#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6f n PRO 40 N 0.00 -0.60 -3.58 0.03 -0.04 -1.26 -4.77 135.00 124.78 1n6f n PRO 40 Ca 0.00 -1.90 -0.24 0.00 -0.04 0.00 0.00 63.50 61.33 1n6f n PRO 40 Cb 0.00 -0.87 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1n6f n PRO 40 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1n6f s ASN 41 N -4.68 4.79 -0.37 3.54 -0.87 -1.26 -4.54 114.94 111.55 1n6f s ASN 41 Ca 0.58 -1.12 -0.06 0.00 -1.57 0.00 0.00 52.86 50.69 1n6f s ASN 41 Cb -0.02 0.41 0.06 0.00 -0.02 0.00 0.00 41.25 41.68 1n6f s ASN 41 CO 0.40 -1.21 0.15 -0.22 -2.57 0.00 0.00 177.10 173.65 1n6f s LEU 42 N -4.43 4.63 0.08 0.60 2.96 -1.18 -4.89 118.68 116.45 1n6f s LEU 42 Ca 0.44 -1.35 -0.04 0.00 -0.22 0.00 0.00 54.13 52.95 1n6f s LEU 42 Cb -0.03 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1n6f s LEU 42 CO 0.28 -0.41 0.30 -0.76 -1.32 0.00 0.00 176.35 174.44 1n6f s LEU 43 N 1.37 4.32 0.22 -0.68 1.43 -0.02 -4.53 118.68 120.79 1n6f s LEU 43 Ca 0.01 0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 53.38 1n6f s LEU 43 Cb -0.21 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.03 1n6f s LEU 43 CO 0.02 0.14 0.86 -1.48 0.23 0.00 0.00 176.35 176.12 1n6f s LEU 44 N -2.34 -0.20 -0.92 1.79 2.34 -0.90 -3.80 118.68 114.66 1n6f s LEU 44 Ca 0.35 -0.53 -0.08 0.00 0.06 0.00 0.00 54.13 53.93 1n6f s LEU 44 Cb -0.13 2.42 0.00 0.00 -0.56 0.00 0.00 46.19 47.93 1n6f s LEU 44 CO 0.23 -1.13 0.67 0.59 -1.06 0.00 0.00 176.35 175.66 1n6f n ASN 45 N -0.53 -5.50 -4.83 1.48 5.03 -1.26 -0.99 115.26 108.65 1n6f n ASN 45 Ca -0.05 -0.83 -0.24 0.00 0.87 0.00 0.00 54.58 54.33 1n6f n ASN 45 Cb 0.60 -2.80 0.08 0.00 -1.02 0.00 0.00 39.78 36.64 1n6f n ASN 45 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1n6f s PRO 46 N -5.03 2.07 -0.02 3.52 0.04 -1.26 -4.17 135.00 130.15 1n6f s PRO 46 Ca 0.16 -0.56 -0.18 0.00 0.04 0.00 0.00 61.00 60.46 1n6f s PRO 46 Cb -0.07 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1n6f s PRO 46 CO 0.87 -1.23 0.37 0.34 0.04 0.00 0.00 177.00 177.39 1n6f s ASP 47 N -4.56 -0.27 0.13 6.66 3.68 -0.08 -4.61 116.67 117.61 1n6f s ASP 47 Ca 0.62 0.19 0.07 0.00 2.13 0.00 0.00 52.55 55.56 1n6f s ASP 47 Cb -0.09 0.35 -0.04 0.00 -1.45 0.00 0.00 42.92 41.69 1n6f s ASP 47 CO 0.44 -0.47 -0.16 -0.51 0.13 0.00 0.00 175.17 174.60 1n6f s ILE 48 N -1.30 1.49 -0.42 4.11 2.07 -1.26 -1.42 121.20 124.48 1n6f s ILE 48 Ca -0.13 -1.77 0.08 0.00 -1.41 0.00 0.00 60.65 57.41 1n6f s ILE 48 Cb -0.04 -1.63 0.18 0.00 0.13 0.00 0.00 42.46 41.10 1n6f s ILE 48 CO 0.05 -0.37 0.64 -2.28 -1.91 0.00 0.00 174.94 171.06 1n6f s HIS 49 N -2.08 -1.71 0.00 3.50 5.65 -0.82 -4.11 115.29 115.72 1n6f s HIS 49 Ca 0.11 0.17 0.00 0.00 0.25 0.00 0.00 55.06 55.59 1n6f s HIS 49 Cb -0.05 0.31 0.00 0.00 -1.18 0.00 0.00 32.58 31.66 1n6f s HIS 49 CO 0.04 -1.19 0.00 0.41 -0.65 0.00 0.00 174.74 173.36 1n6f n GLY 50 N 4.28 2.18 0.32 1.59 0.00 -1.26 -2.66 105.19 109.64 1n6f n GLY 50 Ca 0.12 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1n6f n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n6f n ASP 51 N 9.48 1.56 -4.80 1.61 8.00 -1.26 -4.94 116.55 126.19 1n6f n ASP 51 Ca 0.00 -1.28 -0.38 0.00 0.71 0.00 0.00 54.79 53.84 1n6f n ASP 51 Cb 0.00 0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 1n6f n ASP 51 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1n6f s ARG 52 N -2.24 4.15 -0.14 -1.24 0.52 -1.09 -0.35 118.95 118.57 1n6f s ARG 52 Ca 0.13 0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 55.95 1n6f s ARG 52 Cb 0.14 -3.27 0.04 0.00 0.52 0.00 0.00 34.95 32.39 1n6f s ARG 52 CO 0.53 0.57 0.01 0.42 0.02 0.00 0.00 175.30 176.85 1n6f s ILE 53 N -0.82 0.56 -0.02 1.52 1.01 0.82 -1.94 121.20 122.33 1n6f s ILE 53 Ca 0.28 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 1n6f s ILE 53 Cb -0.18 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1n6f s ILE 53 CO 0.16 0.04 0.23 0.27 0.00 0.00 0.00 174.94 175.64 1n6f s ILE 54 N 1.87 5.37 0.31 2.92 -4.36 -0.50 -0.29 121.20 126.51 1n6f s ILE 54 Ca 0.02 0.11 -0.15 0.00 -0.26 0.00 0.00 60.65 60.37 1n6f s ILE 54 Cb -0.15 -3.53 0.02 0.00 1.25 0.00 0.00 42.46 40.05 1n6f s ILE 54 CO -0.07 0.41 0.64 0.72 0.24 0.00 0.00 174.94 176.87 1n6f s PHE 55 N -1.25 0.22 -0.14 1.37 -0.12 -0.23 -0.91 117.98 116.92 1n6f s PHE 55 Ca 0.25 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.39 1n6f s PHE 55 Cb -0.13 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1n6f s PHE 55 CO 0.15 -1.24 0.09 0.08 -0.05 0.00 0.00 175.22 174.24 1n6f s VAL 56 N -3.42 5.05 -0.13 -2.49 1.01 -0.16 -0.47 120.40 119.79 1n6f s VAL 56 Ca 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1n6f s VAL 56 Cb -0.03 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.19 1n6f s VAL 56 CO 0.11 0.55 0.28 0.00 0.00 0.00 0.00 175.10 176.04 1n6f n ASP 59 N -3.02 0.00 -4.87 0.00 10.43 -1.26 -4.93 116.55 112.90 1n6f n ASP 59 Ca -0.20 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 56.95 1n6f n ASP 59 Cb 0.63 -2.08 -0.03 0.00 1.84 0.00 0.00 41.12 41.49 1n6f n ASP 59 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1n6f s ASP 60 N -2.12 5.21 -0.22 -2.24 -0.00 -0.67 -2.13 116.67 114.51 1n6f s ASP 60 Ca 0.00 -0.58 -0.13 0.00 -0.00 0.00 0.00 52.55 51.84 1n6f s ASP 60 Cb 0.00 -0.81 -0.05 0.00 -0.00 0.00 0.00 42.92 42.06 1n6f s ASP 60 CO 0.00 -0.48 0.25 -0.22 -0.00 0.00 0.00 175.17 174.72 1n6f s LEU 61 N -4.06 4.15 0.31 1.23 0.20 -0.94 -1.29 118.68 118.29 1n6f s LEU 61 Ca 0.44 0.29 0.11 0.00 0.69 0.00 0.00 54.13 55.66 1n6f s LEU 61 Cb -0.05 -2.27 -0.06 0.00 -0.43 0.00 0.00 46.19 43.39 1n6f s LEU 61 CO 0.27 0.03 -0.13 0.26 -0.29 0.00 0.00 176.35 176.49 1n6f s TRP 62 N 1.02 2.37 -0.03 5.38 0.52 0.38 -1.05 118.94 127.52 1n6f s TRP 62 Ca 0.12 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1n6f s TRP 62 Cb -0.14 -1.20 0.00 0.00 -1.15 0.00 0.00 33.47 30.98 1n6f s TRP 62 CO 0.05 0.64 -0.09 -2.00 0.02 0.00 0.00 176.95 175.57 1n6f s GLU 63 N -3.57 0.99 -0.03 4.98 2.12 0.42 -1.07 118.70 122.55 1n6f s GLU 63 Ca 0.31 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.38 1n6f s GLU 63 Cb -0.01 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.45 1n6f s GLU 63 CO 0.16 0.10 -0.15 -1.58 -0.54 0.00 0.00 175.26 173.25 1n6f s HIS 64 N 0.25 1.48 -0.36 5.30 5.65 0.60 -1.21 115.29 127.00 1n6f s HIS 64 Ca -0.04 -0.37 -0.13 0.00 0.25 0.00 0.00 55.06 54.77 1n6f s HIS 64 Cb -0.09 -0.99 0.00 0.00 -1.18 0.00 0.00 32.58 30.32 1n6f s HIS 64 CO 0.01 -0.11 0.24 0.34 -0.65 0.00 0.00 174.74 174.57 1n6f s ASP 65 N -0.06 5.95 0.36 9.88 2.15 -0.67 -0.13 116.67 134.16 1n6f s ASP 65 Ca -0.00 -0.65 0.06 0.00 0.43 0.00 0.00 52.55 52.39 1n6f s ASP 65 Cb -0.09 -2.11 0.75 0.00 -0.30 0.00 0.00 42.92 41.17 1n6f s ASP 65 CO 0.01 -0.31 1.95 -0.07 -0.17 0.00 0.00 175.17 176.58 1n6f h LEU 66 N 8.50 0.66 0.00 -1.34 3.38 -1.03 0.46 115.31 125.93 1n6f h LEU 66 Ca -0.29 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1n6f h LEU 66 Cb 1.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1n6f h LEU 66 CO 0.66 0.42 0.00 1.17 0.09 0.00 0.00 178.44 180.78 1n6f n LYS 67 N -4.48 0.00 -0.07 1.13 4.81 -1.26 -4.08 118.16 114.20 1n6f n LYS 67 Ca 0.11 0.31 -0.02 0.00 -0.87 0.00 0.00 58.31 57.84 1n6f n LYS 67 Cb 0.25 -1.17 0.24 0.00 0.02 0.00 0.00 35.03 34.37 1n6f n LYS 67 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n6f h SER 68 N 0.00 0.64 0.00 3.14 4.64 -1.96 -3.47 113.55 116.54 1n6f h SER 68 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1n6f h SER 68 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1n6f h SER 68 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1n6f n GLY 69 N -0.85 0.75 3.85 -0.77 0.00 0.16 -5.06 105.19 103.27 1n6f n GLY 69 Ca 0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1n6f n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n6f s SER 70 N -2.10 6.73 0.02 1.61 1.04 -1.25 -4.86 113.70 114.90 1n6f s SER 70 Ca 0.00 0.90 0.08 0.00 0.48 0.00 0.00 55.95 57.41 1n6f s SER 70 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.87 1n6f s SER 70 CO 0.00 0.22 -0.23 -0.89 0.98 0.00 0.00 173.24 173.32 1n6f s THR 71 N -1.29 1.85 -0.05 2.02 2.01 -1.26 -1.66 115.64 117.27 1n6f s THR 71 Ca 0.30 -1.18 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 1n6f s THR 71 Cb -0.15 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1n6f s THR 71 CO 0.16 0.36 0.39 0.00 -0.69 0.00 0.00 174.62 174.85 1n6f s ARG 72 N -0.97 0.70 -0.22 4.92 1.70 -0.35 -4.98 118.95 119.74 1n6f s ARG 72 Ca 0.09 0.03 -0.27 0.00 -0.47 0.00 0.00 55.73 55.11 1n6f s ARG 72 Cb -0.09 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1n6f s ARG 72 CO 0.01 -0.18 0.94 0.21 -1.08 0.00 0.00 175.30 175.20 1n6f s LYS 73 N -1.01 4.24 0.04 3.89 2.20 -1.26 -0.43 119.74 127.41 1n6f s LYS 73 Ca -0.11 1.18 0.23 0.00 -0.36 0.00 0.00 55.97 56.91 1n6f s LYS 73 Cb -0.04 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 1n6f s LYS 73 CO 0.05 -0.55 0.91 0.44 -0.36 0.00 0.00 175.35 175.84 1n6f n ILE 74 N 5.21 0.16 -3.64 5.43 -5.35 -0.22 -4.95 119.36 116.01 1n6f n ILE 74 Ca 0.09 -0.29 -0.10 0.00 -0.27 0.00 0.00 62.75 62.18 1n6f n ILE 74 Cb 0.47 0.20 -0.07 0.00 -1.74 0.00 0.00 39.64 38.49 1n6f n ILE 74 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1n6f s VAL 75 N -3.25 -0.00 0.30 7.28 0.11 -1.17 -5.04 120.40 118.63 1n6f s VAL 75 Ca 0.02 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1n6f s VAL 75 Cb 0.14 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 1n6f s VAL 75 CO 0.83 0.00 0.49 -0.94 -3.33 0.00 0.00 175.10 172.15 1n6f s SER 76 N 1.20 0.40 -1.55 3.54 1.04 -1.26 -2.20 113.70 114.87 1n6f s SER 76 Ca -0.07 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.09 1n6f s SER 76 Cb -0.05 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1n6f s SER 76 CO -0.13 -1.26 0.44 -3.20 0.98 0.00 0.00 173.24 170.08 1n6f n ASN 77 N -0.96 -5.69 -0.00 7.02 5.15 -1.26 -4.83 115.26 114.69 1n6f n ASN 77 Ca -0.01 -0.22 0.07 0.00 -0.60 0.00 0.00 54.58 53.83 1n6f n ASN 77 Cb 0.62 -4.64 -0.10 0.00 -0.53 0.00 0.00 39.78 35.13 1n6f n ASN 77 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1n6f n LEU 78 N -3.73 0.28 0.00 1.20 4.77 -1.26 -5.10 117.00 113.16 1n6f n LEU 78 Ca -0.13 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1n6f n LEU 78 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1n6f n LEU 78 CO 0.42 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1n6f n GLY 79 N 1.53 0.31 3.51 -0.72 0.00 -1.26 -4.87 105.19 103.69 1n6f n GLY 79 Ca -0.00 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1n6f n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n6f s VAL 80 N -1.03 5.23 -0.17 1.61 1.01 -0.65 -4.76 120.40 121.64 1n6f s VAL 80 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1n6f s VAL 80 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1n6f s VAL 80 CO 0.00 -0.05 0.39 -0.63 0.00 0.00 0.00 175.10 174.81 1n6f s ILE 81 N 1.71 5.23 0.00 2.22 1.01 -0.91 0.07 121.20 130.53 1n6f s ILE 81 Ca 0.06 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1n6f s ILE 81 Cb -0.18 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1n6f s ILE 81 CO 0.10 0.31 0.00 -0.46 0.00 0.00 0.00 174.94 174.89 1n6f n ASN 82 N 4.05 0.52 -3.72 3.58 2.04 -1.16 -4.69 115.26 115.88 1n6f n ASN 82 Ca -0.09 -0.39 -0.12 0.00 -0.44 0.00 0.00 54.58 53.55 1n6f n ASN 82 Cb 0.51 0.88 -0.12 0.00 -2.53 0.00 0.00 39.78 38.53 1n6f n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1n6f s ASN 83 N -0.98 -0.39 -0.03 0.53 2.47 -1.26 -4.83 114.94 110.45 1n6f s ASN 83 Ca 0.00 0.71 0.00 0.00 0.42 0.00 0.00 52.86 54.00 1n6f s ASN 83 Cb 0.00 0.62 0.03 0.00 -1.45 0.00 0.00 41.25 40.45 1n6f s ASN 83 CO 0.00 -0.17 0.01 0.00 -3.72 0.00 0.00 177.10 173.22 1n6f s ALA 84 N 1.12 0.28 -0.09 1.71 0.00 -1.26 -1.36 121.76 122.16 1n6f s ALA 84 Ca -0.08 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1n6f s ALA 84 Cb -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1n6f s ALA 84 CO -0.09 -0.12 -0.14 1.03 0.00 0.00 0.00 175.76 176.45 1n6f s ARG 85 N 1.12 1.97 0.26 0.00 1.81 0.27 -4.62 118.95 119.77 1n6f s ARG 85 Ca -0.08 -0.49 -0.29 0.00 -1.72 0.00 0.00 55.73 53.14 1n6f s ARG 85 Cb -0.13 -1.65 -0.09 0.00 -0.45 0.00 0.00 34.95 32.62 1n6f s ARG 85 CO -0.02 -0.01 1.19 -0.06 -0.68 0.00 0.00 175.30 175.72 1n6f s PHE 86 N 0.82 3.39 1.01 -0.53 2.99 -1.26 -1.10 117.98 123.30 1n6f s PHE 86 Ca -0.11 1.53 -0.17 0.00 0.00 0.00 0.00 56.93 58.18 1n6f s PHE 86 Cb -0.15 -3.44 0.22 0.00 0.00 0.00 0.00 43.02 39.65 1n6f s PHE 86 CO 0.02 -1.13 1.29 -0.06 -0.00 0.00 0.00 175.22 175.34 1n6f s PHE 87 N -0.79 1.32 0.06 0.36 0.40 -1.01 -4.91 117.98 113.41 1n6f s PHE 87 Ca 0.48 0.33 -0.32 0.00 -0.60 0.00 0.00 56.93 56.82 1n6f s PHE 87 Cb -0.34 -4.02 -0.19 0.00 0.51 0.00 0.00 43.02 38.98 1n6f s PHE 87 CO 0.43 -2.92 1.58 -1.00 0.70 0.00 0.00 175.22 174.00 1n6f h PRO 88 N -1.85 -0.83 0.00 0.24 0.13 -1.91 -2.33 132.00 125.45 1n6f h PRO 88 Ca -0.44 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1n6f h PRO 88 Cb 1.24 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1n6f h PRO 88 CO 0.36 -0.54 0.00 -0.40 -0.23 0.00 0.00 178.00 177.19 1n6f n ASP 89 N -5.45 0.00 -0.01 1.44 3.85 -1.26 -4.78 116.55 110.34 1n6f n ASP 89 Ca -0.13 0.08 -0.00 0.00 -0.71 0.00 0.00 54.79 54.03 1n6f n ASP 89 Cb 0.36 -0.15 -0.00 0.00 -1.35 0.00 0.00 41.12 39.97 1n6f n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n6f n GLY 90 N -0.91 0.15 0.02 6.12 0.00 -0.88 -4.87 105.19 104.83 1n6f n GLY 90 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1n6f n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f n ARG 91 N -0.14 0.16 -1.86 1.61 5.12 -1.26 -4.88 116.66 115.40 1n6f n ARG 91 Ca -0.00 0.34 -0.30 0.00 -1.93 0.00 0.00 57.85 55.96 1n6f n ARG 91 Cb 0.36 -1.08 0.06 0.00 -1.16 0.00 0.00 32.46 30.65 1n6f n ARG 91 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1n6f s LYS 92 N -1.44 2.52 -0.06 5.56 1.02 -1.26 -3.22 119.74 122.86 1n6f s LYS 92 Ca -0.05 0.37 -0.02 0.00 0.02 0.00 0.00 55.97 56.28 1n6f s LYS 92 Cb 0.01 -1.99 0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1n6f s LYS 92 CO 0.08 -1.25 0.12 0.42 -0.92 0.00 0.00 175.35 173.79 1n6f s ILE 93 N -3.41 -0.14 -0.06 2.17 1.01 0.43 -2.39 121.20 118.80 1n6f s ILE 93 Ca 0.60 0.29 -0.24 0.00 0.00 0.00 0.00 60.65 61.30 1n6f s ILE 93 Cb -0.11 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1n6f s ILE 93 CO 0.51 0.12 0.74 0.00 0.00 0.00 0.00 174.94 176.32 1n6f s ALA 94 N 1.74 3.32 0.01 9.38 0.00 -0.26 -0.66 121.76 135.29 1n6f s ALA 94 Ca -0.02 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1n6f s ALA 94 Cb -0.12 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1n6f s ALA 94 CO -0.05 -0.14 -0.18 0.42 0.00 0.00 0.00 175.76 175.81 1n6f s ILE 95 N 0.88 1.43 -0.18 0.00 1.01 0.98 -0.56 121.20 124.75 1n6f s ILE 95 Ca 0.40 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1n6f s ILE 95 Cb -0.18 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1n6f s ILE 95 CO 0.19 0.30 -0.01 -0.60 0.00 0.00 0.00 174.94 174.82 1n6f s ARG 96 N -0.69 3.65 -0.01 2.79 3.52 -0.46 -0.85 118.95 126.89 1n6f s ARG 96 Ca 0.06 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1n6f s ARG 96 Cb -0.07 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1n6f s ARG 96 CO 0.00 0.10 -0.15 0.54 -0.81 0.00 0.00 175.30 174.98 1n6f s VAL 97 N 0.76 1.23 -0.08 7.11 0.11 -0.75 -2.99 120.40 125.78 1n6f s VAL 97 Ca -0.00 -0.66 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1n6f s VAL 97 Cb -0.14 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1n6f s VAL 97 CO 0.02 0.35 0.08 -0.04 -3.33 0.00 0.00 175.10 172.18 1n6f s MET 98 N -0.33 3.21 0.25 1.54 -1.94 0.11 -2.02 119.30 120.12 1n6f s MET 98 Ca 0.05 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 1n6f s MET 98 Cb -0.06 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 1n6f s MET 98 CO -0.00 0.72 0.10 1.03 -0.01 0.00 0.00 175.02 176.85 1n6f s ARG 99 N -1.19 1.40 0.00 2.03 0.52 -0.18 -1.64 118.95 119.89 1n6f s ARG 99 Ca 0.17 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 1n6f s ARG 99 Cb -0.12 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.12 1n6f s ARG 99 CO 0.06 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.50 1n6f n GLY 100 N -0.45 0.56 0.33 -3.53 0.00 -0.83 -2.52 105.19 98.74 1n6f n GLY 100 Ca 0.00 -1.51 0.21 0.00 0.00 0.00 0.00 46.02 44.72 1n6f n GLY 100 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1n6f h SER 101 N 0.00 0.31 -0.45 1.61 0.87 -1.74 0.97 113.55 115.12 1n6f h SER 101 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1n6f h SER 101 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1n6f h SER 101 CO 0.00 -0.18 0.00 -1.20 -0.53 0.00 0.00 176.83 174.92 1n6f n SER 102 N -5.14 3.92 -3.47 6.23 7.64 -1.25 -0.39 113.62 121.16 1n6f n SER 102 Ca 0.29 -2.44 -0.18 0.00 1.01 0.00 0.00 58.87 57.55 1n6f n SER 102 Cb 0.93 -0.45 0.08 0.00 -1.01 0.00 0.00 64.21 63.76 1n6f n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n6f n LEU 103 N 0.52 -3.89 0.06 -3.43 4.77 0.33 -4.85 117.00 110.51 1n6f n LEU 103 Ca 0.20 -0.62 0.12 0.00 -0.03 0.00 0.00 56.01 55.68 1n6f n LEU 103 Cb 0.73 -3.09 0.26 0.00 -2.33 0.00 0.00 43.42 39.00 1n6f n LEU 103 CO 0.16 0.42 0.52 -0.46 -1.33 0.00 0.00 177.39 176.70 1n6f n ASN 104 N -3.11 0.65 -4.37 -1.43 0.23 -1.15 -4.52 115.26 101.56 1n6f n ASN 104 Ca -0.25 0.20 -0.23 0.00 -0.53 0.00 0.00 54.58 53.77 1n6f n ASN 104 Cb 0.65 -0.08 -0.11 0.00 -2.08 0.00 0.00 39.78 38.16 1n6f n ASN 104 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n6f s THR 105 N -3.12 2.01 0.07 5.53 -4.23 -1.05 -1.38 115.64 113.47 1n6f s THR 105 Ca 0.08 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1n6f s THR 105 Cb 0.14 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 72.07 1n6f s THR 105 CO 0.68 -0.26 0.39 0.00 -0.54 0.00 0.00 174.62 174.89 1n6f s ALA 106 N -1.96 -0.93 0.25 3.99 0.00 -0.48 -1.01 121.76 121.61 1n6f s ALA 106 Ca 0.18 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.07 1n6f s ALA 106 Cb -0.06 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.55 1n6f s ALA 106 CO 0.08 -0.52 0.67 -0.51 0.00 0.00 0.00 175.76 175.48 1n6f s ASP 107 N -2.31 -0.29 -0.02 0.00 -0.00 -0.86 -2.04 116.67 111.16 1n6f s ASP 107 Ca -0.02 -0.55 0.01 0.00 -0.00 0.00 0.00 52.55 51.99 1n6f s ASP 107 Cb 0.00 0.69 -0.04 0.00 -0.00 0.00 0.00 42.92 43.57 1n6f s ASP 107 CO -0.06 -1.26 0.01 -0.76 -0.00 0.00 0.00 175.17 173.11 1n6f s LEU 108 N -2.90 3.59 0.14 1.23 1.43 -1.26 -1.82 118.68 119.09 1n6f s LEU 108 Ca 0.11 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1n6f s LEU 108 Cb -0.04 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1n6f s LEU 108 CO 0.04 0.30 -0.15 -0.31 0.23 0.00 0.00 176.35 176.45 1n6f s TYR 109 N -1.07 1.55 -0.11 0.29 1.51 -0.03 -0.16 117.35 119.32 1n6f s TYR 109 Ca 0.19 -0.54 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1n6f s TYR 109 Cb -0.12 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1n6f s TYR 109 CO 0.09 0.21 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.60 1n6f s PHE 110 N -2.25 2.90 -0.07 2.71 2.99 0.16 -0.01 117.98 124.41 1n6f s PHE 110 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 56.93 56.81 1n6f s PHE 110 Cb -0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 43.02 41.15 1n6f s PHE 110 CO 0.04 0.05 -0.20 -0.47 -0.00 0.00 0.00 175.22 174.64 1n6f s TYR 111 N -0.11 2.59 -0.30 0.36 5.04 0.17 -1.44 117.35 123.66 1n6f s TYR 111 Ca 0.00 -0.55 0.01 0.00 -2.44 0.00 0.00 57.07 54.10 1n6f s TYR 111 Cb -0.13 -1.66 0.07 0.00 0.35 0.00 0.00 41.96 40.59 1n6f s TYR 111 CO 0.03 -0.10 -0.03 1.21 -1.34 0.00 0.00 175.55 175.32 1n6f s ASN 112 N -0.22 4.70 0.00 4.32 2.47 -0.16 -0.43 114.94 125.63 1n6f s ASN 112 Ca -0.01 -1.52 0.09 0.00 0.42 0.00 0.00 52.86 51.84 1n6f s ASN 112 Cb -0.13 -1.64 0.44 0.00 -1.45 0.00 0.00 41.25 38.47 1n6f s ASN 112 CO 0.03 -0.27 1.18 0.61 -3.72 0.00 0.00 177.10 174.94 1n6f n GLY 113 N 4.48 -0.62 0.12 1.21 0.00 -1.20 -0.28 105.19 108.90 1n6f n GLY 113 Ca -0.10 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1n6f n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n6f h GLU 114 N 0.00 0.32 0.00 1.61 4.81 -1.93 -3.38 114.58 116.01 1n6f h GLU 114 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1n6f h GLU 114 Cb 0.10 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1n6f h GLU 114 CO 0.00 1.10 0.00 0.27 -0.73 0.00 0.00 179.01 179.65 1n6f n ASN 115 N -4.26 1.29 -0.61 1.04 0.23 -1.13 -4.99 115.26 106.83 1n6f n ASN 115 Ca -0.11 -1.38 -0.08 0.00 -0.53 0.00 0.00 54.58 52.48 1n6f n ASN 115 Cb 0.67 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.34 1n6f n ASN 115 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n6f n GLY 116 N -0.19 0.97 3.75 4.83 0.00 0.61 -4.98 105.19 110.18 1n6f n GLY 116 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1n6f n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n6f s GLU 117 N -2.46 4.56 0.04 1.61 2.12 -1.13 -4.82 118.70 118.61 1n6f s GLU 117 Ca 0.00 1.88 0.07 0.00 0.36 0.00 0.00 54.97 57.28 1n6f s GLU 117 Cb 0.00 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 1n6f s GLU 117 CO 0.00 0.07 -0.21 -1.50 -0.54 0.00 0.00 175.26 173.08 1n6f s ILE 118 N -0.80 1.69 -0.25 -3.70 1.10 -1.26 -0.99 121.20 116.98 1n6f s ILE 118 Ca 0.48 -1.19 -0.23 0.00 -0.51 0.00 0.00 60.65 59.20 1n6f s ILE 118 Cb -0.33 -1.46 0.07 0.00 0.15 0.00 0.00 42.46 40.88 1n6f s ILE 118 CO 0.41 0.23 0.67 -0.75 -2.11 0.00 0.00 174.94 173.39 1n6f s LYS 119 N -1.13 0.78 -0.00 3.50 2.20 -0.52 -4.98 119.74 119.58 1n6f s LYS 119 Ca 0.08 0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 56.36 1n6f s LYS 119 Cb -0.09 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1n6f s LYS 119 CO 0.02 -0.10 0.88 0.50 -0.36 0.00 0.00 175.35 176.29 1n6f s ARG 120 N 0.43 4.53 -0.23 4.03 3.52 -1.26 0.39 118.95 130.35 1n6f s ARG 120 Ca -0.01 1.24 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 1n6f s ARG 120 Cb -0.05 -3.44 -0.16 0.00 -1.56 0.00 0.00 34.95 29.74 1n6f s ARG 120 CO -0.00 0.04 -0.19 -0.89 -0.81 0.00 0.00 175.30 173.45 1n6f n ILE 121 N 3.65 1.36 -4.48 4.11 -0.00 0.78 -4.92 119.36 119.85 1n6f n ILE 121 Ca 0.03 -0.54 -0.31 0.00 -0.00 0.00 0.00 62.75 61.92 1n6f n ILE 121 Cb 0.51 -1.28 -0.11 0.00 -0.00 0.00 0.00 39.64 38.76 1n6f n ILE 121 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1n6f s THR 122 N -2.47 3.22 -0.30 1.39 -4.23 -1.14 -4.28 115.64 107.82 1n6f s THR 122 Ca -0.30 -1.08 0.16 0.00 -1.18 0.00 0.00 61.69 59.28 1n6f s THR 122 Cb 0.08 -2.41 0.48 0.00 1.34 0.00 0.00 72.50 71.99 1n6f s THR 122 CO 0.57 0.29 1.11 -1.22 -0.54 0.00 0.00 174.62 174.83 1n6f n TYR 123 N 1.32 1.91 0.07 3.99 4.02 -1.26 -4.39 117.16 122.83 1n6f n TYR 123 Ca -0.15 -2.37 0.01 0.00 -0.01 0.00 0.00 57.90 55.37 1n6f n TYR 123 Cb 0.52 -0.27 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 1n6f n TYR 123 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1n6f h PHE 124 N 2.54 0.00 -5.99 -0.72 0.05 -1.87 -3.41 116.94 107.55 1n6f h PHE 124 Ca 0.06 0.00 -0.40 0.00 3.82 0.00 0.00 57.97 61.45 1n6f h PHE 124 Cb 1.30 0.00 0.08 0.00 2.00 0.00 0.00 35.95 39.33 1n6f h PHE 124 CO 0.64 0.56 -0.79 0.45 -0.18 0.00 0.00 178.31 179.00 1n6f n SER 125 N -3.02 -2.62 -4.64 2.17 2.88 -1.25 -4.72 113.62 102.42 1n6f n SER 125 Ca -0.05 -0.73 -0.45 0.00 -1.33 0.00 0.00 58.87 56.31 1n6f n SER 125 Cb 0.81 -4.41 -0.02 0.00 -0.75 0.00 0.00 64.21 59.83 1n6f n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n6f n GLY 126 N -1.54 0.33 3.77 0.46 0.00 -0.87 -4.60 105.19 102.75 1n6f n GLY 126 Ca -0.20 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1n6f n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 127 N -1.06 4.70 0.07 1.61 1.02 -1.26 -1.38 119.74 123.44 1n6f s LYS 127 Ca 0.63 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.87 1n6f s LYS 127 Cb -0.68 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 33.55 1n6f s LYS 127 CO 0.56 0.44 0.25 -1.54 -0.92 0.00 0.00 175.35 174.14 1n6f s SER 128 N -1.35 -0.01 0.36 2.83 1.04 -0.48 -4.43 113.70 111.67 1n6f s SER 128 Ca 0.43 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.49 1n6f s SER 128 Cb -0.23 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1n6f s SER 128 CO 0.28 -0.69 0.24 0.35 0.98 0.00 0.00 173.24 174.40 1n6f n THR 129 N 0.20 0.00 -0.05 2.02 -2.24 -1.10 -4.28 114.28 108.83 1n6f n THR 129 Ca -0.17 -2.42 -0.09 0.00 -2.27 0.00 0.00 64.05 59.10 1n6f n THR 129 Cb 0.61 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1n6f n THR 129 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n6f h GLY 130 N 1.90 0.27 1.11 3.38 0.00 -1.90 -3.05 103.07 104.78 1n6f h GLY 130 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1n6f h GLY 130 CO 0.40 0.05 -0.45 -0.96 0.00 0.00 0.00 176.54 175.58 1n6f n ARG 131 N -5.01 0.01 -3.29 4.80 1.85 -1.26 -4.39 116.66 109.36 1n6f n ARG 131 Ca -0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.57 1n6f n ARG 131 Cb 0.06 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.90 1n6f n ARG 131 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1n6f n ARG 132 N -1.52 1.66 -1.68 2.89 1.74 -1.16 -4.99 116.66 113.60 1n6f n ARG 132 Ca 0.06 -3.97 -0.42 0.00 -0.77 0.00 0.00 57.85 52.75 1n6f n ARG 132 Cb 0.34 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1n6f n ARG 132 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1n6f n MET 133 N 1.06 2.69 -1.34 5.56 2.81 -1.19 -2.72 117.12 123.99 1n6f n MET 133 Ca 0.26 -2.53 -0.29 0.00 -1.81 0.00 0.00 57.70 53.33 1n6f n MET 133 Cb 0.47 -3.25 0.18 0.00 -0.71 0.00 0.00 33.22 29.91 1n6f n MET 133 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1n6f s PHE 134 N 3.47 1.76 -0.34 2.03 2.99 -1.26 -4.64 117.98 122.00 1n6f s PHE 134 Ca 0.49 0.74 -0.12 0.00 0.00 0.00 0.00 56.93 58.04 1n6f s PHE 134 Cb 0.14 -3.44 0.01 0.00 0.00 0.00 0.00 43.02 39.73 1n6f s PHE 134 CO -0.06 -2.98 0.43 2.41 -0.00 0.00 0.00 175.22 175.03 1n6f n THR 135 N -4.17 -9.46 -4.05 0.64 -1.04 -0.96 -4.86 114.28 90.37 1n6f n THR 135 Ca 0.09 0.81 -0.13 0.00 -2.04 0.00 0.00 64.05 62.77 1n6f n THR 135 Cb 0.59 -6.65 -0.04 0.00 -1.82 0.00 0.00 70.33 62.41 1n6f n THR 135 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1n6f n ASP 136 N -0.24 -0.96 -4.72 8.00 4.64 -0.47 -4.77 116.55 118.03 1n6f n ASP 136 Ca 0.09 -2.63 -0.41 0.00 -1.38 0.00 0.00 54.79 50.45 1n6f n ASP 136 Cb 0.33 1.88 -0.04 0.00 -1.04 0.00 0.00 41.12 42.25 1n6f n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1n6f s VAL 137 N -2.86 4.42 -0.22 5.18 1.01 -1.26 -1.09 120.40 125.58 1n6f s VAL 137 Ca 0.27 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 64.11 1n6f s VAL 137 Cb -0.00 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1n6f s VAL 137 CO 0.19 0.25 -0.06 0.00 0.00 0.00 0.00 175.10 175.47 1n6f n ALA 138 N 3.12 1.20 0.00 5.51 0.00 0.14 -4.76 120.51 125.72 1n6f n ALA 138 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1n6f n ALA 138 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1n6f n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 139 N 1.95 -0.82 2.97 0.00 0.00 -0.74 -2.16 105.19 106.39 1n6f n GLY 139 Ca -0.43 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 1n6f n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n6f s PHE 140 N -3.00 0.97 0.88 1.61 0.40 -1.26 -0.54 117.98 117.04 1n6f s PHE 140 Ca 0.00 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 1n6f s PHE 140 Cb 0.00 -0.73 0.12 0.00 0.51 0.00 0.00 43.02 42.92 1n6f s PHE 140 CO 0.00 -0.15 1.12 0.16 0.70 0.00 0.00 175.22 177.05 1n6f s ASP 141 N 0.45 3.76 0.50 1.36 3.84 -0.07 -4.72 116.67 121.79 1n6f s ASP 141 Ca -0.07 1.08 0.24 0.00 -0.00 0.00 0.00 52.55 53.81 1n6f s ASP 141 Cb -0.11 -1.71 1.33 0.00 -1.38 0.00 0.00 42.92 41.04 1n6f s ASP 141 CO 0.01 -2.41 1.95 -0.65 -0.00 0.00 0.00 175.17 174.07 1n6f h PRO 142 N -1.40 0.11 0.00 2.11 0.11 -1.98 0.14 132.00 131.09 1n6f h PRO 142 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n6f h PRO 142 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1n6f h PRO 142 CO 0.61 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 1n6f n ASP 143 N -4.38 0.00 0.00 -2.05 10.43 -1.26 -4.87 116.55 114.42 1n6f n ASP 143 Ca 0.13 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.38 1n6f n ASP 143 Cb 0.68 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.64 1n6f n ASP 143 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6f n GLY 144 N 0.81 0.57 3.84 0.44 0.00 0.49 -5.04 105.19 106.30 1n6f n GLY 144 Ca 0.19 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1n6f n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n6f s ASN 145 N -2.37 6.85 0.11 1.61 -0.87 -1.25 -4.77 114.94 114.24 1n6f s ASN 145 Ca 0.00 1.11 -0.30 0.00 -1.57 0.00 0.00 52.86 52.10 1n6f s ASN 145 Cb 0.00 -2.30 -0.06 0.00 -0.02 0.00 0.00 41.25 38.87 1n6f s ASN 145 CO 0.00 0.10 1.15 -0.22 -2.57 0.00 0.00 177.10 175.56 1n6f s LEU 146 N -1.95 4.42 -0.21 0.60 2.96 -1.26 -0.90 118.68 122.34 1n6f s LEU 146 Ca 0.38 2.04 -0.01 0.00 -0.22 0.00 0.00 54.13 56.32 1n6f s LEU 146 Cb -0.15 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1n6f s LEU 146 CO 0.19 -0.37 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.11 1n6f s ILE 147 N 0.52 2.71 0.29 6.68 -1.09 0.30 -1.07 121.20 129.54 1n6f s ILE 147 Ca 0.55 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 58.24 1n6f s ILE 147 Cb -0.29 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 1n6f s ILE 147 CO 0.32 0.42 0.25 0.27 -1.23 0.00 0.00 174.94 174.97 1n6f s ILE 148 N 1.37 4.06 -0.22 2.92 -4.36 0.10 0.25 121.20 125.32 1n6f s ILE 148 Ca 0.04 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 1n6f s ILE 148 Cb -0.14 -3.32 0.05 0.00 1.25 0.00 0.00 42.46 40.30 1n6f s ILE 148 CO -0.08 -0.27 -0.10 -0.55 0.24 0.00 0.00 174.94 174.18 1n6f s SER 149 N -3.92 3.74 0.06 4.36 0.15 -0.25 -0.41 113.70 117.44 1n6f s SER 149 Ca 0.37 -1.06 -0.08 0.00 0.70 0.00 0.00 55.95 55.87 1n6f s SER 149 Cb -0.07 -1.32 -0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1n6f s SER 149 CO 0.26 -0.17 0.16 0.28 1.20 0.00 0.00 173.24 174.98 1n6f s THR 150 N 1.31 0.14 -0.54 6.45 -1.32 -0.87 -1.36 115.64 119.45 1n6f s THR 150 Ca -0.04 -1.13 0.06 0.00 -1.21 0.00 0.00 61.69 59.36 1n6f s THR 150 Cb -0.18 -1.17 0.13 0.00 -1.51 0.00 0.00 72.50 69.77 1n6f s THR 150 CO -0.07 -0.63 1.01 -0.90 -2.21 0.00 0.00 174.62 171.82 1n6f n ASP 151 N 0.27 2.21 -0.30 8.08 5.75 -1.26 -1.68 116.55 129.62 1n6f n ASP 151 Ca -0.17 -1.80 0.14 0.00 -0.01 0.00 0.00 54.79 52.95 1n6f n ASP 151 Cb 0.61 -0.09 0.31 0.00 -1.03 0.00 0.00 41.12 40.92 1n6f n ASP 151 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n6f h ALA 152 N 1.06 1.41 -0.79 2.12 0.00 -1.93 0.52 119.26 121.65 1n6f h ALA 152 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 54.91 54.66 1n6f h ALA 152 Cb 0.52 0.21 -0.25 0.00 0.00 0.00 0.00 17.79 18.26 1n6f h ALA 152 CO 0.00 -0.40 0.41 -1.33 0.00 0.00 0.00 179.25 177.93 1n6f n MET 153 N -5.11 2.20 -4.44 0.00 2.81 -1.26 -4.93 117.12 106.39 1n6f n MET 153 Ca 0.22 -3.13 -0.26 0.00 -1.81 0.00 0.00 57.70 52.73 1n6f n MET 153 Cb 0.68 -2.08 -0.11 0.00 -0.71 0.00 0.00 33.22 31.00 1n6f n MET 153 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1n6f s GLN 154 N -3.35 1.61 0.23 0.03 -1.52 0.17 -5.04 119.66 111.79 1n6f s GLN 154 Ca 0.54 -1.64 -0.01 0.00 -1.95 0.00 0.00 55.36 52.30 1n6f s GLN 154 Cb 0.46 -1.82 0.24 0.00 -0.22 0.00 0.00 33.01 31.68 1n6f s GLN 154 CO 0.06 0.37 1.62 -1.00 -0.25 0.00 0.00 175.29 176.09 1n6f h PRO 155 N 2.75 0.59 -6.62 2.91 0.13 -1.86 -3.45 132.00 126.46 1n6f h PRO 155 Ca -0.43 -0.27 -0.69 0.00 -0.87 0.00 0.00 66.00 63.74 1n6f h PRO 155 Cb 1.23 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1n6f h PRO 155 CO 0.54 0.85 -0.82 -0.06 -0.23 0.00 0.00 178.00 178.28 1n6f s PHE 156 N -4.36 2.51 0.20 1.56 0.40 -1.26 -4.71 117.98 112.33 1n6f s PHE 156 Ca -0.08 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 55.88 1n6f s PHE 156 Cb 0.13 -1.44 0.14 0.00 0.51 0.00 0.00 43.02 42.36 1n6f s PHE 156 CO 0.82 0.24 1.79 0.66 0.70 0.00 0.00 175.22 179.44 1n6f h SER 157 N 4.51 0.99 0.00 1.36 4.64 -1.89 -1.84 113.55 121.32 1n6f h SER 157 Ca -0.48 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1n6f h SER 157 Cb 1.15 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1n6f h SER 157 CO 0.47 0.85 0.09 0.28 -0.87 0.00 0.00 176.83 177.64 1n6f h SER 158 N 1.07 0.00 0.00 4.97 0.02 -1.97 -3.28 113.55 114.36 1n6f h SER 158 Ca 0.26 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.59 1n6f h SER 158 Cb 0.12 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.69 1n6f h SER 158 CO -0.03 0.00 3.66 0.23 -1.14 0.00 0.00 176.83 179.55 1n6f n MET 159 N -2.97 3.44 -2.34 3.45 2.81 -0.69 -4.84 117.12 115.98 1n6f n MET 159 Ca -0.03 -2.09 -0.36 0.00 -1.81 0.00 0.00 57.70 53.42 1n6f n MET 159 Cb 0.15 -2.75 -0.03 0.00 -0.71 0.00 0.00 33.22 29.88 1n6f n MET 159 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1n6f s THR 160 N 2.38 3.84 0.58 2.03 -4.23 -1.24 -4.23 115.64 114.78 1n6f s THR 160 Ca 0.65 -1.43 -0.17 0.00 -1.18 0.00 0.00 61.69 59.56 1n6f s THR 160 Cb 0.17 -4.90 -0.04 0.00 1.34 0.00 0.00 72.50 69.07 1n6f s THR 160 CO -0.06 -1.54 1.08 0.00 -0.54 0.00 0.00 174.62 173.57 1n6f s LEU 162 N -4.31 4.43 0.02 0.00 1.43 -1.26 -2.06 118.68 116.95 1n6f s LEU 162 Ca 0.66 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 1n6f s LEU 162 Cb -0.18 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1n6f s LEU 162 CO 0.34 0.11 -0.06 -0.31 0.23 0.00 0.00 176.35 176.65 1n6f s TYR 163 N -0.28 0.56 -0.25 0.29 2.02 0.46 -1.66 117.35 118.48 1n6f s TYR 163 Ca 0.32 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 1n6f s TYR 163 Cb -0.19 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 1n6f s TYR 163 CO 0.18 -0.06 0.29 0.50 -1.57 0.00 0.00 175.55 174.89 1n6f s ARG 164 N -1.07 4.05 0.10 -0.62 3.52 0.48 0.03 118.95 125.44 1n6f s ARG 164 Ca -0.06 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.17 1n6f s ARG 164 Cb -0.07 -3.61 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 1n6f s ARG 164 CO 0.00 -0.13 1.12 0.08 -0.81 0.00 0.00 175.30 175.56 1n6f s VAL 165 N 1.63 4.10 -0.01 7.11 1.01 -0.23 -1.95 120.40 132.06 1n6f s VAL 165 Ca 0.12 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1n6f s VAL 165 Cb -0.15 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1n6f s VAL 165 CO 0.09 0.19 -0.12 -1.61 0.00 0.00 0.00 175.10 173.65 1n6f s GLU 166 N 0.43 0.99 -1.38 2.72 2.02 -0.81 -4.58 118.70 118.09 1n6f s GLU 166 Ca 0.54 -0.43 -0.06 0.00 0.02 0.00 0.00 54.97 55.03 1n6f s GLU 166 Cb -0.28 -0.95 0.03 0.00 0.10 0.00 0.00 34.13 33.03 1n6f s GLU 166 CO 0.31 0.26 0.94 0.09 0.02 0.00 0.00 175.26 176.88 1n6f n ASN 167 N 2.80 -3.60 -2.09 -0.19 3.02 -1.26 -1.52 115.26 112.41 1n6f n ASN 167 Ca -0.14 -0.72 -0.20 0.00 -0.03 0.00 0.00 54.58 53.49 1n6f n ASN 167 Cb 0.56 -4.38 -0.04 0.00 -0.61 0.00 0.00 39.78 35.31 1n6f n ASN 167 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n6f n ASP 168 N -2.99 -5.63 0.00 6.41 10.43 -1.26 -2.70 116.55 120.81 1n6f n ASP 168 Ca -0.12 0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.43 1n6f n ASP 168 Cb 0.60 -4.80 0.00 0.00 1.84 0.00 0.00 41.12 38.76 1n6f n ASP 168 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6f n GLY 169 N -0.77 1.09 0.15 0.44 0.00 -0.70 -4.51 105.19 100.90 1n6f n GLY 169 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1n6f n GLY 169 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n6f h ILE 170 N 0.00 1.29 -3.92 -0.61 1.08 -1.06 -3.46 117.51 110.83 1n6f h ILE 170 Ca 0.00 -1.06 -0.24 0.00 -0.39 0.00 0.00 64.86 63.16 1n6f h ILE 170 Cb 0.00 1.53 -0.18 0.00 -3.07 0.00 0.00 36.82 35.09 1n6f h ILE 170 CO 0.00 0.33 -0.72 0.21 -0.69 0.00 0.00 178.15 177.28 1n6f s ASN 171 N -6.04 0.93 -0.10 1.72 2.47 -1.15 -4.71 114.94 108.06 1n6f s ASN 171 Ca -0.14 -0.74 0.00 0.00 0.42 0.00 0.00 52.86 52.41 1n6f s ASN 171 Cb 0.07 0.07 0.02 0.00 -1.45 0.00 0.00 41.25 39.96 1n6f s ASN 171 CO 0.75 -0.32 -0.09 -0.36 -3.72 0.00 0.00 177.10 173.36 1n6f s PHE 172 N -2.35 1.45 -0.26 0.43 0.40 -1.26 -1.93 117.98 114.46 1n6f s PHE 172 Ca -0.01 -0.67 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 1n6f s PHE 172 Cb -0.03 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1n6f s PHE 172 CO -0.02 -0.44 0.13 0.08 0.70 0.00 0.00 175.22 175.67 1n6f s VAL 173 N 1.40 4.85 0.25 -0.44 1.01 -0.82 -4.90 120.40 121.75 1n6f s VAL 173 Ca -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1n6f s VAL 173 Cb -0.13 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 1n6f s VAL 173 CO -0.05 0.30 1.23 -2.16 0.00 0.00 0.00 175.10 174.43 1n6f s PRO 174 N 1.61 4.46 0.00 2.72 0.04 -1.26 -0.39 135.00 142.19 1n6f s PRO 174 Ca 0.07 2.00 0.26 0.00 0.04 0.00 0.00 61.00 63.36 1n6f s PRO 174 Cb -0.15 -3.17 0.72 0.00 0.04 0.00 0.00 34.50 31.93 1n6f s PRO 174 CO 0.07 -0.09 1.54 1.28 0.04 0.00 0.00 177.00 179.85 1n6f n LEU 175 N 1.78 1.18 -4.35 -3.56 4.77 -0.66 -4.92 117.00 111.24 1n6f n LEU 175 Ca 0.02 -0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.33 1n6f n LEU 175 Cb 0.43 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1n6f n LEU 175 CO 0.57 0.22 -0.40 0.59 -1.33 0.00 0.00 177.39 177.03 1n6f n ASN 176 N -0.49 0.33 -0.67 -1.43 4.13 -1.26 -4.82 115.26 111.05 1n6f n ASN 176 Ca 0.13 -1.26 0.07 0.00 1.68 0.00 0.00 54.58 55.20 1n6f n ASN 176 Cb 0.36 -1.57 0.11 0.00 -1.54 0.00 0.00 39.78 37.13 1n6f n ASN 176 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1n6f n LEU 177 N -4.43 2.54 0.00 3.41 4.77 -1.26 -2.75 117.00 119.28 1n6f n LEU 177 Ca -0.23 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1n6f n LEU 177 Cb 0.64 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1n6f n LEU 177 CO 0.87 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1n6f n GLY 178 N 0.84 -0.50 3.74 -0.72 0.00 -1.26 -4.36 105.19 102.93 1n6f n GLY 178 Ca 0.11 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1n6f n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n6f n PRO 179 N -0.53 2.62 -3.69 1.61 -0.04 -1.26 -4.10 135.00 129.61 1n6f n PRO 179 Ca 0.00 0.93 -0.13 0.00 -0.04 0.00 0.00 63.50 64.25 1n6f n PRO 179 Cb 0.00 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 30.71 1n6f n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n6f s ALA 180 N -0.32 -0.99 -0.12 0.55 0.00 -0.61 -4.82 121.76 115.46 1n6f s ALA 180 Ca 0.61 0.38 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1n6f s ALA 180 Cb -0.51 0.23 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 1n6f s ALA 180 CO 0.53 -0.39 -0.04 2.41 0.00 0.00 0.00 175.76 178.27 1n6f n THR 181 N 0.76 0.72 -4.20 0.00 -1.04 0.10 -4.74 114.28 105.90 1n6f n THR 181 Ca -0.19 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.05 61.28 1n6f n THR 181 Cb 0.58 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 68.13 1n6f n THR 181 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1n6f s HIS 182 N -2.25 0.93 -0.06 -1.42 3.76 -1.00 -4.56 115.29 110.68 1n6f s HIS 182 Ca -0.11 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 1n6f s HIS 182 Cb 0.04 -0.55 0.03 0.00 1.11 0.00 0.00 32.58 33.20 1n6f s HIS 182 CO 0.36 -0.01 0.00 -1.50 -0.85 0.00 0.00 174.74 172.75 1n6f s ILE 183 N -0.99 0.34 0.16 0.60 1.10 -0.92 -0.46 121.20 121.03 1n6f s ILE 183 Ca -0.03 0.12 0.08 0.00 -0.51 0.00 0.00 60.65 60.31 1n6f s ILE 183 Cb -0.08 -0.49 -0.04 0.00 0.15 0.00 0.00 42.46 42.00 1n6f s ILE 183 CO 0.01 0.24 -0.18 -0.76 -2.11 0.00 0.00 174.94 172.14 1n6f s LEU 184 N 1.80 2.43 -0.16 8.50 1.43 -0.26 -4.27 118.68 128.15 1n6f s LEU 184 Ca 0.02 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1n6f s LEU 184 Cb -0.13 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1n6f s LEU 184 CO -0.04 -0.05 -0.20 -0.36 0.23 0.00 0.00 176.35 175.94 1n6f s PHE 185 N -2.04 2.74 -0.15 0.29 0.40 -1.26 0.44 117.98 118.41 1n6f s PHE 185 Ca 0.15 -1.43 -0.00 0.00 -0.60 0.00 0.00 56.93 55.05 1n6f s PHE 185 Cb -0.06 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1n6f s PHE 185 CO 0.06 -0.68 -0.07 0.00 0.70 0.00 0.00 175.22 175.23 1n6f s ALA 186 N 1.05 1.46 -1.43 5.36 0.00 -0.40 -4.81 121.76 123.00 1n6f s ALA 186 Ca -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1n6f s ALA 186 Cb -0.14 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.97 1n6f s ALA 186 CO -0.07 -0.64 0.81 -0.25 0.00 0.00 0.00 175.76 175.62 1n6f n ASP 187 N 4.89 -2.83 0.00 0.00 8.00 -1.26 -0.40 116.55 124.95 1n6f n ASP 187 Ca -0.12 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1n6f n ASP 187 Cb 0.49 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 1n6f n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n6f n GLY 188 N -1.66 0.51 3.90 0.44 0.00 -1.26 -4.99 105.19 102.13 1n6f n GLY 188 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1n6f n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n6f s ARG 189 N -0.53 3.58 -0.23 1.61 0.52 0.47 -5.08 118.95 119.28 1n6f s ARG 189 Ca 0.00 -0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.92 1n6f s ARG 189 Cb 0.00 -2.89 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 1n6f s ARG 189 CO 0.00 0.50 0.23 1.03 0.02 0.00 0.00 175.30 177.08 1n6f s ARG 190 N -2.62 4.09 -0.15 3.54 0.52 -1.26 -1.28 118.95 121.78 1n6f s ARG 190 Ca 0.40 -0.15 -0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1n6f s ARG 190 Cb -0.12 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1n6f s ARG 190 CO 0.25 0.01 0.05 0.08 0.02 0.00 0.00 175.30 175.72 1n6f s VAL 191 N 1.20 4.74 -0.13 3.52 1.01 0.17 -1.32 120.40 129.60 1n6f s VAL 191 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1n6f s VAL 191 Cb -0.14 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1n6f s VAL 191 CO 0.06 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 1n6f s ILE 192 N -0.04 1.72 -0.30 2.22 1.01 0.64 -1.10 121.20 125.34 1n6f s ILE 192 Ca 0.06 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1n6f s ILE 192 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1n6f s ILE 192 CO 0.01 0.48 0.21 -0.83 0.00 0.00 0.00 174.94 174.81 1n6f s GLY 193 N 0.99 1.94 -0.29 6.18 0.00 0.40 -0.69 107.32 115.84 1n6f s GLY 193 Ca -0.05 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.35 1n6f s GLY 193 CO -0.03 0.69 0.19 0.50 0.00 0.00 0.00 173.10 174.45 1n6f s ARG 194 N 1.74 3.86 -1.46 2.90 0.52 0.22 0.03 118.95 126.75 1n6f s ARG 194 Ca 0.07 -0.38 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1n6f s ARG 194 Cb -0.17 -3.66 0.05 0.00 0.52 0.00 0.00 34.95 31.70 1n6f s ARG 194 CO 0.11 -0.22 1.01 0.09 0.02 0.00 0.00 175.30 176.30 1n6f n ASN 195 N 5.06 -5.50 -1.86 0.23 5.03 -1.26 -2.17 115.26 114.79 1n6f n ASN 195 Ca -0.14 -0.63 -0.17 0.00 0.87 0.00 0.00 54.58 54.51 1n6f n ASN 195 Cb 0.52 -4.37 0.11 0.00 -1.02 0.00 0.00 39.78 35.02 1n6f n ASN 195 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1n6f n THR 196 N -4.77 2.57 -2.73 3.41 -2.24 -1.26 -3.57 114.28 105.68 1n6f n THR 196 Ca 0.02 -1.40 -0.25 0.00 -2.27 0.00 0.00 64.05 60.15 1n6f n THR 196 Cb 0.55 -0.71 0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1n6f n THR 196 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1n6f s PHE 197 N -2.28 3.30 0.56 4.78 -0.12 -1.26 -1.65 117.98 121.31 1n6f s PHE 197 Ca 0.39 0.48 -0.20 0.00 -0.05 0.00 0.00 56.93 57.56 1n6f s PHE 197 Cb 0.33 -2.45 -0.05 0.00 -0.63 0.00 0.00 43.02 40.22 1n6f s PHE 197 CO 0.07 -0.50 1.18 -1.21 -0.05 0.00 0.00 175.22 174.71 1n6f s GLU 198 N -4.73 3.22 -0.52 1.99 0.41 -1.26 -4.77 118.70 113.04 1n6f s GLU 198 Ca 0.50 1.75 0.07 0.00 -0.41 0.00 0.00 54.97 56.88 1n6f s GLU 198 Cb -0.10 -2.02 0.33 0.00 -1.78 0.00 0.00 34.13 30.56 1n6f s GLU 198 CO 0.42 -0.99 0.86 1.28 -0.49 0.00 0.00 175.26 176.34 1n6f n LEU 199 N -1.33 3.30 -0.20 1.80 4.77 -1.26 -4.93 117.00 119.15 1n6f n LEU 199 Ca 0.12 -5.45 0.09 0.00 -0.03 0.00 0.00 56.01 50.74 1n6f n LEU 199 Cb 0.50 -0.18 0.38 0.00 -2.33 0.00 0.00 43.42 41.80 1n6f n LEU 199 CO 0.44 2.31 1.22 1.55 -1.33 0.00 0.00 177.39 181.58 1n6f h PRO 200 N 3.10 0.66 0.00 3.23 0.13 -1.93 -1.49 132.00 135.70 1n6f h PRO 200 Ca 0.12 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n6f h PRO 200 Cb 0.65 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1n6f h PRO 200 CO 0.72 0.44 0.00 -2.39 -0.23 0.00 0.00 178.00 176.54 1n6f n HIS 201 N -4.50 0.27 -3.30 1.56 1.44 -1.26 -3.54 115.22 105.89 1n6f n HIS 201 Ca 0.13 0.11 -0.25 0.00 -2.01 0.00 0.00 57.72 55.70 1n6f n HIS 201 Cb 0.34 -0.67 -0.09 0.00 0.12 0.00 0.00 29.99 29.69 1n6f n HIS 201 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1n6f n TRP 202 N -1.75 -0.97 -2.18 -1.40 -0.00 -0.56 -3.43 117.44 107.16 1n6f n TRP 202 Ca 0.03 -3.26 -0.37 0.00 -0.00 0.00 0.00 57.50 53.90 1n6f n TRP 202 Cb 0.18 0.19 -0.00 0.00 -0.00 0.00 0.00 31.31 31.68 1n6f n TRP 202 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n6f s LYS 203 N -0.20 3.65 -0.49 5.87 1.02 -1.06 -2.88 119.74 125.66 1n6f s LYS 203 Ca 0.33 1.85 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1n6f s LYS 203 Cb 0.07 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1n6f s LYS 203 CO -0.17 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 1n6f n GLY 204 N 0.49 0.73 3.72 -3.33 0.00 -1.26 -4.28 105.19 101.26 1n6f n GLY 204 Ca 0.08 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1n6f n GLY 204 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n6f s TYR 205 N -2.11 2.93 -0.05 1.61 5.04 -1.14 -4.88 117.35 118.74 1n6f s TYR 205 Ca 0.00 0.44 0.08 0.00 -2.44 0.00 0.00 57.07 55.15 1n6f s TYR 205 Cb 0.00 -4.09 0.12 0.00 0.35 0.00 0.00 41.96 38.34 1n6f s TYR 205 CO 0.00 -4.07 1.06 0.54 -1.34 0.00 0.00 175.55 171.74 1n6f n ARG 206 N 3.82 0.47 -1.40 4.97 1.74 -1.26 -2.04 116.66 122.97 1n6f n ARG 206 Ca 0.15 -1.62 -0.25 0.00 -0.77 0.00 0.00 57.85 55.37 1n6f n ARG 206 Cb 0.36 -0.86 0.18 0.00 -1.02 0.00 0.00 32.46 31.12 1n6f n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n6f n GLY 207 N -0.51 -1.78 0.10 -0.13 0.00 -1.25 -4.45 105.19 97.17 1n6f n GLY 207 Ca 0.06 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.53 1n6f n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 208 N -2.57 -1.09 1.20 -0.02 0.00 -0.64 -2.58 105.19 99.49 1n6f n GLY 208 Ca 0.14 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1n6f n GLY 208 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n6f n THR 209 N -2.04 0.80 -1.63 2.61 -1.04 -1.26 -4.75 114.28 106.97 1n6f n THR 209 Ca 0.02 -0.85 -0.37 0.00 -2.04 0.00 0.00 64.05 60.81 1n6f n THR 209 Cb 0.17 0.54 0.07 0.00 -1.82 0.00 0.00 70.33 69.28 1n6f n THR 209 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1n6f n ARG 210 N 1.42 0.93 -1.74 -2.82 1.85 -1.06 -4.81 116.66 110.43 1n6f n ARG 210 Ca 0.22 0.37 -0.42 0.00 -1.00 0.00 0.00 57.85 57.02 1n6f n ARG 210 Cb 0.56 -2.37 -0.01 0.00 -1.05 0.00 0.00 32.46 29.59 1n6f n ARG 210 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n6f n GLY 211 N 1.06 1.20 2.98 2.89 0.00 -1.23 -4.86 105.19 107.22 1n6f n GLY 211 Ca 0.15 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 1n6f n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 212 N -0.87 0.32 -0.10 1.61 1.02 -0.92 -3.58 119.74 117.22 1n6f s LYS 212 Ca 0.62 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.02 1n6f s LYS 212 Cb -0.52 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1n6f s LYS 212 CO 0.52 -0.05 -0.20 0.42 -0.92 0.00 0.00 175.35 175.12 1n6f s ILE 213 N -1.52 1.82 0.26 2.17 1.01 -0.70 -0.61 121.20 123.63 1n6f s ILE 213 Ca -0.15 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.71 1n6f s ILE 213 Cb -0.10 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1n6f s ILE 213 CO -0.01 0.51 0.12 0.26 0.00 0.00 0.00 174.94 175.82 1n6f s TRP 214 N 0.58 2.93 -0.00 3.97 0.52 0.13 -0.70 118.94 126.37 1n6f s TRP 214 Ca -0.14 -0.17 -0.08 0.00 0.02 0.00 0.00 56.10 55.73 1n6f s TRP 214 Cb -0.17 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 1n6f s TRP 214 CO 0.04 0.54 0.16 -1.50 0.02 0.00 0.00 176.95 176.22 1n6f s ILE 215 N -2.23 0.08 0.34 2.03 2.07 -0.34 -0.26 121.20 122.89 1n6f s ILE 215 Ca 0.33 -0.64 -0.20 0.00 -1.41 0.00 0.00 60.65 58.73 1n6f s ILE 215 Cb -0.07 -0.45 -0.10 0.00 0.13 0.00 0.00 42.46 41.97 1n6f s ILE 215 CO 0.23 -0.35 0.85 -0.70 -1.91 0.00 0.00 174.94 173.05 1n6f s GLU 216 N -1.33 4.25 0.00 3.50 2.12 -0.43 -0.23 118.70 126.57 1n6f s GLU 216 Ca -0.14 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1n6f s GLU 216 Cb -0.07 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1n6f s GLU 216 CO 0.02 0.17 0.00 1.33 -0.54 0.00 0.00 175.26 176.24 1n6f n VAL 217 N -0.03 0.00 0.38 3.70 0.24 -0.30 -4.71 118.33 117.61 1n6f n VAL 217 Ca 0.03 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.27 1n6f n VAL 217 Cb 0.52 -0.33 0.06 0.00 -1.47 0.00 0.00 33.84 32.62 1n6f n VAL 217 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1n6f n ASN 218 N -2.23 3.14 -0.47 -1.34 5.15 -1.24 -4.77 115.26 113.50 1n6f n ASN 218 Ca 0.00 -2.44 -0.06 0.00 -0.60 0.00 0.00 54.58 51.48 1n6f n ASN 218 Cb 0.00 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.63 1n6f n ASN 218 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1n6f n SER 219 N 0.05 -5.60 0.00 1.20 7.64 -1.26 -4.10 113.62 111.55 1n6f n SER 219 Ca 0.16 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1n6f n SER 219 Cb 0.81 -3.64 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 1n6f n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n6f n GLY 220 N 0.25 0.09 3.77 0.23 0.00 -1.26 -5.15 105.19 103.11 1n6f n GLY 220 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1n6f n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f s ALA 221 N 0.00 3.50 0.06 4.61 0.00 -1.26 -4.74 121.76 123.93 1n6f s ALA 221 Ca 0.00 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 50.84 1n6f s ALA 221 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1n6f s ALA 221 CO 0.00 0.53 -0.25 -0.06 0.00 0.00 0.00 175.76 175.98 1n6f s PHE 222 N -1.69 2.36 -0.03 0.00 0.40 -1.26 -1.15 117.98 116.61 1n6f s PHE 222 Ca 0.30 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 1n6f s PHE 222 Cb -0.10 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1n6f s PHE 222 CO 0.22 0.18 -0.11 0.21 0.70 0.00 0.00 175.22 176.43 1n6f s LYS 223 N -1.41 1.11 -0.00 0.44 2.20 0.67 -4.92 119.74 117.83 1n6f s LYS 223 Ca 0.13 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 1n6f s LYS 223 Cb -0.10 -1.02 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 1n6f s LYS 223 CO 0.03 0.14 1.35 0.21 -0.36 0.00 0.00 175.35 176.72 1n6f s LYS 224 N 0.16 4.31 0.00 4.03 2.20 -1.26 -1.19 119.74 127.99 1n6f s LYS 224 Ca -0.03 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1n6f s LYS 224 Cb -0.09 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1n6f s LYS 224 CO 0.01 -0.53 0.00 0.44 -0.36 0.00 0.00 175.35 174.91 1n6f n ILE 225 N 4.58 0.00 -3.55 5.43 -5.35 0.13 -4.94 119.36 115.65 1n6f n ILE 225 Ca 0.12 -0.41 -0.27 0.00 -0.27 0.00 0.00 62.75 61.92 1n6f n ILE 225 Cb 0.44 0.92 -0.15 0.00 -1.74 0.00 0.00 39.64 39.11 1n6f n ILE 225 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1n6f s VAL 226 N -1.11 -0.11 -0.40 7.28 1.01 -0.80 -3.84 120.40 122.44 1n6f s VAL 226 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1n6f s VAL 226 Cb 0.00 -0.83 0.24 0.00 0.00 0.00 0.00 36.38 35.79 1n6f s VAL 226 CO 0.00 -0.54 0.50 -0.67 0.00 0.00 0.00 175.10 174.39 1n6f n ASP 227 N 5.27 0.17 -4.23 3.32 -0.08 -1.26 -1.73 116.55 118.02 1n6f n ASP 227 Ca -0.06 -2.67 -0.30 0.00 -1.51 0.00 0.00 54.79 50.26 1n6f n ASP 227 Cb 0.45 -0.63 0.18 0.00 2.34 0.00 0.00 41.12 43.46 1n6f n ASP 227 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1n6f s MET 228 N -1.04 0.39 0.28 -0.67 -1.94 -1.26 -4.96 119.30 110.11 1n6f s MET 228 Ca 0.35 -0.17 0.13 0.00 -1.71 0.00 0.00 55.69 54.28 1n6f s MET 228 Cb 0.15 -1.79 0.36 0.00 2.01 0.00 0.00 34.83 35.55 1n6f s MET 228 CO -0.12 -2.62 1.59 0.66 -0.01 0.00 0.00 175.02 174.53 1n6f h SER 229 N -1.79 0.00 -0.89 3.03 4.64 -1.97 -3.45 113.55 113.12 1n6f h SER 229 Ca -0.46 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 1n6f h SER 229 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1n6f h SER 229 CO 0.43 0.59 -0.23 0.42 -0.87 0.00 0.00 176.83 177.18 1n6f s THR 230 N -3.46 2.13 0.24 2.95 -4.23 -1.26 -4.42 115.64 107.60 1n6f s THR 230 Ca -0.00 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 1n6f s THR 230 Cb 0.12 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.51 1n6f s THR 230 CO 0.75 0.00 1.25 -2.28 -0.54 0.00 0.00 174.62 173.79 1n6f s HIS 231 N -2.64 3.31 -0.11 3.99 2.46 -0.86 -4.72 115.29 116.71 1n6f s HIS 231 Ca 0.50 1.40 0.02 0.00 0.47 0.00 0.00 55.06 57.44 1n6f s HIS 231 Cb -0.04 -3.53 -0.01 0.00 -0.13 0.00 0.00 32.58 28.87 1n6f s HIS 231 CO 0.31 -1.49 -0.16 0.08 -2.47 0.00 0.00 174.74 171.00 1n6f s VAL 232 N -0.44 2.77 0.19 0.89 1.01 -1.23 -4.23 120.40 119.36 1n6f s VAL 232 Ca 0.52 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1n6f s VAL 232 Cb -0.36 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1n6f s VAL 232 CO 0.42 0.55 0.07 -0.94 0.00 0.00 0.00 175.10 175.19 1n6f s SER 233 N 0.14 0.69 -1.21 3.32 1.04 -0.52 -3.86 113.70 113.30 1n6f s SER 233 Ca -0.08 -1.28 -0.35 0.00 0.48 0.00 0.00 55.95 54.71 1n6f s SER 233 Cb -0.15 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.25 1n6f s SER 233 CO 0.05 -0.72 0.69 -1.20 0.98 0.00 0.00 173.24 173.04 1n6f n SER 234 N -0.26 -4.18 -4.78 7.02 7.64 -0.66 -1.60 113.62 116.80 1n6f n SER 234 Ca -0.03 -1.30 -0.36 0.00 1.01 0.00 0.00 58.87 58.19 1n6f n SER 234 Cb 0.65 -1.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.12 1n6f n SER 234 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n6f s PRO 235 N -7.42 3.87 0.18 1.43 0.04 -1.26 -4.33 135.00 127.51 1n6f s PRO 235 Ca 0.50 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 1n6f s PRO 235 Cb -0.27 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1n6f s PRO 235 CO 0.97 -0.41 0.38 0.14 0.04 0.00 0.00 177.00 178.11 1n6f s VAL 236 N -1.67 0.05 -0.07 -0.36 -7.23 0.25 -4.93 120.40 106.42 1n6f s VAL 236 Ca 0.63 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 1n6f s VAL 236 Cb -0.24 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 34.92 1n6f s VAL 236 CO 0.29 -0.21 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.10 1n6f s ILE 237 N -3.94 1.25 -0.19 -0.62 1.01 -1.26 0.30 121.20 117.74 1n6f s ILE 237 Ca 0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1n6f s ILE 237 Cb 0.02 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.40 1n6f s ILE 237 CO -0.00 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 1n6f s VAL 238 N 0.71 1.13 0.00 2.92 1.01 -0.59 -4.66 120.40 120.92 1n6f s VAL 238 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1n6f s VAL 238 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1n6f s VAL 238 CO 0.03 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1n6f n GLY 239 N 4.84 2.51 1.34 4.51 0.00 -1.26 -2.73 105.19 114.40 1n6f n GLY 239 Ca -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1n6f n GLY 239 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n6f n HIS 240 N 9.96 0.96 -4.31 1.61 -0.00 -1.26 -5.02 115.22 117.16 1n6f n HIS 240 Ca 0.00 -1.65 -0.22 0.00 -0.00 0.00 0.00 57.72 55.85 1n6f n HIS 240 Cb 0.00 -0.26 -0.13 0.00 -0.00 0.00 0.00 29.99 29.60 1n6f n HIS 240 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1n6f s ARG 241 N -2.99 1.03 -0.27 -0.41 0.52 -1.11 -3.51 118.95 112.20 1n6f s ARG 241 Ca 0.41 -1.00 -0.08 0.00 -0.52 0.00 0.00 55.73 54.54 1n6f s ARG 241 Cb 0.38 -1.14 -0.02 0.00 0.52 0.00 0.00 34.95 34.69 1n6f s ARG 241 CO -0.05 0.27 0.10 0.42 0.02 0.00 0.00 175.30 176.06 1n6f s ILE 242 N -1.10 4.37 -0.12 1.52 1.01 0.22 -1.54 121.20 125.56 1n6f s ILE 242 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1n6f s ILE 242 Cb -0.09 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1n6f s ILE 242 CO 0.03 0.24 0.13 -0.31 0.00 0.00 0.00 174.94 175.02 1n6f s TYR 243 N 1.61 3.54 0.36 3.97 1.51 0.15 -1.56 117.35 126.93 1n6f s TYR 243 Ca 0.05 0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 56.49 1n6f s TYR 243 Cb -0.16 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1n6f s TYR 243 CO 0.04 0.68 0.65 -0.59 -1.11 0.00 0.00 175.55 175.22 1n6f s PHE 244 N -0.90 0.51 0.10 2.71 -0.12 -0.31 -0.59 117.98 119.38 1n6f s PHE 244 Ca 0.14 -0.99 0.10 0.00 -0.05 0.00 0.00 56.93 56.13 1n6f s PHE 244 Cb -0.12 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 1n6f s PHE 244 CO 0.03 -1.38 -0.26 0.42 -0.05 0.00 0.00 175.22 173.99 1n6f s ILE 245 N -2.68 2.28 -0.00 -4.49 1.01 -0.63 0.15 121.20 116.84 1n6f s ILE 245 Ca 0.22 -1.60 -0.28 0.00 0.00 0.00 0.00 60.65 58.99 1n6f s ILE 245 Cb -0.03 -1.97 0.10 0.00 0.01 0.00 0.00 42.46 40.56 1n6f s ILE 245 CO 0.15 0.19 0.83 0.28 0.00 0.00 0.00 174.94 176.40 1n6f s THR 246 N -0.98 0.00 -0.31 2.92 -1.32 -1.07 -1.44 115.64 113.44 1n6f s THR 246 Ca 0.14 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.69 1n6f s THR 246 Cb -0.10 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.35 1n6f s THR 246 CO 0.05 0.00 1.35 -0.90 -2.21 0.00 0.00 174.62 172.91 1n6f n ASP 247 N -0.02 3.85 -0.08 8.08 3.85 -1.26 -2.34 116.55 128.63 1n6f n ASP 247 Ca -0.11 -3.80 0.26 0.00 -0.71 0.00 0.00 54.79 50.42 1n6f n ASP 247 Cb 0.61 -0.52 0.70 0.00 -1.35 0.00 0.00 41.12 40.56 1n6f n ASP 247 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1n6f h ILE 248 N 1.49 0.37 -0.23 2.12 6.09 -1.89 0.17 117.51 125.63 1n6f h ILE 248 Ca 0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 1n6f h ILE 248 Cb 1.38 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1n6f h ILE 248 CO 0.58 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.13 1n6f n ASP 249 N -3.87 2.76 0.00 2.19 10.43 -1.26 -4.92 116.55 121.89 1n6f n ASP 249 Ca 0.15 -1.89 0.00 0.00 2.57 0.00 0.00 54.79 55.63 1n6f n ASP 249 Cb 0.93 -0.15 0.00 0.00 1.84 0.00 0.00 41.12 43.74 1n6f n ASP 249 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6f n GLY 250 N 1.36 0.74 3.43 0.44 0.00 0.60 -5.07 105.19 106.68 1n6f n GLY 250 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1n6f n GLY 250 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n6f s PHE 251 N -2.00 -0.51 -0.07 1.61 5.36 -1.24 -5.02 117.98 116.11 1n6f s PHE 251 Ca 0.00 0.55 -0.30 0.00 -0.96 0.00 0.00 56.93 56.22 1n6f s PHE 251 Cb 0.00 0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 43.07 1n6f s PHE 251 CO 0.00 -0.71 1.37 0.20 -1.46 0.00 0.00 175.22 174.62 1n6f s GLY 252 N -2.10 1.77 0.12 13.12 0.00 -1.26 -4.05 107.32 114.92 1n6f s GLY 252 Ca -0.04 0.72 -0.00 0.00 0.00 0.00 0.00 44.72 45.40 1n6f s GLY 252 CO -0.03 2.56 0.02 1.20 0.00 0.00 0.00 173.10 176.85 1n6f s GLN 253 N 2.99 0.90 -0.16 2.90 -1.52 -0.99 -4.38 119.66 119.40 1n6f s GLN 253 Ca 0.62 -1.41 -0.16 0.00 -1.95 0.00 0.00 55.36 52.45 1n6f s GLN 253 Cb -0.28 0.12 -0.04 0.00 -0.22 0.00 0.00 33.01 32.59 1n6f s GLN 253 CO 0.23 -0.20 0.41 0.42 -0.25 0.00 0.00 175.29 175.90 1n6f s ILE 254 N -3.93 5.21 0.47 1.08 1.01 -1.26 -2.61 121.20 121.18 1n6f s ILE 254 Ca 0.20 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.65 1n6f s ILE 254 Cb 0.07 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 1n6f s ILE 254 CO -0.00 0.31 0.04 -1.22 0.00 0.00 0.00 174.94 174.07 1n6f n TYR 255 N 3.98 0.86 -3.49 3.97 4.02 0.12 -0.99 117.16 125.63 1n6f n TYR 255 Ca -0.08 -2.52 -0.10 0.00 -0.01 0.00 0.00 57.90 55.19 1n6f n TYR 255 Cb 0.51 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 1n6f n TYR 255 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1n6f s SER 256 N -3.68 -0.44 0.31 7.72 1.04 -0.93 -1.16 113.70 116.55 1n6f s SER 256 Ca 0.06 0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 1n6f s SER 256 Cb 0.00 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 1n6f s SER 256 CO 0.04 -0.68 0.44 0.42 0.98 0.00 0.00 173.24 174.44 1n6f s THR 257 N -2.94 0.00 0.79 2.02 -4.23 -0.60 -1.83 115.64 108.85 1n6f s THR 257 Ca 0.02 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1n6f s THR 257 Cb -0.01 -2.53 0.18 0.00 1.34 0.00 0.00 72.50 71.48 1n6f s THR 257 CO -0.08 0.00 1.08 -0.90 -0.54 0.00 0.00 174.62 174.19 1n6f n ASP 258 N -1.07 0.43 -0.60 3.99 5.68 -0.38 -0.61 116.55 124.00 1n6f n ASP 258 Ca 0.01 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1n6f n ASP 258 Cb 0.62 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1n6f n ASP 258 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n6f n LEU 259 N 0.00 0.69 0.00 -2.12 4.77 -1.23 -1.36 117.00 117.75 1n6f n LEU 259 Ca 0.15 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1n6f n LEU 259 Cb 0.51 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1n6f n LEU 259 CO 0.37 0.15 0.19 0.47 -1.33 0.00 0.00 177.39 177.23 1n6f n ASP 260 N 0.36 0.62 -0.74 -1.43 8.00 -1.26 -4.98 116.55 117.11 1n6f n ASP 260 Ca 0.00 -1.14 -0.10 0.00 0.71 0.00 0.00 54.79 54.27 1n6f n ASP 260 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1n6f n ASP 260 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n6f n GLY 261 N -0.07 1.12 3.83 0.44 0.00 -0.46 -4.86 105.19 105.20 1n6f n GLY 261 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1n6f n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 262 N -2.83 2.54 -1.03 1.61 -0.14 -1.26 -4.75 119.74 113.88 1n6f s LYS 262 Ca 0.00 -1.49 -0.01 0.00 -1.36 0.00 0.00 55.97 53.12 1n6f s LYS 262 Cb 0.00 -2.34 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 1n6f s LYS 262 CO 0.00 -0.04 0.86 -3.47 -0.76 0.00 0.00 175.35 171.94 1n6f n ASP 263 N -1.40 -2.44 -4.72 2.83 4.64 -1.26 -1.25 116.55 112.96 1n6f n ASP 263 Ca 0.00 -0.55 -0.43 0.00 -1.38 0.00 0.00 54.79 52.44 1n6f n ASP 263 Cb 0.61 -4.52 -0.03 0.00 -1.04 0.00 0.00 41.12 36.14 1n6f n ASP 263 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1n6f n LEU 264 N -3.64 3.90 -4.01 -2.67 7.94 -1.26 -4.53 117.00 112.74 1n6f n LEU 264 Ca -0.23 1.10 -0.15 0.00 -1.11 0.00 0.00 56.01 55.62 1n6f n LEU 264 Cb 0.64 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.91 1n6f n LEU 264 CO 0.53 0.04 -0.41 -0.13 -1.11 0.00 0.00 177.39 176.30 1n6f s ARG 265 N 0.40 0.51 -0.24 1.96 0.52 -0.76 -5.01 118.95 116.33 1n6f s ARG 265 Ca 0.71 -0.40 -0.07 0.00 -0.52 0.00 0.00 55.73 55.45 1n6f s ARG 265 Cb -0.54 -0.43 -0.03 0.00 0.52 0.00 0.00 34.95 34.47 1n6f s ARG 265 CO 0.40 0.11 0.06 0.21 0.02 0.00 0.00 175.30 176.10 1n6f s LYS 266 N -0.61 3.65 -0.02 3.54 2.20 -1.26 -2.20 119.74 125.04 1n6f s LYS 266 Ca -0.01 -0.48 0.18 0.00 -0.36 0.00 0.00 55.97 55.30 1n6f s LYS 266 Cb -0.05 -3.29 -0.28 0.00 -1.51 0.00 0.00 37.83 32.70 1n6f s LYS 266 CO 0.00 -0.16 0.42 0.72 -0.36 0.00 0.00 175.35 175.97 1n6f n HIS 267 N 4.82 0.00 -4.51 4.03 8.25 -0.16 -5.02 115.22 122.64 1n6f n HIS 267 Ca -0.16 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.05 1n6f n HIS 267 Cb 0.51 -0.39 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 1n6f n HIS 267 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1n6f s THR 268 N -3.23 1.90 -0.28 1.59 -4.23 -1.23 -4.95 115.64 105.21 1n6f s THR 268 Ca -0.06 -2.13 0.21 0.00 -1.18 0.00 0.00 61.69 58.54 1n6f s THR 268 Cb 0.12 -2.64 0.49 0.00 1.34 0.00 0.00 72.50 71.81 1n6f s THR 268 CO 0.75 -0.19 1.12 -1.20 -0.54 0.00 0.00 174.62 174.57 1n6f n SER 269 N -0.74 1.29 -4.56 3.99 7.64 -1.26 -4.70 113.62 115.28 1n6f n SER 269 Ca -0.05 -2.13 -0.33 0.00 1.01 0.00 0.00 58.87 57.37 1n6f n SER 269 Cb 0.64 -0.38 0.13 0.00 -1.01 0.00 0.00 64.21 63.59 1n6f n SER 269 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n6f n PHE 270 N -0.60 -0.05 0.00 1.43 0.99 -1.26 -4.96 117.46 113.01 1n6f n PHE 270 Ca 0.05 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.84 1n6f n PHE 270 Cb 0.81 -1.94 0.00 0.00 -1.00 0.00 0.00 39.48 37.35 1n6f n PHE 270 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1n6f n THR 271 N -3.61 0.00 0.06 4.37 -2.24 -1.26 -4.91 114.28 106.69 1n6f n THR 271 Ca 0.10 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1n6f n THR 271 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1n6f n THR 271 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1n6f h ASP 272 N 0.00 -0.21 -5.12 3.42 -0.00 -1.99 -3.48 116.42 109.03 1n6f h ASP 272 Ca 0.00 -0.22 -0.09 0.00 -0.00 0.00 0.00 57.03 56.72 1n6f h ASP 272 Cb 0.00 0.06 -0.15 0.00 -0.00 0.00 0.00 39.33 39.23 1n6f h ASP 272 CO 0.00 0.33 -0.36 -0.31 -0.00 0.00 0.00 179.24 178.90 1n6f s TYR 273 N -2.90 0.09 0.23 4.15 1.51 -1.26 -5.03 117.35 114.14 1n6f s TYR 273 Ca -0.09 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 1n6f s TYR 273 Cb 0.00 -0.03 -0.09 0.00 -0.11 0.00 0.00 41.96 41.73 1n6f s TYR 273 CO 0.32 -0.51 1.27 0.71 -1.11 0.00 0.00 175.55 176.23 1n6f s TYR 274 N -3.37 3.28 0.38 2.71 1.51 -1.26 -4.82 117.35 115.77 1n6f s TYR 274 Ca 0.01 1.33 -0.23 0.00 -1.01 0.00 0.00 57.07 57.16 1n6f s TYR 274 Cb 0.03 -3.56 -0.10 0.00 -0.11 0.00 0.00 41.96 38.21 1n6f s TYR 274 CO -0.08 -1.66 0.95 -1.25 -1.11 0.00 0.00 175.55 172.40 1n6f s PRO 275 N -0.54 4.40 0.32 -1.71 0.04 -1.26 -4.51 135.00 131.73 1n6f s PRO 275 Ca 0.54 1.22 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1n6f s PRO 275 Cb -0.36 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1n6f s PRO 275 CO 0.41 0.12 0.26 1.03 0.04 0.00 0.00 177.00 178.86 1n6f s ARG 276 N -2.63 1.71 -1.24 4.56 1.81 -0.16 -4.94 118.95 118.05 1n6f s ARG 276 Ca 0.56 -1.99 -0.17 0.00 -1.72 0.00 0.00 55.73 52.42 1n6f s ARG 276 Cb -0.14 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 1n6f s ARG 276 CO 0.18 -0.62 0.64 1.58 -0.68 0.00 0.00 175.30 176.40 1n6f n HIS 277 N -0.59 -1.73 -2.02 -0.53 -0.00 -1.26 -2.30 115.22 106.79 1n6f n HIS 277 Ca 0.07 0.48 -0.40 0.00 0.46 0.00 0.00 57.72 58.33 1n6f n HIS 277 Cb 0.63 -3.40 -0.01 0.00 -0.12 0.00 0.00 29.99 27.09 1n6f n HIS 277 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1n6f s LEU 278 N -6.81 4.27 0.12 0.27 1.43 -1.26 -4.48 118.68 112.22 1n6f s LEU 278 Ca 0.32 2.73 -0.19 0.00 -1.03 0.00 0.00 54.13 55.96 1n6f s LEU 278 Cb -0.13 -3.81 0.05 0.00 0.03 0.00 0.00 46.19 42.32 1n6f s LEU 278 CO 0.89 -0.80 0.48 0.20 0.23 0.00 0.00 176.35 177.36 1n6f s ASN 279 N -0.59 -0.37 0.37 2.29 0.02 -0.77 -4.81 114.94 111.09 1n6f s ASN 279 Ca 0.55 -0.12 -0.09 0.00 -1.02 0.00 0.00 52.86 52.17 1n6f s ASN 279 Cb -0.40 0.51 0.03 0.00 0.02 0.00 0.00 41.25 41.42 1n6f s ASN 279 CO 0.52 -0.86 0.66 0.28 0.02 0.00 0.00 177.10 177.72 1n6f s THR 280 N -3.50 0.00 0.00 1.60 -1.32 -1.26 0.44 115.64 111.60 1n6f s THR 280 Ca 0.01 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 1n6f s THR 280 Cb 0.00 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.19 1n6f s THR 280 CO -0.10 0.00 0.45 -0.90 -2.21 0.00 0.00 174.62 171.86 1n6f n ASP 281 N -1.48 0.80 0.00 8.08 3.85 -1.22 -4.63 116.55 121.94 1n6f n ASP 281 Ca -0.04 -1.17 0.00 0.00 -0.71 0.00 0.00 54.79 52.86 1n6f n ASP 281 Cb 0.61 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.38 1n6f n ASP 281 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n6f n GLY 282 N -0.09 2.42 0.80 6.12 0.00 -1.26 -4.89 105.19 108.29 1n6f n GLY 282 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1n6f n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f n ARG 283 N -1.04 0.14 -4.37 1.61 1.74 -1.26 -4.43 116.66 109.04 1n6f n ARG 283 Ca 0.00 0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 56.89 1n6f n ARG 283 Cb 0.00 -0.74 -0.13 0.00 -1.02 0.00 0.00 32.46 30.58 1n6f n ARG 283 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n6f s ARG 284 N -2.15 1.22 -0.07 5.56 0.52 -1.26 -4.43 118.95 118.34 1n6f s ARG 284 Ca -0.09 -1.15 -0.08 0.00 -0.52 0.00 0.00 55.73 53.90 1n6f s ARG 284 Cb 0.03 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 1n6f s ARG 284 CO 0.11 0.35 0.21 0.42 0.02 0.00 0.00 175.30 176.42 1n6f s ILE 285 N -1.08 5.38 0.10 1.52 1.01 0.12 -3.45 121.20 124.81 1n6f s ILE 285 Ca 0.08 0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.10 1n6f s ILE 285 Cb -0.10 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1n6f s ILE 285 CO 0.04 0.54 -0.24 -0.22 0.00 0.00 0.00 174.94 175.06 1n6f s LEU 286 N -1.25 2.28 0.19 2.97 2.96 0.17 -0.31 118.68 125.70 1n6f s LEU 286 Ca 0.20 -0.69 -0.24 0.00 -0.22 0.00 0.00 54.13 53.18 1n6f s LEU 286 Cb -0.13 -1.07 0.05 0.00 0.50 0.00 0.00 46.19 45.55 1n6f s LEU 286 CO 0.09 0.14 0.91 0.72 -1.32 0.00 0.00 176.35 176.89 1n6f s PHE 287 N -1.05 -0.12 0.25 5.38 -0.12 -0.93 -1.85 117.98 119.54 1n6f s PHE 287 Ca 0.10 -0.25 0.10 0.00 -0.05 0.00 0.00 56.93 56.84 1n6f s PHE 287 Cb -0.10 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1n6f s PHE 287 CO 0.05 -0.95 -0.17 -1.54 -0.05 0.00 0.00 175.22 172.56 1n6f s SER 288 N -2.98 3.17 -0.29 1.98 1.04 -0.97 -0.73 113.70 114.92 1n6f s SER 288 Ca 0.13 -1.04 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 1n6f s SER 288 Cb -0.03 -0.23 0.13 0.00 0.10 0.00 0.00 66.02 65.99 1n6f s SER 288 CO 0.04 -0.07 0.86 -0.75 0.98 0.00 0.00 173.24 174.30 1n6f s LYS 289 N -3.58 0.49 -1.32 4.02 2.20 0.12 -0.99 119.74 120.69 1n6f s LYS 289 Ca 0.27 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1n6f s LYS 289 Cb -0.03 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1n6f s LYS 289 CO 0.12 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1n6f n GLY 290 N 4.18 -0.09 1.29 5.54 0.00 -1.26 -1.27 105.19 113.57 1n6f n GLY 290 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1n6f n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 291 N -0.74 0.73 3.34 -0.02 0.00 -1.26 -4.96 105.19 102.29 1n6f n GLY 291 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1n6f n GLY 291 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n6f s SER 292 N -2.25 2.75 -0.14 1.61 0.01 -0.40 -0.84 113.70 114.44 1n6f s SER 292 Ca 0.00 -0.87 -0.06 0.00 1.31 0.00 0.00 55.95 56.33 1n6f s SER 292 Cb 0.00 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1n6f s SER 292 CO 0.00 -0.03 0.08 -0.63 0.41 0.00 0.00 173.24 173.07 1n6f s ILE 293 N -2.05 4.96 0.28 1.44 1.01 -1.26 -0.70 121.20 124.88 1n6f s ILE 293 Ca 0.17 0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.94 1n6f s ILE 293 Cb -0.06 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1n6f s ILE 293 CO 0.07 0.54 -0.16 -0.31 0.00 0.00 0.00 174.94 175.08 1n6f s TYR 294 N -0.36 2.22 -0.02 3.97 1.51 0.10 -1.04 117.35 123.72 1n6f s TYR 294 Ca 0.10 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 1n6f s TYR 294 Cb -0.12 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1n6f s TYR 294 CO 0.02 0.62 -0.20 0.42 -1.11 0.00 0.00 175.55 175.29 1n6f s ILE 295 N -2.62 1.59 -0.14 2.71 1.01 0.40 -2.19 121.20 121.96 1n6f s ILE 295 Ca 0.29 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1n6f s ILE 295 Cb -0.02 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.13 1n6f s ILE 295 CO 0.14 0.45 -0.18 0.12 0.00 0.00 0.00 174.94 175.47 1n6f s PHE 296 N -0.38 2.40 -0.38 3.97 5.36 0.58 -1.58 117.98 127.95 1n6f s PHE 296 Ca 0.05 -1.25 -0.10 0.00 -0.96 0.00 0.00 56.93 54.67 1n6f s PHE 296 Cb -0.09 -1.68 0.04 0.00 -0.34 0.00 0.00 43.02 40.95 1n6f s PHE 296 CO -0.00 -0.61 0.21 1.21 -1.46 0.00 0.00 175.22 174.56 1n6f s ASN 297 N 1.04 5.67 0.35 6.13 3.04 -0.99 -0.70 114.94 129.49 1n6f s ASN 297 Ca -0.03 -1.12 0.09 0.00 0.04 0.00 0.00 52.86 51.84 1n6f s ASN 297 Cb -0.15 -2.00 0.83 0.00 -1.54 0.00 0.00 41.25 38.39 1n6f s ASN 297 CO -0.05 -0.42 1.85 -0.65 -3.04 0.00 0.00 177.10 174.80 1n6f h PRO 298 N 8.41 0.66 -0.19 0.43 0.11 -1.90 1.40 132.00 140.92 1n6f h PRO 298 Ca -0.25 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 1n6f h PRO 298 Cb 1.10 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1n6f h PRO 298 CO 0.68 0.44 -0.56 -0.44 -0.21 0.00 0.00 178.00 177.91 1n6f h ASP 299 N 0.68 0.66 0.51 -2.05 3.45 -1.93 -3.26 116.42 114.47 1n6f h ASP 299 Ca 0.47 -0.36 -0.17 0.00 0.43 0.00 0.00 57.03 57.40 1n6f h ASP 299 Cb 0.79 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.34 1n6f h ASP 299 CO -0.23 1.08 -1.63 0.41 -1.57 0.00 0.00 179.24 177.31 1n6f n THR 300 N -3.96 1.04 -1.34 0.35 -1.04 -0.85 -4.95 114.28 103.53 1n6f n THR 300 Ca -0.03 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.05 61.17 1n6f n THR 300 Cb 0.61 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 68.49 1n6f n THR 300 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1n6f n GLU 301 N -2.78 -1.09 -3.90 -2.82 2.13 0.48 -4.98 120.64 107.67 1n6f n GLU 301 Ca -0.12 0.89 -0.37 0.00 0.66 0.00 0.00 57.16 58.22 1n6f n GLU 301 Cb 0.84 -4.99 -0.06 0.00 0.27 0.00 0.00 31.44 27.50 1n6f n GLU 301 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1n6f s LYS 302 N -2.89 3.44 -0.08 5.31 2.20 -1.22 -4.91 119.74 121.60 1n6f s LYS 302 Ca 0.00 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.50 1n6f s LYS 302 Cb 0.00 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1n6f s LYS 302 CO 0.00 0.76 -0.19 0.42 -0.36 0.00 0.00 175.35 175.98 1n6f s ILE 303 N -0.97 2.58 0.04 5.43 1.01 -1.26 -2.35 121.20 125.68 1n6f s ILE 303 Ca 0.15 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1n6f s ILE 303 Cb -0.12 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1n6f s ILE 303 CO 0.04 0.56 -0.08 -1.83 0.00 0.00 0.00 174.94 173.62 1n6f s GLU 304 N -0.12 0.56 -0.07 2.79 -1.05 -0.62 -4.96 118.70 115.22 1n6f s GLU 304 Ca -0.03 -0.75 -0.21 0.00 -0.15 0.00 0.00 54.97 53.83 1n6f s GLU 304 Cb -0.14 -0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.14 1n6f s GLU 304 CO 0.04 0.07 0.59 0.21 0.95 0.00 0.00 175.26 177.12 1n6f s LYS 305 N -1.52 4.37 0.10 -4.83 2.20 -1.26 -0.46 119.74 118.34 1n6f s LYS 305 Ca -0.08 0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 55.92 1n6f s LYS 305 Cb -0.10 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 1n6f s LYS 305 CO 0.01 0.17 0.86 0.42 -0.36 0.00 0.00 175.35 176.45 1n6f s ILE 306 N 0.51 4.55 -0.41 5.43 1.01 -0.21 -4.98 121.20 127.10 1n6f s ILE 306 Ca 0.31 1.86 -0.21 0.00 0.00 0.00 0.00 60.65 62.62 1n6f s ILE 306 Cb -0.17 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.09 1n6f s ILE 306 CO 0.15 0.37 0.65 -1.61 0.00 0.00 0.00 174.94 174.50 1n6f s GLU 307 N -0.23 3.45 -0.06 2.79 0.41 -1.26 -4.67 118.70 119.12 1n6f s GLU 307 Ca 0.42 -0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.81 1n6f s GLU 307 Cb -0.22 -3.89 -0.05 0.00 -1.78 0.00 0.00 34.13 28.18 1n6f s GLU 307 CO 0.27 -0.91 -0.04 -0.89 -0.49 0.00 0.00 175.26 173.20 1n6f n ILE 308 N 5.77 0.38 -4.44 -1.63 5.41 -1.26 -5.04 119.36 118.54 1n6f n ILE 308 Ca -0.01 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1n6f n ILE 308 Cb 0.48 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1n6f n ILE 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n6f n GLY 309 N 3.04 -1.51 3.74 7.39 0.00 -1.26 -4.82 105.19 111.77 1n6f n GLY 309 Ca -0.11 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1n6f n GLY 309 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n6f n ASP 310 N -0.81 3.66 0.00 1.61 10.43 -1.26 -4.61 116.55 125.57 1n6f n ASP 310 Ca 0.00 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.53 1n6f n ASP 310 Cb 0.00 -1.57 0.00 0.00 1.84 0.00 0.00 41.12 41.39 1n6f n ASP 310 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1n6f n LEU 311 N 1.76 2.08 -3.63 0.64 4.32 -1.26 -5.03 117.00 115.88 1n6f n LEU 311 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.95 1n6f n LEU 311 Cb 0.36 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.09 1n6f n LEU 311 CO 0.64 0.34 0.41 -0.70 -1.22 0.00 0.00 177.39 176.85 1n6f s GLU 312 N -1.79 0.78 -0.35 3.23 2.12 -1.26 -5.10 118.70 116.33 1n6f s GLU 312 Ca 0.00 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.40 1n6f s GLU 312 Cb 0.00 0.32 0.14 0.00 0.26 0.00 0.00 34.13 34.85 1n6f s GLU 312 CO 0.00 -0.11 0.25 0.45 -0.54 0.00 0.00 175.26 175.30 1n6f s SER 313 N 0.79 2.55 0.99 -1.70 0.15 -1.26 -4.88 113.70 110.33 1n6f s SER 313 Ca -0.03 -1.99 -0.12 0.00 0.70 0.00 0.00 55.95 54.50 1n6f s SER 313 Cb -0.05 -0.16 0.18 0.00 -1.71 0.00 0.00 66.02 64.29 1n6f s SER 313 CO -0.06 -0.30 1.09 -2.16 1.20 0.00 0.00 173.24 173.00 1n6f s PRO 314 N 1.21 0.53 0.05 5.44 0.04 -1.26 -4.92 135.00 136.08 1n6f s PRO 314 Ca 0.17 0.63 -0.36 0.00 0.04 0.00 0.00 61.00 61.49 1n6f s PRO 314 Cb -0.21 -1.74 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 1n6f s PRO 314 CO -0.02 -2.69 1.53 -1.91 0.04 0.00 0.00 177.00 173.95 1n6f n GLU 315 N -4.17 1.63 0.12 4.56 4.07 -1.26 -4.91 120.64 120.67 1n6f n GLU 315 Ca 0.06 0.59 -0.23 0.00 -0.06 0.00 0.00 57.16 57.51 1n6f n GLU 315 Cb 0.56 -2.30 -0.15 0.00 -0.06 0.00 0.00 31.44 29.49 1n6f n GLU 315 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1n6f h ASP 316 N 5.89 0.77 -3.23 4.31 1.82 -1.96 -3.44 116.42 120.59 1n6f h ASP 316 Ca -0.47 -0.91 -0.57 0.00 -0.39 0.00 0.00 57.03 54.69 1n6f h ASP 316 Cb 1.30 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 41.01 1n6f h ASP 316 CO 0.86 1.62 1.01 -0.60 -1.61 0.00 0.00 179.24 180.53 1n6f s ARG 317 N -2.62 3.76 0.17 0.28 3.52 -1.26 -1.66 118.95 121.13 1n6f s ARG 317 Ca -0.10 1.09 0.09 0.00 -0.13 0.00 0.00 55.73 56.67 1n6f s ARG 317 Cb 0.03 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 1n6f s ARG 317 CO 0.92 -1.33 -0.11 0.96 -0.81 0.00 0.00 175.30 174.94 1n6f s ILE 318 N 4.84 3.16 -0.13 4.11 -4.36 0.13 -4.95 121.20 124.00 1n6f s ILE 318 Ca 0.58 -1.61 -0.06 0.00 -0.26 0.00 0.00 60.65 59.30 1n6f s ILE 318 Cb -0.15 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 1n6f s ILE 318 CO 0.28 -0.07 0.08 -0.63 0.24 0.00 0.00 174.94 174.84 1n6f s ILE 319 N -1.61 5.01 0.08 8.37 -1.09 -1.26 -1.60 121.20 129.10 1n6f s ILE 319 Ca 0.24 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 1n6f s ILE 319 Cb -0.09 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1n6f s ILE 319 CO 0.14 0.57 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.93 1n6f s SER 320 N -0.60 0.91 -0.45 3.58 0.01 0.51 -4.93 113.70 112.74 1n6f s SER 320 Ca 0.11 -0.98 -0.22 0.00 1.31 0.00 0.00 55.95 56.17 1n6f s SER 320 Cb -0.12 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.27 1n6f s SER 320 CO 0.02 -0.50 0.75 -0.63 0.41 0.00 0.00 173.24 173.29 1n6f s ILE 321 N -3.62 4.69 0.30 1.44 1.01 -1.26 -0.31 121.20 123.46 1n6f s ILE 321 Ca 0.09 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.08 1n6f s ILE 321 Cb 0.05 -4.30 0.33 0.00 0.01 0.00 0.00 42.46 38.55 1n6f s ILE 321 CO -0.06 -0.71 1.64 1.55 0.00 0.00 0.00 174.94 177.36 1n6f h PRO 322 N 8.97 0.18 -0.86 2.79 0.13 -1.83 -1.85 132.00 139.53 1n6f h PRO 322 Ca -0.25 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 1n6f h PRO 322 Cb 1.09 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1n6f h PRO 322 CO 0.95 0.12 0.55 0.66 -0.23 0.00 0.00 178.00 180.05 1n6f h SER 323 N 0.19 0.90 -0.93 1.44 4.64 -1.93 -1.11 113.55 116.75 1n6f h SER 323 Ca 0.59 -0.00 0.20 0.00 -0.47 0.00 0.00 61.79 62.11 1n6f h SER 323 Cb 1.24 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 1n6f h SER 323 CO -0.68 0.61 0.61 0.11 -0.87 0.00 0.00 176.83 176.60 1n6f h LYS 324 N 1.05 0.47 -0.03 4.77 1.79 -1.75 -2.40 116.57 120.47 1n6f h LYS 324 Ca 0.35 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1n6f h LYS 324 Cb 0.05 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1n6f h LYS 324 CO -0.13 0.31 0.00 1.19 -1.08 0.00 0.00 179.45 179.74 1n6f n PHE 325 N -4.56 0.09 -2.18 -1.35 3.01 -0.98 -5.00 117.46 106.48 1n6f n PHE 325 Ca 0.20 -0.83 -0.33 0.00 1.01 0.00 0.00 57.45 57.51 1n6f n PHE 325 Cb 0.68 -0.13 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 1n6f n PHE 325 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n6f s ALA 326 N -2.28 2.86 -0.01 4.37 0.00 -0.46 -2.96 121.76 123.28 1n6f s ALA 326 Ca 0.23 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1n6f s ALA 326 Cb 0.20 -3.19 0.11 0.00 0.00 0.00 0.00 23.12 20.23 1n6f s ALA 326 CO 0.03 -0.60 1.13 -1.83 0.00 0.00 0.00 175.76 174.50 1n6f s GLU 327 N -4.05 0.64 -1.35 0.00 -1.05 0.26 -4.94 118.70 108.21 1n6f s GLU 327 Ca 0.62 -0.32 -0.04 0.00 -0.15 0.00 0.00 54.97 55.08 1n6f s GLU 327 Cb -0.14 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 1n6f s GLU 327 CO 0.34 -0.29 0.54 -3.47 0.95 0.00 0.00 175.26 173.34 1n6f n ASP 328 N -0.37 -5.56 -4.73 0.83 4.64 -1.26 -0.73 116.55 109.38 1n6f n ASP 328 Ca -0.06 -0.25 -0.42 0.00 -1.38 0.00 0.00 54.79 52.68 1n6f n ASP 328 Cb 0.61 -4.38 -0.03 0.00 -1.04 0.00 0.00 41.12 36.28 1n6f n ASP 328 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1n6f s PHE 329 N -3.10 2.90 -0.03 -0.67 -0.12 -1.26 -4.34 117.98 111.35 1n6f s PHE 329 Ca 0.27 0.48 -0.08 0.00 -0.05 0.00 0.00 56.93 57.55 1n6f s PHE 329 Cb -0.12 -4.10 0.01 0.00 -0.63 0.00 0.00 43.02 38.19 1n6f s PHE 329 CO 0.33 -4.04 0.18 0.45 -0.05 0.00 0.00 175.22 172.10 1n6f s SER 330 N 1.02 -0.10 0.01 1.98 0.15 0.16 -5.00 113.70 111.92 1n6f s SER 330 Ca 0.72 0.10 -0.25 0.00 0.70 0.00 0.00 55.95 57.21 1n6f s SER 330 Cb -0.48 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 1n6f s SER 330 CO 0.35 -0.24 0.78 -2.16 1.20 0.00 0.00 173.24 173.17 1n6f s PRO 331 N -0.71 4.49 0.30 5.44 0.04 -1.26 -0.78 135.00 142.52 1n6f s PRO 331 Ca -0.08 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1n6f s PRO 331 Cb -0.05 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1n6f s PRO 331 CO 0.01 0.17 0.18 1.28 0.04 0.00 0.00 177.00 178.69 1n6f n LEU 332 N 3.24 0.00 -4.76 -3.56 4.77 0.93 -4.76 117.00 112.87 1n6f n LEU 332 Ca -0.01 -1.65 -0.30 0.00 -0.03 0.00 0.00 56.01 54.01 1n6f n LEU 332 Cb 0.51 0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1n6f n LEU 332 CO 0.48 -0.40 0.69 -1.81 -1.33 0.00 0.00 177.39 175.02 1n6f s ASP 333 N -2.77 4.22 -1.49 -1.43 -0.00 -1.26 -3.56 116.67 110.38 1n6f s ASP 333 Ca 0.14 1.56 -0.06 0.00 -0.00 0.00 0.00 52.55 54.19 1n6f s ASP 333 Cb -0.01 -2.28 0.02 0.00 -0.00 0.00 0.00 42.92 40.65 1n6f s ASP 333 CO 0.09 -2.18 0.67 0.61 -0.00 0.00 0.00 175.17 174.36 1n6f n GLY 334 N -1.46 -0.52 3.85 0.21 0.00 -1.26 -2.32 105.19 103.68 1n6f n GLY 334 Ca 0.08 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1n6f n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n6f n ASP 335 N -2.56 -3.27 -4.80 1.61 4.64 -1.25 -4.98 116.55 105.95 1n6f n ASP 335 Ca -0.08 -0.81 -0.22 0.00 -1.38 0.00 0.00 54.79 52.30 1n6f n ASP 335 Cb 0.60 -3.88 -0.05 0.00 -1.04 0.00 0.00 41.12 36.75 1n6f n ASP 335 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1n6f s LEU 336 N -7.06 3.45 0.02 -2.67 1.43 -0.98 -4.40 118.68 108.47 1n6f s LEU 336 Ca 0.40 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1n6f s LEU 336 Cb -0.20 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1n6f s LEU 336 CO 0.83 -0.33 -0.19 -0.63 0.23 0.00 0.00 176.35 176.26 1n6f s ILE 337 N -2.36 1.52 0.10 -0.59 -1.09 0.15 -0.05 121.20 118.88 1n6f s ILE 337 Ca 0.39 -0.99 0.07 0.00 -2.23 0.00 0.00 60.65 57.89 1n6f s ILE 337 Cb -0.04 -1.30 -0.03 0.00 -1.58 0.00 0.00 42.46 39.51 1n6f s ILE 337 CO 0.25 0.28 -0.17 0.00 -1.23 0.00 0.00 174.94 174.07 1n6f s ALA 338 N -0.63 1.51 0.16 9.38 0.00 0.04 -0.41 121.76 131.80 1n6f s ALA 338 Ca 0.07 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 1n6f s ALA 338 Cb -0.08 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1n6f s ALA 338 CO 0.01 0.24 0.95 -0.59 0.00 0.00 0.00 175.76 176.36 1n6f s PHE 339 N -1.40 -0.13 0.02 0.00 -0.12 -0.99 -0.67 117.98 114.70 1n6f s PHE 339 Ca 0.04 -0.18 0.07 0.00 -0.05 0.00 0.00 56.93 56.81 1n6f s PHE 339 Cb -0.09 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1n6f s PHE 339 CO 0.03 -0.85 -0.22 0.08 -0.05 0.00 0.00 175.22 174.22 1n6f s VAL 340 N -3.31 1.77 -0.20 -2.49 1.01 0.10 -1.52 120.40 115.76 1n6f s VAL 340 Ca 0.12 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1n6f s VAL 340 Cb -0.02 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.92 1n6f s VAL 340 CO 0.02 0.34 0.49 -0.55 0.00 0.00 0.00 175.10 175.41 1n6f s SER 341 N -0.93 -0.60 -1.56 3.32 0.15 0.09 0.89 113.70 115.06 1n6f s SER 341 Ca 0.09 1.05 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 1n6f s SER 341 Cb -0.09 0.98 0.13 0.00 -1.71 0.00 0.00 66.02 65.32 1n6f s SER 341 CO 0.01 -0.19 0.75 -1.14 1.20 0.00 0.00 173.24 173.87 1n6f n ARG 342 N 3.71 -3.66 -0.17 5.44 0.63 -1.16 -0.01 116.66 121.45 1n6f n ARG 342 Ca -0.19 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1n6f n ARG 342 Cb 0.56 -5.19 0.00 0.00 0.45 0.00 0.00 32.46 28.28 1n6f n ARG 342 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n6f n GLY 343 N -1.38 2.15 3.95 5.14 0.00 -1.26 -4.88 105.19 108.90 1n6f n GLY 343 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1n6f n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n6f s GLN 344 N -0.18 3.30 0.11 1.61 -0.21 0.98 -1.98 119.66 123.30 1n6f s GLN 344 Ca 0.00 -0.85 0.08 0.00 0.02 0.00 0.00 55.36 54.60 1n6f s GLN 344 Cb 0.00 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 1n6f s GLN 344 CO 0.00 0.37 -0.19 0.00 -2.12 0.00 0.00 175.29 173.35 1n6f s ALA 345 N -2.04 1.74 0.01 6.09 0.00 -1.26 -0.73 121.76 125.56 1n6f s ALA 345 Ca 0.35 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1n6f s ALA 345 Cb -0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1n6f s ALA 345 CO 0.29 0.28 0.10 -0.06 0.00 0.00 0.00 175.76 176.36 1n6f s PHE 346 N -1.48 0.10 -0.21 0.00 0.40 -0.57 -1.25 117.98 114.96 1n6f s PHE 346 Ca 0.08 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1n6f s PHE 346 Cb -0.08 -0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.39 1n6f s PHE 346 CO 0.04 -0.27 -0.15 0.42 0.70 0.00 0.00 175.22 175.97 1n6f s ILE 347 N -1.49 2.29 0.15 0.64 1.09 0.80 -2.33 121.20 122.35 1n6f s ILE 347 Ca -0.14 -1.09 -0.06 0.00 -1.10 0.00 0.00 60.65 58.26 1n6f s ILE 347 Cb -0.08 -2.09 -0.02 0.00 -1.06 0.00 0.00 42.46 39.21 1n6f s ILE 347 CO 0.01 0.35 0.20 0.00 -0.10 0.00 0.00 174.94 175.39 1n6f s GLN 348 N 1.26 1.08 0.44 2.79 -2.07 0.46 0.30 119.66 123.92 1n6f s GLN 348 Ca 0.01 -1.29 -0.10 0.00 -1.82 0.00 0.00 55.36 52.15 1n6f s GLN 348 Cb -0.15 0.32 -0.06 0.00 -1.09 0.00 0.00 33.01 32.03 1n6f s GLN 348 CO -0.09 -0.36 0.81 0.16 -1.32 0.00 0.00 175.29 174.49 1n6f s ASP 349 N -3.01 6.48 0.33 12.60 -4.77 -1.10 0.32 116.67 127.53 1n6f s ASP 349 Ca 0.21 1.17 0.13 0.00 -3.30 0.00 0.00 52.55 50.76 1n6f s ASP 349 Cb 0.05 -2.34 1.03 0.00 -1.09 0.00 0.00 42.92 40.57 1n6f s ASP 349 CO 0.01 -0.48 1.68 -0.37 0.70 0.00 0.00 175.17 176.71 1n6f h VAL 350 N 0.85 0.35 0.00 2.11 -1.51 -1.92 0.42 116.25 116.56 1n6f h VAL 350 Ca -0.47 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1n6f h VAL 350 Cb 1.19 -0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1n6f h VAL 350 CO 0.63 0.07 -0.01 -1.28 -1.23 0.00 0.00 177.57 175.75 1n6f h SER 351 N 0.38 0.00 -0.19 4.19 0.87 -1.83 -0.85 113.55 116.12 1n6f h SER 351 Ca 0.71 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 61.19 1n6f h SER 351 Cb 1.56 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.48 1n6f h SER 351 CO -0.58 0.01 -0.07 0.61 -0.53 0.00 0.00 176.83 176.26 1n6f n GLY 352 N -1.28 0.68 0.14 5.77 0.00 0.15 -4.37 105.19 106.28 1n6f n GLY 352 Ca -0.03 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1n6f n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f h THR 353 N 0.00 0.90 -3.26 2.61 1.03 -1.86 -3.41 112.91 108.91 1n6f h THR 353 Ca -0.08 -2.45 -0.73 0.00 -0.01 0.00 0.00 66.41 63.14 1n6f h THR 353 Cb 0.35 2.70 -0.28 0.00 -1.07 0.00 0.00 68.15 69.84 1n6f h THR 353 CO 0.12 0.82 -0.35 -0.31 -0.01 0.00 0.00 175.52 175.79 1n6f s TYR 354 N -2.55 3.40 -0.14 0.00 1.51 -1.26 -5.04 117.35 113.27 1n6f s TYR 354 Ca -0.18 -1.77 -0.00 0.00 -1.01 0.00 0.00 57.07 54.11 1n6f s TYR 354 Cb 0.05 -3.56 -0.01 0.00 -0.11 0.00 0.00 41.96 38.33 1n6f s TYR 354 CO 0.81 -1.00 -0.13 0.08 -1.11 0.00 0.00 175.55 174.20 1n6f s VAL 355 N 1.38 2.96 -0.11 0.71 1.01 -1.26 -2.72 120.40 122.38 1n6f s VAL 355 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1n6f s VAL 355 Cb -0.27 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1n6f s VAL 355 CO -0.00 0.52 -0.16 -0.76 0.00 0.00 0.00 175.10 174.69 1n6f s LEU 356 N 0.48 2.54 -0.18 3.92 1.43 0.15 -4.96 118.68 122.06 1n6f s LEU 356 Ca -0.10 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 1n6f s LEU 356 Cb -0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1n6f s LEU 356 CO 0.04 0.19 0.31 -0.75 0.23 0.00 0.00 176.35 176.38 1n6f s LYS 357 N 0.19 4.23 0.16 1.70 2.20 -1.26 -0.14 119.74 126.81 1n6f s LYS 357 Ca -0.10 0.10 -0.32 0.00 -0.36 0.00 0.00 55.97 55.30 1n6f s LYS 357 Cb -0.16 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 1n6f s LYS 357 CO 0.06 0.15 1.56 0.08 -0.36 0.00 0.00 175.35 176.84 1n6f s VAL 358 N 0.72 2.65 -1.26 4.02 1.01 -0.38 -4.90 120.40 122.26 1n6f s VAL 358 Ca 0.17 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 1n6f s VAL 358 Cb -0.13 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1n6f s VAL 358 CO 0.05 0.04 1.72 -2.16 0.00 0.00 0.00 175.10 174.74 1n6f s PRO 359 N 1.16 3.88 -0.17 2.72 0.04 -1.26 -4.72 135.00 136.65 1n6f s PRO 359 Ca 0.70 -1.86 -0.16 0.00 0.04 0.00 0.00 61.00 59.72 1n6f s PRO 359 Cb -0.43 -5.51 0.04 0.00 0.04 0.00 0.00 34.50 28.65 1n6f s PRO 359 CO 0.31 -2.33 0.46 -1.21 0.04 0.00 0.00 177.00 174.26 1n6f s GLU 360 N 4.42 0.53 1.23 4.56 0.41 -1.26 -5.05 118.70 123.55 1n6f s GLU 360 Ca 0.54 0.64 -0.18 0.00 -0.41 0.00 0.00 54.97 55.55 1n6f s GLU 360 Cb 0.03 0.25 0.26 0.00 -1.78 0.00 0.00 34.13 32.90 1n6f s GLU 360 CO 0.06 -0.07 0.59 -0.35 -0.49 0.00 0.00 175.26 175.01 1n6f n PRO 361 N 2.86 -3.14 -1.57 0.39 -0.04 -1.26 -4.89 135.00 127.35 1n6f n PRO 361 Ca -0.13 -0.92 -0.40 0.00 -0.04 0.00 0.00 63.50 62.01 1n6f n PRO 361 Cb 0.57 -1.81 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1n6f n PRO 361 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n6f n LEU 362 N -3.68 2.28 -1.94 1.53 4.77 -1.26 -4.56 117.00 114.14 1n6f n LEU 362 Ca 0.07 0.91 -0.01 0.00 -0.03 0.00 0.00 56.01 56.95 1n6f n LEU 362 Cb 0.53 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1n6f n LEU 362 CO 0.42 -2.00 -0.08 0.54 -1.33 0.00 0.00 177.39 174.94 1n6f n ARG 363 N -0.12 -1.02 -3.69 3.23 5.12 -1.20 -4.56 116.66 114.42 1n6f n ARG 363 Ca 0.11 1.18 -0.38 0.00 -1.93 0.00 0.00 57.85 56.83 1n6f n ARG 363 Cb 0.43 -2.72 -0.10 0.00 -1.16 0.00 0.00 32.46 28.91 1n6f n ARG 363 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1n6f s ILE 364 N -1.05 3.74 0.07 0.55 1.01 -0.84 0.16 121.20 124.85 1n6f s ILE 364 Ca 0.04 -2.45 -0.22 0.00 0.00 0.00 0.00 60.65 58.02 1n6f s ILE 364 Cb -0.01 -3.47 -0.13 0.00 0.01 0.00 0.00 42.46 38.85 1n6f s ILE 364 CO 0.27 -0.81 1.63 0.03 0.00 0.00 0.00 174.94 176.06 1n6f h ARG 365 N 7.64 0.11 -4.91 2.79 3.08 -0.75 -3.44 114.38 118.90 1n6f h ARG 365 Ca -0.08 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.65 1n6f h ARG 365 Cb 1.01 -0.02 -0.17 0.00 0.08 0.00 0.00 29.97 30.87 1n6f h ARG 365 CO 0.73 0.21 -0.73 0.71 -1.07 0.00 0.00 179.97 179.83 1n6f s TYR 366 N -5.66 1.04 -0.03 3.04 1.51 -1.20 -4.95 117.35 111.10 1n6f s TYR 366 Ca -0.14 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 1n6f s TYR 366 Cb 0.06 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1n6f s TYR 366 CO 0.68 -0.02 -0.03 0.08 -1.11 0.00 0.00 175.55 175.15 1n6f s VAL 367 N -2.65 0.42 -0.00 0.71 1.01 -1.26 -0.86 120.40 117.77 1n6f s VAL 367 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1n6f s VAL 367 Cb -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1n6f s VAL 367 CO -0.01 0.19 0.00 -0.13 0.00 0.00 0.00 175.10 175.15 1n6f s ARG 368 N 0.77 0.03 0.12 2.72 3.00 0.16 -4.91 118.95 120.84 1n6f s ARG 368 Ca -0.09 0.02 -0.33 0.00 0.00 0.00 0.00 55.73 55.32 1n6f s ARG 368 Cb -0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 34.95 34.62 1n6f s ARG 368 CO -0.00 -0.02 1.67 -2.13 0.00 0.00 0.00 175.30 174.81 1n6f n ARG 369 N 3.28 2.29 0.00 3.54 3.00 -1.26 0.65 116.66 128.16 1n6f n ARG 369 Ca -0.15 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 58.53 1n6f n ARG 369 Cb 0.58 -2.63 0.00 0.00 0.00 0.00 0.00 32.46 30.41 1n6f n ARG 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n6f n GLY 370 N 3.71 -0.15 0.00 5.14 0.00 -0.70 -4.61 105.19 108.58 1n6f n GLY 370 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n6f n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 371 N 0.09 -1.63 0.22 -0.02 0.00 -0.49 -4.49 105.19 98.87 1n6f n GLY 371 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 46.02 44.93 1n6f n GLY 371 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n6f h ASP 372 N 0.00 -0.20 0.00 1.61 3.45 -2.00 -3.22 116.42 116.06 1n6f h ASP 372 Ca 0.00 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1n6f h ASP 372 Cb 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1n6f h ASP 372 CO 0.00 -0.07 0.00 0.35 -1.57 0.00 0.00 179.24 177.95 1n6f n THR 373 N -5.23 0.29 -3.99 0.35 -2.24 -1.26 -4.71 114.28 97.49 1n6f n THR 373 Ca 0.07 -0.47 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 1n6f n THR 373 Cb 0.31 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 1n6f n THR 373 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n6f s LYS 374 N -0.29 3.18 -0.00 -0.78 1.02 -1.22 -1.65 119.74 120.00 1n6f s LYS 374 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1n6f s LYS 374 Cb 0.00 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1n6f s LYS 374 CO 0.00 0.60 0.00 0.54 -0.92 0.00 0.00 175.35 175.57 1n6f s VAL 375 N -1.42 0.00 0.17 3.17 0.11 0.22 -1.40 120.40 121.26 1n6f s VAL 375 Ca 0.31 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1n6f s VAL 375 Cb -0.13 -0.03 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 1n6f s VAL 375 CO 0.24 0.01 0.38 0.00 -3.33 0.00 0.00 175.10 172.40 1n6f s ALA 376 N 0.12 3.81 0.09 1.54 0.00 0.21 -0.69 121.76 126.84 1n6f s ALA 376 Ca -0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 1n6f s ALA 376 Cb -0.02 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1n6f s ALA 376 CO -0.00 0.57 0.21 -0.59 0.00 0.00 0.00 175.76 175.95 1n6f s PHE 377 N -1.75 0.10 -0.29 0.00 -0.12 0.27 0.40 117.98 116.60 1n6f s PHE 377 Ca 0.40 -0.50 -0.05 0.00 -0.05 0.00 0.00 56.93 56.73 1n6f s PHE 377 Cb -0.12 -0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1n6f s PHE 377 CO 0.27 -0.55 0.04 0.42 -0.05 0.00 0.00 175.22 175.35 1n6f s ILE 378 N -3.72 3.56 -0.22 -4.49 -1.09 -0.04 0.66 121.20 115.86 1n6f s ILE 378 Ca 0.04 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.39 1n6f s ILE 378 Cb 0.04 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.98 1n6f s ILE 378 CO -0.10 0.03 0.25 -2.28 -1.23 0.00 0.00 174.94 171.61 1n6f s HIS 379 N 1.41 3.34 -0.09 3.97 5.65 0.58 -0.00 115.29 130.15 1n6f s HIS 379 Ca 0.00 0.38 -0.05 0.00 0.25 0.00 0.00 55.06 55.64 1n6f s HIS 379 Cb -0.18 -2.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.82 1n6f s HIS 379 CO 0.01 0.04 0.10 0.20 -0.65 0.00 0.00 174.74 174.43 1n6f s GLY 380 N 1.04 2.06 0.33 1.59 0.00 0.42 -1.16 107.32 111.60 1n6f s GLY 380 Ca 0.12 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.18 1n6f s GLY 380 CO 0.06 -0.49 0.20 -1.30 0.00 0.00 0.00 173.10 171.57 1n6f n THR 381 N 1.88 0.00 0.17 0.90 -2.24 0.96 -4.44 114.28 111.51 1n6f n THR 381 Ca -0.18 -2.19 0.04 0.00 -2.27 0.00 0.00 64.05 59.45 1n6f n THR 381 Cb 0.54 0.96 0.46 0.00 -2.10 0.00 0.00 70.33 70.20 1n6f n THR 381 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1n6f h ARG 382 N 0.00 0.13 0.06 -0.78 2.43 -1.98 -2.68 114.38 111.56 1n6f h ARG 382 Ca -0.25 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.66 1n6f h ARG 382 Cb 1.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1n6f h ARG 382 CO 0.37 0.26 -1.09 0.93 -1.51 0.00 0.00 179.97 178.93 1n6f h GLU 383 N 0.12 0.20 0.00 0.20 4.39 -2.00 -3.50 114.58 113.99 1n6f h GLU 383 Ca 0.03 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1n6f h GLU 383 Cb 0.30 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1n6f h GLU 383 CO 0.02 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.38 1n6f n GLY 384 N 1.32 -0.53 3.62 -3.84 0.00 -1.01 -4.96 105.19 99.78 1n6f n GLY 384 Ca -0.05 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1n6f n GLY 384 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n6f s ASP 385 N -4.00 4.83 0.05 1.61 -0.00 -0.69 -0.02 116.67 118.45 1n6f s ASP 385 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 52.55 52.58 1n6f s ASP 385 Cb 0.00 -1.24 -0.02 0.00 -0.00 0.00 0.00 42.92 41.66 1n6f s ASP 385 CO 0.00 0.34 -0.10 -0.36 -0.00 0.00 0.00 175.17 175.05 1n6f s PHE 386 N -0.89 0.89 0.10 4.23 0.40 -0.31 -1.25 117.98 121.14 1n6f s PHE 386 Ca 0.14 -0.46 -0.23 0.00 -0.60 0.00 0.00 56.93 55.78 1n6f s PHE 386 Cb -0.11 -0.52 -0.07 0.00 0.51 0.00 0.00 43.02 42.83 1n6f s PHE 386 CO 0.04 -0.02 0.70 -1.17 0.70 0.00 0.00 175.22 175.47 1n6f s LEU 387 N -1.55 4.53 0.06 -0.37 1.98 -1.26 -0.31 118.68 121.76 1n6f s LEU 387 Ca -0.06 1.45 0.01 0.00 -2.89 0.00 0.00 54.13 52.65 1n6f s LEU 387 Cb -0.10 -3.14 -0.03 0.00 0.66 0.00 0.00 46.19 43.58 1n6f s LEU 387 CO 0.01 0.17 -0.06 -0.83 -1.89 0.00 0.00 176.35 173.75 1n6f s GLY 388 N -0.79 0.54 0.05 7.98 0.00 0.21 -2.67 107.32 112.63 1n6f s GLY 388 Ca 0.34 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 44.13 1n6f s GLY 388 CO 0.23 -1.08 -0.18 -0.42 0.00 0.00 0.00 173.10 171.65 1n6f s ILE 389 N -2.52 1.48 -0.02 0.90 1.01 -1.10 0.98 121.20 121.93 1n6f s ILE 389 Ca -0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 1n6f s ILE 389 Cb -0.02 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.15 1n6f s ILE 389 CO -0.03 0.12 0.15 -0.47 0.00 0.00 0.00 174.94 174.71 1n6f s TYR 390 N -0.84 -0.03 -0.26 3.97 5.04 0.13 -2.68 117.35 122.68 1n6f s TYR 390 Ca 0.05 0.06 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 1n6f s TYR 390 Cb -0.09 -0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.28 1n6f s TYR 390 CO 0.02 -0.22 -0.06 0.34 -1.34 0.00 0.00 175.55 174.29 1n6f s ASP 391 N -0.91 4.17 0.00 4.32 3.68 -0.58 0.73 116.67 128.07 1n6f s ASP 391 Ca -0.10 -1.38 0.04 0.00 2.13 0.00 0.00 52.55 53.24 1n6f s ASP 391 Cb -0.06 -1.34 0.26 0.00 -1.45 0.00 0.00 42.92 40.33 1n6f s ASP 391 CO 0.01 -0.24 0.95 0.00 0.13 0.00 0.00 175.17 176.02 1n6f n TYR 392 N 4.55 0.00 -0.08 -5.34 0.18 -0.66 -1.23 117.16 114.59 1n6f n TYR 392 Ca -0.11 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.52 1n6f n TYR 392 Cb 0.43 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.34 1n6f n TYR 392 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1n6f n ARG 393 N -0.59 0.38 0.12 -3.48 0.63 -1.26 -4.74 116.66 107.71 1n6f n ARG 393 Ca 0.03 0.16 -0.23 0.00 -0.92 0.00 0.00 57.85 56.90 1n6f n ARG 393 Cb 0.02 -1.14 -0.15 0.00 0.45 0.00 0.00 32.46 31.63 1n6f n ARG 393 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1n6f h THR 394 N -0.66 1.19 0.00 5.15 1.35 -1.92 -3.48 112.91 114.54 1n6f h THR 394 Ca -0.32 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 1n6f h THR 394 Cb 1.17 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 1n6f h THR 394 CO -0.20 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1n6f n GLY 395 N 1.73 2.33 3.63 5.82 0.00 -0.36 -5.08 105.19 113.26 1n6f n GLY 395 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1n6f n GLY 395 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n6f n LYS 396 N -0.55 1.53 -2.95 1.61 2.85 -1.26 -4.70 118.16 114.68 1n6f n LYS 396 Ca 0.00 0.54 -0.10 0.00 -1.05 0.00 0.00 58.31 57.71 1n6f n LYS 396 Cb 0.00 -2.12 -0.02 0.00 -0.65 0.00 0.00 35.03 32.24 1n6f n LYS 396 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n6f s ALA 397 N -1.23 -1.25 0.84 0.58 0.00 -1.26 -1.53 121.76 117.91 1n6f s ALA 397 Ca 0.62 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 1n6f s ALA 397 Cb -0.56 -2.43 0.10 0.00 0.00 0.00 0.00 23.12 20.22 1n6f s ALA 397 CO 0.58 -2.17 1.09 -2.00 0.00 0.00 0.00 175.76 173.25 1n6f s GLU 398 N 0.76 1.71 -0.28 0.00 2.12 -1.09 -4.90 118.70 117.02 1n6f s GLU 398 Ca 0.29 0.97 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 1n6f s GLU 398 Cb 0.00 -1.85 0.13 0.00 0.26 0.00 0.00 34.13 32.67 1n6f s GLU 398 CO -0.08 -1.97 0.27 0.21 -0.54 0.00 0.00 175.26 173.15 1n6f s LYS 399 N -4.92 0.29 0.96 4.30 2.20 -1.26 -2.72 119.74 118.60 1n6f s LYS 399 Ca 0.62 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.99 1n6f s LYS 399 Cb -0.18 -0.77 0.10 0.00 -1.51 0.00 0.00 37.83 35.48 1n6f s LYS 399 CO 0.56 -0.97 0.72 1.19 -0.36 0.00 0.00 175.35 176.49 1n6f n PHE 400 N 5.31 -0.51 -0.01 4.03 0.99 -1.09 -4.98 117.46 121.20 1n6f n PHE 400 Ca -0.03 0.27 0.07 0.00 -0.00 0.00 0.00 57.45 57.76 1n6f n PHE 400 Cb 0.46 -1.85 -0.11 0.00 -1.00 0.00 0.00 39.48 36.98 1n6f n PHE 400 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1n6f n GLU 401 N -2.98 0.46 -1.61 -1.08 -0.58 -1.26 -4.70 120.64 108.89 1n6f n GLU 401 Ca 0.08 -0.13 -0.46 0.00 -0.42 0.00 0.00 57.16 56.23 1n6f n GLU 401 Cb 0.54 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 30.02 1n6f n GLU 401 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1n6f n GLU 402 N -2.01 2.03 -2.37 3.49 -0.58 -1.26 -4.92 120.64 115.01 1n6f n GLU 402 Ca -0.03 0.66 -0.42 0.00 -0.42 0.00 0.00 57.16 56.95 1n6f n GLU 402 Cb 0.39 -2.90 -0.03 0.00 -0.57 0.00 0.00 31.44 28.33 1n6f n GLU 402 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1n6f s ASN 403 N 6.29 7.01 0.00 1.62 3.04 -1.26 -4.55 114.94 127.09 1n6f s ASN 403 Ca 0.98 2.01 0.20 0.00 0.04 0.00 0.00 52.86 56.10 1n6f s ASN 403 Cb -0.54 -2.57 0.03 0.00 -1.54 0.00 0.00 41.25 36.62 1n6f s ASN 403 CO 0.43 -0.56 1.04 0.18 -3.04 0.00 0.00 177.10 175.16 1n6f n LEU 404 N 4.49 2.08 0.00 3.21 4.77 -0.38 -5.03 117.00 126.14 1n6f n LEU 404 Ca 0.10 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1n6f n LEU 404 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1n6f n LEU 404 CO 0.56 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1n6f n GLY 405 N 1.30 0.13 3.28 -0.72 0.00 -1.25 -4.68 105.19 103.25 1n6f n GLY 405 Ca 0.09 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.16 1n6f n GLY 405 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n6f s ASN 406 N -4.00 6.08 0.23 1.61 0.01 -1.26 -1.70 114.94 115.91 1n6f s ASN 406 Ca 0.00 -1.94 -0.30 0.00 -0.71 0.00 0.00 52.86 49.92 1n6f s ASN 406 Cb 0.00 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.43 1n6f s ASN 406 CO 0.00 -0.77 1.19 -0.69 -1.51 0.00 0.00 177.10 175.32 1n6f s VAL 407 N 1.36 3.41 0.00 1.60 1.01 -1.26 -1.57 120.40 124.95 1n6f s VAL 407 Ca 0.06 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1n6f s VAL 407 Cb -0.27 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1n6f s VAL 407 CO 0.01 0.24 0.17 0.49 0.00 0.00 0.00 175.10 176.01 1n6f n PHE 408 N 1.92 0.00 -3.67 5.22 3.01 -0.04 -4.96 117.46 118.94 1n6f n PHE 408 Ca 0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.35 1n6f n PHE 408 Cb 0.44 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.83 1n6f n PHE 408 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n6f s ALA 409 N -0.20 -1.50 -0.16 4.37 0.00 -1.22 -4.99 121.76 118.06 1n6f s ALA 409 Ca 0.00 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 1n6f s ALA 409 Cb 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.16 1n6f s ALA 409 CO 0.00 -0.29 0.37 1.41 0.00 0.00 0.00 175.76 177.25 1n6f s MET 410 N 0.44 0.34 0.10 0.00 1.75 -1.26 -1.70 119.30 118.97 1n6f s MET 410 Ca -0.01 0.76 0.01 0.00 -1.25 0.00 0.00 55.69 55.20 1n6f s MET 410 Cb -0.04 -0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.57 1n6f s MET 410 CO -0.01 -0.17 -0.05 0.20 -0.65 0.00 0.00 175.02 174.34 1n6f s GLY 411 N 1.54 0.75 0.01 2.11 0.00 -0.29 -4.93 107.32 106.50 1n6f s GLY 411 Ca -0.08 -1.35 0.06 0.00 0.00 0.00 0.00 44.72 43.35 1n6f s GLY 411 CO -0.12 -1.43 -0.18 0.14 0.00 0.00 0.00 173.10 171.51 1n6f s VAL 412 N -3.70 1.44 0.89 1.40 1.01 -1.26 -0.35 120.40 119.82 1n6f s VAL 412 Ca 0.12 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1n6f s VAL 412 Cb 0.06 -1.23 0.12 0.00 0.00 0.00 0.00 36.38 35.34 1n6f s VAL 412 CO -0.05 0.28 1.10 1.51 0.00 0.00 0.00 175.10 177.94 1n6f s ASP 413 N -0.75 3.46 0.55 3.32 3.84 -0.95 -4.90 116.67 121.23 1n6f s ASP 413 Ca 0.06 1.74 0.33 0.00 -0.00 0.00 0.00 52.55 54.68 1n6f s ASP 413 Cb -0.08 -2.37 1.35 0.00 -1.38 0.00 0.00 42.92 40.44 1n6f s ASP 413 CO 0.00 -2.69 1.98 -0.09 -0.00 0.00 0.00 175.17 174.38 1n6f h ARG 414 N -1.58 0.00 -0.02 2.11 2.43 -1.86 -2.41 114.38 113.05 1n6f h ARG 414 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1n6f h ARG 414 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1n6f h ARG 414 CO 0.51 0.00 -0.03 -1.71 -1.51 0.00 0.00 179.97 177.23 1n6f n ASN 415 N -3.10 1.78 -2.16 -3.80 4.05 -1.26 -4.97 115.26 105.80 1n6f n ASN 415 Ca 0.01 -1.55 -0.19 0.00 0.45 0.00 0.00 54.58 53.29 1n6f n ASN 415 Cb 0.31 0.02 -0.01 0.00 1.23 0.00 0.00 39.78 41.33 1n6f n ASN 415 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1n6f n GLY 416 N 1.23 -0.38 0.11 8.20 0.00 -0.91 -4.91 105.19 108.52 1n6f n GLY 416 Ca 0.17 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1n6f n GLY 416 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n6f n LYS 417 N -2.82 0.74 -4.32 1.61 5.02 -1.26 -4.89 118.16 112.22 1n6f n LYS 417 Ca -0.23 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 55.96 1n6f n LYS 417 Cb 0.67 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 34.11 1n6f n LYS 417 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1n6f s PHE 418 N -2.47 1.57 0.05 2.13 -0.71 -1.26 -1.00 117.98 116.29 1n6f s PHE 418 Ca -0.23 -1.37 0.02 0.00 -1.04 0.00 0.00 56.93 54.31 1n6f s PHE 418 Cb 0.07 -0.84 -0.03 0.00 -1.21 0.00 0.00 43.02 41.02 1n6f s PHE 418 CO 0.64 -0.53 -0.07 0.00 -1.34 0.00 0.00 175.22 173.93 1n6f s ALA 419 N -3.65 0.60 -0.12 1.99 0.00 -0.58 -2.25 121.76 117.75 1n6f s ALA 419 Ca 0.36 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1n6f s ALA 419 Cb 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1n6f s ALA 419 CO 0.17 -0.11 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 1n6f s VAL 420 N -2.05 3.68 0.03 0.00 1.01 0.53 -0.48 120.40 123.12 1n6f s VAL 420 Ca -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1n6f s VAL 420 Cb -0.05 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1n6f s VAL 420 CO -0.02 0.53 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 1n6f s VAL 421 N -0.01 0.95 0.00 2.92 1.01 -0.12 -1.14 120.40 124.00 1n6f s VAL 421 Ca -0.00 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1n6f s VAL 421 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1n6f s VAL 421 CO 0.03 0.01 -0.23 0.00 0.00 0.00 0.00 175.10 174.91 1n6f s ALA 422 N -0.75 1.96 0.38 5.51 0.00 -0.69 -1.51 121.76 126.65 1n6f s ALA 422 Ca 0.01 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1n6f s ALA 422 Cb -0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1n6f s ALA 422 CO 0.01 0.47 0.14 0.54 0.00 0.00 0.00 175.76 176.92 1n6f s ASN 423 N -0.75 2.43 0.00 0.00 6.03 -1.15 -0.86 114.94 120.64 1n6f s ASN 423 Ca 0.09 -1.63 0.19 0.00 -1.03 0.00 0.00 52.86 50.48 1n6f s ASN 423 Cb -0.09 0.44 1.12 0.00 -3.03 0.00 0.00 41.25 39.69 1n6f s ASN 423 CO -0.00 -0.91 1.55 -0.90 -2.03 0.00 0.00 177.10 174.81 1n6f n ASP 424 N -1.20 0.00 -0.69 3.54 5.75 -0.61 -1.79 116.55 121.55 1n6f n ASP 424 Ca -0.03 -0.81 0.12 0.00 -0.01 0.00 0.00 54.79 54.06 1n6f n ASP 424 Cb 0.65 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 41.09 1n6f n ASP 424 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1n6f n ARG 425 N -0.92 1.93 -1.81 0.11 1.74 -1.26 -4.92 116.66 111.53 1n6f n ARG 425 Ca 0.14 -1.38 -0.09 0.00 -0.77 0.00 0.00 57.85 55.75 1n6f n ARG 425 Cb 0.06 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1n6f n ARG 425 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1n6f n PHE 426 N 0.64 -0.26 -4.00 -1.55 0.99 -0.74 -4.76 117.46 107.78 1n6f n PHE 426 Ca 0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.34 1n6f n PHE 426 Cb 0.43 -2.10 -0.05 0.00 -1.00 0.00 0.00 39.48 36.76 1n6f n PHE 426 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1n6f s GLU 427 N -3.79 3.17 -0.06 -1.08 2.02 -1.25 -0.60 118.70 117.10 1n6f s GLU 427 Ca 0.00 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.36 1n6f s GLU 427 Cb 0.00 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1n6f s GLU 427 CO 0.00 0.54 -0.14 -1.50 0.02 0.00 0.00 175.26 174.18 1n6f s ILE 428 N -1.62 1.26 0.18 -1.63 2.07 -0.67 -2.95 121.20 117.84 1n6f s ILE 428 Ca 0.32 -0.57 -0.05 0.00 -1.41 0.00 0.00 60.65 58.95 1n6f s ILE 428 Cb -0.11 -1.13 -0.03 0.00 0.13 0.00 0.00 42.46 41.32 1n6f s ILE 428 CO 0.26 0.38 0.20 0.00 -1.91 0.00 0.00 174.94 173.87 1n6f s MET 429 N 0.53 1.17 -0.21 3.50 0.23 -0.57 0.28 119.30 124.22 1n6f s MET 429 Ca -0.13 -1.41 -0.01 0.00 -1.03 0.00 0.00 55.69 53.11 1n6f s MET 429 Cb -0.15 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.49 1n6f s MET 429 CO 0.04 -0.40 -0.12 0.95 -2.03 0.00 0.00 175.02 173.45 1n6f s THR 430 N -4.06 2.57 -0.24 3.16 -4.23 -0.42 -0.95 115.64 111.47 1n6f s THR 430 Ca 0.27 -0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.74 1n6f s THR 430 Cb 0.05 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1n6f s THR 430 CO 0.06 0.37 0.21 -0.69 -0.54 0.00 0.00 174.62 174.03 1n6f s VAL 431 N 1.32 5.32 -0.01 2.29 1.01 0.37 -1.88 120.40 128.82 1n6f s VAL 431 Ca 0.03 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1n6f s VAL 431 Cb -0.15 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1n6f s VAL 431 CO -0.08 0.30 1.75 -0.62 0.00 0.00 0.00 175.10 176.46 1n6f s ASP 432 N 1.21 6.59 0.00 3.32 -1.08 -0.94 -1.53 116.67 124.24 1n6f s ASP 432 Ca 0.09 2.41 0.18 0.00 -0.52 0.00 0.00 52.55 54.71 1n6f s ASP 432 Cb -0.14 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.60 1n6f s ASP 432 CO 0.06 -0.96 1.56 0.18 0.52 0.00 0.00 175.17 176.54 1n6f n LEU 433 N 7.04 0.00 -0.09 -1.34 4.77 -0.17 -1.17 117.00 126.04 1n6f n LEU 433 Ca 0.18 0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 56.49 1n6f n LEU 433 Cb 0.42 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1n6f n LEU 433 CO 0.64 -0.16 -0.61 1.21 -1.33 0.00 0.00 177.39 177.14 1n6f n GLU 434 N -1.41 0.51 -0.05 3.23 2.13 -1.26 -4.76 120.64 119.03 1n6f n GLU 434 Ca 0.06 0.26 -0.14 0.00 0.66 0.00 0.00 57.16 58.01 1n6f n GLU 434 Cb 0.18 -1.46 -0.12 0.00 0.27 0.00 0.00 31.44 30.31 1n6f n GLU 434 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1n6f h THR 435 N -0.99 1.64 0.00 6.31 1.35 -1.95 -3.48 112.91 115.78 1n6f h THR 435 Ca 0.00 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1n6f h THR 435 Cb 0.90 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1n6f h THR 435 CO 0.00 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1n6f n GLY 436 N 1.10 1.01 3.67 5.82 0.00 -0.32 -5.01 105.19 111.46 1n6f n GLY 436 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1n6f n GLY 436 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n6f s LYS 437 N -0.38 4.20 0.58 1.61 2.20 -1.26 -4.57 119.74 122.12 1n6f s LYS 437 Ca 0.00 2.20 -0.09 0.00 -0.36 0.00 0.00 55.97 57.72 1n6f s LYS 437 Cb 0.00 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1n6f s LYS 437 CO 0.00 -0.76 0.95 -1.25 -0.36 0.00 0.00 175.35 173.93 1n6f s PRO 438 N 3.28 3.54 -0.26 4.03 0.04 -1.26 -2.22 135.00 142.15 1n6f s PRO 438 Ca 0.72 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 1n6f s PRO 438 Cb -0.35 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.14 1n6f s PRO 438 CO 0.30 -0.47 0.33 0.99 0.04 0.00 0.00 177.00 178.19 1n6f s THR 439 N -3.04 -0.50 0.17 1.26 2.01 -0.79 -4.96 115.64 109.79 1n6f s THR 439 Ca 0.53 -0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 1n6f s THR 439 Cb -0.11 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 1n6f s THR 439 CO 0.51 -0.27 1.43 -0.69 -0.69 0.00 0.00 174.62 174.91 1n6f s VAL 440 N 2.45 3.00 -0.20 3.82 1.01 -1.26 -1.30 120.40 127.92 1n6f s VAL 440 Ca 0.10 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.68 1n6f s VAL 440 Cb -0.14 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1n6f s VAL 440 CO -0.23 0.08 -0.10 -0.38 0.00 0.00 0.00 175.10 174.47 1n6f n ILE 441 N 3.42 1.50 -3.63 2.22 5.41 0.14 -4.95 119.36 123.47 1n6f n ILE 441 Ca 0.10 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.71 1n6f n ILE 441 Cb 0.41 -2.15 -0.06 0.00 -0.71 0.00 0.00 39.64 37.14 1n6f n ILE 441 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1n6f s GLU 442 N -2.45 0.99 -0.07 0.38 2.12 -1.15 -5.02 118.70 113.49 1n6f s GLU 442 Ca -0.27 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 54.67 1n6f s GLU 442 Cb 0.07 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.91 1n6f s GLU 442 CO 0.45 -0.36 -0.11 0.50 -0.54 0.00 0.00 175.26 175.20 1n6f s ARG 443 N -2.77 1.60 0.36 4.30 3.52 -1.26 -1.68 118.95 123.03 1n6f s ARG 443 Ca -0.03 -0.35 -0.09 0.00 -0.13 0.00 0.00 55.73 55.13 1n6f s ARG 443 Cb -0.00 -1.40 -0.06 0.00 -1.56 0.00 0.00 34.95 31.92 1n6f s ARG 443 CO -0.04 -0.05 0.69 0.45 -0.81 0.00 0.00 175.30 175.54 1n6f s SER 444 N 0.92 6.49 0.00 -2.12 0.15 0.23 -4.99 113.70 114.38 1n6f s SER 444 Ca -0.10 0.99 0.09 0.00 0.70 0.00 0.00 55.95 57.63 1n6f s SER 444 Cb -0.15 -2.26 0.23 0.00 -1.71 0.00 0.00 66.02 62.13 1n6f s SER 444 CO 0.01 -0.33 1.16 -2.11 1.20 0.00 0.00 173.24 173.16 1n6f n ARG 445 N -1.18 2.53 -0.05 5.44 1.85 -1.26 -4.66 116.66 119.33 1n6f n ARG 445 Ca 0.01 -1.84 -0.10 0.00 -1.00 0.00 0.00 57.85 54.92 1n6f n ARG 445 Cb 0.54 -1.22 -0.04 0.00 -1.05 0.00 0.00 32.46 30.69 1n6f n ARG 445 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1n6f n GLU 446 N 0.38 0.22 -3.03 2.89 -0.58 -1.26 -5.09 120.64 114.16 1n6f n GLU 446 Ca 0.09 0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.84 1n6f n GLU 446 Cb 0.37 -0.91 -0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1n6f n GLU 446 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n6f n ALA 447 N -3.35 -0.62 -1.81 0.62 0.00 -1.26 -5.09 120.51 108.99 1n6f n ALA 447 Ca -0.20 -0.98 -0.32 0.00 0.00 0.00 0.00 53.44 51.94 1n6f n ALA 447 Cb 0.65 0.78 -0.03 0.00 0.00 0.00 0.00 19.45 20.85 1n6f n ALA 447 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1n6f s MET 448 N -2.33 3.90 -1.05 0.00 -1.94 -1.26 -4.63 119.30 111.99 1n6f s MET 448 Ca 0.16 1.03 -0.05 0.00 -1.71 0.00 0.00 55.69 55.12 1n6f s MET 448 Cb -0.02 -2.13 0.28 0.00 2.01 0.00 0.00 34.83 34.98 1n6f s MET 448 CO 0.11 -0.31 1.21 -0.89 -0.01 0.00 0.00 175.02 175.14 1n6f n ILE 449 N -1.46 4.59 1.00 2.53 5.41 -1.26 -4.76 119.36 125.41 1n6f n ILE 449 Ca 0.07 -5.58 0.11 0.00 1.00 0.00 0.00 62.75 58.35 1n6f n ILE 449 Cb 0.54 -2.32 -0.01 0.00 -0.71 0.00 0.00 39.64 37.14 1n6f n ILE 449 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1n6f n THR 450 N 1.95 0.00 -3.44 1.39 -2.24 -1.26 -4.61 114.28 106.06 1n6f n THR 450 Ca 0.25 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.58 1n6f n THR 450 Cb 0.36 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 1n6f n THR 450 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6f s ASP 451 N -2.98 6.26 0.13 3.42 3.68 -1.26 -4.93 116.67 120.98 1n6f s ASP 451 Ca 0.09 -2.60 -0.02 0.00 2.13 0.00 0.00 52.55 52.15 1n6f s ASP 451 Cb 0.16 -2.11 -0.04 0.00 -1.45 0.00 0.00 42.92 39.49 1n6f s ASP 451 CO 0.81 -0.56 0.09 0.72 0.13 0.00 0.00 175.17 176.36 1n6f s PHE 452 N 0.32 0.77 -0.02 -5.34 -0.71 -1.26 -1.04 117.98 110.70 1n6f s PHE 452 Ca 0.15 -1.15 -0.18 0.00 -1.04 0.00 0.00 56.93 54.71 1n6f s PHE 452 Cb -0.16 -0.41 0.03 0.00 -1.21 0.00 0.00 43.02 41.28 1n6f s PHE 452 CO -0.06 -0.54 0.38 -0.08 -1.34 0.00 0.00 175.22 173.59 1n6f s THR 453 N -4.03 0.05 -0.15 -4.49 -1.32 0.25 -4.99 115.64 100.96 1n6f s THR 453 Ca 0.22 -0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1n6f s THR 453 Cb 0.07 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.32 1n6f s THR 453 CO 0.01 -0.21 -0.03 -0.63 -2.21 0.00 0.00 174.62 171.55 1n6f s ILE 454 N -1.40 4.01 0.70 5.08 1.01 -1.26 -1.04 121.20 128.30 1n6f s ILE 454 Ca -0.12 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 1n6f s ILE 454 Cb -0.04 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.69 1n6f s ILE 454 CO 0.05 0.50 1.27 -0.94 0.00 0.00 0.00 174.94 175.81 1n6f s SER 455 N 0.24 4.30 0.59 3.58 1.04 -0.33 -4.87 113.70 118.26 1n6f s SER 455 Ca -0.02 2.54 0.32 0.00 0.48 0.00 0.00 55.95 59.28 1n6f s SER 455 Cb -0.14 -2.61 1.87 0.00 0.10 0.00 0.00 66.02 65.24 1n6f s SER 455 CO 0.03 -2.20 2.24 0.44 0.98 0.00 0.00 173.24 174.72 1n6f h ASP 456 N 0.11 0.00 -0.41 7.02 3.45 -1.83 0.10 116.42 124.86 1n6f h ASP 456 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1n6f h ASP 456 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 1n6f h ASP 456 CO 0.51 0.02 0.00 -0.46 -1.57 0.00 0.00 179.24 177.74 1n6f n ASN 457 N -3.63 2.95 -1.91 6.45 0.23 -1.26 -4.78 115.26 113.31 1n6f n ASN 457 Ca -0.03 -2.22 -0.15 0.00 -0.53 0.00 0.00 54.58 51.66 1n6f n ASN 457 Cb 0.12 -0.42 -0.04 0.00 -2.08 0.00 0.00 39.78 37.36 1n6f n ASN 457 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1n6f n SER 458 N 0.64 -4.17 -0.08 0.53 7.64 0.36 -4.84 113.62 113.70 1n6f n SER 458 Ca 0.16 0.25 -0.07 0.00 1.01 0.00 0.00 58.87 60.22 1n6f n SER 458 Cb 0.55 -3.67 -0.15 0.00 -1.01 0.00 0.00 64.21 59.93 1n6f n SER 458 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1n6f n ARG 459 N -2.40 0.95 -4.58 1.43 0.63 -1.26 -4.85 116.66 106.58 1n6f n ARG 459 Ca -0.16 -0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.45 1n6f n ARG 459 Cb 0.56 -1.47 -0.14 0.00 0.45 0.00 0.00 32.46 31.86 1n6f n ARG 459 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1n6f s PHE 460 N -2.54 2.31 -0.21 -0.14 0.40 -1.26 -0.01 117.98 116.53 1n6f s PHE 460 Ca -0.09 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1n6f s PHE 460 Cb 0.06 -1.30 0.06 0.00 0.51 0.00 0.00 43.02 42.35 1n6f s PHE 460 CO 0.76 0.26 -0.04 0.42 0.70 0.00 0.00 175.22 177.33 1n6f s ILE 461 N -0.97 1.24 -0.08 0.64 1.01 0.27 -1.18 121.20 122.14 1n6f s ILE 461 Ca 0.13 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1n6f s ILE 461 Cb -0.10 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1n6f s ILE 461 CO 0.05 -0.07 0.15 0.00 0.00 0.00 0.00 174.94 175.06 1n6f s ALA 462 N 1.54 3.87 0.05 9.38 0.00 -0.20 -0.69 121.76 135.71 1n6f s ALA 462 Ca -0.03 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 1n6f s ALA 462 Cb -0.18 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.11 1n6f s ALA 462 CO -0.07 0.67 0.66 1.52 0.00 0.00 0.00 175.76 178.54 1n6f s TYR 463 N -1.13 -0.57 -0.10 0.00 -0.85 -0.26 -0.58 117.35 113.85 1n6f s TYR 463 Ca 0.19 0.66 -0.27 0.00 -0.52 0.00 0.00 57.07 57.13 1n6f s TYR 463 Cb -0.12 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 1n6f s TYR 463 CO 0.09 -0.72 0.90 0.20 -1.52 0.00 0.00 175.55 174.51 1n6f s GLY 464 N -2.04 2.41 -0.38 5.49 0.00 -0.21 -0.17 107.32 112.43 1n6f s GLY 464 Ca -0.04 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.90 1n6f s GLY 464 CO -0.03 1.70 0.16 -0.12 0.00 0.00 0.00 173.10 174.81 1n6f s PHE 465 N 1.71 3.42 0.27 1.90 2.19 0.78 -4.72 117.98 123.54 1n6f s PHE 465 Ca 0.44 -2.00 -0.30 0.00 0.33 0.00 0.00 56.93 55.41 1n6f s PHE 465 Cb -0.18 -2.81 -0.10 0.00 -1.31 0.00 0.00 43.02 38.61 1n6f s PHE 465 CO 0.18 -0.88 1.41 -1.25 1.83 0.00 0.00 175.22 176.50 1n6f s PRO 466 N 1.26 4.29 0.13 10.12 0.04 -1.26 -2.14 135.00 147.43 1n6f s PRO 466 Ca 0.03 2.28 -0.14 0.00 0.04 0.00 0.00 61.00 63.20 1n6f s PRO 466 Cb -0.22 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1n6f s PRO 466 CO -0.01 -0.37 0.36 -0.48 0.04 0.00 0.00 177.00 176.54 1n6f s LEU 467 N -0.70 0.59 0.01 -3.56 0.05 0.33 -4.49 118.68 110.90 1n6f s LEU 467 Ca 0.57 -0.42 0.02 0.00 0.05 0.00 0.00 54.13 54.35 1n6f s LEU 467 Cb -0.41 1.68 -0.01 0.00 -2.05 0.00 0.00 46.19 45.40 1n6f s LEU 467 CO 0.46 -0.85 -0.07 -0.54 -0.55 0.00 0.00 176.35 174.80 1n6f s LYS 468 N -3.83 0.55 0.07 1.48 1.02 -1.26 -0.11 119.74 117.66 1n6f s LYS 468 Ca 0.04 -0.37 -0.17 0.00 0.02 0.00 0.00 55.97 55.49 1n6f s LYS 468 Cb 0.02 -0.49 -0.11 0.00 -0.52 0.00 0.00 37.83 36.73 1n6f s LYS 468 CO -0.11 0.13 1.39 0.45 -0.92 0.00 0.00 175.35 176.29 1n6f h HIS 469 N 5.62 0.66 -2.73 3.18 3.86 -1.94 -3.45 115.15 120.34 1n6f h HIS 469 Ca -0.31 -0.20 -0.61 0.00 -1.16 0.00 0.00 60.37 58.09 1n6f h HIS 469 Cb 1.19 -0.14 -0.16 0.00 1.06 0.00 0.00 27.41 29.36 1n6f h HIS 469 CO 0.46 0.88 -0.79 0.20 0.86 0.00 0.00 177.93 179.55 1n6f s GLY 470 N -3.56 1.76 0.27 2.45 0.00 -1.26 -5.04 107.32 101.93 1n6f s GLY 470 Ca -0.13 -1.74 -0.04 0.00 0.00 0.00 0.00 44.72 42.81 1n6f s GLY 470 CO 0.79 -1.80 1.94 -2.09 0.00 0.00 0.00 173.10 171.94 1n6f h GLU 471 N 2.75 1.23 -0.82 2.90 4.81 -2.03 -2.61 114.58 120.81 1n6f h GLU 471 Ca -0.43 -0.07 -0.43 0.00 -0.13 0.00 0.00 59.36 58.29 1n6f h GLU 471 Cb 1.23 -0.28 -0.25 0.00 0.63 0.00 0.00 28.75 30.08 1n6f h GLU 471 CO 0.54 0.81 0.45 0.25 -0.73 0.00 0.00 179.01 180.33 1n6f n THR 472 N -4.40 3.04 -2.17 0.32 -2.24 -1.26 -5.01 114.28 102.56 1n6f n THR 472 Ca 0.12 -2.23 -0.40 0.00 -2.27 0.00 0.00 64.05 59.27 1n6f n THR 472 Cb 0.04 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 1n6f n THR 472 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6f s ASP 473 N -1.70 6.66 0.29 3.42 -1.08 -0.99 -4.96 116.67 118.31 1n6f s ASP 473 Ca 0.54 2.58 0.15 0.00 -0.52 0.00 0.00 52.55 55.30 1n6f s ASP 473 Cb 0.46 -2.64 0.21 0.00 -1.46 0.00 0.00 42.92 39.49 1n6f s ASP 473 CO 0.07 -0.60 1.51 1.23 0.52 0.00 0.00 175.17 177.90 1n6f h GLY 474 N 3.11 0.00 -3.63 2.66 0.00 -1.95 -3.46 103.07 99.80 1n6f h GLY 474 Ca -0.49 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.20 1n6f h GLY 474 CO 0.64 0.00 -0.84 -0.19 0.00 0.00 0.00 176.54 176.16 1n6f s TYR 475 N -3.11 2.17 -0.26 5.60 1.51 -1.26 -5.12 117.35 116.88 1n6f s TYR 475 Ca 0.03 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.63 1n6f s TYR 475 Cb 0.09 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 1n6f s TYR 475 CO 0.74 0.37 0.06 0.08 -1.11 0.00 0.00 175.55 175.69 1n6f s VAL 476 N -1.40 4.11 0.69 0.71 1.01 -1.26 -4.80 120.40 119.46 1n6f s VAL 476 Ca 0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1n6f s VAL 476 Cb -0.09 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.38 1n6f s VAL 476 CO 0.07 0.26 1.00 -0.04 0.00 0.00 0.00 175.10 176.39 1n6f s MET 477 N 1.57 2.17 -0.08 2.72 -1.94 0.84 -4.86 119.30 119.72 1n6f s MET 477 Ca 0.05 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.64 1n6f s MET 477 Cb -0.16 -2.20 0.04 0.00 2.01 0.00 0.00 34.83 34.52 1n6f s MET 477 CO 0.03 -1.22 0.18 -1.14 -0.01 0.00 0.00 175.02 172.85 1n6f s GLN 478 N -5.21 0.11 -0.01 2.03 0.74 0.12 -0.51 119.66 116.93 1n6f s GLN 478 Ca 0.60 0.45 0.07 0.00 0.05 0.00 0.00 55.36 56.53 1n6f s GLN 478 Cb -0.10 -0.17 -0.02 0.00 1.10 0.00 0.00 33.01 33.82 1n6f s GLN 478 CO 0.44 -0.19 -0.22 0.00 -0.55 0.00 0.00 175.29 174.77 1n6f s ALA 479 N 1.40 1.86 0.15 1.58 0.00 -0.91 -2.03 121.76 123.80 1n6f s ALA 479 Ca -0.07 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1n6f s ALA 479 Cb -0.11 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 1n6f s ALA 479 CO -0.07 0.45 1.04 0.42 0.00 0.00 0.00 175.76 177.60 1n6f s ILE 480 N -0.54 4.14 0.14 0.00 -1.09 -1.26 -0.16 121.20 122.44 1n6f s ILE 480 Ca 0.09 1.83 0.10 0.00 -2.23 0.00 0.00 60.65 60.43 1n6f s ILE 480 Cb -0.09 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1n6f s ILE 480 CO -0.01 0.30 -0.21 -1.00 -1.23 0.00 0.00 174.94 172.80 1n6f s HIS 481 N -0.18 2.44 -0.13 3.97 3.76 0.77 -1.07 115.29 124.85 1n6f s HIS 481 Ca 0.48 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1n6f s HIS 481 Cb -0.27 -1.27 0.03 0.00 1.11 0.00 0.00 32.58 32.18 1n6f s HIS 481 CO 0.33 0.41 -0.07 0.08 -0.85 0.00 0.00 174.74 174.63 1n6f s VAL 482 N -1.29 1.08 -0.18 -0.90 1.01 0.03 -1.10 120.40 119.06 1n6f s VAL 482 Ca 0.18 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1n6f s VAL 482 Cb -0.10 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1n6f s VAL 482 CO 0.10 0.29 0.19 -0.47 0.00 0.00 0.00 175.10 175.20 1n6f s TYR 483 N 1.67 3.45 -0.30 5.22 5.04 0.13 0.28 117.35 132.85 1n6f s TYR 483 Ca 0.04 0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 55.01 1n6f s TYR 483 Cb -0.13 -2.20 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 1n6f s TYR 483 CO -0.08 0.33 0.17 0.34 -1.34 0.00 0.00 175.55 174.96 1n6f s ASP 484 N 0.23 5.71 0.43 4.32 -1.08 -0.93 -0.57 116.67 124.78 1n6f s ASP 484 Ca 0.12 -0.35 0.14 0.00 -0.52 0.00 0.00 52.55 51.94 1n6f s ASP 484 Cb -0.12 -2.05 1.02 0.00 -1.46 0.00 0.00 42.92 40.32 1n6f s ASP 484 CO 0.01 -0.15 1.96 0.24 0.52 0.00 0.00 175.17 177.74 1n6f h MET 485 N 8.37 0.42 -5.52 4.34 2.86 -0.77 -1.49 114.93 123.15 1n6f h MET 485 Ca -0.33 -0.03 -0.59 0.00 -2.06 0.00 0.00 59.70 56.69 1n6f h MET 485 Cb 1.16 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.63 1n6f h MET 485 CO 0.60 0.28 -0.28 -1.21 1.06 0.00 0.00 176.91 177.36 1n6f s GLU 486 N -5.41 4.26 0.00 1.72 2.02 -1.26 -3.60 118.70 116.42 1n6f s GLU 486 Ca -0.08 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1n6f s GLU 486 Cb 0.20 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1n6f s GLU 486 CO 0.76 0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.63 1n6f n GLY 487 N 3.46 2.97 3.85 -1.39 0.00 -1.26 -4.55 105.19 108.27 1n6f n GLY 487 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1n6f n GLY 487 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f n ARG 488 N -0.55 -2.69 -4.36 1.61 1.74 -0.56 -4.98 116.66 106.86 1n6f n ARG 488 Ca 0.00 0.43 -0.22 0.00 -0.77 0.00 0.00 57.85 57.29 1n6f n ARG 488 Cb 0.00 -4.39 -0.13 0.00 -1.02 0.00 0.00 32.46 26.92 1n6f n ARG 488 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1n6f s LYS 489 N -6.35 1.06 -0.16 5.56 -2.85 -1.22 -4.94 119.74 110.84 1n6f s LYS 489 Ca 0.17 -0.94 -0.15 0.00 -1.00 0.00 0.00 55.97 54.05 1n6f s LYS 489 Cb -0.06 -1.16 -0.04 0.00 -2.06 0.00 0.00 37.83 34.51 1n6f s LYS 489 CO 0.88 0.28 0.34 0.42 0.10 0.00 0.00 175.35 177.36 1n6f s ILE 490 N -1.00 5.27 0.20 3.79 1.01 -1.26 -2.18 121.20 127.02 1n6f s ILE 490 Ca 0.03 0.63 0.09 0.00 0.00 0.00 0.00 60.65 61.40 1n6f s ILE 490 Cb -0.09 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1n6f s ILE 490 CO 0.02 0.35 -0.09 -0.36 0.00 0.00 0.00 174.94 174.86 1n6f s PHE 491 N 0.65 2.61 -0.35 3.97 0.40 0.14 -4.94 117.98 120.47 1n6f s PHE 491 Ca 0.18 -0.23 -0.19 0.00 -0.60 0.00 0.00 56.93 56.09 1n6f s PHE 491 Cb -0.14 -1.25 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 1n6f s PHE 491 CO 0.05 0.54 0.55 0.00 0.70 0.00 0.00 175.22 177.06 1n6f s ALA 492 N -1.82 3.48 0.09 5.36 0.00 -1.26 -0.79 121.76 126.81 1n6f s ALA 492 Ca 0.26 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1n6f s ALA 492 Cb -0.08 -3.05 -0.24 0.00 0.00 0.00 0.00 23.12 19.74 1n6f s ALA 492 CO 0.15 -1.23 1.17 0.00 0.00 0.00 0.00 175.76 175.85 1n6f h ALA 493 N 8.44 0.28 -2.44 0.00 0.00 -1.43 -3.33 119.26 120.77 1n6f h ALA 493 Ca -0.27 -0.94 -0.21 0.00 0.00 0.00 0.00 54.91 53.48 1n6f h ALA 493 Cb 1.12 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1n6f h ALA 493 CO 0.79 1.16 -0.64 0.95 0.00 0.00 0.00 179.25 181.51 1n6f s THR 494 N -2.68 0.14 0.95 0.00 -4.23 -1.22 -3.48 115.64 105.12 1n6f s THR 494 Ca -0.02 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 1n6f s THR 494 Cb 0.09 -2.16 0.17 0.00 1.34 0.00 0.00 72.50 71.93 1n6f s THR 494 CO 0.84 -0.36 1.22 0.42 -0.54 0.00 0.00 174.62 176.20 1n6f s THR 495 N -4.03 1.95 -0.64 3.99 -4.23 -1.26 -4.58 115.64 106.84 1n6f s THR 495 Ca 0.28 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1n6f s THR 495 Cb 0.07 -2.87 0.38 0.00 1.34 0.00 0.00 72.50 71.42 1n6f s THR 495 CO 0.04 0.00 1.54 -1.84 -0.54 0.00 0.00 174.62 173.82 1n6f n GLU 496 N -3.80 3.16 0.00 3.99 0.28 -1.26 -4.62 120.64 118.39 1n6f n GLU 496 Ca 0.11 -4.07 0.05 0.00 -0.16 0.00 0.00 57.16 53.09 1n6f n GLU 496 Cb 0.60 -2.26 -0.00 0.00 1.43 0.00 0.00 31.44 31.20 1n6f n GLU 496 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1n6f n ASN 497 N -0.49 1.21 0.00 -1.84 4.13 -1.26 -4.87 115.26 112.13 1n6f n ASN 497 Ca 0.46 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 55.62 1n6f n ASN 497 Cb 0.45 0.50 0.00 0.00 -1.54 0.00 0.00 39.78 39.19 1n6f n ASN 497 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n6f n SER 498 N -0.30 1.88 -3.89 6.41 3.41 -1.26 -5.03 113.62 114.85 1n6f n SER 498 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.36 1n6f n SER 498 Cb 0.22 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.01 1n6f n SER 498 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1n6f s HIS 499 N 1.37 2.10 -0.10 7.33 2.46 -1.26 -0.70 115.29 126.48 1n6f s HIS 499 Ca 0.00 -1.58 0.00 0.00 0.47 0.00 0.00 55.06 53.95 1n6f s HIS 499 Cb 0.00 -1.49 -0.02 0.00 -0.13 0.00 0.00 32.58 30.94 1n6f s HIS 499 CO 0.00 -0.75 -0.11 -0.51 -2.47 0.00 0.00 174.74 170.91 1n6f s ASP 500 N 1.49 4.25 0.16 9.88 -0.00 -0.86 -2.02 116.67 129.57 1n6f s ASP 500 Ca -0.04 -0.21 -0.04 0.00 -0.00 0.00 0.00 52.55 52.26 1n6f s ASP 500 Cb -0.18 -1.38 0.02 0.00 -0.00 0.00 0.00 42.92 41.37 1n6f s ASP 500 CO -0.07 0.24 0.28 0.00 -0.00 0.00 0.00 175.17 175.62 1n6f n TYR 501 N 3.01 -1.26 -3.88 4.23 0.18 -0.04 -4.55 117.16 114.85 1n6f n TYR 501 Ca -0.18 -0.92 -0.26 0.00 1.88 0.00 0.00 57.90 58.42 1n6f n TYR 501 Cb 0.53 0.33 0.01 0.00 -0.38 0.00 0.00 39.34 39.82 1n6f n TYR 501 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1n6f n ALA 502 N -1.96 -1.75 -1.75 -3.48 0.00 -1.26 -0.65 120.51 109.66 1n6f n ALA 502 Ca -0.07 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 1n6f n ALA 502 Cb 0.26 -2.60 0.04 0.00 0.00 0.00 0.00 19.45 17.15 1n6f n ALA 502 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n6f s PRO 503 N -6.40 2.93 -0.23 0.00 0.04 -1.26 -4.22 135.00 125.85 1n6f s PRO 503 Ca 0.24 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 1n6f s PRO 503 Cb -0.13 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.51 1n6f s PRO 503 CO 0.85 -1.27 0.59 0.00 0.04 0.00 0.00 177.00 177.22 1n6f s ALA 504 N -1.50 -1.53 0.23 8.56 0.00 0.92 -4.68 121.76 123.75 1n6f s ALA 504 Ca 0.77 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.64 1n6f s ALA 504 Cb -0.33 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1n6f s ALA 504 CO 0.37 -0.31 0.41 -0.06 0.00 0.00 0.00 175.76 176.17 1n6f s PHE 505 N 0.96 3.48 0.46 0.00 0.40 -1.26 0.29 117.98 122.31 1n6f s PHE 505 Ca -0.05 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.56 1n6f s PHE 505 Cb -0.05 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1n6f s PHE 505 CO -0.09 0.35 0.71 0.16 0.70 0.00 0.00 175.22 177.05 1n6f s ASP 506 N -3.38 6.06 0.21 1.36 3.84 -1.11 -4.78 116.67 118.87 1n6f s ASP 506 Ca 0.38 0.61 -0.18 0.00 -0.00 0.00 0.00 52.55 53.35 1n6f s ASP 506 Cb -0.11 -1.92 0.19 0.00 -1.38 0.00 0.00 42.92 39.70 1n6f s ASP 506 CO 0.30 -0.61 1.58 0.00 -0.00 0.00 0.00 175.17 176.44 1n6f h ALA 507 N 0.34 0.10 0.00 2.11 0.00 -1.94 0.29 119.26 120.16 1n6f h ALA 507 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n6f h ALA 507 Cb 1.23 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1n6f h ALA 507 CO 0.60 -0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1n6f n ASP 508 N -5.46 0.23 -2.81 0.00 10.43 -1.26 -4.67 116.55 113.01 1n6f n ASP 508 Ca 0.07 0.57 -0.17 0.00 2.57 0.00 0.00 54.79 57.83 1n6f n ASP 508 Cb 0.38 -0.61 0.06 0.00 1.84 0.00 0.00 41.12 42.79 1n6f n ASP 508 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1n6f n SER 509 N -1.76 -4.65 -0.00 -2.24 7.64 0.10 -4.93 113.62 107.77 1n6f n SER 509 Ca 0.02 -0.41 0.05 0.00 1.01 0.00 0.00 58.87 59.54 1n6f n SER 509 Cb 0.15 -3.89 -0.07 0.00 -1.01 0.00 0.00 64.21 59.38 1n6f n SER 509 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n6f n LYS 510 N -3.76 1.79 -4.00 1.43 5.02 -1.26 -4.93 118.16 112.46 1n6f n LYS 510 Ca -0.04 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.10 1n6f n LYS 510 Cb 0.56 -1.12 -0.11 0.00 -0.02 0.00 0.00 35.03 34.34 1n6f n LYS 510 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1n6f s ASN 511 N -2.62 0.38 -0.29 4.39 -0.87 -1.26 -0.11 114.94 114.56 1n6f s ASN 511 Ca -0.01 -0.45 -0.01 0.00 -1.57 0.00 0.00 52.86 50.82 1n6f s ASN 511 Cb 0.07 0.07 0.05 0.00 -0.02 0.00 0.00 41.25 41.41 1n6f s ASN 511 CO 0.40 -0.24 -0.02 -0.22 -2.57 0.00 0.00 177.10 174.45 1n6f s LEU 512 N -1.31 3.72 0.29 0.60 2.96 0.42 -2.73 118.68 122.62 1n6f s LEU 512 Ca -0.13 -1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 52.56 1n6f s LEU 512 Cb -0.09 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1n6f s LEU 512 CO -0.01 -0.23 0.50 -0.31 -1.32 0.00 0.00 176.35 174.99 1n6f s TYR 513 N 1.25 3.49 0.18 5.38 1.51 0.15 -1.30 117.35 128.01 1n6f s TYR 513 Ca -0.05 0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 56.19 1n6f s TYR 513 Cb -0.19 -1.92 0.07 0.00 -0.11 0.00 0.00 41.96 39.81 1n6f s TYR 513 CO -0.02 0.21 1.02 1.52 -1.11 0.00 0.00 175.55 177.17 1n6f s TYR 514 N -2.13 0.04 0.33 2.71 -0.85 -0.41 -0.06 117.35 116.99 1n6f s TYR 514 Ca 0.40 -0.42 0.09 0.00 -0.52 0.00 0.00 57.07 56.62 1n6f s TYR 514 Cb -0.10 0.69 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 1n6f s TYR 514 CO 0.32 -0.92 -0.08 -0.51 -1.52 0.00 0.00 175.55 172.85 1n6f s LEU 515 N -3.30 2.68 -0.12 -3.49 1.43 0.18 -0.76 118.68 115.30 1n6f s LEU 515 Ca 0.20 -1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 1n6f s LEU 515 Cb -0.02 -0.90 0.10 0.00 0.03 0.00 0.00 46.19 45.40 1n6f s LEU 515 CO 0.05 -0.26 0.87 -0.94 0.23 0.00 0.00 176.35 176.30 1n6f s SER 516 N -3.58 -0.48 -1.16 2.29 1.04 -0.98 -0.87 113.70 109.96 1n6f s SER 516 Ca 0.32 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 57.25 1n6f s SER 516 Cb 0.03 0.40 0.20 0.00 0.10 0.00 0.00 66.02 66.76 1n6f s SER 516 CO 0.16 -0.45 2.17 -1.22 0.98 0.00 0.00 173.24 174.88 1n6f n TYR 517 N 0.81 2.64 0.12 5.02 4.01 -0.86 -1.46 117.16 127.44 1n6f n TYR 517 Ca -0.14 -2.67 0.07 0.00 -0.16 0.00 0.00 57.90 55.00 1n6f n TYR 517 Cb 0.58 -1.54 -0.11 0.00 -0.31 0.00 0.00 39.34 37.95 1n6f n TYR 517 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1n6f n ARG 518 N 0.91 0.80 -1.92 -0.72 1.74 -1.15 -4.68 116.66 111.64 1n6f n ARG 518 Ca 0.56 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 57.11 1n6f n ARG 518 Cb 0.26 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1n6f n ARG 518 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n6f n SER 519 N -1.88 3.91 -4.72 0.55 7.64 -0.82 -4.93 113.62 113.37 1n6f n SER 519 Ca -0.02 -2.83 -0.42 0.00 1.01 0.00 0.00 58.87 56.62 1n6f n SER 519 Cb 0.35 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 61.91 1n6f n SER 519 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n6f s LEU 520 N 3.39 4.37 -0.30 -3.43 1.43 -1.26 -4.27 118.68 118.61 1n6f s LEU 520 Ca 0.52 2.65 -0.10 0.00 -1.03 0.00 0.00 54.13 56.17 1n6f s LEU 520 Cb 0.10 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.88 1n6f s LEU 520 CO 0.01 -0.84 0.77 -0.62 0.23 0.00 0.00 176.35 175.90 1n6f s ASP 521 N 1.15 -0.97 0.40 2.29 3.68 -1.26 -5.08 116.67 116.87 1n6f s ASP 521 Ca 0.71 1.16 -0.24 0.00 2.13 0.00 0.00 52.55 56.30 1n6f s ASP 521 Cb -0.44 2.04 -0.09 0.00 -1.45 0.00 0.00 42.92 42.98 1n6f s ASP 521 CO 0.31 -0.19 1.09 -2.16 0.13 0.00 0.00 175.17 174.36 1n6f s PRO 522 N 2.76 4.10 -0.09 4.34 0.04 -1.26 -4.46 135.00 140.44 1n6f s PRO 522 Ca -0.00 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1n6f s PRO 522 Cb -0.11 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 1n6f s PRO 522 CO -0.18 -0.22 -0.16 -1.12 0.04 0.00 0.00 177.00 175.36 1n6f s SER 523 N -1.42 3.84 0.31 6.66 0.01 0.18 -4.90 113.70 118.37 1n6f s SER 523 Ca 0.58 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 57.24 1n6f s SER 523 Cb -0.25 -1.20 -0.10 0.00 0.21 0.00 0.00 66.02 64.68 1n6f s SER 523 CO 0.31 0.25 1.19 -2.16 0.41 0.00 0.00 173.24 173.23 1n6f s PRO 524 N -0.14 4.50 -0.03 12.44 0.04 -1.26 -2.15 135.00 148.40 1n6f s PRO 524 Ca -0.02 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.73 1n6f s PRO 524 Cb -0.14 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1n6f s PRO 524 CO 0.04 0.03 0.81 0.34 0.04 0.00 0.00 177.00 178.26 1n6f s ASP 525 N -0.73 7.15 0.00 6.66 3.68 -0.58 -4.96 116.67 127.89 1n6f s ASP 525 Ca 0.47 1.39 0.26 0.00 2.13 0.00 0.00 52.55 56.80 1n6f s ASP 525 Cb -0.35 -2.48 1.17 0.00 -1.45 0.00 0.00 42.92 39.81 1n6f s ASP 525 CO 0.46 -0.17 1.85 0.54 0.13 0.00 0.00 175.17 177.98 1n6f n ARG 526 N 3.78 0.09 -0.02 4.34 5.12 -1.26 -4.33 116.66 124.38 1n6f n ARG 526 Ca 0.02 0.05 -0.04 0.00 -1.93 0.00 0.00 57.85 55.94 1n6f n ARG 526 Cb 0.51 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.30 1n6f n ARG 526 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n6f n VAL 527 N -1.45 0.27 -4.04 1.55 0.31 -1.26 -5.06 118.33 108.65 1n6f n VAL 527 Ca 0.08 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 1n6f n VAL 527 Cb 0.28 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.59 1n6f n VAL 527 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1n6f s VAL 528 N -2.08 4.76 -0.48 2.52 1.01 -1.26 -5.02 120.40 119.85 1n6f s VAL 528 Ca -0.06 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 1n6f s VAL 528 Cb 0.02 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1n6f s VAL 528 CO 0.07 0.22 2.13 -0.22 0.00 0.00 0.00 175.10 177.30 1n6f s LEU 529 N -2.15 3.39 0.01 3.92 2.96 -1.26 -4.48 118.68 121.06 1n6f s LEU 529 Ca 0.28 0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 54.87 1n6f s LEU 529 Cb -0.12 -2.77 0.10 0.00 0.50 0.00 0.00 46.19 43.89 1n6f s LEU 529 CO 0.20 -2.45 0.95 0.21 -1.32 0.00 0.00 176.35 173.93 1n6f s ASN 530 N 9.59 -0.29 0.03 3.68 3.04 -1.26 -4.99 114.94 124.74 1n6f s ASN 530 Ca 0.86 -0.10 -0.07 0.00 0.04 0.00 0.00 52.86 53.60 1n6f s ASN 530 Cb -0.18 0.38 -0.00 0.00 -1.54 0.00 0.00 41.25 39.90 1n6f s ASN 530 CO 0.26 -0.64 0.12 -0.36 -3.04 0.00 0.00 177.10 173.45 1n6f s PHE 531 N -3.07 0.13 0.18 0.43 0.40 -1.26 -1.52 117.98 113.27 1n6f s PHE 531 Ca 0.07 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 1n6f s PHE 531 Cb -0.01 -0.09 -0.01 0.00 0.51 0.00 0.00 43.02 43.42 1n6f s PHE 531 CO -0.06 -0.35 0.32 -1.54 0.70 0.00 0.00 175.22 174.30 1n6f s SER 532 N -1.87 0.00 -0.74 1.36 1.04 -0.91 -4.90 113.70 107.68 1n6f s SER 532 Ca -0.08 -0.87 -0.20 0.00 0.48 0.00 0.00 55.95 55.27 1n6f s SER 532 Cb -0.03 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.65 1n6f s SER 532 CO -0.02 -0.94 0.96 -0.36 0.98 0.00 0.00 173.24 173.86 1n6f s PHE 533 N -3.98 2.90 -0.20 5.02 0.40 -1.26 -0.65 117.98 120.21 1n6f s PHE 533 Ca 0.18 -0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 55.41 1n6f s PHE 533 Cb 0.03 -4.23 -0.14 0.00 0.51 0.00 0.00 43.02 39.19 1n6f s PHE 533 CO 0.02 -1.52 0.01 0.39 0.70 0.00 0.00 175.22 174.82 1n6f n GLU 534 N 7.01 0.54 -3.51 0.44 -0.58 -1.26 -4.71 120.64 118.56 1n6f n GLU 534 Ca 0.04 0.50 -0.31 0.00 -0.42 0.00 0.00 57.16 56.98 1n6f n GLU 534 Cb 0.46 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.58 1n6f n GLU 534 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1n6f n VAL 535 N -4.44 2.67 -0.97 2.62 0.24 -1.26 -4.63 118.33 112.56 1n6f n VAL 535 Ca -0.30 -5.22 0.09 0.00 -2.04 0.00 0.00 64.34 56.88 1n6f n VAL 535 Cb 0.62 -2.16 0.13 0.00 -1.47 0.00 0.00 33.84 30.96 1n6f n VAL 535 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1n6f n VAL 536 N 1.37 1.83 -3.51 3.34 0.24 -0.98 -3.60 118.33 117.02 1n6f n VAL 536 Ca 0.26 -2.14 -0.37 0.00 -2.04 0.00 0.00 64.34 60.06 1n6f n VAL 536 Cb 0.38 -0.17 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 1n6f n VAL 536 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1n6f s SER 537 N -2.66 6.50 -0.06 -1.34 0.15 -0.05 -1.95 113.70 114.29 1n6f s SER 537 Ca 0.30 0.59 -0.09 0.00 0.70 0.00 0.00 55.95 57.45 1n6f s SER 537 Cb 0.26 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1n6f s SER 537 CO 0.03 0.11 0.23 -0.75 1.20 0.00 0.00 173.24 174.06 1n6f s LYS 538 N 0.33 0.38 0.42 5.44 2.20 -0.53 -2.07 119.74 125.91 1n6f s LYS 538 Ca 0.19 0.11 -0.22 0.00 -0.36 0.00 0.00 55.97 55.69 1n6f s LYS 538 Cb -0.14 0.17 -0.10 0.00 -1.51 0.00 0.00 37.83 36.26 1n6f s LYS 538 CO 0.06 -0.07 0.97 -1.25 -0.36 0.00 0.00 175.35 174.69 1n6f s PRO 539 N -0.40 4.20 0.07 4.03 0.04 -1.26 -2.32 135.00 139.36 1n6f s PRO 539 Ca -0.05 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1n6f s PRO 539 Cb -0.03 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1n6f s PRO 539 CO 0.01 -0.06 -0.01 -0.06 0.04 0.00 0.00 177.00 176.92 1n6f s PHE 540 N -2.05 0.60 0.04 0.56 0.40 0.07 -2.14 117.98 115.46 1n6f s PHE 540 Ca 0.61 -1.10 -0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1n6f s PHE 540 Cb -0.12 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 1n6f s PHE 540 CO 0.16 -0.42 -0.03 0.54 0.70 0.00 0.00 175.22 176.17 1n6f s VAL 541 N -3.95 0.24 -0.10 -0.44 0.11 0.46 -1.28 120.40 115.44 1n6f s VAL 541 Ca 0.11 -1.53 -0.03 0.00 -2.93 0.00 0.00 61.98 57.60 1n6f s VAL 541 Cb 0.08 -1.13 0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1n6f s VAL 541 CO -0.07 -0.82 0.08 -0.63 -3.33 0.00 0.00 175.10 170.33 1n6f s ILE 542 N -3.09 -0.11 -0.01 7.04 1.01 -0.42 -1.56 121.20 124.07 1n6f s ILE 542 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1n6f s ILE 542 Cb 0.02 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1n6f s ILE 542 CO -0.07 -0.04 1.19 -2.16 0.00 0.00 0.00 174.94 173.87 1n6f s PRO 543 N 2.16 4.39 0.24 2.79 0.04 -1.26 -0.43 135.00 142.93 1n6f s PRO 543 Ca 0.04 1.70 0.23 0.00 0.04 0.00 0.00 61.00 63.01 1n6f s PRO 543 Cb -0.14 -3.48 0.95 0.00 0.04 0.00 0.00 34.50 31.87 1n6f s PRO 543 CO -0.06 -0.36 1.70 1.28 0.04 0.00 0.00 177.00 179.60 1n6f n LEU 544 N 4.68 0.64 -4.23 -3.56 4.77 0.84 -4.40 117.00 115.74 1n6f n LEU 544 Ca 0.10 0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 56.37 1n6f n LEU 544 Cb 0.46 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1n6f n LEU 544 CO 0.55 -0.51 -0.33 -0.63 -1.33 0.00 0.00 177.39 175.14 1n6f s ILE 545 N -3.28 3.32 0.28 -0.08 1.09 -1.26 -2.20 121.20 119.06 1n6f s ILE 545 Ca 0.05 -1.12 -0.29 0.00 -1.10 0.00 0.00 60.65 58.19 1n6f s ILE 545 Cb 0.10 -2.81 -0.14 0.00 -1.06 0.00 0.00 42.46 38.54 1n6f s ILE 545 CO 0.40 -0.02 1.14 -2.65 -0.10 0.00 0.00 174.94 173.72 1n6f n PRO 546 N 4.72 1.58 0.00 2.79 -0.02 -1.26 -1.52 135.00 141.29 1n6f n PRO 546 Ca -0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1n6f n PRO 546 Cb 0.45 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1n6f n PRO 546 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n6f n GLY 547 N 1.36 3.13 3.72 -1.23 0.00 -1.26 -4.80 105.19 106.12 1n6f n GLY 547 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1n6f n GLY 547 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n6f s SER 548 N -1.14 7.35 0.74 1.61 0.15 -0.58 -4.78 113.70 117.05 1n6f s SER 548 Ca 0.00 1.62 -0.07 0.00 0.70 0.00 0.00 55.95 58.20 1n6f s SER 548 Cb 0.00 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 1n6f s SER 548 CO 0.00 -0.12 1.05 -2.16 1.20 0.00 0.00 173.24 173.21 1n6f s PRO 549 N 0.40 1.96 -0.22 5.44 0.04 -1.26 -4.76 135.00 136.58 1n6f s PRO 549 Ca 0.46 -0.36 -0.29 0.00 0.04 0.00 0.00 61.00 60.85 1n6f s PRO 549 Cb -0.21 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1n6f s PRO 549 CO 0.27 -1.40 1.78 1.21 0.04 0.00 0.00 177.00 178.89 1n6f s ASN 550 N -4.58 6.13 0.18 6.66 3.84 -1.26 -4.90 114.94 121.01 1n6f s ASN 550 Ca 0.62 1.67 -0.14 0.00 0.21 0.00 0.00 52.86 55.22 1n6f s ASN 550 Cb -0.09 -2.53 0.16 0.00 -0.55 0.00 0.00 41.25 38.24 1n6f s ASN 550 CO 0.46 -1.45 1.69 1.55 -2.79 0.00 0.00 177.10 176.55 1n6f h PRO 551 N 11.86 0.11 0.00 0.43 0.13 -1.99 -0.24 132.00 142.30 1n6f h PRO 551 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1n6f h PRO 551 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1n6f h PRO 551 CO 1.00 0.07 0.25 1.79 -0.23 0.00 0.00 178.00 180.88 1n6f h THR 552 N 0.11 0.00 0.00 1.56 1.35 -1.95 0.48 112.91 114.47 1n6f h THR 552 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1n6f h THR 552 Cb 0.34 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1n6f h THR 552 CO -0.39 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 174.99 1n6f h LYS 553 N 0.00 0.00 -5.34 4.72 1.57 -1.41 -3.47 116.57 112.63 1n6f h LYS 553 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1n6f h LYS 553 Cb 0.49 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.93 1n6f h LYS 553 CO 0.00 0.00 -0.61 1.28 -0.57 0.00 0.00 179.45 179.55 1n6f n LEU 554 N -2.62 -3.29 -4.63 2.94 4.77 0.16 -4.94 117.00 109.39 1n6f n LEU 554 Ca 0.02 -0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 1n6f n LEU 554 Cb 0.27 -2.78 -0.02 0.00 -2.33 0.00 0.00 43.42 38.56 1n6f n LEU 554 CO 0.24 0.58 1.06 -0.69 -1.33 0.00 0.00 177.39 177.25 1n6f s VAL 555 N -3.29 4.28 -0.12 4.08 1.01 -1.26 -4.94 120.40 120.17 1n6f s VAL 555 Ca 0.51 1.45 -0.38 0.00 0.00 0.00 0.00 61.98 63.55 1n6f s VAL 555 Cb -0.22 -4.29 -0.18 0.00 0.00 0.00 0.00 36.38 31.68 1n6f s VAL 555 CO 0.65 -0.53 1.11 -2.65 0.00 0.00 0.00 175.10 173.68 1n6f n PRO 556 N 7.20 0.00 -0.30 2.72 -0.02 -1.26 -4.83 135.00 138.50 1n6f n PRO 556 Ca 0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1n6f n PRO 556 Cb 0.47 -1.37 0.12 0.00 -0.02 0.00 0.00 33.50 32.69 1n6f n PRO 556 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1n6f h ARG 557 N 3.22 0.98 0.00 -0.52 9.65 -1.93 -1.00 114.38 124.78 1n6f h ARG 557 Ca -0.45 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1n6f h ARG 557 Cb 1.29 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1n6f h ARG 557 CO 0.67 0.65 0.00 0.66 2.80 0.00 0.00 179.97 184.75 1n6f h SER 558 N 1.01 0.00 -0.71 -3.80 4.64 -2.03 -1.59 113.55 111.06 1n6f h SER 558 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1n6f h SER 558 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1n6f h SER 558 CO -0.14 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.05 1n6f n MET 559 N -2.69 2.97 -4.28 4.77 2.81 -0.39 -4.95 117.12 115.37 1n6f n MET 559 Ca -0.01 -2.72 -0.15 0.00 -1.81 0.00 0.00 57.70 53.01 1n6f n MET 559 Cb 0.12 -1.64 -0.10 0.00 -0.71 0.00 0.00 33.22 30.89 1n6f n MET 559 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1n6f s THR 560 N -1.19 1.25 -0.55 2.03 -4.23 -0.60 -4.97 115.64 107.38 1n6f s THR 560 Ca 0.49 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1n6f s THR 560 Cb 0.27 -1.95 0.20 0.00 1.34 0.00 0.00 72.50 72.36 1n6f s THR 560 CO 0.31 -0.66 0.50 -1.54 -0.54 0.00 0.00 174.62 172.69 1n6f n SER 561 N -0.26 1.62 0.00 3.99 3.41 -1.26 -4.97 113.62 116.15 1n6f n SER 561 Ca -0.09 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 1n6f n SER 561 Cb 0.61 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1n6f n SER 561 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n6f n GLU 562 N 1.90 0.00 -0.59 4.33 4.71 -1.26 -4.69 120.64 125.04 1n6f n GLU 562 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1n6f n GLU 562 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 1n6f n GLU 562 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1n6f n ALA 563 N -3.00 0.00 -0.93 0.62 0.00 -1.26 -4.93 120.51 111.01 1n6f n ALA 563 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1n6f n ALA 563 Cb 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.40 1n6f n ALA 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 564 N -1.24 -3.65 3.47 0.00 0.00 -1.26 -5.05 105.19 97.46 1n6f n GLY 564 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 1n6f n GLY 564 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n6f s GLU 565 N -3.10 1.66 0.37 1.61 2.12 -1.26 -5.05 118.70 115.05 1n6f s GLU 565 Ca 0.06 -1.77 -0.25 0.00 0.36 0.00 0.00 54.97 53.36 1n6f s GLU 565 Cb -0.01 -1.70 -0.12 0.00 0.26 0.00 0.00 34.13 32.56 1n6f s GLU 565 CO 0.05 0.30 0.96 0.66 -0.54 0.00 0.00 175.26 176.68 1n6f n TYR 566 N -0.62 1.02 -3.15 5.30 0.53 -1.26 -4.42 117.16 114.56 1n6f n TYR 566 Ca -0.05 0.62 0.04 0.00 -1.02 0.00 0.00 57.90 57.49 1n6f n TYR 566 Cb 0.60 -2.21 -0.00 0.00 -1.03 0.00 0.00 39.34 36.70 1n6f n TYR 566 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1n6f s ASP 567 N -0.70 -1.23 0.00 7.72 -1.08 -0.94 -4.98 116.67 115.47 1n6f s ASP 567 Ca 0.61 0.28 0.21 0.00 -0.52 0.00 0.00 52.55 53.14 1n6f s ASP 567 Cb -0.61 1.84 0.82 0.00 -1.46 0.00 0.00 42.92 43.50 1n6f s ASP 567 CO 0.58 -0.23 1.58 0.18 0.52 0.00 0.00 175.17 177.81 1n6f n LEU 568 N 5.36 1.48 -4.77 -1.34 4.77 -1.26 -4.56 117.00 116.68 1n6f n LEU 568 Ca 0.04 -0.61 -0.39 0.00 -0.03 0.00 0.00 56.01 55.02 1n6f n LEU 568 Cb 0.54 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1n6f n LEU 568 CO -0.07 0.30 0.85 0.20 -1.33 0.00 0.00 177.39 177.34 1n6f s ASN 569 N -1.61 6.70 -1.59 -1.43 -0.87 -1.26 -3.43 114.94 111.45 1n6f s ASN 569 Ca 0.32 2.38 -0.05 0.00 -1.57 0.00 0.00 52.86 53.94 1n6f s ASN 569 Cb 0.17 -2.62 0.05 0.00 -0.02 0.00 0.00 41.25 38.83 1n6f s ASN 569 CO 0.26 -0.55 0.21 0.47 -2.57 0.00 0.00 177.10 174.93 1n6f n ASP 570 N 0.38 0.04 0.14 -1.22 8.00 -1.26 -4.81 116.55 117.83 1n6f n ASP 570 Ca 0.03 -1.22 0.06 0.00 0.71 0.00 0.00 54.79 54.37 1n6f n ASP 570 Cb 0.45 -1.89 0.05 0.00 -0.02 0.00 0.00 41.12 39.72 1n6f n ASP 570 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n6f h MET 571 N -1.62 0.00 0.00 -1.24 -0.00 -1.76 -3.17 114.93 107.14 1n6f h MET 571 Ca -0.64 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.06 1n6f h MET 571 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.99 1n6f h MET 571 CO 0.73 0.29 0.00 2.48 -0.00 0.00 0.00 176.91 180.41 1n6f n TYR 572 N -3.09 0.76 0.12 -0.10 4.11 -1.23 -1.23 117.16 116.50 1n6f n TYR 572 Ca 0.01 0.34 0.02 0.00 -0.00 0.00 0.00 57.90 58.28 1n6f n TYR 572 Cb 0.67 -1.05 0.00 0.00 -0.00 0.00 0.00 39.34 38.96 1n6f n TYR 572 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1n6f h LYS 573 N 0.00 0.00 -0.01 -3.48 1.57 -1.86 -3.25 116.57 109.54 1n6f h LYS 573 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n6f h LYS 573 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1n6f h LYS 573 CO 0.00 0.44 -0.16 0.54 -0.57 0.00 0.00 179.45 179.69 1n6f n ARG 574 N -3.14 0.89 -1.48 3.15 1.74 -0.36 -4.94 116.66 112.51 1n6f n ARG 574 Ca -0.00 -0.44 -0.39 0.00 -0.77 0.00 0.00 57.85 56.24 1n6f n ARG 574 Cb 0.75 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.73 1n6f n ARG 574 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n6f n SER 575 N -0.67 -0.70 -3.73 0.55 3.41 -1.17 -4.73 113.62 106.59 1n6f n SER 575 Ca 0.14 0.81 -0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1n6f n SER 575 Cb 0.32 -1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 62.98 1n6f n SER 575 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n6f s SER 576 N -1.08 -0.42 0.54 4.04 0.15 -0.60 -4.99 113.70 111.34 1n6f s SER 576 Ca 0.67 0.77 -0.13 0.00 0.70 0.00 0.00 55.95 57.96 1n6f s SER 576 Cb -0.49 0.80 -0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1n6f s SER 576 CO 0.55 -0.18 0.97 -2.16 1.20 0.00 0.00 173.24 173.62 1n6f s PRO 577 N 0.06 3.78 -0.21 5.44 0.04 -1.26 -0.40 135.00 142.44 1n6f s PRO 577 Ca -0.01 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 1n6f s PRO 577 Cb -0.03 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1n6f s PRO 577 CO 0.01 -0.35 0.02 0.96 0.04 0.00 0.00 177.00 177.68 1n6f s ILE 578 N -2.81 4.11 0.00 0.56 -5.25 -0.91 -4.84 121.20 112.06 1n6f s ILE 578 Ca 0.56 -0.25 -0.11 0.00 -0.99 0.00 0.00 60.65 59.86 1n6f s ILE 578 Cb -0.10 -2.88 -0.14 0.00 2.95 0.00 0.00 42.46 42.29 1n6f s ILE 578 CO 0.40 0.40 0.95 -3.20 -1.79 0.00 0.00 174.94 171.71 1n6f n ASN 579 N 4.40 0.16 -4.10 4.36 2.85 -1.26 -4.66 115.26 117.01 1n6f n ASN 579 Ca -0.17 -1.64 -0.27 0.00 -0.11 0.00 0.00 54.58 52.39 1n6f n ASN 579 Cb 0.52 -0.32 -0.17 0.00 1.24 0.00 0.00 39.78 41.05 1n6f n ASN 579 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1n6f s VAL 580 N 4.68 1.46 0.41 3.44 1.01 -1.26 -5.08 120.40 125.06 1n6f s VAL 580 Ca 0.25 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1n6f s VAL 580 Cb 0.05 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 1n6f s VAL 580 CO 0.13 0.43 0.97 0.47 0.00 0.00 0.00 175.10 177.09 1n6f n ASP 581 N 3.65 1.08 -4.17 3.32 10.43 -1.26 -4.83 116.55 124.77 1n6f n ASP 581 Ca -0.21 1.03 -0.29 0.00 2.57 0.00 0.00 54.79 57.89 1n6f n ASP 581 Cb 0.52 -1.33 0.27 0.00 1.84 0.00 0.00 41.12 42.43 1n6f n ASP 581 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1n6f n PRO 582 N 0.21 -3.18 0.00 -0.24 -0.02 -1.26 -4.94 135.00 125.56 1n6f n PRO 582 Ca 0.10 -0.91 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 1n6f n PRO 582 Cb 0.39 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1n6f n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n6f n GLY 583 N 1.31 -0.68 2.45 -1.23 0.00 -0.88 -4.90 105.19 101.26 1n6f n GLY 583 Ca 0.05 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1n6f n GLY 583 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n6f s ASP 584 N -4.00 2.25 -0.08 1.61 2.15 -1.26 -0.87 116.67 116.47 1n6f s ASP 584 Ca 0.00 -2.73 -0.14 0.00 0.43 0.00 0.00 52.55 50.10 1n6f s ASP 584 Cb 0.00 -0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.08 1n6f s ASP 584 CO 0.00 -0.23 0.37 -0.31 -0.17 0.00 0.00 175.17 174.83 1n6f s TYR 585 N 0.41 3.59 -0.29 -5.34 4.12 -1.26 -0.60 117.35 117.98 1n6f s TYR 585 Ca 0.26 0.81 0.11 0.00 0.02 0.00 0.00 57.07 58.27 1n6f s TYR 585 Cb -0.08 -2.33 -0.14 0.00 -1.52 0.00 0.00 41.96 37.89 1n6f s TYR 585 CO -0.11 0.43 0.36 0.54 0.02 0.00 0.00 175.55 176.80 1n6f n ARG 586 N 2.74 2.18 -3.66 -0.62 5.12 -0.00 -4.97 116.66 117.44 1n6f n ARG 586 Ca -0.12 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.61 1n6f n ARG 586 Cb 0.52 -1.11 -0.08 0.00 -1.16 0.00 0.00 32.46 30.63 1n6f n ARG 586 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1n6f s MET 587 N -2.32 0.73 -0.10 5.56 1.75 -1.25 -4.80 119.30 118.89 1n6f s MET 587 Ca 0.01 0.60 -0.00 0.00 -1.25 0.00 0.00 55.69 55.05 1n6f s MET 587 Cb 0.08 0.35 0.02 0.00 2.84 0.00 0.00 34.83 38.12 1n6f s MET 587 CO 0.44 -0.13 -0.07 -1.50 -0.65 0.00 0.00 175.02 173.11 1n6f s ILE 588 N -0.12 0.94 -0.30 10.11 -1.16 -1.26 -1.38 121.20 128.03 1n6f s ILE 588 Ca -0.03 -0.26 0.03 0.00 -0.51 0.00 0.00 60.65 59.88 1n6f s ILE 588 Cb -0.03 -0.96 0.08 0.00 0.61 0.00 0.00 42.46 42.16 1n6f s ILE 588 CO 0.03 0.35 -0.02 -0.63 -2.81 0.00 0.00 174.94 171.85 1n6f s ILE 589 N 1.52 2.18 0.05 2.00 1.01 0.11 -4.75 121.20 123.33 1n6f s ILE 589 Ca 0.01 -1.98 -0.31 0.00 0.00 0.00 0.00 60.65 58.38 1n6f s ILE 589 Cb -0.13 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1n6f s ILE 589 CO -0.05 -0.33 1.18 -2.16 0.00 0.00 0.00 174.94 173.58 1n6f s PRO 590 N 1.02 4.44 0.39 2.79 0.04 -1.26 -0.49 135.00 141.93 1n6f s PRO 590 Ca 0.01 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.81 1n6f s PRO 590 Cb -0.19 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 1n6f s PRO 590 CO -0.07 -0.25 0.05 1.28 0.04 0.00 0.00 177.00 178.05 1n6f n LEU 591 N 3.98 0.00 0.14 -3.56 4.77 0.14 -4.71 117.00 117.77 1n6f n LEU 591 Ca 0.09 -2.68 -0.16 0.00 -0.03 0.00 0.00 56.01 53.23 1n6f n LEU 591 Cb 0.47 0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 42.01 1n6f n LEU 591 CO 0.55 -0.39 0.54 -0.08 -1.33 0.00 0.00 177.39 176.68 1n6f h GLU 592 N 0.00 -0.74 0.00 3.23 4.81 -2.02 -3.33 114.58 116.54 1n6f h GLU 592 Ca -0.32 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1n6f h GLU 592 Cb 1.06 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1n6f h GLU 592 CO 0.52 -0.49 -0.29 -1.13 -0.73 0.00 0.00 179.01 176.89 1n6f n SER 593 N -5.49 1.33 -3.85 1.04 3.41 -1.26 -5.04 113.62 103.74 1n6f n SER 593 Ca -0.09 -2.67 -0.09 0.00 -0.26 0.00 0.00 58.87 55.76 1n6f n SER 593 Cb 0.41 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1n6f n SER 593 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1n6f s SER 594 N -2.14 -0.18 -0.04 4.04 1.04 -1.25 -1.31 113.70 113.86 1n6f s SER 594 Ca 0.20 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1n6f s SER 594 Cb 0.19 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.90 1n6f s SER 594 CO -0.00 -1.11 -0.15 -0.63 0.98 0.00 0.00 173.24 172.33 1n6f s ILE 595 N -3.93 1.26 -0.13 -1.02 -1.09 0.11 -0.68 121.20 115.71 1n6f s ILE 595 Ca 0.14 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 57.85 1n6f s ILE 595 Cb -0.01 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.74 1n6f s ILE 595 CO 0.02 0.37 0.18 -0.76 -1.23 0.00 0.00 174.94 173.52 1n6f s LEU 596 N 0.09 4.35 -0.04 2.97 1.43 0.35 -0.15 118.68 127.67 1n6f s LEU 596 Ca -0.04 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1n6f s LEU 596 Cb -0.11 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1n6f s LEU 596 CO 0.02 0.32 -0.03 -0.63 0.23 0.00 0.00 176.35 176.26 1n6f s ILE 597 N -0.60 0.42 -0.32 -0.59 1.01 0.16 0.09 121.20 121.37 1n6f s ILE 597 Ca 0.14 -0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 1n6f s ILE 597 Cb -0.12 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1n6f s ILE 597 CO 0.04 0.21 0.57 -0.47 0.00 0.00 0.00 174.94 175.28 1n6f s TYR 598 N 1.04 3.20 0.03 3.97 5.04 -0.48 0.66 117.35 130.82 1n6f s TYR 598 Ca -0.09 0.41 0.05 0.00 -2.44 0.00 0.00 57.07 55.00 1n6f s TYR 598 Cb -0.14 -2.95 -0.03 0.00 0.35 0.00 0.00 41.96 39.18 1n6f s TYR 598 CO -0.01 -0.49 -0.12 0.45 -1.34 0.00 0.00 175.55 174.04 1n6f s SER 599 N 1.70 4.25 -0.22 4.32 0.15 -0.13 -0.82 113.70 122.94 1n6f s SER 599 Ca 0.22 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.58 1n6f s SER 599 Cb -0.15 -0.85 0.05 0.00 -1.71 0.00 0.00 66.02 63.36 1n6f s SER 599 CO 0.12 0.26 -0.08 -0.69 1.20 0.00 0.00 173.24 174.05 1n6f s VAL 600 N -1.00 1.66 0.52 4.45 1.01 0.23 -0.80 120.40 126.47 1n6f s VAL 600 Ca 0.17 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1n6f s VAL 600 Cb -0.11 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1n6f s VAL 600 CO 0.08 0.04 1.30 -2.84 0.00 0.00 0.00 175.10 173.68 1n6f s PRO 601 N 1.36 3.34 0.25 2.72 0.02 -1.26 -4.42 135.00 137.01 1n6f s PRO 601 Ca -0.04 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 1n6f s PRO 601 Cb -0.18 -2.31 -0.12 0.00 0.02 0.00 0.00 34.50 31.91 1n6f s PRO 601 CO -0.07 -0.99 1.67 0.08 -0.33 0.00 0.00 177.00 177.36 1n6f s VAL 602 N -1.37 2.02 0.24 3.83 1.01 -1.26 -4.98 120.40 119.89 1n6f s VAL 602 Ca 0.69 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 1n6f s VAL 602 Cb -0.37 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1n6f s VAL 602 CO 0.44 0.00 0.33 -1.38 0.00 0.00 0.00 175.10 174.50 1n6f s HIS 603 N 0.61 0.81 0.62 5.22 -3.43 -1.26 -5.16 115.29 112.71 1n6f s HIS 603 Ca 0.69 -1.09 -0.11 0.00 -0.80 0.00 0.00 55.06 53.75 1n6f s HIS 603 Cb -0.49 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 30.45 1n6f s HIS 603 CO 0.40 -0.87 1.03 0.20 -2.00 0.00 0.00 174.74 173.50 1n6f s GLY 604 N -3.11 1.70 0.00 -1.38 0.00 -1.26 -4.99 107.32 98.28 1n6f s GLY 604 Ca 0.31 -0.04 0.17 0.00 0.00 0.00 0.00 44.72 45.15 1n6f s GLY 604 CO 0.12 0.24 0.99 1.18 0.00 0.00 0.00 173.10 175.63 1n6f n GLU 605 N -2.69 1.43 0.09 2.90 -0.58 -1.26 -4.71 120.64 115.83 1n6f n GLU 605 Ca 0.06 -1.32 -0.14 0.00 -0.42 0.00 0.00 57.16 55.34 1n6f n GLU 605 Cb 0.54 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 30.03 1n6f n GLU 605 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1n6f h PHE 606 N 2.91 -1.12 -0.65 -0.32 3.04 -1.96 0.11 116.94 118.96 1n6f h PHE 606 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1n6f h PHE 606 Cb 0.66 0.48 -0.03 0.00 2.56 0.00 0.00 35.95 39.62 1n6f h PHE 606 CO 0.00 -0.49 0.38 0.00 -2.02 0.00 0.00 178.31 176.18 1n6f h ALA 607 N -0.07 1.45 -0.27 2.41 0.00 -1.95 -2.03 119.26 118.80 1n6f h ALA 607 Ca 0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1n6f h ALA 607 Cb 0.65 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1n6f h ALA 607 CO -0.26 0.47 -0.45 0.00 0.00 0.00 0.00 179.25 179.01 1n6f h ALA 608 N 1.53 0.70 -0.08 0.00 0.00 -1.63 0.24 119.26 120.02 1n6f h ALA 608 Ca 0.23 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1n6f h ALA 608 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1n6f h ALA 608 CO -0.04 0.67 -0.67 -0.92 0.00 0.00 0.00 179.25 178.28 1n6f h TYR 609 N 0.56 0.45 0.00 0.00 3.20 -0.55 -3.08 116.97 117.55 1n6f h TYR 609 Ca 0.04 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1n6f h TYR 609 Cb 1.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1n6f h TYR 609 CO 0.05 0.91 0.00 0.66 -1.64 0.00 0.00 178.16 178.14 1n6f n TYR 610 N -3.85 0.00 0.18 -3.82 4.02 -0.80 -4.66 117.16 108.23 1n6f n TYR 610 Ca -0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.98 1n6f n TYR 610 Cb 0.67 0.00 0.64 0.00 -0.02 0.00 0.00 39.34 40.62 1n6f n TYR 610 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1n6f h GLN 611 N 0.00 0.00 -0.00 -0.72 4.20 -1.42 -3.45 115.11 113.71 1n6f h GLN 611 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n6f h GLN 611 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n6f h GLN 611 CO 0.00 0.00 -0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1n6f n GLY 612 N -1.26 0.39 3.58 3.46 0.00 0.74 -4.95 105.19 107.15 1n6f n GLY 612 Ca -0.01 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 1n6f n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f n ALA 613 N 1.00 -0.51 -1.64 4.61 0.00 -0.90 -4.85 120.51 118.22 1n6f n ALA 613 Ca -0.00 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 1n6f n ALA 613 Cb 0.12 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.57 1n6f n ALA 613 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n6f s PRO 614 N -1.02 3.20 -0.00 0.00 0.04 -1.26 -4.18 135.00 131.78 1n6f s PRO 614 Ca 0.65 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1n6f s PRO 614 Cb -0.77 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1n6f s PRO 614 CO 0.56 -0.92 1.04 -2.00 0.04 0.00 0.00 177.00 175.72 1n6f s GLU 615 N -3.94 4.51 -0.21 4.56 2.12 -1.26 -5.00 118.70 119.48 1n6f s GLU 615 Ca 0.66 1.50 -0.24 0.00 0.36 0.00 0.00 54.97 57.25 1n6f s GLU 615 Cb -0.18 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1n6f s GLU 615 CO 0.36 -0.14 0.77 0.15 -0.54 0.00 0.00 175.26 175.86 1n6f s LYS 616 N 1.18 4.23 0.27 4.30 1.02 -1.26 -4.33 119.74 125.15 1n6f s LYS 616 Ca 0.53 0.87 0.00 0.00 0.02 0.00 0.00 55.97 57.40 1n6f s LYS 616 Cb -0.23 -3.60 -0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1n6f s LYS 616 CO 0.27 -0.38 0.02 0.41 -0.92 0.00 0.00 175.35 174.75 1n6f n GLY 617 N 3.69 3.81 3.40 -3.33 0.00 0.11 -4.13 105.19 108.73 1n6f n GLY 617 Ca 0.03 -2.24 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 1n6f n GLY 617 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s VAL 618 N -2.08 0.02 -0.41 1.61 0.11 0.02 -2.21 120.40 117.46 1n6f s VAL 618 Ca 0.02 -0.16 -0.19 0.00 -2.93 0.00 0.00 61.98 58.72 1n6f s VAL 618 Cb 0.00 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 1n6f s VAL 618 CO 0.02 -0.09 0.54 -0.22 -3.33 0.00 0.00 175.10 172.01 1n6f s LEU 619 N -0.78 4.61 0.10 2.54 2.96 0.15 -0.96 118.68 127.30 1n6f s LEU 619 Ca -0.08 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1n6f s LEU 619 Cb -0.03 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1n6f s LEU 619 CO 0.05 -0.64 0.28 -0.76 -1.32 0.00 0.00 176.35 173.96 1n6f s LEU 620 N 2.47 4.32 -0.09 -0.68 1.43 0.21 -0.40 118.68 125.95 1n6f s LEU 620 Ca 0.18 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1n6f s LEU 620 Cb -0.15 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1n6f s LEU 620 CO 0.16 0.11 -0.21 -0.75 0.23 0.00 0.00 176.35 175.89 1n6f s LYS 621 N -2.67 2.65 -0.22 1.70 2.20 -0.35 0.40 119.74 123.46 1n6f s LYS 621 Ca 0.37 -0.76 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1n6f s LYS 621 Cb -0.12 -2.05 0.02 0.00 -1.51 0.00 0.00 37.83 34.16 1n6f s LYS 621 CO 0.27 0.16 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.84 1n6f s TYR 622 N 0.36 2.94 -0.29 4.03 6.14 0.79 -1.50 117.35 129.82 1n6f s TYR 622 Ca -0.16 -1.51 -0.26 0.00 0.64 0.00 0.00 57.07 55.78 1n6f s TYR 622 Cb -0.17 -2.01 0.01 0.00 0.42 0.00 0.00 41.96 40.21 1n6f s TYR 622 CO 0.07 -0.73 0.93 0.34 0.64 0.00 0.00 175.55 176.80 1n6f s ASP 623 N 1.33 6.84 0.27 4.32 -1.08 -0.81 0.07 116.67 127.61 1n6f s ASP 623 Ca 0.03 0.95 -0.02 0.00 -0.52 0.00 0.00 52.55 52.99 1n6f s ASP 623 Cb -0.15 -2.48 0.41 0.00 -1.46 0.00 0.00 42.92 39.25 1n6f s ASP 623 CO -0.08 -0.70 1.90 -0.37 0.52 0.00 0.00 175.17 176.45 1n6f h VAL 624 N 5.60 1.12 0.49 1.11 -1.51 -1.54 0.43 116.25 121.95 1n6f h VAL 624 Ca -0.22 -0.40 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1n6f h VAL 624 Cb 1.08 -0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1n6f h VAL 624 CO 0.95 0.21 -0.24 0.11 -1.23 0.00 0.00 177.57 177.37 1n6f h LYS 625 N 1.18 -0.64 0.00 5.19 1.79 -1.92 -3.32 116.57 118.85 1n6f h LYS 625 Ca 0.41 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1n6f h LYS 625 Cb 0.11 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1n6f h LYS 625 CO -0.15 -0.43 0.00 1.79 -1.08 0.00 0.00 179.45 179.58 1n6f h THR 626 N -1.03 0.00 -0.50 -0.16 1.35 -1.93 -3.46 112.91 107.19 1n6f h THR 626 Ca -0.07 -0.59 -0.21 0.00 -0.55 0.00 0.00 66.41 64.99 1n6f h THR 626 Cb 0.51 1.54 -0.08 0.00 -1.73 0.00 0.00 68.15 68.39 1n6f h THR 626 CO 0.11 0.00 -0.19 0.54 -0.25 0.00 0.00 175.52 175.73 1n6f n ARG 627 N -2.67 -1.73 -3.23 4.72 1.74 0.15 -4.95 116.66 110.69 1n6f n ARG 627 Ca 0.03 0.85 -0.34 0.00 -0.77 0.00 0.00 57.85 57.62 1n6f n ARG 627 Cb 0.40 -5.27 -0.06 0.00 -1.02 0.00 0.00 32.46 26.51 1n6f n ARG 627 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1n6f s LYS 628 N -2.84 4.03 -0.06 5.56 2.20 -1.25 -4.82 119.74 122.57 1n6f s LYS 628 Ca 0.00 0.61 0.03 0.00 -0.36 0.00 0.00 55.97 56.25 1n6f s LYS 628 Cb 0.00 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1n6f s LYS 628 CO 0.00 0.32 -0.13 0.08 -0.36 0.00 0.00 175.35 175.26 1n6f s VAL 629 N -1.71 3.14 0.20 4.02 1.01 -1.26 -1.92 120.40 123.87 1n6f s VAL 629 Ca 0.46 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1n6f s VAL 629 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1n6f s VAL 629 CO 0.19 0.59 0.17 0.42 0.00 0.00 0.00 175.10 176.47 1n6f s THR 630 N -0.69 0.01 -0.30 3.92 -4.23 -0.56 -4.98 115.64 108.81 1n6f s THR 630 Ca 0.10 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1n6f s THR 630 Cb -0.11 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1n6f s THR 630 CO 0.01 -0.05 0.17 -0.70 -0.54 0.00 0.00 174.62 173.51 1n6f s GLU 631 N -4.13 3.60 -0.01 3.99 2.12 -1.26 -1.21 118.70 121.80 1n6f s GLU 631 Ca 0.35 -0.55 0.10 0.00 0.36 0.00 0.00 54.97 55.23 1n6f s GLU 631 Cb 0.06 -3.62 -0.23 0.00 0.26 0.00 0.00 34.13 30.60 1n6f s GLU 631 CO 0.10 -0.32 0.80 0.28 -0.54 0.00 0.00 175.26 175.58 1n6f h VAL 632 N 5.51 1.05 -1.62 3.70 2.07 -1.06 -3.48 116.25 122.42 1n6f h VAL 632 Ca -0.34 -2.85 0.06 0.00 0.82 0.00 0.00 66.70 64.39 1n6f h VAL 632 Cb 1.17 2.54 -0.25 0.00 -1.52 0.00 0.00 31.29 33.22 1n6f h VAL 632 CO 0.60 0.63 0.45 -0.75 0.02 0.00 0.00 177.57 178.52 1n6f s LYS 633 N -2.62 0.54 0.18 1.57 2.47 -1.16 -4.98 119.74 115.74 1n6f s LYS 633 Ca -0.04 0.53 0.01 0.00 -1.56 0.00 0.00 55.97 54.91 1n6f s LYS 633 Cb 0.08 0.26 -0.00 0.00 -1.46 0.00 0.00 37.83 36.71 1n6f s LYS 633 CO 0.82 -0.09 0.03 0.27 0.16 0.00 0.00 175.35 176.55 1n6f n ASN 634 N 1.97 1.80 -3.20 1.43 0.23 -1.26 -0.68 115.26 115.55 1n6f n ASN 634 Ca -0.12 -1.86 -0.23 0.00 -0.53 0.00 0.00 54.58 51.84 1n6f n ASN 634 Cb 0.56 0.27 0.04 0.00 -2.08 0.00 0.00 39.78 38.58 1n6f n ASN 634 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n6f n ASN 635 N -1.49 -6.08 -4.88 0.53 5.03 -1.21 -4.95 115.26 102.22 1n6f n ASN 635 Ca -0.05 -0.37 -0.33 0.00 0.87 0.00 0.00 54.58 54.70 1n6f n ASN 635 Cb 0.25 -4.88 -0.05 0.00 -1.02 0.00 0.00 39.78 34.07 1n6f n ASN 635 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n6f s LEU 636 N -6.86 4.31 0.00 3.41 1.43 -0.94 -1.13 118.68 118.90 1n6f s LEU 636 Ca 0.39 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1n6f s LEU 636 Cb -0.17 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1n6f s LEU 636 CO 0.48 0.12 0.29 0.35 0.23 0.00 0.00 176.35 177.82 1n6f n THR 637 N 0.59 0.00 -3.62 5.49 -2.24 0.17 0.07 114.28 114.73 1n6f n THR 637 Ca -0.06 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1n6f n THR 637 Cb 0.52 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 70.08 1n6f n THR 637 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6f s ASP 638 N -0.03 -0.14 -0.03 3.42 3.68 -1.13 -4.78 116.67 117.66 1n6f s ASP 638 Ca 0.00 0.17 -0.12 0.00 2.13 0.00 0.00 52.55 54.73 1n6f s ASP 638 Cb 0.00 0.13 0.02 0.00 -1.45 0.00 0.00 42.92 41.62 1n6f s ASP 638 CO 0.00 -0.12 0.26 -0.22 0.13 0.00 0.00 175.17 175.21 1n6f s LEU 639 N -0.95 1.06 -0.02 -1.34 0.20 -1.26 -0.91 118.68 115.46 1n6f s LEU 639 Ca 0.06 0.12 -0.03 0.00 0.69 0.00 0.00 54.13 54.97 1n6f s LEU 639 Cb -0.01 1.03 0.00 0.00 -0.43 0.00 0.00 46.19 46.79 1n6f s LEU 639 CO -0.06 -0.34 0.06 -0.13 -0.29 0.00 0.00 176.35 175.59 1n6f s ARG 640 N -0.99 0.15 -0.00 1.98 1.81 0.67 -5.00 118.95 117.56 1n6f s ARG 640 Ca -0.11 -0.04 0.06 0.00 -1.72 0.00 0.00 55.73 53.92 1n6f s ARG 640 Cb -0.05 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1n6f s ARG 640 CO 0.03 -0.02 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.27 1n6f s LEU 641 N -0.28 2.56 0.00 2.53 2.96 -1.26 -1.65 118.68 123.54 1n6f s LEU 641 Ca -0.03 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.32 1n6f s LEU 641 Cb -0.02 -1.50 0.32 0.00 0.50 0.00 0.00 46.19 45.49 1n6f s LEU 641 CO 0.00 0.30 1.00 -1.54 -1.32 0.00 0.00 176.35 174.80 1n6f n SER 642 N 1.99 -2.71 -0.02 3.68 3.41 -0.44 -4.93 113.62 114.59 1n6f n SER 642 Ca -0.16 -1.07 -0.13 0.00 -0.26 0.00 0.00 58.87 57.25 1n6f n SER 642 Cb 0.52 -0.98 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 1n6f n SER 642 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n6f h ALA 643 N -3.00 -0.02 0.00 7.33 0.00 -1.90 -3.13 119.26 118.54 1n6f h ALA 643 Ca -0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1n6f h ALA 643 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1n6f h ALA 643 CO 0.25 -0.22 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 1n6f n ASP 644 N -4.83 0.00 -0.64 0.00 3.85 -1.26 -4.83 116.55 108.85 1n6f n ASP 644 Ca -0.09 -1.19 -0.07 0.00 -0.71 0.00 0.00 54.79 52.73 1n6f n ASP 644 Cb 0.29 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.03 1n6f n ASP 644 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n6f n ARG 645 N -0.52 -1.71 -0.10 0.11 1.74 -1.19 -4.76 116.66 110.23 1n6f n ARG 645 Ca 0.01 0.62 -0.10 0.00 -0.77 0.00 0.00 57.85 57.61 1n6f n ARG 645 Cb 0.00 -4.74 -0.15 0.00 -1.02 0.00 0.00 32.46 26.55 1n6f n ARG 645 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n6f n LYS 646 N -0.47 0.81 -3.89 5.56 5.02 -1.26 -4.76 118.16 119.17 1n6f n LYS 646 Ca -0.07 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 1n6f n LYS 646 Cb 0.44 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 1n6f n LYS 646 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1n6f s THR 647 N -2.47 5.28 -0.09 -0.18 2.01 -1.26 0.48 115.64 119.40 1n6f s THR 647 Ca -0.10 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1n6f s THR 647 Cb 0.06 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 1n6f s THR 647 CO 0.79 0.54 -0.24 -0.69 -0.69 0.00 0.00 174.62 174.33 1n6f s VAL 648 N -0.39 2.05 -0.14 3.82 1.01 -0.30 -1.33 120.40 125.13 1n6f s VAL 648 Ca 0.11 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1n6f s VAL 648 Cb -0.12 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1n6f s VAL 648 CO 0.01 0.56 -0.20 -0.32 0.00 0.00 0.00 175.10 175.16 1n6f s MET 649 N 0.23 2.79 0.27 2.72 1.75 -0.66 -0.80 119.30 125.61 1n6f s MET 649 Ca -0.16 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 1n6f s MET 649 Cb -0.17 -2.31 -0.05 0.00 2.84 0.00 0.00 34.83 35.14 1n6f s MET 649 CO 0.08 -0.06 0.10 0.14 -0.65 0.00 0.00 175.02 174.62 1n6f s VAL 650 N 0.95 0.63 -0.08 10.11 -7.23 0.50 -0.24 120.40 125.04 1n6f s VAL 650 Ca -0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1n6f s VAL 650 Cb -0.15 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1n6f s VAL 650 CO -0.04 0.00 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.00 1n6f s ARG 651 N -3.99 2.10 0.51 4.82 6.06 -0.09 -0.29 118.95 128.08 1n6f s ARG 651 Ca 0.37 -0.55 0.09 0.00 -2.50 0.00 0.00 55.73 53.14 1n6f s ARG 651 Cb 0.08 -1.70 0.05 0.00 0.06 0.00 0.00 34.95 33.44 1n6f s ARG 651 CO 0.14 0.05 0.67 0.15 -2.50 0.00 0.00 175.30 173.81 1n6f s LYS 652 N 0.64 2.49 0.56 5.12 1.02 -0.85 0.44 119.74 129.15 1n6f s LYS 652 Ca -0.14 -1.53 0.30 0.00 0.02 0.00 0.00 55.97 54.62 1n6f s LYS 652 Cb -0.16 -2.63 1.65 0.00 -0.52 0.00 0.00 37.83 36.17 1n6f s LYS 652 CO 0.04 -0.61 2.15 0.38 -0.92 0.00 0.00 175.35 176.39 1n6f h ASP 653 N 0.42 0.00 0.24 2.83 2.03 -1.43 -0.27 116.42 120.25 1n6f h ASP 653 Ca -0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1n6f h ASP 653 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1n6f h ASP 653 CO 0.44 0.07 0.00 -0.90 -1.03 0.00 0.00 179.24 177.82 1n6f n ASP 654 N -3.60 0.00 0.00 4.15 5.68 -1.26 -4.86 116.55 116.65 1n6f n ASP 654 Ca -0.02 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 1n6f n ASP 654 Cb 0.18 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1n6f n ASP 654 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n6f n GLY 655 N 0.50 1.62 3.87 6.12 0.00 -0.11 -5.05 105.19 112.14 1n6f n GLY 655 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1n6f n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 656 N -0.39 3.77 -0.14 1.61 1.02 -1.26 -4.82 119.74 119.54 1n6f s LYS 656 Ca 0.00 0.60 -0.07 0.00 0.02 0.00 0.00 55.97 56.52 1n6f s LYS 656 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1n6f s LYS 656 CO 0.00 -0.19 0.11 0.42 -0.92 0.00 0.00 175.35 174.78 1n6f s ILE 657 N -2.59 5.28 0.20 2.17 1.09 -1.26 -2.02 121.20 124.07 1n6f s ILE 657 Ca 0.53 0.13 0.05 0.00 -1.10 0.00 0.00 60.65 60.26 1n6f s ILE 657 Cb -0.10 -3.32 -0.05 0.00 -1.06 0.00 0.00 42.46 37.93 1n6f s ILE 657 CO 0.36 0.57 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.39 1n6f s TYR 658 N -0.62 1.53 -0.07 3.97 1.51 0.61 -0.75 117.35 123.52 1n6f s TYR 658 Ca 0.12 -0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1n6f s TYR 658 Cb -0.12 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1n6f s TYR 658 CO 0.02 0.12 0.15 -0.08 -1.11 0.00 0.00 175.55 174.65 1n6f s THR 659 N -3.26 -0.13 0.00 -0.71 -1.32 -0.42 -0.37 115.64 109.44 1n6f s THR 659 Ca 0.23 0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 60.95 1n6f s THR 659 Cb 0.03 -0.26 -0.01 0.00 -1.51 0.00 0.00 72.50 70.76 1n6f s THR 659 CO 0.06 0.10 0.03 0.72 -2.21 0.00 0.00 174.62 173.32 1n6f s PHE 660 N 1.62 0.08 0.28 9.09 -0.71 0.02 -0.94 117.98 127.42 1n6f s PHE 660 Ca -0.04 -0.17 -0.29 0.00 -1.04 0.00 0.00 56.93 55.38 1n6f s PHE 660 Cb -0.12 -0.07 -0.10 0.00 -1.21 0.00 0.00 43.02 41.52 1n6f s PHE 660 CO -0.06 -0.12 1.28 -2.14 -1.34 0.00 0.00 175.22 172.83 1n6f s PRO 661 N -0.75 4.41 0.45 1.99 0.02 -1.26 -1.14 135.00 138.72 1n6f s PRO 661 Ca -0.08 2.10 0.13 0.00 0.02 0.00 0.00 61.00 63.17 1n6f s PRO 661 Cb -0.05 -3.13 1.05 0.00 0.02 0.00 0.00 34.50 32.39 1n6f s PRO 661 CO -0.00 -0.15 2.04 1.25 -0.33 0.00 0.00 177.00 179.81 1n6f h LEU 662 N 4.11 0.30 -0.16 -5.54 5.85 -0.27 -2.31 115.31 117.29 1n6f h LEU 662 Ca -0.47 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 1n6f h LEU 662 Cb 1.22 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1n6f h LEU 662 CO 0.70 0.20 -0.08 1.05 -0.34 0.00 0.00 178.44 179.96 1n6f h GLU 663 N 0.34 0.34 -2.52 1.25 4.11 -1.91 -3.37 114.58 112.82 1n6f h GLU 663 Ca 0.18 -0.15 -0.60 0.00 0.07 0.00 0.00 59.36 58.86 1n6f h GLU 663 Cb 0.28 -0.01 -0.41 0.00 0.50 0.00 0.00 28.75 29.11 1n6f h GLU 663 CO -0.04 0.66 -0.69 1.63 0.07 0.00 0.00 179.01 180.64 1n6f n LYS 664 N -4.62 1.80 0.00 1.06 4.76 -0.92 -4.92 118.16 115.32 1n6f n LYS 664 Ca -0.06 -4.27 0.00 0.00 -2.87 0.00 0.00 58.31 51.12 1n6f n LYS 664 Cb 0.31 -2.08 0.02 0.00 -1.84 0.00 0.00 35.03 31.44 1n6f n LYS 664 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1n6f n PRO 665 N 1.55 0.02 0.17 1.97 -0.04 -0.92 -1.28 135.00 136.46 1n6f n PRO 665 Ca 0.25 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 1n6f n PRO 665 Cb 0.41 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.55 1n6f n PRO 665 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1n6f h GLU 666 N 0.00 0.00 -2.79 0.54 4.81 -1.91 -3.37 114.58 111.85 1n6f h GLU 666 Ca 0.00 0.00 -0.81 0.00 -0.13 0.00 0.00 59.36 58.42 1n6f h GLU 666 Cb 0.00 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.11 1n6f h GLU 666 CO 0.00 0.43 0.92 -0.25 -0.73 0.00 0.00 179.01 179.38 1n6f n ASP 667 N -3.34 6.61 -4.89 1.04 8.00 -0.40 -5.02 116.55 118.54 1n6f n ASP 667 Ca 0.01 -3.46 -0.31 0.00 0.71 0.00 0.00 54.79 51.74 1n6f n ASP 667 Cb 0.62 -1.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.42 1n6f n ASP 667 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1n6f s GLU 668 N -2.97 3.68 0.15 -1.24 -1.05 -1.26 -4.39 118.70 111.62 1n6f s GLU 668 Ca 0.33 0.03 0.09 0.00 -0.15 0.00 0.00 54.97 55.28 1n6f s GLU 668 Cb 0.08 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.96 1n6f s GLU 668 CO 0.05 0.40 -0.20 1.03 0.95 0.00 0.00 175.26 177.49 1n6f s ARG 669 N -2.77 1.26 -0.08 -4.83 0.52 -0.12 -4.94 118.95 108.00 1n6f s ARG 669 Ca 0.43 -1.35 -0.20 0.00 -0.52 0.00 0.00 55.73 54.10 1n6f s ARG 669 Cb -0.12 -1.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 1n6f s ARG 669 CO 0.24 0.31 0.57 0.99 0.02 0.00 0.00 175.30 177.42 1n6f s THR 670 N -1.69 5.09 -0.21 0.02 2.01 -1.26 -1.30 115.64 118.30 1n6f s THR 670 Ca 0.13 1.16 -0.26 0.00 0.31 0.00 0.00 61.69 63.03 1n6f s THR 670 Cb -0.07 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1n6f s THR 670 CO 0.06 0.33 0.87 -0.69 -0.69 0.00 0.00 174.62 174.50 1n6f s VAL 671 N 0.49 4.82 -0.11 3.82 1.01 0.07 -4.67 120.40 125.83 1n6f s VAL 671 Ca 0.30 1.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 1n6f s VAL 671 Cb -0.17 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1n6f s VAL 671 CO 0.14 -0.05 -0.04 -1.61 0.00 0.00 0.00 175.10 173.54 1n6f s GLU 672 N 2.61 3.23 0.00 2.72 0.41 -0.32 -4.61 118.70 122.73 1n6f s GLU 672 Ca 0.38 -0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 1n6f s GLU 672 Cb -0.16 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 1n6f s GLU 672 CO 0.09 0.49 0.00 0.25 -0.49 0.00 0.00 175.26 175.60 1n6f n THR 673 N 2.79 0.00 0.62 3.63 -2.24 -1.26 -2.94 114.28 114.88 1n6f n THR 673 Ca -0.18 -0.21 0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1n6f n THR 673 Cb 0.53 0.94 0.13 0.00 -2.10 0.00 0.00 70.33 69.83 1n6f n THR 673 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1n6f n ASP 674 N -0.47 2.23 -0.02 3.42 8.00 -1.26 -3.93 116.55 124.52 1n6f n ASP 674 Ca 0.00 -2.21 -0.16 0.00 0.71 0.00 0.00 54.79 53.13 1n6f n ASP 674 Cb 0.00 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 1n6f n ASP 674 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1n6f h LYS 675 N 1.46 0.28 -5.07 -1.24 1.79 -1.87 -3.43 116.57 108.48 1n6f h LYS 675 Ca 0.00 -0.28 -0.62 0.00 -2.18 0.00 0.00 60.65 57.57 1n6f h LYS 675 Cb 0.79 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.36 1n6f h LYS 675 CO 0.11 0.97 -0.47 0.50 -1.08 0.00 0.00 179.45 179.49 1n6f s ARG 676 N -3.26 4.05 0.77 3.15 3.52 -1.25 -5.08 118.95 120.85 1n6f s ARG 676 Ca -0.15 -0.22 -0.14 0.00 -0.13 0.00 0.00 55.73 55.10 1n6f s ARG 676 Cb 0.02 -3.58 0.06 0.00 -1.56 0.00 0.00 34.95 29.90 1n6f s ARG 676 CO 0.77 -0.03 1.18 -2.14 -0.81 0.00 0.00 175.30 174.28 1n6f s PRO 677 N 1.31 1.90 -0.21 5.12 0.02 -1.26 -4.69 135.00 137.19 1n6f s PRO 677 Ca 0.09 1.67 -0.16 0.00 0.02 0.00 0.00 61.00 62.61 1n6f s PRO 677 Cb -0.14 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1n6f s PRO 677 CO 0.07 -2.00 0.41 -1.17 -0.33 0.00 0.00 177.00 173.98 1n6f s LEU 678 N -5.53 4.13 -0.16 -5.54 2.96 0.58 -4.91 118.68 110.21 1n6f s LEU 678 Ca 0.72 0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 55.09 1n6f s LEU 678 Cb -0.27 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 1n6f s LEU 678 CO 0.49 -0.11 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.66 1n6f s VAL 679 N 1.48 3.60 0.24 1.68 1.01 -1.26 -0.36 120.40 126.79 1n6f s VAL 679 Ca 0.19 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1n6f s VAL 679 Cb -0.15 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 1n6f s VAL 679 CO 0.08 0.49 0.47 -0.94 0.00 0.00 0.00 175.10 175.20 1n6f s SER 680 N 0.55 -0.10 -0.19 3.32 1.04 -0.63 -5.00 113.70 112.69 1n6f s SER 680 Ca -0.04 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1n6f s SER 680 Cb -0.15 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1n6f s SER 680 CO 0.03 -1.12 -0.04 -0.55 0.98 0.00 0.00 173.24 172.53 1n6f s SER 681 N -3.01 4.49 0.12 7.02 0.15 -1.26 0.23 113.70 121.44 1n6f s SER 681 Ca 0.21 -0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.30 1n6f s SER 681 Cb -0.01 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 1n6f s SER 681 CO 0.08 0.06 1.62 0.40 1.20 0.00 0.00 173.24 176.59 1n6f h ILE 682 N 5.49 0.32 -0.58 6.45 2.04 -1.68 -1.22 117.51 128.34 1n6f h ILE 682 Ca -0.36 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1n6f h ILE 682 Cb 1.18 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1n6f h ILE 682 CO 0.60 0.00 0.18 1.12 0.00 0.00 0.00 178.15 180.05 1n6f h HIS 683 N -0.46 0.90 -0.21 1.37 2.07 -1.91 0.12 115.15 117.04 1n6f h HIS 683 Ca 0.06 -0.07 -0.13 0.00 -2.85 0.00 0.00 60.37 57.38 1n6f h HIS 683 Cb 0.54 -0.27 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 1n6f h HIS 683 CO -0.33 0.73 -0.41 1.05 -3.07 0.00 0.00 177.93 175.90 1n6f h GLU 684 N 0.86 0.49 -0.20 5.12 4.11 -1.91 -1.59 114.58 121.46 1n6f h GLU 684 Ca 0.19 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 1n6f h GLU 684 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1n6f h GLU 684 CO -0.01 0.81 -0.08 0.93 0.07 0.00 0.00 179.01 180.74 1n6f h GLU 685 N 0.40 0.40 -0.48 1.06 5.08 -0.74 -1.75 114.58 118.55 1n6f h GLU 685 Ca 0.03 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1n6f h GLU 685 Cb 0.89 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1n6f h GLU 685 CO 0.08 0.68 0.20 0.74 -1.00 0.00 0.00 179.01 179.71 1n6f h PHE 686 N 0.10 0.36 -0.71 4.33 -1.00 -0.64 0.89 116.94 120.27 1n6f h PHE 686 Ca 0.05 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1n6f h PHE 686 Cb 0.56 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1n6f h PHE 686 CO 0.06 0.15 0.27 -0.07 -1.61 0.00 0.00 178.31 177.11 1n6f h LEU 687 N 0.40 0.98 0.13 1.54 3.38 -1.24 0.14 115.31 120.64 1n6f h LEU 687 Ca 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1n6f h LEU 687 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1n6f h LEU 687 CO -0.20 0.88 -0.06 -0.61 0.09 0.00 0.00 178.44 178.53 1n6f h GLN 688 N 1.04 -0.17 -0.98 1.13 -0.00 -0.14 -2.03 115.11 113.95 1n6f h GLN 688 Ca 0.24 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.91 1n6f h GLN 688 Cb 0.21 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.68 1n6f h GLN 688 CO -0.02 0.05 0.65 0.52 0.00 0.00 0.00 178.83 180.04 1n6f h MET 689 N -0.38 1.29 0.42 1.69 2.86 0.10 -2.13 114.93 118.78 1n6f h MET 689 Ca -0.02 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1n6f h MET 689 Cb 0.31 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1n6f h MET 689 CO 0.03 0.85 -0.20 -0.92 1.06 0.00 0.00 176.91 177.73 1n6f h TYR 690 N 1.33 -0.52 -0.97 -0.22 3.20 -0.63 -1.04 116.97 118.13 1n6f h TYR 690 Ca 0.36 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.38 1n6f h TYR 690 Cb -0.15 0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.20 1n6f h TYR 690 CO -0.00 -0.29 0.61 -0.44 -1.64 0.00 0.00 178.16 176.40 1n6f h ASP 691 N -0.63 0.75 -0.10 -2.11 3.45 -1.14 0.59 116.42 117.23 1n6f h ASP 691 Ca -0.06 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 1n6f h ASP 691 Cb 0.47 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.16 1n6f h ASP 691 CO 0.09 0.33 -0.09 -0.08 -1.57 0.00 0.00 179.24 177.92 1n6f h GLU 692 N 0.76 0.23 -0.61 3.56 4.81 -1.14 0.11 114.58 122.31 1n6f h GLU 692 Ca 0.52 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.70 1n6f h GLU 692 Cb 0.80 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1n6f h GLU 692 CO -0.29 0.65 0.28 0.00 -0.73 0.00 0.00 179.01 178.92 1n6f h ALA 693 N 0.58 0.80 -0.48 2.92 0.00 -0.36 0.24 119.26 122.96 1n6f h ALA 693 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1n6f h ALA 693 Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1n6f h ALA 693 CO 0.02 -0.10 0.13 2.35 0.00 0.00 0.00 179.25 181.66 1n6f h TRP 694 N 0.52 0.79 -0.34 0.00 7.01 -0.86 -1.96 115.95 121.11 1n6f h TRP 694 Ca 0.29 -0.09 -0.10 0.00 2.11 0.00 0.00 58.89 61.10 1n6f h TRP 694 Cb 0.28 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1n6f h TRP 694 CO -0.12 0.71 -0.21 -0.22 -2.79 0.00 0.00 178.44 175.80 1n6f h LYS 695 N 0.64 0.65 -0.31 2.65 3.64 0.57 -2.79 116.57 121.62 1n6f h LYS 695 Ca 0.15 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1n6f h LYS 695 Cb 0.30 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1n6f h LYS 695 CO -0.00 0.82 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.84 1n6f h LEU 696 N 0.58 0.61 -1.38 5.20 3.38 -0.47 0.02 115.31 123.24 1n6f h LEU 696 Ca 0.09 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.76 1n6f h LEU 696 Cb 0.68 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1n6f h LEU 696 CO 0.05 0.84 0.49 0.00 0.09 0.00 0.00 178.44 179.91 1n6f h ALA 697 N 0.79 1.74 0.17 1.53 0.00 -1.25 0.28 119.26 122.52 1n6f h ALA 697 Ca 0.08 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1n6f h ALA 697 Cb 0.58 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1n6f h ALA 697 CO 0.03 0.13 -1.15 -0.09 0.00 0.00 0.00 179.25 178.17 1n6f h ARG 698 N 0.73 0.37 0.00 0.00 2.43 -1.32 -2.91 114.38 113.67 1n6f h ARG 698 Ca 0.33 -0.63 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 1n6f h ARG 698 Cb 0.34 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1n6f h ARG 698 CO -0.11 1.30 -0.09 -0.44 -1.51 0.00 0.00 179.97 179.12 1n6f h ASP 699 N -0.19 0.00 -0.01 -3.80 3.45 -0.47 -3.27 116.42 112.13 1n6f h ASP 699 Ca -0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1n6f h ASP 699 Cb 1.84 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.61 1n6f h ASP 699 CO 0.18 0.09 -0.27 0.59 -1.57 0.00 0.00 179.24 178.26 1n6f n ASN 700 N -3.21 1.40 -4.71 6.45 3.02 0.92 -5.00 115.26 114.14 1n6f n ASN 700 Ca 0.01 -1.20 -0.43 0.00 -0.03 0.00 0.00 54.58 52.93 1n6f n ASN 700 Cb 0.38 0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 40.00 1n6f n ASN 700 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n6f n TYR 701 N -0.20 2.55 -0.34 3.10 9.36 -1.10 -3.71 117.16 126.83 1n6f n TYR 701 Ca 0.05 0.31 0.10 0.00 3.32 0.00 0.00 57.90 61.68 1n6f n TYR 701 Cb 0.27 -2.55 0.27 0.00 -0.63 0.00 0.00 39.34 36.70 1n6f n TYR 701 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1n6f h TRP 702 N 4.72 1.03 -3.07 2.98 5.08 -1.16 -3.34 115.95 122.19 1n6f h TRP 702 Ca -0.46 0.03 -0.74 0.00 1.08 0.00 0.00 58.89 58.80 1n6f h TRP 702 Cb 1.24 -0.31 -0.23 0.00 -3.00 0.00 0.00 29.16 26.87 1n6f h TRP 702 CO 0.58 0.30 -0.09 1.21 -1.28 0.00 0.00 178.44 179.16 1n6f s ASN 703 N -5.51 6.23 0.25 0.11 3.04 -1.26 -4.93 114.94 112.87 1n6f s ASN 703 Ca -0.12 -1.74 -0.02 0.00 0.04 0.00 0.00 52.86 51.02 1n6f s ASN 703 Cb 0.23 -2.24 0.49 0.00 -1.54 0.00 0.00 41.25 38.20 1n6f s ASN 703 CO 0.80 -0.92 1.75 -0.08 -3.04 0.00 0.00 177.10 175.61 1n6f h GLU 704 N 8.92 0.54 0.32 0.43 4.81 -1.94 -2.55 114.58 125.10 1n6f h GLU 704 Ca -0.27 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1n6f h GLU 704 Cb 1.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1n6f h GLU 704 CO 1.04 0.35 -0.35 0.00 -0.73 0.00 0.00 179.01 179.32 1n6f h ALA 705 N 1.55 -1.02 -0.78 2.92 0.00 -1.94 -2.84 119.26 117.16 1n6f h ALA 705 Ca 0.44 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.40 1n6f h ALA 705 Cb 0.63 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1n6f h ALA 705 CO -0.37 -1.04 0.53 0.28 0.00 0.00 0.00 179.25 178.64 1n6f h VAL 706 N -0.68 0.72 0.13 0.00 2.07 -1.95 -2.76 116.25 113.78 1n6f h VAL 706 Ca -0.04 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1n6f h VAL 706 Cb 0.60 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1n6f h VAL 706 CO -0.06 0.05 -0.23 0.00 0.02 0.00 0.00 177.57 177.35 1n6f h ALA 707 N 1.64 -0.41 -0.84 1.67 0.00 -1.21 0.12 119.26 120.24 1n6f h ALA 707 Ca 0.39 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1n6f h ALA 707 Cb 1.07 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.10 1n6f h ALA 707 CO -0.10 -0.77 0.26 -0.22 0.00 0.00 0.00 179.25 178.41 1n6f h LYS 708 N -0.44 0.27 0.04 0.00 3.64 -1.47 0.16 116.57 118.77 1n6f h LYS 708 Ca 0.02 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n6f h LYS 708 Cb 0.45 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1n6f h LYS 708 CO -0.12 0.18 -0.02 1.49 -2.27 0.00 0.00 179.45 178.71 1n6f h GLU 709 N 0.28 -0.05 -0.14 1.90 4.22 -1.58 -3.09 114.58 116.12 1n6f h GLU 709 Ca 0.51 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.98 1n6f h GLU 709 Cb 0.96 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1n6f h GLU 709 CO -0.58 0.58 -0.03 0.82 -2.18 0.00 0.00 179.01 177.63 1n6f h ILE 710 N -0.79 0.87 0.67 2.32 1.08 -0.56 -2.16 117.51 118.94 1n6f h ILE 710 Ca -0.01 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1n6f h ILE 710 Cb 0.66 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1n6f h ILE 710 CO 0.01 0.00 -0.48 0.77 -0.69 0.00 0.00 178.15 177.76 1n6f h SER 711 N 0.01 -1.26 -0.07 1.72 4.64 -0.84 -2.35 113.55 115.39 1n6f h SER 711 Ca 0.07 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1n6f h SER 711 Cb 0.10 0.39 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1n6f h SER 711 CO -0.14 -0.70 0.09 -0.33 -0.87 0.00 0.00 176.83 174.87 1n6f h GLU 712 N -1.10 0.00 0.00 4.77 5.08 -1.52 -1.64 114.58 120.16 1n6f h GLU 712 Ca -0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1n6f h GLU 712 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1n6f h GLU 712 CO 0.04 0.00 -0.87 -0.09 -1.00 0.00 0.00 179.01 177.09 1n6f h ARG 713 N 0.00 0.00 0.00 2.33 2.43 -1.04 -3.37 114.38 114.73 1n6f h ARG 713 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1n6f h ARG 713 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1n6f h ARG 713 CO -0.00 0.69 -1.46 0.44 -1.51 0.00 0.00 179.97 178.13 1n6f n ILE 714 N -3.24 0.00 -0.01 1.20 -5.35 -0.88 -4.69 119.36 106.38 1n6f n ILE 714 Ca -0.01 -0.30 -0.04 0.00 -0.27 0.00 0.00 62.75 62.13 1n6f n ILE 714 Cb 0.85 0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 1n6f n ILE 714 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1n6f h TYR 715 N 0.00 -0.43 -0.28 4.28 5.03 -1.48 -2.78 116.97 121.31 1n6f h TYR 715 Ca 0.00 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.38 1n6f h TYR 715 Cb 0.64 0.20 -0.05 0.00 1.55 0.00 0.00 36.73 39.06 1n6f h TYR 715 CO 0.00 -0.14 -0.05 1.49 -1.32 0.00 0.00 178.16 178.14 1n6f h GLU 716 N -0.14 0.02 -0.67 1.82 4.81 -1.85 -0.96 114.58 117.61 1n6f h GLU 716 Ca 0.01 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1n6f h GLU 716 Cb 0.17 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.44 1n6f h GLU 716 CO -0.13 0.01 0.03 -0.22 -0.73 0.00 0.00 179.01 177.98 1n6f h LYS 717 N 0.02 0.14 0.00 1.92 3.64 -1.81 -1.89 116.57 118.58 1n6f h LYS 717 Ca 0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1n6f h LYS 717 Cb 0.20 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1n6f h LYS 717 CO -0.28 0.09 -0.65 1.88 -2.27 0.00 0.00 179.45 178.22 1n6f h TYR 718 N 0.14 0.00 -0.09 1.91 -1.99 -1.32 -3.31 116.97 112.32 1n6f h TYR 718 Ca 0.36 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.00 1n6f h TYR 718 Cb 0.60 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 1n6f h TYR 718 CO -0.36 0.15 -0.36 -0.09 -0.00 0.00 0.00 178.16 177.49 1n6f h ARG 719 N 0.00 0.18 0.00 4.88 2.43 -0.38 -2.63 114.38 118.86 1n6f h ARG 719 Ca -0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1n6f h ARG 719 Cb 1.13 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1n6f h ARG 719 CO 0.02 0.52 0.00 0.09 -1.51 0.00 0.00 179.97 179.09 1n6f n ASN 720 N -4.07 0.00 0.02 -3.80 3.02 -0.95 -2.03 115.26 107.45 1n6f n ASN 720 Ca -0.01 0.40 0.11 0.00 -0.03 0.00 0.00 54.58 55.04 1n6f n ASN 720 Cb 0.43 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 1n6f n ASN 720 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n6f n LEU 721 N -1.45 0.32 -0.13 3.41 4.77 -0.99 -4.44 117.00 118.50 1n6f n LEU 721 Ca 0.04 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 1n6f n LEU 721 Cb 0.14 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1n6f n LEU 721 CO 0.12 -0.02 0.70 0.58 -1.33 0.00 0.00 177.39 177.45 1n6f h VAL 722 N 0.00 0.37 0.00 4.08 2.07 -1.46 0.10 116.25 121.41 1n6f h VAL 722 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n6f h VAL 722 Cb 0.93 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1n6f h VAL 722 CO 0.00 0.00 0.01 -0.81 0.02 0.00 0.00 177.57 176.79 1n6f n PRO 723 N -5.39 0.06 0.03 1.57 -0.04 -1.26 0.01 135.00 129.98 1n6f n PRO 723 Ca 0.02 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 1n6f n PRO 723 Cb 0.30 -1.70 0.18 0.00 -0.04 0.00 0.00 33.50 32.24 1n6f n PRO 723 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n6f n LEU 724 N -1.81 0.61 -4.67 1.53 4.77 0.35 -4.84 117.00 112.94 1n6f n LEU 724 Ca -0.01 0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 1n6f n LEU 724 Cb 0.03 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1n6f n LEU 724 CO 0.04 0.02 0.83 0.00 -1.33 0.00 0.00 177.39 176.95 1n6f n LYS 726 N 5.55 1.57 -4.28 0.00 4.01 -1.26 -4.91 118.16 118.84 1n6f n LYS 726 Ca 0.10 -0.04 -0.25 0.00 -0.51 0.00 0.00 58.31 57.60 1n6f n LYS 726 Cb 0.48 -1.25 -0.08 0.00 -0.51 0.00 0.00 35.03 33.66 1n6f n LYS 726 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1n6f s THR 727 N -2.43 2.41 0.14 -0.18 -4.23 -1.26 -5.00 115.64 105.08 1n6f s THR 727 Ca -0.04 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 1n6f s THR 727 Cb 0.04 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1n6f s THR 727 CO 0.41 -0.08 1.73 -0.09 -0.54 0.00 0.00 174.62 176.05 1n6f h ARG 728 N 1.63 0.58 -0.71 3.99 9.65 -1.87 -2.34 114.38 125.30 1n6f h ARG 728 Ca -0.43 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 58.42 1n6f h ARG 728 Cb 1.25 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.67 1n6f h ARG 728 CO 0.70 0.49 0.41 -0.92 2.80 0.00 0.00 179.97 183.46 1n6f h TYR 729 N 0.52 0.76 0.06 2.20 3.20 -1.91 -0.18 116.97 121.62 1n6f h TYR 729 Ca 0.14 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1n6f h TYR 729 Cb 0.10 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 1n6f h TYR 729 CO -0.02 0.38 -0.37 -0.44 -1.64 0.00 0.00 178.16 176.08 1n6f h ASP 730 N 0.77 -1.09 -0.99 -2.11 3.45 -1.84 -0.77 116.42 113.84 1n6f h ASP 730 Ca 0.31 0.13 0.17 0.00 0.43 0.00 0.00 57.03 58.07 1n6f h ASP 730 Cb 0.16 0.42 -0.10 0.00 -0.56 0.00 0.00 39.33 39.25 1n6f h ASP 730 CO -0.17 -0.44 0.60 0.25 -1.57 0.00 0.00 179.24 177.92 1n6f h LEU 731 N -0.56 0.81 -0.27 1.55 7.12 -0.94 0.53 115.31 123.55 1n6f h LEU 731 Ca 0.04 0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.14 1n6f h LEU 731 Cb 0.62 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 1n6f h LEU 731 CO -0.25 0.33 0.17 -1.28 -0.13 0.00 0.00 178.44 177.28 1n6f h SER 732 N 0.82 0.29 -0.96 1.25 0.87 0.05 0.80 113.55 116.68 1n6f h SER 732 Ca 0.55 -0.00 0.12 0.00 -1.23 0.00 0.00 61.79 61.23 1n6f h SER 732 Cb 0.76 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.57 1n6f h SER 732 CO -0.35 0.21 0.58 0.78 -0.53 0.00 0.00 176.83 177.53 1n6f h ASN 733 N 0.36 0.83 0.05 6.23 4.21 0.47 -0.01 115.58 127.72 1n6f h ASN 733 Ca 0.10 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 1n6f h ASN 733 Cb -0.03 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.07 1n6f h ASN 733 CO -0.03 0.43 -0.02 0.58 -1.29 0.00 0.00 177.43 177.09 1n6f h VAL 734 N 0.90 1.30 -0.41 2.81 2.07 -0.90 -2.99 116.25 119.02 1n6f h VAL 734 Ca 0.48 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1n6f h VAL 734 Cb 0.52 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 1n6f h VAL 734 CO -0.28 0.32 0.14 0.40 0.02 0.00 0.00 177.57 178.17 1n6f h ILE 735 N -0.67 0.86 -0.61 4.57 2.04 -0.38 -2.39 117.51 120.94 1n6f h ILE 735 Ca -0.01 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1n6f h ILE 735 Cb 0.58 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1n6f h ILE 735 CO 0.01 0.05 0.40 0.58 0.00 0.00 0.00 178.15 179.20 1n6f h VAL 736 N 0.30 1.16 -0.67 1.67 2.07 -1.12 -0.32 116.25 119.33 1n6f h VAL 736 Ca 0.19 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1n6f h VAL 736 Cb 0.18 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1n6f h VAL 736 CO -0.20 0.15 0.45 -0.33 0.02 0.00 0.00 177.57 177.66 1n6f h GLU 737 N 0.83 0.79 0.00 1.57 4.39 -1.32 0.08 114.58 120.91 1n6f h GLU 737 Ca 0.22 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1n6f h GLU 737 Cb -0.09 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.36 1n6f h GLU 737 CO -0.05 0.52 -0.56 0.00 -1.16 0.00 0.00 179.01 177.76 1n6f h MET 738 N 0.82 0.00 -0.18 2.33 -0.00 -0.86 -2.99 114.93 114.04 1n6f h MET 738 Ca 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.81 1n6f h MET 738 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.65 1n6f h MET 738 CO -0.07 0.56 -0.54 1.96 -0.00 0.00 0.00 176.91 178.82 1n6f h GLN 739 N 0.00 0.53 -0.02 -0.10 4.20 0.32 -2.84 115.11 117.18 1n6f h GLN 739 Ca -0.01 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.38 1n6f h GLN 739 Cb 1.28 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1n6f h GLN 739 CO 0.07 0.93 0.04 0.78 -0.67 0.00 0.00 178.83 179.98 1n6f h GLY 740 N 1.09 0.00 2.00 3.46 0.00 -0.89 -1.95 103.07 106.78 1n6f h GLY 740 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1n6f h GLY 740 CO 0.10 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.47 1n6f h GLU 741 N 0.00 0.00 -0.00 4.80 4.39 -1.47 0.22 114.58 122.51 1n6f h GLU 741 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1n6f h GLU 741 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1n6f h GLU 741 CO -0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1n6f n TYR 742 N -2.98 0.00 -4.40 4.33 4.02 -0.73 -4.90 117.16 112.50 1n6f n TYR 742 Ca -0.03 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.49 1n6f n TYR 742 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.32 1n6f n TYR 742 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1n6f n ARG 743 N -0.78 -1.19 -4.15 -0.72 1.74 0.04 -4.92 116.66 106.68 1n6f n ARG 743 Ca 0.22 0.16 -0.10 0.00 -0.77 0.00 0.00 57.85 57.37 1n6f n ARG 743 Cb 0.15 -4.34 -0.10 0.00 -1.02 0.00 0.00 32.46 27.15 1n6f n ARG 743 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1n6f s THR 744 N -3.71 0.43 0.98 0.55 2.01 -1.26 -4.90 115.64 109.74 1n6f s THR 744 Ca 0.48 -1.90 -0.16 0.00 0.31 0.00 0.00 61.69 60.41 1n6f s THR 744 Cb -0.28 -1.78 0.24 0.00 0.01 0.00 0.00 72.50 70.69 1n6f s THR 744 CO 1.00 -0.76 0.99 -1.54 -0.69 0.00 0.00 174.62 173.61 1n6f n SER 745 N -0.04 -1.31 -3.10 3.53 3.41 -1.26 -4.40 113.62 110.45 1n6f n SER 745 Ca -0.10 -1.17 -0.19 0.00 -0.26 0.00 0.00 58.87 57.14 1n6f n SER 745 Cb 0.62 -0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1n6f n SER 745 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n6f n HIS 746 N -4.21 -1.70 -3.50 7.33 8.25 -1.26 -4.40 115.22 115.72 1n6f n HIS 746 Ca 0.13 0.32 -0.41 0.00 -0.26 0.00 0.00 57.72 57.50 1n6f n HIS 746 Cb 0.50 -2.72 -0.04 0.00 1.12 0.00 0.00 29.99 28.85 1n6f n HIS 746 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1n6f s SER 747 N -2.51 6.34 0.45 0.41 0.01 -1.26 -3.57 113.70 113.57 1n6f s SER 747 Ca 0.28 -3.20 0.07 0.00 1.31 0.00 0.00 55.95 54.42 1n6f s SER 747 Cb -0.15 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 1n6f s SER 747 CO 0.35 -0.36 0.43 -0.31 0.41 0.00 0.00 173.24 173.75 1n6f s TYR 748 N -0.60 2.43 -0.14 2.43 4.12 -1.23 -4.89 117.35 119.47 1n6f s TYR 748 Ca 0.23 -0.56 -0.04 0.00 0.02 0.00 0.00 57.07 56.72 1n6f s TYR 748 Cb -0.12 -2.15 0.06 0.00 -1.52 0.00 0.00 41.96 38.24 1n6f s TYR 748 CO -0.08 -0.28 0.16 -2.00 0.02 0.00 0.00 175.55 173.37 1n6f s GLU 749 N -4.21 0.08 0.18 -0.62 2.12 -1.26 -1.13 118.70 113.86 1n6f s GLU 749 Ca 0.47 0.32 0.05 0.00 0.36 0.00 0.00 54.97 56.18 1n6f s GLU 749 Cb -0.04 -0.87 -0.05 0.00 0.26 0.00 0.00 34.13 33.44 1n6f s GLU 749 CO 0.28 -0.48 -0.10 -1.64 -0.54 0.00 0.00 175.26 172.78 1n6f s MET 750 N 2.27 1.20 0.82 4.30 -1.94 0.15 -4.58 119.30 121.52 1n6f s MET 750 Ca 0.04 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.48 1n6f s MET 750 Cb -0.14 -0.80 0.00 0.00 2.01 0.00 0.00 34.83 35.90 1n6f s MET 750 CO -0.08 0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.42 1n6f n GLY 751 N -0.30 -1.89 0.00 -0.03 0.00 -1.26 0.91 105.19 102.62 1n6f n GLY 751 Ca -0.09 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1n6f n GLY 751 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 752 N -0.90 1.40 3.33 -0.02 0.00 -1.26 -4.60 105.19 103.14 1n6f n GLY 752 Ca 0.00 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1n6f n GLY 752 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n6f s THR 753 N -2.92 4.18 -0.10 2.61 2.01 -1.25 -3.80 115.64 116.36 1n6f s THR 753 Ca 0.00 -0.96 0.17 0.00 0.31 0.00 0.00 61.69 61.21 1n6f s THR 753 Cb 0.00 -3.33 -0.25 0.00 0.01 0.00 0.00 72.50 68.93 1n6f s THR 753 CO 0.00 -0.18 0.23 0.49 -0.69 0.00 0.00 174.62 174.47 1n6f n PHE 754 N 4.90 0.00 -3.62 4.92 3.72 0.48 -4.81 117.46 123.06 1n6f n PHE 754 Ca -0.12 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 1n6f n PHE 754 Cb 0.46 -0.66 -0.05 0.00 -0.94 0.00 0.00 39.48 38.29 1n6f n PHE 754 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1n6f s THR 755 N -2.85 0.05 -1.65 4.37 -1.32 -1.24 -4.76 115.64 108.24 1n6f s THR 755 Ca -0.08 -0.45 0.21 0.00 -1.21 0.00 0.00 61.69 60.17 1n6f s THR 755 Cb 0.08 -1.06 0.69 0.00 -1.51 0.00 0.00 72.50 70.70 1n6f s THR 755 CO 0.75 -0.25 1.58 -0.90 -2.21 0.00 0.00 174.62 173.60 1n6f n ASP 756 N 0.08 4.31 -4.76 8.08 5.75 -1.26 -4.24 116.55 124.51 1n6f n ASP 756 Ca -0.17 -2.18 -0.39 0.00 -0.01 0.00 0.00 54.79 52.03 1n6f n ASP 756 Cb 0.62 -0.53 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 1n6f n ASP 756 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1n6f s LYS 757 N -1.36 4.74 0.40 0.11 -0.14 -1.26 -5.03 119.74 117.21 1n6f s LYS 757 Ca 0.50 1.38 -0.24 0.00 -1.36 0.00 0.00 55.97 56.25 1n6f s LYS 757 Cb 0.29 -3.18 -0.09 0.00 -1.68 0.00 0.00 37.83 33.17 1n6f s LYS 757 CO 0.30 0.49 1.06 -0.51 -0.76 0.00 0.00 175.35 175.93 1n6f s ASP 758 N -1.26 6.69 0.42 2.83 1.01 -1.26 -1.97 116.67 123.13 1n6f s ASP 758 Ca 0.42 2.07 -0.26 0.00 0.71 0.00 0.00 52.55 55.49 1n6f s ASP 758 Cb -0.24 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.01 1n6f s ASP 758 CO 0.29 -0.54 1.39 -0.81 0.21 0.00 0.00 175.17 175.71 1n6f n PRO 759 N -0.11 2.24 -1.74 8.23 -0.04 -1.26 -3.92 135.00 138.41 1n6f n PRO 759 Ca 0.05 0.79 -0.40 0.00 -0.04 0.00 0.00 63.50 63.91 1n6f n PRO 759 Cb 0.49 -2.55 0.03 0.00 -0.04 0.00 0.00 33.50 31.43 1n6f n PRO 759 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n6f n PHE 760 N -0.05 2.36 -4.23 0.54 3.72 -1.26 -4.86 117.46 113.68 1n6f n PHE 760 Ca 0.05 0.45 -0.28 0.00 -0.05 0.00 0.00 57.45 57.61 1n6f n PHE 760 Cb 0.40 -2.40 -0.09 0.00 -0.94 0.00 0.00 39.48 36.45 1n6f n PHE 760 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n6f s ARG 761 N -2.55 2.19 -0.03 -1.08 1.81 -1.26 -4.83 118.95 113.21 1n6f s ARG 761 Ca 0.65 -1.09 -0.01 0.00 -1.72 0.00 0.00 55.73 53.56 1n6f s ARG 761 Cb -0.45 -2.30 0.03 0.00 -0.45 0.00 0.00 34.95 31.78 1n6f s ARG 761 CO 0.54 0.48 0.06 0.45 -0.68 0.00 0.00 175.30 176.16 1n6f s SER 762 N -2.52 0.01 -0.24 0.23 0.15 -1.26 -4.55 113.70 105.53 1n6f s SER 762 Ca 0.24 0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.82 1n6f s SER 762 Cb -0.10 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1n6f s SER 762 CO 0.15 -0.12 0.53 -0.83 1.20 0.00 0.00 173.24 174.17 1n6f s GLY 763 N 1.01 1.93 -0.02 9.45 0.00 -1.24 -4.37 107.32 114.08 1n6f s GLY 763 Ca -0.08 -0.50 0.05 0.00 0.00 0.00 0.00 44.72 44.18 1n6f s GLY 763 CO -0.04 1.21 -0.15 0.50 0.00 0.00 0.00 173.10 174.62 1n6f s ARG 764 N 2.07 1.31 -0.11 2.90 3.00 0.92 -4.53 118.95 124.51 1n6f s ARG 764 Ca 0.23 -0.54 0.17 0.00 0.00 0.00 0.00 55.73 55.59 1n6f s ARG 764 Cb -0.16 -1.24 0.39 0.00 0.00 0.00 0.00 34.95 33.95 1n6f s ARG 764 CO 0.09 0.30 1.18 0.44 0.00 0.00 0.00 175.30 177.32 1n6f n ILE 765 N 2.81 1.20 -3.66 1.52 -0.00 -1.26 -0.28 119.36 119.69 1n6f n ILE 765 Ca -0.15 -2.13 -0.22 0.00 -0.00 0.00 0.00 62.75 60.25 1n6f n ILE 765 Cb 0.54 0.29 0.04 0.00 -0.00 0.00 0.00 39.64 40.51 1n6f n ILE 765 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1n6f n ALA 766 N -0.45 -2.12 -2.66 -1.28 0.00 -1.26 -4.16 120.51 108.58 1n6f n ALA 766 Ca 0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1n6f n ALA 766 Cb 0.87 -2.52 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 1n6f n ALA 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n6f s ASP 768 N -2.23 4.62 -0.08 0.00 -0.00 0.33 -4.95 116.67 114.35 1n6f s ASP 768 Ca -0.03 -0.21 -0.03 0.00 -0.00 0.00 0.00 52.55 52.27 1n6f s ASP 768 Cb -0.00 -1.76 -0.04 0.00 -0.00 0.00 0.00 42.92 41.12 1n6f s ASP 768 CO -0.05 0.12 0.07 -0.36 -0.00 0.00 0.00 175.17 174.95 1n6f s PHE 769 N 0.66 3.35 -0.09 4.23 2.99 -1.26 0.41 117.98 128.27 1n6f s PHE 769 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 56.93 57.22 1n6f s PHE 769 Cb -0.15 -1.83 0.02 0.00 0.00 0.00 0.00 43.02 41.07 1n6f s PHE 769 CO 0.02 0.59 -0.07 0.21 -0.00 0.00 0.00 175.22 175.97 1n6f s LYS 770 N -1.16 1.35 -0.55 0.44 2.20 -0.74 -4.82 119.74 116.46 1n6f s LYS 770 Ca 0.16 -0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 1n6f s LYS 770 Cb -0.12 -1.40 0.02 0.00 -1.51 0.00 0.00 37.83 34.83 1n6f s LYS 770 CO 0.06 -0.21 1.31 -1.17 -0.36 0.00 0.00 175.35 174.99 1n6f s LEU 771 N 1.50 3.45 -0.29 5.43 1.98 -1.26 -1.08 118.68 128.40 1n6f s LEU 771 Ca 0.00 0.27 -0.01 0.00 -2.89 0.00 0.00 54.13 51.50 1n6f s LEU 771 Cb -0.13 -3.16 0.05 0.00 0.66 0.00 0.00 46.19 43.61 1n6f s LEU 771 CO -0.05 -1.58 -0.02 -0.62 -1.89 0.00 0.00 176.35 172.19 1n6f s ASP 772 N 3.70 4.80 1.29 3.68 -1.08 -0.59 -4.98 116.67 123.49 1n6f s ASP 772 Ca 0.49 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.22 1n6f s ASP 772 Cb -0.09 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.69 1n6f s ASP 772 CO 0.26 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.31 1n6f n GLY 773 N 4.58 2.69 0.14 2.66 0.00 -1.26 -2.75 105.19 111.25 1n6f n GLY 773 Ca -0.13 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1n6f n GLY 773 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n6f n ASP 774 N 9.20 2.46 -4.01 1.61 5.75 -1.26 -4.65 116.55 125.66 1n6f n ASP 774 Ca 0.00 -2.98 -0.13 0.00 -0.01 0.00 0.00 54.79 51.67 1n6f n ASP 774 Cb 0.00 -0.40 -0.12 0.00 -1.03 0.00 0.00 41.12 39.56 1n6f n ASP 774 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1n6f s HIS 775 N -2.70 0.53 0.03 2.11 3.76 -1.11 -2.76 115.29 115.15 1n6f s HIS 775 Ca 0.30 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.64 1n6f s HIS 775 Cb 0.26 -0.33 -0.06 0.00 1.11 0.00 0.00 32.58 33.57 1n6f s HIS 775 CO 0.03 -0.07 0.67 0.71 -0.85 0.00 0.00 174.74 175.24 1n6f s TYR 776 N -0.91 3.72 0.16 1.40 1.51 -1.26 -1.54 117.35 120.42 1n6f s TYR 776 Ca -0.06 1.33 0.09 0.00 -1.01 0.00 0.00 57.07 57.42 1n6f s TYR 776 Cb -0.07 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 1n6f s TYR 776 CO 0.00 0.34 -0.16 0.54 -1.11 0.00 0.00 175.55 175.16 1n6f s VAL 777 N -0.24 2.86 -0.65 0.71 0.11 -0.24 -1.32 120.40 121.62 1n6f s VAL 777 Ca 0.34 -1.68 -0.26 0.00 -2.93 0.00 0.00 61.98 57.45 1n6f s VAL 777 Cb -0.19 -2.37 0.04 0.00 -1.53 0.00 0.00 36.38 32.33 1n6f s VAL 777 CO 0.20 -0.03 1.13 -0.69 -3.33 0.00 0.00 175.10 172.39 1n6f s VAL 778 N -1.47 4.04 0.14 2.04 1.01 0.18 -1.79 120.40 124.55 1n6f s VAL 778 Ca 0.21 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1n6f s VAL 778 Cb -0.09 -4.75 -0.13 0.00 0.00 0.00 0.00 36.38 31.41 1n6f s VAL 778 CO 0.12 -1.51 1.38 0.00 0.00 0.00 0.00 175.10 175.08 1n6f h ALA 779 N 9.68 0.46 -2.74 5.51 0.00 -0.38 0.04 119.26 131.84 1n6f h ALA 779 Ca -0.27 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 1n6f h ALA 779 Cb 1.06 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 1n6f h ALA 779 CO 1.20 0.72 -0.23 0.21 0.00 0.00 0.00 179.25 181.15 1n6f s LYS 780 N -3.71 0.49 -0.30 0.00 2.20 -1.14 -4.78 119.74 112.50 1n6f s LYS 780 Ca -0.08 0.55 0.03 0.00 -0.36 0.00 0.00 55.97 56.12 1n6f s LYS 780 Cb 0.10 0.24 0.08 0.00 -1.51 0.00 0.00 37.83 36.73 1n6f s LYS 780 CO 0.87 -0.06 -0.03 0.00 -0.36 0.00 0.00 175.35 175.77 1n6f s ALA 781 N 0.18 2.68 0.35 3.13 0.00 -1.26 -0.52 121.76 126.32 1n6f s ALA 781 Ca -0.00 -2.09 -0.26 0.00 0.00 0.00 0.00 51.96 49.60 1n6f s ALA 781 Cb -0.03 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 1n6f s ALA 781 CO 0.01 -1.42 1.11 0.71 0.00 0.00 0.00 175.76 176.16 1n6f s TYR 782 N 1.03 3.32 -0.28 0.00 1.51 -0.90 -4.91 117.35 117.12 1n6f s TYR 782 Ca 0.00 1.64 -0.22 0.00 -1.01 0.00 0.00 57.07 57.48 1n6f s TYR 782 Cb -0.19 -3.27 0.12 0.00 -0.11 0.00 0.00 41.96 38.50 1n6f s TYR 782 CO -0.07 -0.82 0.95 0.00 -1.11 0.00 0.00 175.55 174.51 1n6f s ALA 783 N -1.39 -2.01 0.00 3.71 0.00 -1.26 -1.41 121.76 119.40 1n6f s ALA 783 Ca 0.52 2.02 0.00 0.00 0.00 0.00 0.00 51.96 54.50 1n6f s ALA 783 Cb -0.29 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1n6f s ALA 783 CO 0.36 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1n6f n GLY 784 N 2.80 0.60 3.41 0.00 0.00 0.05 -4.32 105.19 107.75 1n6f n GLY 784 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1n6f n GLY 784 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n6f s ASP 785 N -0.05 6.18 0.45 1.61 -1.08 -1.26 -4.92 116.67 117.60 1n6f s ASP 785 Ca 0.00 -1.20 0.31 0.00 -0.52 0.00 0.00 52.55 51.15 1n6f s ASP 785 Cb 0.00 -2.35 1.44 0.00 -1.46 0.00 0.00 42.92 40.55 1n6f s ASP 785 CO 0.00 -1.25 1.63 1.88 0.52 0.00 0.00 175.17 177.95 1n6f h TYR 786 N 9.34 0.47 -0.00 -5.34 0.05 -1.93 0.30 116.97 119.87 1n6f h TYR 786 Ca -0.29 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1n6f h TYR 786 Cb 1.08 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1n6f h TYR 786 CO 0.89 -0.18 -0.18 0.43 -1.05 0.00 0.00 178.16 178.07 1n6f n SER 787 N -4.62 0.19 -4.82 3.88 7.64 -1.26 -4.85 113.62 109.78 1n6f n SER 787 Ca 0.37 0.19 -0.27 0.00 1.01 0.00 0.00 58.87 60.18 1n6f n SER 787 Cb 1.45 -0.22 0.09 0.00 -1.01 0.00 0.00 64.21 64.52 1n6f n SER 787 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1n6f s ASN 788 N -2.98 4.53 0.16 6.43 0.01 0.11 -5.06 114.94 118.13 1n6f s ASN 788 Ca 0.14 0.47 -0.10 0.00 -0.71 0.00 0.00 52.86 52.66 1n6f s ASN 788 Cb 0.19 -1.00 -0.06 0.00 0.41 0.00 0.00 41.25 40.78 1n6f s ASN 788 CO 0.59 -1.81 0.48 -0.70 -1.51 0.00 0.00 177.10 174.15 1n6f s GLU 789 N -5.39 3.79 -1.49 -0.60 2.12 -1.26 -4.40 118.70 111.48 1n6f s GLU 789 Ca 0.62 0.23 -0.05 0.00 0.36 0.00 0.00 54.97 56.13 1n6f s GLU 789 Cb -0.10 -2.83 0.04 0.00 0.26 0.00 0.00 34.13 31.51 1n6f s GLU 789 CO 0.47 0.44 0.51 0.41 -0.54 0.00 0.00 175.26 176.54 1n6f n GLY 790 N 0.35 -0.28 0.97 -1.50 0.00 -1.26 -4.88 105.19 98.59 1n6f n GLY 790 Ca -0.03 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1n6f n GLY 790 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n6f n GLU 791 N -4.42 0.59 -3.50 1.61 1.02 -1.26 -4.30 120.64 110.38 1n6f n GLU 791 Ca -0.21 -2.30 -0.10 0.00 -0.02 0.00 0.00 57.16 54.53 1n6f n GLU 791 Cb 0.64 -0.68 -0.03 0.00 -0.02 0.00 0.00 31.44 31.35 1n6f n GLU 791 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1n6f s LYS 792 N -1.22 0.89 0.15 3.49 -2.85 -1.26 -0.77 119.74 118.18 1n6f s LYS 792 Ca 0.30 -0.25 -0.33 0.00 -1.00 0.00 0.00 55.97 54.70 1n6f s LYS 792 Cb 0.32 0.41 -0.13 0.00 -2.06 0.00 0.00 37.83 36.38 1n6f s LYS 792 CO -0.10 -0.37 1.66 0.45 0.10 0.00 0.00 175.35 177.09 1n6f n SER 793 N -0.09 3.45 0.31 0.03 2.88 -0.50 -4.79 113.62 114.91 1n6f n SER 793 Ca -0.11 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.61 1n6f n SER 793 Cb 0.62 -1.47 0.64 0.00 -0.75 0.00 0.00 64.21 63.24 1n6f n SER 793 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1n6f h PRO 794 N 6.63 0.00 -0.57 -1.46 0.13 -1.88 0.22 132.00 135.06 1n6f h PRO 794 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1n6f h PRO 794 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1n6f h PRO 794 CO 0.92 0.00 0.13 0.82 -0.23 0.00 0.00 178.00 179.64 1n6f h ILE 795 N 0.00 1.23 -1.13 -3.56 2.04 -1.87 -3.01 117.51 111.22 1n6f h ILE 795 Ca 0.00 -0.86 0.32 0.00 1.00 0.00 0.00 64.86 65.32 1n6f h ILE 795 Cb 0.82 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1n6f h ILE 795 CO 0.00 0.32 0.79 -0.26 0.00 0.00 0.00 178.15 179.00 1n6f h PHE 796 N 0.85 0.18 0.00 1.37 -1.00 -1.09 -0.51 116.94 116.74 1n6f h PHE 796 Ca 0.19 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1n6f h PHE 796 Cb 0.32 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1n6f h PHE 796 CO 0.02 0.01 0.06 0.39 -1.61 0.00 0.00 178.31 177.18 1n6f n GLU 797 N -4.31 0.10 -0.58 1.51 1.02 -1.14 -0.42 120.64 116.82 1n6f n GLU 797 Ca 0.25 0.59 0.09 0.00 -0.02 0.00 0.00 57.16 58.07 1n6f n GLU 797 Cb 1.13 -1.90 0.33 0.00 -0.02 0.00 0.00 31.44 30.98 1n6f n GLU 797 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n6f n TYR 798 N -2.06 1.40 -3.01 -0.32 4.02 -0.20 -4.96 117.16 112.04 1n6f n TYR 798 Ca -0.01 -0.56 -0.12 0.00 -0.01 0.00 0.00 57.90 57.20 1n6f n TYR 798 Cb 0.09 -0.24 0.05 0.00 -0.02 0.00 0.00 39.34 39.22 1n6f n TYR 798 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n6f n GLY 799 N 1.07 -0.04 3.59 2.72 0.00 0.44 -5.05 105.19 107.92 1n6f n GLY 799 Ca 0.24 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1n6f n GLY 799 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n6f s ILE 800 N -3.22 0.00 -0.39 -0.61 -4.36 -1.25 -5.11 121.20 106.26 1n6f s ILE 800 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.34 1n6f s ILE 800 Cb -0.06 -1.00 0.01 0.00 1.25 0.00 0.00 42.46 42.66 1n6f s ILE 800 CO 0.46 0.00 0.52 -0.62 0.24 0.00 0.00 174.94 175.54 1n6f s ASP 801 N -0.30 6.28 0.42 4.36 3.68 -1.26 -4.10 116.67 125.75 1n6f s ASP 801 Ca -0.04 -0.28 0.28 0.00 2.13 0.00 0.00 52.55 54.64 1n6f s ASP 801 Cb -0.03 -2.27 1.52 0.00 -1.45 0.00 0.00 42.92 40.70 1n6f s ASP 801 CO 0.04 -0.57 1.86 1.55 0.13 0.00 0.00 175.17 178.18 1n6f h PRO 802 N 8.63 0.00 -6.32 4.34 0.13 -1.97 -3.45 132.00 133.36 1n6f h PRO 802 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.23 1n6f h PRO 802 Cb 1.12 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.35 1n6f h PRO 802 CO 0.80 0.00 -0.06 2.41 -0.23 0.00 0.00 178.00 180.93 1n6f n THR 803 N -2.49 1.91 0.00 1.56 -1.04 -1.26 -0.96 114.28 112.00 1n6f n THR 803 Ca -0.02 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1n6f n THR 803 Cb 0.05 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1n6f n THR 803 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n6f n GLY 804 N 1.50 2.49 3.75 3.41 0.00 0.00 -4.97 105.19 111.37 1n6f n GLY 804 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1n6f n GLY 804 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n6f s TYR 805 N -0.73 2.39 -0.09 1.61 2.02 -0.14 -4.61 117.35 117.80 1n6f s TYR 805 Ca 0.00 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.26 1n6f s TYR 805 Cb 0.00 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.33 1n6f s TYR 805 CO 0.00 -2.01 0.04 -0.51 -1.57 0.00 0.00 175.55 171.50 1n6f s LEU 806 N -5.49 3.83 -0.40 -1.29 1.43 0.66 -0.65 118.68 116.77 1n6f s LEU 806 Ca 0.66 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.85 1n6f s LEU 806 Cb -0.21 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1n6f s LEU 806 CO 0.49 0.38 0.33 -0.63 0.23 0.00 0.00 176.35 177.15 1n6f s ILE 807 N -0.94 5.22 0.00 -0.59 1.01 -0.44 -1.08 121.20 124.38 1n6f s ILE 807 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1n6f s ILE 807 Cb -0.12 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1n6f s ILE 807 CO 0.03 -0.29 0.25 -0.62 0.00 0.00 0.00 174.94 174.31 1n6f n GLU 808 N 5.27 0.00 -4.09 2.79 -0.58 -0.61 -4.24 120.64 119.18 1n6f n GLU 808 Ca -0.10 0.41 -0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1n6f n GLU 808 Cb 0.47 -1.04 -0.09 0.00 -0.57 0.00 0.00 31.44 30.21 1n6f n GLU 808 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1n6f s ASP 809 N -2.45 0.32 -0.08 1.62 -4.77 -1.24 -2.39 116.67 107.68 1n6f s ASP 809 Ca 0.00 -1.06 0.01 0.00 -3.30 0.00 0.00 52.55 48.20 1n6f s ASP 809 Cb 0.00 0.28 0.02 0.00 -1.09 0.00 0.00 42.92 42.13 1n6f s ASP 809 CO 0.00 -0.70 -0.09 -0.63 0.70 0.00 0.00 175.17 174.44 1n6f s ILE 810 N -3.98 0.99 -1.48 2.11 1.01 0.11 -1.36 121.20 118.59 1n6f s ILE 810 Ca 0.16 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 1n6f s ILE 810 Cb 0.07 -0.95 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1n6f s ILE 810 CO -0.03 0.34 0.95 -0.67 0.00 0.00 0.00 174.94 175.52 1n6f n ASP 811 N 4.23 -4.23 0.00 3.58 4.64 0.28 -1.27 116.55 123.79 1n6f n ASP 811 Ca -0.20 -0.77 0.00 0.00 -1.38 0.00 0.00 54.79 52.44 1n6f n ASP 811 Cb 0.51 -4.00 0.00 0.00 -1.04 0.00 0.00 41.12 36.59 1n6f n ASP 811 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1n6f n GLY 812 N -1.70 2.64 3.73 0.27 0.00 -1.26 -4.98 105.19 103.90 1n6f n GLY 812 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1n6f n GLY 812 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n6f s GLU 813 N 0.00 4.30 0.28 1.61 2.12 -0.39 -5.03 118.70 121.59 1n6f s GLU 813 Ca 0.00 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 1n6f s GLU 813 Cb 0.00 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 1n6f s GLU 813 CO 0.00 0.22 1.13 0.99 -0.54 0.00 0.00 175.26 177.05 1n6f s THR 814 N 0.43 3.43 0.03 -1.70 2.01 -1.26 0.06 115.64 118.64 1n6f s THR 814 Ca 0.26 1.42 0.06 0.00 0.31 0.00 0.00 61.69 63.74 1n6f s THR 814 Cb -0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1n6f s THR 814 CO 0.11 0.33 -0.19 0.68 -0.69 0.00 0.00 174.62 174.86 1n6f s VAL 815 N -1.06 1.51 -3.50 3.82 -7.23 -1.01 -4.60 120.40 108.33 1n6f s VAL 815 Ca 0.46 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1n6f s VAL 815 Cb -0.33 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1n6f s VAL 815 CO 0.42 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 1n6f n GLY 816 N 2.04 -0.54 0.41 2.32 0.00 -0.90 -4.56 105.19 103.95 1n6f n GLY 816 Ca -0.17 -0.65 0.17 0.00 0.00 0.00 0.00 46.02 45.38 1n6f n GLY 816 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f h ALA 817 N 0.00 2.17 0.00 4.61 0.00 -1.78 -2.27 119.26 121.99 1n6f h ALA 817 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1n6f h ALA 817 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1n6f h ALA 817 CO 0.00 -0.98 -1.83 0.41 0.00 0.00 0.00 179.25 176.84 1n6f n GLY 818 N -1.50 -0.24 3.59 0.00 0.00 -1.26 -4.97 105.19 100.80 1n6f n GLY 818 Ca 0.08 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1n6f n GLY 818 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n6f s SER 819 N -5.32 6.03 -0.31 1.61 0.15 -0.86 -5.03 113.70 109.98 1n6f s SER 819 Ca -0.18 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 1n6f s SER 819 Cb 0.05 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1n6f s SER 819 CO 0.35 -0.07 2.08 0.21 1.20 0.00 0.00 173.24 177.01 1n6f s ASN 820 N 1.75 5.46 0.40 5.45 3.84 -1.26 -2.12 114.94 128.46 1n6f s ASN 820 Ca 0.07 1.50 0.06 0.00 0.21 0.00 0.00 52.86 54.70 1n6f s ASN 820 Cb -0.16 -2.52 0.80 0.00 -0.55 0.00 0.00 41.25 38.83 1n6f s ASN 820 CO 0.11 -2.02 2.05 -0.29 -2.79 0.00 0.00 177.10 174.16 1n6f h ILE 821 N 7.09 1.12 0.32 -5.21 2.10 -1.88 -2.44 117.51 118.61 1n6f h ILE 821 Ca -0.36 -0.22 -0.02 0.00 1.08 0.00 0.00 64.86 65.35 1n6f h ILE 821 Cb 1.21 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1n6f h ILE 821 CO 1.02 0.12 -0.15 1.88 -1.08 0.00 0.00 178.15 179.93 1n6f h TYR 822 N 0.63 -0.40 -0.43 2.19 0.05 -1.90 0.14 116.97 117.26 1n6f h TYR 822 Ca 0.17 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.00 1n6f h TYR 822 Cb -0.06 0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 1n6f h TYR 822 CO -0.00 -0.17 0.16 -0.09 -1.05 0.00 0.00 178.16 177.01 1n6f h ARG 823 N -0.56 0.32 0.27 4.88 2.43 -1.86 0.42 114.38 120.28 1n6f h ARG 823 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1n6f h ARG 823 Cb 0.41 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1n6f h ARG 823 CO 0.07 0.21 -0.31 0.28 -1.51 0.00 0.00 179.97 178.72 1n6f h VAL 824 N 0.33 0.35 -0.74 0.20 2.07 -1.31 0.11 116.25 117.26 1n6f h VAL 824 Ca 0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 1n6f h VAL 824 Cb 0.18 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1n6f h VAL 824 CO -0.19 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.70 1n6f h LEU 825 N -0.62 0.49 -1.15 2.57 3.38 -0.20 -0.10 115.31 119.68 1n6f h LEU 825 Ca -0.00 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1n6f h LEU 825 Cb 0.59 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1n6f h LEU 825 CO -0.09 0.27 0.59 -1.28 0.09 0.00 0.00 178.44 178.03 1n6f h SER 826 N 0.63 0.85 0.34 -0.43 0.87 0.53 -1.13 113.55 115.22 1n6f h SER 826 Ca 0.37 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1n6f h SER 826 Cb 0.40 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1n6f h SER 826 CO -0.28 0.50 0.00 -0.62 -0.53 0.00 0.00 176.83 175.91 1n6f n GLU 827 N -4.53 0.33 0.00 2.24 1.02 -0.04 -2.73 120.64 116.93 1n6f n GLU 827 Ca 0.16 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1n6f n GLU 827 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1n6f n GLU 827 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n6f n LYS 828 N -1.25 1.48 -1.58 3.49 4.76 -0.50 -5.04 118.16 119.51 1n6f n LYS 828 Ca 0.10 -0.37 -0.53 0.00 -2.87 0.00 0.00 58.31 54.64 1n6f n LYS 828 Cb 0.15 -0.86 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 1n6f n LYS 828 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n6f n ALA 829 N -0.29 -1.27 -0.41 7.82 0.00 -0.75 -1.51 120.51 124.10 1n6f n ALA 829 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1n6f n ALA 829 Cb 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1n6f n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 830 N 2.40 0.76 3.36 0.00 0.00 0.05 -4.97 105.19 106.79 1n6f n GLY 830 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1n6f n GLY 830 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n6f s THR 831 N -2.33 0.00 -0.17 2.61 -4.23 -0.57 -4.97 115.64 105.98 1n6f s THR 831 Ca 0.00 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1n6f s THR 831 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1n6f s THR 831 CO 0.00 0.00 0.03 -0.44 -0.54 0.00 0.00 174.62 173.67 1n6f s SER 832 N -3.28 5.33 0.15 3.99 0.01 -1.26 -0.32 113.70 118.32 1n6f s SER 832 Ca 0.36 0.01 0.10 0.00 1.31 0.00 0.00 55.95 57.72 1n6f s SER 832 Cb 0.02 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 1n6f s SER 832 CO 0.22 0.18 -0.22 0.00 0.41 0.00 0.00 173.24 173.83 1n6f s ALA 833 N 0.34 2.16 0.08 1.44 0.00 -0.34 -4.88 121.76 120.56 1n6f s ALA 833 Ca 0.01 -1.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.19 1n6f s ALA 833 Cb -0.13 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 1n6f s ALA 833 CO 0.01 0.36 1.16 0.50 0.00 0.00 0.00 175.76 177.79 1n6f s ARG 834 N -2.47 4.47 -0.14 0.00 3.52 -1.26 -1.50 118.95 121.58 1n6f s ARG 834 Ca 0.15 1.74 -0.00 0.00 -0.13 0.00 0.00 55.73 57.49 1n6f s ARG 834 Cb -0.08 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1n6f s ARG 834 CO 0.07 -0.17 -0.10 0.42 -0.81 0.00 0.00 175.30 174.70 1n6f s ILE 835 N 0.76 1.30 -0.23 4.11 1.01 0.49 1.00 121.20 129.65 1n6f s ILE 835 Ca 0.56 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 1n6f s ILE 835 Cb -0.29 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1n6f s ILE 835 CO 0.31 0.38 0.76 -0.60 0.00 0.00 0.00 174.94 175.78 1n6f s ARG 836 N 1.59 4.19 0.20 2.79 6.06 -0.47 -2.49 118.95 130.82 1n6f s ARG 836 Ca 0.04 0.83 0.10 0.00 -2.50 0.00 0.00 55.73 54.20 1n6f s ARG 836 Cb -0.13 -3.63 -0.04 0.00 0.06 0.00 0.00 34.95 31.21 1n6f s ARG 836 CO -0.09 -0.43 -0.12 -0.51 -2.50 0.00 0.00 175.30 171.65 1n6f s LEU 837 N 2.53 2.88 -0.13 -0.88 1.43 0.91 -1.57 118.68 123.86 1n6f s LEU 837 Ca 0.33 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1n6f s LEU 837 Cb -0.16 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.58 1n6f s LEU 837 CO 0.09 0.09 0.05 -0.44 0.23 0.00 0.00 176.35 176.36 1n6f s SER 838 N -2.98 2.09 0.00 2.29 0.01 -0.24 -0.89 113.70 113.98 1n6f s SER 838 Ca 0.26 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1n6f s SER 838 Cb -0.08 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1n6f s SER 838 CO 0.15 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1n6f n GLY 839 N 5.19 1.73 3.76 3.44 0.00 0.11 -0.24 105.19 119.17 1n6f n GLY 839 Ca -0.07 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1n6f n GLY 839 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n6f s LYS 840 N 2.93 4.38 5.53 1.61 2.47 -1.26 -4.36 119.74 131.04 1n6f s LYS 840 Ca 0.00 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.57 1n6f s LYS 840 Cb 0.00 -3.11 0.00 0.00 -1.46 0.00 0.00 37.83 33.26 1n6f s LYS 840 CO 0.00 -0.18 0.00 0.41 0.16 0.00 0.00 175.35 175.74 1n6f n GLY 841 N 1.25 0.66 1.57 5.54 0.00 -1.26 -3.24 105.19 109.70 1n6f n GLY 841 Ca 0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1n6f n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 842 N 0.00 4.32 3.56 -0.02 0.00 -1.26 -4.94 105.19 106.85 1n6f n GLY 842 Ca 0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1n6f n GLY 842 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n6f s ASP 843 N -1.76 5.03 -0.17 1.61 3.68 -1.20 -4.94 116.67 118.92 1n6f s ASP 843 Ca 0.50 -0.10 -0.06 0.00 2.13 0.00 0.00 52.55 55.01 1n6f s ASP 843 Cb 0.42 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 39.31 1n6f s ASP 843 CO 0.08 -2.71 0.04 -0.54 0.13 0.00 0.00 175.17 172.16 1n6f s LYS 844 N 7.27 3.87 0.04 4.34 -0.14 -1.26 0.06 119.74 133.92 1n6f s LYS 844 Ca 0.73 -0.38 0.06 0.00 -1.36 0.00 0.00 55.97 55.03 1n6f s LYS 844 Cb -0.10 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 1n6f s LYS 844 CO 0.10 0.29 -0.19 1.03 -0.76 0.00 0.00 175.35 175.83 1n6f s ARG 845 N 0.29 1.24 -0.31 1.68 1.81 -0.07 -4.98 118.95 118.62 1n6f s ARG 845 Ca 0.02 -0.88 -0.03 0.00 -1.72 0.00 0.00 55.73 53.13 1n6f s ARG 845 Cb -0.13 -1.32 0.11 0.00 -0.45 0.00 0.00 34.95 33.16 1n6f s ARG 845 CO 0.01 0.33 0.14 0.34 -0.68 0.00 0.00 175.30 175.44 1n6f s ASP 846 N -1.16 3.54 0.21 0.23 3.68 -1.26 -0.06 116.67 121.86 1n6f s ASP 846 Ca 0.06 -1.52 0.10 0.00 2.13 0.00 0.00 52.55 53.32 1n6f s ASP 846 Cb -0.08 -0.46 -0.05 0.00 -1.45 0.00 0.00 42.92 40.88 1n6f s ASP 846 CO 0.02 -0.41 -0.19 -0.76 0.13 0.00 0.00 175.17 173.95 1n6f s LEU 847 N 1.82 2.51 -0.83 -1.34 1.43 -1.04 -4.94 118.68 116.29 1n6f s LEU 847 Ca 0.11 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 52.12 1n6f s LEU 847 Cb -0.17 -0.96 0.21 0.00 0.03 0.00 0.00 46.19 45.29 1n6f s LEU 847 CO -0.28 -0.00 0.80 -0.04 0.23 0.00 0.00 176.35 177.06 1n6f s MET 848 N -3.14 3.59 0.20 1.70 -1.94 -1.26 -0.38 119.30 118.07 1n6f s MET 848 Ca 0.22 -2.36 -0.21 0.00 -1.71 0.00 0.00 55.69 51.64 1n6f s MET 848 Cb -0.05 -4.48 -0.08 0.00 2.01 0.00 0.00 34.83 32.23 1n6f s MET 848 CO 0.10 -1.35 0.72 0.42 -0.01 0.00 0.00 175.02 174.90 1n6f s ILE 849 N 0.51 4.54 -0.22 2.53 -1.09 -0.56 -4.79 121.20 122.12 1n6f s ILE 849 Ca 0.19 1.35 -0.27 0.00 -2.23 0.00 0.00 60.65 59.69 1n6f s ILE 849 Cb -0.10 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1n6f s ILE 849 CO -0.09 0.29 0.96 -1.81 -1.23 0.00 0.00 174.94 173.07 1n6f s ASP 850 N -1.52 7.02 -0.54 3.58 -0.00 -1.26 -1.19 116.67 122.75 1n6f s ASP 850 Ca 0.40 1.27 -0.23 0.00 -0.00 0.00 0.00 52.55 54.00 1n6f s ASP 850 Cb -0.18 -2.50 0.05 0.00 -0.00 0.00 0.00 42.92 40.28 1n6f s ASP 850 CO 0.22 -0.59 0.86 -0.63 -0.00 0.00 0.00 175.17 175.02 1n6f s ILE 851 N 2.95 4.52 0.60 0.77 -1.09 0.57 -4.80 121.20 124.72 1n6f s ILE 851 Ca 0.41 0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.70 1n6f s ILE 851 Cb -0.15 -4.48 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1n6f s ILE 851 CO 0.08 -1.05 1.08 -0.76 -1.23 0.00 0.00 174.94 173.05 1n6f s LEU 852 N 3.59 3.50 0.36 2.97 1.43 0.62 -0.77 118.68 130.37 1n6f s LEU 852 Ca 0.26 1.90 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 1n6f s LEU 852 Cb -0.15 -4.54 0.22 0.00 0.03 0.00 0.00 46.19 41.75 1n6f s LEU 852 CO 0.17 -1.29 1.44 0.44 0.23 0.00 0.00 176.35 177.33 1n6f h ASP 853 N 0.43 0.00 -4.93 2.29 5.19 -1.82 0.26 116.42 117.84 1n6f h ASP 853 Ca -0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1n6f h ASP 853 Cb 1.23 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.55 1n6f h ASP 853 CO 0.56 0.07 0.13 -0.62 -3.12 0.00 0.00 179.24 176.26 1n6f s ASP 854 N -6.03 -0.61 -0.02 6.45 2.15 -1.26 -4.52 116.67 112.83 1n6f s ASP 854 Ca 0.05 0.69 0.25 0.00 0.43 0.00 0.00 52.55 53.96 1n6f s ASP 854 Cb 0.06 0.57 0.43 0.00 -0.30 0.00 0.00 42.92 43.68 1n6f s ASP 854 CO 0.71 -0.57 1.16 -0.90 -0.17 0.00 0.00 175.17 175.41 1n6f n ASP 855 N 1.07 1.00 0.00 -0.34 3.85 -1.26 -4.90 116.55 115.98 1n6f n ASP 855 Ca -0.19 -2.00 -0.12 0.00 -0.71 0.00 0.00 54.79 51.76 1n6f n ASP 855 Cb 0.57 -0.30 -0.08 0.00 -1.35 0.00 0.00 41.12 39.95 1n6f n ASP 855 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1n6f h ARG 856 N 1.12 0.03 -0.83 0.11 9.65 -1.91 -1.87 114.38 120.68 1n6f h ARG 856 Ca -0.23 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.65 1n6f h ARG 856 Cb 1.83 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.37 1n6f h ARG 856 CO 0.10 0.31 0.55 0.35 2.80 0.00 0.00 179.97 184.07 1n6f h PHE 857 N -0.25 1.04 0.17 2.20 3.57 -1.91 0.23 116.94 121.98 1n6f h PHE 857 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1n6f h PHE 857 Cb 0.29 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1n6f h PHE 857 CO 0.02 0.65 -0.08 0.82 -2.23 0.00 0.00 178.31 177.49 1n6f h ILE 858 N 1.11 0.84 -0.74 1.41 2.04 -1.72 0.54 117.51 121.00 1n6f h ILE 858 Ca 0.31 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.25 1n6f h ILE 858 Cb -0.11 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 1n6f h ILE 858 CO -0.07 0.01 0.34 0.03 0.00 0.00 0.00 178.15 178.45 1n6f h ARG 859 N -0.24 0.53 0.38 2.37 3.08 -0.49 -1.12 114.38 118.90 1n6f h ARG 859 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1n6f h ARG 859 Cb 0.18 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1n6f h ARG 859 CO 0.04 0.35 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.16 1n6f h TYR 860 N 0.54 -0.55 -0.54 3.04 3.20 0.25 -1.25 116.97 121.66 1n6f h TYR 860 Ca 0.38 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1n6f h TYR 860 Cb 0.48 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1n6f h TYR 860 CO -0.13 -0.33 0.29 0.00 -1.64 0.00 0.00 178.16 176.35 1n6f h ARG 861 N -0.55 0.74 -0.29 1.82 2.47 -0.47 -0.97 114.38 117.12 1n6f h ARG 861 Ca -0.05 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1n6f h ARG 861 Cb 0.44 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1n6f h ARG 861 CO 0.06 0.55 0.19 1.03 0.56 0.00 0.00 179.97 182.36 1n6f h SER 862 N 0.75 0.34 -0.59 7.04 0.87 -1.01 0.53 113.55 121.48 1n6f h SER 862 Ca 0.19 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1n6f h SER 862 Cb 0.03 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1n6f h SER 862 CO -0.03 0.25 0.38 -0.25 -0.53 0.00 0.00 176.83 176.65 1n6f h TRP 863 N 0.40 0.71 0.26 2.24 7.01 -0.40 0.16 115.95 126.32 1n6f h TRP 863 Ca 0.11 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1n6f h TRP 863 Cb -0.04 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1n6f h TRP 863 CO -0.06 0.43 -0.12 0.28 -2.79 0.00 0.00 178.44 176.18 1n6f h VAL 864 N 0.76 0.80 -0.19 2.65 2.07 -0.84 -1.00 116.25 120.50 1n6f h VAL 864 Ca 0.23 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1n6f h VAL 864 Cb -0.03 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1n6f h VAL 864 CO -0.07 0.10 0.14 -0.33 0.02 0.00 0.00 177.57 177.42 1n6f h GLU 865 N -0.58 0.00 0.02 1.57 4.39 -0.68 0.75 114.58 120.06 1n6f h GLU 865 Ca -0.04 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1n6f h GLU 865 Cb 0.42 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1n6f h GLU 865 CO 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.90 1n6f h ALA 866 N 1.91 -0.03 -0.53 3.43 0.00 -0.37 -1.18 119.26 122.50 1n6f h ALA 866 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n6f h ALA 866 Cb 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1n6f h ALA 866 CO -0.00 -0.33 0.24 -0.91 0.00 0.00 0.00 179.25 178.25 1n6f h ASN 867 N -0.40 0.67 0.13 0.00 -0.26 -0.02 -0.80 115.58 114.90 1n6f h ASN 867 Ca -0.00 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1n6f h ASN 867 Cb 0.38 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1n6f h ASN 867 CO 0.00 0.58 -0.06 -0.09 -1.06 0.00 0.00 177.43 176.80 1n6f h ARG 868 N 0.74 -0.17 -0.23 0.81 2.43 -0.80 0.13 114.38 117.29 1n6f h ARG 868 Ca 0.18 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1n6f h ARG 868 Cb 0.10 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1n6f h ARG 868 CO -0.02 -0.08 0.14 0.00 -1.51 0.00 0.00 179.97 178.49 1n6f h ARG 869 N -0.22 0.28 -0.12 0.20 3.08 -0.74 -1.45 114.38 115.40 1n6f h ARG 869 Ca -0.02 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1n6f h ARG 869 Cb 0.17 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1n6f h ARG 869 CO 0.03 0.18 -0.22 -0.92 -1.07 0.00 0.00 179.97 177.97 1n6f h TYR 870 N 0.28 -0.59 -0.86 3.04 3.20 -0.93 -0.56 116.97 120.56 1n6f h TYR 870 Ca 0.09 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1n6f h TYR 870 Cb -0.01 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1n6f h TYR 870 CO -0.07 -0.30 0.56 0.28 -1.64 0.00 0.00 178.16 176.98 1n6f h VAL 871 N -0.29 1.15 0.25 1.81 2.07 -0.80 -0.14 116.25 120.30 1n6f h VAL 871 Ca 0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1n6f h VAL 871 Cb 0.43 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1n6f h VAL 871 CO -0.29 0.20 -0.12 0.45 0.02 0.00 0.00 177.57 177.83 1n6f h HIS 872 N 1.09 -0.31 -0.04 1.57 3.86 -0.65 -1.99 115.15 118.69 1n6f h HIS 872 Ca 0.34 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1n6f h HIS 872 Cb -0.02 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1n6f h HIS 872 CO -0.02 -0.11 -0.04 0.93 0.86 0.00 0.00 177.93 179.55 1n6f h GLU 873 N -0.44 -0.05 -0.30 2.45 5.08 -0.74 0.30 114.58 120.87 1n6f h GLU 873 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1n6f h GLU 873 Cb 0.33 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1n6f h GLU 873 CO 0.06 -0.03 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.80 1n6f h ARG 874 N -0.05 0.53 -0.43 2.33 2.43 -1.07 -1.97 114.38 116.15 1n6f h ARG 874 Ca 0.03 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1n6f h ARG 874 Cb 0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1n6f h ARG 874 CO -0.07 0.66 0.00 -1.13 -1.51 0.00 0.00 179.97 177.92 1n6f n SER 875 N -4.18 1.75 -3.18 -3.80 3.41 -0.75 -4.87 113.62 102.00 1n6f n SER 875 Ca 0.01 -2.09 -0.23 0.00 -0.26 0.00 0.00 58.87 56.29 1n6f n SER 875 Cb 0.34 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1n6f n SER 875 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n6f n LYS 876 N 0.25 -4.46 -1.95 4.33 4.76 -0.74 -1.67 118.16 118.67 1n6f n LYS 876 Ca 0.09 0.74 -0.08 0.00 -2.87 0.00 0.00 58.31 56.19 1n6f n LYS 876 Cb 0.32 -5.56 -0.01 0.00 -1.84 0.00 0.00 35.03 27.95 1n6f n LYS 876 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n6f n GLY 877 N -1.41 0.24 0.19 0.72 0.00 0.10 -4.93 105.19 100.10 1n6f n GLY 877 Ca -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.38 1n6f n GLY 877 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n6f n THR 878 N -3.75 0.09 -4.33 2.61 -2.24 -0.67 -4.88 114.28 101.10 1n6f n THR 878 Ca -0.09 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 60.95 1n6f n THR 878 Cb 0.50 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.62 1n6f n THR 878 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1n6f s ILE 879 N -0.43 0.70 0.39 2.28 1.01 -1.26 -0.96 121.20 122.93 1n6f s ILE 879 Ca 0.06 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1n6f s ILE 879 Cb 0.04 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1n6f s ILE 879 CO 0.06 0.23 0.57 -0.83 0.00 0.00 0.00 174.94 174.96 1n6f s GLY 880 N 0.25 1.57 -0.00 6.18 0.00 0.16 -4.23 107.32 111.25 1n6f s GLY 880 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1n6f s GLY 880 CO 0.00 -1.12 -0.02 -0.47 0.00 0.00 0.00 173.10 171.49 1n6f s TYR 881 N -2.37 0.14 -0.03 1.90 5.04 -1.26 -1.30 117.35 119.48 1n6f s TYR 881 Ca 0.46 -0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 54.98 1n6f s TYR 881 Cb -0.10 -0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.13 1n6f s TYR 881 CO 0.34 -0.01 0.18 0.42 -1.34 0.00 0.00 175.55 175.15 1n6f s ILE 882 N -0.07 0.05 -0.05 3.14 1.01 -0.76 -4.86 121.20 119.66 1n6f s ILE 882 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1n6f s ILE 882 Cb -0.01 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1n6f s ILE 882 CO -0.00 -0.24 -0.04 -2.28 0.00 0.00 0.00 174.94 172.38 1n6f s HIS 883 N -0.87 0.76 -0.50 3.97 2.46 -1.26 -0.99 115.29 118.86 1n6f s HIS 883 Ca -0.10 -0.22 -0.13 0.00 0.47 0.00 0.00 55.06 55.09 1n6f s HIS 883 Cb -0.05 -0.69 0.12 0.00 -0.13 0.00 0.00 32.58 31.83 1n6f s HIS 883 CO 0.01 -0.20 0.42 0.42 -2.47 0.00 0.00 174.74 172.92 1n6f s ILE 884 N 0.98 4.78 0.36 0.89 1.01 -0.66 -4.43 121.20 124.14 1n6f s ILE 884 Ca -0.10 -1.56 0.03 0.00 0.00 0.00 0.00 60.65 59.02 1n6f s ILE 884 Cb -0.14 -4.07 0.26 0.00 0.01 0.00 0.00 42.46 38.52 1n6f s ILE 884 CO -0.00 -0.79 2.01 1.55 0.00 0.00 0.00 174.94 177.71 1n6f h PRO 885 N 8.69 0.75 0.00 2.79 0.13 -1.88 -3.40 132.00 139.08 1n6f h PRO 885 Ca -0.26 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1n6f h PRO 885 Cb 1.09 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1n6f h PRO 885 CO 0.94 0.51 0.07 -0.40 -0.23 0.00 0.00 178.00 178.90 1n6f n ASP 886 N -4.44 -0.56 -1.80 1.44 3.85 -1.26 -2.18 116.55 111.60 1n6f n ASP 886 Ca 0.05 -1.38 -0.20 0.00 -0.71 0.00 0.00 54.79 52.55 1n6f n ASP 886 Cb 0.06 0.94 0.08 0.00 -1.35 0.00 0.00 41.12 40.84 1n6f n ASP 886 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 1n6f n MET 887 N -0.14 2.95 0.00 0.11 2.81 0.73 -3.88 117.12 119.70 1n6f n MET 887 Ca -0.02 -3.76 0.00 0.00 -1.81 0.00 0.00 57.70 52.11 1n6f n MET 887 Cb 0.15 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1n6f n MET 887 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n6f n GLY 888 N -0.86 4.66 0.29 3.03 0.00 -1.20 0.21 105.19 111.31 1n6f n GLY 888 Ca 0.43 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1n6f n GLY 888 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n6f h MET 889 N 0.00 1.01 -0.75 1.61 2.86 -1.94 -2.68 114.93 115.04 1n6f h MET 889 Ca 0.00 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 1n6f h MET 889 Cb 0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1n6f h MET 889 CO 0.00 1.09 0.41 1.98 1.06 0.00 0.00 176.91 181.45 1n6f h MET 890 N 0.88 1.04 -0.75 1.72 -1.53 -1.95 -1.22 114.93 113.12 1n6f h MET 890 Ca 0.12 -0.11 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1n6f h MET 890 Cb 0.76 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 31.57 1n6f h MET 890 CO 0.06 0.76 0.38 0.78 0.14 0.00 0.00 176.91 179.03 1n6f h GLY 891 N 1.08 1.13 0.98 1.39 0.00 -1.62 0.57 103.07 106.61 1n6f h GLY 891 Ca 0.26 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1n6f h GLY 891 CO -0.04 0.52 0.27 1.41 0.00 0.00 0.00 176.54 178.69 1n6f h LEU 892 N 1.04 0.57 0.56 3.11 4.07 -1.10 0.13 115.31 123.69 1n6f h LEU 892 Ca 0.26 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 1n6f h LEU 892 Cb 0.08 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.68 1n6f h LEU 892 CO -0.04 0.48 -0.27 0.78 -1.08 0.00 0.00 178.44 178.31 1n6f h ASN 893 N 0.62 -0.64 -0.40 -0.43 2.35 -0.41 -2.27 115.58 114.40 1n6f h ASN 893 Ca 0.17 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1n6f h ASN 893 Cb 0.02 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1n6f h ASN 893 CO -0.03 -0.41 0.13 -0.33 -1.65 0.00 0.00 177.43 175.14 1n6f h GLU 894 N -0.81 0.69 0.33 0.81 4.39 -0.84 0.13 114.58 119.28 1n6f h GLU 894 Ca -0.08 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1n6f h GLU 894 Cb 0.60 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1n6f h GLU 894 CO 0.13 0.61 -0.16 0.35 -1.16 0.00 0.00 179.01 178.78 1n6f h PHE 895 N 0.67 -0.42 0.00 4.33 3.04 -0.69 -3.07 116.94 120.81 1n6f h PHE 895 Ca 0.16 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.02 1n6f h PHE 895 Cb 0.23 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1n6f h PHE 895 CO 0.01 -0.09 -0.37 1.88 -2.02 0.00 0.00 178.31 177.72 1n6f h TYR 896 N -0.76 0.00 -0.84 0.41 -1.99 -1.34 0.91 116.97 113.36 1n6f h TYR 896 Ca -0.05 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.88 1n6f h TYR 896 Cb 0.51 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.18 1n6f h TYR 896 CO 0.02 0.37 0.57 -0.09 -0.00 0.00 0.00 178.16 179.03 1n6f h ARG 897 N 0.00 0.31 0.00 4.88 2.43 -0.64 -2.99 114.38 118.37 1n6f h ARG 897 Ca -0.00 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1n6f h ARG 897 Cb 0.78 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1n6f h ARG 897 CO 0.05 0.21 -1.82 1.28 -1.51 0.00 0.00 179.97 178.17 1n6f n LEU 898 N -4.46 1.41 -0.34 3.80 4.32 -1.10 -4.57 117.00 116.06 1n6f n LEU 898 Ca 0.17 -0.04 0.23 0.00 -0.02 0.00 0.00 56.01 56.36 1n6f n LEU 898 Cb 0.69 -0.10 0.50 0.00 -1.62 0.00 0.00 43.42 42.89 1n6f n LEU 898 CO 0.33 0.51 1.20 0.15 -1.22 0.00 0.00 177.39 178.36 1n6f h PHE 899 N 0.00 0.73 0.00 -1.77 3.57 -0.70 0.57 116.94 119.34 1n6f h PHE 899 Ca -0.32 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1n6f h PHE 899 Cb 1.62 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1n6f h PHE 899 CO 0.01 0.02 0.00 0.44 -2.23 0.00 0.00 178.31 176.55 1n6f n ILE 900 N -4.71 0.95 0.00 1.41 -5.35 -1.14 -2.36 119.36 108.17 1n6f n ILE 900 Ca 0.27 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.99 1n6f n ILE 900 Cb 0.92 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1n6f n ILE 900 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1n6f n ASN 901 N -1.45 1.19 -0.00 7.28 3.02 0.18 -4.77 115.26 120.71 1n6f n ASN 901 Ca 0.04 -0.27 0.04 0.00 -0.03 0.00 0.00 54.58 54.36 1n6f n ASN 901 Cb 0.15 0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 40.05 1n6f n ASN 901 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n6f n GLU 902 N -0.90 4.36 0.28 3.52 -0.58 -0.27 -4.65 120.64 122.40 1n6f n GLU 902 Ca 0.00 -0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.91 1n6f n GLU 902 Cb 0.00 -0.88 0.77 0.00 -0.57 0.00 0.00 31.44 30.77 1n6f n GLU 902 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1n6f h SER 903 N 0.00 0.00 -0.82 1.62 4.64 -1.68 -3.25 113.55 114.06 1n6f h SER 903 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1n6f h SER 903 Cb 0.19 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.09 1n6f h SER 903 CO 0.00 0.05 0.39 -1.20 -0.87 0.00 0.00 176.83 175.20 1n6f n SER 904 N -3.22 4.45 -4.97 4.97 7.64 -1.26 -1.23 113.62 120.00 1n6f n SER 904 Ca -0.01 -3.36 -0.21 0.00 1.01 0.00 0.00 58.87 56.30 1n6f n SER 904 Cb 0.26 -0.78 0.04 0.00 -1.01 0.00 0.00 64.21 62.72 1n6f n SER 904 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1n6f s TYR 905 N -3.10 2.82 0.33 1.43 1.51 -1.23 -4.88 117.35 114.22 1n6f s TYR 905 Ca 0.56 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 1n6f s TYR 905 Cb 0.45 -2.74 0.56 0.00 -0.11 0.00 0.00 41.96 40.13 1n6f s TYR 905 CO 0.12 -0.87 1.98 1.96 -1.11 0.00 0.00 175.55 177.63 1n6f h GLN 906 N 0.09 0.94 -4.89 -0.62 4.20 -1.76 -3.27 115.11 109.80 1n6f h GLN 906 Ca -0.42 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 57.94 1n6f h GLN 906 Cb 1.30 -0.21 -0.15 0.00 0.30 0.00 0.00 27.48 28.72 1n6f h GLN 906 CO 0.51 0.62 -0.69 0.20 -0.67 0.00 0.00 178.83 178.81 1n6f s GLY 907 N -3.40 1.10 -0.01 3.46 0.00 -0.14 -2.26 107.32 106.08 1n6f s GLY 907 Ca -0.11 -1.52 -0.00 0.00 0.00 0.00 0.00 44.72 43.09 1n6f s GLY 907 CO 0.78 -1.55 0.01 -2.27 0.00 0.00 0.00 173.10 170.07 1n6f s LEU 908 N -3.16 1.71 -0.23 0.66 2.96 0.13 0.37 118.68 121.11 1n6f s LEU 908 Ca 0.19 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1n6f s LEU 908 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 46.19 46.72 1n6f s LEU 908 CO 0.01 -0.04 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.36 1n6f s ILE 909 N 0.32 3.57 -0.51 6.68 1.01 -0.42 -0.60 121.20 131.26 1n6f s ILE 909 Ca -0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1n6f s ILE 909 Cb -0.04 -2.66 0.12 0.00 0.01 0.00 0.00 42.46 39.89 1n6f s ILE 909 CO -0.01 0.37 0.44 -0.69 0.00 0.00 0.00 174.94 175.05 1n6f s VAL 910 N 1.50 4.92 -0.34 2.92 1.01 0.79 -1.84 120.40 129.37 1n6f s VAL 910 Ca 0.05 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.30 1n6f s VAL 910 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1n6f s VAL 910 CO -0.02 -0.79 0.74 -0.62 0.00 0.00 0.00 175.10 174.41 1n6f s ASP 911 N 3.17 6.56 -0.18 3.32 3.68 -0.16 -1.86 116.67 131.20 1n6f s ASP 911 Ca 0.04 0.42 0.16 0.00 2.13 0.00 0.00 52.55 55.30 1n6f s ASP 911 Cb -0.28 -2.38 0.40 0.00 -1.45 0.00 0.00 42.92 39.21 1n6f s ASP 911 CO 0.02 -0.64 1.28 1.33 0.13 0.00 0.00 175.17 177.29 1n6f n VAL 912 N 5.63 2.13 -1.86 1.11 0.24 0.44 -1.65 118.33 124.38 1n6f n VAL 912 Ca 0.02 -2.37 -0.41 0.00 -2.04 0.00 0.00 64.34 59.54 1n6f n VAL 912 Cb 0.48 -0.26 -0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1n6f n VAL 912 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1n6f s ARG 913 N -2.97 4.11 -0.55 7.34 0.52 -1.22 -2.03 118.95 124.14 1n6f s ARG 913 Ca 0.37 2.50 0.00 0.00 -0.52 0.00 0.00 55.73 58.08 1n6f s ARG 913 Cb 0.33 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1n6f s ARG 913 CO 0.03 -0.50 0.00 1.19 0.02 0.00 0.00 175.30 176.03 1n6f n PHE 914 N 0.45 0.00 -2.11 -0.53 3.01 -1.25 -4.85 117.46 112.18 1n6f n PHE 914 Ca 0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.04 1n6f n PHE 914 Cb 0.40 -1.52 -0.02 0.00 -0.01 0.00 0.00 39.48 38.32 1n6f n PHE 914 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1n6f s ASN 915 N -2.42 6.05 0.00 4.37 3.84 -0.86 -4.76 114.94 121.16 1n6f s ASN 915 Ca 0.00 1.19 0.05 0.00 0.21 0.00 0.00 52.86 54.31 1n6f s ASN 915 Cb 0.00 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.48 1n6f s ASN 915 CO 0.00 -1.60 0.84 0.61 -2.79 0.00 0.00 177.10 174.16 1n6f n GLY 916 N 5.28 -0.59 6.39 1.21 0.00 -0.93 -1.59 105.19 114.98 1n6f n GLY 916 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n6f n GLY 916 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 917 N 0.11 -1.66 0.00 -0.02 0.00 -1.17 -4.80 105.19 97.65 1n6f n GLY 917 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1n6f n GLY 917 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 918 N 0.00 0.44 0.00 -0.02 0.00 -1.26 0.26 105.19 104.62 1n6f n GLY 918 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1n6f n GLY 918 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1n6f n PHE 919 N 0.00 0.00 -0.45 1.61 -1.74 0.13 -4.50 117.46 112.51 1n6f n PHE 919 Ca 0.00 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.99 1n6f n PHE 919 Cb 0.00 0.11 0.31 0.00 1.52 0.00 0.00 39.48 41.42 1n6f n PHE 919 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1n6f n VAL 920 N 0.00 1.32 -0.24 1.97 0.24 -0.58 -4.52 118.33 116.52 1n6f n VAL 920 Ca 0.00 -1.09 0.02 0.00 -2.04 0.00 0.00 64.34 61.23 1n6f n VAL 920 Cb 0.33 0.36 0.15 0.00 -1.47 0.00 0.00 33.84 33.21 1n6f n VAL 920 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1n6f h SER 921 N 3.88 0.34 -0.52 -1.34 4.64 -1.87 0.97 113.55 119.65 1n6f h SER 921 Ca 0.00 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1n6f h SER 921 Cb 1.13 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1n6f h SER 921 CO 0.08 0.18 0.35 0.06 -0.87 0.00 0.00 176.83 176.63 1n6f h GLN 922 N 0.50 0.57 -0.10 4.77 3.07 -1.95 0.23 115.11 122.19 1n6f h GLN 922 Ca 0.36 -0.03 -0.11 0.00 0.09 0.00 0.00 58.65 58.95 1n6f h GLN 922 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 1n6f h GLN 922 CO -0.32 0.38 -0.45 -0.07 0.09 0.00 0.00 178.83 178.46 1n6f h LEU 923 N 0.59 0.26 -0.04 0.06 3.38 -1.15 -1.99 115.31 116.43 1n6f h LEU 923 Ca 0.21 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1n6f h LEU 923 Cb 0.10 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1n6f h LEU 923 CO -0.05 0.67 -0.64 0.40 0.09 0.00 0.00 178.44 178.91 1n6f h ILE 924 N 0.20 1.38 -0.67 1.22 1.08 -0.36 -3.09 117.51 117.27 1n6f h ILE 924 Ca 0.01 -2.02 0.03 0.00 -0.39 0.00 0.00 64.86 62.49 1n6f h ILE 924 Cb 0.87 2.42 -0.04 0.00 -3.07 0.00 0.00 36.82 37.00 1n6f h ILE 924 CO 0.07 0.60 0.42 0.40 -0.69 0.00 0.00 178.15 178.95 1n6f h ILE 925 N 0.06 1.10 -0.67 -0.67 1.08 -0.59 -2.12 117.51 115.70 1n6f h ILE 925 Ca -0.07 -0.28 0.13 0.00 -0.39 0.00 0.00 64.86 64.25 1n6f h ILE 925 Cb 1.32 0.20 -0.10 0.00 -3.07 0.00 0.00 36.82 35.17 1n6f h ILE 925 CO 0.13 0.15 0.14 -0.08 -0.69 0.00 0.00 178.15 177.80 1n6f h GLU 926 N 0.83 0.25 -0.10 2.37 4.81 -1.34 0.53 114.58 121.92 1n6f h GLU 926 Ca 0.27 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1n6f h GLU 926 Cb 0.00 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1n6f h GLU 926 CO -0.10 0.16 -0.03 0.87 -0.73 0.00 0.00 179.01 179.19 1n6f h LYS 927 N 0.25 0.19 0.00 1.92 6.56 -1.35 -2.92 116.57 121.23 1n6f h LYS 927 Ca 0.36 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.86 1n6f h LYS 927 Cb 0.58 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1n6f h LYS 927 CO -0.46 0.51 -0.08 -0.07 -2.06 0.00 0.00 179.45 177.29 1n6f h LEU 928 N -0.14 0.00 -0.70 2.94 3.38 -0.69 -2.69 115.31 117.42 1n6f h LEU 928 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1n6f h LEU 928 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1n6f h LEU 928 CO 0.01 0.08 -0.34 0.24 0.09 0.00 0.00 178.44 178.52 1n6f h MET 929 N 0.00 0.62 -6.26 1.13 2.86 0.21 -3.45 114.93 110.04 1n6f h MET 929 Ca -0.00 -0.29 -0.68 0.00 -2.06 0.00 0.00 59.70 56.67 1n6f h MET 929 Cb 0.31 -0.01 0.05 0.00 0.06 0.00 0.00 31.60 32.01 1n6f h MET 929 CO 0.01 0.87 0.52 0.09 1.06 0.00 0.00 176.91 179.46 1n6f n ASN 930 N -4.06 1.77 -4.52 1.22 5.03 -1.01 -4.97 115.26 108.71 1n6f n ASN 930 Ca -0.01 1.11 -0.35 0.00 0.87 0.00 0.00 54.58 56.20 1n6f n ASN 930 Cb 0.49 -1.19 -0.12 0.00 -1.02 0.00 0.00 39.78 37.94 1n6f n ASN 930 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1n6f s LYS 931 N 0.88 3.77 -0.29 3.52 2.20 -1.26 -4.11 119.74 124.45 1n6f s LYS 931 Ca 0.86 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 55.74 1n6f s LYS 931 Cb -0.96 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.13 1n6f s LYS 931 CO 0.49 0.05 1.50 0.50 -0.36 0.00 0.00 175.35 177.53 1n6f s ARG 932 N 0.96 3.74 0.00 4.03 3.52 -1.26 -4.41 118.95 125.53 1n6f s ARG 932 Ca 0.03 1.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1n6f s ARG 932 Cb -0.14 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 1n6f s ARG 932 CO 0.03 -1.35 0.75 0.44 -0.81 0.00 0.00 175.30 174.35 1n6f n ILE 933 N 6.58 0.55 -3.80 4.11 -5.35 -0.62 -4.98 119.36 115.85 1n6f n ILE 933 Ca 0.18 -0.69 -0.03 0.00 -0.27 0.00 0.00 62.75 61.93 1n6f n ILE 933 Cb 0.46 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 1n6f n ILE 933 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1n6f s GLY 934 N -0.55 -0.07 0.10 3.28 0.00 -1.08 -5.04 107.32 103.97 1n6f s GLY 934 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 1n6f s GLY 934 CO 0.00 0.93 0.13 -0.19 0.00 0.00 0.00 173.10 173.96 1n6f s TYR 935 N -2.77 0.42 -0.17 1.90 1.51 -1.26 -1.08 117.35 115.90 1n6f s TYR 935 Ca 0.16 -0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 55.34 1n6f s TYR 935 Cb -0.02 -0.22 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1n6f s TYR 935 CO 0.04 -0.53 -0.07 0.34 -1.11 0.00 0.00 175.55 174.21 1n6f s ASP 936 N -2.93 4.35 -0.41 2.29 3.68 0.19 -4.93 116.67 118.91 1n6f s ASP 936 Ca 0.11 -0.28 -0.10 0.00 2.13 0.00 0.00 52.55 54.41 1n6f s ASP 936 Cb 0.06 -1.71 0.06 0.00 -1.45 0.00 0.00 42.92 39.89 1n6f s ASP 936 CO -0.06 0.11 0.26 0.20 0.13 0.00 0.00 175.17 175.80 1n6f s ASN 937 N 0.71 5.71 0.22 -0.34 -0.87 -1.26 -2.56 114.94 116.55 1n6f s ASN 937 Ca -0.03 -1.35 -0.12 0.00 -1.57 0.00 0.00 52.86 49.78 1n6f s ASN 937 Cb -0.15 -2.02 -0.07 0.00 -0.02 0.00 0.00 41.25 38.99 1n6f s ASN 937 CO 0.02 -0.51 0.59 -2.16 -2.57 0.00 0.00 177.10 172.47 1n6f s PRO 938 N 1.48 3.91 0.18 -0.60 0.04 -1.26 -4.96 135.00 133.79 1n6f s PRO 938 Ca 0.03 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.38 1n6f s PRO 938 Cb -0.22 -2.71 0.18 0.00 0.04 0.00 0.00 34.50 31.79 1n6f s PRO 938 CO 0.04 0.34 1.72 -0.09 0.04 0.00 0.00 177.00 179.05 1n6f h ARG 939 N 2.86 0.24 -4.48 4.56 9.65 -1.98 -3.39 114.38 121.83 1n6f h ARG 939 Ca -0.48 -0.01 -0.52 0.00 -1.10 0.00 0.00 59.98 57.87 1n6f h ARG 939 Cb 1.18 -0.05 -0.34 0.00 -1.39 0.00 0.00 29.97 29.36 1n6f h ARG 939 CO 0.67 0.16 -0.81 -0.98 2.80 0.00 0.00 179.97 181.81 1n6f s ARG 940 N -6.14 1.67 0.00 0.20 1.70 -1.26 -5.07 118.95 110.05 1n6f s ARG 940 Ca -0.13 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1n6f s ARG 940 Cb 0.15 -1.45 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 1n6f s ARG 940 CO 0.73 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 175.32 1n6f n GLY 941 N 4.06 0.56 3.86 3.88 0.00 -1.26 -5.10 105.19 111.19 1n6f n GLY 941 Ca -0.21 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.46 1n6f n GLY 941 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n6f s THR 942 N -0.85 2.90 0.66 2.61 -4.23 -1.26 -4.81 115.64 110.66 1n6f s THR 942 Ca 0.00 -1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 58.96 1n6f s THR 942 Cb 0.00 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 1n6f s THR 942 CO 0.00 -0.05 1.12 0.18 -0.54 0.00 0.00 174.62 175.33 1n6f n LEU 943 N -1.47 4.77 -3.94 4.79 4.77 -1.26 -4.65 117.00 120.01 1n6f n LEU 943 Ca 0.02 0.77 -0.29 0.00 -0.03 0.00 0.00 56.01 56.48 1n6f n LEU 943 Cb 0.61 -1.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.07 1n6f n LEU 943 CO 0.43 -1.51 -0.44 -0.55 -1.33 0.00 0.00 177.39 173.98 1n6f s SER 944 N -1.45 3.05 0.50 -1.43 0.15 -1.06 -4.93 113.70 108.53 1n6f s SER 944 Ca 0.79 -0.75 -0.22 0.00 0.70 0.00 0.00 55.95 56.47 1n6f s SER 944 Cb -0.38 -1.05 -0.06 0.00 -1.71 0.00 0.00 66.02 62.82 1n6f s SER 944 CO 0.45 -0.16 1.19 -2.16 1.20 0.00 0.00 173.24 173.75 1n6f s PRO 945 N 1.53 3.51 -0.19 5.44 0.04 -1.26 -0.64 135.00 143.43 1n6f s PRO 945 Ca 0.00 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1n6f s PRO 945 Cb -0.16 -2.26 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1n6f s PRO 945 CO -0.08 -0.77 -0.09 -0.47 0.04 0.00 0.00 177.00 175.63 1n6f s TYR 946 N -1.55 2.27 0.88 0.56 5.04 -0.24 -2.95 117.35 121.35 1n6f s TYR 946 Ca 0.68 -1.49 -0.12 0.00 -2.44 0.00 0.00 57.07 53.70 1n6f s TYR 946 Cb -0.30 -1.57 0.12 0.00 0.35 0.00 0.00 41.96 40.56 1n6f s TYR 946 CO 0.35 -0.72 1.10 -2.14 -1.34 0.00 0.00 175.55 172.80 1n6f s PRO 947 N 1.44 1.43 0.07 4.97 0.02 -1.26 -1.59 135.00 140.08 1n6f s PRO 947 Ca -0.01 0.61 -0.18 0.00 0.02 0.00 0.00 61.00 61.44 1n6f s PRO 947 Cb -0.16 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 1n6f s PRO 947 CO -0.08 -2.07 1.41 1.15 -0.33 0.00 0.00 177.00 177.08 1n6f h THR 948 N -1.41 1.31 -1.02 0.99 2.02 -1.93 -3.17 112.91 109.69 1n6f h THR 948 Ca -0.49 -1.25 -0.56 0.00 0.77 0.00 0.00 66.41 64.87 1n6f h THR 948 Cb 1.29 1.66 -0.15 0.00 -1.74 0.00 0.00 68.15 69.22 1n6f h THR 948 CO 0.58 0.38 1.07 0.59 0.37 0.00 0.00 175.52 178.51 1n6f n ASN 949 N -4.49 6.96 -4.37 4.18 4.13 -1.26 -4.90 115.26 115.50 1n6f n ASN 949 Ca -0.05 -3.14 -0.32 0.00 1.68 0.00 0.00 54.58 52.76 1n6f n ASN 949 Cb 0.36 -1.29 -0.15 0.00 -1.54 0.00 0.00 39.78 37.16 1n6f n ASN 949 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1n6f s SER 950 N 0.48 3.57 0.23 6.41 1.04 -1.20 -4.73 113.70 119.50 1n6f s SER 950 Ca 0.58 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 56.36 1n6f s SER 950 Cb 0.31 -0.84 -0.09 0.00 0.10 0.00 0.00 66.02 65.50 1n6f s SER 950 CO -0.17 0.29 1.12 -0.69 0.98 0.00 0.00 173.24 174.78 1n6f s VAL 951 N -0.42 3.61 0.04 5.02 1.01 -1.26 -4.76 120.40 123.65 1n6f s VAL 951 Ca 0.04 1.48 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 1n6f s VAL 951 Cb -0.12 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 1n6f s VAL 951 CO 0.02 0.30 1.33 -0.09 0.00 0.00 0.00 175.10 176.66 1n6f h ARG 952 N 4.55 0.40 0.00 2.72 2.43 -1.38 -3.40 114.38 119.69 1n6f h ARG 952 Ca -0.45 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1n6f h ARG 952 Cb 1.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1n6f h ARG 952 CO 0.70 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 180.37 1n6f n GLY 953 N 0.26 4.00 3.76 2.80 0.00 -1.23 -4.95 105.19 109.83 1n6f n GLY 953 Ca -0.06 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1n6f n GLY 953 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 954 N 4.39 4.71 -0.03 1.61 -0.14 -0.96 -4.89 119.74 124.44 1n6f s LYS 954 Ca 0.00 1.51 0.07 0.00 -1.36 0.00 0.00 55.97 56.19 1n6f s LYS 954 Cb 0.00 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 1n6f s LYS 954 CO 0.00 0.37 -0.26 0.42 -0.76 0.00 0.00 175.35 175.12 1n6f s ILE 955 N -1.31 2.04 -0.01 2.17 1.01 -1.26 0.18 121.20 124.01 1n6f s ILE 955 Ca 0.45 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1n6f s ILE 955 Cb -0.25 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1n6f s ILE 955 CO 0.31 0.57 -0.12 -0.51 0.00 0.00 0.00 174.94 175.20 1n6f s ILE 956 N -0.44 0.95 -0.11 2.92 2.07 0.23 -3.89 121.20 122.92 1n6f s ILE 956 Ca 0.05 -0.50 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 1n6f s ILE 956 Cb -0.11 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 1n6f s ILE 956 CO 0.01 0.27 -0.05 0.00 -1.91 0.00 0.00 174.94 173.26 1n6f s ALA 957 N -0.18 2.99 -0.10 1.50 0.00 -0.46 -0.15 121.76 125.36 1n6f s ALA 957 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1n6f s ALA 957 Cb -0.06 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1n6f s ALA 957 CO -0.00 0.40 -0.09 0.42 0.00 0.00 0.00 175.76 176.49 1n6f s ILE 958 N -0.25 3.49 0.04 0.00 1.01 -0.78 0.05 121.20 124.77 1n6f s ILE 958 Ca 0.04 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1n6f s ILE 958 Cb -0.13 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1n6f s ILE 958 CO 0.02 0.56 0.31 0.28 0.00 0.00 0.00 174.94 176.12 1n6f s THR 959 N -0.27 0.08 0.13 2.92 -1.32 0.71 -0.42 115.64 117.47 1n6f s THR 959 Ca 0.03 -0.64 0.02 0.00 -1.21 0.00 0.00 61.69 59.89 1n6f s THR 959 Cb -0.13 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 1n6f s THR 959 CO 0.03 -0.35 0.07 -0.46 -2.21 0.00 0.00 174.62 171.70 1n6f n ASN 960 N 0.63 0.42 0.00 8.08 0.23 -1.26 -1.57 115.26 121.80 1n6f n ASN 960 Ca -0.19 -1.76 0.08 0.00 -0.53 0.00 0.00 54.58 52.18 1n6f n ASN 960 Cb 0.59 0.47 0.45 0.00 -2.08 0.00 0.00 39.78 39.21 1n6f n ASN 960 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1n6f n GLU 961 N -0.27 0.44 -0.36 -3.83 0.00 -1.20 -2.63 120.64 112.79 1n6f n GLU 961 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 57.16 57.29 1n6f n GLU 961 Cb 0.21 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.44 1n6f n GLU 961 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1n6f n TYR 962 N -1.05 0.93 -3.95 -1.84 0.53 -1.26 -3.45 117.16 107.07 1n6f n TYR 962 Ca 0.11 -0.52 -0.35 0.00 -1.02 0.00 0.00 57.90 56.11 1n6f n TYR 962 Cb 0.07 -0.04 -0.11 0.00 -1.03 0.00 0.00 39.34 38.22 1n6f n TYR 962 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1n6f s ALA 963 N -1.15 3.27 0.31 -0.72 0.00 -1.08 -3.27 121.76 119.12 1n6f s ALA 963 Ca 0.43 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 1n6f s ALA 963 Cb 0.24 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 1n6f s ALA 963 CO 0.28 -0.10 0.39 0.20 0.00 0.00 0.00 175.76 176.52 1n6f s GLY 964 N 0.90 1.58 0.00 0.00 0.00 -0.62 -1.28 107.32 107.89 1n6f s GLY 964 Ca 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1n6f s GLY 964 CO 0.03 -1.12 0.00 1.44 0.00 0.00 0.00 173.10 173.45 1n6f n SER 965 N -1.19 0.00 0.09 1.64 7.64 -1.00 0.79 113.62 121.59 1n6f n SER 965 Ca 0.02 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.98 1n6f n SER 965 Cb 0.62 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 64.20 1n6f n SER 965 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1n6f n ASP 966 N 7.47 0.37 -0.04 6.43 2.03 -1.26 0.02 116.55 131.56 1n6f n ASP 966 Ca 0.00 0.63 -0.15 0.00 0.52 0.00 0.00 54.79 55.79 1n6f n ASP 966 Cb 0.00 -0.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.63 1n6f n ASP 966 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1n6f h GLY 967 N 1.01 0.55 0.88 0.27 0.00 0.15 -0.27 103.07 105.65 1n6f h GLY 967 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1n6f h GLY 967 CO 0.00 0.64 0.07 -0.55 0.00 0.00 0.00 176.54 176.70 1n6f h ASP 968 N 0.11 0.25 -0.24 0.19 3.32 -0.43 -2.36 116.42 117.26 1n6f h ASP 968 Ca -0.01 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.92 1n6f h ASP 968 Cb 1.02 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.45 1n6f h ASP 968 CO 0.09 0.35 -0.12 0.40 -1.72 0.00 0.00 179.24 178.24 1n6f h ILE 969 N 0.13 0.63 0.20 0.35 1.08 -0.87 -0.99 117.51 118.03 1n6f h ILE 969 Ca 0.06 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1n6f h ILE 969 Cb 0.18 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1n6f h ILE 969 CO -0.00 0.00 -0.27 0.15 -0.69 0.00 0.00 178.15 177.34 1n6f h PHE 970 N -0.09 -0.71 -0.24 1.37 3.57 -0.96 -0.05 116.94 119.82 1n6f h PHE 970 Ca 0.13 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1n6f h PHE 970 Cb 0.28 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 1n6f h PHE 970 CO -0.29 -0.38 -0.21 0.77 -2.23 0.00 0.00 178.31 175.96 1n6f h SER 971 N -0.52 -0.69 -0.54 0.41 0.02 -1.13 0.45 113.55 111.56 1n6f h SER 971 Ca 0.01 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1n6f h SER 971 Cb 0.51 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1n6f h SER 971 CO -0.10 -0.25 0.34 0.15 -1.14 0.00 0.00 176.83 175.83 1n6f h PHE 972 N -0.21 0.65 -0.50 3.45 3.57 -1.03 -2.65 116.94 120.21 1n6f h PHE 972 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1n6f h PHE 972 Cb 0.42 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1n6f h PHE 972 CO -0.37 0.39 0.17 0.77 -2.23 0.00 0.00 178.31 177.04 1n6f h SER 973 N 0.69 0.71 -0.92 0.41 0.02 -0.15 -0.85 113.55 113.45 1n6f h SER 973 Ca 0.21 -0.19 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1n6f h SER 973 Cb -0.03 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.24 1n6f h SER 973 CO -0.07 0.71 0.56 0.15 -1.14 0.00 0.00 176.83 177.04 1n6f h PHE 974 N 0.67 1.01 0.42 3.45 3.57 0.13 -0.28 116.94 125.92 1n6f h PHE 974 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1n6f h PHE 974 Cb 0.24 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1n6f h PHE 974 CO 0.01 0.41 -0.20 0.87 -2.23 0.00 0.00 178.31 177.17 1n6f h LYS 975 N 0.91 -0.55 -0.72 1.11 1.57 -1.13 -2.37 116.57 115.39 1n6f h LYS 975 Ca 0.45 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.43 1n6f h LYS 975 Cb 0.42 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.73 1n6f h LYS 975 CO -0.26 -0.26 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.14 1n6f h LYS 976 N -1.03 0.10 0.00 3.15 1.63 -0.81 0.66 116.57 120.27 1n6f h LYS 976 Ca -0.06 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1n6f h LYS 976 Cb 0.54 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1n6f h LYS 976 CO 0.10 0.07 0.00 1.28 -3.45 0.00 0.00 179.45 177.44 1n6f n LEU 977 N -5.33 0.00 -3.86 5.20 4.77 -0.15 -4.92 117.00 112.71 1n6f n LEU 977 Ca 0.12 0.08 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 1n6f n LEU 977 Cb 0.44 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1n6f n LEU 977 CO 0.06 -0.01 0.04 0.61 -1.33 0.00 0.00 177.39 176.77 1n6f n GLY 978 N 0.92 -0.42 0.27 -0.72 0.00 0.23 -4.87 105.19 100.59 1n6f n GLY 978 Ca 0.20 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.55 1n6f n GLY 978 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n6f h LEU 979 N -2.01 0.00 0.00 0.99 4.07 -1.65 -3.48 115.31 113.23 1n6f h LEU 979 Ca -0.59 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1n6f h LEU 979 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1n6f h LEU 979 CO 0.64 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.64 1n6f n GLY 980 N 0.14 -1.44 3.81 0.83 0.00 -1.26 -4.40 105.19 102.87 1n6f n GLY 980 Ca 0.01 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1n6f n GLY 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 981 N -1.31 4.31 -0.25 1.61 -0.14 -1.25 -4.74 119.74 117.97 1n6f s LYS 981 Ca 0.00 0.96 -0.09 0.00 -1.36 0.00 0.00 55.97 55.48 1n6f s LYS 981 Cb 0.00 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 1n6f s LYS 981 CO 0.00 0.36 0.12 -1.17 -0.76 0.00 0.00 175.35 173.90 1n6f s LEU 982 N -2.04 3.74 0.11 3.17 2.96 -1.26 -1.36 118.68 124.00 1n6f s LEU 982 Ca 0.45 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.37 1n6f s LEU 982 Cb -0.17 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1n6f s LEU 982 CO 0.21 -0.02 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.40 1n6f s ILE 983 N 1.53 2.71 0.00 6.68 1.09 0.11 -0.02 121.20 133.30 1n6f s ILE 983 Ca 0.06 -1.50 0.00 0.00 -1.10 0.00 0.00 60.65 58.11 1n6f s ILE 983 Cb -0.15 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.03 1n6f s ILE 983 CO 0.06 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 1n6f n GLY 984 N 0.95 0.37 3.02 6.18 0.00 -1.06 -0.21 105.19 114.45 1n6f n GLY 984 Ca -0.16 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1n6f n GLY 984 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n6f s THR 985 N -0.78 0.28 0.19 2.61 -4.23 -0.61 0.22 115.64 113.32 1n6f s THR 985 Ca 0.00 -1.03 -0.31 0.00 -1.18 0.00 0.00 61.69 59.17 1n6f s THR 985 Cb 0.00 -0.47 -0.16 0.00 1.34 0.00 0.00 72.50 73.21 1n6f s THR 985 CO 0.00 -0.49 0.90 -1.14 -0.54 0.00 0.00 174.62 173.35 1n6f n ARG 986 N 1.45 0.71 -1.93 3.99 0.63 -1.26 -3.89 116.66 116.36 1n6f n ARG 986 Ca -0.23 0.25 -0.30 0.00 -0.92 0.00 0.00 57.85 56.66 1n6f n ARG 986 Cb 0.55 -1.55 0.16 0.00 0.45 0.00 0.00 32.46 32.07 1n6f n ARG 986 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1n6f s THR 987 N -0.65 2.00 0.16 5.15 -4.23 -0.85 -3.24 115.64 113.98 1n6f s THR 987 Ca 0.68 -0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.90 1n6f s THR 987 Cb -0.88 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 1n6f s THR 987 CO 0.56 0.00 1.55 -0.25 -0.54 0.00 0.00 174.62 175.94 1n6f h TRP 988 N -1.46 -1.69 -0.02 3.99 7.01 -1.21 -1.70 115.95 120.86 1n6f h TRP 988 Ca -0.45 0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1n6f h TRP 988 Cb 1.26 0.84 0.00 0.00 -2.10 0.00 0.00 29.16 29.17 1n6f h TRP 988 CO -0.71 -0.41 0.00 0.41 -2.79 0.00 0.00 178.44 174.94 1n6f n GLY 989 N -1.32 1.66 2.89 2.65 0.00 -1.26 -2.60 105.19 107.21 1n6f n GLY 989 Ca 0.02 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1n6f n GLY 989 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n6f s GLY 990 N -2.14 1.32 -0.41 -0.02 0.00 -1.26 0.12 107.32 104.93 1n6f s GLY 990 Ca 0.00 -1.59 0.10 0.00 0.00 0.00 0.00 44.72 43.23 1n6f s GLY 990 CO 0.00 1.11 0.99 3.33 0.00 0.00 0.00 173.10 178.53 1n6f n VAL 991 N 4.66 1.67 -3.87 1.40 0.24 -1.26 -2.39 118.33 118.77 1n6f n VAL 991 Ca -0.07 -4.31 -0.30 0.00 -2.04 0.00 0.00 64.34 57.62 1n6f n VAL 991 Cb 0.43 -0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 32.19 1n6f n VAL 991 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1n6f s VAL 992 N -4.16 1.88 0.84 3.34 1.01 -1.26 -2.28 120.40 119.76 1n6f s VAL 992 Ca 0.40 -2.45 -0.15 0.00 0.00 0.00 0.00 61.98 59.77 1n6f s VAL 992 Cb 0.40 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1n6f s VAL 992 CO -0.09 -0.73 0.28 0.61 0.00 0.00 0.00 175.10 175.17 1n6f n GLY 993 N 3.92 -2.21 2.90 4.51 0.00 0.48 -4.44 105.19 110.35 1n6f n GLY 993 Ca 0.04 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 1n6f n GLY 993 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n6f s ILE 994 N -2.13 0.17 -0.38 -0.61 -5.25 -1.26 -0.50 121.20 111.24 1n6f s ILE 994 Ca 0.58 -0.07 0.02 0.00 -0.99 0.00 0.00 60.65 60.19 1n6f s ILE 994 Cb -0.28 -0.16 0.15 0.00 2.95 0.00 0.00 42.46 45.13 1n6f s ILE 994 CO 0.65 0.06 0.30 -0.89 -1.79 0.00 0.00 174.94 173.28 1n6f s THR 995 N 0.07 0.04 0.54 8.37 2.01 -1.26 -5.04 115.64 120.36 1n6f s THR 995 Ca -0.00 -1.77 -0.22 0.00 0.31 0.00 0.00 61.69 60.01 1n6f s THR 995 Cb -0.02 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1n6f s THR 995 CO -0.00 -0.93 1.33 -2.16 -0.69 0.00 0.00 174.62 172.17 1n6f s PRO 996 N 0.87 3.20 0.00 4.92 0.04 -1.26 -4.93 135.00 137.83 1n6f s PRO 996 Ca 0.22 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1n6f s PRO 996 Cb -0.13 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1n6f s PRO 996 CO -0.06 -1.12 0.40 0.36 0.04 0.00 0.00 177.00 176.62 1n6f n LYS 997 N -1.00 0.00 -3.80 4.56 2.85 -1.26 -5.08 118.16 114.43 1n6f n LYS 997 Ca 0.10 -0.40 -0.13 0.00 -1.05 0.00 0.00 58.31 56.84 1n6f n LYS 997 Cb 0.46 -0.48 -0.12 0.00 -0.65 0.00 0.00 35.03 34.24 1n6f n LYS 997 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1n6f s ARG 998 N 0.00 0.27 0.41 -1.58 3.52 -1.26 -5.15 118.95 115.16 1n6f s ARG 998 Ca 0.00 0.26 0.07 0.00 -0.13 0.00 0.00 55.73 55.93 1n6f s ARG 998 Cb 0.00 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 1n6f s ARG 998 CO 0.00 -0.04 0.24 1.03 -0.81 0.00 0.00 175.30 175.73 1n6f s ARG 999 N 0.01 2.33 0.21 5.12 0.52 -1.26 -4.47 118.95 121.41 1n6f s ARG 999 Ca -0.01 -1.73 -0.04 0.00 -0.52 0.00 0.00 55.73 53.42 1n6f s ARG 999 Cb -0.02 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 1n6f s ARG 999 CO 0.00 -0.13 0.45 -0.51 0.02 0.00 0.00 175.30 175.13 1n6f s LEU 1000N -3.98 4.19 0.65 2.53 1.43 0.98 -4.93 118.68 119.56 1n6f s LEU 1000Ca 0.43 0.62 0.17 0.00 -1.03 0.00 0.00 54.13 54.32 1n6f s LEU 1000Cb 0.01 -3.38 0.87 0.00 0.03 0.00 0.00 46.19 43.73 1n6f s LEU 1000CO 0.24 -0.05 1.47 0.16 0.23 0.00 0.00 176.35 178.40 1n6f h ILE 1001N 1.74 0.04 -0.68 -0.59 3.07 -1.92 1.53 117.51 120.69 1n6f h ILE 1001Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1n6f h ILE 1001Cb 1.18 0.31 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 1n6f h ILE 1001CO 0.69 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.89 1n6f n ASP 1002N -2.86 3.84 0.00 2.16 5.75 -1.26 -3.88 116.55 120.29 1n6f n ASP 1002Ca 0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1n6f n ASP 1002Cb 0.80 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1n6f n ASP 1002CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n6f n GLY 1003N 1.64 1.43 3.64 6.12 0.00 0.52 -3.84 105.19 114.70 1n6f n GLY 1003Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1n6f n GLY 1003CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n6f n THR 1004N -2.00 2.07 -3.97 2.61 -1.04 -1.23 -4.07 114.28 106.66 1n6f n THR 1004Ca 0.00 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.18 1n6f n THR 1004Cb 0.00 -1.28 -0.14 0.00 -1.82 0.00 0.00 70.33 67.09 1n6f n THR 1004CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n6f s VAL 1005N -1.11 2.64 0.21 12.58 1.01 0.26 -0.01 120.40 135.98 1n6f s VAL 1005Ca 0.58 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1n6f s VAL 1005Cb -0.62 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1n6f s VAL 1005CO 0.60 -0.21 0.48 -0.76 0.00 0.00 0.00 175.10 175.22 1n6f s LEU 1006N 1.14 4.19 0.12 3.92 1.43 -1.26 -0.67 118.68 127.55 1n6f s LEU 1006Ca -0.03 0.76 0.11 0.00 -1.03 0.00 0.00 54.13 53.94 1n6f s LEU 1006Cb -0.20 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1n6f s LEU 1006CO -0.04 -0.04 -0.27 0.42 0.23 0.00 0.00 176.35 176.65 1n6f s THR 1007N -1.80 2.23 -0.04 5.49 -4.23 -0.29 -4.78 115.64 112.22 1n6f s THR 1007Ca 0.44 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1n6f s THR 1007Cb -0.11 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.78 1n6f s THR 1007CO 0.24 0.10 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.29 1n6f s GLN 1008N -2.00 0.65 -0.63 3.99 1.11 -1.25 -3.50 119.66 118.03 1n6f s GLN 1008Ca 0.14 -0.03 -0.26 0.00 0.01 0.00 0.00 55.36 55.21 1n6f s GLN 1008Cb -0.10 -0.74 -0.09 0.00 -1.01 0.00 0.00 33.01 31.07 1n6f s GLN 1008CO 0.06 -0.12 2.34 -1.25 0.01 0.00 0.00 175.29 176.33 1n6f s PRO 1009N 1.04 1.98 -0.02 2.91 0.04 -1.23 -4.61 135.00 135.10 1n6f s PRO 1009Ca -0.09 0.93 0.15 0.00 0.04 0.00 0.00 61.00 62.03 1n6f s PRO 1009Cb -0.14 -4.67 -0.23 0.00 0.04 0.00 0.00 34.50 29.51 1n6f s PRO 1009CO -0.01 -3.67 0.37 -1.91 0.04 0.00 0.00 177.00 171.82 1n6f n GLU 1010N 8.95 0.69 -3.93 4.56 2.13 -0.32 -0.81 120.64 131.91 1n6f n GLU 1010Ca 0.39 -0.12 -0.30 0.00 0.66 0.00 0.00 57.16 57.79 1n6f n GLU 1010Cb 0.50 -1.34 -0.14 0.00 0.27 0.00 0.00 31.44 30.73 1n6f n GLU 1010CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1n6f s PHE 1011N -2.96 3.12 -0.22 4.31 0.40 0.34 -4.32 117.98 118.64 1n6f s PHE 1011Ca -0.04 -2.88 -0.29 0.00 -0.60 0.00 0.00 56.93 53.12 1n6f s PHE 1011Cb 0.10 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 1n6f s PHE 1011CO 0.63 -0.84 1.27 0.00 0.70 0.00 0.00 175.22 176.98 1n6f s ALA 1012N 0.45 3.54 -0.20 5.36 0.00 -1.26 0.18 121.76 129.83 1n6f s ALA 1012Ca 0.14 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 1n6f s ALA 1012Cb -0.22 -3.68 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1n6f s ALA 1012CO -0.06 -1.42 0.93 0.12 0.00 0.00 0.00 175.76 175.33 1n6f s PHE 1013N 3.87 3.38 -0.26 0.00 5.36 -0.97 -4.97 117.98 124.40 1n6f s PHE 1013Ca 0.55 1.36 -0.06 0.00 -0.96 0.00 0.00 56.93 57.83 1n6f s PHE 1013Cb -0.19 -3.14 -0.00 0.00 -0.34 0.00 0.00 43.02 39.34 1n6f s PHE 1013CO 0.18 -0.36 0.03 -0.46 -1.46 0.00 0.00 175.22 173.15 1n6f s TRP 1014N 2.66 3.08 0.05 10.12 -0.00 -1.26 -4.46 118.94 129.13 1n6f s TRP 1014Ca 0.41 -0.92 -0.08 0.00 -0.00 0.00 0.00 56.10 55.51 1n6f s TRP 1014Cb -0.16 -2.19 -0.05 0.00 -0.00 0.00 0.00 33.47 31.07 1n6f s TRP 1014CO 0.10 -0.54 0.34 -0.06 -0.00 0.00 0.00 176.95 176.78 1n6f s PHE 1015N 1.50 3.57 0.23 5.86 2.99 -0.19 -4.94 117.98 126.99 1n6f s PHE 1015Ca 0.04 0.66 -0.30 0.00 0.00 0.00 0.00 56.93 57.33 1n6f s PHE 1015Cb -0.16 -2.06 -0.09 0.00 0.00 0.00 0.00 43.02 40.71 1n6f s PHE 1015CO 0.00 0.55 1.19 0.50 -0.00 0.00 0.00 175.22 177.47 1n6f s ARG 1016N -1.93 4.51 -1.40 0.44 3.52 -1.26 -0.88 118.95 121.94 1n6f s ARG 1016Ca 0.31 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 1n6f s ARG 1016Cb -0.13 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1n6f s ARG 1016CO 0.18 -0.03 0.00 -0.25 -0.81 0.00 0.00 175.30 174.39 1n6f n ASP 1017N 2.00 -4.57 0.00 -2.12 10.43 -1.26 -4.68 116.55 116.35 1n6f n ASP 1017Ca 0.03 0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.63 1n6f n ASP 1017Cb 0.44 -3.42 0.00 0.00 1.84 0.00 0.00 41.12 39.98 1n6f n ASP 1017CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n6f n ALA 1018N 0.41 0.00 -0.50 2.24 0.00 -1.15 -5.12 120.51 116.40 1n6f n ALA 1018Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1n6f n ALA 1018Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1n6f n ALA 1018CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 1019N 0.00 2.90 1.17 0.00 0.00 -0.06 -0.34 105.19 108.86 1n6f n GLY 1019Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1n6f n GLY 1019CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n6f n PHE 1020N 14.00 0.77 -0.44 1.61 3.01 -1.26 -1.02 117.46 134.13 1n6f n PHE 1020Ca 0.00 -0.39 0.37 0.00 1.01 0.00 0.00 57.45 58.45 1n6f n PHE 1020Cb 0.00 0.00 0.63 0.00 -0.01 0.00 0.00 39.48 40.10 1n6f n PHE 1020CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n6f n GLY 1021N 1.52 -0.78 0.26 1.37 0.00 0.53 -0.02 105.19 108.07 1n6f n GLY 1021Ca 0.21 0.71 0.03 0.00 0.00 0.00 0.00 46.02 46.97 1n6f n GLY 1021CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n6f h VAL 1022N 0.00 1.15 -2.82 1.61 2.07 -1.81 -3.40 116.25 113.04 1n6f h VAL 1022Ca 0.82 -0.58 -0.53 0.00 0.82 0.00 0.00 66.70 67.23 1n6f h VAL 1022Cb 2.64 1.03 0.04 0.00 -1.52 0.00 0.00 31.29 33.48 1n6f h VAL 1022CO -0.44 0.19 0.88 -0.70 0.02 0.00 0.00 177.57 177.52 1n6f s GLU 1023N -4.93 4.22 -1.05 1.57 2.56 0.98 -0.74 118.70 121.31 1n6f s GLU 1023Ca -0.06 2.34 -0.01 0.00 0.00 0.00 0.00 54.97 57.24 1n6f s GLU 1023Cb 0.16 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 33.09 1n6f s GLU 1023CO 0.73 -0.61 0.08 -1.71 -0.56 0.00 0.00 175.26 173.20 1n6f n ASN 1024N 4.13 -4.06 0.04 -1.70 4.05 0.32 -4.79 115.26 113.25 1n6f n ASN 1024Ca 0.14 -0.05 0.00 0.00 0.45 0.00 0.00 54.58 55.12 1n6f n ASN 1024Cb 0.39 -3.18 0.00 0.00 1.23 0.00 0.00 39.78 38.22 1n6f n ASN 1024CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n6f n TYR 1025N -4.01 -1.90 -0.48 1.20 9.36 -0.79 -3.85 117.16 116.69 1n6f n TYR 1025Ca -0.13 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1n6f n TYR 1025Cb 0.61 0.91 0.00 0.00 -0.63 0.00 0.00 39.34 40.22 1n6f n TYR 1025CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1n6f n GLY 1026N -0.21 -1.86 3.22 2.98 0.00 0.08 -3.31 105.19 106.10 1n6f n GLY 1026Ca 0.00 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1n6f n GLY 1026CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n6f s VAL 1027N 0.00 1.89 -0.14 1.61 1.01 -1.26 -4.70 120.40 118.80 1n6f s VAL 1027Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 1n6f s VAL 1027Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1n6f s VAL 1027CO 0.00 0.53 0.54 -1.81 0.00 0.00 0.00 175.10 174.36 1n6f s ASP 1028N 0.00 6.69 0.36 3.32 -0.00 -1.26 -2.01 116.67 123.78 1n6f s ASP 1028Ca -0.07 0.83 -0.25 0.00 -0.00 0.00 0.00 52.55 53.06 1n6f s ASP 1028Cb -0.14 -2.31 -0.10 0.00 -0.00 0.00 0.00 42.92 40.37 1n6f s ASP 1028CO 0.04 -0.10 1.00 -2.16 -0.00 0.00 0.00 175.17 173.94 1n6f s PRO 1029N 1.11 4.38 0.31 8.23 0.04 -1.26 -4.94 135.00 142.87 1n6f s PRO 1029Ca 0.27 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1n6f s PRO 1029Cb -0.16 -2.65 0.77 0.00 0.04 0.00 0.00 34.50 32.51 1n6f s PRO 1029CO 0.11 0.07 1.79 -0.44 0.04 0.00 0.00 177.00 178.57 1n6f h ASP 1030N 2.79 0.75 -3.28 6.66 3.32 -0.83 -3.36 116.42 122.47 1n6f h ASP 1030Ca -0.48 0.09 -0.56 0.00 0.02 0.00 0.00 57.03 56.11 1n6f h ASP 1030Cb 1.20 -0.05 -0.37 0.00 0.22 0.00 0.00 39.33 40.33 1n6f h ASP 1030CO 0.64 0.27 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.94 1n6f s VAL 1031N -5.81 1.19 0.10 -1.35 1.01 -0.91 -5.02 120.40 109.61 1n6f s VAL 1031Ca -0.11 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1n6f s VAL 1031Cb 0.25 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1n6f s VAL 1031CO 0.80 0.22 0.93 -0.70 0.00 0.00 0.00 175.10 176.35 1n6f s GLU 1032N 1.61 4.66 -0.23 2.72 2.12 -1.26 -2.55 118.70 125.78 1n6f s GLU 1032Ca 0.02 1.39 -0.05 0.00 0.36 0.00 0.00 54.97 56.69 1n6f s GLU 1032Cb -0.14 -3.38 0.08 0.00 0.26 0.00 0.00 34.13 30.95 1n6f s GLU 1032CO -0.08 0.22 0.11 0.42 -0.54 0.00 0.00 175.26 175.39 1n6f s ILE 1033N 0.02 -0.08 1.02 -3.70 1.09 0.13 -4.88 121.20 114.80 1n6f s ILE 1033Ca 0.46 -0.45 -0.13 0.00 -1.10 0.00 0.00 60.65 59.43 1n6f s ILE 1033Cb -0.23 -0.77 0.20 0.00 -1.06 0.00 0.00 42.46 40.60 1n6f s ILE 1033CO 0.29 -0.50 1.10 -1.61 -0.10 0.00 0.00 174.94 174.12 1n6f s GLU 1034N 2.12 0.27 -0.46 2.79 0.41 -1.26 -4.39 118.70 118.19 1n6f s GLU 1034Ca 0.05 0.40 0.06 0.00 -0.41 0.00 0.00 54.97 55.07 1n6f s GLU 1034Cb -0.16 -1.73 0.22 0.00 -1.78 0.00 0.00 34.13 30.68 1n6f s GLU 1034CO -0.22 -2.81 0.50 0.98 -0.49 0.00 0.00 175.26 173.22 1n6f n TYR 1035N -4.21 0.37 -0.71 1.61 4.19 -1.26 -4.71 117.16 112.44 1n6f n TYR 1035Ca 0.06 -3.64 -0.30 0.00 3.31 0.00 0.00 57.90 57.33 1n6f n TYR 1035Cb 0.58 -0.23 0.19 0.00 0.49 0.00 0.00 39.34 40.37 1n6f n TYR 1035CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1n6f s ALA 1036N -1.05 0.74 0.51 2.98 0.00 -1.26 -4.87 121.76 118.82 1n6f s ALA 1036Ca 0.34 0.24 0.18 0.00 0.00 0.00 0.00 51.96 52.72 1n6f s ALA 1036Cb 0.11 -3.34 1.26 0.00 0.00 0.00 0.00 23.12 21.16 1n6f s ALA 1036CO -0.13 -3.12 2.10 -1.35 0.00 0.00 0.00 175.76 173.27 1n6f h PRO 1037N -2.11 0.05 0.00 0.00 0.11 -1.92 -1.46 132.00 126.66 1n6f h PRO 1037Ca -0.51 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1n6f h PRO 1037Cb 1.29 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1n6f h PRO 1037CO 0.47 0.03 -0.11 1.12 -0.21 0.00 0.00 178.00 179.29 1n6f h HIS 1038N 0.05 0.00 -0.16 0.65 2.07 -1.87 -2.47 115.15 113.41 1n6f h HIS 1038Ca 0.08 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.47 1n6f h HIS 1038Cb 0.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 1n6f h HIS 1038CO -0.00 0.11 -0.45 -0.44 -3.07 0.00 0.00 177.93 174.08 1n6f h ASP 1039N 0.00 0.43 0.48 3.10 3.45 -1.60 -1.92 116.42 120.36 1n6f h ASP 1039Ca -0.00 -0.20 -0.20 0.00 0.43 0.00 0.00 57.03 57.06 1n6f h ASP 1039Cb 0.89 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.54 1n6f h ASP 1039CO 0.01 0.83 -0.86 1.88 -1.57 0.00 0.00 179.24 179.53 1n6f h TYR 1040N 0.33 0.40 -0.32 4.55 -1.99 -1.42 -2.30 116.97 116.22 1n6f h TYR 1040Ca 0.02 -0.21 -0.06 0.00 2.00 0.00 0.00 58.73 60.48 1n6f h TYR 1040Cb 0.92 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.59 1n6f h TYR 1040CO 0.03 1.01 -0.07 -0.07 -0.00 0.00 0.00 178.16 179.06 1n6f h LEU 1041N 0.16 0.50 0.00 3.88 3.38 -1.18 -1.53 115.31 120.52 1n6f h LEU 1041Ca -0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1n6f h LEU 1041Cb 1.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1n6f h LEU 1041CO 0.14 0.61 -0.04 0.77 0.09 0.00 0.00 178.44 180.01 1n6f h SER 1042N 0.49 0.00 -0.61 -0.43 4.64 -1.32 -3.47 113.55 112.85 1n6f h SER 1042Ca 0.10 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1n6f h SER 1042Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1n6f h SER 1042CO 0.02 0.00 -0.11 0.61 -0.87 0.00 0.00 176.83 176.49 1n6f n GLY 1043N 1.21 0.21 3.48 -0.77 0.00 -0.58 -5.04 105.19 103.70 1n6f n GLY 1043Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1n6f n GLY 1043CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n6f s LYS 1044N -4.23 2.24 -0.53 1.61 2.20 -0.91 -5.05 119.74 115.07 1n6f s LYS 1044Ca 0.00 -0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 54.58 1n6f s LYS 1044Cb -0.00 -2.27 0.13 0.00 -1.51 0.00 0.00 37.83 34.18 1n6f s LYS 1044CO 0.00 0.57 0.48 0.34 -0.36 0.00 0.00 175.35 176.38 1n6f s ASP 1045N -1.25 6.13 0.46 1.43 -1.08 -1.26 -4.52 116.67 116.58 1n6f s ASP 1045Ca 0.14 -1.80 0.19 0.00 -0.52 0.00 0.00 52.55 50.56 1n6f s ASP 1045Cb -0.11 -2.19 1.11 0.00 -1.46 0.00 0.00 42.92 40.28 1n6f s ASP 1045CO 0.04 -0.84 1.98 1.55 0.52 0.00 0.00 175.17 178.43 1n6f h PRO 1046N 8.84 0.00 -0.00 4.34 0.13 -1.92 -1.54 132.00 141.84 1n6f h PRO 1046Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1n6f h PRO 1046Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1n6f h PRO 1046CO 1.02 0.20 -0.04 1.96 -0.23 0.00 0.00 178.00 180.91 1n6f h GLN 1047N 0.00 0.03 -0.52 0.86 4.20 -1.88 -1.56 115.11 116.24 1n6f h GLN 1047Ca -0.00 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1n6f h GLN 1047Cb 0.40 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1n6f h GLN 1047CO 0.03 0.74 0.01 0.97 -0.67 0.00 0.00 178.83 179.91 1n6f h ILE 1048N -0.67 1.25 -0.29 2.54 2.10 -1.98 -1.88 117.51 118.59 1n6f h ILE 1048Ca -0.00 -1.04 -0.01 0.00 1.08 0.00 0.00 64.86 64.89 1n6f h ILE 1048Cb 0.75 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 1n6f h ILE 1048CO 0.01 0.37 0.15 0.44 -1.08 0.00 0.00 178.15 178.04 1n6f h ASP 1049N 0.82 0.37 -0.49 2.19 3.45 -1.32 -0.73 116.42 120.71 1n6f h ASP 1049Ca 0.16 -0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.54 1n6f h ASP 1049Cb 0.47 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 1n6f h ASP 1049CO 0.02 0.37 0.29 0.22 -1.57 0.00 0.00 179.24 178.57 1n6f h TYR 1050N 0.34 0.54 -0.30 4.55 3.20 -1.11 -1.14 116.97 123.06 1n6f h TYR 1050Ca 0.10 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1n6f h TYR 1050Cb 0.09 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 1n6f h TYR 1050CO -0.03 0.31 -0.06 0.00 -1.64 0.00 0.00 178.16 176.74 1n6f h ALA 1051N 1.21 0.20 0.72 1.82 0.00 -0.84 0.47 119.26 122.85 1n6f h ALA 1051Ca 0.19 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1n6f h ALA 1051Cb 0.01 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n6f h ALA 1051CO -0.09 -0.46 -0.43 0.82 0.00 0.00 0.00 179.25 179.10 1n6f h ILE 1052N 0.01 0.00 -0.46 0.00 1.08 -0.83 -1.84 117.51 115.48 1n6f h ILE 1052Ca 0.14 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 1n6f h ILE 1052Cb 0.21 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.89 1n6f h ILE 1052CO -0.30 0.00 0.03 0.44 -0.69 0.00 0.00 178.15 177.64 1n6f h ASP 1053N -1.07 -0.12 -0.81 1.72 3.45 -1.02 0.91 116.42 119.48 1n6f h ASP 1053Ca -0.10 0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.53 1n6f h ASP 1053Cb 0.85 0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 39.72 1n6f h ASP 1053CO 0.11 -0.03 0.48 0.00 -1.57 0.00 0.00 179.24 178.23 1n6f h ALA 1054N 1.39 1.12 -0.24 3.45 0.00 -0.04 -1.41 119.26 123.52 1n6f h ALA 1054Ca 0.23 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1n6f h ALA 1054Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n6f h ALA 1054CO -0.35 0.17 -0.50 -0.07 0.00 0.00 0.00 179.25 178.50 1n6f h LEU 1055N 0.85 0.74 -0.63 0.00 3.38 -0.43 -2.26 115.31 116.96 1n6f h LEU 1055Ca 0.37 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n6f h LEU 1055Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1n6f h LEU 1055CO -0.20 1.11 0.42 0.40 0.09 0.00 0.00 178.44 180.26 1n6f h ILE 1056N 0.53 1.16 -0.82 1.22 2.04 -0.18 -0.30 117.51 121.15 1n6f h ILE 1056Ca 0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1n6f h ILE 1056Cb 1.06 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1n6f h ILE 1056CO 0.10 0.16 0.47 -0.08 0.00 0.00 0.00 178.15 178.80 1n6f h GLU 1057N 0.85 1.13 0.00 2.37 4.57 -1.13 -1.88 114.58 120.48 1n6f h GLU 1057Ca 0.23 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1n6f h GLU 1057Cb -0.09 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.27 1n6f h GLU 1057CO -0.05 0.81 0.00 0.93 -1.18 0.00 0.00 179.01 179.52 1n6f h GLU 1058N 1.14 0.00 -1.03 1.92 5.08 -0.72 -3.11 114.58 117.85 1n6f h GLU 1058Ca 0.29 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 58.02 1n6f h GLU 1058Cb -0.01 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 28.96 1n6f h GLU 1058CO -0.05 0.00 0.82 1.28 -1.00 0.00 0.00 179.01 180.06 1n6f n LEU 1059N -2.46 7.52 -0.05 1.33 4.32 -0.21 -4.13 117.00 123.31 1n6f n LEU 1059Ca 0.02 -4.14 -0.05 0.00 -0.02 0.00 0.00 56.01 51.82 1n6f n LEU 1059Cb 0.26 -0.97 -0.09 0.00 -1.62 0.00 0.00 43.42 41.00 1n6f n LEU 1059CO 0.22 1.41 -0.87 0.54 -1.22 0.00 0.00 177.39 177.47 1n6f n ARG 1060N -0.86 1.93 0.00 3.23 5.12 -1.18 -5.00 116.66 119.90 1n6f n ARG 1060Ca 0.60 -0.01 0.01 0.00 -1.93 0.00 0.00 57.85 56.51 1n6f n ARG 1060Cb 0.76 -1.30 0.03 0.00 -1.16 0.00 0.00 32.46 30.79 1n6f n ARG 1060CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79