#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxe n GLU 4 N 0.00 1.70 -5.05 3.23 -0.58 1.00 -4.57 120.64 116.38 1xxe n GLU 4 Ca 0.00 0.61 -0.32 0.00 -0.42 0.00 0.00 57.16 57.02 1xxe n GLU 4 Cb 0.00 -2.20 -0.16 0.00 -0.57 0.00 0.00 31.44 28.52 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 5 N -0.43 2.97 0.31 3.49 2.20 -1.26 0.55 119.74 127.57 1xxe s LYS 5 Ca 0.70 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1xxe s LYS 5 Cb -0.72 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1xxe s LYS 5 CO 0.51 0.29 0.14 -0.08 -0.36 0.00 0.00 175.35 175.85 1xxe s THR 6 N 0.09 0.48 0.29 3.43 -1.32 -0.61 -2.04 115.64 115.96 1xxe s THR 6 Ca -0.09 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.15 1xxe s THR 6 Cb -0.15 -2.54 -0.09 0.00 -1.51 0.00 0.00 72.50 68.21 1xxe s THR 6 CO 0.06 0.00 0.88 0.68 -2.21 0.00 0.00 174.62 174.02 1xxe s VAL 7 N -3.56 4.32 0.01 5.08 -7.23 -1.26 0.12 120.40 117.88 1xxe s VAL 7 Ca 0.35 1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 61.99 1xxe s VAL 7 Cb 0.05 -3.97 -0.30 0.00 0.56 0.00 0.00 36.38 32.73 1xxe s VAL 7 CO 0.16 0.17 1.02 0.50 -0.31 0.00 0.00 175.10 176.64 1xxe h LYS 8 N 3.26 0.47 -5.06 4.82 3.64 -0.65 -3.42 116.57 119.62 1xxe h LYS 8 Ca -0.47 -0.66 -0.33 0.00 -1.27 0.00 0.00 60.65 57.91 1xxe h LYS 8 Cb 1.19 0.23 -0.16 0.00 -0.41 0.00 0.00 32.23 33.08 1xxe h LYS 8 CO 0.65 1.29 -0.72 -1.21 -2.27 0.00 0.00 179.45 177.18 1xxe s GLU 9 N -2.81 0.98 0.24 1.90 2.02 -1.26 -4.99 118.70 114.79 1xxe s GLU 9 Ca -0.11 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 53.25 1xxe s GLU 9 Cb 0.03 -0.61 -0.11 0.00 0.10 0.00 0.00 34.13 33.54 1xxe s GLU 9 CO 0.88 0.09 1.53 0.21 0.02 0.00 0.00 175.26 177.98 1xxe s LYS 10 N -3.31 4.20 0.31 1.61 2.36 -1.26 -4.87 119.74 118.79 1xxe s LYS 10 Ca 0.12 2.41 0.10 0.00 -2.55 0.00 0.00 55.97 56.05 1xxe s LYS 10 Cb -0.00 -3.09 -0.06 0.00 -1.05 0.00 0.00 37.83 33.63 1xxe s LYS 10 CO 0.00 -0.54 -0.12 -0.51 1.55 0.00 0.00 175.35 175.73 1xxe s LEU 11 N -0.05 2.65 -0.04 5.43 1.43 -0.61 -4.95 118.68 122.53 1xxe s LEU 11 Ca 0.63 -1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 1xxe s LEU 11 Cb -0.44 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 44.86 1xxe s LEU 11 CO 0.42 -0.15 0.52 -0.94 0.23 0.00 0.00 176.35 176.43 1xxe s SER 12 N -3.54 -0.46 0.24 2.29 1.04 -1.26 -0.23 113.70 111.78 1xxe s SER 12 Ca 0.31 0.48 0.05 0.00 0.48 0.00 0.00 55.95 57.26 1xxe s SER 12 Cb 0.00 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1xxe s SER 12 CO 0.15 -0.52 -0.04 -0.36 0.98 0.00 0.00 173.24 173.46 1xxe s PHE 13 N -1.16 1.70 -0.12 5.02 0.40 -0.49 -4.94 117.98 118.40 1xxe s PHE 13 Ca -0.11 -0.81 -0.08 0.00 -0.60 0.00 0.00 56.93 55.33 1xxe s PHE 13 Cb -0.02 -0.97 0.04 0.00 0.51 0.00 0.00 43.02 42.58 1xxe s PHE 13 CO 0.07 0.11 0.30 -1.83 0.70 0.00 0.00 175.22 174.57 1xxe s GLU 14 N -3.79 0.29 0.00 0.44 1.03 -1.26 -1.25 118.70 114.16 1xxe s GLU 14 Ca 0.28 0.56 0.00 0.00 0.03 0.00 0.00 54.97 55.84 1xxe s GLU 14 Cb 0.05 -0.01 0.00 0.00 -0.80 0.00 0.00 34.13 33.37 1xxe s GLU 14 CO 0.09 -0.13 0.00 0.41 -1.33 0.00 0.00 175.26 174.31 1xxe n GLY 15 N 3.84 1.72 3.88 -3.83 0.00 -0.51 -5.00 105.19 105.29 1xxe n GLY 15 Ca -0.21 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1xxe n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxe s VAL 16 N -2.00 5.02 0.46 1.61 0.11 -1.26 -1.31 120.40 123.04 1xxe s VAL 16 Ca 0.00 0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 1xxe s VAL 16 Cb 0.00 -3.63 -0.08 0.00 -1.53 0.00 0.00 36.38 31.14 1xxe s VAL 16 CO 0.00 0.02 1.06 -0.83 -3.33 0.00 0.00 175.10 172.03 1xxe s GLY 17 N -2.29 2.62 0.15 6.54 0.00 -0.87 -2.08 107.32 111.39 1xxe s GLY 17 Ca 0.43 0.69 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 1xxe s GLY 17 CO 0.22 1.06 1.58 1.19 0.00 0.00 0.00 173.10 177.15 1xxe h ILE 18 N 1.75 1.27 0.16 0.90 2.10 -1.84 -0.93 117.51 120.92 1xxe h ILE 18 Ca -0.49 -1.20 -0.35 0.00 1.08 0.00 0.00 64.86 63.90 1xxe h ILE 18 Cb 1.23 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1xxe h ILE 18 CO 0.60 0.42 -1.81 0.45 -1.08 0.00 0.00 178.15 176.73 1xxe h HIS 19 N 0.77 0.60 -0.03 2.19 -0.00 -1.89 3.36 115.15 120.15 1xxe h HIS 19 Ca 0.13 -0.44 -0.15 0.00 -0.00 0.00 0.00 60.37 59.91 1xxe h HIS 19 Cb 0.63 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1xxe h HIS 19 CO 0.05 1.66 -0.67 1.79 -0.00 0.00 0.00 177.93 180.76 1xxe h THR 20 N 0.09 1.44 -1.01 2.45 1.35 -1.93 -2.27 112.91 113.03 1xxe h THR 20 Ca -0.36 -2.19 -0.35 0.00 -0.55 0.00 0.00 66.41 62.96 1xxe h THR 20 Cb 2.07 2.16 -0.12 0.00 -1.73 0.00 0.00 68.15 70.53 1xxe h THR 20 CO 0.15 0.64 -0.33 0.61 -0.25 0.00 0.00 175.52 176.33 1xxe n GLY 21 N 0.40 1.44 3.59 5.82 0.00 -0.35 -4.67 105.19 111.41 1xxe n GLY 21 Ca -0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1xxe n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xxe s GLU 22 N -3.61 2.15 0.36 1.61 2.56 -1.26 -4.85 118.70 115.66 1xxe s GLU 22 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 54.97 53.62 1xxe s GLU 22 Cb 0.00 -2.28 -0.09 0.00 2.00 0.00 0.00 34.13 33.76 1xxe s GLU 22 CO 0.00 0.48 1.13 -0.47 -0.56 0.00 0.00 175.26 175.85 1xxe s TYR 23 N -1.39 3.26 0.08 5.30 6.14 -1.26 -2.05 117.35 127.43 1xxe s TYR 23 Ca 0.23 1.61 -0.10 0.00 0.64 0.00 0.00 57.07 59.44 1xxe s TYR 23 Cb -0.10 -3.32 0.01 0.00 0.42 0.00 0.00 41.96 38.96 1xxe s TYR 23 CO 0.15 -0.98 0.23 0.45 0.64 0.00 0.00 175.55 176.04 1xxe s SER 24 N -1.10 0.03 0.08 4.32 0.15 -0.42 -4.84 113.70 111.91 1xxe s SER 24 Ca 0.53 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.71 1xxe s SER 24 Cb -0.30 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1xxe s SER 24 CO 0.38 -0.70 -0.10 -0.75 1.20 0.00 0.00 173.24 173.26 1xxe s LYS 25 N -3.48 0.75 0.13 5.44 2.20 -0.78 -1.42 119.74 122.58 1xxe s LYS 25 Ca 0.02 -1.01 0.07 0.00 -0.36 0.00 0.00 55.97 54.69 1xxe s LYS 25 Cb 0.03 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 1xxe s LYS 25 CO -0.09 0.09 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.32 1xxe s LEU 26 N -2.07 2.39 -0.03 5.43 1.43 -0.38 0.03 118.68 125.47 1xxe s LEU 26 Ca -0.00 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1xxe s LEU 26 Cb -0.06 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.52 1xxe s LEU 26 CO 0.00 -0.08 0.03 -0.63 0.23 0.00 0.00 176.35 175.90 1xxe s ILE 27 N -1.90 0.00 -0.17 -0.59 1.01 -0.56 -1.39 121.20 117.60 1xxe s ILE 27 Ca 0.09 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1xxe s ILE 27 Cb -0.06 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 1xxe s ILE 27 CO 0.04 0.12 -0.11 -0.63 0.00 0.00 0.00 174.94 174.36 1xxe s ILE 28 N 1.19 3.00 0.16 2.92 1.01 0.68 0.24 121.20 130.40 1xxe s ILE 28 Ca -0.08 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.02 1xxe s ILE 28 Cb -0.13 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1xxe s ILE 28 CO -0.03 0.49 -0.21 -1.00 0.00 0.00 0.00 174.94 174.20 1xxe s HIS 29 N 0.92 1.95 0.89 3.97 3.76 -0.89 -1.58 115.29 124.32 1xxe s HIS 29 Ca -0.02 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.35 1xxe s HIS 29 Cb -0.15 -1.00 0.13 0.00 1.11 0.00 0.00 32.58 32.67 1xxe s HIS 29 CO -0.01 0.34 1.09 -1.25 -0.85 0.00 0.00 174.74 174.07 1xxe s PRO 30 N -2.53 1.29 0.06 8.40 0.04 -1.26 -1.59 135.00 139.42 1xxe s PRO 30 Ca 0.15 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1xxe s PRO 30 Cb -0.07 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1xxe s PRO 30 CO 0.07 -2.27 0.05 0.39 0.04 0.00 0.00 177.00 175.28 1xxe n GLU 31 N -3.93 0.18 -3.28 4.56 -0.58 -1.26 -4.64 120.64 111.70 1xxe n GLU 31 Ca 0.08 -0.62 -0.32 0.00 -0.42 0.00 0.00 57.16 55.88 1xxe n GLU 31 Cb 0.54 0.49 -0.05 0.00 -0.57 0.00 0.00 31.44 31.85 1xxe n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 32 N -2.26 3.86 0.57 3.49 2.20 -1.26 -4.96 119.74 121.38 1xxe s LYS 32 Ca 0.07 0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 55.91 1xxe s LYS 32 Cb 0.00 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.69 1xxe s LYS 32 CO 0.05 0.23 0.55 0.39 -0.36 0.00 0.00 175.35 176.21 1xxe n GLU 33 N -0.33 0.53 -1.89 4.03 4.71 -1.26 -1.57 120.64 124.86 1xxe n GLU 33 Ca 0.02 0.21 -0.21 0.00 -0.01 0.00 0.00 57.16 57.17 1xxe n GLU 33 Cb 0.53 -1.72 -0.06 0.00 -1.01 0.00 0.00 31.44 29.18 1xxe n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xxe n GLY 34 N 1.76 1.07 0.10 0.62 0.00 -1.26 -4.86 105.19 102.61 1xxe n GLY 34 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1xxe n GLY 34 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xxe h THR 35 N 0.00 1.46 0.00 2.61 2.02 -1.66 -3.51 112.91 113.84 1xxe h THR 35 Ca -0.45 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.30 1xxe h THR 35 Cb 1.35 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 1xxe h THR 35 CO 0.61 0.66 0.00 0.61 0.37 0.00 0.00 175.52 177.76 1xxe n GLY 36 N 1.65 -1.51 3.69 2.16 0.00 -1.26 -4.93 105.19 104.99 1xxe n GLY 36 Ca -0.16 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1xxe n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxe s ILE 37 N -0.06 5.35 0.00 -0.61 -1.09 -1.19 -2.33 121.20 121.27 1xxe s ILE 37 Ca 0.00 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 1xxe s ILE 37 Cb 0.00 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1xxe s ILE 37 CO 0.00 0.36 -0.01 0.00 -1.23 0.00 0.00 174.94 174.06 1xxe s ARG 38 N 0.85 0.07 0.17 2.79 1.70 -1.04 -2.19 118.95 121.29 1xxe s ARG 38 Ca 0.10 -0.09 0.05 0.00 -0.47 0.00 0.00 55.73 55.32 1xxe s ARG 38 Cb -0.13 -0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 1xxe s ARG 38 CO 0.03 0.01 0.16 -0.06 -1.08 0.00 0.00 175.30 174.35 1xxe s PHE 39 N -0.17 3.18 0.00 5.89 0.08 -0.77 -1.55 117.98 124.64 1xxe s PHE 39 Ca -0.02 -0.01 0.04 0.00 0.12 0.00 0.00 56.93 57.07 1xxe s PHE 39 Cb -0.01 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 1xxe s PHE 39 CO -0.00 0.52 -0.12 0.12 -0.10 0.00 0.00 175.22 175.63 1xxe s PHE 40 N -1.77 1.11 -0.29 0.36 2.19 -0.75 0.04 117.98 118.87 1xxe s PHE 40 Ca 0.31 -0.25 -0.22 0.00 0.33 0.00 0.00 56.93 57.10 1xxe s PHE 40 Cb -0.10 -0.70 0.14 0.00 -1.31 0.00 0.00 43.02 41.06 1xxe s PHE 40 CO 0.24 -0.01 1.09 0.21 1.83 0.00 0.00 175.22 178.58 1xxe s LYS 41 N -0.54 0.39 -1.47 10.12 2.20 -0.18 -1.34 119.74 128.92 1xxe s LYS 41 Ca 0.03 0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 56.14 1xxe s LYS 41 Cb -0.06 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1xxe s LYS 41 CO 0.00 -0.06 0.21 -1.71 -0.36 0.00 0.00 175.35 173.43 1xxe n ASN 42 N 2.54 -5.17 -0.99 1.43 2.85 -1.26 -0.14 115.26 114.52 1xxe n ASN 42 Ca -0.14 -0.07 -0.12 0.00 -0.11 0.00 0.00 54.58 54.14 1xxe n ASN 42 Cb 0.56 -4.28 -0.05 0.00 1.24 0.00 0.00 39.78 37.26 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xxe n GLY 43 N -1.10 1.14 3.12 8.20 0.00 -1.26 -4.99 105.19 110.30 1xxe n GLY 43 Ca -0.16 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 1xxe n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxe s VAL 44 N -2.47 1.45 0.11 1.61 1.01 0.80 -5.13 120.40 117.79 1xxe s VAL 44 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1xxe s VAL 44 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1xxe s VAL 44 CO 0.00 0.42 0.51 -0.31 0.00 0.00 0.00 175.10 175.72 1xxe s TYR 45 N 0.22 3.64 -0.31 5.22 1.51 -1.26 -1.01 117.35 125.36 1xxe s TYR 45 Ca -0.08 1.03 -0.02 0.00 -1.01 0.00 0.00 57.07 56.98 1xxe s TYR 45 Cb -0.13 -2.34 0.11 0.00 -0.11 0.00 0.00 41.96 39.49 1xxe s TYR 45 CO 0.03 0.48 0.14 0.42 -1.11 0.00 0.00 175.55 175.52 1xxe s ILE 46 N -1.38 0.24 0.39 2.71 1.01 0.11 -4.90 121.20 119.38 1xxe s ILE 46 Ca 0.35 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.59 1xxe s ILE 46 Cb -0.15 -1.20 -0.12 0.00 0.01 0.00 0.00 42.46 41.00 1xxe s ILE 46 CO 0.18 -0.77 0.94 -2.65 0.00 0.00 0.00 174.94 172.64 1xxe n PRO 47 N 4.86 1.22 -2.99 2.79 -0.02 -1.26 -1.85 135.00 137.75 1xxe n PRO 47 Ca -0.01 0.44 -0.44 0.00 -2.02 0.00 0.00 63.50 61.46 1xxe n PRO 47 Cb 0.41 -1.91 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1xxe n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xxe s ALA 48 N -1.25 4.01 0.05 3.55 0.00 -0.93 -4.82 121.76 122.36 1xxe s ALA 48 Ca 0.62 -3.35 -0.00 0.00 0.00 0.00 0.00 51.96 49.23 1xxe s ALA 48 Cb -0.60 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 18.43 1xxe s ALA 48 CO 0.58 -2.73 -0.04 0.50 0.00 0.00 0.00 175.76 174.07 1xxe s ARG 49 N 1.38 0.54 0.14 0.00 3.52 -1.26 -4.52 118.95 118.75 1xxe s ARG 49 Ca 0.40 -1.02 -0.19 0.00 -0.13 0.00 0.00 55.73 54.79 1xxe s ARG 49 Cb -0.04 0.10 -0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1xxe s ARG 49 CO -0.02 -0.07 1.70 1.12 -0.81 0.00 0.00 175.30 177.21 1xxe h HIS 50 N 3.66 -0.14 0.00 5.12 2.07 -1.93 -0.02 115.15 123.91 1xxe h HIS 50 Ca -0.34 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1xxe h HIS 50 Cb 1.17 0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1xxe h HIS 50 CO 0.58 -0.11 0.60 0.93 -3.07 0.00 0.00 177.93 176.87 1xxe h GLU 51 N -0.00 0.00 -0.45 5.12 5.08 -1.97 2.84 114.58 125.20 1xxe h GLU 51 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xxe h GLU 51 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xxe h GLU 51 CO -0.25 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.95 1xxe n PHE 52 N -2.03 0.59 -1.71 4.33 3.72 -0.02 -4.95 117.46 117.38 1xxe n PHE 52 Ca -0.00 -0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 56.67 1xxe n PHE 52 Cb 0.61 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1xxe n PHE 52 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xxe n VAL 53 N 1.46 0.33 -0.01 -4.37 0.31 0.95 -2.37 118.33 114.64 1xxe n VAL 53 Ca 0.20 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1xxe n VAL 53 Cb 0.59 -1.87 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 1xxe n VAL 53 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xxe n VAL 54 N 3.25 0.09 -3.67 2.52 0.24 -0.98 -4.86 118.33 114.92 1xxe n VAL 54 Ca 0.14 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.34 62.31 1xxe n VAL 54 Cb 0.34 -0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 31.86 1xxe n VAL 54 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xxe s HIS 55 N -2.03 -0.75 -0.11 6.34 5.65 -1.19 -5.05 115.29 118.15 1xxe s HIS 55 Ca -0.01 1.48 0.00 0.00 0.25 0.00 0.00 55.06 56.78 1xxe s HIS 55 Cb 0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 32.58 31.69 1xxe s HIS 55 CO 0.04 -0.44 -0.12 0.95 -0.65 0.00 0.00 174.74 174.52 1xxe s THR 56 N 2.25 3.19 0.00 0.89 -4.23 -1.26 -1.76 115.64 114.72 1xxe s THR 56 Ca -0.04 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1xxe s THR 56 Cb -0.11 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1xxe s THR 56 CO -0.13 0.54 0.00 -0.46 -0.54 0.00 0.00 174.62 174.03 1xxe n ASN 57 N 3.13 0.00 0.09 3.99 6.94 -1.26 -4.84 115.26 123.32 1xxe n ASN 57 Ca -0.18 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.40 1xxe n ASN 57 Cb 0.53 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.07 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1xxe n HIS 58 N 0.00 0.15 -4.25 -2.53 8.25 -1.26 -4.39 115.22 111.19 1xxe n HIS 58 Ca 0.00 0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 1xxe n HIS 58 Cb 0.00 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 30.70 1xxe n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xxe s SER 59 N -2.75 1.16 -0.26 0.41 0.15 -1.26 -5.05 113.70 106.10 1xxe s SER 59 Ca -0.00 -1.22 -0.09 0.00 0.70 0.00 0.00 55.95 55.33 1xxe s SER 59 Cb 0.01 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 1xxe s SER 59 CO 0.04 -0.61 0.13 -0.89 1.20 0.00 0.00 173.24 173.11 1xxe s THR 60 N -3.70 4.91 -0.06 6.45 2.01 -1.26 -4.61 115.64 119.38 1xxe s THR 60 Ca 0.27 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1xxe s THR 60 Cb 0.06 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1xxe s THR 60 CO 0.06 0.31 -0.22 -1.81 -0.69 0.00 0.00 174.62 172.27 1xxe s ASP 61 N 1.52 3.31 0.25 3.53 1.01 -0.72 -1.83 116.67 123.74 1xxe s ASP 61 Ca 0.06 -0.45 0.09 0.00 0.71 0.00 0.00 52.55 52.97 1xxe s ASP 61 Cb -0.15 -0.93 -0.05 0.00 1.01 0.00 0.00 42.92 42.80 1xxe s ASP 61 CO 0.07 0.25 -0.14 -0.76 0.21 0.00 0.00 175.17 174.79 1xxe s LEU 62 N -0.19 2.56 0.00 1.23 1.43 -0.78 -2.31 118.68 120.62 1xxe s LEU 62 Ca -0.02 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1xxe s LEU 62 Cb -0.14 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.27 1xxe s LEU 62 CO 0.03 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1xxe n GLY 63 N -0.51 1.10 3.11 -3.19 0.00 -1.00 -0.03 105.19 104.67 1xxe n GLY 63 Ca -0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1xxe n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xxe s PHE 64 N -1.73 0.07 -1.92 1.61 5.36 0.84 -4.77 117.98 117.43 1xxe s PHE 64 Ca 0.00 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 1xxe s PHE 64 Cb 0.00 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1xxe s PHE 64 CO 0.00 -0.31 0.00 1.63 -1.46 0.00 0.00 175.22 175.08 1xxe n LYS 65 N 1.26 -1.57 -0.49 10.12 5.02 -1.26 -0.85 118.16 130.39 1xxe n LYS 65 Ca -0.22 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1xxe n LYS 65 Cb 0.56 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxe n GLY 66 N -0.63 0.75 3.79 0.72 0.00 -1.26 -5.05 105.19 103.51 1xxe n GLY 66 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1xxe n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxe s GLN 67 N -0.51 3.23 0.04 1.61 -1.52 -0.03 -5.10 119.66 117.37 1xxe s GLN 67 Ca 0.00 -0.26 -0.01 0.00 -1.95 0.00 0.00 55.36 53.14 1xxe s GLN 67 Cb 0.00 -3.01 -0.03 0.00 -0.22 0.00 0.00 33.01 29.75 1xxe s GLN 67 CO 0.00 0.74 -0.02 -0.98 -0.25 0.00 0.00 175.29 174.78 1xxe s ARG 68 N -0.99 0.54 0.02 2.91 1.04 -1.26 -0.11 118.95 121.09 1xxe s ARG 68 Ca 0.14 -1.04 0.03 0.00 -1.04 0.00 0.00 55.73 53.83 1xxe s ARG 68 Cb -0.12 0.19 -0.01 0.00 -2.04 0.00 0.00 34.95 32.97 1xxe s ARG 68 CO 0.04 -0.10 -0.09 0.42 -0.04 0.00 0.00 175.30 175.53 1xxe s ILE 69 N -3.22 0.68 0.21 4.99 1.01 0.95 -4.82 121.20 120.99 1xxe s ILE 69 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.10 1xxe s ILE 69 Cb 0.03 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1xxe s ILE 69 CO -0.07 -0.00 -0.10 -0.54 0.00 0.00 0.00 174.94 174.22 1xxe s LYS 70 N -0.72 2.03 -0.93 2.79 1.02 -0.08 -1.87 119.74 121.97 1xxe s LYS 70 Ca -0.01 -1.36 -0.07 0.00 0.02 0.00 0.00 55.97 54.55 1xxe s LYS 70 Cb -0.06 -2.10 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1xxe s LYS 70 CO 0.00 0.41 0.76 2.41 -0.92 0.00 0.00 175.35 178.01 1xxe n THR 71 N -0.18 -7.62 0.31 2.17 -1.04 -0.76 -2.21 114.28 104.94 1xxe n THR 71 Ca -0.10 -0.64 0.03 0.00 -2.04 0.00 0.00 64.05 61.31 1xxe n THR 71 Cb 0.57 -5.45 0.00 0.00 -1.82 0.00 0.00 70.33 63.62 1xxe n THR 71 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1xxe n VAL 72 N -2.91 0.00 -0.00 12.58 0.24 -1.22 -4.02 118.33 123.00 1xxe n VAL 72 Ca -0.09 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.34 61.76 1xxe n VAL 72 Cb 0.58 1.09 0.25 0.00 -1.47 0.00 0.00 33.84 34.29 1xxe n VAL 72 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1xxe h GLU 73 N 0.82 0.53 0.94 7.34 4.11 -1.89 -2.32 114.58 124.11 1xxe h GLU 73 Ca 0.00 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 1xxe h GLU 73 Cb 0.24 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xxe h GLU 73 CO 0.00 0.62 -0.49 0.45 0.07 0.00 0.00 179.01 179.66 1xxe h HIS 74 N 0.50 -1.28 -0.38 2.06 3.86 -1.93 0.64 115.15 118.61 1xxe h HIS 74 Ca 0.10 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1xxe h HIS 74 Cb 0.45 0.44 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 1xxe h HIS 74 CO 0.02 -0.77 0.20 0.97 0.86 0.00 0.00 177.93 179.21 1xxe h ILE 75 N -1.31 1.00 -0.87 2.45 6.09 -1.87 -1.60 117.51 121.39 1xxe h ILE 75 Ca -0.13 -0.14 0.15 0.00 -1.37 0.00 0.00 64.86 63.37 1xxe h ILE 75 Cb 1.02 0.55 -0.10 0.00 0.47 0.00 0.00 36.82 38.77 1xxe h ILE 75 CO 0.19 0.08 0.46 -0.07 -3.07 0.00 0.00 178.15 175.73 1xxe h LEU 76 N 0.41 0.56 -0.28 2.19 3.38 -1.27 -0.78 115.31 119.53 1xxe h LEU 76 Ca 0.16 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1xxe h LEU 76 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xxe h LEU 76 CO -0.10 0.23 0.17 -1.28 0.09 0.00 0.00 178.44 177.54 1xxe h SER 77 N 0.64 0.27 0.24 -0.43 0.87 0.12 0.78 113.55 116.04 1xxe h SER 77 Ca 0.48 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1xxe h SER 77 Cb 0.70 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1xxe h SER 77 CO -0.37 0.20 -0.22 0.58 -0.53 0.00 0.00 176.83 176.49 1xxe h VAL 78 N 0.34 0.52 -0.68 2.23 2.07 -0.79 -1.74 116.25 118.19 1xxe h VAL 78 Ca 0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.75 1xxe h VAL 78 Cb -0.01 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 1xxe h VAL 78 CO -0.04 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.72 1xxe h LEU 79 N -0.49 0.21 0.20 2.57 3.38 -1.03 -0.56 115.31 119.59 1xxe h LEU 79 Ca -0.01 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xxe h LEU 79 Cb 0.45 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1xxe h LEU 79 CO -0.05 0.10 -0.44 -0.74 0.09 0.00 0.00 178.44 177.40 1xxe h HIS 80 N 0.40 -1.24 -0.53 1.13 2.76 -0.10 0.13 115.15 117.69 1xxe h HIS 80 Ca 0.36 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1xxe h HIS 80 Cb 0.52 0.52 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 1xxe h HIS 80 CO -0.18 -0.55 0.35 -0.07 -1.30 0.00 0.00 177.93 176.17 1xxe h LEU 81 N -0.73 0.58 -0.25 0.26 3.38 -0.75 -0.85 115.31 116.95 1xxe h LEU 81 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xxe h LEU 81 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xxe h LEU 81 CO -0.21 0.41 -0.02 0.18 0.09 0.00 0.00 178.44 178.89 1xxe n LEU 82 N -4.46 0.41 -1.93 1.67 4.77 -0.27 -4.90 117.00 112.29 1xxe n LEU 82 Ca 0.05 -0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1xxe n LEU 82 Cb 0.08 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1xxe n LEU 82 CO 0.35 0.07 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.64 1xxe n GLU 83 N -0.77 -1.45 -2.32 3.23 1.02 0.37 -4.92 120.64 115.80 1xxe n GLU 83 Ca 0.20 1.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.92 1xxe n GLU 83 Cb 0.21 -5.48 -0.02 0.00 -0.02 0.00 0.00 31.44 26.13 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xxe s ILE 84 N -2.87 4.09 0.00 -3.67 -1.09 -0.74 -4.28 121.20 112.64 1xxe s ILE 84 Ca 0.00 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1xxe s ILE 84 Cb 0.00 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1xxe s ILE 84 CO 0.00 -0.18 0.00 0.35 -1.23 0.00 0.00 174.94 173.88 1xxe n THR 85 N 5.59 0.00 -2.70 2.92 -2.24 -0.86 -4.78 114.28 112.21 1xxe n THR 85 Ca 0.15 0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.71 1xxe n THR 85 Cb 0.45 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 1xxe n THR 85 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xxe s ASN 86 N -2.32 6.74 -0.22 3.42 0.02 -1.23 -3.15 114.94 118.20 1xxe s ASN 86 Ca 0.00 0.67 -0.27 0.00 -1.02 0.00 0.00 52.86 52.24 1xxe s ASN 86 Cb 0.00 -2.51 0.10 0.00 0.02 0.00 0.00 41.25 38.85 1xxe s ASN 86 CO 0.00 -0.99 0.85 0.68 0.02 0.00 0.00 177.10 177.66 1xxe s VAL 87 N 3.83 0.00 -0.38 1.60 -7.23 -0.98 -4.07 120.40 113.16 1xxe s VAL 87 Ca 0.43 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.55 1xxe s VAL 87 Cb -0.10 -1.00 0.08 0.00 0.56 0.00 0.00 36.38 35.92 1xxe s VAL 87 CO 0.22 0.00 0.17 -0.89 -0.31 0.00 0.00 175.10 174.29 1xxe s THR 88 N -0.18 3.56 -0.39 5.32 2.01 -0.62 -2.50 115.64 122.84 1xxe s THR 88 Ca -0.01 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.17 1xxe s THR 88 Cb -0.03 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.25 1xxe s THR 88 CO 0.00 -0.47 0.57 -0.63 -0.69 0.00 0.00 174.62 173.41 1xxe s ILE 89 N 1.28 4.93 -0.27 1.82 1.09 -0.60 -2.09 121.20 127.36 1xxe s ILE 89 Ca 0.03 0.26 -0.21 0.00 -1.10 0.00 0.00 60.65 59.63 1xxe s ILE 89 Cb -0.22 -4.07 -0.01 0.00 -1.06 0.00 0.00 42.46 37.10 1xxe s ILE 89 CO -0.01 -0.38 0.65 -1.61 -0.10 0.00 0.00 174.94 173.50 1xxe s GLU 90 N 2.57 4.04 -0.42 2.79 0.41 0.14 -1.81 118.70 126.42 1xxe s GLU 90 Ca 0.21 0.50 -0.15 0.00 -0.41 0.00 0.00 54.97 55.12 1xxe s GLU 90 Cb -0.15 -3.68 0.04 0.00 -1.78 0.00 0.00 34.13 28.56 1xxe s GLU 90 CO 0.15 -0.49 0.31 0.08 -0.49 0.00 0.00 175.26 174.83 1xxe s VAL 91 N 2.59 5.15 -0.51 2.63 1.01 -0.45 -1.49 120.40 129.33 1xxe s VAL 91 Ca 0.27 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 1xxe s VAL 91 Cb -0.15 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1xxe s VAL 91 CO 0.10 -0.38 0.87 -0.63 0.00 0.00 0.00 175.10 175.06 1xxe s ILE 92 N 1.65 4.50 -1.39 2.22 1.09 0.10 -4.67 121.20 124.71 1xxe s ILE 92 Ca 0.04 0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.88 1xxe s ILE 92 Cb -0.20 -4.46 0.00 0.00 -1.06 0.00 0.00 42.46 36.74 1xxe s ILE 92 CO 0.09 -0.96 0.00 0.61 -0.10 0.00 0.00 174.94 174.57 1xxe n GLY 93 N 5.07 0.87 0.00 6.18 0.00 -1.26 -1.86 105.19 114.19 1xxe n GLY 93 Ca 0.02 -2.22 0.10 0.00 0.00 0.00 0.00 46.02 43.91 1xxe n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xxe n ASN 94 N 0.84 0.94 -3.93 1.61 5.15 -1.26 -4.95 115.26 113.65 1xxe n ASN 94 Ca 0.00 -0.94 -0.11 0.00 -0.60 0.00 0.00 54.58 52.93 1xxe n ASN 94 Cb 0.00 1.06 -0.13 0.00 -0.53 0.00 0.00 39.78 40.18 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1xxe s GLU 95 N -3.03 0.18 0.12 1.20 2.12 -1.26 -0.90 118.70 117.12 1xxe s GLU 95 Ca 0.07 -0.27 -0.31 0.00 0.36 0.00 0.00 54.97 54.82 1xxe s GLU 95 Cb 0.16 -0.02 -0.07 0.00 0.26 0.00 0.00 34.13 34.45 1xxe s GLU 95 CO 0.87 -0.00 1.29 0.42 -0.54 0.00 0.00 175.26 177.30 1xxe s ILE 96 N -0.59 3.56 0.10 -3.70 -1.09 -0.94 -4.48 121.20 114.06 1xxe s ILE 96 Ca -0.06 1.17 -0.36 0.00 -2.23 0.00 0.00 60.65 59.17 1xxe s ILE 96 Cb -0.04 -3.75 -0.17 0.00 -1.58 0.00 0.00 42.46 36.92 1xxe s ILE 96 CO -0.00 0.12 1.23 -2.65 -1.23 0.00 0.00 174.94 172.40 1xxe n PRO 97 N 3.55 0.93 0.06 2.79 -0.02 -1.26 -4.47 135.00 136.57 1xxe n PRO 97 Ca 0.09 0.33 -0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1xxe n PRO 97 Cb 0.44 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 31.91 1xxe n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xxe h ILE 98 N 3.04 1.69 0.00 4.25 6.09 -1.73 -3.47 117.51 127.38 1xxe h ILE 98 Ca -0.47 -3.38 0.00 0.00 -1.37 0.00 0.00 64.86 59.64 1xxe h ILE 98 Cb 1.36 2.83 0.00 0.00 0.47 0.00 0.00 36.82 41.48 1xxe h ILE 98 CO 0.73 0.96 0.00 0.18 -3.07 0.00 0.00 178.15 176.95 1xxe n LEU 99 N -3.35 0.00 -0.17 2.19 4.77 -1.26 -0.35 117.00 118.83 1xxe n LEU 99 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1xxe n LEU 99 Cb 0.93 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 42.18 1xxe n LEU 99 CO 0.47 0.00 0.37 -0.67 -1.33 0.00 0.00 177.39 176.23 1xxe n ASP 100 N 8.79 1.07 0.00 -1.43 2.03 -1.26 -4.36 116.55 121.38 1xxe n ASP 100 Ca 0.00 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1xxe n ASP 100 Cb 0.00 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1xxe n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xxe n GLY 101 N 1.44 0.15 0.86 0.27 0.00 0.53 -4.34 105.19 104.11 1xxe n GLY 101 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1xxe n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xxe n SER 102 N 0.00 1.51 -0.14 1.61 3.41 -1.26 -2.11 113.62 116.64 1xxe n SER 102 Ca 0.00 -1.44 0.02 0.00 -0.26 0.00 0.00 58.87 57.19 1xxe n SER 102 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1xxe n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xxe n GLY 103 N 3.51 -0.52 0.33 5.00 0.00 -0.88 -4.69 105.19 107.94 1xxe n GLY 103 Ca -0.01 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.05 1xxe n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xxe h TRP 104 N 0.69 0.80 0.15 1.61 2.91 -1.76 0.11 115.95 120.46 1xxe h TRP 104 Ca 0.00 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1xxe h TRP 104 Cb 0.18 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 1xxe h TRP 104 CO 0.00 -0.09 -0.07 0.93 -1.03 0.00 0.00 178.44 178.17 1xxe h GLU 105 N 0.39 -0.20 -0.38 2.65 3.07 -1.90 0.41 114.58 118.63 1xxe h GLU 105 Ca 0.65 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.50 1xxe h GLU 105 Cb 1.34 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.28 1xxe h GLU 105 CO -0.56 -0.05 0.16 0.74 -1.40 0.00 0.00 179.01 177.89 1xxe h PHE 106 N -0.30 0.57 -0.89 4.33 0.04 -1.52 0.25 116.94 119.42 1xxe h PHE 106 Ca -0.02 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1xxe h PHE 106 Cb 0.24 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1xxe h PHE 106 CO -0.04 0.50 0.55 -0.92 -0.60 0.00 0.00 178.31 177.80 1xxe h TYR 107 N 0.47 1.16 -0.09 -0.55 3.20 -0.69 0.16 116.97 120.64 1xxe h TYR 107 Ca 0.13 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1xxe h TYR 107 Cb 0.16 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1xxe h TYR 107 CO -0.01 0.76 -0.39 0.93 -1.64 0.00 0.00 178.16 177.82 1xxe h GLU 108 N 1.22 0.42 -0.00 1.82 4.39 0.23 -2.24 114.58 120.43 1xxe h GLU 108 Ca 0.32 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1xxe h GLU 108 Cb -0.07 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xxe h GLU 108 CO -0.06 0.97 -0.17 0.00 -1.16 0.00 0.00 179.01 178.59 1xxe h ALA 109 N 0.46 0.02 -0.47 3.43 0.00 -0.81 -3.23 119.26 118.67 1xxe h ALA 109 Ca -0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1xxe h ALA 109 Cb 1.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1xxe h ALA 109 CO 0.08 0.02 0.01 0.82 0.00 0.00 0.00 179.25 180.19 1xxe h ILE 110 N -0.59 1.26 -0.21 0.00 2.04 -0.82 -2.67 117.51 116.52 1xxe h ILE 110 Ca -0.02 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.86 1xxe h ILE 110 Cb 0.93 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1xxe h ILE 110 CO 0.03 0.36 0.17 -0.09 0.00 0.00 0.00 178.15 178.63 1xxe h ARG 111 N 0.67 0.00 0.00 2.37 2.43 -1.52 0.26 114.38 118.59 1xxe h ARG 111 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1xxe h ARG 111 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1xxe h ARG 111 CO 0.02 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.65 1xxe n LYS 112 N -4.20 0.25 -1.21 0.20 4.81 -1.01 -3.57 118.16 113.43 1xxe n LYS 112 Ca 0.02 0.23 -0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1xxe n LYS 112 Cb 0.31 -1.81 0.13 0.00 0.02 0.00 0.00 35.03 33.69 1xxe n LYS 112 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 113 N -2.24 3.00 -4.85 3.14 3.02 0.88 -5.05 115.26 113.17 1xxe n ASN 113 Ca 0.05 -3.80 -0.33 0.00 -0.03 0.00 0.00 54.58 50.47 1xxe n ASN 113 Cb 0.40 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xxe s ILE 114 N -3.75 4.74 0.22 2.41 1.01 -1.00 -0.02 121.20 124.81 1xxe s ILE 114 Ca 0.43 0.88 0.03 0.00 0.00 0.00 0.00 60.65 62.00 1xxe s ILE 114 Cb 0.39 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1xxe s ILE 114 CO -0.03 -0.04 -0.00 -0.22 0.00 0.00 0.00 174.94 174.65 1xxe s LEU 115 N -2.66 2.17 0.01 2.97 2.96 0.33 -4.43 118.68 120.03 1xxe s LEU 115 Ca 0.49 -1.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.26 1xxe s LEU 115 Cb -0.12 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.31 1xxe s LEU 115 CO 0.19 -0.52 -0.24 0.21 -1.32 0.00 0.00 176.35 174.67 1xxe s ASN 116 N -3.29 3.32 0.00 3.68 3.84 -1.26 -1.57 114.94 119.66 1xxe s ASN 116 Ca 0.28 -0.48 0.00 0.00 0.21 0.00 0.00 52.86 52.87 1xxe s ASN 116 Cb 0.06 -0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.34 1xxe s ASN 116 CO 0.08 0.29 0.00 0.00 -2.79 0.00 0.00 177.10 174.68 1xxe n GLN 117 N 2.01 2.73 -0.00 0.43 6.02 0.19 -4.86 117.38 123.90 1xxe n GLN 117 Ca -0.16 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.84 1xxe n GLN 117 Cb 0.52 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.79 1xxe n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xxe n ASN 118 N -0.47 1.32 -4.89 1.08 2.85 -1.26 -4.64 115.26 109.24 1xxe n ASN 118 Ca 0.00 -1.17 -0.31 0.00 -0.11 0.00 0.00 54.58 52.98 1xxe n ASN 118 Cb 0.00 -0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1xxe s ARG 119 N -0.31 3.65 0.02 1.20 3.52 -1.26 -4.88 118.95 120.89 1xxe s ARG 119 Ca 0.04 -0.03 -0.22 0.00 -0.13 0.00 0.00 55.73 55.39 1xxe s ARG 119 Cb 0.03 -2.81 -0.06 0.00 -1.56 0.00 0.00 34.95 30.55 1xxe s ARG 119 CO 0.04 0.44 0.65 -2.00 -0.81 0.00 0.00 175.30 173.62 1xxe s GLU 120 N -2.69 4.37 0.37 5.12 2.12 -1.26 0.33 118.70 127.05 1xxe s GLU 120 Ca 0.42 0.84 -0.25 0.00 0.36 0.00 0.00 54.97 56.35 1xxe s GLU 120 Cb -0.12 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.84 1xxe s GLU 120 CO 0.24 0.38 1.00 0.42 -0.54 0.00 0.00 175.26 176.76 1xxe s ILE 121 N -0.29 3.98 -0.71 -3.70 1.01 -1.26 -4.67 121.20 115.57 1xxe s ILE 121 Ca 0.33 1.55 -0.19 0.00 0.00 0.00 0.00 60.65 62.34 1xxe s ILE 121 Cb -0.19 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.58 1xxe s ILE 121 CO 0.19 0.04 0.84 -0.62 0.00 0.00 0.00 174.94 175.39 1xxe s ASP 122 N -1.62 6.36 0.48 3.58 -1.08 -1.26 -4.72 116.67 118.40 1xxe s ASP 122 Ca 0.55 -1.69 -0.22 0.00 -0.52 0.00 0.00 52.55 50.67 1xxe s ASP 122 Cb -0.20 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 1xxe s ASP 122 CO 0.25 -1.07 1.16 -0.31 0.52 0.00 0.00 175.17 175.72 1xxe s TYR 123 N 2.51 2.83 -0.22 -5.34 1.51 -1.26 -4.68 117.35 112.70 1xxe s TYR 123 Ca 0.18 1.54 -0.10 0.00 -1.01 0.00 0.00 57.07 57.68 1xxe s TYR 123 Cb -0.17 -3.36 -0.05 0.00 -0.11 0.00 0.00 41.96 38.27 1xxe s TYR 123 CO 0.01 -1.53 0.13 0.12 -1.11 0.00 0.00 175.55 173.17 1xxe s PHE 124 N -1.59 3.31 0.03 2.71 2.19 0.00 -5.00 117.98 119.64 1xxe s PHE 124 Ca 0.66 0.18 0.04 0.00 0.33 0.00 0.00 56.93 58.14 1xxe s PHE 124 Cb -0.28 -2.20 -0.02 0.00 -1.31 0.00 0.00 43.02 39.22 1xxe s PHE 124 CO 0.33 0.12 -0.12 0.08 1.83 0.00 0.00 175.22 177.46 1xxe s VAL 125 N 0.76 0.97 0.08 3.12 1.01 -1.26 0.31 120.40 125.39 1xxe s VAL 125 Ca 0.07 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 1xxe s VAL 125 Cb -0.13 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 1xxe s VAL 125 CO 0.02 -0.01 0.83 -0.69 0.00 0.00 0.00 175.10 175.25 1xxe s VAL 126 N -0.80 4.61 -0.15 2.92 1.01 -0.83 -4.93 120.40 122.24 1xxe s VAL 126 Ca 0.00 1.78 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1xxe s VAL 126 Cb -0.07 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1xxe s VAL 126 CO 0.01 0.37 0.15 -0.62 0.00 0.00 0.00 175.10 175.01 1xxe n GLU 127 N 2.64 4.72 -3.87 2.72 1.02 -1.26 -4.24 120.64 122.36 1xxe n GLU 127 Ca -0.01 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1xxe n GLU 127 Cb 0.50 -0.75 -0.13 0.00 -0.02 0.00 0.00 31.44 31.03 1xxe n GLU 127 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1xxe s GLU 128 N -1.52 0.11 0.43 3.49 -1.05 -1.26 -4.81 118.70 114.08 1xxe s GLU 128 Ca 0.01 -0.03 -0.24 0.00 -0.15 0.00 0.00 54.97 54.56 1xxe s GLU 128 Cb 0.03 0.05 -0.08 0.00 -0.44 0.00 0.00 34.13 33.68 1xxe s GLU 128 CO 0.16 -0.02 1.12 -1.25 0.95 0.00 0.00 175.26 176.22 1xxe s PRO 129 N -0.21 3.96 0.03 -4.83 0.04 -1.26 -4.64 135.00 128.10 1xxe s PRO 129 Ca -0.02 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1xxe s PRO 129 Cb -0.02 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1xxe s PRO 129 CO 0.00 -0.36 -0.05 -1.50 0.04 0.00 0.00 177.00 175.13 1xxe s ILE 130 N -1.57 0.31 -0.07 0.56 2.07 -0.88 -4.95 121.20 116.68 1xxe s ILE 130 Ca 0.60 -0.92 -0.01 0.00 -1.41 0.00 0.00 60.65 58.92 1xxe s ILE 130 Cb -0.26 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 41.94 1xxe s ILE 130 CO 0.33 -0.40 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.31 1xxe s ILE 131 N -1.30 0.45 -0.14 2.00 1.01 -1.26 -0.79 121.20 121.17 1xxe s ILE 131 Ca -0.12 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1xxe s ILE 131 Cb -0.09 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1xxe s ILE 131 CO -0.00 0.25 -0.21 0.68 0.00 0.00 0.00 174.94 175.66 1xxe s VAL 132 N 1.64 2.01 -0.01 2.92 -7.23 -0.66 -4.98 120.40 114.09 1xxe s VAL 132 Ca 0.00 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1xxe s VAL 132 Cb -0.13 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1xxe s VAL 132 CO -0.04 0.54 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.38 1xxe s GLU 133 N 0.84 1.69 0.00 4.82 2.12 -1.26 -1.28 118.70 125.63 1xxe s GLU 133 Ca -0.07 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1xxe s GLU 133 Cb -0.15 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1xxe s GLU 133 CO -0.02 0.45 0.00 -3.47 -0.54 0.00 0.00 175.26 171.68 1xxe n ASP 134 N 2.46 0.00 -1.76 -1.70 2.03 -0.84 -4.97 116.55 111.78 1xxe n ASP 134 Ca -0.16 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.98 1xxe n ASP 134 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1xxe n ASP 134 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xxe n GLU 135 N -0.01 -1.53 -0.98 -0.67 -0.58 -1.26 0.02 120.64 115.64 1xxe n GLU 135 Ca 0.00 0.98 0.00 0.00 -0.42 0.00 0.00 57.16 57.72 1xxe n GLU 135 Cb 0.00 -5.39 0.00 0.00 -0.57 0.00 0.00 31.44 25.48 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xxe n GLY 136 N -0.49 0.58 3.87 0.62 0.00 -1.26 -5.01 105.19 103.51 1xxe n GLY 136 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1xxe n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 137 N -0.22 2.43 0.02 1.61 0.52 0.10 -4.98 118.95 118.44 1xxe s ARG 137 Ca 0.00 -1.67 -0.28 0.00 -0.52 0.00 0.00 55.73 53.26 1xxe s ARG 137 Cb 0.00 -2.29 0.07 0.00 0.52 0.00 0.00 34.95 33.24 1xxe s ARG 137 CO 0.00 -0.30 0.65 -1.17 0.02 0.00 0.00 175.30 174.50 1xxe s LEU 138 N -4.16 -0.60 -0.03 2.53 0.20 -1.03 -1.98 118.68 113.61 1xxe s LEU 138 Ca 0.45 0.48 -0.06 0.00 0.69 0.00 0.00 54.13 55.69 1xxe s LEU 138 Cb -0.02 2.53 0.01 0.00 -0.43 0.00 0.00 46.19 48.28 1xxe s LEU 138 CO 0.27 -0.72 0.14 -0.63 -0.29 0.00 0.00 176.35 175.11 1xxe s ILE 139 N -2.02 0.03 -0.02 6.68 1.01 -0.40 -0.92 121.20 125.57 1xxe s ILE 139 Ca -0.07 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1xxe s ILE 139 Cb -0.00 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1xxe s ILE 139 CO 0.03 -0.15 -0.09 -0.75 0.00 0.00 0.00 174.94 173.97 1xxe s LYS 140 N -0.50 0.89 0.06 2.79 2.20 -0.36 -1.65 119.74 123.17 1xxe s LYS 140 Ca -0.06 -0.31 0.08 0.00 -0.36 0.00 0.00 55.97 55.33 1xxe s LYS 140 Cb -0.04 -0.84 -0.03 0.00 -1.51 0.00 0.00 37.83 35.41 1xxe s LYS 140 CO 0.01 0.13 -0.21 0.00 -0.36 0.00 0.00 175.35 174.92 1xxe s ALA 141 N 0.09 2.51 -0.06 3.13 0.00 0.03 -0.18 121.76 127.27 1xxe s ALA 141 Ca -0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1xxe s ALA 141 Cb -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1xxe s ALA 141 CO 0.00 0.56 0.15 -2.00 0.00 0.00 0.00 175.76 174.48 1xxe s GLU 142 N -1.55 0.16 0.45 0.00 2.12 0.92 -2.07 118.70 118.72 1xxe s GLU 142 Ca 0.14 0.25 -0.24 0.00 0.36 0.00 0.00 54.97 55.48 1xxe s GLU 142 Cb -0.10 0.03 -0.09 0.00 0.26 0.00 0.00 34.13 34.22 1xxe s GLU 142 CO 0.05 -0.05 1.17 -0.35 -0.54 0.00 0.00 175.26 175.54 1xxe n PRO 143 N 3.28 1.64 -3.56 4.30 -0.04 -1.26 -0.07 135.00 139.29 1xxe n PRO 143 Ca -0.16 0.59 -0.15 0.00 -0.04 0.00 0.00 63.50 63.74 1xxe n PRO 143 Cb 0.57 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 1xxe n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xxe s SER 144 N -0.69 -0.57 0.00 3.54 0.15 -1.26 -4.46 113.70 110.40 1xxe s SER 144 Ca 0.64 0.73 0.31 0.00 0.70 0.00 0.00 55.95 58.33 1xxe s SER 144 Cb -0.51 0.61 1.69 0.00 -1.71 0.00 0.00 66.02 66.10 1xxe s SER 144 CO 0.56 -0.46 2.11 0.47 1.20 0.00 0.00 173.24 177.12 1xxe n ASP 145 N 1.17 0.22 -4.02 5.45 9.92 -1.26 -3.81 116.55 124.23 1xxe n ASP 145 Ca -0.15 -0.90 -0.16 0.00 -0.53 0.00 0.00 54.79 53.05 1xxe n ASP 145 Cb 0.57 -0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 40.87 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1xxe s THR 146 N -2.13 0.57 -0.23 -3.53 -4.23 -1.26 -4.93 115.64 99.91 1xxe s THR 146 Ca 0.42 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 60.03 1xxe s THR 146 Cb 0.21 -0.54 -0.00 0.00 1.34 0.00 0.00 72.50 73.51 1xxe s THR 146 CO 0.39 -0.05 1.21 -0.22 -0.54 0.00 0.00 174.62 175.41 1xxe s LEU 147 N -0.73 4.06 -0.00 4.79 2.96 -1.26 -3.29 118.68 125.21 1xxe s LEU 147 Ca -0.02 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 1xxe s LEU 147 Cb -0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1xxe s LEU 147 CO 0.00 -0.84 -0.00 -0.70 -1.32 0.00 0.00 176.35 173.49 1xxe s GLU 148 N 3.64 0.06 -0.05 1.98 2.12 -0.15 -2.98 118.70 123.32 1xxe s GLU 148 Ca 0.52 0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.86 1xxe s GLU 148 Cb -0.18 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.13 1xxe s GLU 148 CO 0.15 -0.01 -0.05 0.08 -0.54 0.00 0.00 175.26 174.89 1xxe s VAL 149 N 0.17 0.58 -0.07 3.70 1.01 -0.60 -0.65 120.40 124.53 1xxe s VAL 149 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1xxe s VAL 149 Cb -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1xxe s VAL 149 CO -0.00 0.24 -0.17 -0.89 0.00 0.00 0.00 175.10 174.27 1xxe s THR 150 N 0.96 2.77 -0.06 3.92 2.01 0.25 -0.54 115.64 124.96 1xxe s THR 150 Ca -0.10 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1xxe s THR 150 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.29 1xxe s THR 150 CO 0.00 0.57 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.90 1xxe s TYR 151 N -0.27 1.42 -0.31 4.92 5.04 -0.60 0.62 117.35 128.18 1xxe s TYR 151 Ca 0.01 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 1xxe s TYR 151 Cb -0.13 -1.02 0.07 0.00 0.35 0.00 0.00 41.96 41.23 1xxe s TYR 151 CO 0.03 -0.23 -0.00 -2.00 -1.34 0.00 0.00 175.55 172.01 1xxe s GLU 152 N 0.49 2.19 -0.22 4.97 2.56 0.57 -1.85 118.70 127.41 1xxe s GLU 152 Ca -0.11 -1.44 -0.07 0.00 0.00 0.00 0.00 54.97 53.35 1xxe s GLU 152 Cb -0.14 -3.14 -0.04 0.00 2.00 0.00 0.00 34.13 32.81 1xxe s GLU 152 CO 0.03 -0.70 0.07 0.20 -0.56 0.00 0.00 175.26 174.30 1xxe s GLY 153 N 1.22 1.83 -0.69 -1.50 0.00 -0.51 -1.48 107.32 106.20 1xxe s GLY 153 Ca -0.03 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.64 1xxe s GLY 153 CO -0.04 0.34 0.56 -1.83 0.00 0.00 0.00 173.10 172.13 1xxe s GLU 154 N 1.10 2.98 0.24 2.90 -1.05 -1.26 -1.27 118.70 122.33 1xxe s GLU 154 Ca 0.04 -2.40 -0.13 0.00 -0.15 0.00 0.00 54.97 52.33 1xxe s GLU 154 Cb -0.14 -4.04 -0.08 0.00 -0.44 0.00 0.00 34.13 29.43 1xxe s GLU 154 CO 0.03 -1.23 0.61 -0.06 0.95 0.00 0.00 175.26 175.57 1xxe s PHE 155 N 0.22 3.47 -2.40 4.83 0.40 0.13 -4.92 117.98 119.70 1xxe s PHE 155 Ca 0.16 1.04 0.25 0.00 -0.60 0.00 0.00 56.93 57.78 1xxe s PHE 155 Cb -0.17 -2.38 0.44 0.00 0.51 0.00 0.00 43.02 41.42 1xxe s PHE 155 CO -0.05 0.26 1.38 1.63 0.70 0.00 0.00 175.22 179.14 1xxe n LYS 156 N 0.07 1.60 -0.45 0.44 4.76 -1.26 -3.77 118.16 119.56 1xxe n LYS 156 Ca -0.00 -1.20 -0.10 0.00 -2.87 0.00 0.00 58.31 54.14 1xxe n LYS 156 Cb 0.52 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.32 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xxe n ASN 157 N 0.35 -0.94 0.26 4.39 2.04 -1.26 -4.78 115.26 115.31 1xxe n ASN 157 Ca 0.14 -0.86 0.12 0.00 -0.44 0.00 0.00 54.58 53.54 1xxe n ASN 157 Cb 0.46 -0.35 0.78 0.00 -2.53 0.00 0.00 39.78 38.15 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 1xxe h PHE 158 N -1.72 0.00 -0.56 -2.53 -5.15 -1.65 -1.77 116.94 103.56 1xxe h PHE 158 Ca -0.14 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.66 1xxe h PHE 158 Cb 0.42 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.55 1xxe h PHE 158 CO 0.00 0.00 0.31 -0.07 -2.00 0.00 0.00 178.31 176.55 1xxe h LEU 159 N 0.00 0.49 0.00 2.10 3.38 -1.89 -3.48 115.31 115.91 1xxe h LEU 159 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xxe h LEU 159 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xxe h LEU 159 CO -0.00 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1xxe n GLY 160 N -1.26 0.64 3.62 0.83 0.00 -0.67 -4.86 105.19 103.50 1xxe n GLY 160 Ca 0.05 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1xxe n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 161 N 0.00 2.60 -0.03 1.61 0.52 -1.26 -0.69 118.95 121.71 1xxe s ARG 161 Ca 0.00 -0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 54.33 1xxe s ARG 161 Cb 0.00 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.96 1xxe s ARG 161 CO 0.00 0.60 0.38 -0.65 0.02 0.00 0.00 175.30 175.65 1xxe s GLN 162 N -1.51 0.72 0.06 3.54 -0.21 -0.39 -4.95 119.66 116.92 1xxe s GLN 162 Ca 0.18 -0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.54 1xxe s GLN 162 Cb -0.11 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.19 1xxe s GLN 162 CO 0.09 -0.20 -0.12 -1.59 -2.12 0.00 0.00 175.29 171.35 1xxe s LYS 163 N -1.18 0.72 -0.01 2.91 -2.85 -1.26 -1.42 119.74 116.65 1xxe s LYS 163 Ca -0.12 -0.91 -0.02 0.00 -1.00 0.00 0.00 55.97 53.92 1xxe s LYS 163 Cb -0.04 -0.61 -0.00 0.00 -2.06 0.00 0.00 37.83 35.11 1xxe s LYS 163 CO 0.05 0.13 0.03 0.12 0.10 0.00 0.00 175.35 175.78 1xxe s PHE 164 N -1.43 0.02 -0.08 1.78 2.19 -0.77 -4.99 117.98 114.70 1xxe s PHE 164 Ca -0.04 -0.04 0.03 0.00 0.33 0.00 0.00 56.93 57.22 1xxe s PHE 164 Cb -0.09 -0.03 0.01 0.00 -1.31 0.00 0.00 43.02 41.59 1xxe s PHE 164 CO 0.01 -0.07 -0.18 0.99 1.83 0.00 0.00 175.22 177.79 1xxe s THR 165 N -0.38 1.62 -0.19 0.12 2.01 -1.26 -1.56 115.64 116.00 1xxe s THR 165 Ca -0.04 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 1xxe s THR 165 Cb -0.03 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 1xxe s THR 165 CO -0.00 0.46 0.16 0.12 -0.69 0.00 0.00 174.62 174.67 1xxe s PHE 166 N 0.46 3.43 0.10 4.92 5.36 0.30 -4.94 117.98 127.62 1xxe s PHE 166 Ca -0.16 0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.27 1xxe s PHE 166 Cb -0.17 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1xxe s PHE 166 CO 0.06 0.32 -0.17 0.08 -1.46 0.00 0.00 175.22 174.05 1xxe s VAL 167 N 0.27 1.47 -0.18 3.12 1.01 -1.26 -1.56 120.40 123.25 1xxe s VAL 167 Ca 0.10 -1.53 -0.33 0.00 0.00 0.00 0.00 61.98 60.21 1xxe s VAL 167 Cb -0.11 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 1xxe s VAL 167 CO -0.01 -0.20 2.02 -0.62 0.00 0.00 0.00 175.10 176.30 1xxe n GLU 168 N 0.98 1.83 0.00 2.72 1.02 -1.16 -1.44 120.64 124.59 1xxe n GLU 168 Ca -0.19 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1xxe n GLU 168 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1xxe n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 169 N 5.20 1.05 1.06 0.62 0.00 -1.26 -4.97 105.19 106.89 1xxe n GLY 169 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.36 1xxe n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 170 N 0.00 1.31 -0.05 1.61 3.02 -0.52 -4.83 115.26 115.80 1xxe n ASN 170 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 1xxe n ASN 170 Cb 0.00 -0.40 0.30 0.00 -0.61 0.00 0.00 39.78 39.07 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1xxe h GLU 171 N 0.96 0.63 0.00 3.52 5.08 -1.94 -2.35 114.58 120.48 1xxe h GLU 171 Ca -0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1xxe h GLU 171 Cb 1.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1xxe h GLU 171 CO 0.05 0.56 0.24 0.39 -1.00 0.00 0.00 179.01 179.25 1xxe n GLU 172 N -4.34 0.10 0.00 2.33 -0.58 -1.26 -0.27 120.64 116.62 1xxe n GLU 172 Ca 0.03 0.57 0.12 0.00 -0.42 0.00 0.00 57.16 57.46 1xxe n GLU 172 Cb 0.18 -2.06 0.11 0.00 -0.57 0.00 0.00 31.44 29.10 1xxe n GLU 172 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xxe n GLU 173 N -2.07 1.24 -0.02 3.49 1.02 -0.88 -4.30 120.64 119.12 1xxe n GLU 173 Ca -0.01 -0.97 0.03 0.00 -0.02 0.00 0.00 57.16 56.19 1xxe n GLU 173 Cb 0.27 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xxe n ILE 174 N -0.03 1.23 -0.05 -3.67 -5.35 0.62 -4.67 119.36 107.44 1xxe n ILE 174 Ca 0.11 -1.32 -0.04 0.00 -0.27 0.00 0.00 62.75 61.23 1xxe n ILE 174 Cb 0.45 0.31 -0.09 0.00 -1.74 0.00 0.00 39.64 38.57 1xxe n ILE 174 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1xxe n VAL 175 N -0.72 0.65 1.32 7.28 0.24 -1.20 -4.49 118.33 121.41 1xxe n VAL 175 Ca 0.04 -0.46 0.12 0.00 -2.04 0.00 0.00 64.34 62.00 1xxe n VAL 175 Cb 0.35 -0.52 0.43 0.00 -1.47 0.00 0.00 33.84 32.63 1xxe n VAL 175 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xxe n LEU 176 N -2.34 1.62 -4.72 1.34 4.77 -1.26 -1.97 117.00 114.43 1xxe n LEU 176 Ca -0.16 -0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 54.78 1xxe n LEU 176 Cb 0.78 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1xxe n LEU 176 CO 0.25 0.31 0.65 0.00 -1.33 0.00 0.00 177.39 177.28 1xxe s ALA 177 N -1.87 3.22 0.19 -1.18 0.00 -1.26 -4.87 121.76 116.00 1xxe s ALA 177 Ca 0.35 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1xxe s ALA 177 Cb 0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1xxe s ALA 177 CO 0.29 -0.09 0.13 1.03 0.00 0.00 0.00 175.76 177.12 1xxe s ARG 178 N 0.37 2.82 0.82 0.00 0.52 -1.26 -4.30 118.95 117.92 1xxe s ARG 178 Ca 0.48 -0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 54.58 1xxe s ARG 178 Cb -0.22 -2.57 0.06 0.00 0.52 0.00 0.00 34.95 32.74 1xxe s ARG 178 CO 0.29 0.45 1.01 -2.37 0.02 0.00 0.00 175.30 174.70 1xxe n THR 179 N -0.58 1.71 -4.15 0.02 5.66 -0.90 -4.80 114.28 111.24 1xxe n THR 179 Ca -0.08 -0.23 -0.10 0.00 -3.05 0.00 0.00 64.05 60.59 1xxe n THR 179 Cb 0.56 -1.06 -0.10 0.00 -1.55 0.00 0.00 70.33 68.18 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N -2.14 0.91 0.15 1.09 -0.71 -1.26 -2.32 117.98 113.70 1xxe s PHE 180 Ca 0.70 -1.25 -0.20 0.00 -1.04 0.00 0.00 56.93 55.15 1xxe s PHE 180 Cb -0.29 -0.48 0.05 0.00 -1.21 0.00 0.00 43.02 41.09 1xxe s PHE 180 CO 0.54 -0.55 0.51 0.00 -1.34 0.00 0.00 175.22 174.38 1xxe s PHE 182 N -3.78 3.36 0.59 0.00 0.08 -1.26 -0.40 117.98 116.57 1xxe s PHE 182 Ca 0.02 0.27 0.36 0.00 0.12 0.00 0.00 56.93 57.70 1xxe s PHE 182 Cb 0.00 -1.78 2.02 0.00 -0.57 0.00 0.00 43.02 42.69 1xxe s PHE 182 CO -0.12 0.58 2.28 0.38 -0.10 0.00 0.00 175.22 178.24 1xxe h ASP 183 N 4.20 0.00 0.06 1.36 2.03 -1.82 -1.77 116.42 120.48 1xxe h ASP 183 Ca -0.50 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.56 1xxe h ASP 183 Cb 1.19 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.70 1xxe h ASP 183 CO 0.63 0.01 -0.94 4.11 -1.03 0.00 0.00 179.24 182.02 1xxe h TRP 184 N 0.00 0.92 0.00 4.15 0.09 -1.94 -3.25 115.95 115.92 1xxe h TRP 184 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 58.89 58.51 1xxe h TRP 184 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 29.16 29.18 1xxe h TRP 184 CO 0.00 1.30 -0.58 -0.85 0.09 0.00 0.00 178.44 178.40 1xxe n GLU 185 N -3.85 0.00 -0.04 0.12 0.28 -1.03 -4.19 120.64 111.93 1xxe n GLU 185 Ca -0.09 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.84 1xxe n GLU 185 Cb 0.83 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.18 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1xxe h ILE 186 N 0.00 0.61 -0.61 3.84 2.04 -1.36 0.13 117.51 122.16 1xxe h ILE 186 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1xxe h ILE 186 Cb 0.50 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 1xxe h ILE 186 CO 0.00 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 177.98 1xxe h GLU 187 N -0.11 0.30 0.16 2.37 5.08 -1.73 0.35 114.58 121.00 1xxe h GLU 187 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xxe h GLU 187 Cb 0.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xxe h GLU 187 CO -0.29 0.20 -0.16 1.25 -1.00 0.00 0.00 179.01 179.00 1xxe h HIS 188 N 0.30 -0.42 -0.73 4.33 2.76 -1.39 0.73 115.15 120.74 1xxe h HIS 188 Ca 0.32 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.63 1xxe h HIS 188 Cb 0.45 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.53 1xxe h HIS 188 CO -0.22 -0.24 0.49 0.82 -1.30 0.00 0.00 177.93 177.47 1xxe h ILE 189 N -0.35 0.80 0.00 6.26 2.04 0.53 0.23 117.51 127.03 1xxe h ILE 189 Ca 0.00 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 1xxe h ILE 189 Cb 0.33 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1xxe h ILE 189 CO -0.04 0.07 -0.72 0.11 0.00 0.00 0.00 178.15 177.57 1xxe h LYS 190 N 0.40 0.00 0.00 2.37 1.79 0.12 -2.33 116.57 118.92 1xxe h LYS 190 Ca 0.36 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.73 1xxe h LYS 190 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 1xxe h LYS 190 CO -0.11 0.72 -0.47 0.87 -1.08 0.00 0.00 179.45 179.38 1xxe h LYS 191 N 0.00 0.00 -0.13 3.15 1.79 0.37 -2.66 116.57 119.10 1xxe h LYS 191 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1xxe h LYS 191 Cb 1.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1xxe h LYS 191 CO 0.09 0.47 0.00 1.33 -1.08 0.00 0.00 179.45 180.26 1xxe n VAL 192 N -3.54 0.16 -1.68 0.50 0.24 -0.64 -4.84 118.33 108.53 1xxe n VAL 192 Ca -0.00 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1xxe n VAL 192 Cb 0.58 0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.01 1xxe n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxe n GLY 193 N 0.69 0.49 3.45 7.63 0.00 -1.00 -5.03 105.19 111.42 1xxe n GLY 193 Ca 0.04 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1xxe n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 194 N -1.84 2.51 0.00 0.99 1.43 -0.88 -4.73 118.68 116.16 1xxe s LEU 194 Ca 0.00 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1xxe s LEU 194 Cb 0.00 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1xxe s LEU 194 CO 0.00 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1xxe n GLY 195 N -0.16 0.43 0.27 -3.19 0.00 -1.24 -3.72 105.19 97.57 1xxe n GLY 195 Ca -0.09 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.14 1xxe n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe h LYS 196 N 0.00 0.00 -0.01 1.61 1.57 -1.15 -2.32 116.57 116.27 1xxe h LYS 196 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xxe h LYS 196 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xxe h LYS 196 CO 0.00 0.07 -0.58 0.41 -0.57 0.00 0.00 179.45 178.78 1xxe n GLY 197 N -0.16 -0.24 3.70 3.86 0.00 1.09 -4.63 105.19 108.82 1xxe n GLY 197 Ca -0.00 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 1xxe n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxe n GLY 198 N 1.37 1.34 3.18 -0.02 0.00 0.32 -4.69 105.19 106.69 1xxe n GLY 198 Ca 0.07 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.61 1xxe n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 199 N 0.98 0.28 0.32 1.61 1.04 -1.26 -4.99 113.70 111.68 1xxe s SER 199 Ca 0.75 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1xxe s SER 199 Cb -0.57 0.31 0.54 0.00 0.10 0.00 0.00 66.02 66.39 1xxe s SER 199 CO 0.36 -0.73 1.85 -0.07 0.98 0.00 0.00 173.24 175.63 1xxe h LEU 200 N 2.86 0.56 -0.74 2.42 3.38 -1.94 1.48 115.31 123.32 1xxe h LEU 200 Ca -0.34 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xxe h LEU 200 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xxe h LEU 200 CO 0.58 0.62 0.00 0.50 0.09 0.00 0.00 178.44 180.23 1xxe h LYS 201 N 0.57 0.00 0.00 1.13 3.64 -1.95 -3.18 116.57 116.78 1xxe h LYS 201 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xxe h LYS 201 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1xxe h LYS 201 CO 0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1xxe n ASN 202 N -2.66 1.21 -3.56 4.20 3.02 -0.73 -4.59 115.26 112.14 1xxe n ASN 202 Ca 0.02 -1.49 -0.12 0.00 -0.03 0.00 0.00 54.58 52.97 1xxe n ASN 202 Cb 0.33 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.39 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxe s THR 203 N -0.49 -0.50 -0.34 3.41 2.01 0.50 -3.93 115.64 116.30 1xxe s THR 203 Ca 0.00 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1xxe s THR 203 Cb 0.00 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1xxe s THR 203 CO 0.00 0.00 1.31 -0.22 -0.69 0.00 0.00 174.62 175.02 1xxe s LEU 204 N 2.48 3.80 -0.21 4.42 2.96 -0.98 -4.18 118.68 126.97 1xxe s LEU 204 Ca 0.04 1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.93 1xxe s LEU 204 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1xxe s LEU 204 CO -0.12 -1.16 0.09 -0.69 -1.32 0.00 0.00 176.35 173.14 1xxe s VAL 205 N 4.59 4.83 -0.05 1.68 1.01 -1.26 -0.65 120.40 130.56 1xxe s VAL 205 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1xxe s VAL 205 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1xxe s VAL 205 CO 0.26 0.41 -0.02 -0.76 0.00 0.00 0.00 175.10 174.99 1xxe s LEU 206 N 0.77 3.44 -0.12 3.92 1.43 0.47 -2.59 118.68 126.00 1xxe s LEU 206 Ca 0.05 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1xxe s LEU 206 Cb -0.13 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1xxe s LEU 206 CO 0.02 0.34 0.23 -0.83 0.23 0.00 0.00 176.35 176.34 1xxe s GLY 207 N -1.11 2.21 0.65 -3.19 0.00 0.83 -2.29 107.32 104.42 1xxe s GLY 207 Ca 0.15 -0.52 0.07 0.00 0.00 0.00 0.00 44.72 44.43 1xxe s GLY 207 CO 0.05 0.02 1.08 1.70 0.00 0.00 0.00 173.10 175.96 1xxe h LYS 208 N 5.66 0.00 0.00 2.90 3.64 -1.98 0.44 116.57 127.22 1xxe h LYS 208 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xxe h LYS 208 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1xxe h LYS 208 CO 0.66 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 174.37 1xxe n ASP 209 N -2.71 0.00 -3.78 4.20 -0.08 -1.26 -1.88 116.55 111.05 1xxe n ASP 209 Ca 0.06 -1.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.24 1xxe n ASP 209 Cb 1.15 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.54 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1xxe s LYS 210 N 0.00 0.85 -0.22 -0.67 1.02 0.14 -5.01 119.74 115.86 1xxe s LYS 210 Ca 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 55.97 55.18 1xxe s LYS 210 Cb 0.00 0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 1xxe s LYS 210 CO 0.00 -0.28 0.15 0.08 -0.92 0.00 0.00 175.35 174.38 1xxe s VAL 211 N -3.22 5.38 -0.06 3.17 1.01 -1.26 0.29 120.40 125.71 1xxe s VAL 211 Ca -0.00 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 1xxe s VAL 211 Cb 0.02 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 1xxe s VAL 211 CO -0.08 0.38 0.79 1.88 0.00 0.00 0.00 175.10 178.07 1xxe h TYR 212 N 7.20 -0.21 -1.28 5.22 -1.99 -1.84 -3.43 116.97 120.63 1xxe h TYR 212 Ca -0.39 -0.01 -0.66 0.00 2.00 0.00 0.00 58.73 59.68 1xxe h TYR 212 Cb 1.16 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 1xxe h TYR 212 CO 0.64 0.19 1.42 0.09 -0.00 0.00 0.00 178.16 180.50 1xxe n ASN 213 N -4.92 2.37 0.06 3.88 5.03 -1.26 -4.75 115.26 115.67 1xxe n ASN 213 Ca -0.07 0.39 0.03 0.00 0.87 0.00 0.00 54.58 55.80 1xxe n ASN 213 Cb 0.25 -1.32 0.17 0.00 -1.02 0.00 0.00 39.78 37.86 1xxe n ASN 213 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1xxe n PRO 214 N 8.25 0.04 0.00 3.52 -0.02 -1.26 -0.15 135.00 145.38 1xxe n PRO 214 Ca 0.39 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.46 1xxe n PRO 214 Cb 0.27 -1.80 0.52 0.00 -0.02 0.00 0.00 33.50 32.48 1xxe n PRO 214 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xxe n GLU 215 N -1.66 0.43 0.00 -0.52 2.13 -1.26 -5.03 120.64 114.72 1xxe n GLU 215 Ca -0.00 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1xxe n GLU 215 Cb 0.17 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxe n GLY 216 N 1.37 -0.74 3.79 8.31 0.00 0.79 -4.76 105.19 113.96 1xxe n GLY 216 Ca 0.11 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1xxe n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 217 N 0.00 4.41 0.22 0.99 1.43 -1.26 -4.93 118.68 119.54 1xxe s LEU 217 Ca 0.00 1.68 0.23 0.00 -1.03 0.00 0.00 54.13 55.00 1xxe s LEU 217 Cb 0.00 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.53 1xxe s LEU 217 CO 0.00 0.03 1.09 -0.09 0.23 0.00 0.00 176.35 177.61 1xxe h ARG 218 N 3.52 0.00 -3.59 1.70 9.65 -2.00 -3.46 114.38 120.20 1xxe h ARG 218 Ca -0.47 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.20 1xxe h ARG 218 Cb 1.20 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 29.51 1xxe h ARG 218 CO 0.65 0.00 -0.64 0.71 2.80 0.00 0.00 179.97 183.50 1xxe s TYR 219 N -3.35 -0.05 0.20 2.20 2.02 -1.26 -4.97 117.35 112.14 1xxe s TYR 219 Ca 0.00 0.12 0.22 0.00 -0.37 0.00 0.00 57.07 57.04 1xxe s TYR 219 Cb 0.09 0.01 1.19 0.00 -0.40 0.00 0.00 41.96 42.85 1xxe s TYR 219 CO 0.78 -0.06 1.62 1.05 -1.57 0.00 0.00 175.55 177.38 1xxe h GLU 220 N 5.88 0.00 -0.52 -0.62 9.09 -2.04 -0.28 114.58 126.09 1xxe h GLU 220 Ca -0.25 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 58.84 1xxe h GLU 220 Cb 1.21 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.90 1xxe h GLU 220 CO 0.46 0.00 -1.05 0.09 0.05 0.00 0.00 179.01 178.56 1xxe n ASN 221 N -2.40 2.36 0.25 3.06 4.13 -1.26 -4.94 115.26 116.45 1xxe n ASN 221 Ca -0.01 -2.44 -0.16 0.00 1.68 0.00 0.00 54.58 53.64 1xxe n ASN 221 Cb 0.26 -0.45 -0.08 0.00 -1.54 0.00 0.00 39.78 37.97 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1xxe h GLU 222 N 2.52 -0.75 -0.73 3.52 4.81 -1.42 0.35 114.58 122.88 1xxe h GLU 222 Ca -0.02 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1xxe h GLU 222 Cb 1.33 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.84 1xxe h GLU 222 CO 0.32 -0.50 0.48 -1.00 -0.73 0.00 0.00 179.01 177.59 1xxe h PRO 223 N -0.78 0.92 0.00 0.92 0.13 -1.87 -0.99 132.00 130.33 1xxe h PRO 223 Ca -0.03 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 64.85 1xxe h PRO 223 Cb 0.69 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1xxe h PRO 223 CO -0.04 0.61 -1.00 -0.39 -0.23 0.00 0.00 178.00 176.95 1xxe h VAL 224 N 0.94 1.24 -0.60 1.56 -1.51 -1.92 -2.67 116.25 113.30 1xxe h VAL 224 Ca 0.28 -2.85 -0.07 0.00 -1.23 0.00 0.00 66.70 62.82 1xxe h VAL 224 Cb -0.03 2.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 1xxe h VAL 224 CO -0.07 0.71 0.08 0.03 -1.23 0.00 0.00 177.57 177.09 1xxe h ARG 225 N 0.00 0.99 -0.58 5.19 3.08 0.29 -1.79 114.38 121.56 1xxe h ARG 225 Ca -0.06 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.64 1xxe h ARG 225 Cb 1.68 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 1xxe h ARG 225 CO 0.10 0.94 0.08 1.25 -1.07 0.00 0.00 179.97 181.27 1xxe h HIS 226 N 0.90 1.04 -0.69 3.04 2.76 -1.21 -0.29 115.15 120.70 1xxe h HIS 226 Ca 0.18 -0.15 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1xxe h HIS 226 Cb 0.44 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 1xxe h HIS 226 CO 0.03 0.91 0.38 -0.22 -1.30 0.00 0.00 177.93 177.73 1xxe h LYS 227 N 0.87 0.68 -0.04 5.26 1.63 -1.09 0.38 116.57 124.26 1xxe h LYS 227 Ca 0.17 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1xxe h LYS 227 Cb 0.44 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1xxe h LYS 227 CO 0.01 0.45 -0.01 0.28 -3.45 0.00 0.00 179.45 176.73 1xxe h VAL 228 N 0.70 1.29 -0.83 2.00 2.07 -0.98 0.28 116.25 120.77 1xxe h VAL 228 Ca 0.31 -0.87 0.17 0.00 0.82 0.00 0.00 66.70 67.14 1xxe h VAL 228 Cb 0.21 1.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.67 1xxe h VAL 228 CO -0.19 0.23 0.36 0.15 0.02 0.00 0.00 177.57 178.14 1xxe h PHE 229 N -0.27 0.60 -0.12 1.57 3.57 -0.49 0.14 116.94 121.94 1xxe h PHE 229 Ca 0.01 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.36 1xxe h PHE 229 Cb 0.38 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xxe h PHE 229 CO 0.05 0.04 -0.69 -0.44 -2.23 0.00 0.00 178.31 175.03 1xxe h ASP 230 N 0.46 0.62 -0.74 0.41 5.19 -0.76 -2.59 116.42 119.00 1xxe h ASP 230 Ca 0.48 -0.38 0.10 0.00 -0.62 0.00 0.00 57.03 56.61 1xxe h ASP 230 Cb 0.81 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.09 1xxe h ASP 230 CO -0.45 1.13 0.49 0.25 -3.12 0.00 0.00 179.24 177.54 1xxe h LEU 231 N 0.37 0.57 -0.06 1.55 5.85 0.14 -0.01 115.31 123.72 1xxe h LEU 231 Ca -0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1xxe h LEU 231 Cb 1.27 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1xxe h LEU 231 CO 0.13 0.34 -0.10 0.40 -0.34 0.00 0.00 178.44 178.87 1xxe h ILE 232 N 0.63 1.40 -1.10 4.05 2.04 -1.15 -2.05 117.51 121.32 1xxe h ILE 232 Ca 0.34 -1.35 0.31 0.00 1.00 0.00 0.00 64.86 65.16 1xxe h ILE 232 Cb 0.50 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.66 1xxe h ILE 232 CO -0.12 0.37 0.77 1.23 0.00 0.00 0.00 178.15 180.40 1xxe h GLY 233 N -0.29 0.45 1.73 5.37 0.00 -0.67 0.77 103.07 110.43 1xxe h GLY 233 Ca 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1xxe h GLY 233 CO 0.02 -0.06 -0.89 -0.55 0.00 0.00 0.00 176.54 175.07 1xxe h ASP 234 N 0.14 0.00 1.58 0.19 3.32 -0.84 -3.27 116.42 117.54 1xxe h ASP 234 Ca 0.56 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.56 1xxe h ASP 234 Cb 1.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.49 1xxe h ASP 234 CO -0.11 0.68 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.77 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.12 -2.99 115.31 117.37 1xxe h LEU 235 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xxe h LEU 235 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1xxe h LEU 235 CO 0.08 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1xxe n TYR 236 N -3.19 0.00 -0.12 1.13 9.36 -0.27 -2.94 117.16 121.14 1xxe n TYR 236 Ca 0.02 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.49 1xxe n TYR 236 Cb 0.59 -0.38 0.69 0.00 -0.63 0.00 0.00 39.34 39.61 1xxe n TYR 236 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1xxe h LEU 237 N 0.00 0.04 -1.56 2.98 3.38 -1.68 0.79 115.31 119.26 1xxe h LEU 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 237 Cb 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xxe h LEU 237 CO 0.00 0.02 0.08 -0.07 0.09 0.00 0.00 178.44 178.56 1xxe h LEU 238 N 0.04 0.00 0.00 1.67 3.38 -1.80 -3.28 115.31 115.32 1xxe h LEU 238 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1xxe h LEU 238 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1xxe h LEU 238 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1xxe n GLY 239 N -1.26 0.48 3.40 0.83 0.00 0.27 -5.01 105.19 103.90 1xxe n GLY 239 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1xxe n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 240 N -2.42 -0.46 0.19 1.61 1.04 -1.25 -4.85 113.70 107.57 1xxe s SER 240 Ca 0.00 0.42 -0.33 0.00 0.48 0.00 0.00 55.95 56.52 1xxe s SER 240 Cb 0.00 0.45 -0.14 0.00 0.10 0.00 0.00 66.02 66.42 1xxe s SER 240 CO 0.00 -0.56 1.44 -0.81 0.98 0.00 0.00 173.24 174.29 1xxe n PRO 241 N 1.01 1.90 -3.77 4.02 -0.04 -1.26 -4.69 135.00 132.16 1xxe n PRO 241 Ca -0.20 0.68 -0.37 0.00 -0.04 0.00 0.00 63.50 63.57 1xxe n PRO 241 Cb 0.57 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1xxe n PRO 241 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xxe s VAL 242 N 0.34 5.40 -0.06 0.52 1.01 -1.26 -0.82 120.40 125.53 1xxe s VAL 242 Ca 0.74 0.34 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1xxe s VAL 242 Cb -0.71 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1xxe s VAL 242 CO 0.45 0.57 -0.14 -0.75 0.00 0.00 0.00 175.10 175.23 1xxe s LYS 243 N -0.72 1.77 0.00 2.72 2.20 0.15 -4.74 119.74 121.12 1xxe s LYS 243 Ca 0.16 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1xxe s LYS 243 Cb -0.13 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 1xxe s LYS 243 CO 0.05 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1xxe n GLY 244 N 3.64 -1.59 3.30 5.54 0.00 -1.21 -1.96 105.19 112.91 1xxe n GLY 244 Ca -0.21 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 1xxe n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxe s LYS 245 N -1.78 2.74 0.09 1.61 2.20 0.90 -0.98 119.74 124.53 1xxe s LYS 245 Ca 0.00 -1.10 0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1xxe s LYS 245 Cb 0.00 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1xxe s LYS 245 CO 0.00 -0.62 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.23 1xxe s PHE 246 N 1.44 2.79 0.03 4.03 0.40 0.18 -0.06 117.98 126.79 1xxe s PHE 246 Ca -0.00 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1xxe s PHE 246 Cb -0.19 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1xxe s PHE 246 CO 0.03 0.42 -0.14 -0.47 0.70 0.00 0.00 175.22 175.77 1xxe s TYR 247 N -1.20 1.20 -0.06 0.36 6.14 0.74 -0.58 117.35 123.96 1xxe s TYR 247 Ca 0.21 -0.32 -0.02 0.00 0.64 0.00 0.00 57.07 57.58 1xxe s TYR 247 Cb -0.11 -0.73 0.04 0.00 0.42 0.00 0.00 41.96 41.58 1xxe s TYR 247 CO 0.14 0.02 0.11 0.45 0.64 0.00 0.00 175.55 176.91 1xxe s SER 248 N -0.93 0.12 -0.27 4.32 0.15 0.20 -1.23 113.70 116.06 1xxe s SER 248 Ca 0.02 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 1xxe s SER 248 Cb -0.07 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1xxe s SER 248 CO 0.01 -0.16 0.03 0.12 1.20 0.00 0.00 173.24 174.44 1xxe s PHE 249 N 1.36 3.11 -1.23 3.44 2.19 -0.09 -0.32 117.98 126.44 1xxe s PHE 249 Ca -0.07 -1.11 -0.13 0.00 0.33 0.00 0.00 56.93 55.95 1xxe s PHE 249 Cb -0.12 -2.19 -0.00 0.00 -1.31 0.00 0.00 43.02 39.40 1xxe s PHE 249 CO -0.05 -0.61 0.67 0.54 1.83 0.00 0.00 175.22 177.61 1xxe n ARG 250 N 4.81 -2.14 -2.87 10.12 1.74 -0.55 -2.46 116.66 125.32 1xxe n ARG 250 Ca -0.15 0.45 -0.39 0.00 -0.77 0.00 0.00 57.85 56.99 1xxe n ARG 250 Cb 0.48 -4.31 -0.06 0.00 -1.02 0.00 0.00 32.46 27.55 1xxe n ARG 250 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xxe s GLY 251 N -3.81 2.93 0.52 -0.13 0.00 -1.26 -4.49 107.32 101.08 1xxe s GLY 251 Ca 0.30 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.50 1xxe s GLY 251 CO 0.87 0.97 0.11 0.61 0.00 0.00 0.00 173.10 175.66 1xxe n GLY 252 N 1.23 3.34 0.09 0.20 0.00 -1.26 -4.98 105.19 103.81 1xxe n GLY 252 Ca -0.02 -2.35 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 1xxe n GLY 252 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xxe h HIS 253 N 1.10 -0.09 -0.62 1.61 3.86 -1.96 0.28 115.15 119.34 1xxe h HIS 253 Ca -0.40 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 58.86 1xxe h HIS 253 Cb 1.28 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.74 1xxe h HIS 253 CO 0.00 0.49 0.41 1.03 0.86 0.00 0.00 177.93 180.72 1xxe h SER 254 N -0.79 0.54 -0.14 2.45 0.87 -1.88 0.14 113.55 114.74 1xxe h SER 254 Ca -0.01 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 1xxe h SER 254 Cb 0.61 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1xxe h SER 254 CO 0.02 0.35 -0.65 0.25 -0.53 0.00 0.00 176.83 176.26 1xxe h LEU 255 N 0.61 0.82 0.13 2.23 5.85 -1.96 -2.65 115.31 120.34 1xxe h LEU 255 Ca 0.27 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1xxe h LEU 255 Cb 0.27 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1xxe h LEU 255 CO -0.08 1.31 -0.06 0.78 -0.34 0.00 0.00 178.44 180.05 1xxe h ASN 256 N 0.37 -0.15 -0.79 1.25 2.35 0.33 -2.12 115.58 116.82 1xxe h ASN 256 Ca -0.04 -0.02 0.15 0.00 -0.55 0.00 0.00 56.30 55.84 1xxe h ASN 256 Cb 1.29 0.04 -0.10 0.00 0.05 0.00 0.00 38.32 39.60 1xxe h ASN 256 CO 0.14 -0.08 0.34 0.58 -1.65 0.00 0.00 177.43 176.76 1xxe h VAL 257 N -0.21 0.67 -0.40 2.81 2.07 -0.80 0.38 116.25 120.77 1xxe h VAL 257 Ca -0.02 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1xxe h VAL 257 Cb 0.16 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1xxe h VAL 257 CO 0.03 0.09 0.09 0.50 0.02 0.00 0.00 177.57 178.30 1xxe h LYS 258 N 0.49 0.22 -0.36 1.57 3.64 -1.02 0.61 116.57 121.72 1xxe h LYS 258 Ca 0.43 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 1xxe h LYS 258 Cb 0.66 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1xxe h LYS 258 CO -0.40 0.15 -0.11 1.25 -2.27 0.00 0.00 179.45 178.07 1xxe h LEU 259 N 0.23 -0.39 0.33 5.20 5.85 -0.36 0.84 115.31 127.01 1xxe h LEU 259 Ca 0.19 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1xxe h LEU 259 Cb 0.21 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xxe h LEU 259 CO -0.23 -0.14 -0.16 0.58 -0.34 0.00 0.00 178.44 178.15 1xxe h VAL 260 N -0.02 0.70 -0.62 1.05 2.07 -0.56 -2.16 116.25 116.70 1xxe h VAL 260 Ca 0.18 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1xxe h VAL 260 Cb 0.29 0.85 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 1xxe h VAL 260 CO -0.38 0.06 -0.21 0.11 0.02 0.00 0.00 177.57 177.16 1xxe h LYS 261 N -0.59 -0.05 -0.50 1.57 1.57 0.84 0.49 116.57 119.89 1xxe h LYS 261 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1xxe h LYS 261 Cb 0.43 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1xxe h LYS 261 CO 0.07 -0.04 0.21 1.49 -0.57 0.00 0.00 179.45 180.62 1xxe h GLU 262 N -0.05 0.70 -0.23 3.15 4.57 -0.76 0.57 114.58 122.53 1xxe h GLU 262 Ca 0.29 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.25 1xxe h GLU 262 Cb 0.50 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1xxe h GLU 262 CO -0.67 0.57 -0.35 -0.07 -1.18 0.00 0.00 179.01 177.31 1xxe h LEU 263 N 0.70 0.71 -0.22 1.64 3.38 0.29 0.09 115.31 121.90 1xxe h LEU 263 Ca 0.17 -0.52 -0.15 0.00 0.09 0.00 0.00 57.88 57.47 1xxe h LEU 263 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xxe h LEU 263 CO -0.02 1.09 -0.72 0.00 0.09 0.00 0.00 178.44 178.88 1xxe h ALA 264 N 0.64 0.61 0.12 1.53 0.00 0.13 -3.05 119.26 119.24 1xxe h ALA 264 Ca 0.02 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 54.00 1xxe h ALA 264 Cb 0.94 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xxe h ALA 264 CO 0.08 0.90 -1.22 0.87 0.00 0.00 0.00 179.25 179.88 1xxe h LYS 265 N 0.00 0.29 -0.33 0.00 1.57 0.16 -3.19 116.57 115.07 1xxe h LYS 265 Ca -0.01 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1xxe h LYS 265 Cb 1.45 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 1xxe h LYS 265 CO 0.09 1.22 0.18 0.87 -0.57 0.00 0.00 179.45 181.25 1xxe h LYS 266 N 0.09 0.46 -0.60 3.15 1.57 -0.99 -1.03 116.57 119.21 1xxe h LYS 266 Ca -0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1xxe h LYS 266 Cb 1.94 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1xxe h LYS 266 CO 0.20 0.38 0.00 1.04 -0.57 0.00 0.00 179.45 180.50 1xxe n GLN 267 N -4.80 0.97 0.08 3.15 1.13 -1.16 -3.40 117.38 113.36 1xxe n GLN 267 Ca -0.01 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.07 1xxe n GLN 267 Cb 0.07 -1.30 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 1xxe n GLN 267 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1xxe h LYS 268 N 0.02 0.00 0.00 -1.09 3.64 -1.16 -3.25 116.57 114.72 1xxe h LYS 268 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xxe h LYS 268 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1xxe h LYS 268 CO 0.00 0.36 0.05 1.28 -2.27 0.00 0.00 179.45 178.87 1xxe n LEU 269 N -3.02 0.00 -0.39 5.20 4.77 -1.22 -5.12 117.00 117.22 1xxe n LEU 269 Ca -0.04 0.42 0.14 0.00 -0.03 0.00 0.00 56.01 56.50 1xxe n LEU 269 Cb 0.78 -0.42 0.61 0.00 -2.33 0.00 0.00 43.42 42.05 1xxe n LEU 269 CO 0.42 -0.42 0.92 0.35 -1.33 0.00 0.00 177.39 177.32