#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7y s ARG 4 N 0.00 2.24 0.62 3.52 1.70 -1.26 -4.91 118.95 120.86 1s7y s ARG 4 Ca 0.00 1.32 -0.17 0.00 -0.47 0.00 0.00 55.73 56.41 1s7y s ARG 4 Cb 0.00 -1.89 -0.02 0.00 -0.57 0.00 0.00 34.95 32.47 1s7y s ARG 4 CO 0.00 -1.68 1.15 -1.12 -1.08 0.00 0.00 175.30 172.57 1s7y s SER 5 N -2.97 5.18 0.22 -2.89 0.01 -1.26 -4.75 113.70 107.25 1s7y s SER 5 Ca 0.64 2.19 -0.14 0.00 1.31 0.00 0.00 55.95 59.95 1s7y s SER 5 Cb -0.20 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 1s7y s SER 5 CO 0.51 -1.59 0.63 -0.76 0.41 0.00 0.00 173.24 172.44 1s7y s LEU 6 N -4.41 4.23 -0.26 2.44 1.43 0.67 -4.89 118.68 117.89 1s7y s LEU 6 Ca 0.72 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1s7y s LEU 6 Cb -0.25 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 1s7y s LEU 6 CO 0.36 -0.03 0.24 -0.63 0.23 0.00 0.00 176.35 176.52 1s7y s ILE 7 N -1.69 5.28 -0.24 -0.59 -1.09 -1.26 -0.72 121.20 120.88 1s7y s ILE 7 Ca 0.45 0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 59.15 1s7y s ILE 7 Cb -0.13 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1s7y s ILE 7 CO 0.20 0.25 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.42 1s7y s VAL 8 N 1.65 3.15 0.23 2.92 1.01 -0.11 -0.08 120.40 129.16 1s7y s VAL 8 Ca 0.10 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1s7y s VAL 8 Cb -0.15 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 1s7y s VAL 8 CO 0.09 0.29 0.62 0.28 0.00 0.00 0.00 175.10 176.38 1s7y s THR 9 N 1.40 4.80 0.16 3.92 -1.32 0.06 -0.36 115.64 124.30 1s7y s THR 9 Ca 0.03 0.80 -0.04 0.00 -1.21 0.00 0.00 61.69 61.27 1s7y s THR 9 Cb -0.16 -3.68 0.01 0.00 -1.51 0.00 0.00 72.50 67.17 1s7y s THR 9 CO -0.04 0.02 0.28 1.07 -2.21 0.00 0.00 174.62 173.74 1s7y n THR 10 N 0.17 0.00 -3.84 5.08 5.66 -0.25 -2.02 114.28 119.08 1s7y n THR 10 Ca -0.01 -0.61 -0.12 0.00 -3.05 0.00 0.00 64.05 60.26 1s7y n THR 10 Cb 0.52 0.46 -0.10 0.00 -1.55 0.00 0.00 70.33 69.65 1s7y n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1s7y s ILE 11 N -2.61 0.05 -0.02 1.09 2.07 -1.26 -1.03 121.20 119.50 1s7y s ILE 11 Ca 0.10 -0.45 -0.30 0.00 -1.41 0.00 0.00 60.65 58.59 1s7y s ILE 11 Cb -0.01 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 42.12 1s7y s ILE 11 CO 0.07 -0.25 1.50 -0.76 -1.91 0.00 0.00 174.94 173.59 1s7y s LEU 12 N -0.90 4.31 -0.30 8.50 1.43 -1.26 -4.60 118.68 125.86 1s7y s LEU 12 Ca -0.10 2.17 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 1s7y s LEU 12 Cb -0.05 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.80 1s7y s LEU 12 CO 0.01 -0.81 0.88 -0.70 0.23 0.00 0.00 176.35 175.97 1s7y s GLU 13 N 2.97 0.33 0.28 1.70 2.56 -0.29 -4.99 118.70 121.26 1s7y s GLU 13 Ca 0.67 0.58 -0.29 0.00 0.00 0.00 0.00 54.97 55.93 1s7y s GLU 13 Cb -0.32 0.32 -0.10 0.00 2.00 0.00 0.00 34.13 36.03 1s7y s GLU 13 CO 0.27 -0.36 1.11 -2.00 -0.56 0.00 0.00 175.26 173.72 1s7y s GLU 14 N 2.92 4.62 -0.34 4.30 2.12 -1.25 -0.28 118.70 130.80 1s7y s GLU 14 Ca 0.07 1.82 0.09 0.00 0.36 0.00 0.00 54.97 57.31 1s7y s GLU 14 Cb -0.12 -3.18 0.75 0.00 0.26 0.00 0.00 34.13 31.84 1s7y s GLU 14 CO -0.15 0.19 1.83 -0.35 -0.54 0.00 0.00 175.26 176.24 1s7y n PRO 15 N 1.16 3.64 0.06 4.30 -0.04 -1.26 -4.92 135.00 137.94 1s7y n PRO 15 Ca -0.01 -3.10 -0.20 0.00 -0.04 0.00 0.00 63.50 60.15 1s7y n PRO 15 Cb 0.45 -2.23 -0.14 0.00 -0.04 0.00 0.00 33.50 31.54 1s7y n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s7y h TYR 16 N 2.57 0.63 -3.03 0.54 -1.99 -0.98 -1.44 116.97 113.26 1s7y h TYR 16 Ca 0.30 -0.45 -0.21 0.00 2.00 0.00 0.00 58.73 60.37 1s7y h TYR 16 Cb 2.40 -0.03 -0.31 0.00 2.00 0.00 0.00 36.73 40.79 1s7y h TYR 16 CO 1.33 1.33 -0.52 0.08 -0.00 0.00 0.00 178.16 180.38 1s7y s VAL 17 N -2.56 -0.13 0.19 -2.88 1.01 -0.07 -1.25 120.40 114.71 1s7y s VAL 17 Ca -0.13 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1s7y s VAL 17 Cb 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1s7y s VAL 17 CO 0.85 0.08 0.46 -1.48 0.00 0.00 0.00 175.10 175.01 1s7y s LEU 18 N 1.54 0.33 -0.01 3.92 2.34 -0.35 -1.13 118.68 125.32 1s7y s LEU 18 Ca -0.06 -0.58 -0.30 0.00 0.06 0.00 0.00 54.13 53.24 1s7y s LEU 18 Cb -0.11 1.88 -0.03 0.00 -0.56 0.00 0.00 46.19 47.37 1s7y s LEU 18 CO -0.08 -1.01 1.07 -0.36 -1.06 0.00 0.00 176.35 174.92 1s7y s PHE 19 N -3.90 3.51 0.11 3.48 0.40 -1.26 -1.66 117.98 118.67 1s7y s PHE 19 Ca 0.11 1.51 -0.30 0.00 -0.60 0.00 0.00 56.93 57.65 1s7y s PHE 19 Cb 0.00 -3.25 -0.06 0.00 0.51 0.00 0.00 43.02 40.22 1s7y s PHE 19 CO -0.02 -0.56 1.14 0.21 0.70 0.00 0.00 175.22 176.69 1s7y s LYS 20 N 1.34 4.51 0.03 0.44 2.20 0.69 -4.84 119.74 124.12 1s7y s LYS 20 Ca 0.54 1.73 -0.17 0.00 -0.36 0.00 0.00 55.97 57.71 1s7y s LYS 20 Cb -0.23 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 1s7y s LYS 20 CO 0.26 -0.10 0.49 0.15 -0.36 0.00 0.00 175.35 175.79 1s7y s LYS 21 N 0.39 4.06 -0.01 4.03 1.02 -1.26 -4.89 119.74 123.09 1s7y s LYS 21 Ca 0.54 0.57 -0.28 0.00 0.02 0.00 0.00 55.97 56.82 1s7y s LYS 21 Cb -0.29 -3.23 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 1s7y s LYS 21 CO 0.32 0.66 0.80 0.45 -0.92 0.00 0.00 175.35 176.65 1s7y s SER 22 N -1.06 -0.48 0.03 2.83 0.15 -1.26 -5.05 113.70 108.86 1s7y s SER 22 Ca 0.26 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 1s7y s SER 22 Cb -0.18 0.45 -0.35 0.00 -1.71 0.00 0.00 66.02 64.23 1s7y s SER 22 CO 0.16 -0.65 0.98 -2.24 1.20 0.00 0.00 173.24 172.70 1s7y h ASP 23 N 2.33 0.81 -3.32 5.45 2.03 -2.07 -3.45 116.42 118.20 1s7y h ASP 23 Ca -0.25 -0.89 -0.56 0.00 -0.73 0.00 0.00 57.03 54.60 1s7y h ASP 23 Cb 1.22 -0.27 -0.04 0.00 -0.83 0.00 0.00 39.33 39.42 1s7y h ASP 23 CO 0.34 1.70 -0.08 -0.54 -1.03 0.00 0.00 179.24 179.63 1s7y s LYS 24 N -2.60 3.99 0.21 4.15 -0.14 -1.26 -5.02 119.74 119.07 1s7y s LYS 24 Ca -0.09 0.51 -0.32 0.00 -1.36 0.00 0.00 55.97 54.71 1s7y s LYS 24 Cb 0.04 -2.95 -0.15 0.00 -1.68 0.00 0.00 37.83 33.10 1s7y s LYS 24 CO 0.94 0.49 1.26 -2.30 -0.76 0.00 0.00 175.35 174.97 1s7y n PRO 25 N 0.85 1.56 -4.06 -1.68 -0.02 -1.26 -4.99 135.00 125.40 1s7y n PRO 25 Ca -0.06 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 1s7y n PRO 25 Cb 0.52 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1s7y n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s7y s LEU 26 N 0.38 3.90 0.09 2.45 1.43 -1.26 -5.12 118.68 120.55 1s7y s LEU 26 Ca 0.70 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1s7y s LEU 26 Cb -0.75 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1s7y s LEU 26 CO 0.52 0.22 -0.09 -0.31 0.23 0.00 0.00 176.35 176.91 1s7y s TYR 27 N -1.31 0.99 0.00 0.29 1.51 -1.26 -4.83 117.35 112.74 1s7y s TYR 27 Ca 0.27 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1s7y s TYR 27 Cb -0.12 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1s7y s TYR 27 CO 0.19 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.01 1s7y n GLY 28 N 0.62 2.45 0.21 0.71 0.00 -1.26 -2.35 105.19 105.57 1s7y n GLY 28 Ca -0.17 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1s7y n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s7y h ASN 29 N 7.34 0.00 0.60 1.61 2.35 -1.96 -2.47 115.58 123.05 1s7y h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s7y h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1s7y h ASN 29 CO 0.00 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 175.11 1s7y n ASP 30 N -2.58 0.00 0.21 5.81 2.03 -0.99 -2.82 116.55 118.21 1s7y n ASP 30 Ca -0.00 0.36 0.14 0.00 0.52 0.00 0.00 54.79 55.80 1s7y n ASP 30 Cb 0.14 -0.44 0.43 0.00 -0.72 0.00 0.00 41.12 40.54 1s7y n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1s7y h ARG 31 N 0.00 0.00 -6.28 -0.67 3.08 -1.55 -3.44 114.38 105.52 1s7y h ARG 31 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1s7y h ARG 31 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 1s7y h ARG 31 CO 0.00 0.00 -0.73 -0.06 -1.07 0.00 0.00 179.97 178.11 1s7y s PHE 32 N -3.37 2.46 0.19 3.04 0.40 -1.13 -0.23 117.98 119.35 1s7y s PHE 32 Ca 0.05 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 55.94 1s7y s PHE 32 Cb 0.08 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.52 1s7y s PHE 32 CO 0.58 0.64 0.46 -1.83 0.70 0.00 0.00 175.22 175.77 1s7y s GLU 33 N -3.39 1.32 0.00 0.44 -1.05 -0.66 -4.70 118.70 110.66 1s7y s GLU 33 Ca 0.29 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 1s7y s GLU 33 Cb -0.06 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1s7y s GLU 33 CO 0.16 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.24 1s7y n GLY 34 N -0.31 2.21 0.19 -3.83 0.00 -1.26 -1.21 105.19 100.98 1s7y n GLY 34 Ca -0.10 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 1s7y n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1s7y h TYR 35 N 0.00 0.21 0.00 1.61 3.20 -0.87 -0.61 116.97 120.51 1s7y h TYR 35 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1s7y h TYR 35 Cb 0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1s7y h TYR 35 CO 0.00 0.04 -0.47 0.00 -1.64 0.00 0.00 178.16 176.09 1s7y h ILE 37 N 0.00 1.32 -0.42 0.00 1.08 -1.41 -0.17 117.51 117.92 1s7y h ILE 37 Ca -0.00 -1.85 -0.13 0.00 -0.39 0.00 0.00 64.86 62.49 1s7y h ILE 37 Cb 0.89 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1s7y h ILE 37 CO 0.06 0.58 -0.24 0.44 -0.69 0.00 0.00 178.15 178.29 1s7y h ASP 38 N 0.45 0.89 -0.03 1.72 3.32 -0.88 -1.96 116.42 119.92 1s7y h ASP 38 Ca -0.00 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1s7y h ASP 38 Cb 1.15 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1s7y h ASP 38 CO 0.11 1.09 0.01 0.25 -1.72 0.00 0.00 179.24 178.98 1s7y h LEU 39 N 0.74 0.04 -0.85 1.55 5.85 -1.01 -2.23 115.31 119.41 1s7y h LEU 39 Ca 0.09 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1s7y h LEU 39 Cb 0.79 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 1s7y h LEU 39 CO 0.07 0.22 0.51 0.25 -0.34 0.00 0.00 178.44 179.14 1s7y h LEU 40 N -0.13 0.76 -0.53 2.25 5.85 -0.96 -0.42 115.31 122.12 1s7y h LEU 40 Ca 0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1s7y h LEU 40 Cb 0.19 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1s7y h LEU 40 CO -0.00 0.46 0.33 -0.09 -0.34 0.00 0.00 178.44 178.80 1s7y h ARG 41 N 0.88 0.71 -0.61 1.25 2.43 -1.14 -1.18 114.38 116.72 1s7y h ARG 41 Ca 0.39 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1s7y h ARG 41 Cb 0.28 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1s7y h ARG 41 CO -0.21 0.50 0.23 0.93 -1.51 0.00 0.00 179.97 179.90 1s7y h GLU 42 N 0.71 0.93 -0.49 0.20 4.39 -0.72 -2.65 114.58 116.96 1s7y h GLU 42 Ca 0.19 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1s7y h GLU 42 Cb -0.04 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1s7y h GLU 42 CO -0.04 0.80 0.32 -0.07 -1.16 0.00 0.00 179.01 178.86 1s7y h LEU 43 N 0.86 0.57 -1.17 1.33 3.38 -0.80 -1.84 115.31 117.64 1s7y h LEU 43 Ca 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1s7y h LEU 43 Cb 0.24 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1s7y h LEU 43 CO -0.01 0.42 0.40 0.77 0.09 0.00 0.00 178.44 180.11 1s7y h SER 44 N 0.66 0.86 0.52 -0.43 4.64 -0.91 -0.51 113.55 118.39 1s7y h SER 44 Ca 0.18 -0.06 -0.29 0.00 -0.47 0.00 0.00 61.79 61.14 1s7y h SER 44 Cb -0.06 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1s7y h SER 44 CO -0.04 0.68 -1.34 0.71 -0.87 0.00 0.00 176.83 175.97 1s7y h THR 45 N 0.98 1.40 -0.47 2.95 1.35 -1.33 0.52 112.91 118.30 1s7y h THR 45 Ca 0.25 -2.94 -0.12 0.00 -0.55 0.00 0.00 66.41 63.05 1s7y h THR 45 Cb 0.00 2.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1s7y h THR 45 CO -0.04 0.87 -0.16 0.40 -0.25 0.00 0.00 175.52 176.34 1s7y h ILE 46 N 0.09 1.27 0.00 6.82 2.04 -1.21 -3.27 117.51 123.25 1s7y h ILE 46 Ca -0.18 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1s7y h ILE 46 Cb 2.02 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1s7y h ILE 46 CO 0.21 0.45 -0.97 0.18 0.00 0.00 0.00 178.15 178.02 1s7y n LEU 47 N -4.19 0.71 -2.22 1.44 4.77 -0.21 -5.03 117.00 112.26 1s7y n LEU 47 Ca -0.00 -0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 55.72 1s7y n LEU 47 Cb 0.42 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1s7y n LEU 47 CO 0.45 0.14 0.06 0.61 -1.33 0.00 0.00 177.39 177.33 1s7y n GLY 48 N 1.44 -0.23 3.14 -0.72 0.00 0.07 -5.05 105.19 103.85 1s7y n GLY 48 Ca 0.03 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1s7y n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s7y s PHE 49 N -3.11 0.19 0.27 1.61 -0.12 -0.57 -5.04 117.98 111.20 1s7y s PHE 49 Ca 0.13 -0.52 0.08 0.00 -0.05 0.00 0.00 56.93 56.57 1s7y s PHE 49 Cb -0.02 -0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1s7y s PHE 49 CO 0.32 -0.41 0.18 0.95 -0.05 0.00 0.00 175.22 176.20 1s7y s THR 50 N -2.93 4.03 0.26 -4.49 -4.23 -1.26 -4.64 115.64 102.39 1s7y s THR 50 Ca -0.02 -1.50 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 1s7y s THR 50 Cb 0.01 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.61 1s7y s THR 50 CO -0.06 -0.31 0.58 -0.72 -0.54 0.00 0.00 174.62 173.57 1s7y s TYR 51 N -2.21 0.13 -0.02 3.99 -0.85 -1.26 -0.24 117.35 116.89 1s7y s TYR 51 Ca 0.34 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.37 1s7y s TYR 51 Cb -0.07 0.41 0.01 0.00 0.38 0.00 0.00 41.96 42.69 1s7y s TYR 51 CO 0.24 -1.10 -0.05 -1.21 -1.52 0.00 0.00 175.55 171.91 1s7y s GLU 52 N -3.97 0.57 -0.10 -3.49 2.02 0.10 -4.84 118.70 108.99 1s7y s GLU 52 Ca 0.18 -0.16 -0.18 0.00 0.02 0.00 0.00 54.97 54.83 1s7y s GLU 52 Cb -0.03 -0.57 -0.04 0.00 0.10 0.00 0.00 34.13 33.58 1s7y s GLU 52 CO 0.08 0.05 0.49 0.42 0.02 0.00 0.00 175.26 176.32 1s7y s ILE 53 N 0.25 5.16 -0.03 -1.63 1.01 -1.26 -0.93 121.20 123.77 1s7y s ILE 53 Ca -0.03 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.66 1s7y s ILE 53 Cb -0.07 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1s7y s ILE 53 CO -0.00 0.35 -0.20 -0.60 0.00 0.00 0.00 174.94 174.48 1s7y s ARG 54 N 0.47 1.79 -0.12 2.79 3.52 0.51 -4.94 118.95 122.97 1s7y s ARG 54 Ca 0.26 -0.72 -0.19 0.00 -0.13 0.00 0.00 55.73 54.96 1s7y s ARG 54 Cb -0.15 -1.65 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 1s7y s ARG 54 CO 0.11 0.38 0.50 -0.51 -0.81 0.00 0.00 175.30 174.97 1s7y s LEU 55 N -0.30 4.26 -0.21 -0.88 1.43 -1.26 -1.10 118.68 120.63 1s7y s LEU 55 Ca 0.03 0.83 -0.39 0.00 -1.03 0.00 0.00 54.13 53.57 1s7y s LEU 55 Cb -0.10 -2.73 -0.15 0.00 0.03 0.00 0.00 46.19 43.24 1s7y s LEU 55 CO 0.01 -0.03 1.71 0.55 0.23 0.00 0.00 176.35 178.81 1s7y n VAL 56 N 3.79 0.29 -0.15 -1.59 3.14 -0.20 -4.85 118.33 118.76 1s7y n VAL 56 Ca -0.06 -0.05 0.03 0.00 -2.96 0.00 0.00 64.34 61.29 1s7y n VAL 56 Cb 0.51 -1.25 0.32 0.00 -1.06 0.00 0.00 33.84 32.37 1s7y n VAL 56 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1s7y h GLU 57 N 7.08 0.80 -0.23 1.45 5.08 -1.94 -2.05 114.58 124.77 1s7y h GLU 57 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1s7y h GLU 57 Cb 1.31 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1s7y h GLU 57 CO 0.94 0.53 0.00 -0.40 -1.00 0.00 0.00 179.01 179.08 1s7y n ASP 58 N -4.45 1.89 -1.39 1.42 5.68 -1.26 -4.93 116.55 113.50 1s7y n ASP 58 Ca 0.07 -1.79 -0.17 0.00 -0.50 0.00 0.00 54.79 52.40 1s7y n ASP 58 Cb 0.09 -0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 39.86 1s7y n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s7y n GLY 59 N 1.15 1.27 3.47 6.12 0.00 -0.77 -4.95 105.19 111.48 1s7y n GLY 59 Ca 0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1s7y n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7y s LYS 60 N -3.68 1.69 -0.10 1.61 1.02 -1.26 -5.01 119.74 114.01 1s7y s LYS 60 Ca 0.00 -1.60 -0.18 0.00 0.02 0.00 0.00 55.97 54.22 1s7y s LYS 60 Cb 0.00 -1.87 -0.15 0.00 -0.52 0.00 0.00 37.83 35.30 1s7y s LYS 60 CO 0.00 0.37 0.58 1.88 -0.92 0.00 0.00 175.35 177.27 1s7y h TYR 61 N 2.69 -0.07 0.00 3.18 -1.99 -1.88 -1.86 116.97 117.04 1s7y h TYR 61 Ca -0.44 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1s7y h TYR 61 Cb 1.23 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1s7y h TYR 61 CO 0.74 0.43 0.00 0.41 -0.00 0.00 0.00 178.16 179.74 1s7y n GLY 62 N 1.29 3.75 3.25 3.88 0.00 -0.51 -1.52 105.19 115.34 1s7y n GLY 62 Ca -0.06 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1s7y n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7y s ALA 63 N 0.00 -0.57 -0.06 4.61 0.00 -1.23 -4.43 121.76 120.08 1s7y s ALA 63 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 1s7y s ALA 63 Cb 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1s7y s ALA 63 CO 0.00 -0.55 0.46 -1.14 0.00 0.00 0.00 175.76 174.53 1s7y s GLN 64 N -3.64 4.18 0.17 0.00 0.74 -1.26 -2.35 119.66 117.50 1s7y s GLN 64 Ca 0.03 0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.59 1s7y s GLN 64 Cb 0.03 -3.34 -0.08 0.00 1.10 0.00 0.00 33.01 30.72 1s7y s GLN 64 CO -0.10 0.40 1.23 0.34 -0.55 0.00 0.00 175.29 176.61 1s7y s ASP 65 N -0.16 7.03 0.17 6.67 -1.08 0.17 -4.91 116.67 124.55 1s7y s ASP 65 Ca 0.25 2.25 -0.13 0.00 -0.52 0.00 0.00 52.55 54.40 1s7y s ASP 65 Cb -0.16 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.76 1s7y s ASP 65 CO 0.12 -0.43 1.77 0.44 0.52 0.00 0.00 175.17 177.59 1s7y h ASP 66 N 5.55 0.70 0.00 -0.34 3.32 -1.95 0.40 116.42 124.11 1s7y h ASP 66 Ca -0.44 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1s7y h ASP 66 Cb 1.21 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1s7y h ASP 66 CO 0.77 0.61 0.00 0.52 -1.72 0.00 0.00 179.24 179.41 1s7y n VAL 67 N -4.59 0.00 1.69 -1.35 0.31 -1.26 -4.25 118.33 108.87 1s7y n VAL 67 Ca 0.03 0.79 0.15 0.00 -0.01 0.00 0.00 64.34 65.30 1s7y n VAL 67 Cb 0.10 -1.54 0.76 0.00 -0.91 0.00 0.00 33.84 32.25 1s7y n VAL 67 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1s7y n ASN 68 N -1.00 0.38 0.00 4.52 0.23 -1.26 -4.93 115.26 113.20 1s7y n ASN 68 Ca 0.00 -0.87 0.00 0.00 -0.53 0.00 0.00 54.58 53.18 1s7y n ASN 68 Cb 0.00 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1s7y n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s7y n GLY 69 N 1.14 0.13 3.86 4.83 0.00 0.13 -4.96 105.19 110.32 1s7y n GLY 69 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1s7y n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s7y s GLN 70 N -1.46 3.85 0.40 1.61 -0.21 -1.26 -4.44 119.66 118.14 1s7y s GLN 70 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 55.36 56.11 1s7y s GLN 70 Cb 0.00 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 1s7y s GLN 70 CO 0.00 -0.19 0.61 -1.58 -2.12 0.00 0.00 175.29 172.01 1s7y s TRP 71 N -2.56 3.38 0.00 0.91 0.52 -1.26 0.42 118.94 120.35 1s7y s TRP 71 Ca 0.55 0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.99 1s7y s TRP 71 Cb -0.10 -2.10 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 1s7y s TRP 71 CO 0.33 -0.11 0.00 0.27 0.02 0.00 0.00 176.95 177.46 1s7y n ASN 72 N -1.94 0.80 0.00 2.95 0.23 -0.99 -4.70 115.26 111.61 1s7y n ASN 72 Ca -0.02 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 1s7y n ASN 72 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1s7y n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s7y n GLY 73 N 2.00 0.67 0.29 4.83 0.00 -1.26 -2.14 105.19 109.57 1s7y n GLY 73 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1s7y n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s7y h MET 74 N 0.00 0.68 -0.45 1.61 2.86 -0.39 -2.30 114.93 116.95 1s7y h MET 74 Ca 0.00 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1s7y h MET 74 Cb 0.00 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1s7y h MET 74 CO 0.00 0.65 0.14 0.28 1.06 0.00 0.00 176.91 179.04 1s7y h VAL 75 N 0.66 0.83 -0.57 -2.22 2.07 -1.58 -1.70 116.25 113.74 1s7y h VAL 75 Ca 0.14 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1s7y h VAL 75 Cb 0.30 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1s7y h VAL 75 CO 0.00 0.05 -0.04 -0.09 0.02 0.00 0.00 177.57 177.52 1s7y h ARG 76 N 0.30 1.01 -0.47 1.57 9.65 -1.12 -2.00 114.38 123.31 1s7y h ARG 76 Ca 0.21 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1s7y h ARG 76 Cb 0.23 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1s7y h ARG 76 CO -0.23 1.01 0.29 0.93 2.80 0.00 0.00 179.97 184.77 1s7y h GLU 77 N 0.92 0.63 -0.16 0.20 5.08 -0.85 -0.71 114.58 119.70 1s7y h GLU 77 Ca 0.16 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1s7y h GLU 77 Cb 0.58 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1s7y h GLU 77 CO 0.03 0.44 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.06 1s7y h LEU 78 N 0.65 0.58 -0.71 1.33 3.38 -0.97 0.16 115.31 119.73 1s7y h LEU 78 Ca 0.17 -0.57 0.06 0.00 0.09 0.00 0.00 57.88 57.63 1s7y h LEU 78 Cb -0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1s7y h LEU 78 CO -0.03 1.04 0.42 0.40 0.09 0.00 0.00 178.44 180.36 1s7y h ILE 79 N 0.15 1.00 -0.12 1.22 2.04 -0.77 -1.54 117.51 119.50 1s7y h ILE 79 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1s7y h ILE 79 Cb 0.96 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1s7y h ILE 79 CO 0.08 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.84 1s7y n ASP 80 N -4.73 0.82 -3.29 1.72 8.00 -0.33 -4.91 116.55 113.83 1s7y n ASP 80 Ca 0.09 -1.76 -0.24 0.00 0.71 0.00 0.00 54.79 53.60 1s7y n ASP 80 Cb 0.16 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.23 1s7y n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s7y n HIS 81 N -0.16 -2.26 1.15 1.24 8.25 -0.58 -4.87 115.22 118.00 1s7y n HIS 81 Ca 0.11 0.70 0.13 0.00 -0.26 0.00 0.00 57.72 58.39 1s7y n HIS 81 Cb 0.16 -4.49 0.35 0.00 1.12 0.00 0.00 29.99 27.13 1s7y n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s7y n LYS 82 N -4.35 0.48 -3.79 -0.41 5.02 0.55 -4.87 118.16 110.79 1s7y n LYS 82 Ca -0.06 -0.27 -0.12 0.00 -2.02 0.00 0.00 58.31 55.84 1s7y n LYS 82 Cb 0.59 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 1s7y n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s7y s ALA 83 N -2.70 -0.61 -0.06 7.82 0.00 -1.21 -4.97 121.76 120.02 1s7y s ALA 83 Ca 0.19 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1s7y s ALA 83 Cb 0.19 0.18 -0.24 0.00 0.00 0.00 0.00 23.12 23.24 1s7y s ALA 83 CO 0.59 -0.31 0.60 -0.44 0.00 0.00 0.00 175.76 176.20 1s7y h ASP 84 N 3.70 0.13 -5.17 0.00 3.32 -0.83 -3.43 116.42 114.14 1s7y h ASP 84 Ca -0.31 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.34 1s7y h ASP 84 Cb 1.19 -0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 1s7y h ASP 84 CO 0.43 1.26 -0.53 -0.76 -1.72 0.00 0.00 179.24 177.91 1s7y s LEU 85 N -6.40 1.95 -0.23 1.55 1.43 -1.11 -4.25 118.68 111.61 1s7y s LEU 85 Ca -0.10 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1s7y s LEU 85 Cb 0.08 0.58 0.06 0.00 0.03 0.00 0.00 46.19 46.94 1s7y s LEU 85 CO 0.81 -0.61 -0.04 0.00 0.23 0.00 0.00 176.35 176.74 1s7y s ALA 86 N -3.50 1.88 -0.34 4.21 0.00 -0.09 -0.76 121.76 123.15 1s7y s ALA 86 Ca 0.03 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 1s7y s ALA 86 Cb 0.04 -1.42 0.08 0.00 0.00 0.00 0.00 23.12 21.82 1s7y s ALA 86 CO -0.09 -1.21 0.06 0.08 0.00 0.00 0.00 175.76 174.61 1s7y s VAL 87 N 1.43 2.87 0.17 0.00 1.01 -0.86 -1.45 120.40 123.57 1s7y s VAL 87 Ca -0.05 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 59.90 1s7y s VAL 87 Cb -0.19 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1s7y s VAL 87 CO -0.07 -0.38 1.07 0.00 0.00 0.00 0.00 175.10 175.72 1s7y s ALA 88 N 1.13 -1.67 -1.31 5.51 0.00 -1.26 -4.58 121.76 119.59 1s7y s ALA 88 Ca 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 1s7y s ALA 88 Cb -0.21 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1s7y s ALA 88 CO -0.04 -1.08 2.11 -0.35 0.00 0.00 0.00 175.76 176.41 1s7y n PRO 89 N -0.75 2.60 -3.45 0.00 -0.04 -1.26 -4.72 135.00 127.38 1s7y n PRO 89 Ca -0.02 -2.53 -0.41 0.00 -0.04 0.00 0.00 63.50 60.50 1s7y n PRO 89 Cb 0.59 -3.26 -0.10 0.00 -0.04 0.00 0.00 33.50 30.70 1s7y n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s7y s LEU 90 N 2.47 4.59 0.17 1.53 2.96 -1.26 -5.03 118.68 124.11 1s7y s LEU 90 Ca 0.50 -0.42 -0.31 0.00 -0.22 0.00 0.00 54.13 53.68 1s7y s LEU 90 Cb 0.13 -2.25 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 1s7y s LEU 90 CO -0.03 -0.34 1.43 0.00 -1.32 0.00 0.00 176.35 176.09 1s7y s ALA 91 N 1.88 3.63 -0.27 5.97 0.00 -1.26 -1.76 121.76 129.94 1s7y s ALA 91 Ca 0.09 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 53.00 1s7y s ALA 91 Cb -0.17 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1s7y s ALA 91 CO 0.11 -0.66 0.94 0.42 0.00 0.00 0.00 175.76 176.57 1s7y s ILE 92 N 0.72 4.70 0.11 0.00 1.01 0.05 -4.88 121.20 122.90 1s7y s ILE 92 Ca 0.63 1.66 0.03 0.00 0.00 0.00 0.00 60.65 62.97 1s7y s ILE 92 Cb -0.39 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1s7y s ILE 92 CO 0.34 -0.25 -0.09 0.42 0.00 0.00 0.00 174.94 175.36 1s7y s THR 93 N 3.18 0.90 0.14 2.92 -4.23 -1.26 -4.55 115.64 112.75 1s7y s THR 93 Ca 0.40 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.94 1s7y s THR 93 Cb -0.14 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1s7y s THR 93 CO 0.10 -0.68 1.76 0.22 -0.54 0.00 0.00 174.62 175.48 1s7y h TYR 94 N 3.26 0.24 -0.67 3.99 3.20 -1.99 -1.12 116.97 123.89 1s7y h TYR 94 Ca -0.36 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.48 1s7y h TYR 94 Cb 1.18 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 1s7y h TYR 94 CO 0.62 0.13 0.25 -0.39 -1.64 0.00 0.00 178.16 177.13 1s7y h VAL 95 N 0.28 1.24 -0.19 1.81 -1.51 -2.01 -2.67 116.25 113.20 1s7y h VAL 95 Ca 0.13 -0.76 -0.14 0.00 -1.23 0.00 0.00 66.70 64.70 1s7y h VAL 95 Cb 0.06 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 1s7y h VAL 95 CO -0.10 0.30 -0.45 0.03 -1.23 0.00 0.00 177.57 176.12 1s7y h ARG 96 N 0.97 0.48 0.00 5.19 3.08 -1.87 -2.89 114.38 119.34 1s7y h ARG 96 Ca 0.22 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1s7y h ARG 96 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1s7y h ARG 96 CO -0.02 0.84 0.00 0.39 -1.07 0.00 0.00 179.97 180.11 1s7y n GLU 97 N -4.00 0.17 0.16 0.04 1.02 -0.45 -1.22 120.64 116.36 1s7y n GLU 97 Ca -0.02 0.54 0.04 0.00 -0.02 0.00 0.00 57.16 57.71 1s7y n GLU 97 Cb 0.54 -1.93 0.18 0.00 -0.02 0.00 0.00 31.44 30.20 1s7y n GLU 97 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1s7y h LYS 98 N 0.00 0.00 0.00 3.49 1.57 -1.39 -3.38 116.57 116.86 1s7y h LYS 98 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1s7y h LYS 98 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1s7y h LYS 98 CO 0.00 0.43 -1.27 1.33 -0.57 0.00 0.00 179.45 179.37 1s7y n VAL 99 N -3.33 0.09 -4.21 0.50 0.24 -0.50 -5.07 118.33 106.06 1s7y n VAL 99 Ca 0.01 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1s7y n VAL 99 Cb 0.63 0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1s7y n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s7y s ILE 100 N -2.31 0.34 0.15 1.34 -4.36 -0.36 -4.25 121.20 111.75 1s7y s ILE 100 Ca -0.02 -1.95 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1s7y s ILE 100 Cb 0.03 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1s7y s ILE 100 CO 0.22 -0.36 0.15 -1.81 0.24 0.00 0.00 174.94 173.38 1s7y s ASP 101 N -3.13 5.65 0.10 4.36 1.01 -0.81 -4.10 116.67 119.74 1s7y s ASP 101 Ca 0.27 -0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.53 1s7y s ASP 101 Cb 0.07 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 1s7y s ASP 101 CO 0.05 0.08 -0.16 -0.36 0.21 0.00 0.00 175.17 175.00 1s7y s PHE 102 N -1.69 1.46 0.88 4.23 0.40 -1.26 -0.98 117.98 121.02 1s7y s PHE 102 Ca 0.31 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 1s7y s PHE 102 Cb -0.11 -0.78 0.20 0.00 0.51 0.00 0.00 43.02 42.84 1s7y s PHE 102 CO 0.24 0.14 1.20 -1.13 0.70 0.00 0.00 175.22 176.37 1s7y n SER 103 N 0.87 0.35 -4.78 1.36 3.41 -0.37 -4.96 113.62 109.51 1s7y n SER 103 Ca -0.18 -1.59 -0.31 0.00 -0.26 0.00 0.00 58.87 56.53 1s7y n SER 103 Cb 0.55 -0.89 0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1s7y n SER 103 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s7y s LYS 104 N -5.60 2.40 0.49 4.33 -0.14 -1.26 -4.61 119.74 115.35 1s7y s LYS 104 Ca 0.70 1.12 -0.22 0.00 -1.36 0.00 0.00 55.97 56.21 1s7y s LYS 104 Cb -0.02 -1.92 -0.07 0.00 -1.68 0.00 0.00 37.83 34.15 1s7y s LYS 104 CO 0.49 -1.53 1.22 -1.25 -0.76 0.00 0.00 175.35 173.52 1s7y s PRO 105 N -4.94 3.55 0.00 -1.68 0.04 -1.26 -4.57 135.00 126.15 1s7y s PRO 105 Ca 0.60 1.91 0.15 0.00 0.04 0.00 0.00 61.00 63.71 1s7y s PRO 105 Cb -0.16 -2.35 0.07 0.00 0.04 0.00 0.00 34.50 32.09 1s7y s PRO 105 CO 0.56 -0.76 0.90 1.97 0.04 0.00 0.00 177.00 179.71 1s7y n PHE 106 N -0.68 0.00 -3.61 0.56 1.16 -0.06 -4.97 117.46 109.87 1s7y n PHE 106 Ca 0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.54 1s7y n PHE 106 Cb 0.47 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 1s7y n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1s7y s MET 107 N -1.46 0.71 0.11 3.97 0.00 -1.25 -5.01 119.30 116.37 1s7y s MET 107 Ca 0.15 0.64 0.08 0.00 0.00 0.00 0.00 55.69 56.56 1s7y s MET 107 Cb 0.12 0.34 -0.04 0.00 0.00 0.00 0.00 34.83 35.25 1s7y s MET 107 CO 0.26 -0.13 -0.11 0.95 0.00 0.00 0.00 175.02 175.99 1s7y s THR 108 N -0.07 3.26 0.10 10.11 -4.23 -1.26 -1.22 115.64 122.33 1s7y s THR 108 Ca -0.00 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1s7y s THR 108 Cb -0.04 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.30 1s7y s THR 108 CO -0.01 0.09 0.34 0.00 -0.54 0.00 0.00 174.62 174.51 1s7y n LEU 109 N 0.65 0.00 -3.60 4.79 -0.00 -0.27 -4.88 117.00 113.69 1s7y n LEU 109 Ca -0.14 -0.73 -0.11 0.00 -0.00 0.00 0.00 56.01 55.03 1s7y n LEU 109 Cb 0.53 1.22 -0.03 0.00 -0.00 0.00 0.00 43.42 45.13 1s7y n LEU 109 CO 0.33 -0.24 0.27 -0.83 -0.00 0.00 0.00 177.39 176.91 1s7y s GLY 110 N -2.14 -0.33 0.29 1.47 0.00 -1.26 -0.84 107.32 104.51 1s7y s GLY 110 Ca 0.07 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 1s7y s GLY 110 CO 0.03 -0.15 1.03 -0.42 0.00 0.00 0.00 173.10 173.59 1s7y s ILE 111 N -3.81 3.77 0.10 0.90 1.01 -1.25 -0.34 121.20 121.58 1s7y s ILE 111 Ca 0.04 1.67 -0.01 0.00 0.00 0.00 0.00 60.65 62.35 1s7y s ILE 111 Cb 0.00 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.45 1s7y s ILE 111 CO -0.09 0.32 0.15 -0.24 0.00 0.00 0.00 174.94 175.07 1s7y n SER 112 N 0.99 -0.42 -4.38 3.58 2.88 -0.09 0.36 113.62 116.55 1s7y n SER 112 Ca -0.00 -1.48 -0.32 0.00 -1.33 0.00 0.00 58.87 55.73 1s7y n SER 112 Cb 0.47 0.75 -0.15 0.00 -0.75 0.00 0.00 64.21 64.54 1s7y n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s7y s ILE 113 N -2.59 2.68 -0.12 2.46 1.01 -1.25 -1.45 121.20 121.94 1s7y s ILE 113 Ca 0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1s7y s ILE 113 Cb -0.00 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1s7y s ILE 113 CO 0.05 0.57 -0.07 -0.22 0.00 0.00 0.00 174.94 175.26 1s7y s LEU 114 N -0.29 3.06 0.36 2.97 2.96 0.88 -0.33 118.68 128.29 1s7y s LEU 114 Ca 0.01 -0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 53.61 1s7y s LEU 114 Cb -0.13 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.90 1s7y s LEU 114 CO 0.03 0.22 0.75 -0.47 -1.32 0.00 0.00 176.35 175.55 1s7y s TYR 115 N 0.04 0.13 0.42 5.38 5.04 -0.79 -0.91 117.35 126.65 1s7y s TYR 115 Ca -0.02 -0.73 -0.20 0.00 -2.44 0.00 0.00 57.07 53.68 1s7y s TYR 115 Cb -0.14 0.73 -0.11 0.00 0.35 0.00 0.00 41.96 42.80 1s7y s TYR 115 CO 0.03 -1.46 0.92 1.03 -1.34 0.00 0.00 175.55 174.73 1s7y s ARG 116 N -2.71 4.18 0.81 4.97 0.52 -1.26 -1.00 118.95 124.47 1s7y s ARG 116 Ca 0.16 1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 56.32 1s7y s ARG 116 Cb -0.05 -2.21 0.13 0.00 0.52 0.00 0.00 34.95 33.33 1s7y s ARG 116 CO 0.11 -0.01 1.14 -1.59 0.02 0.00 0.00 175.30 174.97 1s7y s LYS 117 N -3.20 1.49 -0.44 3.54 -2.85 -0.81 -4.34 119.74 113.15 1s7y s LYS 117 Ca 0.61 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 1s7y s LYS 117 Cb -0.09 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 1s7y s LYS 117 CO 0.15 -1.76 0.00 0.41 0.10 0.00 0.00 175.35 174.25 1s7y n GLY 118 N -3.26 0.66 3.61 0.59 0.00 -1.26 -5.03 105.19 100.50 1s7y n GLY 118 Ca 0.12 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1s7y n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s7y s THR 119 N -2.16 2.11 -2.27 2.61 -4.23 -1.26 -5.04 115.64 105.40 1s7y s THR 119 Ca 0.00 -2.02 0.27 0.00 -1.18 0.00 0.00 61.69 58.76 1s7y s THR 119 Cb 0.00 -2.91 0.62 0.00 1.34 0.00 0.00 72.50 71.55 1s7y s THR 119 CO 0.00 -0.06 1.83 -0.81 -0.54 0.00 0.00 174.62 175.04 1s7y n PRO 120 N -0.95 1.43 -2.57 3.99 -0.04 -1.26 -4.84 135.00 130.76 1s7y n PRO 120 Ca -0.05 -0.64 -0.43 0.00 -0.04 0.00 0.00 63.50 62.35 1s7y n PRO 120 Cb 0.66 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1s7y n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1s7y s ILE 121 N -1.96 4.51 0.00 0.52 -1.09 -1.26 -4.88 121.20 117.05 1s7y s ILE 121 Ca 0.38 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.62 1s7y s ILE 121 Cb 0.20 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1s7y s ILE 121 CO 0.32 -0.07 0.21 -0.67 -1.23 0.00 0.00 174.94 173.50 1s7y n ASP 122 N 5.66 0.42 -3.23 3.58 2.03 -1.26 -4.93 116.55 118.82 1s7y n ASP 122 Ca 0.11 -0.71 -0.07 0.00 0.52 0.00 0.00 54.79 54.64 1s7y n ASP 122 Cb 0.47 0.37 0.01 0.00 -0.72 0.00 0.00 41.12 41.25 1s7y n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s7y s SER 123 N -0.37 -0.05 0.31 1.67 1.04 -1.26 -3.32 113.70 111.73 1s7y s SER 123 Ca 0.00 -0.90 0.10 0.00 0.48 0.00 0.00 55.95 55.63 1s7y s SER 123 Cb 0.00 0.72 0.51 0.00 0.10 0.00 0.00 66.02 67.35 1s7y s SER 123 CO 0.00 -1.42 1.71 0.00 0.98 0.00 0.00 173.24 174.51 1s7y h ALA 124 N 2.00 1.15 -0.67 5.32 0.00 -1.98 -2.51 119.26 122.57 1s7y h ALA 124 Ca -0.29 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1s7y h ALA 124 Cb 1.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1s7y h ALA 124 CO 0.36 0.61 0.26 -0.44 0.00 0.00 0.00 179.25 180.04 1s7y h ASP 125 N 0.06 0.93 -0.56 0.00 3.32 -1.97 -0.51 116.42 117.69 1s7y h ASP 125 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1s7y h ASP 125 Cb 0.87 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1s7y h ASP 125 CO 0.07 0.85 0.37 0.44 -1.72 0.00 0.00 179.24 179.24 1s7y h ASP 126 N 0.95 0.65 0.01 6.45 3.32 -1.84 -1.99 116.42 123.97 1s7y h ASP 126 Ca 0.22 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 1s7y h ASP 126 Cb 0.22 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1s7y h ASP 126 CO -0.02 0.47 -0.86 -0.07 -1.72 0.00 0.00 179.24 177.05 1s7y h LEU 127 N 0.76 0.73 -1.49 1.55 3.38 -1.26 -3.32 115.31 115.66 1s7y h LEU 127 Ca 0.20 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1s7y h LEU 127 Cb -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1s7y h LEU 127 CO -0.04 1.40 -0.17 0.00 0.09 0.00 0.00 178.44 179.72 1s7y h ALA 128 N 0.35 1.12 -0.16 1.53 0.00 -0.84 -2.97 119.26 118.28 1s7y h ALA 128 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1s7y h ALA 128 Cb 1.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1s7y h ALA 128 CO 0.17 0.21 0.00 0.36 0.00 0.00 0.00 179.25 179.99 1s7y n LYS 129 N -3.46 1.57 -4.02 0.00 2.85 -0.77 -4.85 118.16 109.48 1s7y n LYS 129 Ca -0.01 -0.86 -0.10 0.00 -1.05 0.00 0.00 58.31 56.29 1s7y n LYS 129 Cb 0.34 -1.33 -0.11 0.00 -0.65 0.00 0.00 35.03 33.28 1s7y n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s7y s GLN 130 N -1.80 0.42 0.00 -1.58 1.03 -1.12 -5.05 119.66 111.56 1s7y s GLN 130 Ca 0.28 -0.72 0.06 0.00 0.04 0.00 0.00 55.36 55.03 1s7y s GLN 130 Cb 0.15 -0.04 0.14 0.00 0.03 0.00 0.00 33.01 33.28 1s7y s GLN 130 CO 0.22 -0.02 0.99 0.25 -2.54 0.00 0.00 175.29 174.20 1s7y n THR 131 N 1.42 0.64 -0.04 3.63 -2.24 -1.26 -4.69 114.28 111.74 1s7y n THR 131 Ca -0.23 -0.82 -0.09 0.00 -2.27 0.00 0.00 64.05 60.64 1s7y n THR 131 Cb 0.55 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 1s7y n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s7y h LYS 132 N 1.25 -0.04 -6.27 -0.78 3.64 -1.96 -3.44 116.57 108.96 1s7y h LYS 132 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 1s7y h LYS 132 Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1s7y h LYS 132 CO 0.00 0.55 0.66 0.42 -2.27 0.00 0.00 179.45 178.81 1s7y s ILE 133 N -2.36 4.49 0.42 2.00 1.01 -1.26 -5.03 121.20 120.47 1s7y s ILE 133 Ca -0.12 1.79 -0.06 0.00 0.00 0.00 0.00 60.65 62.25 1s7y s ILE 133 Cb -0.01 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1s7y s ILE 133 CO 0.46 -0.01 0.72 -1.61 0.00 0.00 0.00 174.94 174.50 1s7y s GLU 134 N 2.23 3.61 0.02 2.79 2.02 -0.80 -4.91 118.70 123.66 1s7y s GLU 134 Ca 0.52 0.18 -0.18 0.00 0.02 0.00 0.00 54.97 55.52 1s7y s GLU 134 Cb -0.22 -2.45 0.03 0.00 0.10 0.00 0.00 34.13 31.60 1s7y s GLU 134 CO 0.19 -0.06 0.40 1.52 0.02 0.00 0.00 175.26 177.33 1s7y s TYR 135 N -2.50 -0.26 0.00 1.61 -0.85 -1.26 -0.36 117.35 113.73 1s7y s TYR 135 Ca 0.47 0.28 0.00 0.00 -0.52 0.00 0.00 57.07 57.30 1s7y s TYR 135 Cb -0.10 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.43 1s7y s TYR 135 CO 0.38 -0.53 0.00 0.41 -1.52 0.00 0.00 175.55 174.29 1s7y n GLY 136 N 0.70 3.00 3.07 5.49 0.00 -0.99 -4.75 105.19 111.71 1s7y n GLY 136 Ca -0.19 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 1s7y n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7y n ALA 137 N -3.00 -1.23 -2.50 4.61 0.00 -1.24 -1.31 120.51 115.84 1s7y n ALA 137 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 53.44 51.90 1s7y n ALA 137 Cb 0.00 0.89 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 1s7y n ALA 137 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s7y s VAL 138 N -2.36 4.30 0.54 0.00 1.01 -1.26 -1.32 120.40 121.30 1s7y s VAL 138 Ca 0.16 1.64 -0.21 0.00 0.00 0.00 0.00 61.98 63.57 1s7y s VAL 138 Cb -0.03 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1s7y s VAL 138 CO 0.11 0.07 1.21 -0.70 0.00 0.00 0.00 175.10 175.80 1s7y s GLU 139 N 1.53 3.31 -1.37 2.72 2.12 0.71 -3.23 118.70 124.48 1s7y s GLU 139 Ca 0.56 1.84 -0.04 0.00 0.36 0.00 0.00 54.97 57.70 1s7y s GLU 139 Cb -0.26 -2.14 0.02 0.00 0.26 0.00 0.00 34.13 32.01 1s7y s GLU 139 CO 0.26 -0.94 0.28 -0.25 -0.54 0.00 0.00 175.26 174.07 1s7y n ASP 140 N -1.11 -4.78 -4.78 -1.70 8.00 -1.26 -4.82 116.55 106.10 1s7y n ASP 140 Ca 0.11 -0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1s7y n ASP 140 Cb 0.49 -3.96 -0.07 0.00 -0.02 0.00 0.00 41.12 37.56 1s7y n ASP 140 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s7y s GLY 141 N -2.38 3.02 0.28 0.44 0.00 -1.20 -1.43 107.32 106.04 1s7y s GLY 141 Ca 0.18 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1s7y s GLY 141 CO 0.22 -2.19 1.74 0.00 0.00 0.00 0.00 173.10 172.87 1s7y h ALA 142 N 1.28 1.12 -0.26 3.20 0.00 -1.88 -2.51 119.26 120.21 1s7y h ALA 142 Ca -0.43 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1s7y h ALA 142 Cb 1.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1s7y h ALA 142 CO 0.73 0.55 0.02 1.15 0.00 0.00 0.00 179.25 181.70 1s7y h THR 143 N 0.52 1.24 -0.70 0.00 2.02 -1.95 -0.04 112.91 114.01 1s7y h THR 143 Ca 0.09 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1s7y h THR 143 Cb 0.58 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1s7y h THR 143 CO 0.04 0.27 0.45 -0.03 0.37 0.00 0.00 175.52 176.62 1s7y h MET 144 N 0.25 0.88 -0.53 6.66 -1.53 -1.72 -2.19 114.93 116.74 1s7y h MET 144 Ca 0.08 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.23 1s7y h MET 144 Cb 0.38 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.20 1s7y h MET 144 CO 0.01 0.58 0.10 1.15 0.14 0.00 0.00 176.91 178.90 1s7y h THR 145 N 0.91 1.23 -0.27 -0.77 2.02 -1.24 -0.84 112.91 113.95 1s7y h THR 145 Ca 0.26 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.60 1s7y h THR 145 Cb -0.06 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1s7y h THR 145 CO -0.07 0.32 0.13 0.15 0.37 0.00 0.00 175.52 176.42 1s7y h PHE 146 N 0.80 0.25 -0.37 3.16 3.57 -0.40 -1.25 116.94 122.69 1s7y h PHE 146 Ca 0.17 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1s7y h PHE 146 Cb 0.33 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1s7y h PHE 146 CO 0.02 0.14 -0.30 0.74 -2.23 0.00 0.00 178.31 176.68 1s7y h PHE 147 N 0.28 0.94 0.00 0.41 -1.00 -1.16 -1.19 116.94 115.22 1s7y h PHE 147 Ca 0.11 -0.25 -0.03 0.00 2.81 0.00 0.00 57.97 60.61 1s7y h PHE 147 Cb 0.03 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 1s7y h PHE 147 CO -0.09 1.01 -0.15 -0.22 -1.61 0.00 0.00 178.31 177.24 1s7y h LYS 148 N 0.68 0.00 -0.02 1.51 3.64 -0.84 -2.78 116.57 118.77 1s7y h LYS 148 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1s7y h LYS 148 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1s7y h LYS 148 CO 0.07 0.15 -0.05 1.63 -2.27 0.00 0.00 179.45 178.99 1s7y n LYS 149 N -4.27 1.48 -2.13 1.90 5.02 -0.50 -5.01 118.16 114.64 1s7y n LYS 149 Ca -0.02 -1.45 -0.37 0.00 -2.02 0.00 0.00 58.31 54.44 1s7y n LYS 149 Cb 0.22 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1s7y n LYS 149 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1s7y s SER 150 N -1.54 5.91 0.00 4.39 0.15 -0.46 -4.93 113.70 117.21 1s7y s SER 150 Ca 0.20 2.42 0.05 0.00 0.70 0.00 0.00 55.95 59.32 1s7y s SER 150 Cb 0.15 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1s7y s SER 150 CO 0.25 -1.11 0.79 0.29 1.20 0.00 0.00 173.24 174.66 1s7y n LYS 151 N -0.67 0.60 -2.75 5.44 5.02 -1.26 -4.60 118.16 119.94 1s7y n LYS 151 Ca 0.08 -1.07 -0.43 0.00 -2.02 0.00 0.00 58.31 54.87 1s7y n LYS 151 Cb 0.47 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.34 1s7y n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s7y s ILE 152 N -0.60 4.60 0.14 -0.18 1.01 -1.26 -4.92 121.20 119.99 1s7y s ILE 152 Ca 0.08 1.50 -0.13 0.00 0.00 0.00 0.00 60.65 62.09 1s7y s ILE 152 Cb 0.05 -4.33 0.11 0.00 0.01 0.00 0.00 42.46 38.30 1s7y s ILE 152 CO 0.07 -0.43 1.01 -1.54 0.00 0.00 0.00 174.94 174.05 1s7y n SER 153 N 6.68 -0.48 -0.11 3.58 3.41 -1.26 -0.56 113.62 124.87 1s7y n SER 153 Ca 0.09 1.15 -0.06 0.00 -0.26 0.00 0.00 58.87 59.79 1s7y n SER 153 Cb 0.47 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.21 1s7y n SER 153 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1s7y h THR 154 N 0.00 0.91 -0.05 6.66 2.02 -2.00 -1.32 112.91 119.14 1s7y h THR 154 Ca 0.20 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.16 1s7y h THR 154 Cb 0.36 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1s7y h THR 154 CO -0.64 0.06 -0.51 1.88 0.37 0.00 0.00 175.52 176.67 1s7y h TYR 155 N 0.31 0.15 -0.28 3.16 0.99 -1.28 -2.20 116.97 117.82 1s7y h TYR 155 Ca 0.17 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.72 1s7y h TYR 155 Cb 0.13 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.82 1s7y h TYR 155 CO -0.13 0.61 -0.36 0.22 -0.00 0.00 0.00 178.16 178.50 1s7y h ASP 156 N 0.10 0.66 1.34 3.88 1.82 -0.31 -1.66 116.42 122.24 1s7y h ASP 156 Ca 0.00 -0.28 -0.14 0.00 -0.39 0.00 0.00 57.03 56.23 1s7y h ASP 156 Cb 0.94 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1s7y h ASP 156 CO 0.07 0.95 -0.67 0.07 -1.61 0.00 0.00 179.24 178.06 1s7y h LYS 157 N 0.52 0.00 -0.30 0.28 2.10 -1.17 -2.52 116.57 115.48 1s7y h LYS 157 Ca 0.05 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.57 1s7y h LYS 157 Cb 0.86 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1s7y h LYS 157 CO 0.07 0.63 -0.34 0.52 -2.00 0.00 0.00 179.45 178.34 1s7y h MET 158 N 0.00 0.67 -0.23 0.07 2.86 -1.20 -2.15 114.93 114.95 1s7y h MET 158 Ca -0.01 -0.31 -0.16 0.00 -2.06 0.00 0.00 59.70 57.15 1s7y h MET 158 Cb 1.50 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 1s7y h MET 158 CO 0.08 0.91 -0.52 2.35 1.06 0.00 0.00 176.91 180.80 1s7y h TRP 159 N 0.56 0.80 -0.87 -0.22 2.91 -1.25 -0.56 115.95 117.33 1s7y h TRP 159 Ca 0.06 -0.27 0.02 0.00 1.13 0.00 0.00 58.89 59.82 1s7y h TRP 159 Cb 0.85 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.30 1s7y h TRP 159 CO 0.04 1.03 0.57 0.00 -1.03 0.00 0.00 178.44 179.05 1s7y h ALA 160 N 0.92 1.41 0.46 2.65 0.00 -1.28 0.23 119.26 123.65 1s7y h ALA 160 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1s7y h ALA 160 Cb 1.07 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s7y h ALA 160 CO 0.10 0.53 -0.22 0.35 0.00 0.00 0.00 179.25 180.02 1s7y h PHE 161 N 1.14 -0.57 -0.31 0.00 3.57 -1.00 -2.18 116.94 117.60 1s7y h PHE 161 Ca 0.33 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.86 1s7y h PHE 161 Cb -0.08 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1s7y h PHE 161 CO -0.00 -0.25 0.04 0.52 -2.23 0.00 0.00 178.31 176.39 1s7y h MET 162 N -0.90 0.14 -0.89 1.11 2.86 -0.78 -2.50 114.93 113.96 1s7y h MET 162 Ca -0.06 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1s7y h MET 162 Cb 0.58 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 1s7y h MET 162 CO 0.10 0.09 0.57 1.03 1.06 0.00 0.00 176.91 179.76 1s7y h SER 163 N 0.14 0.93 0.59 1.22 0.87 -0.59 0.14 113.55 116.86 1s7y h SER 163 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1s7y h SER 163 Cb 0.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1s7y h SER 163 CO -0.22 0.63 0.00 -1.54 -0.53 0.00 0.00 176.83 175.17 1s7y n SER 164 N -4.55 0.29 -1.22 6.23 3.41 -0.82 -2.69 113.62 114.27 1s7y n SER 164 Ca 0.12 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.35 1s7y n SER 164 Cb 0.12 -0.63 0.07 0.00 -0.26 0.00 0.00 64.21 63.51 1s7y n SER 164 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s7y n ARG 165 N -1.82 0.43 -0.36 4.33 1.74 -0.65 -4.96 116.66 115.36 1s7y n ARG 165 Ca 0.03 -2.31 -0.03 0.00 -0.77 0.00 0.00 57.85 54.76 1s7y n ARG 165 Cb 0.19 -0.45 0.02 0.00 -1.02 0.00 0.00 32.46 31.19 1s7y n ARG 165 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1s7y h ARG 166 N 0.96 -0.03 0.00 5.56 2.43 -0.54 -0.10 114.38 122.66 1s7y h ARG 166 Ca -0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1s7y h ARG 166 Cb 1.64 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1s7y h ARG 166 CO 0.07 -0.02 -0.07 1.96 -1.51 0.00 0.00 179.97 180.40 1s7y h GLN 167 N -0.03 0.00 0.01 0.20 4.20 -1.87 -1.05 115.11 116.58 1s7y h GLN 167 Ca 0.30 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.70 1s7y h GLN 167 Cb 0.57 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1s7y h GLN 167 CO -0.94 0.07 -1.89 0.43 -0.67 0.00 0.00 178.83 175.83 1s7y n SER 168 N -3.30 0.82 -0.00 1.46 7.64 -0.20 -4.64 113.62 115.39 1s7y n SER 168 Ca -0.01 0.30 0.05 0.00 1.01 0.00 0.00 58.87 60.22 1s7y n SER 168 Cb 0.26 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.47 1s7y n SER 168 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1s7y n VAL 169 N -3.02 0.00 -3.30 0.44 0.24 -0.32 -4.95 118.33 107.42 1s7y n VAL 169 Ca -0.22 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.34 61.46 1s7y n VAL 169 Cb 1.07 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 1s7y n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1s7y s LEU 170 N -3.36 4.26 0.34 1.34 1.43 -0.40 -3.60 118.68 118.69 1s7y s LEU 170 Ca -0.02 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 1s7y s LEU 170 Cb 0.07 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1s7y s LEU 170 CO 0.41 -0.02 0.18 0.68 0.23 0.00 0.00 176.35 177.83 1s7y s VAL 171 N 0.74 3.17 -0.63 -1.59 -7.23 -0.44 -4.79 120.40 109.64 1s7y s VAL 171 Ca 0.26 -1.60 0.25 0.00 -1.81 0.00 0.00 61.98 59.08 1s7y s VAL 171 Cb -0.15 -3.04 0.29 0.00 0.56 0.00 0.00 36.38 34.04 1s7y s VAL 171 CO 0.10 -0.18 1.69 0.11 -0.31 0.00 0.00 175.10 176.52 1s7y h LYS 172 N 1.47 0.00 -3.10 4.82 1.79 -1.92 0.20 116.57 119.83 1s7y h LYS 172 Ca -0.44 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1s7y h LYS 172 Cb 1.25 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.80 1s7y h LYS 172 CO 0.62 0.00 0.15 -1.54 -1.08 0.00 0.00 179.45 177.60 1s7y s SER 173 N -5.05 -0.43 0.26 0.86 1.04 -1.26 -4.83 113.70 104.28 1s7y s SER 173 Ca 0.09 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 1s7y s SER 173 Cb 0.10 0.60 0.30 0.00 0.10 0.00 0.00 66.02 67.13 1s7y s SER 173 CO 0.63 -1.03 1.94 0.78 0.98 0.00 0.00 173.24 176.54 1s7y h ASN 174 N 2.07 1.11 -0.67 7.02 2.35 -1.95 -2.15 115.58 123.37 1s7y h ASN 174 Ca -0.31 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.46 1s7y h ASN 174 Cb 1.29 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 39.33 1s7y h ASN 174 CO 0.37 0.80 0.39 -0.08 -1.65 0.00 0.00 177.43 177.25 1s7y h GLU 175 N 1.31 0.70 -0.72 0.81 4.57 -1.98 0.53 114.58 119.81 1s7y h GLU 175 Ca 0.36 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.45 1s7y h GLU 175 Cb -0.14 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.26 1s7y h GLU 175 CO -0.08 0.47 0.28 1.49 -1.18 0.00 0.00 179.01 179.98 1s7y h GLU 176 N 0.73 1.07 -0.82 1.92 4.81 -1.84 -1.91 114.58 118.54 1s7y h GLU 176 Ca 0.29 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1s7y h GLU 176 Cb 0.14 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1s7y h GLU 176 CO -0.16 0.89 0.41 0.78 -0.73 0.00 0.00 179.01 180.20 1s7y h GLY 177 N 1.03 1.25 1.01 1.92 0.00 -0.64 -1.50 103.07 106.14 1s7y h GLY 177 Ca 0.24 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1s7y h GLY 177 CO -0.02 0.58 0.18 -2.22 0.00 0.00 0.00 176.54 175.06 1s7y h ILE 178 N 1.16 1.25 -0.48 2.60 2.04 -0.58 -2.19 117.51 121.30 1s7y h ILE 178 Ca 0.28 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1s7y h ILE 178 Cb 0.10 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1s7y h ILE 178 CO -0.04 0.32 -0.02 1.56 0.00 0.00 0.00 178.15 179.98 1s7y h GLN 179 N 0.86 0.80 -0.25 2.37 1.08 -1.08 -2.02 115.11 116.87 1s7y h GLN 179 Ca 0.19 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1s7y h GLN 179 Cb 0.31 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1s7y h GLN 179 CO -0.00 0.82 -0.07 -0.09 -0.95 0.00 0.00 178.83 178.54 1s7y h ARG 180 N 0.75 0.39 -0.15 1.46 9.65 -0.99 -2.03 114.38 123.47 1s7y h ARG 180 Ca 0.14 -0.09 -0.17 0.00 -1.10 0.00 0.00 59.98 58.76 1s7y h ARG 180 Cb 0.48 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1s7y h ARG 180 CO 0.02 0.48 -0.62 0.28 2.80 0.00 0.00 179.97 182.93 1s7y h VAL 181 N 0.38 1.33 -0.00 0.20 2.07 -0.90 -2.45 116.25 116.88 1s7y h VAL 181 Ca 0.08 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1s7y h VAL 181 Cb 0.36 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1s7y h VAL 181 CO 0.02 0.59 -0.06 0.18 0.02 0.00 0.00 177.57 178.31 1s7y n LEU 182 N -3.92 0.26 0.00 2.57 4.77 -0.81 -4.07 117.00 115.80 1s7y n LEU 182 Ca -0.04 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1s7y n LEU 182 Cb 0.65 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1s7y n LEU 182 CO 0.48 0.05 0.28 0.35 -1.33 0.00 0.00 177.39 177.22 1s7y n THR 183 N -1.10 0.31 -3.74 -5.08 -2.24 -0.80 -5.08 114.28 96.55 1s7y n THR 183 Ca 0.15 -0.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1s7y n THR 183 Cb 0.26 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 1s7y n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s7y s SER 184 N -0.31 -0.29 -1.23 3.42 1.04 -0.93 -5.04 113.70 110.36 1s7y s SER 184 Ca 0.00 -0.42 -0.21 0.00 0.48 0.00 0.00 55.95 55.80 1s7y s SER 184 Cb 0.00 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1s7y s SER 184 CO 0.00 -1.12 1.86 -0.67 0.98 0.00 0.00 173.24 174.29 1s7y n ASP 185 N -0.44 3.86 -3.82 7.02 -0.08 -1.26 -4.64 116.55 117.19 1s7y n ASP 185 Ca -0.07 -2.79 -0.14 0.00 -1.51 0.00 0.00 54.79 50.28 1s7y n ASP 185 Cb 0.61 -1.73 -0.15 0.00 2.34 0.00 0.00 41.12 42.18 1s7y n ASP 185 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1s7y s TYR 186 N 8.03 0.08 -0.09 -0.67 5.04 -1.26 -1.90 117.35 126.58 1s7y s TYR 186 Ca 0.62 0.06 -0.02 0.00 -2.44 0.00 0.00 57.07 55.29 1s7y s TYR 186 Cb 0.02 -0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.10 1s7y s TYR 186 CO 0.11 -0.06 -0.01 0.00 -1.34 0.00 0.00 175.55 174.25 1s7y s ALA 187 N 0.68 3.22 -0.16 3.97 0.00 0.52 -4.41 121.76 125.58 1s7y s ALA 187 Ca -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1s7y s ALA 187 Cb -0.09 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 1s7y s ALA 187 CO -0.02 0.54 -0.14 0.12 0.00 0.00 0.00 175.76 176.26 1s7y s PHE 188 N -0.71 2.80 -0.43 0.00 5.36 -0.09 -2.35 117.98 122.56 1s7y s PHE 188 Ca 0.11 -1.00 -0.25 0.00 -0.96 0.00 0.00 56.93 54.84 1s7y s PHE 188 Cb -0.12 -1.91 0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1s7y s PHE 188 CO 0.02 -0.46 0.88 -0.51 -1.46 0.00 0.00 175.22 173.70 1s7y s LEU 189 N 0.84 4.06 0.23 6.12 2.01 -0.43 -0.09 118.68 131.42 1s7y s LEU 189 Ca -0.04 0.21 -0.04 0.00 0.01 0.00 0.00 54.13 54.26 1s7y s LEU 189 Cb -0.15 -3.15 -0.03 0.00 0.01 0.00 0.00 46.19 42.88 1s7y s LEU 189 CO -0.00 -0.94 0.27 0.00 1.01 0.00 0.00 176.35 176.69 1s7y s MET 190 N 3.53 1.39 0.14 1.70 0.23 -0.53 -4.52 119.30 121.24 1s7y s MET 190 Ca 0.35 -1.54 -0.30 0.00 -1.03 0.00 0.00 55.69 53.17 1s7y s MET 190 Cb -0.11 0.35 -0.07 0.00 -1.53 0.00 0.00 34.83 33.47 1s7y s MET 190 CO 0.23 -0.51 1.15 -1.21 -2.03 0.00 0.00 175.02 172.65 1s7y s GLU 191 N -4.00 4.51 0.35 3.16 2.02 -1.26 -0.91 118.70 122.57 1s7y s GLU 191 Ca 0.33 1.77 0.13 0.00 0.02 0.00 0.00 54.97 57.23 1s7y s GLU 191 Cb 0.04 -3.29 0.97 0.00 0.10 0.00 0.00 34.13 31.95 1s7y s GLU 191 CO 0.13 -0.07 1.75 0.66 0.02 0.00 0.00 175.26 177.74 1s7y h SER 192 N 5.69 0.59 -0.03 -0.19 4.64 -1.01 0.34 113.55 123.59 1s7y h SER 192 Ca -0.43 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 1s7y h SER 192 Cb 1.21 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1s7y h SER 192 CO 0.76 0.11 -0.13 0.71 -0.87 0.00 0.00 176.83 177.40 1s7y h THR 193 N 0.52 1.20 0.14 2.95 1.35 -1.90 -1.20 112.91 115.96 1s7y h THR 193 Ca 0.62 -0.89 -0.28 0.00 -0.55 0.00 0.00 66.41 65.31 1s7y h THR 193 Cb 1.32 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1s7y h THR 193 CO -0.39 0.28 -1.26 0.74 -0.25 0.00 0.00 175.52 174.65 1s7y h THR 194 N 0.31 1.48 -0.83 6.82 2.02 -1.36 -3.11 112.91 118.23 1s7y h THR 194 Ca 0.06 -3.02 -0.01 0.00 0.77 0.00 0.00 66.41 64.21 1s7y h THR 194 Cb 0.43 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.74 1s7y h THR 194 CO 0.03 0.88 0.47 0.40 0.37 0.00 0.00 175.52 177.67 1s7y h ILE 195 N 0.09 1.24 -0.56 3.11 2.04 -0.99 -0.89 117.51 121.55 1s7y h ILE 195 Ca -0.14 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1s7y h ILE 195 Cb 1.98 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1s7y h ILE 195 CO 0.21 0.27 0.27 -0.08 0.00 0.00 0.00 178.15 178.82 1s7y h GLU 196 N 1.16 0.50 -0.29 2.37 4.81 -1.25 0.21 114.58 122.09 1s7y h GLU 196 Ca 0.29 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1s7y h GLU 196 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1s7y h GLU 196 CO -0.05 0.33 0.02 0.35 -0.73 0.00 0.00 179.01 178.93 1s7y h PHE 197 N 0.51 0.54 0.07 0.92 3.57 -1.38 -2.95 116.94 118.22 1s7y h PHE 197 Ca 0.26 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1s7y h PHE 197 Cb 0.20 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1s7y h PHE 197 CO -0.11 0.61 -0.04 0.28 -2.23 0.00 0.00 178.31 176.83 1s7y h VAL 198 N 0.30 1.06 0.00 1.41 2.07 -0.67 -3.10 116.25 117.32 1s7y h VAL 198 Ca 0.09 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1s7y h VAL 198 Cb 0.38 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1s7y h VAL 198 CO 0.01 0.12 -0.10 0.71 0.02 0.00 0.00 177.57 178.33 1s7y h THR 199 N -0.32 0.62 0.00 2.57 1.35 -1.07 -0.55 112.91 115.51 1s7y h THR 199 Ca -0.01 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1s7y h THR 199 Cb 0.27 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1s7y h THR 199 CO 0.02 0.10 0.00 -0.61 -0.25 0.00 0.00 175.52 174.78 1s7y h GLN 200 N 0.00 0.00 -0.00 4.72 5.75 -1.44 -3.19 115.11 120.95 1s7y h GLN 200 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1s7y h GLN 200 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1s7y h GLN 200 CO 0.01 0.00 -0.01 0.54 -2.65 0.00 0.00 178.83 176.73 1s7y n ARG 201 N -2.48 -0.20 -3.51 1.69 1.74 -0.34 -4.87 116.66 108.69 1s7y n ARG 201 Ca 0.03 -0.57 -0.29 0.00 -0.77 0.00 0.00 57.85 56.25 1s7y n ARG 201 Cb 0.32 -1.00 -0.13 0.00 -1.02 0.00 0.00 32.46 30.63 1s7y n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s7y s ASN 202 N -0.23 3.26 0.20 0.55 3.84 -0.48 -5.00 114.94 117.08 1s7y s ASN 202 Ca 0.02 -1.81 0.12 0.00 0.21 0.00 0.00 52.86 51.40 1s7y s ASN 202 Cb 0.02 -0.41 0.66 0.00 -0.55 0.00 0.00 41.25 40.97 1s7y s ASN 202 CO 0.03 -0.37 1.34 0.00 -2.79 0.00 0.00 177.10 175.32 1s7y n ASN 204 N -1.92 0.84 -4.75 0.00 3.02 -1.26 -4.91 115.26 106.27 1s7y n ASN 204 Ca -0.01 -0.65 -0.24 0.00 -0.03 0.00 0.00 54.58 53.65 1s7y n ASN 204 Cb 0.07 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 1s7y n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s7y s LEU 205 N -2.70 3.58 0.16 3.41 1.43 -0.31 -1.92 118.68 122.33 1s7y s LEU 205 Ca 0.19 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 1s7y s LEU 205 Cb 0.18 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.32 1s7y s LEU 205 CO 0.60 0.01 0.57 0.28 0.23 0.00 0.00 176.35 178.04 1s7y s THR 206 N -2.03 0.01 0.22 5.49 -1.32 -0.17 -4.75 115.64 113.09 1s7y s THR 206 Ca 0.31 -0.19 -0.24 0.00 -1.21 0.00 0.00 61.69 60.36 1s7y s THR 206 Cb -0.08 -1.11 -0.08 0.00 -1.51 0.00 0.00 72.50 69.72 1s7y s THR 206 CO 0.22 -0.06 0.80 -1.58 -2.21 0.00 0.00 174.62 171.80 1s7y s GLN 207 N -3.77 4.49 -0.23 7.08 0.74 -1.26 -1.89 119.66 124.82 1s7y s GLN 207 Ca 0.02 1.12 -0.05 0.00 0.05 0.00 0.00 55.36 56.50 1s7y s GLN 207 Cb -0.01 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.03 1s7y s GLN 207 CO -0.11 0.46 0.00 0.42 -0.55 0.00 0.00 175.29 175.50 1s7y s ILE 208 N -1.36 3.76 0.00 -2.34 -1.09 0.56 -4.95 121.20 115.78 1s7y s ILE 208 Ca 0.41 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1s7y s ILE 208 Cb -0.20 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1s7y s ILE 208 CO 0.24 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 1s7y n GLY 209 N 4.79 -1.26 0.00 6.18 0.00 -1.21 -3.79 105.19 109.90 1s7y n GLY 209 Ca -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1s7y n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s7y n GLY 210 N 0.00 2.33 3.74 -0.02 0.00 -1.26 -4.90 105.19 105.07 1s7y n GLY 210 Ca 0.00 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 1s7y n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s7y s LEU 211 N 0.00 4.44 0.33 0.99 1.02 -1.26 -4.64 118.68 119.56 1s7y s LEU 211 Ca 0.00 1.51 0.20 0.00 0.02 0.00 0.00 54.13 55.86 1s7y s LEU 211 Cb 0.00 -3.31 0.17 0.00 0.02 0.00 0.00 46.19 43.07 1s7y s LEU 211 CO 0.00 -0.03 1.43 0.40 0.02 0.00 0.00 176.35 178.17 1s7y h ILE 212 N 4.21 0.30 -2.72 -0.59 2.04 -0.42 -3.48 117.51 116.85 1s7y h ILE 212 Ca -0.43 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 63.95 1s7y h ILE 212 Cb 1.21 2.07 0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1s7y h ILE 212 CO 0.72 0.17 0.18 -0.90 0.00 0.00 0.00 178.15 178.32 1s7y n ASP 213 N -3.07 -1.60 -3.88 1.72 5.75 -1.26 -4.92 116.55 109.30 1s7y n ASP 213 Ca 0.02 -2.13 -0.17 0.00 -0.01 0.00 0.00 54.79 52.50 1s7y n ASP 213 Cb 0.62 2.66 -0.15 0.00 -1.03 0.00 0.00 41.12 43.22 1s7y n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1s7y s SER 214 N -2.45 0.54 0.20 -1.12 0.15 -1.26 -3.84 113.70 105.91 1s7y s SER 214 Ca 0.11 -0.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.63 1s7y s SER 214 Cb -0.03 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1s7y s SER 214 CO 0.09 -0.03 0.39 2.29 1.20 0.00 0.00 173.24 177.17 1s7y n LYS 215 N 3.67 0.56 -4.07 5.44 2.85 -0.02 -4.99 118.16 121.60 1s7y n LYS 215 Ca -0.21 -1.19 -0.09 0.00 -1.05 0.00 0.00 58.31 55.76 1s7y n LYS 215 Cb 0.53 1.43 -0.09 0.00 -0.65 0.00 0.00 35.03 36.26 1s7y n LYS 215 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1s7y s GLY 216 N -2.07 0.74 -0.14 2.58 0.00 -1.26 -1.11 107.32 106.06 1s7y s GLY 216 Ca 0.09 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 1s7y s GLY 216 CO 0.07 -1.15 0.11 -0.19 0.00 0.00 0.00 173.10 171.94 1s7y s TYR 217 N -4.00 3.45 0.15 1.90 4.12 -0.36 -0.77 117.35 121.84 1s7y s TYR 217 Ca 0.20 0.39 -0.01 0.00 0.02 0.00 0.00 57.07 57.67 1s7y s TYR 217 Cb 0.06 -1.97 -0.04 0.00 -1.52 0.00 0.00 41.96 38.48 1s7y s TYR 217 CO 0.00 0.55 0.06 0.20 0.02 0.00 0.00 175.55 176.37 1s7y s GLY 218 N -0.59 1.08 0.04 0.71 0.00 -0.72 -0.88 107.32 106.96 1s7y s GLY 218 Ca 0.12 -1.52 -0.28 0.00 0.00 0.00 0.00 44.72 43.04 1s7y s GLY 218 CO 0.02 -1.40 0.88 0.14 0.00 0.00 0.00 173.10 172.74 1s7y s VAL 219 N -4.00 4.73 0.11 1.40 1.01 -1.26 -4.47 120.40 117.93 1s7y s VAL 219 Ca 0.26 1.86 -0.03 0.00 0.00 0.00 0.00 61.98 64.07 1s7y s VAL 219 Cb 0.07 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1s7y s VAL 219 CO 0.03 0.28 0.32 -0.83 0.00 0.00 0.00 175.10 174.91 1s7y s GLY 220 N 0.35 2.22 0.10 4.51 0.00 -0.53 -1.23 107.32 112.74 1s7y s GLY 220 Ca 0.45 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1s7y s GLY 220 CO 0.26 -0.58 0.08 -0.51 0.00 0.00 0.00 173.10 172.36 1s7y s THR 221 N -1.60 0.15 0.59 0.90 -4.23 -0.15 -0.92 115.64 110.37 1s7y s THR 221 Ca 0.39 -1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1s7y s THR 221 Cb -0.12 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1s7y s THR 221 CO 0.25 -0.67 1.19 -2.84 -0.54 0.00 0.00 174.62 172.01 1s7y s PRO 222 N -3.95 3.04 0.28 3.99 0.02 -1.26 -1.93 135.00 135.18 1s7y s PRO 222 Ca 0.13 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.63 1s7y s PRO 222 Cb 0.07 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 1s7y s PRO 222 CO -0.05 -1.14 1.39 -0.12 -0.33 0.00 0.00 177.00 176.75 1s7y n MET 223 N -1.56 2.16 -0.66 5.54 0.00 -1.26 -1.66 117.12 119.68 1s7y n MET 223 Ca 0.13 0.77 0.00 0.00 -0.00 0.00 0.00 57.70 58.60 1s7y n MET 223 Cb 0.50 -2.41 0.00 0.00 0.00 0.00 0.00 33.22 31.31 1s7y n MET 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1s7y n GLY 224 N 1.65 1.17 3.75 -5.12 0.00 -1.26 -4.96 105.19 100.42 1s7y n GLY 224 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1s7y n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s7y s SER 225 N -3.11 6.46 0.00 1.61 0.15 -0.67 -4.88 113.70 113.26 1s7y s SER 225 Ca 0.00 2.87 0.18 0.00 0.70 0.00 0.00 55.95 59.70 1s7y s SER 225 Cb 0.00 -2.63 0.80 0.00 -1.71 0.00 0.00 66.02 62.48 1s7y s SER 225 CO 0.00 -0.84 1.58 -0.81 1.20 0.00 0.00 173.24 174.37 1s7y n PRO 226 N 2.09 0.04 0.14 5.44 -0.04 -1.26 -3.04 135.00 138.37 1s7y n PRO 226 Ca 0.07 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1s7y n PRO 226 Cb 0.38 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1s7y n PRO 226 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s7y h TYR 227 N 0.00 0.00 -0.14 0.54 0.05 -1.96 -3.37 116.97 112.08 1s7y h TYR 227 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1s7y h TYR 227 Cb 0.29 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 1s7y h TYR 227 CO 0.00 0.34 -0.11 -0.09 -1.05 0.00 0.00 178.16 177.25 1s7y h ARG 228 N 0.00 -0.12 0.00 4.88 1.12 -1.93 0.22 114.38 118.55 1s7y h ARG 228 Ca -0.03 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.76 1s7y h ARG 228 Cb 1.28 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.26 1s7y h ARG 228 CO 0.04 -0.08 -0.45 -0.44 -3.11 0.00 0.00 179.97 175.94 1s7y h ASP 229 N -0.12 0.00 -0.31 -3.80 3.32 -1.81 -2.23 116.42 111.47 1s7y h ASP 229 Ca 0.09 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1s7y h ASP 229 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1s7y h ASP 229 CO -0.22 0.45 -0.18 0.11 -1.72 0.00 0.00 179.24 177.68 1s7y h LYS 230 N 0.00 0.66 -0.44 3.56 1.57 -1.60 -2.44 116.57 117.88 1s7y h LYS 230 Ca -0.00 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1s7y h LYS 230 Cb 0.87 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1s7y h LYS 230 CO 0.06 0.90 0.03 0.82 -0.57 0.00 0.00 179.45 180.68 1s7y h ILE 231 N 0.42 1.22 -0.76 1.86 2.04 -0.78 -1.70 117.51 119.81 1s7y h ILE 231 Ca 0.07 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1s7y h ILE 231 Cb 0.71 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1s7y h ILE 231 CO 0.05 0.31 0.29 0.74 0.00 0.00 0.00 178.15 179.54 1s7y h THR 232 N 0.66 1.26 -0.31 -0.27 2.02 -1.30 0.97 112.91 115.94 1s7y h THR 232 Ca 0.14 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1s7y h THR 232 Cb 0.37 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1s7y h THR 232 CO 0.01 0.33 0.16 0.40 0.37 0.00 0.00 175.52 176.79 1s7y h ILE 233 N 1.10 1.15 -0.39 3.11 2.04 -0.91 -1.18 117.51 122.43 1s7y h ILE 233 Ca 0.25 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1s7y h ILE 233 Cb 0.23 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1s7y h ILE 233 CO -0.02 0.15 0.26 0.00 0.00 0.00 0.00 178.15 178.54 1s7y h ALA 234 N 1.02 0.50 -0.45 1.87 0.00 -0.86 -2.27 119.26 119.06 1s7y h ALA 234 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s7y h ALA 234 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1s7y h ALA 234 CO -0.01 -0.04 0.23 0.82 0.00 0.00 0.00 179.25 180.24 1s7y h ILE 235 N 0.53 1.17 -0.88 0.00 2.04 -0.65 -1.64 117.51 118.09 1s7y h ILE 235 Ca 0.14 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1s7y h ILE 235 Cb -0.06 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1s7y h ILE 235 CO -0.03 0.19 0.53 0.25 0.00 0.00 0.00 178.15 179.09 1s7y h LEU 236 N 0.59 1.05 -0.33 1.44 6.46 -1.09 0.93 115.31 124.36 1s7y h LEU 236 Ca 0.16 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1s7y h LEU 236 Cb 0.09 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 1s7y h LEU 236 CO -0.02 0.80 0.16 -0.61 -0.62 0.00 0.00 178.44 178.15 1s7y h GLN 237 N 1.20 0.48 -0.69 1.25 4.15 -1.12 0.55 115.11 120.94 1s7y h GLN 237 Ca 0.31 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1s7y h GLN 237 Cb -0.06 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1s7y h GLN 237 CO -0.06 0.45 0.30 -0.07 -1.93 0.00 0.00 178.83 177.52 1s7y h LEU 238 N 0.40 0.91 0.24 -2.39 3.38 -0.90 -1.58 115.31 115.37 1s7y h LEU 238 Ca 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s7y h LEU 238 Cb 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1s7y h LEU 238 CO -0.01 0.80 -0.12 -0.61 0.09 0.00 0.00 178.44 178.59 1s7y h GLN 239 N 0.99 -0.31 -0.91 1.13 5.75 -0.42 -0.66 115.11 120.68 1s7y h GLN 239 Ca 0.24 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1s7y h GLN 239 Cb 0.15 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1s7y h GLN 239 CO -0.03 -0.07 0.59 1.49 -2.65 0.00 0.00 178.83 178.16 1s7y h GLU 240 N -0.51 1.21 0.00 1.69 4.81 -0.70 -1.98 114.58 119.10 1s7y h GLU 240 Ca -0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1s7y h GLU 240 Cb 0.38 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1s7y h GLU 240 CO 0.05 0.82 0.00 -0.85 -0.73 0.00 0.00 179.01 178.30 1s7y n GLU 241 N -4.38 0.73 -0.79 1.92 0.28 -0.61 -4.90 120.64 112.89 1s7y n GLU 241 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1s7y n GLU 241 Cb 0.03 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.40 1s7y n GLU 241 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s7y n GLY 242 N 1.13 0.60 0.21 -1.84 0.00 -0.74 -4.95 105.19 99.60 1s7y n GLY 242 Ca 0.19 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1s7y n GLY 242 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s7y h LYS 243 N 1.59 0.60 -0.38 1.61 1.63 -1.34 -2.07 116.57 118.21 1s7y h LYS 243 Ca 0.00 -0.39 -0.07 0.00 -0.85 0.00 0.00 60.65 59.34 1s7y h LYS 243 Cb 0.00 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1s7y h LYS 243 CO 0.00 1.00 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.87 1s7y h LEU 244 N 0.45 0.60 -0.44 5.20 3.38 -1.80 0.17 115.31 122.87 1s7y h LEU 244 Ca 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1s7y h LEU 244 Cb 1.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1s7y h LEU 244 CO 0.11 0.71 -0.08 -0.74 0.09 0.00 0.00 178.44 178.53 1s7y h HIS 245 N 0.58 0.93 -0.66 1.13 2.76 -1.83 -1.54 115.15 116.52 1s7y h HIS 245 Ca 0.11 -0.19 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 1s7y h HIS 245 Cb 0.46 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1s7y h HIS 245 CO 0.02 0.93 0.22 1.98 -1.30 0.00 0.00 177.93 179.78 1s7y h MET 246 N 0.67 1.00 -0.49 5.26 1.85 -0.95 -1.73 114.93 120.54 1s7y h MET 246 Ca 0.12 -0.19 -0.12 0.00 -0.61 0.00 0.00 59.70 58.90 1s7y h MET 246 Cb 0.61 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1s7y h MET 246 CO 0.04 0.85 -0.16 0.52 -0.40 0.00 0.00 176.91 177.76 1s7y h MET 247 N 0.97 0.96 -0.27 0.39 2.07 -0.75 -1.08 114.93 117.23 1s7y h MET 247 Ca 0.22 -0.38 -0.02 0.00 -2.07 0.00 0.00 59.70 57.45 1s7y h MET 247 Cb 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 1s7y h MET 247 CO -0.01 1.04 0.09 -0.22 1.07 0.00 0.00 176.91 178.88 1s7y h LYS 248 N 0.85 0.41 -0.74 1.72 1.63 -0.96 -2.17 116.57 117.31 1s7y h LYS 248 Ca 0.12 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1s7y h LYS 248 Cb 0.72 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1s7y h LYS 248 CO 0.06 0.47 0.47 0.93 -3.45 0.00 0.00 179.45 177.92 1s7y h GLU 249 N 0.27 1.00 -0.17 1.90 4.39 -1.20 0.07 114.58 120.83 1s7y h GLU 249 Ca 0.09 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1s7y h GLU 249 Cb 0.22 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1s7y h GLU 249 CO -0.00 0.68 0.09 -0.22 -1.16 0.00 0.00 179.01 178.40 1s7y h LYS 250 N 1.01 0.19 0.00 2.33 3.64 -1.01 0.99 116.57 123.73 1s7y h LYS 250 Ca 0.27 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1s7y h LYS 250 Cb -0.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1s7y h LYS 250 CO -0.05 0.13 -0.50 -1.49 -2.27 0.00 0.00 179.45 175.26 1s7y h TRP 251 N 0.20 0.00 0.00 1.91 4.06 -1.22 -3.37 115.95 117.53 1s7y h TRP 251 Ca 0.07 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.62 1s7y h TRP 251 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.10 1s7y h TRP 251 CO -0.09 0.00 -2.45 0.91 -3.56 0.00 0.00 178.44 173.26 1s7y n TRP 252 N -2.42 0.00 -0.39 0.49 8.01 -0.00 -4.83 117.44 118.30 1s7y n TRP 252 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1s7y n TRP 252 Cb 0.48 -0.96 0.00 0.00 -2.01 0.00 0.00 31.31 28.82 1s7y n TRP 252 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55