#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqa s ALA 43 N 0.00 -1.36 -0.11 7.54 0.00 -1.26 -4.95 121.76 121.61 2pqa s ALA 43 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 2pqa s ALA 43 Cb 0.00 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.39 2pqa s ALA 43 CO 0.00 -0.43 0.04 1.14 0.00 0.00 0.00 175.76 176.51 2pqa s GLN 44 N -1.92 0.38 -0.10 0.00 -2.07 -1.26 -5.17 119.66 109.52 2pqa s GLN 44 Ca -0.08 0.02 0.02 0.00 -1.82 0.00 0.00 55.36 53.50 2pqa s GLN 44 Cb -0.01 -1.27 -0.02 0.00 -1.09 0.00 0.00 33.01 30.62 2pqa s GLN 44 CO 0.03 -0.45 -0.16 -3.38 -1.32 0.00 0.00 175.29 170.01 2pqa s HIS 45 N 2.02 2.70 -0.33 9.60 -3.43 -1.26 -5.08 115.29 119.51 2pqa s HIS 45 Ca 0.03 -0.58 -0.08 0.00 -0.80 0.00 0.00 55.06 53.63 2pqa s HIS 45 Cb -0.14 -1.74 0.02 0.00 -1.43 0.00 0.00 32.58 29.29 2pqa s HIS 45 CO -0.06 -0.14 0.13 0.42 -2.00 0.00 0.00 174.74 173.09 2pqa s ILE 46 N 0.01 4.17 -0.23 -5.38 1.01 -1.26 -4.26 121.20 115.26 2pqa s ILE 46 Ca -0.05 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 2pqa s ILE 46 Cb -0.15 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 2pqa s ILE 46 CO 0.04 -0.07 0.15 -0.69 0.00 0.00 0.00 174.94 174.37 2pqa s VAL 47 N 1.51 5.30 0.23 2.92 1.01 -0.86 -4.91 120.40 125.59 2pqa s VAL 47 Ca 0.02 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2pqa s VAL 47 Cb -0.18 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 2pqa s VAL 47 CO 0.04 0.37 1.08 -2.16 0.00 0.00 0.00 175.10 174.43 2pqa s PRO 48 N 0.94 4.65 0.06 2.72 0.04 -1.26 -2.29 135.00 139.86 2pqa s PRO 48 Ca 0.07 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 2pqa s PRO 48 Cb -0.13 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2pqa s PRO 48 CO 0.03 0.20 -0.04 0.00 0.04 0.00 0.00 177.00 177.23 2pqa s THR 50 N -3.51 5.07 0.35 0.00 -4.23 -1.26 -4.40 115.64 107.66 2pqa s THR 50 Ca 0.05 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 2pqa s THR 50 Cb 0.05 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.38 2pqa s THR 50 CO -0.07 -0.44 1.95 0.40 -0.54 0.00 0.00 174.62 175.92 2pqa h ILE 51 N 1.05 1.03 -0.34 2.99 2.04 -1.93 -2.34 117.51 120.02 2pqa h ILE 51 Ca -0.49 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 2pqa h ILE 51 Cb 1.20 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2pqa h ILE 51 CO 0.64 0.15 -0.21 0.77 0.00 0.00 0.00 178.15 179.50 2pqa h SER 52 N 0.81 0.64 -0.76 1.72 4.64 -1.95 0.02 113.55 118.67 2pqa h SER 52 Ca 0.33 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2pqa h SER 52 Cb 0.26 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2pqa h SER 52 CO -0.11 0.84 0.49 1.56 -0.87 0.00 0.00 176.83 178.73 2pqa h GLN 53 N 0.56 0.93 -0.39 4.77 4.20 -1.82 0.13 115.11 123.50 2pqa h GLN 53 Ca 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2pqa h GLN 53 Cb 0.66 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2pqa h GLN 53 CO 0.05 0.62 0.24 -0.07 -0.67 0.00 0.00 178.83 179.00 2pqa h LEU 54 N 0.96 0.46 -0.81 1.46 3.38 -0.93 -2.53 115.31 117.30 2pqa h LEU 54 Ca 0.30 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.26 2pqa h LEU 54 Cb -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2pqa h LEU 54 CO -0.10 0.36 0.52 -0.07 0.09 0.00 0.00 178.44 179.24 2pqa h LEU 55 N 0.52 0.87 -1.82 1.67 3.38 -0.44 -2.86 115.31 116.62 2pqa h LEU 55 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pqa h LEU 55 Cb -0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2pqa h LEU 55 CO -0.03 0.60 -0.02 0.77 0.09 0.00 0.00 178.44 179.86 2pqa h SER 56 N 1.02 0.00 -2.94 -0.43 4.64 -0.47 -3.44 113.55 111.93 2pqa h SER 56 Ca 0.32 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.12 2pqa h SER 56 Cb -0.01 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.15 2pqa h SER 56 CO -0.11 0.02 0.94 0.00 -0.87 0.00 0.00 176.83 176.82 2pqa s ALA 57 N -3.81 3.84 0.36 5.18 0.00 -0.98 -5.00 121.76 121.36 2pqa s ALA 57 Ca -0.01 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2pqa s ALA 57 Cb 0.10 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2pqa s ALA 57 CO 0.52 -0.92 0.57 0.95 0.00 0.00 0.00 175.76 176.87 2pqa s THR 58 N 0.71 4.96 -0.26 0.00 -4.23 -0.97 -4.87 115.64 110.99 2pqa s THR 58 Ca 0.70 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2pqa s THR 58 Cb -0.48 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 69.61 2pqa s THR 58 CO 0.38 -0.54 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.67 2pqa s LEU 59 N -4.35 2.91 -0.16 4.79 2.96 -1.26 -0.82 118.68 122.74 2pqa s LEU 59 Ca 0.41 -1.37 0.01 0.00 -0.22 0.00 0.00 54.13 52.96 2pqa s LEU 59 Cb -0.10 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.37 2pqa s LEU 59 CO 0.36 -0.27 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.24 2pqa s VAL 60 N 1.32 2.01 -1.27 1.68 1.01 -0.43 -4.80 120.40 119.93 2pqa s VAL 60 Ca -0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2pqa s VAL 60 Cb -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2pqa s VAL 60 CO -0.08 0.53 0.61 0.47 0.00 0.00 0.00 175.10 176.63 2pqa n ASP 61 N 4.46 -2.91 -0.37 3.32 8.00 -1.26 -1.29 116.55 126.50 2pqa n ASP 61 Ca -0.20 -1.05 -0.05 0.00 0.71 0.00 0.00 54.79 54.20 2pqa n ASP 61 Cb 0.50 -3.03 -0.02 0.00 -0.02 0.00 0.00 41.12 38.55 2pqa n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pqa n GLU 62 N -4.38 -1.28 -4.00 -1.24 4.71 -1.26 -4.98 120.64 108.22 2pqa n GLU 62 Ca -0.19 0.57 -0.34 0.00 -0.01 0.00 0.00 57.16 57.19 2pqa n GLU 62 Cb 0.63 -4.65 -0.15 0.00 -1.01 0.00 0.00 31.44 26.27 2pqa n GLU 62 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2pqa s VAL 63 N -1.71 2.73 0.02 2.62 1.01 -0.41 -5.03 120.40 119.62 2pqa s VAL 63 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2pqa s VAL 63 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2pqa s VAL 63 CO 0.00 0.35 0.69 -0.36 0.00 0.00 0.00 175.10 175.78 2pqa s PHE 64 N 1.35 3.70 0.00 5.22 0.40 -1.20 -1.31 117.98 126.14 2pqa s PHE 64 Ca 0.03 1.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.72 2pqa s PHE 64 Cb -0.15 -2.73 -0.01 0.00 0.51 0.00 0.00 43.02 40.64 2pqa s PHE 64 CO -0.07 0.29 -0.08 -0.98 0.70 0.00 0.00 175.22 175.09 2pqa s ARG 65 N -0.05 0.62 -0.23 0.44 1.70 0.00 -2.15 118.95 119.29 2pqa s ARG 65 Ca 0.35 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 55.27 2pqa s ARG 65 Cb -0.19 -0.58 0.03 0.00 -0.57 0.00 0.00 34.95 33.64 2pqa s ARG 65 CO 0.20 0.15 -0.12 0.42 -1.08 0.00 0.00 175.30 174.88 2pqa s ILE 66 N -0.34 2.45 0.00 4.99 1.01 -0.11 -2.29 121.20 126.91 2pqa s ILE 66 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.55 2pqa s ILE 66 Cb -0.04 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2pqa s ILE 66 CO -0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2pqa n GLY 67 N 4.60 2.18 0.23 6.18 0.00 -1.26 -1.76 105.19 115.36 2pqa n GLY 67 Ca -0.18 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.44 2pqa n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pqa n ASN 68 N -0.62 0.68 -4.66 1.61 3.02 -1.26 -4.86 115.26 109.17 2pqa n ASN 68 Ca 0.00 -1.78 -0.35 0.00 -0.03 0.00 0.00 54.58 52.42 2pqa n ASN 68 Cb 0.00 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.01 2pqa n ASN 68 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pqa s VAL 69 N -1.87 4.24 0.05 2.41 1.01 -0.72 -5.11 120.40 120.40 2pqa s VAL 69 Ca 0.18 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2pqa s VAL 69 Cb 0.09 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2pqa s VAL 69 CO 0.14 0.59 -0.02 -1.83 0.00 0.00 0.00 175.10 173.99 2pqa s GLU 70 N -0.77 2.61 0.35 2.72 -1.05 -1.26 -0.93 118.70 120.36 2pqa s GLU 70 Ca 0.12 -0.75 -0.05 0.00 -0.15 0.00 0.00 54.97 54.14 2pqa s GLU 70 Cb -0.11 -2.56 0.01 0.00 -0.44 0.00 0.00 34.13 31.02 2pqa s GLU 70 CO 0.02 0.58 0.53 0.96 0.95 0.00 0.00 175.26 178.30 2pqa s ILE 71 N -1.18 0.00 0.00 1.83 -4.36 -0.91 -4.98 121.20 111.61 2pqa s ILE 71 Ca 0.22 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 2pqa s ILE 71 Cb -0.11 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.93 2pqa s ILE 71 CO 0.14 0.00 0.00 -0.24 0.24 0.00 0.00 174.94 175.08 2pqa n SER 72 N -1.37 0.00 -4.70 4.36 2.88 -1.26 -3.21 113.62 110.32 2pqa n SER 72 Ca -0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 2pqa n SER 72 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 2pqa n SER 72 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2pqa s GLN 73 N 0.00 4.38 0.02 -1.46 -0.21 -1.26 -1.55 119.66 119.58 2pqa s GLN 73 Ca 0.00 1.73 -0.01 0.00 0.02 0.00 0.00 55.36 57.09 2pqa s GLN 73 Cb 0.00 -3.48 -0.02 0.00 1.00 0.00 0.00 33.01 30.51 2pqa s GLN 73 CO 0.00 -0.38 -0.01 0.14 -2.12 0.00 0.00 175.29 172.93 2pqa s VAL 74 N 1.77 0.12 0.00 1.09 -7.23 0.06 -2.03 120.40 114.18 2pqa s VAL 74 Ca 0.57 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.79 2pqa s VAL 74 Cb -0.27 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 2pqa s VAL 74 CO 0.25 -0.55 -0.10 0.42 -0.31 0.00 0.00 175.10 174.81 2pqa s THR 75 N -1.77 3.37 0.20 5.32 -4.23 -0.97 -1.50 115.64 116.06 2pqa s THR 75 Ca -0.13 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 2pqa s THR 75 Cb -0.07 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 2pqa s THR 75 CO -0.02 0.42 0.04 -0.51 -0.54 0.00 0.00 174.62 174.00 2pqa s ILE 76 N -0.94 0.63 -0.08 2.99 1.10 -0.70 -0.21 121.20 124.00 2pqa s ILE 76 Ca 0.16 -1.99 0.01 0.00 -0.51 0.00 0.00 60.65 58.32 2pqa s ILE 76 Cb -0.11 -2.30 0.02 0.00 0.15 0.00 0.00 42.46 40.22 2pqa s ILE 76 CO 0.06 -0.31 -0.08 -0.69 -2.11 0.00 0.00 174.94 171.81 2pqa s VAL 77 N -3.70 0.93 0.05 4.00 1.01 -1.26 -0.45 120.40 120.98 2pqa s VAL 77 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2pqa s VAL 77 Cb 0.07 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2pqa s VAL 77 CO 0.07 0.33 0.18 0.61 0.00 0.00 0.00 175.10 176.29 2pqa n GLY 78 N 4.28 1.39 3.61 4.51 0.00 -0.85 -4.52 105.19 113.61 2pqa n GLY 78 Ca -0.19 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2pqa n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pqa s ILE 79 N -2.60 4.03 -0.31 -0.61 2.07 0.68 -0.70 121.20 123.76 2pqa s ILE 79 Ca 0.04 -0.34 -0.29 0.00 -1.41 0.00 0.00 60.65 58.65 2pqa s ILE 79 Cb -0.01 -2.69 -0.01 0.00 0.13 0.00 0.00 42.46 39.88 2pqa s ILE 79 CO 0.01 0.58 1.50 -0.63 -1.91 0.00 0.00 174.94 174.50 2pqa s ILE 80 N -0.62 3.84 -0.08 2.00 1.01 0.04 -0.72 121.20 126.67 2pqa s ILE 80 Ca 0.10 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.66 2pqa s ILE 80 Cb -0.12 -3.96 -0.25 0.00 0.01 0.00 0.00 42.46 38.13 2pqa s ILE 80 CO 0.02 -0.50 0.52 0.03 0.00 0.00 0.00 174.94 175.01 2pqa h ARG 81 N 10.66 0.18 -3.29 2.79 2.47 -1.15 0.93 114.38 126.96 2pqa h ARG 81 Ca -0.30 -0.30 -0.09 0.00 -1.26 0.00 0.00 59.98 58.03 2pqa h ARG 81 Cb 1.13 0.11 -0.16 0.00 -1.65 0.00 0.00 29.97 29.40 2pqa h ARG 81 CO 1.04 0.96 -0.21 -1.58 0.56 0.00 0.00 179.97 180.74 2pqa s HIS 82 N -2.58 -0.13 -0.17 3.04 2.46 -1.23 -4.77 115.29 111.91 2pqa s HIS 82 Ca -0.15 -0.03 -0.04 0.00 0.47 0.00 0.00 55.06 55.32 2pqa s HIS 82 Cb 0.07 0.13 0.08 0.00 -0.13 0.00 0.00 32.58 32.72 2pqa s HIS 82 CO 0.80 -0.54 0.19 0.00 -2.47 0.00 0.00 174.74 172.72 2pqa s ALA 83 N -2.75 -0.18 -0.08 1.58 0.00 -1.26 -1.32 121.76 117.76 2pqa s ALA 83 Ca -0.04 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2pqa s ALA 83 Cb -0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2pqa s ALA 83 CO -0.05 -1.02 0.09 -2.00 0.00 0.00 0.00 175.76 172.78 2pqa s GLU 84 N 2.30 3.24 -0.56 0.00 2.12 0.41 -4.98 118.70 121.22 2pqa s GLU 84 Ca 0.05 -0.30 -0.21 0.00 0.36 0.00 0.00 54.97 54.87 2pqa s GLU 84 Cb -0.15 -3.00 0.06 0.00 0.26 0.00 0.00 34.13 31.30 2pqa s GLU 84 CO -0.10 0.72 0.79 0.15 -0.54 0.00 0.00 175.26 176.28 2pqa s LYS 85 N -1.22 3.16 0.63 4.30 1.02 -1.26 -1.57 119.74 124.80 2pqa s LYS 85 Ca 0.17 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2pqa s LYS 85 Cb -0.12 -4.14 0.05 0.00 -0.52 0.00 0.00 37.83 33.10 2pqa s LYS 85 CO 0.07 -1.47 0.90 0.00 -0.92 0.00 0.00 175.35 173.93 2pqa s ALA 86 N 3.29 3.56 0.29 5.17 0.00 -0.25 -5.00 121.76 128.80 2pqa s ALA 86 Ca 0.20 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2pqa s ALA 86 Cb -0.18 -2.30 0.50 0.00 0.00 0.00 0.00 23.12 21.15 2pqa s ALA 86 CO 0.12 -1.05 1.89 -1.35 0.00 0.00 0.00 175.76 175.37 2pqa h PRO 87 N -0.27 1.03 0.00 0.00 0.11 -2.03 -3.30 132.00 127.54 2pqa h PRO 87 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pqa h PRO 87 Cb 1.30 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pqa h PRO 87 CO 0.54 0.68 -0.37 0.25 -0.21 0.00 0.00 178.00 178.90 2pqa n THR 88 N -4.52 0.00 -3.07 -1.15 -2.24 -1.26 -5.09 114.28 96.96 2pqa n THR 88 Ca 0.15 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2pqa n THR 88 Cb 0.23 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2pqa n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pqa n ASN 89 N -1.19 0.00 -4.30 3.42 0.23 -1.24 -4.89 115.26 107.28 2pqa n ASN 89 Ca 0.00 -0.96 -0.32 0.00 -0.53 0.00 0.00 54.58 52.77 2pqa n ASN 89 Cb 0.05 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.59 2pqa n ASN 89 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2pqa s ILE 90 N -2.89 2.36 -0.34 1.53 1.01 0.58 -1.09 121.20 122.35 2pqa s ILE 90 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 2pqa s ILE 90 Cb 0.00 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.59 2pqa s ILE 90 CO 0.00 0.56 0.16 -0.69 0.00 0.00 0.00 174.94 174.97 2pqa s VAL 91 N -0.05 4.31 0.09 2.92 1.01 -0.61 -0.89 120.40 127.18 2pqa s VAL 91 Ca -0.06 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2pqa s VAL 91 Cb -0.15 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2pqa s VAL 91 CO 0.05 -0.13 0.44 -0.31 0.00 0.00 0.00 175.10 175.15 2pqa s TYR 92 N 1.52 3.60 -0.25 5.22 4.12 -0.74 -0.44 117.35 130.38 2pqa s TYR 92 Ca 0.02 0.88 -0.08 0.00 0.02 0.00 0.00 57.07 57.90 2pqa s TYR 92 Cb -0.19 -2.23 -0.04 0.00 -1.52 0.00 0.00 41.96 37.99 2pqa s TYR 92 CO 0.05 0.50 0.10 0.15 0.02 0.00 0.00 175.55 176.38 2pqa s LYS 93 N -1.87 3.81 -0.12 -0.62 1.02 -0.43 -1.37 119.74 120.17 2pqa s LYS 93 Ca 0.34 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.95 2pqa s LYS 93 Cb -0.14 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 2pqa s LYS 93 CO 0.18 -0.10 -0.21 0.42 -0.92 0.00 0.00 175.35 174.72 2pqa s ILE 94 N 1.42 1.94 -0.26 2.17 1.01 -0.82 -0.52 121.20 126.13 2pqa s ILE 94 Ca 0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2pqa s ILE 94 Cb -0.15 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.66 2pqa s ILE 94 CO 0.05 0.53 -0.05 -0.62 0.00 0.00 0.00 174.94 174.85 2pqa s ASP 95 N 0.64 4.47 0.07 3.58 2.15 0.10 -1.72 116.67 125.96 2pqa s ASP 95 Ca -0.12 -1.07 0.02 0.00 0.43 0.00 0.00 52.55 51.81 2pqa s ASP 95 Cb -0.16 -1.66 -0.04 0.00 -0.30 0.00 0.00 42.92 40.76 2pqa s ASP 95 CO 0.03 -0.17 0.11 1.51 -0.17 0.00 0.00 175.17 176.47 2pqa s ASP 96 N 1.27 5.74 0.00 -0.34 1.47 -1.26 -0.23 116.67 123.31 2pqa s ASP 96 Ca -0.03 0.06 0.12 0.00 1.18 0.00 0.00 52.55 53.89 2pqa s ASP 96 Cb -0.18 -1.60 0.65 0.00 -0.34 0.00 0.00 42.92 41.45 2pqa s ASP 96 CO -0.04 0.18 1.22 0.23 0.68 0.00 0.00 175.17 177.44 2pqa n MET 97 N 0.44 0.27 0.04 2.11 2.81 -1.26 -3.36 117.12 118.17 2pqa n MET 97 Ca -0.08 0.09 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 2pqa n MET 97 Cb 0.51 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 32.04 2pqa n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2pqa n THR 98 N -1.15 0.33 -3.07 2.03 -2.24 -1.26 -4.89 114.28 104.03 2pqa n THR 98 Ca 0.07 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2pqa n THR 98 Cb 0.07 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2pqa n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqa n ALA 99 N -1.60 0.00 -1.71 6.98 0.00 -1.21 -4.50 120.51 118.46 2pqa n ALA 99 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 2pqa n ALA 99 Cb 0.34 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.83 2pqa n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqa s ALA 100 N -1.00 2.51 0.55 0.00 0.00 -1.26 -4.78 121.76 117.78 2pqa s ALA 100 Ca 0.00 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 2pqa s ALA 100 Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2pqa s ALA 100 CO 0.00 -1.23 1.01 -2.30 0.00 0.00 0.00 175.76 173.24 2pqa n PRO 101 N -1.71 1.10 -4.03 0.00 -0.02 -1.26 -4.92 135.00 124.15 2pqa n PRO 101 Ca 0.14 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 2pqa n PRO 101 Cb 0.50 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 2pqa n PRO 101 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2pqa s MET 102 N -2.58 3.11 0.18 -0.52 1.75 -0.70 -4.83 119.30 115.71 2pqa s MET 102 Ca 0.72 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 54.34 2pqa s MET 102 Cb -0.45 -2.88 -0.08 0.00 2.84 0.00 0.00 34.83 34.27 2pqa s MET 102 CO 0.50 0.62 1.08 -0.51 -0.65 0.00 0.00 175.02 176.06 2pqa s ASP 103 N -2.08 7.30 -0.14 1.11 1.01 -1.26 -1.95 116.67 120.67 2pqa s ASP 103 Ca 0.27 2.07 -0.02 0.00 0.71 0.00 0.00 52.55 55.58 2pqa s ASP 103 Cb -0.12 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.25 2pqa s ASP 103 CO 0.19 -0.19 0.01 -0.69 0.21 0.00 0.00 175.17 174.70 2pqa s VAL 104 N -0.30 0.55 -0.01 -1.27 1.01 -0.47 -0.74 120.40 119.17 2pqa s VAL 104 Ca 0.49 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 2pqa s VAL 104 Cb -0.29 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2pqa s VAL 104 CO 0.35 0.02 0.61 -0.13 0.00 0.00 0.00 175.10 175.95 2pqa s ARG 105 N 1.87 4.34 0.08 2.72 0.52 -0.06 -1.79 118.95 126.62 2pqa s ARG 105 Ca 0.02 0.76 0.06 0.00 -0.52 0.00 0.00 55.73 56.05 2pqa s ARG 105 Cb -0.15 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 2pqa s ARG 105 CO -0.07 0.33 -0.17 -1.14 0.02 0.00 0.00 175.30 174.27 2pqa s GLN 106 N -0.08 0.98 -0.08 3.54 2.00 -0.07 -1.24 119.66 124.71 2pqa s GLN 106 Ca 0.32 -1.02 0.00 0.00 -2.00 0.00 0.00 55.36 52.66 2pqa s GLN 106 Cb -0.18 -1.10 -0.03 0.00 0.80 0.00 0.00 33.01 32.50 2pqa s GLN 106 CO 0.17 0.25 -0.07 -1.58 -0.50 0.00 0.00 175.29 173.57 2pqa s TRP 107 N -1.17 2.93 0.02 1.67 0.51 -1.26 -0.31 118.94 121.33 2pqa s TRP 107 Ca 0.02 -0.05 0.03 0.00 -2.12 0.00 0.00 56.10 53.98 2pqa s TRP 107 Cb -0.10 -1.74 -0.01 0.00 -0.81 0.00 0.00 33.47 30.81 2pqa s TRP 107 CO 0.03 0.26 -0.11 0.14 -0.51 0.00 0.00 176.95 176.76 2pqa s VAL 108 N -0.62 0.82 -0.40 4.03 -7.23 -1.26 -5.02 120.40 110.72 2pqa s VAL 108 Ca 0.09 -0.69 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 2pqa s VAL 108 Cb -0.12 -0.74 0.01 0.00 0.56 0.00 0.00 36.38 36.10 2pqa s VAL 108 CO 0.02 0.05 0.29 -0.62 -0.31 0.00 0.00 175.10 174.54 2pqa s ASP 109 N -0.71 6.10 0.00 4.85 2.15 -1.26 -4.97 116.67 122.83 2pqa s ASP 109 Ca 0.01 -0.81 0.19 0.00 0.43 0.00 0.00 52.55 52.37 2pqa s ASP 109 Cb -0.06 -2.16 0.96 0.00 -0.30 0.00 0.00 42.92 41.37 2pqa s ASP 109 CO 0.00 -0.42 1.60 0.35 -0.17 0.00 0.00 175.17 176.54 2pqa n THR 110 N 5.16 0.44 -1.77 1.71 -2.24 -1.26 -2.39 114.28 113.93 2pqa n THR 110 Ca -0.11 0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2pqa n THR 110 Cb 0.47 -0.79 0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2pqa n THR 110 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2pqa n ASP 111 N -1.31 6.45 -3.57 3.42 8.00 -1.26 -5.00 116.55 123.28 2pqa n ASP 111 Ca 0.09 -3.78 -0.15 0.00 0.71 0.00 0.00 54.79 51.66 2pqa n ASP 111 Cb 0.16 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.48 2pqa n ASP 111 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2pqa s ASP 112 N -2.49 -0.48 -0.38 -2.24 1.47 -1.01 -5.08 116.67 106.46 2pqa s ASP 112 Ca 0.57 0.31 0.10 0.00 1.18 0.00 0.00 52.55 54.71 2pqa s ASP 112 Cb 0.46 0.49 0.31 0.00 -0.34 0.00 0.00 42.92 43.84 2pqa s ASP 112 CO -0.07 -0.67 0.66 0.41 0.68 0.00 0.00 175.17 176.17 2pqa n THR 113 N 0.59 -0.32 -0.85 2.11 -1.04 -1.26 -4.91 114.28 108.60 2pqa n THR 113 Ca -0.19 -4.39 0.01 0.00 -2.04 0.00 0.00 64.05 57.44 2pqa n THR 113 Cb 0.59 -0.89 0.01 0.00 -1.82 0.00 0.00 70.33 68.22 2pqa n THR 113 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2pqa n SER 114 N 0.69 0.78 0.00 8.00 3.41 -1.26 -5.26 113.62 119.97 2pqa n SER 114 Ca 0.24 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2pqa n SER 114 Cb 0.61 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2pqa n SER 114 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2pqa n THR 118 N -0.26 0.00 -1.66 6.66 5.66 -1.26 -5.09 114.28 118.32 2pqa n THR 118 Ca 0.01 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.52 2pqa n THR 118 Cb 0.47 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.19 2pqa n THR 118 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2pqa n VAL 119 N 0.00 0.21 -1.78 1.08 0.31 -1.26 -4.94 118.33 111.95 2pqa n VAL 119 Ca 0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 2pqa n VAL 119 Cb 0.00 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 2pqa n VAL 119 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pqa s VAL 120 N 2.10 2.16 0.75 2.52 1.01 -1.26 -4.96 120.40 122.71 2pqa s VAL 120 Ca 0.87 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 2pqa s VAL 120 Cb -0.80 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 32.55 2pqa s VAL 120 CO 0.48 0.01 1.08 -2.84 0.00 0.00 0.00 175.10 173.82 2pqa s PRO 121 N 0.98 2.49 0.58 2.72 0.02 -1.26 -4.94 135.00 135.59 2pqa s PRO 121 Ca 0.72 0.89 -0.18 0.00 0.02 0.00 0.00 61.00 62.46 2pqa s PRO 121 Cb -0.48 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 2pqa s PRO 121 CO 0.34 -1.40 1.10 -2.14 -0.33 0.00 0.00 177.00 174.57 2pqa s PRO 122 N -5.05 3.24 0.00 5.54 0.02 -1.26 -3.47 135.00 134.03 2pqa s PRO 122 Ca 0.60 1.45 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2pqa s PRO 122 Cb -0.15 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2pqa s PRO 122 CO 0.55 -0.91 0.00 -1.91 -0.33 0.00 0.00 177.00 174.40 2pqa n GLU 123 N -1.71 0.00 -3.77 5.54 4.07 0.32 -5.01 120.64 120.09 2pqa n GLU 123 Ca 0.10 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.84 2pqa n GLU 123 Cb 0.52 -0.97 -0.07 0.00 -0.06 0.00 0.00 31.44 30.86 2pqa n GLU 123 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2pqa s THR 124 N -2.32 5.42 0.12 6.31 2.01 -1.23 -4.87 115.64 121.08 2pqa s THR 124 Ca 0.00 0.29 -0.27 0.00 0.31 0.00 0.00 61.69 62.02 2pqa s THR 124 Cb 0.00 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 2pqa s THR 124 CO 0.00 0.53 0.83 -0.31 -0.69 0.00 0.00 174.62 174.98 2pqa s TYR 125 N -0.42 3.84 -0.04 4.92 1.51 -1.26 -0.78 117.35 125.12 2pqa s TYR 125 Ca 0.14 1.65 -0.04 0.00 -1.01 0.00 0.00 57.07 57.80 2pqa s TYR 125 Cb -0.12 -2.87 0.01 0.00 -0.11 0.00 0.00 41.96 38.87 2pqa s TYR 125 CO 0.03 0.36 0.11 0.08 -1.11 0.00 0.00 175.55 175.03 2pqa s VAL 126 N -0.54 0.01 0.06 0.71 1.01 0.12 -1.53 120.40 120.24 2pqa s VAL 126 Ca 0.40 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2pqa s VAL 126 Cb -0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2pqa s VAL 126 CO 0.26 -0.04 0.37 -0.75 0.00 0.00 0.00 175.10 174.94 2pqa s LYS 127 N -0.08 3.71 -0.07 2.72 2.20 0.06 -2.01 119.74 126.27 2pqa s LYS 127 Ca -0.02 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 2pqa s LYS 127 Cb -0.02 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 2pqa s LYS 127 CO 0.00 0.58 -0.07 0.08 -0.36 0.00 0.00 175.35 175.58 2pqa s VAL 128 N -1.38 0.80 -0.17 4.02 1.01 0.41 -1.64 120.40 123.46 2pqa s VAL 128 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2pqa s VAL 128 Cb -0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2pqa s VAL 128 CO 0.18 0.30 -0.11 0.00 0.00 0.00 0.00 175.10 175.47 2pqa s ALA 129 N 1.15 2.64 0.16 5.51 0.00 -0.23 -1.71 121.76 129.27 2pqa s ALA 129 Ca -0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 2pqa s ALA 129 Cb -0.14 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.64 2pqa s ALA 129 CO -0.01 -0.07 0.57 0.41 0.00 0.00 0.00 175.76 176.65 2pqa n GLY 130 N 4.13 1.06 3.81 0.00 0.00 -0.56 -0.09 105.19 113.52 2pqa n GLY 130 Ca -0.19 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2pqa n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pqa s HIS 131 N -4.09 3.36 0.26 1.61 3.76 0.17 -0.76 115.29 119.60 2pqa s HIS 131 Ca 0.12 0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 55.01 2pqa s HIS 131 Cb -0.02 -1.78 -0.09 0.00 1.11 0.00 0.00 32.58 31.80 2pqa s HIS 131 CO 0.05 0.58 0.94 -1.17 -0.85 0.00 0.00 174.74 174.29 2pqa s LEU 132 N -1.64 4.55 0.15 0.89 2.96 -0.60 -1.10 118.68 123.89 2pqa s LEU 132 Ca 0.22 1.91 -0.01 0.00 -0.22 0.00 0.00 54.13 56.03 2pqa s LEU 132 Cb -0.12 -3.73 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 2pqa s LEU 132 CO 0.13 0.09 0.07 -0.13 -1.32 0.00 0.00 176.35 175.19 2pqa s ARG 133 N -1.45 1.02 -0.25 1.98 1.81 0.60 -4.73 118.95 117.93 2pqa s ARG 133 Ca 0.44 -1.50 -0.09 0.00 -1.72 0.00 0.00 55.73 52.86 2pqa s ARG 133 Cb -0.24 0.20 0.11 0.00 -0.45 0.00 0.00 34.95 34.57 2pqa s ARG 133 CO 0.29 -0.28 0.54 0.45 -0.68 0.00 0.00 175.30 175.62 2pqa s SER 134 N -3.09 -0.71 -0.04 0.23 0.15 -1.26 -1.75 113.70 107.22 2pqa s SER 134 Ca 0.28 1.29 0.06 0.00 0.70 0.00 0.00 55.95 58.28 2pqa s SER 134 Cb 0.07 1.81 -0.01 0.00 -1.71 0.00 0.00 66.02 66.18 2pqa s SER 134 CO 0.05 -0.23 -0.22 -0.36 1.20 0.00 0.00 173.24 173.68 2pqa s PHE 135 N 2.71 2.10 -1.41 3.44 0.08 -1.10 -4.80 117.98 119.01 2pqa s PHE 135 Ca -0.04 -0.57 -0.08 0.00 0.12 0.00 0.00 56.93 56.36 2pqa s PHE 135 Cb -0.12 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2pqa s PHE 135 CO -0.16 -0.16 0.33 1.04 -0.10 0.00 0.00 175.22 176.17 2pqa n GLN 136 N 2.92 -1.66 -1.41 0.44 6.02 -1.26 -0.82 117.38 121.62 2pqa n GLN 136 Ca -0.17 0.23 -0.14 0.00 -0.01 0.00 0.00 57.00 56.90 2pqa n GLN 136 Cb 0.52 -3.78 -0.06 0.00 1.02 0.00 0.00 30.24 27.94 2pqa n GLN 136 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2pqa n ASN 137 N -2.78 -5.50 -4.30 1.08 5.15 -1.26 -4.98 115.26 102.68 2pqa n ASN 137 Ca -0.26 0.36 -0.38 0.00 -0.60 0.00 0.00 54.58 53.69 2pqa n ASN 137 Cb 0.66 -4.36 -0.12 0.00 -0.53 0.00 0.00 39.78 35.43 2pqa n ASN 137 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2pqa s LYS 138 N -3.20 2.75 0.42 1.20 2.20 0.00 -5.10 119.74 118.01 2pqa s LYS 138 Ca 0.00 -1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 54.28 2pqa s LYS 138 Cb 0.00 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 2pqa s LYS 138 CO 0.00 -0.61 1.11 0.15 -0.36 0.00 0.00 175.35 175.64 2pqa s LYS 139 N 1.43 3.99 0.13 4.03 -0.14 -1.26 -2.70 119.74 125.23 2pqa s LYS 139 Ca -0.00 1.67 -0.25 0.00 -1.36 0.00 0.00 55.97 56.02 2pqa s LYS 139 Cb -0.19 -2.51 0.07 0.00 -1.68 0.00 0.00 37.83 33.52 2pqa s LYS 139 CO 0.03 -0.33 0.92 -1.54 -0.76 0.00 0.00 175.35 173.67 2pqa s SER 140 N -1.41 -0.23 0.05 2.83 1.04 -0.72 -4.52 113.70 110.75 2pqa s SER 140 Ca 0.60 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.75 2pqa s SER 140 Cb -0.26 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2pqa s SER 140 CO 0.32 -0.88 -0.09 -0.76 0.98 0.00 0.00 173.24 172.81 2pqa s LEU 141 N -2.85 3.05 -0.29 2.42 1.43 0.08 -0.29 118.68 122.21 2pqa s LEU 141 Ca 0.11 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 2pqa s LEU 141 Cb -0.02 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2pqa s LEU 141 CO 0.00 0.24 0.06 -0.69 0.23 0.00 0.00 176.35 176.19 2pqa s VAL 142 N -1.07 3.77 -0.03 -1.59 1.01 -0.26 -0.89 120.40 121.35 2pqa s VAL 142 Ca 0.18 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 2pqa s VAL 142 Cb -0.11 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2pqa s VAL 142 CO 0.10 0.06 0.31 0.00 0.00 0.00 0.00 175.10 175.56 2pqa s ALA 143 N 1.46 3.78 -0.09 5.51 0.00 -0.37 0.42 121.76 132.46 2pqa s ALA 143 Ca 0.02 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.65 2pqa s ALA 143 Cb -0.17 -2.20 -0.12 0.00 0.00 0.00 0.00 23.12 20.62 2pqa s ALA 143 CO 0.01 0.56 0.05 1.19 0.00 0.00 0.00 175.76 177.57 2pqa n PHE 144 N 1.68 0.00 -3.89 0.00 3.01 0.87 -4.67 117.46 114.46 2pqa n PHE 144 Ca -0.15 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.20 2pqa n PHE 144 Cb 0.53 -0.46 -0.13 0.00 -0.01 0.00 0.00 39.48 39.41 2pqa n PHE 144 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2pqa s LYS 145 N -2.28 0.12 -0.36 -1.08 -2.85 -0.99 -5.02 119.74 107.27 2pqa s LYS 145 Ca -0.05 -0.15 0.01 0.00 -1.00 0.00 0.00 55.97 54.78 2pqa s LYS 145 Cb 0.03 0.04 0.11 0.00 -2.06 0.00 0.00 37.83 35.96 2pqa s LYS 145 CO 0.40 -0.02 0.15 0.42 0.10 0.00 0.00 175.35 176.40 2pqa s ILE 146 N -0.42 1.15 -0.40 3.79 1.01 -1.26 -1.07 121.20 124.00 2pqa s ILE 146 Ca -0.05 -1.91 -0.12 0.00 0.00 0.00 0.00 60.65 58.58 2pqa s ILE 146 Cb -0.03 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.64 2pqa s ILE 146 CO -0.00 -0.76 0.25 -0.04 0.00 0.00 0.00 174.94 174.39 2pqa s MET 147 N 1.08 2.83 0.21 2.79 -1.94 -0.65 -4.93 119.30 118.69 2pqa s MET 147 Ca 0.13 -1.15 -0.32 0.00 -1.71 0.00 0.00 55.69 52.64 2pqa s MET 147 Cb -0.20 -3.83 -0.14 0.00 2.01 0.00 0.00 34.83 32.67 2pqa s MET 147 CO -0.14 -0.78 1.45 -2.30 -0.01 0.00 0.00 175.02 173.25 2pqa n PRO 148 N 5.04 2.03 -2.82 2.03 -0.02 -1.26 -0.76 135.00 139.24 2pqa n PRO 148 Ca -0.11 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2pqa n PRO 148 Cb 0.46 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 2pqa n PRO 148 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pqa s LEU 149 N 0.32 4.05 0.08 2.45 1.43 -0.58 -4.87 118.68 121.56 2pqa s LEU 149 Ca 0.71 0.98 0.19 0.00 -1.03 0.00 0.00 54.13 54.98 2pqa s LEU 149 Cb -0.67 -3.29 -0.12 0.00 0.03 0.00 0.00 46.19 42.14 2pqa s LEU 149 CO 0.46 -0.65 0.81 -0.62 0.23 0.00 0.00 176.35 176.58 2pqa n GLU 150 N 6.31 0.62 -3.94 1.70 -0.58 -1.26 -4.68 120.64 118.81 2pqa n GLU 150 Ca 0.07 0.15 -0.33 0.00 -0.42 0.00 0.00 57.16 56.63 2pqa n GLU 150 Cb 0.47 -1.77 -0.14 0.00 -0.57 0.00 0.00 31.44 29.43 2pqa n GLU 150 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2pqa s ASP 151 N -5.54 4.86 0.00 1.62 -1.08 -1.26 -4.98 116.67 110.30 2pqa s ASP 151 Ca -0.03 -1.76 0.11 0.00 -0.52 0.00 0.00 52.55 50.35 2pqa s ASP 151 Cb 0.09 -1.68 0.55 0.00 -1.46 0.00 0.00 42.92 40.42 2pqa s ASP 151 CO 0.82 -0.35 1.23 0.23 0.52 0.00 0.00 175.17 177.61 2pqa n MET 152 N 4.46 0.17 0.28 4.34 2.81 -1.26 -1.07 117.12 126.85 2pqa n MET 152 Ca -0.05 0.17 0.17 0.00 -1.81 0.00 0.00 57.70 56.18 2pqa n MET 152 Cb 0.42 -1.50 0.68 0.00 -0.71 0.00 0.00 33.22 32.12 2pqa n MET 152 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2pqa h ASN 153 N 0.00 0.00 0.44 7.83 2.35 -1.99 -2.06 115.58 122.16 2pqa h ASN 153 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2pqa h ASN 153 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2pqa h ASN 153 CO 0.00 0.00 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.05 2pqa h GLU 154 N 0.00 0.00 -0.06 0.81 5.08 -1.53 -1.53 114.58 117.35 2pqa h GLU 154 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2pqa h GLU 154 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pqa h GLU 154 CO 0.00 0.40 -0.06 0.35 -1.00 0.00 0.00 179.01 178.71 2pqa h PHE 155 N 0.00 0.17 -0.45 4.33 3.57 -1.54 -0.49 116.94 122.53 2pqa h PHE 155 Ca -0.00 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.53 2pqa h PHE 155 Cb 0.73 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2pqa h PHE 155 CO 0.00 0.59 0.03 1.15 -2.23 0.00 0.00 178.31 177.84 2pqa h THR 156 N -0.30 0.68 -0.48 4.41 2.02 -1.48 -2.41 112.91 115.36 2pqa h THR 156 Ca 0.01 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2pqa h THR 156 Cb 0.56 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2pqa h THR 156 CO 0.01 0.03 0.27 0.74 0.37 0.00 0.00 175.52 176.94 2pqa h THR 157 N 0.14 1.02 -0.96 3.16 2.02 -1.19 -2.31 112.91 114.79 2pqa h THR 157 Ca 0.23 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.33 2pqa h THR 157 Cb 0.32 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 2pqa h THR 157 CO -0.35 0.10 0.61 -0.74 0.37 0.00 0.00 175.52 175.51 2pqa h HIS 158 N 0.53 1.07 -0.49 3.16 6.17 -0.58 -0.53 115.15 124.48 2pqa h HIS 158 Ca 0.20 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.35 2pqa h HIS 158 Cb 0.05 -0.34 -0.04 0.00 2.52 0.00 0.00 27.41 29.60 2pqa h HIS 158 CO -0.08 0.45 0.24 0.82 0.71 0.00 0.00 177.93 180.07 2pqa h ILE 159 N 0.95 0.95 -0.45 6.26 2.04 -1.18 0.40 117.51 126.48 2pqa h ILE 159 Ca 0.46 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 66.04 2pqa h ILE 159 Cb 0.46 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2pqa h ILE 159 CO -0.23 0.09 -0.19 -0.07 0.00 0.00 0.00 178.15 177.75 2pqa h LEU 160 N 0.47 0.90 -0.39 1.44 3.38 -1.23 -0.37 115.31 119.52 2pqa h LEU 160 Ca 0.22 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2pqa h LEU 160 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2pqa h LEU 160 CO -0.16 1.07 0.14 -0.33 0.09 0.00 0.00 178.44 179.25 2pqa h GLU 161 N 0.77 0.59 -0.01 1.13 5.08 -0.56 0.77 114.58 122.35 2pqa h GLU 161 Ca 0.11 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2pqa h GLU 161 Cb 0.73 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2pqa h GLU 161 CO 0.06 0.57 -0.31 0.28 -1.00 0.00 0.00 179.01 178.61 2pqa h VAL 162 N 0.48 0.32 0.19 3.13 2.07 0.08 -0.37 116.25 122.15 2pqa h VAL 162 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2pqa h VAL 162 Cb 0.22 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2pqa h VAL 162 CO -0.01 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.89 2pqa h ILE 163 N -0.46 0.80 -0.75 4.57 2.04 -0.74 -1.93 117.51 121.05 2pqa h ILE 163 Ca 0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 2pqa h ILE 163 Cb 0.55 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2pqa h ILE 163 CO -0.27 0.00 0.26 -1.13 0.00 0.00 0.00 178.15 177.02 2pqa h ASN 164 N -0.26 1.05 -0.97 1.72 -0.73 -0.84 0.19 115.58 115.75 2pqa h ASN 164 Ca -0.02 -0.18 0.02 0.00 1.87 0.00 0.00 56.30 57.99 2pqa h ASN 164 Cb 0.21 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.47 2pqa h ASN 164 CO 0.04 0.95 0.64 0.00 -0.37 0.00 0.00 177.43 178.69 2pqa h ALA 165 N 1.19 1.34 0.00 1.57 0.00 -0.77 -1.24 119.26 121.35 2pqa h ALA 165 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2pqa h ALA 165 Cb 0.26 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2pqa h ALA 165 CO -0.01 0.59 -0.76 0.45 0.00 0.00 0.00 179.25 179.52 2pqa h HIS 166 N 1.27 0.00 -0.73 0.00 3.86 -1.07 -2.31 115.15 116.17 2pqa h HIS 166 Ca 0.37 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.63 2pqa h HIS 166 Cb -0.08 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 2pqa h HIS 166 CO -0.00 0.55 0.44 0.52 0.86 0.00 0.00 177.93 180.30 2pqa h MET 167 N 0.00 0.81 0.71 2.45 2.07 -0.57 -1.98 114.93 118.41 2pqa h MET 167 Ca -0.04 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.50 2pqa h MET 167 Cb 1.46 -0.18 0.01 0.00 -1.87 0.00 0.00 31.60 31.01 2pqa h MET 167 CO 0.07 0.53 -0.34 0.28 1.07 0.00 0.00 176.91 178.52 2pqa h VAL 168 N 0.83 0.23 -0.93 -2.22 2.07 -0.96 -2.97 116.25 112.30 2pqa h VAL 168 Ca 0.31 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.82 2pqa h VAL 168 Cb 0.12 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 2pqa h VAL 168 CO -0.15 0.01 0.55 -0.07 0.02 0.00 0.00 177.57 177.93 2pqa h LEU 169 N -1.07 0.75 -0.81 2.57 3.38 -1.48 -2.45 115.31 116.20 2pqa h LEU 169 Ca -0.10 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.11 2pqa h LEU 169 Cb 0.76 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 2pqa h LEU 169 CO 0.16 0.36 0.32 -1.28 0.09 0.00 0.00 178.44 178.09 2pqa h SER 170 N 0.81 0.28 1.09 -0.43 0.87 -1.20 0.15 113.55 115.12 2pqa h SER 170 Ca 0.49 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2pqa h SER 170 Cb 0.60 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2pqa h SER 170 CO -0.31 0.06 0.00 0.11 -0.53 0.00 0.00 176.83 176.16 2pqa h LYS 171 N 0.42 0.00 0.00 2.24 1.79 -1.34 -3.51 116.57 116.18 2pqa h LYS 171 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 2pqa h LYS 171 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2pqa h LYS 171 CO -0.46 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 177.91