#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7r s SER 2 N 0.00 3.39 0.13 1.61 0.01 -1.26 -4.43 113.70 113.14 1i7r s SER 2 Ca 0.00 2.07 -0.06 0.00 1.31 0.00 0.00 55.95 59.27 1i7r s SER 2 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1i7r s SER 2 CO 0.00 -2.79 0.17 -1.00 0.41 0.00 0.00 173.24 170.04 1i7r s HIS 3 N -2.73 0.47 0.08 2.43 0.09 -0.70 -4.97 115.29 109.96 1i7r s HIS 3 Ca 0.65 -0.87 -0.10 0.00 -0.00 0.00 0.00 55.06 54.74 1i7r s HIS 3 Cb -0.21 -0.20 0.01 0.00 -0.00 0.00 0.00 32.58 32.18 1i7r s HIS 3 CO 0.57 -0.60 0.23 -1.54 -0.00 0.00 0.00 174.74 173.41 1i7r s SER 4 N -2.96 0.03 -0.05 1.40 1.04 -1.26 -1.15 113.70 110.75 1i7r s SER 4 Ca 0.15 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.10 1i7r s SER 4 Cb 0.05 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1i7r s SER 4 CO -0.03 -0.71 -0.13 -0.32 0.98 0.00 0.00 173.24 173.03 1i7r s MET 5 N -3.52 1.56 0.01 4.02 1.75 -0.89 -0.94 119.30 121.28 1i7r s MET 5 Ca 0.02 -0.46 -0.01 0.00 -1.25 0.00 0.00 55.69 53.98 1i7r s MET 5 Cb 0.03 -1.34 -0.01 0.00 2.84 0.00 0.00 34.83 36.35 1i7r s MET 5 CO -0.09 0.13 0.01 1.03 -0.65 0.00 0.00 175.02 175.45 1i7r s ARG 6 N 0.30 0.25 -0.12 4.11 1.81 -0.43 -2.45 118.95 122.43 1i7r s ARG 6 Ca -0.08 -0.37 0.03 0.00 -1.72 0.00 0.00 55.73 53.59 1i7r s ARG 6 Cb -0.12 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.48 1i7r s ARG 6 CO 0.02 -0.05 -0.21 0.71 -0.68 0.00 0.00 175.30 175.10 1i7r s TYR 7 N -0.99 2.44 -0.15 -0.53 2.02 -0.46 -1.04 117.35 118.64 1i7r s TYR 7 Ca -0.11 -1.13 0.01 0.00 -0.37 0.00 0.00 57.07 55.47 1i7r s TYR 7 Cb -0.07 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1i7r s TYR 7 CO -0.00 -0.51 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.22 1i7r s PHE 8 N 0.69 2.73 -0.06 2.71 0.08 0.35 -2.47 117.98 122.00 1i7r s PHE 8 Ca -0.11 -1.20 0.04 0.00 0.12 0.00 0.00 56.93 55.78 1i7r s PHE 8 Cb -0.16 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1i7r s PHE 8 CO 0.02 -0.55 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.34 1i7r s PHE 9 N 0.83 1.97 -0.11 0.36 0.08 -0.29 -1.29 117.98 119.52 1i7r s PHE 9 Ca -0.06 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.33 1i7r s PHE 9 Cb -0.15 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 1i7r s PHE 9 CO -0.01 -0.26 -0.15 0.99 -0.10 0.00 0.00 175.22 175.69 1i7r s THR 10 N 0.23 1.48 -0.13 0.64 2.01 -0.20 -1.23 115.64 118.45 1i7r s THR 10 Ca -0.10 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1i7r s THR 10 Cb -0.15 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 1i7r s THR 10 CO 0.05 0.44 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.78 1i7r s SER 11 N 1.03 3.42 -0.11 3.53 0.01 -0.18 -1.01 113.70 120.39 1i7r s SER 11 Ca -0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1i7r s SER 11 Cb -0.15 -1.49 0.02 0.00 0.21 0.00 0.00 66.02 64.61 1i7r s SER 11 CO -0.02 0.13 -0.09 -0.69 0.41 0.00 0.00 173.24 172.97 1i7r s VAL 12 N 0.53 1.14 0.38 3.43 1.01 0.70 -1.57 120.40 126.03 1i7r s VAL 12 Ca -0.12 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1i7r s VAL 12 Cb -0.17 -1.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 1i7r s VAL 12 CO 0.04 0.38 1.00 -0.94 0.00 0.00 0.00 175.10 175.59 1i7r s SER 13 N 1.54 6.94 -0.50 3.32 1.04 -0.72 -0.81 113.70 124.52 1i7r s SER 13 Ca 0.03 1.92 0.05 0.00 0.48 0.00 0.00 55.95 58.43 1i7r s SER 13 Cb -0.13 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.61 1i7r s SER 13 CO -0.07 -0.36 0.45 -2.11 0.98 0.00 0.00 173.24 172.13 1i7r n ARG 14 N 0.00 0.87 -1.45 4.02 1.85 -1.26 -4.22 116.66 116.47 1i7r n ARG 14 Ca 0.05 -3.62 -0.55 0.00 -1.00 0.00 0.00 57.85 52.73 1i7r n ARG 14 Cb 0.50 -1.78 -0.08 0.00 -1.05 0.00 0.00 32.46 30.05 1i7r n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1i7r n PRO 15 N 2.20 0.80 -1.01 2.89 -0.02 -1.26 0.06 135.00 138.64 1i7r n PRO 15 Ca 0.26 0.24 -0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1i7r n PRO 15 Cb 0.45 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1i7r n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7r n GLY 16 N 6.33 0.45 2.09 -1.23 0.00 -1.26 -4.90 105.19 106.66 1i7r n GLY 16 Ca 0.42 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 1i7r n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7r n ARG 17 N -2.39 3.51 0.00 1.61 5.12 0.11 -5.08 116.66 119.54 1i7r n ARG 17 Ca -0.00 -4.15 0.00 0.00 -1.93 0.00 0.00 57.85 51.76 1i7r n ARG 17 Cb 0.09 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.15 1i7r n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i7r n GLY 18 N -0.69 -0.37 3.46 -0.13 0.00 -1.26 -4.95 105.19 101.25 1i7r n GLY 18 Ca 0.42 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1i7r n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7r n GLU 19 N -0.39 -1.99 -1.85 1.61 -0.58 -1.26 -4.53 120.64 111.65 1i7r n GLU 19 Ca 0.00 -0.55 -0.37 0.00 -0.42 0.00 0.00 57.16 55.82 1i7r n GLU 19 Cb 0.00 -2.10 0.05 0.00 -0.57 0.00 0.00 31.44 28.82 1i7r n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1i7r s PRO 20 N -4.22 2.83 0.06 3.49 0.04 -1.26 -4.68 135.00 131.25 1i7r s PRO 20 Ca 0.66 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 1i7r s PRO 20 Cb -0.23 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1i7r s PRO 20 CO 0.65 -1.37 0.83 0.50 0.04 0.00 0.00 177.00 177.64 1i7r s ARG 21 N -3.25 4.55 -0.07 4.56 6.06 0.01 -4.89 118.95 125.92 1i7r s ARG 21 Ca 0.78 1.18 0.01 0.00 -2.50 0.00 0.00 55.73 55.21 1i7r s ARG 21 Cb -0.36 -3.37 0.02 0.00 0.06 0.00 0.00 34.95 31.29 1i7r s ARG 21 CO 0.39 0.24 -0.09 0.12 -2.50 0.00 0.00 175.30 173.46 1i7r s PHE 22 N 0.04 1.29 -0.09 5.12 2.19 -1.26 -0.22 117.98 125.05 1i7r s PHE 22 Ca 0.41 -0.50 0.02 0.00 0.33 0.00 0.00 56.93 57.20 1i7r s PHE 22 Cb -0.21 -1.01 0.01 0.00 -1.31 0.00 0.00 43.02 40.50 1i7r s PHE 22 CO 0.25 -0.32 -0.16 0.42 1.83 0.00 0.00 175.22 177.24 1i7r s ILE 23 N 1.00 1.52 -0.08 3.12 1.01 -0.18 -1.77 121.20 125.82 1i7r s ILE 23 Ca -0.09 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1i7r s ILE 23 Cb -0.15 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 1i7r s ILE 23 CO -0.00 0.44 -0.23 0.00 0.00 0.00 0.00 174.94 175.15 1i7r s ALA 24 N 0.73 2.07 0.06 9.38 0.00 0.40 -1.03 121.76 133.37 1i7r s ALA 24 Ca -0.12 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1i7r s ALA 24 Cb -0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1i7r s ALA 24 CO 0.03 0.31 -0.12 0.14 0.00 0.00 0.00 175.76 176.12 1i7r s VAL 25 N 0.22 0.91 -0.03 0.00 -7.23 -0.41 -0.79 120.40 113.07 1i7r s VAL 25 Ca -0.14 -1.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 1i7r s VAL 25 Cb -0.16 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 1i7r s VAL 25 CO 0.07 -0.26 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.62 1i7r s GLY 26 N -1.62 0.83 0.10 2.32 0.00 -1.09 -0.50 107.32 107.37 1i7r s GLY 26 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.09 1i7r s GLY 26 CO 0.02 -0.39 -0.14 -0.19 0.00 0.00 0.00 173.10 172.39 1i7r s TYR 27 N -0.08 1.34 -0.24 1.90 1.51 -0.21 -0.58 117.35 121.01 1i7r s TYR 27 Ca -0.00 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1i7r s TYR 27 Cb -0.09 -0.72 0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1i7r s TYR 27 CO 0.01 0.11 -0.08 0.08 -1.11 0.00 0.00 175.55 174.56 1i7r s VAL 28 N -1.86 1.76 0.00 0.71 1.01 -0.29 -1.31 120.40 120.42 1i7r s VAL 28 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1i7r s VAL 28 Cb -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1i7r s VAL 28 CO 0.03 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.57 1i7r n ASP 29 N 4.59 0.00 -1.63 3.32 8.00 -0.12 -1.05 116.55 129.67 1i7r n ASP 29 Ca -0.13 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.46 1i7r n ASP 29 Cb 0.44 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.90 1i7r n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i7r n ASP 30 N 5.62 4.96 -4.45 -2.24 8.00 -1.26 -4.91 116.55 122.27 1i7r n ASP 30 Ca 0.00 -2.56 -0.36 0.00 0.71 0.00 0.00 54.79 52.58 1i7r n ASP 30 Cb 0.00 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.38 1i7r n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7r s THR 31 N -2.07 4.17 0.25 -3.53 2.01 -0.21 -5.05 115.64 111.22 1i7r s THR 31 Ca 0.52 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1i7r s THR 31 Cb 0.35 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.85 1i7r s THR 31 CO 0.22 0.38 0.97 -1.58 -0.69 0.00 0.00 174.62 173.93 1i7r s GLN 32 N 1.29 4.81 0.00 4.92 0.74 -1.26 -1.14 119.66 129.02 1i7r s GLN 32 Ca 0.04 1.55 0.00 0.00 0.05 0.00 0.00 55.36 57.00 1i7r s GLN 32 Cb -0.15 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1i7r s GLN 32 CO 0.02 0.45 0.00 1.97 -0.55 0.00 0.00 175.29 177.19 1i7r n PHE 33 N 1.41 0.00 -4.01 1.67 -1.74 0.26 -4.17 117.46 110.88 1i7r n PHE 33 Ca -0.02 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.78 1i7r n PHE 33 Cb 0.47 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.39 1i7r n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i7r s VAL 34 N -1.01 0.05 0.13 1.97 -7.23 -1.23 -0.95 120.40 112.14 1i7r s VAL 34 Ca 0.00 -1.51 -0.20 0.00 -1.81 0.00 0.00 61.98 58.47 1i7r s VAL 34 Cb 0.00 -1.99 0.05 0.00 0.56 0.00 0.00 36.38 35.00 1i7r s VAL 34 CO 0.00 -0.23 0.50 0.00 -0.31 0.00 0.00 175.10 175.06 1i7r s ARG 35 N -4.00 1.16 -0.06 4.82 1.70 -0.81 -2.67 118.95 119.08 1i7r s ARG 35 Ca 0.21 -0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 54.88 1i7r s ARG 35 Cb 0.03 0.52 0.04 0.00 -0.57 0.00 0.00 34.95 34.97 1i7r s ARG 35 CO 0.03 -0.48 0.14 0.12 -1.08 0.00 0.00 175.30 174.04 1i7r s PHE 36 N -3.66 -0.16 -0.10 5.89 5.36 0.03 -0.89 117.98 124.45 1i7r s PHE 36 Ca 0.01 0.47 -0.01 0.00 -0.96 0.00 0.00 56.93 56.45 1i7r s PHE 36 Cb 0.00 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.64 1i7r s PHE 36 CO -0.12 -0.16 -0.04 0.34 -1.46 0.00 0.00 175.22 173.78 1i7r s ASP 37 N 1.10 1.97 0.66 6.13 2.15 -1.26 -0.45 116.67 126.95 1i7r s ASP 37 Ca -0.08 -0.23 0.41 0.00 0.43 0.00 0.00 52.55 53.08 1i7r s ASP 37 Cb -0.11 -0.67 2.28 0.00 -0.30 0.00 0.00 42.92 44.13 1i7r s ASP 37 CO -0.06 -0.16 2.32 0.77 -0.17 0.00 0.00 175.17 177.88 1i7r h SER 38 N 8.24 0.00 1.40 -0.34 4.64 -1.75 -1.47 113.55 124.27 1i7r h SER 38 Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1i7r h SER 38 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1i7r h SER 38 CO 0.34 0.00 -0.62 0.44 -0.87 0.00 0.00 176.83 176.13 1i7r h ASP 39 N 0.00 0.00 -4.17 4.97 3.32 -1.95 -3.48 116.42 115.12 1i7r h ASP 39 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1i7r h ASP 39 Cb 0.06 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.74 1i7r h ASP 39 CO -0.00 0.17 0.29 0.00 -1.72 0.00 0.00 179.24 177.97 1i7r s ALA 40 N -3.18 1.82 0.06 3.45 0.00 -0.55 -5.00 121.76 118.35 1i7r s ALA 40 Ca 0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1i7r s ALA 40 Cb 0.07 -3.14 -0.26 0.00 0.00 0.00 0.00 23.12 19.79 1i7r s ALA 40 CO 0.74 -2.12 1.14 0.00 0.00 0.00 0.00 175.76 175.52 1i7r h ALA 41 N -1.37 0.06 -0.63 0.00 0.00 -1.92 -3.35 119.26 112.04 1i7r h ALA 41 Ca -0.49 -0.72 0.07 0.00 0.00 0.00 0.00 54.91 53.77 1i7r h ALA 41 Cb 1.28 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1i7r h ALA 41 CO 0.57 0.65 0.32 0.66 0.00 0.00 0.00 179.25 181.45 1i7r h SER 42 N 0.29 0.43 -3.41 0.00 4.64 -1.94 -3.46 113.55 110.09 1i7r h SER 42 Ca -0.15 0.04 -0.28 0.00 -0.47 0.00 0.00 61.79 60.94 1i7r h SER 42 Cb 1.76 -0.03 0.05 0.00 -0.31 0.00 0.00 62.40 63.87 1i7r h SER 42 CO 0.21 0.27 -0.43 0.00 -0.87 0.00 0.00 176.83 176.02 1i7r n GLN 43 N -4.86 -3.75 -4.18 4.77 1.13 -1.26 -5.02 117.38 104.20 1i7r n GLN 43 Ca 0.08 0.62 -0.11 0.00 -1.94 0.00 0.00 57.00 55.65 1i7r n GLN 43 Cb 0.20 -4.88 -0.10 0.00 0.11 0.00 0.00 30.24 25.57 1i7r n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i7r s ARG 44 N -5.43 0.89 0.35 -1.09 0.52 -1.26 -5.04 118.95 107.90 1i7r s ARG 44 Ca 0.24 -1.38 -0.27 0.00 -0.52 0.00 0.00 55.73 53.80 1i7r s ARG 44 Cb -0.11 -0.20 -0.09 0.00 0.52 0.00 0.00 34.95 35.07 1i7r s ARG 44 CO 0.30 -0.05 1.21 1.41 0.02 0.00 0.00 175.30 178.19 1i7r s MET 45 N -3.86 4.26 0.04 3.54 -2.45 -1.26 -4.71 119.30 114.86 1i7r s MET 45 Ca 0.15 1.97 0.04 0.00 -1.25 0.00 0.00 55.69 56.60 1i7r s MET 45 Cb 0.06 -2.91 -0.02 0.00 1.25 0.00 0.00 34.83 33.21 1i7r s MET 45 CO -0.03 -0.18 -0.12 -1.21 1.05 0.00 0.00 175.02 174.53 1i7r s GLU 46 N -1.97 0.79 0.33 4.11 2.02 -0.07 -4.94 118.70 118.97 1i7r s GLU 46 Ca 0.52 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 54.49 1i7r s GLU 46 Cb -0.34 -0.75 -0.09 0.00 0.10 0.00 0.00 34.13 33.04 1i7r s GLU 46 CO 0.44 0.18 1.13 -1.25 0.02 0.00 0.00 175.26 175.78 1i7r s PRO 47 N -1.24 4.43 0.00 0.39 0.04 -1.26 -1.91 135.00 135.44 1i7r s PRO 47 Ca -0.01 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1i7r s PRO 47 Cb -0.08 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1i7r s PRO 47 CO 0.01 0.01 0.40 0.54 0.04 0.00 0.00 177.00 178.01 1i7r n ARG 48 N 0.74 0.17 -3.92 4.56 5.12 -0.12 -4.88 116.66 118.33 1i7r n ARG 48 Ca 0.01 -0.48 -0.11 0.00 -1.93 0.00 0.00 57.85 55.34 1i7r n ARG 48 Cb 0.45 -0.73 -0.13 0.00 -1.16 0.00 0.00 32.46 30.90 1i7r n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i7r s ALA 49 N -0.16 0.05 0.39 7.54 0.00 -1.24 -4.76 121.76 123.59 1i7r s ALA 49 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1i7r s ALA 49 Cb 0.00 0.07 0.79 0.00 0.00 0.00 0.00 23.12 23.98 1i7r s ALA 49 CO 0.00 -0.07 2.05 -1.35 0.00 0.00 0.00 175.76 176.38 1i7r h PRO 50 N 5.48 0.63 0.00 0.00 0.11 -1.95 -3.04 132.00 133.23 1i7r h PRO 50 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1i7r h PRO 50 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1i7r h PRO 50 CO 0.47 0.42 0.00 0.11 -0.21 0.00 0.00 178.00 178.78 1i7r h TRP 51 N 0.65 0.00 0.00 0.65 5.08 -1.97 -2.85 115.95 117.51 1i7r h TRP 51 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 1i7r h TRP 51 Cb -0.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.08 1i7r h TRP 51 CO -0.00 0.00 -1.05 1.51 -1.28 0.00 0.00 178.44 177.62 1i7r n ILE 52 N -2.72 0.01 0.26 0.12 0.13 -1.15 -4.41 119.36 111.60 1i7r n ILE 52 Ca 0.01 -0.05 0.09 0.00 -1.10 0.00 0.00 62.75 61.70 1i7r n ILE 52 Cb 0.24 0.84 0.68 0.00 -0.84 0.00 0.00 39.64 40.55 1i7r n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i7r h GLU 53 N 0.00 0.00 -0.63 9.51 5.08 -1.58 -2.20 114.58 124.76 1i7r h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i7r h GLU 53 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1i7r h GLU 53 CO 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1i7r n GLN 54 N -4.29 4.34 -2.15 2.33 10.64 -1.26 -4.90 117.38 122.09 1i7r n GLN 54 Ca -0.03 -2.79 -0.38 0.00 -1.83 0.00 0.00 57.00 51.97 1i7r n GLN 54 Cb 0.13 -2.13 -0.00 0.00 -0.86 0.00 0.00 30.24 27.38 1i7r n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1i7r s GLU 55 N -2.45 3.75 0.73 2.61 0.41 -0.83 -4.99 118.70 117.92 1i7r s GLU 55 Ca 0.49 1.93 -0.12 0.00 -0.41 0.00 0.00 54.97 56.85 1i7r s GLU 55 Cb 0.36 -2.49 0.18 0.00 -1.78 0.00 0.00 34.13 30.40 1i7r s GLU 55 CO 0.16 -0.61 0.70 0.41 -0.49 0.00 0.00 175.26 175.43 1i7r n GLY 56 N 0.56 -2.42 0.22 -1.39 0.00 -1.26 -4.83 105.19 96.07 1i7r n GLY 56 Ca 0.07 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.64 1i7r n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i7r h PRO 57 N 0.00 0.00 -0.67 1.61 0.13 -1.99 -2.19 132.00 128.89 1i7r h PRO 57 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1i7r h PRO 57 Cb 0.76 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 1i7r h PRO 57 CO 0.17 0.22 0.10 1.49 -0.23 0.00 0.00 178.00 179.75 1i7r h GLU 58 N 0.00 1.12 0.15 0.86 4.57 -1.99 0.11 114.58 119.40 1i7r h GLU 58 Ca -0.00 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1i7r h GLU 58 Cb 0.43 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1i7r h GLU 58 CO 0.03 1.02 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.89 1i7r h TYR 59 N 1.04 -0.19 -0.17 0.92 3.20 -1.75 -1.98 116.97 118.04 1i7r h TYR 59 Ca 0.20 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1i7r h TYR 59 Cb 0.46 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1i7r h TYR 59 CO 0.03 0.02 0.05 -1.49 -1.64 0.00 0.00 178.16 175.13 1i7r h TRP 60 N -0.37 0.08 -0.57 -3.82 4.06 -1.33 -0.85 115.95 113.15 1i7r h TRP 60 Ca -0.02 0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.98 1i7r h TRP 60 Cb 0.30 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.40 1i7r h TRP 60 CO -0.02 0.04 0.32 -0.44 -3.56 0.00 0.00 178.44 174.78 1i7r h ASP 61 N 0.12 0.49 -0.38 -3.49 3.32 -0.99 -0.67 116.42 114.82 1i7r h ASP 61 Ca 0.07 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1i7r h ASP 61 Cb 0.06 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1i7r h ASP 61 CO -0.09 0.33 0.05 1.23 -1.72 0.00 0.00 179.24 179.05 1i7r h GLY 62 N 0.62 0.70 1.36 2.75 0.00 -1.04 -1.04 103.07 106.41 1i7r h GLY 62 Ca 0.24 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1i7r h GLY 62 CO -0.14 0.44 0.18 0.83 0.00 0.00 0.00 176.54 177.85 1i7r h GLU 63 N 0.49 0.82 -0.36 4.80 4.39 -0.78 -1.44 114.58 122.50 1i7r h GLU 63 Ca 0.12 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1i7r h GLU 63 Cb 0.39 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1i7r h GLU 63 CO 0.01 0.70 0.00 1.15 -1.16 0.00 0.00 179.01 179.71 1i7r h THR 64 N 0.80 1.26 -0.39 1.13 2.02 -0.92 -1.57 112.91 115.24 1i7r h THR 64 Ca 0.18 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1i7r h THR 64 Cb 0.22 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1i7r h THR 64 CO -0.01 0.32 0.13 0.08 0.37 0.00 0.00 175.52 176.42 1i7r h ARG 65 N 0.44 0.60 -0.30 6.66 0.11 -0.92 -2.24 114.38 118.73 1i7r h ARG 65 Ca 0.10 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1i7r h ARG 65 Cb 0.46 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1i7r h ARG 65 CO 0.02 0.59 0.19 0.87 0.10 0.00 0.00 179.97 181.74 1i7r h LYS 66 N 0.48 0.40 0.00 0.08 1.57 -1.24 -2.45 116.57 115.41 1i7r h LYS 66 Ca 0.13 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1i7r h LYS 66 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1i7r h LYS 66 CO -0.01 0.28 -0.35 -0.24 -0.57 0.00 0.00 179.45 178.56 1i7r h VAL 67 N 0.40 1.02 -0.48 0.50 3.04 -1.20 -2.03 116.25 117.50 1i7r h VAL 67 Ca 0.11 -1.32 -0.11 0.00 -1.01 0.00 0.00 66.70 64.36 1i7r h VAL 67 Cb -0.03 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 1i7r h VAL 67 CO -0.02 0.35 -0.15 0.11 -1.01 0.00 0.00 177.57 176.85 1i7r h LYS 68 N 0.00 0.95 -0.69 4.17 1.57 -1.24 -2.10 116.57 119.23 1i7r h LYS 68 Ca -0.00 -0.38 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1i7r h LYS 68 Cb 0.73 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1i7r h LYS 68 CO 0.05 1.04 0.22 0.00 -0.57 0.00 0.00 179.45 180.19 1i7r h ALA 69 N 0.88 1.08 -0.25 3.86 0.00 -0.92 -2.37 119.26 121.53 1i7r h ALA 69 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1i7r h ALA 69 Cb 0.71 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1i7r h ALA 69 CO 0.05 0.63 -0.34 0.45 0.00 0.00 0.00 179.25 180.04 1i7r h HIS 70 N 1.02 0.63 0.47 0.00 3.86 -1.31 -2.46 115.15 117.36 1i7r h HIS 70 Ca 0.23 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1i7r h HIS 70 Cb 0.28 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1i7r h HIS 70 CO 0.02 0.81 -0.38 1.03 0.86 0.00 0.00 177.93 180.28 1i7r h SER 71 N 0.46 -0.99 -0.36 2.45 0.87 -0.97 -2.15 113.55 112.86 1i7r h SER 71 Ca 0.05 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 1i7r h SER 71 Cb 0.81 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1i7r h SER 71 CO 0.07 -0.55 0.24 1.56 -0.53 0.00 0.00 176.83 177.62 1i7r h GLN 72 N -0.84 0.22 -0.26 2.24 1.08 -1.32 -0.30 115.11 115.93 1i7r h GLN 72 Ca -0.05 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.02 1i7r h GLN 72 Cb 0.72 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1i7r h GLN 72 CO -0.01 0.14 -0.34 1.15 -0.95 0.00 0.00 178.83 178.83 1i7r h THR 73 N 0.23 1.29 0.00 -0.54 2.02 -1.05 -2.61 112.91 112.24 1i7r h THR 73 Ca 0.16 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 1i7r h THR 73 Cb 0.35 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1i7r h THR 73 CO -0.03 0.46 -0.24 0.45 0.37 0.00 0.00 175.52 176.53 1i7r h HIS 74 N 0.47 0.00 -0.36 3.16 3.86 -0.43 -0.46 115.15 121.39 1i7r h HIS 74 Ca 0.05 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1i7r h HIS 74 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1i7r h HIS 74 CO 0.03 0.24 -0.16 -0.09 0.86 0.00 0.00 177.93 178.81 1i7r h ARG 75 N 0.00 0.75 -0.27 2.45 2.43 -1.01 -2.27 114.38 116.45 1i7r h ARG 75 Ca -0.00 -0.32 -0.19 0.00 -0.81 0.00 0.00 59.98 58.65 1i7r h ARG 75 Cb 0.86 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1i7r h ARG 75 CO 0.03 0.93 -0.58 0.28 -1.51 0.00 0.00 179.97 179.12 1i7r h VAL 76 N 0.54 1.27 -0.83 0.20 2.07 -1.32 -3.14 116.25 115.04 1i7r h VAL 76 Ca 0.08 -1.76 0.08 0.00 0.82 0.00 0.00 66.70 65.92 1i7r h VAL 76 Cb 0.70 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 1i7r h VAL 76 CO 0.05 0.57 0.49 0.44 0.02 0.00 0.00 177.57 179.15 1i7r h ASP 77 N 0.66 0.74 -0.83 0.57 3.32 -0.99 -2.01 116.42 117.88 1i7r h ASP 77 Ca 0.01 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1i7r h ASP 77 Cb 1.19 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1i7r h ASP 77 CO 0.13 0.45 0.55 -0.07 -1.72 0.00 0.00 179.24 178.58 1i7r h LEU 78 N 0.86 0.95 -0.14 1.55 3.38 -1.36 -2.06 115.31 118.51 1i7r h LEU 78 Ca 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1i7r h LEU 78 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1i7r h LEU 78 CO -0.21 0.69 0.01 1.23 0.09 0.00 0.00 178.44 180.25 1i7r h GLY 79 N 1.13 0.25 0.32 0.83 0.00 -1.56 -2.78 103.07 101.25 1i7r h GLY 79 Ca 0.30 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1i7r h GLY 79 CO -0.07 0.16 -0.20 -0.84 0.00 0.00 0.00 176.54 175.59 1i7r h THR 80 N -0.01 0.49 -0.48 4.70 2.02 -0.86 -1.86 112.91 116.91 1i7r h THR 80 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1i7r h THR 80 Cb 0.32 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1i7r h THR 80 CO 0.00 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 176.03 1i7r h LEU 81 N -0.24 0.62 -0.90 2.58 3.38 -1.46 -0.55 115.31 118.73 1i7r h LEU 81 Ca 0.11 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1i7r h LEU 81 Cb 0.40 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1i7r h LEU 81 CO -0.31 0.55 0.56 -0.09 0.09 0.00 0.00 178.44 179.25 1i7r h ARG 82 N 0.68 0.97 -0.03 1.13 2.43 -1.07 -0.53 114.38 117.95 1i7r h ARG 82 Ca 0.17 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1i7r h ARG 82 Cb 0.12 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1i7r h ARG 82 CO -0.02 0.64 -0.07 0.78 -1.51 0.00 0.00 179.97 179.80 1i7r h GLY 83 N 1.00 0.11 1.13 2.80 0.00 -0.47 -0.55 103.07 107.09 1i7r h GLY 83 Ca 0.41 -0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.73 1i7r h GLY 83 CO -0.19 0.12 0.32 -0.97 0.00 0.00 0.00 176.54 175.81 1i7r h TYR 84 N -0.42 0.01 -0.20 5.60 0.05 -0.59 -0.04 116.97 121.38 1i7r h TYR 84 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i7r h TYR 84 Cb 0.64 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1i7r h TYR 84 CO 0.12 0.01 0.00 0.66 -1.05 0.00 0.00 178.16 177.89 1i7r n TYR 85 N -4.41 0.25 -3.72 4.88 4.01 -0.26 -4.87 117.16 113.04 1i7r n TYR 85 Ca 0.08 -0.21 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 1i7r n TYR 85 Cb 0.51 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.56 1i7r n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1i7r n ASN 86 N 0.83 -5.26 -4.88 7.72 3.02 -0.03 -4.97 115.26 111.69 1i7r n ASN 86 Ca 0.11 -0.99 -0.22 0.00 -0.03 0.00 0.00 54.58 53.46 1i7r n ASN 86 Cb 0.41 -3.00 -0.03 0.00 -0.61 0.00 0.00 39.78 36.55 1i7r n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i7r s GLN 87 N -5.89 3.10 0.94 3.52 -0.21 -0.36 -5.03 119.66 115.73 1i7r s GLN 87 Ca 0.39 -0.96 -0.12 0.00 0.02 0.00 0.00 55.36 54.69 1i7r s GLN 87 Cb -0.16 -2.68 0.15 0.00 1.00 0.00 0.00 33.01 31.33 1i7r s GLN 87 CO 0.88 0.40 1.12 -1.54 -2.12 0.00 0.00 175.29 174.02 1i7r s SER 88 N -3.90 3.24 0.00 5.90 1.04 -1.26 -4.84 113.70 113.87 1i7r s SER 88 Ca 0.34 1.07 0.28 0.00 0.48 0.00 0.00 55.95 58.11 1i7r s SER 88 Cb -0.08 -1.69 1.04 0.00 0.10 0.00 0.00 66.02 65.39 1i7r s SER 88 CO 0.26 -2.73 1.74 1.21 0.98 0.00 0.00 173.24 174.70 1i7r n GLU 89 N -3.90 1.19 -0.03 4.02 4.07 -1.26 -4.00 120.64 120.73 1i7r n GLU 89 Ca 0.06 -0.62 -0.15 0.00 -0.06 0.00 0.00 57.16 56.39 1i7r n GLU 89 Cb 0.58 -1.49 -0.11 0.00 -0.06 0.00 0.00 31.44 30.36 1i7r n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1i7r h ALA 90 N 3.99 0.03 -2.34 4.31 0.00 -1.98 -3.44 119.26 119.83 1i7r h ALA 90 Ca 0.00 -0.46 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 1i7r h ALA 90 Cb 0.44 0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.35 1i7r h ALA 90 CO 0.00 0.06 0.35 0.20 0.00 0.00 0.00 179.25 179.86 1i7r s GLY 91 N -3.89 1.79 -0.08 0.00 0.00 -1.26 -4.62 107.32 99.28 1i7r s GLY 91 Ca -0.16 0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.65 1i7r s GLY 91 CO 0.73 0.59 0.47 -0.45 0.00 0.00 0.00 173.10 174.44 1i7r s SER 92 N -3.34 6.74 0.16 1.64 0.15 -1.26 -4.66 113.70 113.14 1i7r s SER 92 Ca 0.61 0.88 0.07 0.00 0.70 0.00 0.00 55.95 58.21 1i7r s SER 92 Cb -0.16 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1i7r s SER 92 CO 0.51 0.10 -0.14 -1.00 1.20 0.00 0.00 173.24 173.91 1i7r s HIS 93 N 0.11 1.55 -0.08 3.44 3.76 -1.26 -4.98 115.29 117.83 1i7r s HIS 93 Ca 0.26 -0.58 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 1i7r s HIS 93 Cb -0.16 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.78 1i7r s HIS 93 CO 0.12 0.24 -0.14 0.99 -0.85 0.00 0.00 174.74 175.10 1i7r s THR 94 N -2.61 1.31 -0.11 1.30 2.01 -1.26 -1.75 115.64 114.52 1i7r s THR 94 Ca 0.16 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1i7r s THR 94 Cb -0.02 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1i7r s THR 94 CO 0.04 0.40 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 1i7r s VAL 95 N 0.79 3.26 0.03 3.82 1.01 -0.61 -0.58 120.40 128.12 1i7r s VAL 95 Ca -0.12 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1i7r s VAL 95 Cb -0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1i7r s VAL 95 CO 0.02 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.36 1i7r s GLN 96 N 0.01 1.40 -0.03 2.72 -0.21 -0.64 -1.01 119.66 121.91 1i7r s GLN 96 Ca -0.03 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 54.46 1i7r s GLN 96 Cb -0.14 -1.47 0.02 0.00 1.00 0.00 0.00 33.01 32.41 1i7r s GLN 96 CO 0.04 0.38 0.06 0.50 -2.12 0.00 0.00 175.29 174.15 1i7r s ARG 97 N -1.01 0.05 0.06 2.91 3.52 -0.37 -1.63 118.95 122.48 1i7r s ARG 97 Ca 0.07 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 1i7r s ARG 97 Cb -0.08 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.22 1i7r s ARG 97 CO 0.01 -0.06 -0.10 1.41 -0.81 0.00 0.00 175.30 175.75 1i7r s MET 98 N 0.41 0.66 0.05 5.12 -2.45 -0.71 -1.14 119.30 121.24 1i7r s MET 98 Ca -0.03 -0.89 -0.19 0.00 -1.25 0.00 0.00 55.69 53.33 1i7r s MET 98 Cb -0.05 -0.45 0.04 0.00 1.25 0.00 0.00 34.83 35.63 1i7r s MET 98 CO -0.01 0.08 0.43 1.52 1.05 0.00 0.00 175.02 178.08 1i7r s TYR 99 N -1.64 -0.29 -0.09 4.11 -0.85 -1.03 -1.46 117.35 116.11 1i7r s TYR 99 Ca -0.05 0.24 -0.32 0.00 -0.52 0.00 0.00 57.07 56.42 1i7r s TYR 99 Cb -0.08 0.24 0.14 0.00 0.38 0.00 0.00 41.96 42.63 1i7r s TYR 99 CO 0.00 -0.59 1.41 0.20 -1.52 0.00 0.00 175.55 175.06 1i7r s GLY 100 N -2.04 -0.44 0.00 5.49 0.00 -0.67 -1.35 107.32 108.31 1i7r s GLY 100 Ca -0.05 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 1i7r s GLY 100 CO -0.03 1.48 0.00 0.00 0.00 0.00 0.00 173.10 174.56 1i7r s ASP 102 N -0.57 3.86 0.09 0.00 1.01 0.10 -2.10 116.67 119.04 1i7r s ASP 102 Ca -0.06 -0.40 0.07 0.00 0.71 0.00 0.00 52.55 52.86 1i7r s ASP 102 Cb -0.04 -0.65 -0.03 0.00 1.01 0.00 0.00 42.92 43.21 1i7r s ASP 102 CO -0.00 0.26 -0.19 0.68 0.21 0.00 0.00 175.17 176.13 1i7r s VAL 103 N -0.93 1.52 0.00 -1.27 -7.23 -0.30 -1.37 120.40 110.82 1i7r s VAL 103 Ca 0.15 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1i7r s VAL 103 Cb -0.11 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1i7r s VAL 103 CO 0.05 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1i7r n GLY 104 N 1.23 -0.79 0.25 2.32 0.00 -0.73 -1.72 105.19 105.75 1i7r n GLY 104 Ca -0.20 -1.71 0.09 0.00 0.00 0.00 0.00 46.02 44.20 1i7r n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i7r h SER 105 N 0.00 0.00 -0.01 1.61 0.02 -1.90 0.16 113.55 113.43 1i7r h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i7r h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1i7r h SER 105 CO 0.00 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 174.89 1i7r n ASP 106 N -4.18 0.44 -0.63 3.07 5.68 -1.26 -4.53 116.55 115.13 1i7r n ASP 106 Ca -0.03 -1.15 -0.08 0.00 -0.50 0.00 0.00 54.79 53.03 1i7r n ASP 106 Cb 0.18 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.13 1i7r n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i7r n TRP 107 N -0.65 0.00 -3.74 2.11 7.02 0.56 -5.01 117.44 117.72 1i7r n TRP 107 Ca 0.22 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.41 1i7r n TRP 107 Cb 0.18 -1.89 -0.04 0.00 -2.42 0.00 0.00 31.31 27.14 1i7r n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i7r s ARG 108 N -2.43 3.54 0.08 -0.99 0.52 -1.26 -4.77 118.95 113.63 1i7r s ARG 108 Ca 0.00 -0.27 -0.37 0.00 -0.52 0.00 0.00 55.73 54.58 1i7r s ARG 108 Cb 0.00 -2.89 -0.18 0.00 0.52 0.00 0.00 34.95 32.40 1i7r s ARG 108 CO 0.00 0.48 1.15 0.34 0.02 0.00 0.00 175.30 177.29 1i7r n PHE 109 N -0.14 1.01 0.00 -0.53 7.35 -1.26 -1.78 117.46 122.11 1i7r n PHE 109 Ca -0.04 0.83 0.00 0.00 -0.76 0.00 0.00 57.45 57.48 1i7r n PHE 109 Cb 0.52 -2.21 0.00 0.00 0.35 0.00 0.00 39.48 38.15 1i7r n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i7r n LEU 110 N 2.01 1.88 -3.50 -2.13 7.94 -0.47 -4.79 117.00 117.94 1i7r n LEU 110 Ca 0.18 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.93 1i7r n LEU 110 Cb 0.16 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.07 1i7r n LEU 110 CO 0.61 0.30 0.47 -0.60 -1.11 0.00 0.00 177.39 177.06 1i7r s ARG 111 N -1.96 1.07 0.10 1.96 3.52 -1.14 -4.99 118.95 117.52 1i7r s ARG 111 Ca 0.00 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.72 1i7r s ARG 111 Cb 0.00 0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 33.86 1i7r s ARG 111 CO 0.00 -0.38 -0.20 0.20 -0.81 0.00 0.00 175.30 174.11 1i7r s GLY 112 N -1.65 1.22 0.03 8.12 0.00 -1.26 -0.72 107.32 113.05 1i7r s GLY 112 Ca -0.06 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1i7r s GLY 112 CO 0.03 -1.25 -0.06 -0.19 0.00 0.00 0.00 173.10 171.62 1i7r s TYR 113 N -1.24 0.55 -0.30 1.90 1.51 0.67 -4.86 117.35 115.58 1i7r s TYR 113 Ca 0.06 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 1i7r s TYR 113 Cb -0.10 -0.34 0.17 0.00 -0.11 0.00 0.00 41.96 41.58 1i7r s TYR 113 CO 0.04 -0.08 0.87 -1.58 -1.11 0.00 0.00 175.55 173.69 1i7r s HIS 114 N -1.06 -0.96 0.16 2.71 2.46 -1.26 -1.67 115.29 115.67 1i7r s HIS 114 Ca -0.08 1.25 -0.18 0.00 0.47 0.00 0.00 55.06 56.53 1i7r s HIS 114 Cb -0.08 0.42 0.04 0.00 -0.13 0.00 0.00 32.58 32.83 1i7r s HIS 114 CO 0.00 -0.51 0.50 1.14 -2.47 0.00 0.00 174.74 173.40 1i7r s GLN 115 N 2.77 1.25 0.08 2.88 -2.07 -0.54 -1.10 119.66 122.94 1i7r s GLN 115 Ca 0.04 -0.73 0.05 0.00 -1.82 0.00 0.00 55.36 52.90 1i7r s GLN 115 Cb -0.11 0.52 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1i7r s GLN 115 CO -0.16 -0.52 -0.14 0.71 -1.32 0.00 0.00 175.29 173.85 1i7r s TYR 116 N -3.83 1.26 0.04 9.60 2.02 0.54 -1.73 117.35 125.25 1i7r s TYR 116 Ca 0.05 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1i7r s TYR 116 Cb -0.00 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.84 1i7r s TYR 116 CO -0.08 0.07 -0.13 0.00 -1.57 0.00 0.00 175.55 173.85 1i7r s ALA 117 N -1.46 1.06 -0.14 3.71 0.00 -0.65 -1.26 121.76 123.02 1i7r s ALA 117 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1i7r s ALA 117 Cb -0.09 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1i7r s ALA 117 CO 0.02 0.18 -0.17 -0.47 0.00 0.00 0.00 175.76 175.32 1i7r s TYR 118 N -0.90 2.30 -1.52 0.00 5.04 -0.28 -1.62 117.35 120.37 1i7r s TYR 118 Ca -0.00 -1.21 -0.07 0.00 -2.44 0.00 0.00 57.07 53.35 1i7r s TYR 118 Cb -0.08 -1.63 0.06 0.00 0.35 0.00 0.00 41.96 40.66 1i7r s TYR 118 CO 0.01 -0.61 0.56 -0.25 -1.34 0.00 0.00 175.55 173.92 1i7r n ASP 119 N 4.39 -1.53 0.00 4.32 8.00 0.25 -2.00 116.55 129.98 1i7r n ASP 119 Ca -0.19 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1i7r n ASP 119 Cb 0.51 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 1i7r n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7r n GLY 120 N -1.79 1.14 3.37 0.44 0.00 -1.26 -5.03 105.19 102.06 1i7r n GLY 120 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1i7r n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7r s LYS 121 N -0.16 1.42 0.13 1.61 -2.85 -0.85 -5.08 119.74 113.95 1i7r s LYS 121 Ca 0.00 -1.30 -0.35 0.00 -1.00 0.00 0.00 55.97 53.32 1i7r s LYS 121 Cb 0.00 -1.86 -0.16 0.00 -2.06 0.00 0.00 37.83 33.76 1i7r s LYS 121 CO 0.00 0.44 1.35 -0.25 0.10 0.00 0.00 175.35 176.99 1i7r n ASP 122 N 1.04 1.91 -0.00 0.03 8.00 -1.26 -1.12 116.55 125.14 1i7r n ASP 122 Ca -0.18 1.12 -0.01 0.00 0.71 0.00 0.00 54.79 56.42 1i7r n ASP 122 Cb 0.53 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1i7r n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7r n TYR 123 N 2.42 0.00 -3.89 1.24 9.36 -0.39 -4.72 117.16 121.18 1i7r n TYR 123 Ca 0.17 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.28 1i7r n TYR 123 Cb 0.23 -0.08 -0.12 0.00 -0.63 0.00 0.00 39.34 38.73 1i7r n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i7r s ILE 124 N -1.58 0.04 0.01 2.97 2.07 -1.14 -1.21 121.20 122.37 1i7r s ILE 124 Ca -0.05 -0.36 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1i7r s ILE 124 Cb 0.01 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 1i7r s ILE 124 CO 0.07 -0.20 -0.01 0.00 -1.91 0.00 0.00 174.94 172.89 1i7r s ALA 125 N -0.61 0.07 0.13 1.50 0.00 -0.86 -0.34 121.76 121.65 1i7r s ALA 125 Ca -0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1i7r s ALA 125 Cb -0.04 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 1i7r s ALA 125 CO 0.00 -0.04 1.07 -1.17 0.00 0.00 0.00 175.76 175.62 1i7r s LEU 126 N -0.46 4.47 0.94 0.00 2.96 -0.25 -0.54 118.68 125.80 1i7r s LEU 126 Ca -0.05 1.97 -0.14 0.00 -0.22 0.00 0.00 54.13 55.70 1i7r s LEU 126 Cb -0.03 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.22 1i7r s LEU 126 CO -0.00 -0.22 1.17 -0.54 -1.32 0.00 0.00 176.35 175.44 1i7r s LYS 127 N 0.02 0.86 0.51 1.98 1.02 0.71 -4.70 119.74 120.14 1i7r s LYS 127 Ca 0.50 0.11 0.20 0.00 0.02 0.00 0.00 55.97 56.81 1i7r s LYS 127 Cb -0.27 -1.82 1.34 0.00 -0.52 0.00 0.00 37.83 36.56 1i7r s LYS 127 CO 0.32 -2.35 2.11 1.49 -0.92 0.00 0.00 175.35 176.00 1i7r h GLU 128 N -1.61 0.00 0.00 1.68 4.81 -1.89 -1.67 114.58 115.90 1i7r h GLU 128 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1i7r h GLU 128 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1i7r h GLU 128 CO 0.55 0.08 0.00 -0.40 -0.73 0.00 0.00 179.01 178.51 1i7r n ASP 129 N -4.17 0.46 -1.62 1.04 5.68 -1.26 -4.83 116.55 111.85 1i7r n ASP 129 Ca -0.03 0.61 -0.20 0.00 -0.50 0.00 0.00 54.79 54.67 1i7r n ASP 129 Cb 0.16 -0.71 -0.08 0.00 -1.14 0.00 0.00 41.12 39.36 1i7r n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i7r n LEU 130 N -2.00 -1.51 0.00 -2.12 4.77 -0.63 -4.79 117.00 110.73 1i7r n LEU 130 Ca 0.03 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1i7r n LEU 130 Cb 0.23 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 1i7r n LEU 130 CO 0.19 -0.94 -0.46 0.54 -1.33 0.00 0.00 177.39 175.38 1i7r n ARG 131 N -2.48 1.10 -4.32 3.23 1.74 -1.26 -4.61 116.66 110.04 1i7r n ARG 131 Ca -0.20 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.64 1i7r n ARG 131 Cb 0.66 -0.96 -0.08 0.00 -1.02 0.00 0.00 32.46 31.06 1i7r n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1i7r s SER 132 N -2.04 4.25 0.04 0.55 0.01 -1.26 -4.94 113.70 110.32 1i7r s SER 132 Ca 0.00 -0.85 0.08 0.00 1.31 0.00 0.00 55.95 56.49 1i7r s SER 132 Cb 0.00 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 1i7r s SER 132 CO 0.00 -0.11 -0.23 0.26 0.41 0.00 0.00 173.24 173.57 1i7r s TRP 133 N -2.44 2.03 -0.33 2.43 0.52 -1.26 -0.21 118.94 119.69 1i7r s TRP 133 Ca 0.33 -0.39 -0.10 0.00 0.02 0.00 0.00 56.10 55.96 1i7r s TRP 133 Cb -0.03 -1.22 0.01 0.00 -1.15 0.00 0.00 33.47 31.08 1i7r s TRP 133 CO 0.19 0.11 0.16 0.99 0.02 0.00 0.00 176.95 178.41 1i7r s THR 134 N -0.80 4.49 -0.23 2.01 2.01 0.30 -4.91 115.64 118.52 1i7r s THR 134 Ca 0.09 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 1i7r s THR 134 Cb -0.09 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1i7r s THR 134 CO 0.02 -0.02 0.11 0.00 -0.69 0.00 0.00 174.62 174.04 1i7r s ALA 135 N 1.58 3.44 0.33 7.40 0.00 -1.26 -2.03 121.76 131.22 1i7r s ALA 135 Ca 0.03 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.17 1i7r s ALA 135 Cb -0.18 -2.16 0.58 0.00 0.00 0.00 0.00 23.12 21.36 1i7r s ALA 135 CO 0.06 -0.17 1.76 0.00 0.00 0.00 0.00 175.76 177.41 1i7r h ALA 136 N 7.49 1.24 -2.35 0.00 0.00 -1.44 -3.47 119.26 120.73 1i7r h ALA 136 Ca -0.37 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1i7r h ALA 136 Cb 1.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1i7r h ALA 136 CO 0.64 0.53 0.06 -0.40 0.00 0.00 0.00 179.25 180.08 1i7r n ASP 137 N -4.06 -0.57 -0.08 0.00 5.68 -1.26 -5.01 116.55 111.25 1i7r n ASP 137 Ca -0.02 -1.42 -0.07 0.00 -0.50 0.00 0.00 54.79 52.78 1i7r n ASP 137 Cb 0.44 0.95 -0.01 0.00 -1.14 0.00 0.00 41.12 41.37 1i7r n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1i7r h MET 138 N 0.00 0.01 -0.88 0.11 2.86 -2.00 -0.39 114.93 114.64 1i7r h MET 138 Ca -0.09 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1i7r h MET 138 Cb 0.32 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1i7r h MET 138 CO 0.11 0.01 0.57 0.00 1.06 0.00 0.00 176.91 178.65 1i7r h ALA 139 N 1.29 1.16 0.00 6.32 0.00 -1.97 -2.42 119.26 123.64 1i7r h ALA 139 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1i7r h ALA 139 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1i7r h ALA 139 CO -0.29 0.41 -0.17 0.00 0.00 0.00 0.00 179.25 179.19 1i7r h ALA 140 N 1.37 0.99 -0.14 0.00 0.00 -1.47 -2.77 119.26 117.24 1i7r h ALA 140 Ca 0.35 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1i7r h ALA 140 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i7r h ALA 140 CO -0.12 0.22 -0.25 1.96 0.00 0.00 0.00 179.25 181.06 1i7r h GLN 141 N 0.00 0.24 -0.47 0.00 4.20 -0.62 -0.94 115.11 117.53 1i7r h GLN 141 Ca -0.00 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1i7r h GLN 141 Cb 0.75 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1i7r h GLN 141 CO 0.02 0.48 0.06 1.15 -0.67 0.00 0.00 178.83 179.87 1i7r h THR 142 N 0.22 1.25 -0.60 -0.54 2.02 -1.46 -0.80 112.91 113.00 1i7r h THR 142 Ca 0.04 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1i7r h THR 142 Cb 0.56 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1i7r h THR 142 CO 0.04 0.33 0.22 0.74 0.37 0.00 0.00 175.52 177.22 1i7r h THR 143 N 0.65 1.24 -0.72 3.16 2.02 -1.50 -2.45 112.91 115.31 1i7r h THR 143 Ca 0.14 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1i7r h THR 143 Cb 0.42 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1i7r h THR 143 CO 0.01 0.29 0.37 0.50 0.37 0.00 0.00 175.52 177.07 1i7r h LYS 144 N 0.85 1.02 -0.38 6.66 3.64 -0.76 -0.30 116.57 127.30 1i7r h LYS 144 Ca 0.20 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1i7r h LYS 144 Cb 0.24 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1i7r h LYS 144 CO -0.01 0.78 0.03 0.45 -2.27 0.00 0.00 179.45 178.43 1i7r h HIS 145 N 1.00 0.69 -0.17 1.91 3.86 -1.11 -1.58 115.15 119.75 1i7r h HIS 145 Ca 0.25 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1i7r h HIS 145 Cb 0.07 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1i7r h HIS 145 CO 0.00 0.71 0.01 0.87 0.86 0.00 0.00 177.93 180.38 1i7r h LYS 146 N 0.48 0.07 0.00 2.45 1.57 -0.91 -2.35 116.57 117.87 1i7r h LYS 146 Ca 0.11 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1i7r h LYS 146 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1i7r h LYS 146 CO 0.01 0.04 -0.24 -1.49 -0.57 0.00 0.00 179.45 177.21 1i7r h TRP 147 N 0.07 0.00 -0.17 -1.35 4.06 -0.98 -2.39 115.95 115.19 1i7r h TRP 147 Ca 0.08 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.81 1i7r h TRP 147 Cb 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1i7r h TRP 147 CO -0.15 0.24 -0.73 0.93 -3.56 0.00 0.00 178.44 175.17 1i7r h GLU 148 N 0.00 0.80 -0.06 0.49 5.08 -1.00 -0.82 114.58 119.07 1i7r h GLU 148 Ca -0.00 -0.63 -0.14 0.00 -1.00 0.00 0.00 59.36 57.60 1i7r h GLU 148 Cb 0.58 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1i7r h GLU 148 CO 0.03 1.24 -0.57 0.00 -1.00 0.00 0.00 179.01 178.71 1i7r h ALA 149 N 0.56 0.92 -0.40 3.43 0.00 -1.07 -2.68 119.26 120.02 1i7r h ALA 149 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1i7r h ALA 149 Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i7r h ALA 149 CO 0.15 0.71 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1i7r n ALA 150 N -2.46 2.44 -3.83 0.00 0.00 -0.93 -4.97 120.51 110.75 1i7r n ALA 150 Ca -0.02 -0.78 -0.29 0.00 0.00 0.00 0.00 53.44 52.35 1i7r n ALA 150 Cb 0.59 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.07 1i7r n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i7r n HIS 151 N 0.83 -1.76 0.09 0.00 -0.00 -1.01 -4.89 115.22 108.48 1i7r n HIS 151 Ca 0.16 0.59 -0.12 0.00 -0.00 0.00 0.00 57.72 58.35 1i7r n HIS 151 Cb 0.41 -3.59 -0.07 0.00 -0.00 0.00 0.00 29.99 26.73 1i7r n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i7r h VAL 152 N -1.91 1.50 -0.92 1.59 2.07 -1.43 -3.31 116.25 113.83 1i7r h VAL 152 Ca -0.65 -2.80 -0.00 0.00 0.82 0.00 0.00 66.70 64.07 1i7r h VAL 152 Cb 1.37 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 33.75 1i7r h VAL 152 CO 0.55 0.82 0.57 0.00 0.02 0.00 0.00 177.57 179.53 1i7r h ALA 153 N 0.79 1.17 -0.86 1.67 0.00 -1.90 -1.50 119.26 118.63 1i7r h ALA 153 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1i7r h ALA 153 Cb 1.70 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1i7r h ALA 153 CO 0.16 0.61 0.55 0.93 0.00 0.00 0.00 179.25 181.50 1i7r h GLU 154 N 1.26 1.15 -0.39 0.00 3.07 -1.82 -0.21 114.58 117.64 1i7r h GLU 154 Ca 0.33 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.00 1i7r h GLU 154 Cb -0.08 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.57 1i7r h GLU 154 CO -0.06 0.78 -0.19 0.37 -1.40 0.00 0.00 179.01 178.51 1i7r h GLN 155 N 1.17 0.82 -0.56 2.33 4.15 -1.51 -2.99 115.11 118.53 1i7r h GLN 155 Ca 0.31 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1i7r h GLN 155 Cb -0.10 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1i7r h GLN 155 CO -0.06 0.99 0.08 -0.07 -1.93 0.00 0.00 178.83 177.84 1i7r h LEU 156 N 0.63 0.90 -0.62 -2.39 3.38 -0.71 -3.09 115.31 113.41 1i7r h LEU 156 Ca 0.09 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1i7r h LEU 156 Cb 0.74 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1i7r h LEU 156 CO 0.06 0.94 0.33 -0.09 0.09 0.00 0.00 178.44 179.76 1i7r h ARG 157 N 0.82 0.59 -0.69 1.13 2.43 -1.03 -1.09 114.38 116.54 1i7r h ARG 157 Ca 0.17 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1i7r h ARG 157 Cb 0.43 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1i7r h ARG 157 CO 0.01 0.39 0.46 0.00 -1.51 0.00 0.00 179.97 179.32 1i7r h ALA 158 N 1.34 1.61 0.05 2.80 0.00 -1.45 -1.38 119.26 122.22 1i7r h ALA 158 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i7r h ALA 158 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1i7r h ALA 158 CO -0.19 0.32 -0.02 -0.92 0.00 0.00 0.00 179.25 178.44 1i7r h TYR 159 N 0.83 -0.06 -0.54 0.00 3.20 -1.33 -2.00 116.97 117.07 1i7r h TYR 159 Ca 0.28 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 1i7r h TYR 159 Cb 0.07 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1i7r h TYR 159 CO -0.00 0.44 0.03 -0.07 -1.64 0.00 0.00 178.16 176.92 1i7r h LEU 160 N -0.59 0.91 -0.13 2.82 3.38 -0.95 0.13 115.31 120.87 1i7r h LEU 160 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1i7r h LEU 160 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1i7r h LEU 160 CO 0.01 0.98 -0.29 -0.62 0.09 0.00 0.00 178.44 178.60 1i7r n GLU 161 N -4.30 0.28 0.00 1.13 1.02 -0.54 -4.22 120.64 114.00 1i7r n GLU 161 Ca 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1i7r n GLU 161 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1i7r n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i7r n GLY 162 N 1.43 0.78 0.31 0.62 0.00 -0.75 -4.78 105.19 102.80 1i7r n GLY 162 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1i7r n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i7r h THR 163 N 0.00 0.16 -0.34 2.61 2.02 -1.61 -1.62 112.91 114.13 1i7r h THR 163 Ca 0.00 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1i7r h THR 163 Cb 0.00 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.49 1i7r h THR 163 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1i7r h VAL 165 N 0.03 1.32 -0.19 0.00 2.07 -1.51 -1.94 116.25 116.03 1i7r h VAL 165 Ca 0.16 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1i7r h VAL 165 Cb 0.24 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1i7r h VAL 165 CO -0.33 0.48 -0.15 -0.33 0.02 0.00 0.00 177.57 177.26 1i7r h GLU 166 N 0.20 0.44 -0.05 1.57 5.08 -0.87 -1.91 114.58 119.03 1i7r h GLU 166 Ca 0.01 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1i7r h GLU 166 Cb 0.87 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1i7r h GLU 166 CO 0.07 0.77 -0.59 -1.49 -1.00 0.00 0.00 179.01 176.77 1i7r h TRP 167 N 0.11 0.21 0.07 4.33 4.06 -1.33 -1.80 115.95 121.61 1i7r h TRP 167 Ca 0.04 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1i7r h TRP 167 Cb 0.67 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1i7r h TRP 167 CO 0.07 0.71 -0.08 1.25 -3.56 0.00 0.00 178.44 176.84 1i7r h LEU 168 N 0.12 -0.22 -0.75 -4.49 5.85 -1.24 0.24 115.31 114.84 1i7r h LEU 168 Ca -0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1i7r h LEU 168 Cb 1.07 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1i7r h LEU 168 CO 0.09 -0.13 0.40 0.03 -0.34 0.00 0.00 178.44 178.49 1i7r h ARG 169 N -0.18 1.05 -0.23 1.25 3.08 -1.26 0.13 114.38 118.23 1i7r h ARG 169 Ca 0.01 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1i7r h ARG 169 Cb 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1i7r h ARG 169 CO -0.03 0.79 0.02 -0.09 -1.07 0.00 0.00 179.97 179.59 1i7r h ARG 170 N 1.04 0.09 -0.65 0.04 2.43 -0.95 -1.24 114.38 115.15 1i7r h ARG 170 Ca 0.26 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1i7r h ARG 170 Cb 0.06 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1i7r h ARG 170 CO -0.04 0.06 0.39 1.88 -1.51 0.00 0.00 179.97 180.75 1i7r h TYR 171 N 0.09 0.85 -0.93 2.20 0.05 -0.63 -0.60 116.97 118.01 1i7r h TYR 171 Ca 0.11 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.93 1i7r h TYR 171 Cb 0.13 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 37.53 1i7r h TYR 171 CO -0.18 0.58 0.60 -0.07 -1.05 0.00 0.00 178.16 178.04 1i7r h LEU 172 N 0.88 0.99 -0.07 3.88 3.38 -0.13 0.10 115.31 124.34 1i7r h LEU 172 Ca 0.23 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1i7r h LEU 172 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1i7r h LEU 172 CO -0.04 0.67 -0.03 -0.33 0.09 0.00 0.00 178.44 178.80 1i7r h GLU 173 N 1.15 0.14 -0.13 1.13 5.08 -0.86 -2.67 114.58 118.42 1i7r h GLU 173 Ca 0.38 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1i7r h GLU 173 Cb 0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1i7r h GLU 173 CO -0.13 0.51 -0.53 -0.91 -1.00 0.00 0.00 179.01 176.94 1i7r h ASN 174 N -0.23 0.41 -0.70 1.42 -0.26 -0.73 -3.11 115.58 112.38 1i7r h ASN 174 Ca 0.02 -0.21 -0.37 0.00 -0.56 0.00 0.00 56.30 55.17 1i7r h ASN 174 Cb 0.46 -0.12 -0.22 0.00 -1.06 0.00 0.00 38.32 37.38 1i7r h ASN 174 CO 0.01 0.87 0.30 0.61 -1.06 0.00 0.00 177.43 178.16 1i7r n GLY 175 N 0.16 4.77 0.24 2.83 0.00 0.31 -4.79 105.19 108.71 1i7r n GLY 175 Ca -0.02 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 44.78 1i7r n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i7r h LYS 176 N 1.05 0.06 -0.57 1.61 3.64 -1.40 0.40 116.57 121.37 1i7r h LYS 176 Ca 0.45 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.94 1i7r h LYS 176 Cb 2.23 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.94 1i7r h LYS 176 CO 0.79 0.04 -0.04 0.93 -2.27 0.00 0.00 179.45 178.91 1i7r h GLU 177 N 0.06 0.08 0.03 1.90 5.08 -1.88 0.40 114.58 120.26 1i7r h GLU 177 Ca 0.32 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1i7r h GLU 177 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1i7r h GLU 177 CO -0.59 0.05 -0.01 1.15 -1.00 0.00 0.00 179.01 178.61 1i7r h THR 178 N 0.08 0.88 0.00 1.13 2.02 -1.69 -3.37 112.91 111.97 1i7r h THR 178 Ca 0.29 -1.58 -0.13 0.00 0.77 0.00 0.00 66.41 65.77 1i7r h THR 178 Cb 0.46 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1i7r h THR 178 CO -0.52 0.29 -0.60 -0.07 0.37 0.00 0.00 175.52 175.00 1i7r h LEU 179 N -0.98 0.00 -3.60 2.58 3.38 -0.10 -3.13 115.31 113.46 1i7r h LEU 179 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1i7r h LEU 179 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1i7r h LEU 179 CO 0.01 0.60 0.06 0.00 0.09 0.00 0.00 178.44 179.20 1i7r n GLN 180 N -3.70 4.67 -2.47 1.13 6.02 0.14 -4.97 117.38 118.21 1i7r n GLN 180 Ca -0.01 -3.14 -0.24 0.00 -0.01 0.00 0.00 57.00 53.60 1i7r n GLN 180 Cb 0.62 -2.27 0.08 0.00 1.02 0.00 0.00 30.24 29.70 1i7r n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i7r s ARG 181 N -2.82 2.00 -0.17 -1.09 1.70 -1.19 -4.99 118.95 112.39 1i7r s ARG 181 Ca 0.55 -0.76 -0.08 0.00 -0.47 0.00 0.00 55.73 54.97 1i7r s ARG 181 Cb 0.42 -2.31 0.07 0.00 -0.57 0.00 0.00 34.95 32.56 1i7r s ARG 181 CO 0.15 -1.24 0.40 0.99 -1.08 0.00 0.00 175.30 174.52 1i7r s THR 182 N -3.10 -0.28 -0.27 4.99 2.01 -1.26 -4.75 115.64 112.99 1i7r s THR 182 Ca 0.63 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1i7r s THR 182 Cb -0.08 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 71.87 1i7r s THR 182 CO 0.43 0.06 -0.07 -1.81 -0.69 0.00 0.00 174.62 172.54 1i7r s ASP 183 N 1.90 4.49 0.39 3.53 1.01 0.20 -4.92 116.67 123.26 1i7r s ASP 183 Ca -0.06 -1.21 -0.27 0.00 0.71 0.00 0.00 52.55 51.72 1i7r s ASP 183 Cb -0.10 -1.62 -0.10 0.00 1.01 0.00 0.00 42.92 42.11 1i7r s ASP 183 CO -0.12 -0.19 1.38 0.00 0.21 0.00 0.00 175.17 176.45 1i7r s ALA 184 N 1.20 3.40 0.32 5.23 0.00 -1.26 -1.67 121.76 128.98 1i7r s ALA 184 Ca -0.05 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 1i7r s ALA 184 Cb -0.19 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1i7r s ALA 184 CO -0.04 -0.93 1.33 -1.25 0.00 0.00 0.00 175.76 174.87 1i7r s PRO 185 N -2.14 4.34 -0.24 0.00 0.04 -1.26 -4.57 135.00 131.16 1i7r s PRO 185 Ca 0.55 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.61 1i7r s PRO 185 Cb -0.42 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1i7r s PRO 185 CO 0.56 -0.23 0.67 0.15 0.04 0.00 0.00 177.00 178.18 1i7r s LYS 186 N -1.55 4.15 0.27 4.56 -0.14 -0.25 -4.80 119.74 121.97 1i7r s LYS 186 Ca 0.51 0.64 0.09 0.00 -1.36 0.00 0.00 55.97 55.85 1i7r s LYS 186 Cb -0.40 -3.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.08 1i7r s LYS 186 CO 0.51 -0.39 0.02 0.95 -0.76 0.00 0.00 175.35 175.68 1i7r s THR 187 N 2.41 3.52 -0.24 2.17 -4.23 -1.26 -0.36 115.64 117.65 1i7r s THR 187 Ca 0.28 -1.87 -0.37 0.00 -1.18 0.00 0.00 61.69 58.56 1i7r s THR 187 Cb -0.16 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.94 1i7r s THR 187 CO 0.09 -0.37 1.31 -1.38 -0.54 0.00 0.00 174.62 173.73 1i7r s HIS 188 N -2.31 -0.06 0.12 3.99 -3.43 -1.12 -5.00 115.29 107.48 1i7r s HIS 188 Ca 0.32 0.04 0.10 0.00 -0.80 0.00 0.00 55.06 54.72 1i7r s HIS 188 Cb -0.06 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1i7r s HIS 188 CO 0.20 -0.10 -0.26 -1.64 -2.00 0.00 0.00 174.74 170.95 1i7r s MET 189 N -2.21 1.36 0.17 -0.38 -1.94 -1.26 -0.59 119.30 114.45 1i7r s MET 189 Ca 0.11 -1.29 0.10 0.00 -1.71 0.00 0.00 55.69 52.89 1i7r s MET 189 Cb -0.01 -1.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1i7r s MET 189 CO -0.03 0.43 -0.21 0.95 -0.01 0.00 0.00 175.02 176.14 1i7r s THR 190 N -1.06 2.02 -0.05 2.05 -4.23 -0.90 -4.98 115.64 108.48 1i7r s THR 190 Ca 0.12 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1i7r s THR 190 Cb -0.10 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.83 1i7r s THR 190 CO 0.05 -0.21 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.56 1i7r s HIS 191 N -1.80 1.08 -0.10 3.99 2.46 -1.26 -2.07 115.29 117.60 1i7r s HIS 191 Ca 0.17 -0.36 -0.04 0.00 0.47 0.00 0.00 55.06 55.30 1i7r s HIS 191 Cb -0.07 -0.85 0.05 0.00 -0.13 0.00 0.00 32.58 31.58 1i7r s HIS 191 CO 0.08 -0.22 0.20 -1.58 -2.47 0.00 0.00 174.74 170.75 1i7r s HIS 192 N 0.74 -0.27 0.10 3.88 5.04 -0.96 -5.00 115.29 118.82 1i7r s HIS 192 Ca -0.13 0.72 -0.31 0.00 -1.54 0.00 0.00 55.06 53.81 1i7r s HIS 192 Cb -0.15 -0.10 -0.07 0.00 0.04 0.00 0.00 32.58 32.30 1i7r s HIS 192 CO 0.02 -0.27 1.39 0.00 -2.34 0.00 0.00 174.74 173.54 1i7r s ALA 193 N 1.90 3.58 -0.18 1.58 0.00 -1.26 -1.75 121.76 125.63 1i7r s ALA 193 Ca -0.02 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.16 1i7r s ALA 193 Cb -0.12 -3.54 -0.22 0.00 0.00 0.00 0.00 23.12 19.24 1i7r s ALA 193 CO -0.07 -0.66 0.05 1.33 0.00 0.00 0.00 175.76 176.41 1i7r n VAL 194 N 4.06 1.22 -3.42 0.00 0.24 -1.12 -4.94 118.33 114.38 1i7r n VAL 194 Ca 0.12 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1i7r n VAL 194 Cb 0.43 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 1i7r n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i7r n SER 195 N -2.68 0.00 0.02 -1.34 3.41 -1.21 -5.03 113.62 106.79 1i7r n SER 195 Ca -0.29 -0.81 0.13 0.00 -0.26 0.00 0.00 58.87 57.64 1i7r n SER 195 Cb 1.07 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 65.46 1i7r n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i7r n ASP 196 N -1.80 0.31 -0.29 4.04 8.00 -1.26 -3.99 116.55 121.56 1i7r n ASP 196 Ca 0.00 0.24 0.01 0.00 0.71 0.00 0.00 54.79 55.75 1i7r n ASP 196 Cb 0.00 -0.23 0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1i7r n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7r n HIS 197 N -1.63 0.00 -3.93 1.24 1.44 -1.26 -4.94 115.22 106.13 1i7r n HIS 197 Ca 0.06 -0.14 -0.10 0.00 -2.01 0.00 0.00 57.72 55.54 1i7r n HIS 197 Cb 0.36 -0.05 -0.10 0.00 0.12 0.00 0.00 29.99 30.32 1i7r n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1i7r s GLU 198 N -0.37 0.46 0.03 -1.40 2.02 -1.26 -2.19 118.70 116.00 1i7r s GLU 198 Ca 0.03 -0.60 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 1i7r s GLU 198 Cb 0.03 0.18 -0.00 0.00 0.10 0.00 0.00 34.13 34.44 1i7r s GLU 198 CO 0.00 -0.10 0.16 0.00 0.02 0.00 0.00 175.26 175.34 1i7r s ALA 199 N -1.86 -0.28 -0.27 5.21 0.00 0.24 -2.78 121.76 122.02 1i7r s ALA 199 Ca -0.12 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 1i7r s ALA 199 Cb -0.06 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1i7r s ALA 199 CO -0.01 -0.31 0.39 0.99 0.00 0.00 0.00 175.76 176.82 1i7r s THR 200 N -2.27 5.16 -0.23 0.00 2.01 -0.72 0.15 115.64 119.75 1i7r s THR 200 Ca -0.08 0.62 -0.08 0.00 0.31 0.00 0.00 61.69 62.46 1i7r s THR 200 Cb -0.03 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1i7r s THR 200 CO -0.03 0.15 0.09 -0.76 -0.69 0.00 0.00 174.62 173.39 1i7r s LEU 201 N 2.07 3.69 -0.13 4.42 1.02 0.83 -2.26 118.68 128.32 1i7r s LEU 201 Ca 0.16 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.25 1i7r s LEU 201 Cb -0.16 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1i7r s LEU 201 CO 0.10 0.04 -0.14 -0.60 0.02 0.00 0.00 176.35 175.77 1i7r s ARG 202 N 1.18 3.35 -0.23 1.70 3.52 -0.88 -1.77 118.95 125.81 1i7r s ARG 202 Ca 0.05 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1i7r s ARG 202 Cb -0.14 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.61 1i7r s ARG 202 CO 0.04 0.19 0.03 0.00 -0.81 0.00 0.00 175.30 174.75 1i7r s TRP 204 N 1.38 3.18 -0.12 0.00 0.52 0.24 -1.76 118.94 122.37 1i7r s TRP 204 Ca 0.05 0.11 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 1i7r s TRP 204 Cb -0.15 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1i7r s TRP 204 CO 0.02 0.51 -0.05 0.00 0.02 0.00 0.00 176.95 177.45 1i7r s ALA 205 N -1.25 1.22 0.31 0.98 0.00 -0.33 -2.77 121.76 119.91 1i7r s ALA 205 Ca 0.25 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.73 1i7r s ALA 205 Cb -0.12 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 1i7r s ALA 205 CO 0.16 -0.57 -0.06 -0.51 0.00 0.00 0.00 175.76 174.78 1i7r s LEU 206 N 1.75 2.56 -1.49 0.00 1.43 0.51 -1.58 118.68 121.88 1i7r s LEU 206 Ca 0.03 -1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 51.88 1i7r s LEU 206 Cb -0.13 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.34 1i7r s LEU 206 CO -0.07 -0.31 0.14 -1.20 0.23 0.00 0.00 176.35 175.14 1i7r n SER 207 N -0.67 0.07 -4.78 2.29 7.64 -1.00 -1.09 113.62 116.08 1i7r n SER 207 Ca -0.05 -1.26 -0.22 0.00 1.01 0.00 0.00 58.87 58.35 1i7r n SER 207 Cb 0.64 -1.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.05 1i7r n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1i7r s PHE 208 N -4.22 3.01 -0.28 1.43 -0.12 -1.14 -4.58 117.98 112.08 1i7r s PHE 208 Ca 0.08 -0.14 -0.19 0.00 -0.05 0.00 0.00 56.93 56.62 1i7r s PHE 208 Cb -0.04 -1.37 0.08 0.00 -0.63 0.00 0.00 43.02 41.06 1i7r s PHE 208 CO 0.99 0.53 0.70 -0.47 -0.05 0.00 0.00 175.22 176.92 1i7r s TYR 209 N -2.18 -0.98 0.00 3.49 5.04 -0.67 -1.61 117.35 120.44 1i7r s TYR 209 Ca 0.33 2.07 0.00 0.00 -2.44 0.00 0.00 57.07 57.03 1i7r s TYR 209 Cb -0.07 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.76 1i7r s TYR 209 CO 0.24 -0.48 0.00 -0.35 -1.34 0.00 0.00 175.55 173.62 1i7r n PRO 210 N 3.79 0.01 0.02 4.97 -0.04 -1.26 -0.63 135.00 141.86 1i7r n PRO 210 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1i7r n PRO 210 Cb 0.58 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.16 1i7r n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7r h ALA 211 N -2.00 0.88 -2.27 0.55 0.00 -1.97 -3.45 119.26 111.00 1i7r h ALA 211 Ca 0.00 -0.45 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 1i7r h ALA 211 Cb 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 17.74 1i7r h ALA 211 CO 0.00 0.64 0.84 -1.91 0.00 0.00 0.00 179.25 178.82 1i7r n GLU 212 N -4.01 2.19 -3.52 0.00 2.13 -1.26 -4.99 120.64 111.18 1i7r n GLU 212 Ca -0.02 0.79 -0.15 0.00 0.66 0.00 0.00 57.16 58.45 1i7r n GLU 212 Cb 0.52 -2.57 -0.05 0.00 0.27 0.00 0.00 31.44 29.61 1i7r n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1i7r s ILE 213 N 1.21 0.00 -0.14 6.31 2.07 -1.26 -4.69 121.20 124.70 1i7r s ILE 213 Ca 0.80 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.04 1i7r s ILE 213 Cb -0.67 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.94 1i7r s ILE 213 CO 0.39 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.40 1i7r s THR 214 N -1.62 1.49 -0.25 4.00 2.01 -0.34 -4.99 115.64 115.94 1i7r s THR 214 Ca -0.06 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1i7r s THR 214 Cb -0.00 -1.41 0.08 0.00 0.01 0.00 0.00 72.50 71.17 1i7r s THR 214 CO 0.04 0.44 0.05 -0.22 -0.69 0.00 0.00 174.62 174.24 1i7r s LEU 215 N 1.52 1.82 0.20 4.42 2.96 -1.26 -0.25 118.68 128.09 1i7r s LEU 215 Ca 0.05 -1.23 0.03 0.00 -0.22 0.00 0.00 54.13 52.77 1i7r s LEU 215 Cb -0.13 -0.79 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 1i7r s LEU 215 CO -0.10 -0.34 -0.03 0.42 -1.32 0.00 0.00 176.35 174.98 1i7r s THR 216 N 1.69 1.00 0.12 3.68 -4.23 -0.71 -4.92 115.64 112.27 1i7r s THR 216 Ca 0.03 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1i7r s THR 216 Cb -0.17 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1i7r s THR 216 CO -0.15 -0.45 -0.11 0.26 -0.54 0.00 0.00 174.62 173.62 1i7r s TRP 217 N -3.44 2.69 0.10 3.99 0.52 -1.26 -0.46 118.94 121.08 1i7r s TRP 217 Ca 0.25 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.22 1i7r s TRP 217 Cb 0.05 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1i7r s TRP 217 CO 0.06 0.43 -0.10 -0.65 0.02 0.00 0.00 176.95 176.71 1i7r s GLN 218 N -2.28 0.86 -0.24 4.98 -0.21 0.04 -3.03 119.66 119.77 1i7r s GLN 218 Ca 0.21 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 54.40 1i7r s GLN 218 Cb -0.11 -0.51 0.07 0.00 1.00 0.00 0.00 33.01 33.46 1i7r s GLN 218 CO 0.13 0.07 0.02 0.50 -2.12 0.00 0.00 175.29 173.89 1i7r s ARG 219 N -2.93 1.07 -1.63 2.91 3.52 -0.78 -1.23 118.95 119.88 1i7r s ARG 219 Ca 0.07 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1i7r s ARG 219 Cb -0.02 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 1i7r s ARG 219 CO -0.00 -0.72 0.00 -0.25 -0.81 0.00 0.00 175.30 173.52 1i7r n ASP 220 N 4.82 -5.05 0.00 -2.12 9.92 -0.09 -2.22 116.55 121.81 1i7r n ASP 220 Ca -0.08 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1i7r n ASP 220 Cb 0.45 -4.11 0.00 0.00 -0.64 0.00 0.00 41.12 36.82 1i7r n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i7r n GLY 221 N -0.95 1.25 3.85 0.44 0.00 -1.26 -5.05 105.19 103.47 1i7r n GLY 221 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1i7r n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7r s GLU 222 N -0.47 3.82 0.24 1.61 0.41 -0.94 -5.03 118.70 118.33 1i7r s GLU 222 Ca 0.00 0.28 -0.31 0.00 -0.41 0.00 0.00 54.97 54.53 1i7r s GLU 222 Cb 0.00 -3.15 -0.13 0.00 -1.78 0.00 0.00 34.13 29.07 1i7r s GLU 222 CO 0.00 0.66 1.53 -3.47 -0.49 0.00 0.00 175.26 173.49 1i7r n ASP 223 N 1.55 3.26 -0.67 -0.19 -0.08 -1.26 -1.87 116.55 117.28 1i7r n ASP 223 Ca -0.13 1.12 0.04 0.00 -1.51 0.00 0.00 54.79 54.32 1i7r n ASP 223 Cb 0.53 -1.49 0.20 0.00 2.34 0.00 0.00 41.12 42.69 1i7r n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i7r n GLN 224 N 2.54 1.69 -0.29 -0.67 1.13 -1.17 -4.89 117.38 115.73 1i7r n GLN 224 Ca 0.12 -3.10 0.12 0.00 -1.94 0.00 0.00 57.00 52.20 1i7r n GLN 224 Cb 0.33 -1.67 0.27 0.00 0.11 0.00 0.00 30.24 29.28 1i7r n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1i7r h THR 225 N 0.87 0.33 0.00 5.09 2.02 -1.92 0.04 112.91 119.33 1i7r h THR 225 Ca 0.06 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1i7r h THR 225 Cb 1.21 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1i7r h THR 225 CO 0.12 0.04 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1i7r n GLN 226 N -5.23 0.10 -0.18 6.66 6.02 -1.26 -3.27 117.38 120.22 1i7r n GLN 226 Ca 0.20 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.48 1i7r n GLN 226 Cb 0.65 -1.65 0.16 0.00 1.02 0.00 0.00 30.24 30.42 1i7r n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i7r n ASP 227 N -1.84 2.95 -4.82 1.08 8.00 -0.02 -4.97 116.55 116.94 1i7r n ASP 227 Ca 0.05 -1.93 -0.36 0.00 0.71 0.00 0.00 54.79 53.25 1i7r n ASP 227 Cb 0.28 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1i7r n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7r s THR 228 N -1.02 5.36 -0.26 -3.53 2.01 -1.10 -4.62 115.64 112.49 1i7r s THR 228 Ca 0.26 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 1i7r s THR 228 Cb 0.14 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1i7r s THR 228 CO 0.18 0.57 0.32 -0.70 -0.69 0.00 0.00 174.62 174.30 1i7r s GLU 229 N -0.60 4.03 -0.19 4.92 2.12 -0.14 -4.95 118.70 123.89 1i7r s GLU 229 Ca 0.12 -0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 1i7r s GLU 229 Cb -0.12 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.65 1i7r s GLU 229 CO 0.02 -0.20 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.89 1i7r s LEU 230 N 1.82 2.42 0.44 2.70 1.43 -1.26 -1.43 118.68 124.80 1i7r s LEU 230 Ca 0.13 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1i7r s LEU 230 Cb -0.15 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1i7r s LEU 230 CO 0.09 0.01 0.70 0.68 0.23 0.00 0.00 176.35 178.06 1i7r s VAL 231 N 1.28 4.83 0.22 -1.59 -7.23 -1.07 -5.04 120.40 111.81 1i7r s VAL 231 Ca 0.04 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1i7r s VAL 231 Cb -0.14 -3.81 -0.09 0.00 0.56 0.00 0.00 36.38 32.90 1i7r s VAL 231 CO -0.08 -0.69 1.26 -1.61 -0.31 0.00 0.00 175.10 173.67 1i7r s GLU 232 N -4.60 4.43 0.11 4.82 2.02 -1.26 -4.64 118.70 119.57 1i7r s GLU 232 Ca 0.45 2.02 -0.36 0.00 0.02 0.00 0.00 54.97 57.10 1i7r s GLU 232 Cb -0.10 -3.18 -0.16 0.00 0.10 0.00 0.00 34.13 30.79 1i7r s GLU 232 CO 0.41 -0.16 1.44 2.41 0.02 0.00 0.00 175.26 179.38 1i7r n THR 233 N 2.19 0.01 -4.23 3.63 -1.04 -1.26 -4.89 114.28 108.69 1i7r n THR 233 Ca 0.04 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 1i7r n THR 233 Cb 0.43 -1.10 -0.10 0.00 -1.82 0.00 0.00 70.33 67.74 1i7r n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7r s ARG 234 N 0.73 1.02 0.12 -2.82 1.04 -0.64 -4.97 118.95 113.43 1i7r s ARG 234 Ca 0.83 -1.39 -0.30 0.00 -1.04 0.00 0.00 55.73 53.83 1i7r s ARG 234 Cb -0.85 -0.61 -0.06 0.00 -2.04 0.00 0.00 34.95 31.39 1i7r s ARG 234 CO 0.44 0.08 0.97 -1.25 -0.04 0.00 0.00 175.30 175.50 1i7r s PRO 235 N -3.55 4.70 0.40 3.89 0.04 -1.26 -0.48 135.00 138.73 1i7r s PRO 235 Ca 0.14 1.48 0.22 0.00 0.04 0.00 0.00 61.00 62.88 1i7r s PRO 235 Cb 0.01 -3.36 0.28 0.00 0.04 0.00 0.00 34.50 31.47 1i7r s PRO 235 CO 0.00 0.22 1.53 0.00 0.04 0.00 0.00 177.00 178.79 1i7r h ALA 236 N 5.45 0.92 0.00 8.56 0.00 -1.11 -3.47 119.26 129.61 1i7r h ALA 236 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1i7r h ALA 236 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i7r h ALA 236 CO 0.72 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1i7r n GLY 237 N 1.12 1.57 0.83 0.00 0.00 -1.26 -4.93 105.19 102.52 1i7r n GLY 237 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1i7r n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7r n ASP 238 N 0.00 3.72 0.00 1.61 5.68 -1.26 -4.93 116.55 121.37 1i7r n ASP 238 Ca 0.00 -2.90 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 1i7r n ASP 238 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1i7r n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7r n GLY 239 N -0.42 0.70 3.84 6.12 0.00 -1.26 -5.06 105.19 109.11 1i7r n GLY 239 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1i7r n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7r s THR 240 N -2.33 2.43 0.36 2.61 -4.23 -1.26 -4.89 115.64 108.33 1i7r s THR 240 Ca 0.00 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1i7r s THR 240 Cb 0.00 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 1i7r s THR 240 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 1i7r s PHE 241 N -2.55 2.44 0.02 3.99 0.08 -0.63 -0.51 117.98 120.81 1i7r s PHE 241 Ca 0.45 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 1i7r s PHE 241 Cb -0.01 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 1i7r s PHE 241 CO 0.26 0.54 0.01 -0.65 -0.10 0.00 0.00 175.22 175.28 1i7r s GLN 242 N -3.64 0.36 -0.15 0.44 -0.21 0.36 -2.37 119.66 114.45 1i7r s GLN 242 Ca 0.33 -0.58 -0.28 0.00 0.02 0.00 0.00 55.36 54.85 1i7r s GLN 242 Cb 0.05 0.13 0.08 0.00 1.00 0.00 0.00 33.01 34.27 1i7r s GLN 242 CO 0.17 -0.07 0.73 0.21 -2.12 0.00 0.00 175.29 174.21 1i7r s LYS 243 N -1.50 0.93 0.10 2.91 2.20 -0.61 -1.61 119.74 122.15 1i7r s LYS 243 Ca -0.15 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1i7r s LYS 243 Cb -0.09 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1i7r s LYS 243 CO -0.01 -0.23 -0.03 1.67 -0.36 0.00 0.00 175.35 176.40 1i7r s TRP 244 N -0.55 0.81 -0.04 4.03 1.48 -1.26 -1.19 118.94 122.22 1i7r s TRP 244 Ca -0.06 -1.02 -0.02 0.00 -1.06 0.00 0.00 56.10 53.94 1i7r s TRP 244 Cb -0.02 -0.50 0.03 0.00 -1.16 0.00 0.00 33.47 31.83 1i7r s TRP 244 CO 0.06 -0.28 0.09 0.00 -4.06 0.00 0.00 176.95 172.76 1i7r s ALA 245 N -3.78 -0.12 0.06 2.67 0.00 -0.72 -2.59 121.76 117.28 1i7r s ALA 245 Ca 0.14 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1i7r s ALA 245 Cb 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1i7r s ALA 245 CO -0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 175.76 175.46 1i7r s ALA 246 N 1.06 1.04 0.01 0.00 0.00 -0.51 0.55 121.76 123.91 1i7r s ALA 246 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1i7r s ALA 246 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1i7r s ALA 246 CO -0.04 0.13 -0.03 0.14 0.00 0.00 0.00 175.76 175.96 1i7r s VAL 247 N -1.23 0.17 -0.33 0.00 -7.23 -0.73 -0.96 120.40 110.09 1i7r s VAL 247 Ca -0.03 -0.36 -0.15 0.00 -1.81 0.00 0.00 61.98 59.63 1i7r s VAL 247 Cb -0.10 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1i7r s VAL 247 CO 0.02 -0.12 0.36 -0.69 -0.31 0.00 0.00 175.10 174.36 1i7r s VAL 248 N -0.48 5.17 -0.01 1.32 1.01 -1.26 -0.12 120.40 126.03 1i7r s VAL 248 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1i7r s VAL 248 Cb -0.04 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1i7r s VAL 248 CO -0.00 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.29 1i7r s VAL 249 N 2.03 3.59 0.07 2.92 1.01 0.39 -4.90 120.40 125.53 1i7r s VAL 249 Ca 0.12 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 1i7r s VAL 249 Cb -0.16 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 1i7r s VAL 249 CO 0.11 0.43 1.46 -2.84 0.00 0.00 0.00 175.10 174.26 1i7r s PRO 250 N -1.31 4.28 0.39 2.72 0.02 -1.26 0.79 135.00 140.63 1i7r s PRO 250 Ca 0.16 2.11 -0.26 0.00 0.02 0.00 0.00 61.00 63.03 1i7r s PRO 250 Cb -0.11 -3.42 -0.11 0.00 0.02 0.00 0.00 34.50 30.88 1i7r s PRO 250 CO 0.06 -0.55 1.18 0.43 -0.33 0.00 0.00 177.00 177.79 1i7r n SER 251 N 4.73 2.12 0.00 2.53 7.64 -0.93 -1.28 113.62 128.43 1i7r n SER 251 Ca 0.13 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1i7r n SER 251 Cb 0.42 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1i7r n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7r n GLY 252 N 0.94 3.38 1.02 0.23 0.00 -1.26 -4.90 105.19 104.61 1i7r n GLY 252 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1i7r n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7r n GLN 253 N -1.84 3.01 -0.25 1.61 6.02 -0.41 -4.67 117.38 120.85 1i7r n GLN 253 Ca 0.00 -2.45 0.06 0.00 -0.01 0.00 0.00 57.00 54.60 1i7r n GLN 253 Cb 0.00 -1.53 0.19 0.00 1.02 0.00 0.00 30.24 29.92 1i7r n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i7r h GLU 254 N 2.93 0.25 0.00 -1.09 3.07 -1.91 -0.83 114.58 117.01 1i7r h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1i7r h GLU 254 Cb 1.01 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1i7r h GLU 254 CO 0.07 0.17 0.00 0.00 -1.40 0.00 0.00 179.01 177.85 1i7r n GLN 255 N -5.17 0.07 0.12 2.33 0.00 -1.26 -2.45 117.38 111.02 1i7r n GLN 255 Ca 0.15 0.54 0.12 0.00 0.00 0.00 0.00 57.00 57.81 1i7r n GLN 255 Cb 0.47 -1.72 0.26 0.00 0.00 0.00 0.00 30.24 29.26 1i7r n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i7r h ARG 256 N 0.00 0.00 -5.63 2.61 3.08 -1.50 -3.47 114.38 109.46 1i7r h ARG 256 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1i7r h ARG 256 Cb 0.04 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 1i7r h ARG 256 CO 0.00 0.00 -0.39 0.71 -1.07 0.00 0.00 179.97 179.22 1i7r s TYR 257 N -3.16 3.57 -0.03 3.04 1.51 -1.02 -0.92 117.35 120.34 1i7r s TYR 257 Ca 0.08 0.62 0.05 0.00 -1.01 0.00 0.00 57.07 56.81 1i7r s TYR 257 Cb 0.11 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1i7r s TYR 257 CO 0.66 0.54 -0.18 0.95 -1.11 0.00 0.00 175.55 176.41 1i7r s THR 258 N -0.50 1.49 -0.20 -0.71 -4.23 -0.36 -4.39 115.64 106.73 1i7r s THR 258 Ca 0.16 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 59.80 1i7r s THR 258 Cb -0.13 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1i7r s THR 258 CO 0.05 0.42 0.11 0.00 -0.54 0.00 0.00 174.62 174.66 1i7r s HIS 260 N 0.56 3.00 -0.11 0.00 3.76 0.39 -0.36 115.29 122.54 1i7r s HIS 260 Ca 0.06 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1i7r s HIS 260 Cb -0.12 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1i7r s HIS 260 CO 0.00 -0.22 -0.23 0.08 -0.85 0.00 0.00 174.74 173.53 1i7r s VAL 261 N 0.82 2.02 -0.07 -0.90 1.01 -0.94 -1.74 120.40 120.60 1i7r s VAL 261 Ca -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1i7r s VAL 261 Cb -0.14 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1i7r s VAL 261 CO 0.02 0.55 -0.16 -1.10 0.00 0.00 0.00 175.10 174.41 1i7r s GLN 262 N 0.52 2.07 -0.03 2.72 -0.21 0.66 -2.15 119.66 123.23 1i7r s GLN 262 Ca -0.15 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.40 1i7r s GLN 262 Cb -0.17 -1.65 0.07 0.00 1.00 0.00 0.00 33.01 32.25 1i7r s GLN 262 CO 0.05 0.08 0.64 -1.58 -2.12 0.00 0.00 175.29 172.36 1i7r s HIS 263 N 0.55 -0.61 0.27 0.91 2.46 -1.26 -1.19 115.29 116.43 1i7r s HIS 263 Ca -0.15 0.99 -0.00 0.00 0.47 0.00 0.00 55.06 56.36 1i7r s HIS 263 Cb -0.16 0.39 0.49 0.00 -0.13 0.00 0.00 32.58 33.17 1i7r s HIS 263 CO 0.05 -0.61 1.85 1.49 -2.47 0.00 0.00 174.74 175.05 1i7r h GLU 264 N 2.99 1.03 0.00 2.88 4.81 -1.94 -2.38 114.58 121.97 1i7r h GLU 264 Ca -0.28 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1i7r h GLU 264 Cb 1.16 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1i7r h GLU 264 CO 0.39 0.68 0.00 0.41 -0.73 0.00 0.00 179.01 179.76 1i7r n GLY 265 N -1.35 -0.73 3.58 1.92 0.00 -1.26 -4.77 105.19 102.58 1i7r n GLY 265 Ca 0.18 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1i7r n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i7r s LEU 266 N -1.24 3.33 0.38 0.99 1.43 -0.90 -4.20 118.68 118.47 1i7r s LEU 266 Ca 0.08 -0.01 0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1i7r s LEU 266 Cb 0.04 -1.77 0.75 0.00 0.03 0.00 0.00 46.19 45.24 1i7r s LEU 266 CO 0.06 0.30 1.81 1.55 0.23 0.00 0.00 176.35 180.30 1i7r h PRO 267 N 5.76 0.00 -2.35 1.29 0.13 -1.88 -3.44 132.00 131.51 1i7r h PRO 267 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1i7r h PRO 267 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1i7r h PRO 267 CO 0.57 0.38 0.01 -1.59 -0.23 0.00 0.00 178.00 177.14 1i7r s LYS 268 N -4.00 0.85 0.44 0.86 -2.85 -1.26 -5.16 119.74 108.62 1i7r s LYS 268 Ca -0.02 0.33 -0.24 0.00 -1.00 0.00 0.00 55.97 55.04 1i7r s LYS 268 Cb 0.13 0.40 -0.10 0.00 -2.06 0.00 0.00 37.83 36.20 1i7r s LYS 268 CO 0.71 -0.22 1.01 -2.30 0.10 0.00 0.00 175.35 174.65 1i7r n PRO 269 N 1.58 1.32 -3.79 1.78 -0.02 -1.26 -4.99 135.00 129.62 1i7r n PRO 269 Ca -0.18 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 1i7r n PRO 269 Cb 0.56 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1i7r n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i7r s LEU 270 N -0.65 4.29 -0.21 2.45 1.43 -0.91 -4.97 118.68 120.12 1i7r s LEU 270 Ca 0.64 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 1i7r s LEU 270 Cb -0.54 -3.12 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1i7r s LEU 270 CO 0.56 0.06 -0.03 -0.89 0.23 0.00 0.00 176.35 176.29 1i7r s THR 271 N -1.68 1.13 0.04 5.49 2.01 -1.26 -2.21 115.64 119.16 1i7r s THR 271 Ca 0.38 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1i7r s THR 271 Cb -0.12 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1i7r s THR 271 CO 0.27 -0.08 0.04 -0.76 -0.69 0.00 0.00 174.62 173.40 1i7r s LEU 272 N 1.59 3.66 -0.15 4.42 1.43 0.51 -4.94 118.68 125.20 1i7r s LEU 272 Ca -0.03 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1i7r s LEU 272 Cb -0.17 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.88 1i7r s LEU 272 CO -0.07 0.23 0.31 -0.60 0.23 0.00 0.00 176.35 176.45 1i7r s ARG 273 N -1.97 0.22 0.24 1.70 3.52 -1.26 -0.44 118.95 120.95 1i7r s ARG 273 Ca 0.24 0.79 -0.31 0.00 -0.13 0.00 0.00 55.73 56.31 1i7r s ARG 273 Cb -0.12 0.04 -0.12 0.00 -1.56 0.00 0.00 34.95 33.19 1i7r s ARG 273 CO 0.16 -0.24 1.66 1.87 -0.81 0.00 0.00 175.30 177.93 1i7r n TRP 274 N 5.07 2.74 0.00 5.12 -0.00 -1.26 -5.08 117.44 124.03 1i7r n TRP 274 Ca -0.12 0.15 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 1i7r n TRP 274 Cb 0.51 -2.63 0.00 0.00 -0.00 0.00 0.00 31.31 29.19 1i7r n TRP 274 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84