#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7u s SER 2 N 0.00 5.34 0.18 1.61 0.01 -1.26 -3.96 113.70 115.62 1i7u s SER 2 Ca 0.00 1.13 -0.07 0.00 1.31 0.00 0.00 55.95 58.32 1i7u s SER 2 Cb 0.00 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1i7u s SER 2 CO 0.00 -1.41 0.27 -1.00 0.41 0.00 0.00 173.24 171.51 1i7u s HIS 3 N -3.35 0.58 0.07 2.43 3.76 -0.35 -4.95 115.29 113.48 1i7u s HIS 3 Ca 0.59 -0.92 -0.18 0.00 -0.15 0.00 0.00 55.06 54.39 1i7u s HIS 3 Cb -0.11 -0.15 0.04 0.00 1.11 0.00 0.00 32.58 33.47 1i7u s HIS 3 CO 0.52 -0.74 0.43 -1.54 -0.85 0.00 0.00 174.74 172.57 1i7u s SER 4 N -3.02 -0.30 -0.04 1.40 1.04 -1.26 -0.55 113.70 110.95 1i7u s SER 4 Ca 0.23 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1i7u s SER 4 Cb 0.04 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1i7u s SER 4 CO 0.04 -0.74 -0.11 -0.32 0.98 0.00 0.00 173.24 173.09 1i7u s MET 5 N -2.89 1.36 -0.05 4.02 1.75 -0.72 -0.30 119.30 122.48 1i7u s MET 5 Ca -0.03 -0.38 -0.05 0.00 -1.25 0.00 0.00 55.69 53.98 1i7u s MET 5 Cb -0.00 -1.19 0.01 0.00 2.84 0.00 0.00 34.83 36.49 1i7u s MET 5 CO -0.05 0.09 0.15 1.03 -0.65 0.00 0.00 175.02 175.58 1i7u s ARG 6 N 0.41 0.21 -0.09 4.11 0.52 -0.21 -1.77 118.95 122.13 1i7u s ARG 6 Ca -0.08 0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.28 1i7u s ARG 6 Cb -0.12 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.43 1i7u s ARG 6 CO 0.02 -0.03 -0.17 0.71 0.02 0.00 0.00 175.30 175.84 1i7u s TYR 7 N -0.11 2.67 -0.12 -0.53 2.02 -0.41 -0.45 117.35 120.42 1i7u s TYR 7 Ca -0.02 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 1i7u s TYR 7 Cb -0.02 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1i7u s TYR 7 CO 0.00 -0.13 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.58 1i7u s PHE 8 N -0.06 2.65 -0.05 2.71 0.40 -0.10 -2.34 117.98 121.19 1i7u s PHE 8 Ca -0.04 -1.09 0.04 0.00 -0.60 0.00 0.00 56.93 55.24 1i7u s PHE 8 Cb -0.14 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 1i7u s PHE 8 CO 0.04 -0.46 -0.18 -0.06 0.70 0.00 0.00 175.22 175.26 1i7u s PHE 9 N 0.54 1.86 -0.08 0.36 0.08 0.26 -1.41 117.98 119.59 1i7u s PHE 9 Ca -0.13 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.35 1i7u s PHE 9 Cb -0.17 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1i7u s PHE 9 CO 0.04 -0.20 -0.07 0.99 -0.10 0.00 0.00 175.22 175.88 1i7u s THR 10 N 0.09 0.87 -0.11 0.64 2.01 -0.42 -1.30 115.64 117.42 1i7u s THR 10 Ca -0.06 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1i7u s THR 10 Cb -0.13 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1i7u s THR 10 CO 0.03 0.32 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.54 1i7u s SER 11 N 1.24 2.73 -0.10 3.53 0.15 -0.04 -1.27 113.70 119.94 1i7u s SER 11 Ca -0.05 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1i7u s SER 11 Cb -0.14 -1.25 0.02 0.00 -1.71 0.00 0.00 66.02 62.95 1i7u s SER 11 CO -0.02 0.08 -0.09 -0.69 1.20 0.00 0.00 173.24 173.72 1i7u s VAL 12 N 0.69 1.06 0.51 4.45 1.01 -0.50 -1.04 120.40 126.58 1i7u s VAL 12 Ca -0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1i7u s VAL 12 Cb -0.16 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 1i7u s VAL 12 CO 0.02 0.36 0.99 -0.94 0.00 0.00 0.00 175.10 175.54 1i7u s SER 13 N 1.36 6.55 -0.44 3.32 1.04 -0.68 -1.43 113.70 123.41 1i7u s SER 13 Ca -0.02 1.62 0.07 0.00 0.48 0.00 0.00 55.95 58.10 1i7u s SER 13 Cb -0.14 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.70 1i7u s SER 13 CO -0.04 -0.64 0.65 -2.11 0.98 0.00 0.00 173.24 172.08 1i7u n ARG 14 N -1.52 0.68 -1.53 4.02 1.85 -1.26 -4.19 116.66 114.72 1i7u n ARG 14 Ca 0.07 -2.61 -0.53 0.00 -1.00 0.00 0.00 57.85 53.78 1i7u n ARG 14 Cb 0.54 -1.35 -0.06 0.00 -1.05 0.00 0.00 32.46 30.54 1i7u n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1i7u n PRO 15 N 1.69 0.55 -1.02 2.89 -0.02 -1.26 -0.78 135.00 137.04 1i7u n PRO 15 Ca 0.17 0.20 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 1i7u n PRO 15 Cb 0.56 -1.65 -0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1i7u n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7u n GLY 16 N 1.91 0.42 1.91 -1.23 0.00 -1.26 -4.86 105.19 102.08 1i7u n GLY 16 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1i7u n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7u n ARG 17 N -1.94 0.98 0.00 1.61 1.74 0.04 -5.13 116.66 113.96 1i7u n ARG 17 Ca -0.01 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 1i7u n ARG 17 Cb 0.16 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1i7u n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i7u n GLY 18 N -0.11 -2.14 3.84 -0.13 0.00 -1.26 -4.94 105.19 100.46 1i7u n GLY 18 Ca 0.10 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1i7u n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i7u s GLU 19 N -0.17 2.81 0.59 1.61 -1.05 -1.26 -4.61 118.70 116.61 1i7u s GLU 19 Ca 0.00 0.70 -0.19 0.00 -0.15 0.00 0.00 54.97 55.33 1i7u s GLU 19 Cb 0.00 -2.00 -0.05 0.00 -0.44 0.00 0.00 34.13 31.65 1i7u s GLU 19 CO 0.00 -1.13 1.06 -2.30 0.95 0.00 0.00 175.26 173.84 1i7u n PRO 20 N -3.11 1.06 -3.29 -4.83 -0.02 -1.26 -4.76 135.00 118.79 1i7u n PRO 20 Ca 0.07 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1i7u n PRO 20 Cb 0.55 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1i7u n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1i7u s ARG 21 N -2.80 4.19 -0.10 -0.52 3.52 -0.52 -4.87 118.95 117.86 1i7u s ARG 21 Ca 0.75 0.69 0.03 0.00 -0.13 0.00 0.00 55.73 57.07 1i7u s ARG 21 Cb -0.42 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.71 1i7u s ARG 21 CO 0.47 0.58 -0.18 0.12 -0.81 0.00 0.00 175.30 175.48 1i7u s PHE 22 N -0.88 2.13 -0.08 5.12 5.36 -1.26 -1.41 117.98 126.96 1i7u s PHE 22 Ca 0.29 -0.92 0.03 0.00 -0.96 0.00 0.00 56.93 55.36 1i7u s PHE 22 Cb -0.19 -1.48 0.01 0.00 -0.34 0.00 0.00 43.02 41.02 1i7u s PHE 22 CO 0.18 -0.42 -0.16 0.42 -1.46 0.00 0.00 175.22 173.78 1i7u s ILE 23 N 0.65 1.44 -0.04 3.12 -1.09 -0.39 -0.99 121.20 123.90 1i7u s ILE 23 Ca -0.13 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 1i7u s ILE 23 Cb -0.16 -1.30 -0.01 0.00 -1.58 0.00 0.00 42.46 39.42 1i7u s ILE 23 CO 0.04 0.42 -0.18 0.00 -1.23 0.00 0.00 174.94 173.99 1i7u s ALA 24 N 0.68 1.62 0.03 9.38 0.00 -0.12 -1.31 121.76 132.04 1i7u s ALA 24 Ca -0.14 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1i7u s ALA 24 Cb -0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1i7u s ALA 24 CO 0.04 0.31 -0.06 0.14 0.00 0.00 0.00 175.76 176.18 1i7u s VAL 25 N -0.04 0.45 -0.02 0.00 -7.23 -0.50 -1.05 120.40 112.01 1i7u s VAL 25 Ca -0.03 -0.84 0.07 0.00 -1.81 0.00 0.00 61.98 59.37 1i7u s VAL 25 Cb -0.11 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1i7u s VAL 25 CO 0.02 -0.28 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.48 1i7u s GLY 26 N -1.20 1.13 0.07 2.32 0.00 -0.89 -0.92 107.32 107.83 1i7u s GLY 26 Ca -0.08 -0.99 0.05 0.00 0.00 0.00 0.00 44.72 43.71 1i7u s GLY 26 CO 0.00 -0.81 -0.14 -0.19 0.00 0.00 0.00 173.10 171.96 1i7u s TYR 27 N -0.52 1.24 -0.20 1.90 1.51 0.40 -0.93 117.35 120.76 1i7u s TYR 27 Ca 0.08 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1i7u s TYR 27 Cb -0.09 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1i7u s TYR 27 CO -0.01 0.06 -0.16 0.08 -1.11 0.00 0.00 175.55 174.42 1i7u s VAL 28 N -1.19 1.96 0.00 0.71 1.01 -0.38 -1.04 120.40 121.47 1i7u s VAL 28 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1i7u s VAL 28 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1i7u s VAL 28 CO 0.02 0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.92 1i7u n ASP 29 N 4.60 0.00 -2.04 3.32 8.00 0.59 -1.08 116.55 129.94 1i7u n ASP 29 Ca -0.18 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 1i7u n ASP 29 Cb 0.48 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.87 1i7u n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i7u n ASP 30 N 3.94 4.74 -4.16 -2.24 8.00 -1.26 -4.89 116.55 120.68 1i7u n ASP 30 Ca 0.00 -3.28 -0.33 0.00 0.71 0.00 0.00 54.79 51.89 1i7u n ASP 30 Cb 0.00 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.19 1i7u n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7u s THR 31 N -3.04 2.42 0.39 -3.53 2.01 -0.24 -5.03 115.64 108.62 1i7u s THR 31 Ca 0.56 -0.92 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 1i7u s THR 31 Cb 0.45 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 1i7u s THR 31 CO 0.13 0.43 1.04 -1.58 -0.69 0.00 0.00 174.62 173.96 1i7u s GLN 32 N 1.32 4.22 0.00 4.92 0.74 -1.26 -1.24 119.66 128.35 1i7u s GLN 32 Ca 0.03 1.51 0.00 0.00 0.05 0.00 0.00 55.36 56.95 1i7u s GLN 32 Cb -0.14 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.38 1i7u s GLN 32 CO -0.09 -0.09 0.00 1.97 -0.55 0.00 0.00 175.29 176.53 1i7u n PHE 33 N 0.03 0.00 -3.89 1.67 -1.74 -0.11 -4.25 117.46 109.18 1i7u n PHE 33 Ca 0.04 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.84 1i7u n PHE 33 Cb 0.49 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.42 1i7u n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i7u s VAL 34 N -0.75 0.11 0.14 1.97 -7.23 -1.23 -0.47 120.40 112.94 1i7u s VAL 34 Ca 0.00 -1.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.74 1i7u s VAL 34 Cb 0.00 -1.52 0.05 0.00 0.56 0.00 0.00 36.38 35.47 1i7u s VAL 34 CO 0.00 -0.50 0.49 0.00 -0.31 0.00 0.00 175.10 174.78 1i7u s ARG 35 N -3.90 1.16 -0.13 4.82 1.70 -0.56 -2.09 118.95 119.95 1i7u s ARG 35 Ca 0.10 -0.58 -0.10 0.00 -0.47 0.00 0.00 55.73 54.68 1i7u s ARG 35 Cb 0.04 0.52 0.04 0.00 -0.57 0.00 0.00 34.95 34.99 1i7u s ARG 35 CO -0.07 -0.48 0.33 0.12 -1.08 0.00 0.00 175.30 174.13 1i7u s PHE 36 N -3.73 -0.42 -0.10 5.89 5.36 -0.21 -0.68 117.98 124.09 1i7u s PHE 36 Ca 0.02 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 56.94 1i7u s PHE 36 Cb 0.00 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.86 1i7u s PHE 36 CO -0.12 -0.23 -0.03 0.34 -1.46 0.00 0.00 175.22 173.72 1i7u s ASP 37 N 0.71 2.02 0.59 6.13 -1.08 -1.26 -0.95 116.67 122.84 1i7u s ASP 37 Ca -0.04 -0.27 0.39 0.00 -0.52 0.00 0.00 52.55 52.11 1i7u s ASP 37 Cb -0.06 -0.65 1.99 0.00 -1.46 0.00 0.00 42.92 42.74 1i7u s ASP 37 CO -0.05 -0.17 2.19 0.77 0.52 0.00 0.00 175.17 178.43 1i7u h SER 38 N 8.24 0.00 0.86 -0.34 4.64 -1.46 -2.07 113.55 123.42 1i7u h SER 38 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1i7u h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i7u h SER 38 CO 0.34 0.00 -0.76 0.44 -0.87 0.00 0.00 176.83 175.98 1i7u h ASP 39 N 0.00 0.00 -4.26 4.97 5.19 -1.95 -3.48 116.42 116.89 1i7u h ASP 39 Ca 0.00 -0.18 -0.51 0.00 -0.62 0.00 0.00 57.03 55.72 1i7u h ASP 39 Cb 0.16 0.00 0.15 0.00 0.18 0.00 0.00 39.33 39.81 1i7u h ASP 39 CO 0.00 0.09 0.29 0.00 -3.12 0.00 0.00 179.24 176.50 1i7u s ALA 40 N -3.22 1.98 0.06 3.45 0.00 -0.78 -4.99 121.76 118.26 1i7u s ALA 40 Ca 0.04 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1i7u s ALA 40 Cb 0.12 -3.29 -0.20 0.00 0.00 0.00 0.00 23.12 19.75 1i7u s ALA 40 CO 0.75 -2.05 1.21 0.00 0.00 0.00 0.00 175.76 175.67 1i7u h ALA 41 N -1.33 0.18 -0.89 0.00 0.00 -1.92 -3.34 119.26 111.95 1i7u h ALA 41 Ca -0.45 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 53.92 1i7u h ALA 41 Cb 1.25 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1i7u h ALA 41 CO 0.50 0.54 0.58 0.66 0.00 0.00 0.00 179.25 181.53 1i7u h SER 42 N 0.26 0.92 -4.56 0.00 4.64 -1.94 -3.46 113.55 109.42 1i7u h SER 42 Ca -0.08 -0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.85 1i7u h SER 42 Cb 1.41 -0.20 0.07 0.00 -0.31 0.00 0.00 62.40 63.37 1i7u h SER 42 CO 0.15 0.61 -0.60 0.00 -0.87 0.00 0.00 176.83 176.13 1i7u n GLN 43 N -4.47 -5.31 -4.10 4.77 1.13 -1.26 -5.00 117.38 103.15 1i7u n GLN 43 Ca 0.13 0.86 -0.10 0.00 -1.94 0.00 0.00 57.00 55.95 1i7u n GLN 43 Cb 0.15 -5.67 -0.10 0.00 0.11 0.00 0.00 30.24 24.73 1i7u n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i7u s ARG 44 N -5.77 0.65 0.23 -1.09 0.52 -1.26 -5.03 118.95 107.19 1i7u s ARG 44 Ca 0.35 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 1i7u s ARG 44 Cb -0.15 -0.04 -0.09 0.00 0.52 0.00 0.00 34.95 35.19 1i7u s ARG 44 CO 0.43 -0.04 1.18 1.41 0.02 0.00 0.00 175.30 178.29 1i7u s MET 45 N -3.23 4.53 0.09 3.54 -2.45 -1.26 -4.71 119.30 115.81 1i7u s MET 45 Ca 0.03 1.89 0.08 0.00 -1.25 0.00 0.00 55.69 56.45 1i7u s MET 45 Cb 0.02 -3.20 -0.03 0.00 1.25 0.00 0.00 34.83 32.86 1i7u s MET 45 CO -0.05 0.00 -0.22 -1.21 1.05 0.00 0.00 175.02 174.59 1i7u s GLU 46 N -0.80 1.22 0.33 4.11 2.02 0.15 -4.89 118.70 120.82 1i7u s GLU 46 Ca 0.50 -1.15 -0.27 0.00 0.02 0.00 0.00 54.97 54.06 1i7u s GLU 46 Cb -0.33 -1.49 -0.09 0.00 0.10 0.00 0.00 34.13 32.32 1i7u s GLU 46 CO 0.40 0.35 1.08 -1.25 0.02 0.00 0.00 175.26 175.86 1i7u s PRO 47 N -1.79 4.45 -0.02 0.39 0.04 -1.26 -1.50 135.00 135.31 1i7u s PRO 47 Ca 0.08 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1i7u s PRO 47 Cb -0.10 -2.94 0.05 0.00 0.04 0.00 0.00 34.50 31.55 1i7u s PRO 47 CO 0.04 0.07 0.86 0.54 0.04 0.00 0.00 177.00 178.55 1i7u n ARG 48 N 0.71 0.96 -3.78 4.56 5.12 0.38 -4.88 116.66 119.72 1i7u n ARG 48 Ca 0.01 -1.24 -0.13 0.00 -1.93 0.00 0.00 57.85 54.57 1i7u n ARG 48 Cb 0.47 -0.80 -0.11 0.00 -1.16 0.00 0.00 32.46 30.85 1i7u n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i7u s ALA 49 N -0.76 -0.66 0.32 7.54 0.00 -1.24 -4.65 121.76 122.31 1i7u s ALA 49 Ca 0.06 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1i7u s ALA 49 Cb 0.05 -0.37 0.58 0.00 0.00 0.00 0.00 23.12 23.38 1i7u s ALA 49 CO 0.01 -0.14 1.93 -1.35 0.00 0.00 0.00 175.76 176.20 1i7u h PRO 50 N 5.49 0.94 0.00 0.00 0.11 -1.95 -2.96 132.00 133.62 1i7u h PRO 50 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1i7u h PRO 50 Cb 1.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1i7u h PRO 50 CO 0.35 0.62 0.00 0.11 -0.21 0.00 0.00 178.00 178.87 1i7u h TRP 51 N 0.96 0.00 0.00 0.65 5.08 -1.97 -2.64 115.95 118.03 1i7u h TRP 51 Ca 0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.33 1i7u h TRP 51 Cb 0.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 1i7u h TRP 51 CO -0.00 0.00 -0.80 1.51 -1.28 0.00 0.00 178.44 177.87 1i7u n ILE 52 N -2.66 0.01 0.28 0.12 0.13 -1.12 -4.15 119.36 111.98 1i7u n ILE 52 Ca 0.00 -0.01 0.16 0.00 -1.10 0.00 0.00 62.75 61.80 1i7u n ILE 52 Cb 0.21 0.64 0.79 0.00 -0.84 0.00 0.00 39.64 40.44 1i7u n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i7u h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.54 -2.55 114.58 125.09 1i7u h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i7u h GLU 53 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1i7u h GLU 53 CO 0.00 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.11 1i7u n GLN 54 N -3.29 0.23 -1.87 2.33 6.02 -1.26 -4.82 117.38 114.72 1i7u n GLN 54 Ca -0.01 0.29 -0.40 0.00 -0.01 0.00 0.00 57.00 56.86 1i7u n GLN 54 Cb 0.25 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.69 1i7u n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1i7u s GLU 55 N -3.18 4.00 1.14 -1.09 0.41 -0.96 -4.99 118.70 114.04 1i7u s GLU 55 Ca 0.08 2.44 -0.19 0.00 -0.41 0.00 0.00 54.97 56.90 1i7u s GLU 55 Cb 0.11 -2.87 0.27 0.00 -1.78 0.00 0.00 34.13 29.86 1i7u s GLU 55 CO 0.52 -0.57 1.22 0.20 -0.49 0.00 0.00 175.26 176.13 1i7u s GLY 56 N -0.35 1.69 0.52 -1.39 0.00 -1.26 -4.83 107.32 101.70 1i7u s GLY 56 Ca 0.55 -1.18 0.21 0.00 0.00 0.00 0.00 44.72 44.30 1i7u s GLY 56 CO 0.59 -0.29 2.13 -0.56 0.00 0.00 0.00 173.10 174.97 1i7u h PRO 57 N -2.32 0.00 -0.61 2.90 0.13 -1.98 -1.93 132.00 128.19 1i7u h PRO 57 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1i7u h PRO 57 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1i7u h PRO 57 CO 0.30 0.06 0.31 1.49 -0.23 0.00 0.00 178.00 179.93 1i7u h GLU 58 N 0.00 0.86 0.25 0.86 4.57 -1.99 0.85 114.58 119.99 1i7u h GLU 58 Ca -0.00 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1i7u h GLU 58 Cb 0.12 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1i7u h GLU 58 CO 0.01 0.68 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.48 1i7u h TYR 59 N 0.83 -0.31 -0.58 0.92 3.20 -1.70 -1.05 116.97 118.27 1i7u h TYR 59 Ca 0.21 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1i7u h TYR 59 Cb 0.08 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1i7u h TYR 59 CO -0.00 -0.09 0.12 -1.49 -1.64 0.00 0.00 178.16 175.05 1i7u h TRP 60 N -0.49 0.95 -0.54 -3.82 4.06 -1.38 -0.16 115.95 114.58 1i7u h TRP 60 Ca -0.03 -0.10 -0.11 0.00 2.06 0.00 0.00 58.89 60.70 1i7u h TRP 60 Cb 0.36 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1i7u h TRP 60 CO -0.02 0.80 -0.11 -0.44 -3.56 0.00 0.00 178.44 175.11 1i7u h ASP 61 N 0.87 1.03 -0.42 -3.49 3.32 -0.81 -1.67 116.42 115.25 1i7u h ASP 61 Ca 0.18 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 1i7u h ASP 61 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1i7u h ASP 61 CO 0.00 1.14 -0.02 1.23 -1.72 0.00 0.00 179.24 179.87 1i7u h GLY 62 N 0.90 0.82 1.92 2.75 0.00 -0.82 -1.82 103.07 106.83 1i7u h GLY 62 Ca 0.14 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 1i7u h GLY 62 CO 0.05 0.57 -0.57 0.83 0.00 0.00 0.00 176.54 177.42 1i7u h GLU 63 N 0.59 0.08 -0.29 4.80 4.39 -1.00 -2.07 114.58 121.08 1i7u h GLU 63 Ca 0.12 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1i7u h GLU 63 Cb 0.52 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1i7u h GLU 63 CO 0.03 0.63 -0.05 1.15 -1.16 0.00 0.00 179.01 179.60 1i7u h THR 64 N 0.06 1.28 -0.23 1.13 2.02 -1.23 0.52 112.91 116.46 1i7u h THR 64 Ca -0.00 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1i7u h THR 64 Cb 1.02 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1i7u h THR 64 CO 0.08 0.34 0.14 -0.09 0.37 0.00 0.00 175.52 176.36 1i7u h ARG 65 N 0.32 0.32 -0.48 6.66 2.43 -1.21 -1.87 114.38 120.54 1i7u h ARG 65 Ca 0.08 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1i7u h ARG 65 Cb 0.53 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1i7u h ARG 65 CO 0.03 0.27 -0.04 0.87 -1.51 0.00 0.00 179.97 179.58 1i7u h LYS 66 N 0.28 0.88 -0.21 0.20 1.57 -1.31 -2.82 116.57 115.17 1i7u h LYS 66 Ca 0.08 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1i7u h LYS 66 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1i7u h LYS 66 CO -0.02 0.94 -0.24 -0.24 -0.57 0.00 0.00 179.45 179.33 1i7u h VAL 67 N 0.74 1.25 0.00 0.50 3.04 -0.78 -1.39 116.25 119.62 1i7u h VAL 67 Ca 0.13 -1.20 -0.08 0.00 -1.01 0.00 0.00 66.70 64.54 1i7u h VAL 67 Cb 0.57 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1i7u h VAL 67 CO 0.03 0.38 -0.37 0.07 -1.01 0.00 0.00 177.57 176.66 1i7u h LYS 68 N 0.35 0.00 -0.28 4.17 2.10 -1.28 -0.92 116.57 120.71 1i7u h LYS 68 Ca 0.06 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.54 1i7u h LYS 68 Cb 0.62 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1i7u h LYS 68 CO 0.04 0.37 -0.49 0.00 -2.00 0.00 0.00 179.45 177.38 1i7u h ALA 69 N 1.63 0.60 -0.26 0.07 0.00 -1.09 -1.36 119.26 118.84 1i7u h ALA 69 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1i7u h ALA 69 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1i7u h ALA 69 CO 0.05 0.68 0.08 0.45 0.00 0.00 0.00 179.25 180.51 1i7u h HIS 70 N 0.61 0.42 0.11 0.00 3.86 -0.88 -2.38 115.15 116.89 1i7u h HIS 70 Ca 0.03 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1i7u h HIS 70 Cb 1.07 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 1i7u h HIS 70 CO 0.06 0.46 -0.21 1.03 0.86 0.00 0.00 177.93 180.13 1i7u h SER 71 N 0.26 -0.59 -1.01 2.45 0.87 -1.04 -0.05 113.55 114.45 1i7u h SER 71 Ca 0.09 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1i7u h SER 71 Cb 0.24 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 1i7u h SER 71 CO -0.00 -0.30 0.65 1.56 -0.53 0.00 0.00 176.83 178.21 1i7u h GLN 72 N -0.40 1.14 -0.22 2.24 1.08 -1.23 -0.25 115.11 117.48 1i7u h GLN 72 Ca 0.03 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 1i7u h GLN 72 Cb 0.42 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1i7u h GLN 72 CO -0.12 0.76 -0.33 1.15 -0.95 0.00 0.00 178.83 179.33 1i7u h THR 73 N 1.18 1.32 0.00 -0.54 2.02 -1.05 -2.48 112.91 113.36 1i7u h THR 73 Ca 0.44 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1i7u h THR 73 Cb 0.18 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1i7u h THR 73 CO -0.18 0.48 0.00 1.41 0.37 0.00 0.00 175.52 177.60 1i7u n HIS 74 N -4.29 0.80 -0.00 3.16 8.25 -0.06 -0.57 115.22 122.51 1i7u n HIS 74 Ca -0.05 0.27 -0.17 0.00 -0.26 0.00 0.00 57.72 57.50 1i7u n HIS 74 Cb 0.50 -0.94 -0.11 0.00 1.12 0.00 0.00 29.99 30.56 1i7u n HIS 74 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1i7u h ARG 75 N 0.00 0.42 -0.18 -0.41 2.43 -0.93 -3.21 114.38 112.51 1i7u h ARG 75 Ca 0.00 -0.44 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1i7u h ARG 75 Cb 0.55 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1i7u h ARG 75 CO 0.00 1.10 -0.37 0.28 -1.51 0.00 0.00 179.97 179.46 1i7u h VAL 76 N -0.08 1.30 -0.65 0.20 2.07 -0.95 -3.06 116.25 115.07 1i7u h VAL 76 Ca -0.07 -1.48 0.12 0.00 0.82 0.00 0.00 66.70 66.09 1i7u h VAL 76 Cb 1.29 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1i7u h VAL 76 CO 0.12 0.46 0.44 0.44 0.02 0.00 0.00 177.57 179.04 1i7u h ASP 77 N 0.33 0.35 -0.70 0.57 3.32 -0.83 -0.31 116.42 119.16 1i7u h ASP 77 Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1i7u h ASP 77 Cb 0.81 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1i7u h ASP 77 CO 0.07 0.20 0.39 -0.07 -1.72 0.00 0.00 179.24 178.11 1i7u h LEU 78 N 0.38 0.86 -0.60 1.55 3.38 -1.56 -1.63 115.31 117.69 1i7u h LEU 78 Ca 0.31 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1i7u h LEU 78 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1i7u h LEU 78 CO -0.09 0.70 0.07 1.23 0.09 0.00 0.00 178.44 180.44 1i7u h GLY 79 N 0.96 1.10 0.98 0.83 0.00 -1.20 -2.16 103.07 103.57 1i7u h GLY 79 Ca 0.25 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1i7u h GLY 79 CO -0.04 0.70 0.26 -0.84 0.00 0.00 0.00 176.54 176.62 1i7u h THR 80 N 0.92 1.17 -0.13 4.70 2.02 -1.03 -2.61 112.91 117.96 1i7u h THR 80 Ca 0.18 -0.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1i7u h THR 80 Cb 0.46 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1i7u h THR 80 CO 0.02 0.19 -0.53 -0.07 0.37 0.00 0.00 175.52 175.49 1i7u h LEU 81 N 0.65 0.40 -1.21 2.58 4.07 -1.25 -1.29 115.31 119.26 1i7u h LEU 81 Ca 0.17 -0.21 0.04 0.00 0.08 0.00 0.00 57.88 57.97 1i7u h LEU 81 Cb 0.07 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 1i7u h LEU 81 CO -0.03 0.86 0.55 -0.09 -1.08 0.00 0.00 178.44 178.65 1i7u h ARG 82 N 0.28 0.98 -0.08 1.13 2.43 -1.20 -0.78 114.38 117.14 1i7u h ARG 82 Ca 0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1i7u h ARG 82 Cb 1.03 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1i7u h ARG 82 CO 0.09 0.65 -0.07 0.78 -1.51 0.00 0.00 179.97 179.91 1i7u h GLY 83 N 1.01 0.21 0.39 2.80 0.00 -1.10 -0.01 103.07 106.37 1i7u h GLY 83 Ca 0.34 -0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.60 1i7u h GLY 83 CO -0.11 0.19 0.63 -0.97 0.00 0.00 0.00 176.54 176.28 1i7u h TYR 84 N -0.21 1.13 -0.21 5.60 0.05 -0.53 -1.19 116.97 121.60 1i7u h TYR 84 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1i7u h TYR 84 Cb 0.57 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1i7u h TYR 84 CO 0.08 0.40 0.00 0.66 -1.05 0.00 0.00 178.16 178.25 1i7u n TYR 85 N -4.65 0.26 -3.78 4.88 4.01 -0.36 -4.90 117.16 112.62 1i7u n TYR 85 Ca 0.20 -0.13 -0.29 0.00 -0.16 0.00 0.00 57.90 57.52 1i7u n TYR 85 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1i7u n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1i7u n ASN 86 N 1.17 -3.36 -4.90 7.72 5.15 -0.17 -4.99 115.26 115.89 1i7u n ASN 86 Ca 0.17 -1.00 -0.23 0.00 -0.60 0.00 0.00 54.58 52.92 1i7u n ASN 86 Cb 0.54 -3.30 -0.03 0.00 -0.53 0.00 0.00 39.78 36.47 1i7u n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i7u s GLN 87 N -6.19 3.22 0.69 1.20 -0.21 -0.32 -5.04 119.66 113.01 1i7u s GLN 87 Ca 0.29 -0.84 -0.13 0.00 0.02 0.00 0.00 55.36 54.70 1i7u s GLN 87 Cb -0.10 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.14 1i7u s GLN 87 CO 0.87 0.44 1.08 -1.54 -2.12 0.00 0.00 175.29 174.02 1i7u s SER 88 N -3.74 5.13 0.00 5.90 1.04 -1.26 -4.82 113.70 115.95 1i7u s SER 88 Ca 0.33 1.84 0.31 0.00 0.48 0.00 0.00 55.95 58.91 1i7u s SER 88 Cb -0.09 -2.53 1.70 0.00 0.10 0.00 0.00 66.02 65.20 1i7u s SER 88 CO 0.27 -1.61 2.12 -0.62 0.98 0.00 0.00 173.24 174.38 1i7u n GLU 89 N -2.80 0.84 0.06 4.02 1.02 -1.26 -3.83 120.64 118.69 1i7u n GLU 89 Ca 0.09 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1i7u n GLU 89 Cb 0.53 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1i7u n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i7u h ALA 90 N 3.82 0.33 -2.27 0.62 0.00 -1.98 -3.44 119.26 116.34 1i7u h ALA 90 Ca 0.00 -1.07 -0.49 0.00 0.00 0.00 0.00 54.91 53.36 1i7u h ALA 90 Cb 0.14 0.15 0.04 0.00 0.00 0.00 0.00 17.79 18.12 1i7u h ALA 90 CO 0.00 1.20 0.39 0.20 0.00 0.00 0.00 179.25 181.04 1i7u s GLY 91 N -4.86 1.94 -0.08 0.00 0.00 -1.25 -4.64 107.32 98.43 1i7u s GLY 91 Ca -0.05 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.67 1i7u s GLY 91 CO 0.85 0.43 0.37 -0.45 0.00 0.00 0.00 173.10 174.29 1i7u s SER 92 N -3.35 6.64 0.22 1.64 0.15 -1.26 -4.68 113.70 113.06 1i7u s SER 92 Ca 0.59 0.75 0.04 0.00 0.70 0.00 0.00 55.95 58.03 1i7u s SER 92 Cb -0.12 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1i7u s SER 92 CO 0.40 0.19 -0.03 -1.00 1.20 0.00 0.00 173.24 174.00 1i7u s HIS 93 N -0.23 1.57 -0.08 3.44 3.76 -1.26 -4.95 115.29 117.55 1i7u s HIS 93 Ca 0.21 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1i7u s HIS 93 Cb -0.15 -0.89 0.01 0.00 1.11 0.00 0.00 32.58 32.67 1i7u s HIS 93 CO 0.09 0.03 -0.14 0.99 -0.85 0.00 0.00 174.74 174.86 1i7u s THR 94 N -3.34 1.31 -0.12 1.30 2.01 -1.26 -1.69 115.64 113.85 1i7u s THR 94 Ca 0.27 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1i7u s THR 94 Cb 0.05 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1i7u s THR 94 CO 0.08 0.40 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.56 1i7u s VAL 95 N 0.68 2.85 0.04 3.82 1.01 -0.21 -0.29 120.40 128.31 1i7u s VAL 95 Ca -0.14 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1i7u s VAL 95 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1i7u s VAL 95 CO 0.04 0.54 -0.21 -1.10 0.00 0.00 0.00 175.10 174.36 1i7u s GLN 96 N 0.28 1.38 -0.03 2.72 -0.21 -0.41 -0.86 119.66 122.53 1i7u s GLN 96 Ca -0.11 -0.95 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 1i7u s GLN 96 Cb -0.16 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.36 1i7u s GLN 96 CO 0.06 0.38 0.11 0.50 -2.12 0.00 0.00 175.29 174.22 1i7u s ARG 97 N -1.20 0.22 -0.07 2.91 3.52 -0.42 -1.31 118.95 122.61 1i7u s ARG 97 Ca 0.07 0.00 -0.06 0.00 -0.13 0.00 0.00 55.73 55.62 1i7u s ARG 97 Cb -0.09 0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.42 1i7u s ARG 97 CO 0.02 -0.04 0.18 1.41 -0.81 0.00 0.00 175.30 176.06 1i7u s MET 98 N -0.33 0.19 0.04 5.12 1.75 -0.55 -0.57 119.30 124.95 1i7u s MET 98 Ca -0.04 0.27 -0.17 0.00 -1.25 0.00 0.00 55.69 54.51 1i7u s MET 98 Cb -0.03 0.06 0.03 0.00 2.84 0.00 0.00 34.83 37.73 1i7u s MET 98 CO 0.00 -0.04 0.37 1.52 -0.65 0.00 0.00 175.02 176.22 1i7u s TYR 99 N 0.26 -0.21 -3.02 4.11 -0.85 -0.99 -1.19 117.35 115.46 1i7u s TYR 99 Ca -0.01 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 1i7u s TYR 99 Cb -0.03 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.49 1i7u s TYR 99 CO -0.01 -0.54 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 1i7u n GLY 100 N 0.57 -1.52 3.10 5.49 0.00 -0.64 -1.29 105.19 110.90 1i7u n GLY 100 Ca -0.19 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 1i7u n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7u s ASP 102 N -2.32 3.92 0.02 0.00 1.01 0.24 -1.75 116.67 117.79 1i7u s ASP 102 Ca -0.00 -0.34 0.04 0.00 0.71 0.00 0.00 52.55 52.96 1i7u s ASP 102 Cb -0.01 -0.71 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 1i7u s ASP 102 CO -0.03 0.28 -0.13 0.54 0.21 0.00 0.00 175.17 176.04 1i7u s VAL 103 N -0.87 1.01 0.14 -1.27 0.11 0.28 -0.62 120.40 119.18 1i7u s VAL 103 Ca 0.14 -0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1i7u s VAL 103 Cb -0.11 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1i7u s VAL 103 CO 0.04 0.10 0.19 0.61 -3.33 0.00 0.00 175.10 172.71 1i7u n GLY 104 N 2.27 -1.13 0.31 6.54 0.00 -0.57 -1.21 105.19 111.39 1i7u n GLY 104 Ca -0.16 -1.68 0.19 0.00 0.00 0.00 0.00 46.02 44.36 1i7u n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i7u h SER 105 N -0.25 0.00 -0.29 1.61 4.64 -1.92 0.13 113.55 117.47 1i7u h SER 105 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1i7u h SER 105 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1i7u h SER 105 CO 0.04 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.13 1i7u n ASP 106 N -3.29 1.91 -2.36 4.97 5.75 -1.26 -4.65 116.55 117.62 1i7u n ASP 106 Ca -0.02 -1.88 -0.21 0.00 -0.01 0.00 0.00 54.79 52.67 1i7u n ASP 106 Cb 0.16 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1i7u n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1i7u n TRP 107 N 0.51 -0.95 -4.14 2.11 7.02 0.46 -4.99 117.44 117.46 1i7u n TRP 107 Ca 0.14 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.28 1i7u n TRP 107 Cb 0.33 -3.97 -0.07 0.00 -2.42 0.00 0.00 31.31 25.17 1i7u n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i7u s ARG 108 N -4.98 3.10 0.08 -0.99 0.52 -1.26 -4.77 118.95 110.65 1i7u s ARG 108 Ca 0.00 -0.41 -0.36 0.00 -0.52 0.00 0.00 55.73 54.43 1i7u s ARG 108 Cb 0.00 -2.89 -0.18 0.00 0.52 0.00 0.00 34.95 32.40 1i7u s ARG 108 CO 0.00 0.68 1.17 0.34 0.02 0.00 0.00 175.30 177.52 1i7u n PHE 109 N 1.55 1.08 -0.00 -0.53 7.35 -1.26 -1.51 117.46 124.13 1i7u n PHE 109 Ca -0.15 0.80 -0.01 0.00 -0.76 0.00 0.00 57.45 57.33 1i7u n PHE 109 Cb 0.53 -2.22 -0.00 0.00 0.35 0.00 0.00 39.48 38.14 1i7u n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i7u n LEU 110 N 2.07 0.83 -3.53 -2.13 0.00 0.21 -4.79 117.00 109.65 1i7u n LEU 110 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.08 1i7u n LEU 110 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 43.42 43.54 1i7u n LEU 110 CO 0.61 0.15 0.28 -0.13 0.00 0.00 0.00 177.39 178.30 1i7u s ARG 111 N -2.01 1.15 0.06 1.96 0.52 -1.17 -4.99 118.95 114.46 1i7u s ARG 111 Ca -0.01 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1i7u s ARG 111 Cb 0.00 0.52 -0.03 0.00 0.52 0.00 0.00 34.95 35.96 1i7u s ARG 111 CO 0.01 -0.47 -0.08 0.20 0.02 0.00 0.00 175.30 174.98 1i7u s GLY 112 N -2.63 0.64 0.03 -3.53 0.00 -1.26 -0.59 107.32 99.97 1i7u s GLY 112 Ca 0.01 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1i7u s GLY 112 CO -0.10 -1.02 -0.05 -0.19 0.00 0.00 0.00 173.10 171.73 1i7u s TYR 113 N -1.96 0.45 -0.30 1.90 1.51 -0.25 -4.91 117.35 113.79 1i7u s TYR 113 Ca -0.03 -0.53 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1i7u s TYR 113 Cb -0.06 -0.29 0.19 0.00 -0.11 0.00 0.00 41.96 41.69 1i7u s TYR 113 CO -0.01 -0.15 0.77 -1.58 -1.11 0.00 0.00 175.55 173.47 1i7u s HIS 114 N -1.49 -1.33 0.08 2.71 2.46 -1.25 -1.63 115.29 114.85 1i7u s HIS 114 Ca -0.13 0.75 -0.05 0.00 0.47 0.00 0.00 55.06 56.11 1i7u s HIS 114 Cb -0.10 0.23 -0.02 0.00 -0.13 0.00 0.00 32.58 32.56 1i7u s HIS 114 CO -0.01 -0.78 0.09 1.14 -2.47 0.00 0.00 174.74 172.71 1i7u s GLN 115 N 2.84 0.78 0.16 2.88 -2.07 -0.33 -1.47 119.66 122.44 1i7u s GLN 115 Ca 0.17 -1.14 0.05 0.00 -1.82 0.00 0.00 55.36 52.61 1i7u s GLN 115 Cb -0.07 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 1i7u s GLN 115 CO -0.24 -0.21 -0.10 0.71 -1.32 0.00 0.00 175.29 174.13 1i7u s TYR 116 N -3.92 1.32 -0.02 9.60 1.51 0.42 -1.49 117.35 124.77 1i7u s TYR 116 Ca 0.09 -0.76 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 1i7u s TYR 116 Cb 0.06 -0.67 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1i7u s TYR 116 CO -0.08 0.09 0.06 0.00 -1.11 0.00 0.00 175.55 174.51 1i7u s ALA 117 N -3.31 -0.15 -0.16 3.71 0.00 -0.42 -1.04 121.76 120.38 1i7u s ALA 117 Ca 0.18 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1i7u s ALA 117 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1i7u s ALA 117 CO 0.02 -0.04 -0.17 -0.47 0.00 0.00 0.00 175.76 175.09 1i7u s TYR 118 N -0.09 2.76 -1.53 0.00 5.04 0.06 -1.29 117.35 122.30 1i7u s TYR 118 Ca -0.01 -1.21 -0.09 0.00 -2.44 0.00 0.00 57.07 53.32 1i7u s TYR 118 Cb -0.01 -1.89 0.07 0.00 0.35 0.00 0.00 41.96 40.48 1i7u s TYR 118 CO 0.00 -0.57 0.65 -0.25 -1.34 0.00 0.00 175.55 174.04 1i7u n ASP 119 N 4.19 -2.12 0.00 4.32 8.00 0.60 -1.45 116.55 130.09 1i7u n ASP 119 Ca -0.20 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1i7u n ASP 119 Cb 0.51 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 1i7u n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7u n GLY 120 N -1.71 1.43 3.65 0.44 0.00 -1.26 -5.02 105.19 102.72 1i7u n GLY 120 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1i7u n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7u s LYS 121 N -0.03 3.06 0.20 1.61 1.02 -0.53 -5.06 119.74 120.02 1i7u s LYS 121 Ca 0.00 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.23 1i7u s LYS 121 Cb 0.00 -2.79 -0.15 0.00 -0.52 0.00 0.00 37.83 34.37 1i7u s LYS 121 CO 0.00 0.63 1.29 -0.25 -0.92 0.00 0.00 175.35 176.10 1i7u n ASP 122 N 2.35 2.03 0.00 2.83 8.00 -1.26 -0.76 116.55 129.75 1i7u n ASP 122 Ca -0.18 1.14 -0.03 0.00 0.71 0.00 0.00 54.79 56.43 1i7u n ASP 122 Cb 0.53 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.31 1i7u n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7u n TYR 123 N 1.77 0.00 -3.77 1.24 9.36 -0.20 -4.75 117.16 120.81 1i7u n TYR 123 Ca 0.14 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 1i7u n TYR 123 Cb 0.28 -0.15 -0.09 0.00 -0.63 0.00 0.00 39.34 38.75 1i7u n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i7u s ILE 124 N -2.17 0.05 -0.13 2.97 2.07 -1.20 -3.99 121.20 118.80 1i7u s ILE 124 Ca -0.09 -0.39 -0.17 0.00 -1.41 0.00 0.00 60.65 58.60 1i7u s ILE 124 Cb 0.01 -0.57 0.04 0.00 0.13 0.00 0.00 42.46 42.07 1i7u s ILE 124 CO 0.13 -0.22 0.44 0.00 -1.91 0.00 0.00 174.94 173.39 1i7u s ALA 125 N -1.03 -1.10 0.14 1.50 0.00 -0.88 -0.44 121.76 119.94 1i7u s ALA 125 Ca -0.11 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1i7u s ALA 125 Cb -0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 1i7u s ALA 125 CO 0.03 -0.23 1.15 -1.17 0.00 0.00 0.00 175.76 175.54 1i7u s LEU 126 N -0.15 4.44 0.83 0.00 2.96 -0.54 -0.90 118.68 125.31 1i7u s LEU 126 Ca -0.03 2.09 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 1i7u s LEU 126 Cb -0.03 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.15 1i7u s LEU 126 CO 0.02 -0.34 1.17 -0.54 -1.32 0.00 0.00 176.35 175.33 1i7u s LYS 127 N 0.17 1.83 0.55 1.98 1.02 -0.15 -4.73 119.74 120.41 1i7u s LYS 127 Ca 0.53 0.17 0.21 0.00 0.02 0.00 0.00 55.97 56.91 1i7u s LYS 127 Cb -0.30 -1.93 1.47 0.00 -0.52 0.00 0.00 37.83 36.55 1i7u s LYS 127 CO 0.33 -1.70 2.17 1.49 -0.92 0.00 0.00 175.35 176.72 1i7u h GLU 128 N -1.14 0.00 0.00 1.68 4.81 -1.91 -1.27 114.58 116.75 1i7u h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1i7u h GLU 128 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1i7u h GLU 128 CO 0.65 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1i7u n ASP 129 N -4.28 0.00 -1.72 1.04 5.68 -1.26 -4.86 116.55 111.14 1i7u n ASP 129 Ca -0.02 -0.32 -0.19 0.00 -0.50 0.00 0.00 54.79 53.77 1i7u n ASP 129 Cb 0.13 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 39.88 1i7u n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i7u n LEU 130 N -1.17 -1.43 0.00 -2.12 4.77 -0.48 -4.76 117.00 111.81 1i7u n LEU 130 Ca 0.13 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1i7u n LEU 130 Cb 0.13 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1i7u n LEU 130 CO 0.15 -0.81 -0.04 0.54 -1.33 0.00 0.00 177.39 175.91 1i7u n ARG 131 N -2.38 3.01 -4.32 3.23 1.74 -1.26 -4.72 116.66 111.96 1i7u n ARG 131 Ca -0.19 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.72 1i7u n ARG 131 Cb 0.62 -0.30 -0.10 0.00 -1.02 0.00 0.00 32.46 31.66 1i7u n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i7u s SER 132 N -0.49 1.85 0.09 0.55 1.04 -1.26 -4.97 113.70 110.51 1i7u s SER 132 Ca 0.00 -1.18 0.09 0.00 0.48 0.00 0.00 55.95 55.34 1i7u s SER 132 Cb 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1i7u s SER 132 CO 0.00 -0.48 -0.23 0.26 0.98 0.00 0.00 173.24 173.77 1i7u s TRP 133 N -3.39 2.41 -0.23 5.02 0.52 -1.26 -0.98 118.94 121.03 1i7u s TRP 133 Ca 0.27 -0.34 -0.06 0.00 0.02 0.00 0.00 56.10 55.99 1i7u s TRP 133 Cb 0.05 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1i7u s TRP 133 CO 0.07 0.28 0.03 0.99 0.02 0.00 0.00 176.95 178.35 1i7u s THR 134 N -0.99 4.10 -0.09 2.01 2.01 -0.08 -4.92 115.64 117.69 1i7u s THR 134 Ca 0.14 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 1i7u s THR 134 Cb -0.10 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.54 1i7u s THR 134 CO 0.06 0.38 -0.06 0.00 -0.69 0.00 0.00 174.62 174.31 1i7u s ALA 135 N 1.35 1.11 -0.01 7.40 0.00 -1.26 -2.08 121.76 128.27 1i7u s ALA 135 Ca 0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1i7u s ALA 135 Cb -0.15 -0.79 -0.33 0.00 0.00 0.00 0.00 23.12 21.85 1i7u s ALA 135 CO 0.02 -0.32 0.91 0.00 0.00 0.00 0.00 175.76 176.36 1i7u h ALA 136 N 7.97 -0.09 -0.55 0.00 0.00 -1.89 -3.45 119.26 121.25 1i7u h ALA 136 Ca -0.28 -0.83 -0.63 0.00 0.00 0.00 0.00 54.91 53.16 1i7u h ALA 136 Cb 1.14 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1i7u h ALA 136 CO 0.39 0.60 -0.42 0.16 0.00 0.00 0.00 179.25 179.98 1i7u s ASP 137 N -7.30 4.36 0.21 0.00 1.47 -1.26 -5.02 116.67 109.13 1i7u s ASP 137 Ca -0.12 -1.44 -0.09 0.00 1.18 0.00 0.00 52.55 52.08 1i7u s ASP 137 Cb 0.03 0.39 0.26 0.00 -0.34 0.00 0.00 42.92 43.26 1i7u s ASP 137 CO 0.89 -0.93 1.78 0.24 0.68 0.00 0.00 175.17 177.82 1i7u h MET 138 N 1.11 0.53 0.03 2.11 2.86 -2.00 -1.58 114.93 117.98 1i7u h MET 138 Ca -0.41 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1i7u h MET 138 Cb 1.30 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 1i7u h MET 138 CO 0.67 0.35 -0.02 0.00 1.06 0.00 0.00 176.91 178.96 1i7u h ALA 139 N 1.38 -0.04 -0.97 6.32 0.00 -1.96 -2.47 119.26 121.51 1i7u h ALA 139 Ca 0.30 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1i7u h ALA 139 Cb 0.29 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1i7u h ALA 139 CO -0.24 -0.53 0.61 0.00 0.00 0.00 0.00 179.25 179.09 1i7u h ALA 140 N 0.92 1.43 -0.06 0.00 0.00 -1.73 -0.62 119.26 119.20 1i7u h ALA 140 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1i7u h ALA 140 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1i7u h ALA 140 CO -0.01 0.26 -0.09 1.96 0.00 0.00 0.00 179.25 181.38 1i7u h GLN 141 N 1.01 0.08 -0.53 0.00 4.20 -0.86 0.06 115.11 119.07 1i7u h GLN 141 Ca 0.46 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.10 1i7u h GLN 141 Cb 0.38 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1i7u h GLN 141 CO -0.24 0.18 0.08 1.15 -0.67 0.00 0.00 178.83 179.33 1i7u h THR 142 N 0.08 1.25 -0.47 -0.54 2.02 -0.75 0.09 112.91 114.60 1i7u h THR 142 Ca 0.02 -0.97 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 1i7u h THR 142 Cb 0.21 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1i7u h THR 142 CO 0.01 0.35 -0.12 0.74 0.37 0.00 0.00 175.52 176.87 1i7u h THR 143 N 0.77 1.27 -0.34 3.16 2.02 -1.16 -2.49 112.91 116.14 1i7u h THR 143 Ca 0.16 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.13 1i7u h THR 143 Cb 0.42 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1i7u h THR 143 CO 0.01 0.43 0.15 0.50 0.37 0.00 0.00 175.52 176.98 1i7u h LYS 144 N 0.76 0.30 -0.79 6.66 3.64 -0.60 -1.14 116.57 125.39 1i7u h LYS 144 Ca 0.12 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1i7u h LYS 144 Cb 0.67 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1i7u h LYS 144 CO 0.05 0.20 0.51 0.45 -2.27 0.00 0.00 179.45 178.39 1i7u h HIS 145 N 0.31 0.96 -0.61 1.91 3.86 -0.87 0.65 115.15 121.36 1i7u h HIS 145 Ca 0.15 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1i7u h HIS 145 Cb 0.09 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1i7u h HIS 145 CO -0.12 0.57 0.38 0.87 0.86 0.00 0.00 177.93 180.49 1i7u h LYS 146 N 1.01 0.83 -0.00 2.45 1.57 -0.93 -1.84 116.57 119.67 1i7u h LYS 146 Ca 0.31 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1i7u h LYS 146 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1i7u h LYS 146 CO -0.10 0.58 -0.48 -1.49 -0.57 0.00 0.00 179.45 177.39 1i7u h TRP 147 N 0.83 0.00 -0.26 -1.35 4.06 -0.54 -1.70 115.95 116.99 1i7u h TRP 147 Ca 0.22 -0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.01 1i7u h TRP 147 Cb -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1i7u h TRP 147 CO -0.02 0.48 -0.47 0.93 -3.56 0.00 0.00 178.44 175.80 1i7u h GLU 148 N 0.00 0.78 -0.03 0.49 5.08 -0.51 -1.35 114.58 119.03 1i7u h GLU 148 Ca -0.00 -0.49 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 1i7u h GLU 148 Cb 0.85 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1i7u h GLU 148 CO 0.06 1.12 -0.39 0.00 -1.00 0.00 0.00 179.01 178.80 1i7u h ALA 149 N 0.65 1.29 -0.19 3.43 0.00 -1.19 -2.66 119.26 120.59 1i7u h ALA 149 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i7u h ALA 149 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1i7u h ALA 149 CO 0.11 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1i7u n ALA 150 N -2.47 2.50 -3.82 0.00 0.00 -0.65 -4.95 120.51 111.11 1i7u n ALA 150 Ca -0.02 -0.63 -0.25 0.00 0.00 0.00 0.00 53.44 52.54 1i7u n ALA 150 Cb 0.43 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.87 1i7u n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i7u n HIS 151 N 0.64 -1.92 -0.10 0.00 -0.00 -0.75 -4.89 115.22 108.20 1i7u n HIS 151 Ca 0.17 0.83 -0.13 0.00 -0.00 0.00 0.00 57.72 58.60 1i7u n HIS 151 Cb 0.41 -4.11 -0.04 0.00 -0.00 0.00 0.00 29.99 26.26 1i7u n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i7u h VAL 152 N -1.89 1.30 -0.99 1.59 2.07 -1.55 -3.19 116.25 113.59 1i7u h VAL 152 Ca -0.61 -1.34 0.12 0.00 0.82 0.00 0.00 66.70 65.69 1i7u h VAL 152 Cb 1.37 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 1i7u h VAL 152 CO 0.61 0.43 0.62 0.00 0.02 0.00 0.00 177.57 179.24 1i7u h ALA 153 N 0.73 1.48 -0.32 1.67 0.00 -1.91 -0.20 119.26 120.72 1i7u h ALA 153 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1i7u h ALA 153 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1i7u h ALA 153 CO 0.05 0.22 0.07 0.93 0.00 0.00 0.00 179.25 180.53 1i7u h GLU 154 N 0.98 0.52 -0.57 0.00 3.07 -1.84 0.97 114.58 117.71 1i7u h GLU 154 Ca 0.49 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1i7u h GLU 154 Cb 0.48 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1i7u h GLU 154 CO -0.26 0.59 0.17 1.96 -1.40 0.00 0.00 179.01 180.06 1i7u h GLN 155 N 0.37 0.89 -0.77 2.33 4.20 -1.43 -2.79 115.11 117.91 1i7u h GLN 155 Ca 0.10 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1i7u h GLN 155 Cb 0.30 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1i7u h GLN 155 CO 0.00 0.81 0.39 1.25 -0.67 0.00 0.00 178.83 180.62 1i7u h LEU 156 N 0.81 0.99 -1.11 1.46 5.85 -0.87 -2.75 115.31 119.68 1i7u h LEU 156 Ca 0.18 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1i7u h LEU 156 Cb 0.30 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1i7u h LEU 156 CO -0.00 0.83 0.52 -0.09 -0.34 0.00 0.00 178.44 179.36 1i7u h ARG 157 N 1.08 1.12 -0.30 1.25 2.43 -0.56 -0.41 114.38 119.00 1i7u h ARG 157 Ca 0.27 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1i7u h ARG 157 Cb 0.08 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1i7u h ARG 157 CO -0.04 0.77 -0.05 0.00 -1.51 0.00 0.00 179.97 179.14 1i7u h ALA 158 N 1.43 1.36 -0.01 2.80 0.00 -1.24 -1.67 119.26 121.94 1i7u h ALA 158 Ca 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1i7u h ALA 158 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1i7u h ALA 158 CO -0.06 0.44 -0.03 -0.92 0.00 0.00 0.00 179.25 178.68 1i7u h TYR 159 N 0.45 0.05 -0.87 0.00 3.20 -1.11 -2.06 116.97 116.62 1i7u h TYR 159 Ca 0.09 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1i7u h TYR 159 Cb 0.37 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1i7u h TYR 159 CO 0.01 0.66 0.46 -0.07 -1.64 0.00 0.00 178.16 177.58 1i7u h LEU 160 N -0.58 1.10 0.00 2.82 3.38 -0.98 0.35 115.31 121.41 1i7u h LEU 160 Ca -0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1i7u h LEU 160 Cb 0.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1i7u h LEU 160 CO 0.01 0.90 -1.09 -0.33 0.09 0.00 0.00 178.44 178.01 1i7u h GLU 161 N 1.23 0.00 0.00 1.13 5.08 -1.42 -3.36 114.58 117.23 1i7u h GLU 161 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1i7u h GLU 161 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1i7u h GLU 161 CO -0.05 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 1i7u n GLY 162 N 1.29 0.09 0.35 -3.84 0.00 -0.78 -4.62 105.19 97.67 1i7u n GLY 162 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1i7u n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i7u h THR 163 N 0.00 0.11 -0.29 2.61 2.02 -1.53 -0.42 112.91 115.40 1i7u h THR 163 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1i7u h THR 163 Cb 0.00 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.48 1i7u h THR 163 CO 0.00 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.94 1i7u h VAL 165 N 0.15 1.27 -0.34 0.00 2.07 -1.52 -2.02 116.25 115.87 1i7u h VAL 165 Ca 0.14 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1i7u h VAL 165 Cb 0.15 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1i7u h VAL 165 CO -0.19 0.47 0.22 -0.33 0.02 0.00 0.00 177.57 177.76 1i7u h GLU 166 N 0.70 0.45 -0.33 1.57 5.08 -0.75 -0.88 114.58 120.42 1i7u h GLU 166 Ca 0.08 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1i7u h GLU 166 Cb 0.81 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1i7u h GLU 166 CO 0.07 0.31 -0.38 -1.49 -1.00 0.00 0.00 179.01 176.52 1i7u h TRP 167 N 0.45 0.95 -0.42 4.33 4.06 -1.23 -2.16 115.95 121.94 1i7u h TRP 167 Ca 0.12 -0.28 0.03 0.00 2.06 0.00 0.00 58.89 60.83 1i7u h TRP 167 Cb -0.03 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 27.89 1i7u h TRP 167 CO -0.05 1.05 0.22 1.25 -3.56 0.00 0.00 178.44 177.35 1i7u h LEU 168 N 0.65 0.32 -0.74 -4.49 5.85 -1.11 0.72 115.31 116.51 1i7u h LEU 168 Ca 0.06 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1i7u h LEU 168 Cb 0.94 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1i7u h LEU 168 CO 0.09 0.23 0.46 0.03 -0.34 0.00 0.00 178.44 178.91 1i7u h ARG 169 N 0.44 1.00 -0.33 1.25 3.08 -1.04 -0.48 114.38 118.29 1i7u h ARG 169 Ca 0.18 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1i7u h ARG 169 Cb 0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1i7u h ARG 169 CO -0.11 0.69 0.20 -0.09 -1.07 0.00 0.00 179.97 179.58 1i7u h ARG 170 N 1.01 0.45 -0.79 0.04 2.43 -0.70 -1.86 114.38 114.96 1i7u h ARG 170 Ca 0.27 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1i7u h ARG 170 Cb -0.06 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1i7u h ARG 170 CO -0.05 0.34 0.31 1.88 -1.51 0.00 0.00 179.97 180.94 1i7u h TYR 171 N 0.42 1.22 -0.90 2.20 0.05 -0.52 -0.11 116.97 119.33 1i7u h TYR 171 Ca 0.12 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1i7u h TYR 171 Cb 0.01 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.35 1i7u h TYR 171 CO -0.04 0.92 0.58 -0.07 -1.05 0.00 0.00 178.16 178.50 1i7u h LEU 172 N 1.16 1.04 0.25 3.88 3.38 -0.81 0.00 115.31 124.22 1i7u h LEU 172 Ca 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1i7u h LEU 172 Cb 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1i7u h LEU 172 CO -0.02 0.77 -0.12 -0.33 0.09 0.00 0.00 178.44 178.83 1i7u h GLU 173 N 1.22 -0.33 -0.35 1.13 5.08 -0.90 -2.08 114.58 118.35 1i7u h GLU 173 Ca 0.33 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1i7u h GLU 173 Cb -0.11 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1i7u h GLU 173 CO -0.07 0.01 0.24 -0.91 -1.00 0.00 0.00 179.01 177.28 1i7u h ASN 174 N -0.93 0.29 -0.54 1.42 2.35 -0.93 -2.39 115.58 114.85 1i7u h ASN 174 Ca -0.03 -0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.35 1i7u h ASN 174 Cb 0.49 -0.07 -0.24 0.00 0.05 0.00 0.00 38.32 38.56 1i7u h ASN 174 CO 0.06 0.20 -0.29 0.61 -1.65 0.00 0.00 177.43 176.35 1i7u n GLY 175 N -1.51 5.64 0.34 2.83 0.00 -0.02 -4.80 105.19 107.67 1i7u n GLY 175 Ca 0.03 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.23 1i7u n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i7u h LYS 176 N 1.58 0.42 -0.11 1.61 2.10 -0.82 0.57 116.57 121.92 1i7u h LYS 176 Ca 0.30 -0.03 0.03 0.00 -2.00 0.00 0.00 60.65 58.96 1i7u h LYS 176 Cb 1.42 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1i7u h LYS 176 CO 0.64 0.28 0.08 0.93 -2.00 0.00 0.00 179.45 179.38 1i7u h GLU 177 N 0.43 0.00 0.00 0.07 5.08 -1.87 -1.41 114.58 116.89 1i7u h GLU 177 Ca 0.25 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.42 1i7u h GLU 177 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1i7u h GLU 177 CO -0.07 0.00 -1.74 0.25 -1.00 0.00 0.00 179.01 176.46 1i7u n THR 178 N -4.40 0.74 0.08 1.13 -2.24 -0.80 -4.45 114.28 104.34 1i7u n THR 178 Ca -0.00 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.43 1i7u n THR 178 Cb 0.20 -1.00 0.04 0.00 -2.10 0.00 0.00 70.33 67.47 1i7u n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i7u h LEU 179 N -0.03 0.27 -3.23 3.22 3.38 -0.96 -3.21 115.31 114.74 1i7u h LEU 179 Ca -0.29 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1i7u h LEU 179 Cb 1.44 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1i7u h LEU 179 CO -0.06 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.42 1i7u n GLN 180 N -3.74 4.20 -3.91 1.13 6.02 -0.53 -4.94 117.38 115.60 1i7u n GLN 180 Ca -0.03 -2.89 -0.31 0.00 -0.01 0.00 0.00 57.00 53.76 1i7u n GLN 180 Cb 0.74 -2.06 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1i7u n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i7u s ARG 181 N -2.27 3.45 -0.20 -1.09 3.52 -1.22 -4.99 118.95 116.16 1i7u s ARG 181 Ca 0.51 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.68 1i7u s ARG 181 Cb 0.36 -3.03 0.04 0.00 -1.56 0.00 0.00 34.95 30.76 1i7u s ARG 181 CO 0.20 0.60 -0.13 0.99 -0.81 0.00 0.00 175.30 176.14 1i7u s THR 182 N -1.54 1.79 -0.38 4.11 2.01 -1.26 -4.62 115.64 115.74 1i7u s THR 182 Ca 0.35 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1i7u s THR 182 Cb -0.13 -1.78 0.05 0.00 0.01 0.00 0.00 72.50 70.64 1i7u s THR 182 CO 0.28 0.26 0.21 -1.81 -0.69 0.00 0.00 174.62 172.87 1i7u s ASP 183 N 1.35 5.63 0.47 3.53 1.01 -0.21 -4.92 116.67 123.54 1i7u s ASP 183 Ca -0.00 -1.18 -0.23 0.00 0.71 0.00 0.00 52.55 51.85 1i7u s ASP 183 Cb -0.16 -1.99 -0.07 0.00 1.01 0.00 0.00 42.92 41.72 1i7u s ASP 183 CO -0.09 -0.43 1.20 0.00 0.21 0.00 0.00 175.17 176.06 1i7u s ALA 184 N 1.49 2.95 0.44 5.23 0.00 -1.26 -1.48 121.76 129.13 1i7u s ALA 184 Ca 0.02 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1i7u s ALA 184 Cb -0.20 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1i7u s ALA 184 CO 0.05 -0.79 1.24 -1.25 0.00 0.00 0.00 175.76 175.01 1i7u s PRO 185 N -2.72 3.80 -0.23 0.00 0.04 -1.26 -4.58 135.00 130.05 1i7u s PRO 185 Ca 0.65 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 1i7u s PRO 185 Cb -0.31 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1i7u s PRO 185 CO 0.37 -0.58 0.25 0.15 0.04 0.00 0.00 177.00 177.24 1i7u s LYS 186 N -2.48 4.11 0.23 4.56 3.01 -0.06 -4.84 119.74 124.27 1i7u s LYS 186 Ca 0.61 -0.09 0.10 0.00 -1.01 0.00 0.00 55.97 55.59 1i7u s LYS 186 Cb -0.34 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 32.89 1i7u s LYS 186 CO 0.42 0.02 -0.12 0.95 0.51 0.00 0.00 175.35 177.13 1i7u s THR 187 N 1.16 2.92 0.02 2.17 -4.23 -1.26 -0.97 115.64 115.45 1i7u s THR 187 Ca 0.12 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.35 1i7u s THR 187 Cb -0.14 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.30 1i7u s THR 187 CO 0.06 -0.26 1.02 -1.38 -0.54 0.00 0.00 174.62 173.51 1i7u s HIS 188 N -2.09 -0.20 0.18 3.99 -3.43 -1.14 -5.01 115.29 107.60 1i7u s HIS 188 Ca 0.27 0.02 0.09 0.00 -0.80 0.00 0.00 55.06 54.64 1i7u s HIS 188 Cb -0.07 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 1i7u s HIS 188 CO 0.15 -0.55 -0.19 -1.64 -2.00 0.00 0.00 174.74 170.51 1i7u s MET 189 N -2.98 1.35 0.11 -0.38 -1.94 -1.26 -0.57 119.30 113.64 1i7u s MET 189 Ca 0.09 -1.47 0.07 0.00 -1.71 0.00 0.00 55.69 52.68 1i7u s MET 189 Cb -0.00 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 1i7u s MET 189 CO -0.04 0.29 -0.18 0.95 -0.01 0.00 0.00 175.02 176.04 1i7u s THR 190 N -2.08 1.55 -0.07 2.05 -4.23 -0.52 -4.97 115.64 107.37 1i7u s THR 190 Ca 0.18 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1i7u s THR 190 Cb -0.06 -1.52 0.02 0.00 1.34 0.00 0.00 72.50 72.28 1i7u s THR 190 CO 0.08 -0.21 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.59 1i7u s HIS 191 N -1.56 1.16 -0.04 3.99 2.46 -1.26 -1.67 115.29 118.38 1i7u s HIS 191 Ca 0.07 -0.44 -0.01 0.00 0.47 0.00 0.00 55.06 55.15 1i7u s HIS 191 Cb -0.08 -0.95 0.03 0.00 -0.13 0.00 0.00 32.58 31.45 1i7u s HIS 191 CO 0.04 -0.31 0.05 -1.58 -2.47 0.00 0.00 174.74 170.47 1i7u s HIS 192 N 1.12 0.11 -0.03 3.88 5.04 -0.59 -4.97 115.29 119.86 1i7u s HIS 192 Ca -0.07 0.18 -0.30 0.00 -1.54 0.00 0.00 55.06 53.33 1i7u s HIS 192 Cb -0.14 -0.45 -0.04 0.00 0.04 0.00 0.00 32.58 31.99 1i7u s HIS 192 CO -0.01 -0.18 1.29 0.00 -2.34 0.00 0.00 174.74 173.50 1i7u s ALA 193 N 1.86 3.53 -0.44 1.58 0.00 -1.26 -0.10 121.76 126.93 1i7u s ALA 193 Ca 0.01 0.74 0.22 0.00 0.00 0.00 0.00 51.96 52.94 1i7u s ALA 193 Cb -0.12 -3.55 -0.17 0.00 0.00 0.00 0.00 23.12 19.28 1i7u s ALA 193 CO -0.03 -0.82 0.78 1.33 0.00 0.00 0.00 175.76 177.02 1i7u n VAL 194 N 4.61 0.10 -2.49 0.00 0.24 -0.62 -4.93 118.33 115.25 1i7u n VAL 194 Ca 0.12 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1i7u n VAL 194 Cb 0.45 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1i7u n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i7u n SER 195 N -2.03 0.00 -0.72 -1.34 3.41 -1.11 -5.00 113.62 106.83 1i7u n SER 195 Ca -0.00 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1i7u n SER 195 Cb 0.47 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.76 1i7u n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1i7u n ASP 196 N -0.44 2.18 -0.17 4.04 5.75 -1.26 -4.15 116.55 122.50 1i7u n ASP 196 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1i7u n ASP 196 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1i7u n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i7u n HIS 197 N 0.67 0.00 -3.76 2.11 1.44 -1.26 -4.94 115.22 109.48 1i7u n HIS 197 Ca 0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.75 1i7u n HIS 197 Cb 0.42 0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.44 1i7u n HIS 197 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1i7u s GLU 198 N 0.00 0.44 0.01 -1.40 2.12 -1.26 -1.72 118.70 116.89 1i7u s GLU 198 Ca 0.00 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.68 1i7u s GLU 198 Cb 0.00 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1i7u s GLU 198 CO 0.00 -0.07 0.07 0.00 -0.54 0.00 0.00 175.26 174.72 1i7u s ALA 199 N -0.02 -0.14 -0.17 6.30 0.00 0.27 -1.58 121.76 126.42 1i7u s ALA 199 Ca -0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 1i7u s ALA 199 Cb -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1i7u s ALA 199 CO 0.01 -0.19 0.32 0.99 0.00 0.00 0.00 175.76 176.89 1i7u s THR 200 N -1.39 5.28 -0.21 0.00 2.01 0.86 0.41 115.64 122.60 1i7u s THR 200 Ca -0.15 0.58 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 1i7u s THR 200 Cb -0.08 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1i7u s THR 200 CO 0.01 0.36 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.51 1i7u s LEU 201 N 0.67 3.05 -0.11 4.42 1.02 -0.26 -1.54 118.68 125.92 1i7u s LEU 201 Ca 0.17 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.05 1i7u s LEU 201 Cb -0.13 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.30 1i7u s LEU 201 CO 0.05 0.02 -0.23 -0.60 0.02 0.00 0.00 176.35 175.62 1i7u s ARG 202 N 1.23 3.07 -0.22 1.70 3.52 -0.67 -1.64 118.95 125.93 1i7u s ARG 202 Ca 0.03 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 54.69 1i7u s ARG 202 Cb -0.14 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1i7u s ARG 202 CO -0.00 0.14 0.09 0.00 -0.81 0.00 0.00 175.30 174.72 1i7u s TRP 204 N 1.03 3.06 -0.15 0.00 0.52 0.26 -1.78 118.94 121.87 1i7u s TRP 204 Ca 0.05 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.28 1i7u s TRP 204 Cb -0.14 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1i7u s TRP 204 CO 0.03 0.41 -0.10 0.00 0.02 0.00 0.00 176.95 177.32 1i7u s ALA 205 N -0.88 1.65 0.15 0.98 0.00 -0.40 -2.87 121.76 120.39 1i7u s ALA 205 Ca 0.14 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1i7u s ALA 205 Cb -0.11 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1i7u s ALA 205 CO 0.03 -0.55 -0.14 -0.51 0.00 0.00 0.00 175.76 174.60 1i7u s LEU 206 N 1.57 2.47 -1.46 0.00 1.43 -0.15 -1.72 118.68 120.82 1i7u s LEU 206 Ca 0.03 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 1i7u s LEU 206 Cb -0.14 -0.56 0.06 0.00 0.03 0.00 0.00 46.19 45.58 1i7u s LEU 206 CO -0.09 -0.18 0.92 -0.24 0.23 0.00 0.00 176.35 176.98 1i7u n SER 207 N 0.14 -3.83 -4.77 2.29 2.88 -1.00 -0.88 113.62 108.45 1i7u n SER 207 Ca -0.12 -0.78 -0.23 0.00 -1.33 0.00 0.00 58.87 56.41 1i7u n SER 207 Cb 0.59 -4.01 -0.05 0.00 -0.75 0.00 0.00 64.21 59.98 1i7u n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i7u s PHE 208 N -3.41 2.99 -0.27 0.66 -0.12 -1.04 -4.66 117.98 112.13 1i7u s PHE 208 Ca 0.46 -0.14 -0.21 0.00 -0.05 0.00 0.00 56.93 57.00 1i7u s PHE 208 Cb -0.23 -1.35 0.07 0.00 -0.63 0.00 0.00 43.02 40.88 1i7u s PHE 208 CO 0.82 0.55 0.69 -0.47 -0.05 0.00 0.00 175.22 176.76 1i7u s TYR 209 N -2.14 -0.89 1.22 3.49 5.04 -0.55 -0.60 117.35 122.92 1i7u s TYR 209 Ca 0.32 1.98 -0.20 0.00 -2.44 0.00 0.00 57.07 56.72 1i7u s TYR 209 Cb -0.08 0.42 0.30 0.00 0.35 0.00 0.00 41.96 42.95 1i7u s TYR 209 CO 0.23 -0.44 1.14 -1.25 -1.34 0.00 0.00 175.55 173.89 1i7u s PRO 210 N 0.91 -1.37 0.39 4.97 0.04 -1.26 -1.05 135.00 137.64 1i7u s PRO 210 Ca -0.04 -0.23 0.12 0.00 0.04 0.00 0.00 61.00 60.89 1i7u s PRO 210 Cb -0.05 -1.59 0.80 0.00 0.04 0.00 0.00 34.50 33.70 1i7u s PRO 210 CO -0.08 -3.78 1.89 0.00 0.04 0.00 0.00 177.00 175.07 1i7u h ALA 211 N -2.63 1.49 -2.30 8.56 0.00 -1.96 -3.45 119.26 118.98 1i7u h ALA 211 Ca -0.43 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.65 1i7u h ALA 211 Cb 1.28 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.06 1i7u h ALA 211 CO 0.29 0.37 0.91 -1.91 0.00 0.00 0.00 179.25 178.92 1i7u n GLU 212 N -4.21 2.30 -3.50 0.00 4.07 -1.26 -4.96 120.64 113.09 1i7u n GLU 212 Ca -0.02 0.83 -0.11 0.00 -0.06 0.00 0.00 57.16 57.80 1i7u n GLU 212 Cb 0.33 -2.64 -0.03 0.00 -0.06 0.00 0.00 31.44 29.03 1i7u n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1i7u s ILE 213 N 1.74 0.00 -0.11 6.31 2.07 -1.26 -4.68 121.20 125.26 1i7u s ILE 213 Ca 0.81 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 1i7u s ILE 213 Cb -0.64 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.97 1i7u s ILE 213 CO 0.40 0.00 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.43 1i7u s THR 214 N -2.60 1.21 -0.12 4.00 2.01 -0.82 -5.01 115.64 114.30 1i7u s THR 214 Ca -0.00 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1i7u s THR 214 Cb -0.01 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1i7u s THR 214 CO -0.05 0.39 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.36 1i7u s LEU 215 N 1.44 1.76 0.05 4.42 2.01 -1.26 -1.60 118.68 125.49 1i7u s LEU 215 Ca 0.01 -0.46 -0.03 0.00 0.01 0.00 0.00 54.13 53.66 1i7u s LEU 215 Cb -0.13 -1.15 -0.02 0.00 0.01 0.00 0.00 46.19 44.90 1i7u s LEU 215 CO -0.06 0.01 0.03 -0.89 1.01 0.00 0.00 176.35 176.45 1i7u s THR 216 N 1.06 0.17 0.03 5.49 2.01 -0.79 -4.97 115.64 118.65 1i7u s THR 216 Ca -0.04 -1.39 0.07 0.00 0.31 0.00 0.00 61.69 60.64 1i7u s THR 216 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1i7u s THR 216 CO -0.03 -0.77 -0.20 0.26 -0.69 0.00 0.00 174.62 173.19 1i7u s TRP 217 N -3.14 2.51 0.06 4.92 0.52 -1.26 -0.60 118.94 121.95 1i7u s TRP 217 Ca -0.00 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 55.86 1i7u s TRP 217 Cb 0.02 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1i7u s TRP 217 CO -0.07 0.21 -0.11 -0.65 0.02 0.00 0.00 176.95 176.35 1i7u s GLN 218 N -1.32 0.70 -0.17 4.98 -0.21 -0.36 -2.62 119.66 120.66 1i7u s GLN 218 Ca 0.14 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1i7u s GLN 218 Cb -0.10 -0.55 0.02 0.00 1.00 0.00 0.00 33.01 33.38 1i7u s GLN 218 CO 0.04 0.11 -0.16 0.50 -2.12 0.00 0.00 175.29 173.65 1i7u s ARG 219 N -1.87 2.61 -1.69 2.91 3.52 -0.18 -1.36 118.95 122.89 1i7u s ARG 219 Ca -0.04 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1i7u s ARG 219 Cb -0.09 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 1i7u s ARG 219 CO 0.01 -0.26 0.00 -0.25 -0.81 0.00 0.00 175.30 173.99 1i7u n ASP 220 N 4.67 -5.59 0.00 -2.12 9.92 -0.19 -1.17 116.55 122.07 1i7u n ASP 220 Ca -0.19 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1i7u n ASP 220 Cb 0.49 -4.68 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 1i7u n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i7u n GLY 221 N -0.96 0.99 3.88 0.44 0.00 -1.26 -5.02 105.19 103.25 1i7u n GLY 221 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1i7u n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7u s GLU 222 N -0.01 3.50 0.51 1.61 8.01 -0.31 -4.99 118.70 127.02 1i7u s GLU 222 Ca 0.00 -0.07 -0.23 0.00 0.01 0.00 0.00 54.97 54.68 1i7u s GLU 222 Cb 0.00 -3.18 -0.06 0.00 -4.31 0.00 0.00 34.13 26.58 1i7u s GLU 222 CO 0.00 0.76 1.38 -0.51 0.01 0.00 0.00 175.26 176.90 1i7u s ASP 223 N -1.11 5.46 -0.21 -0.19 1.01 -1.26 -1.01 116.67 119.36 1i7u s ASP 223 Ca 0.17 2.82 0.12 0.00 0.71 0.00 0.00 52.55 56.38 1i7u s ASP 223 Cb -0.13 -2.64 0.44 0.00 1.01 0.00 0.00 42.92 41.60 1i7u s ASP 223 CO 0.06 -1.44 1.20 1.67 0.21 0.00 0.00 175.17 176.87 1i7u n GLN 224 N -0.75 2.06 -0.24 8.23 -0.06 -1.08 -4.81 117.38 120.72 1i7u n GLN 224 Ca 0.09 -3.44 0.01 0.00 -2.00 0.00 0.00 57.00 51.65 1i7u n GLN 224 Cb 0.44 -1.63 0.08 0.00 -4.06 0.00 0.00 30.24 25.06 1i7u n GLN 224 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 1i7u h THR 225 N 2.46 0.29 0.00 1.69 1.35 -1.92 0.09 112.91 116.87 1i7u h THR 225 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1i7u h THR 225 Cb 1.30 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1i7u h THR 225 CO 0.27 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 177.10 1i7u h GLN 226 N -0.00 0.00 -0.34 4.72 4.20 -1.99 -2.72 115.11 118.97 1i7u h GLN 226 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1i7u h GLN 226 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1i7u h GLN 226 CO -0.73 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.18 1i7u n ASP 227 N -2.48 2.98 -4.63 1.46 8.00 -0.07 -4.96 116.55 116.84 1i7u n ASP 227 Ca 0.02 -1.89 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 1i7u n ASP 227 Cb 0.26 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1i7u n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7u s THR 228 N -1.08 4.57 -0.28 -3.53 2.01 -0.64 -4.55 115.64 112.13 1i7u s THR 228 Ca 0.28 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 1i7u s THR 228 Cb 0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1i7u s THR 228 CO 0.21 0.50 0.39 -0.70 -0.69 0.00 0.00 174.62 174.33 1i7u s GLU 229 N 0.06 3.93 -0.13 4.92 2.12 0.06 -4.93 118.70 124.74 1i7u s GLU 229 Ca 0.04 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.38 1i7u s GLU 229 Cb -0.12 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.59 1i7u s GLU 229 CO 0.01 -0.34 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.01 1i7u s LEU 230 N 2.10 2.04 0.34 2.70 2.96 -1.26 -0.86 118.68 126.70 1i7u s LEU 230 Ca 0.15 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1i7u s LEU 230 Cb -0.16 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1i7u s LEU 230 CO 0.10 0.08 0.56 0.68 -1.32 0.00 0.00 176.35 176.45 1i7u s VAL 231 N 0.77 5.08 0.39 1.68 -7.23 -1.10 -5.05 120.40 114.94 1i7u s VAL 231 Ca -0.09 -0.31 -0.26 0.00 -1.81 0.00 0.00 61.98 59.51 1i7u s VAL 231 Cb -0.16 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 32.86 1i7u s VAL 231 CO -0.00 -0.52 1.29 -0.70 -0.31 0.00 0.00 175.10 174.86 1i7u s GLU 232 N -4.15 4.03 0.26 4.82 2.12 -1.26 -4.65 118.70 119.88 1i7u s GLU 232 Ca 0.41 2.13 -0.31 0.00 0.36 0.00 0.00 54.97 57.56 1i7u s GLU 232 Cb -0.10 -2.79 -0.12 0.00 0.26 0.00 0.00 34.13 31.38 1i7u s GLU 232 CO 0.35 -0.43 1.63 2.41 -0.54 0.00 0.00 175.26 178.68 1i7u n THR 233 N 0.22 0.66 -4.23 -1.70 -1.04 -1.26 -4.85 114.28 102.08 1i7u n THR 233 Ca 0.03 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 1i7u n THR 233 Cb 0.44 -1.93 -0.12 0.00 -1.82 0.00 0.00 70.33 66.90 1i7u n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7u s ARG 234 N 0.07 0.97 0.16 -2.82 1.70 -0.38 -4.96 118.95 113.68 1i7u s ARG 234 Ca 0.68 -1.06 -0.30 0.00 -0.47 0.00 0.00 55.73 54.58 1i7u s ARG 234 Cb -0.51 -1.08 -0.07 0.00 -0.57 0.00 0.00 34.95 32.72 1i7u s ARG 234 CO 0.43 0.24 1.05 -1.25 -1.08 0.00 0.00 175.30 174.70 1i7u s PRO 235 N -1.87 4.63 0.30 3.89 0.04 -1.26 -0.52 135.00 140.21 1i7u s PRO 235 Ca 0.02 1.62 0.16 0.00 0.04 0.00 0.00 61.00 62.85 1i7u s PRO 235 Cb -0.10 -3.31 0.14 0.00 0.04 0.00 0.00 34.50 31.27 1i7u s PRO 235 CO 0.03 0.13 1.48 0.00 0.04 0.00 0.00 177.00 178.68 1i7u h ALA 236 N 5.26 0.72 0.00 8.56 0.00 -1.45 -3.47 119.26 128.89 1i7u h ALA 236 Ca -0.44 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1i7u h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1i7u h ALA 236 CO 0.72 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.94 1i7u n GLY 237 N 1.15 0.69 0.72 0.00 0.00 -1.26 -4.92 105.19 101.57 1i7u n GLY 237 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1i7u n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7u n ASP 238 N 0.00 3.31 0.00 1.61 5.75 -1.26 -4.94 116.55 121.03 1i7u n ASP 238 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 1i7u n ASP 238 Cb 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1i7u n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i7u n GLY 239 N -0.01 0.18 3.84 6.12 0.00 -1.26 -5.08 105.19 108.98 1i7u n GLY 239 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1i7u n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7u s THR 240 N -2.00 2.11 0.29 2.61 -4.23 -1.26 -4.88 115.64 108.28 1i7u s THR 240 Ca 0.00 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1i7u s THR 240 Cb 0.00 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 1i7u s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1i7u s PHE 241 N -2.64 1.99 0.07 3.99 0.08 0.23 -1.13 117.98 120.58 1i7u s PHE 241 Ca 0.39 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1i7u s PHE 241 Cb -0.01 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 1i7u s PHE 241 CO 0.23 0.26 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.91 1i7u s GLN 242 N -3.75 0.71 -0.12 0.44 -0.21 0.32 -2.37 119.66 114.68 1i7u s GLN 242 Ca 0.31 -1.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 1i7u s GLN 242 Cb 0.05 -0.02 0.11 0.00 1.00 0.00 0.00 33.01 34.15 1i7u s GLN 242 CO 0.13 -0.06 0.93 0.21 -2.12 0.00 0.00 175.29 174.38 1i7u s LYS 243 N -3.71 0.70 0.07 2.91 2.20 -0.70 -1.25 119.74 119.96 1i7u s LYS 243 Ca 0.08 0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.73 1i7u s LYS 243 Cb 0.05 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 1i7u s LYS 243 CO -0.07 -0.23 0.15 1.67 -0.36 0.00 0.00 175.35 176.52 1i7u s TRP 244 N -1.35 0.18 -0.01 4.03 1.48 -1.26 -1.28 118.94 120.74 1i7u s TRP 244 Ca -0.03 -0.58 0.01 0.00 -1.06 0.00 0.00 56.10 54.45 1i7u s TRP 244 Cb -0.00 -0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.21 1i7u s TRP 244 CO 0.02 -0.48 -0.03 0.00 -4.06 0.00 0.00 176.95 172.39 1i7u s ALA 245 N -3.48 0.37 0.07 2.67 0.00 -0.73 -2.71 121.76 117.95 1i7u s ALA 245 Ca 0.02 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1i7u s ALA 245 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1i7u s ALA 245 CO -0.09 0.05 -0.10 0.00 0.00 0.00 0.00 175.76 175.62 1i7u s ALA 246 N 0.21 0.91 -0.00 0.00 0.00 -0.04 -0.23 121.76 122.61 1i7u s ALA 246 Ca -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1i7u s ALA 246 Cb -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1i7u s ALA 246 CO -0.00 -0.02 0.03 0.14 0.00 0.00 0.00 175.76 175.90 1i7u s VAL 247 N -1.99 0.05 -0.25 0.00 -7.23 -0.65 -0.76 120.40 109.56 1i7u s VAL 247 Ca -0.01 -0.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.63 1i7u s VAL 247 Cb -0.06 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 1i7u s VAL 247 CO 0.00 -0.21 0.35 -0.69 -0.31 0.00 0.00 175.10 174.23 1i7u s VAL 248 N -0.64 5.21 -0.05 1.32 1.01 -1.26 -1.11 120.40 124.88 1i7u s VAL 248 Ca -0.07 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1i7u s VAL 248 Cb -0.04 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1i7u s VAL 248 CO -0.00 0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.51 1i7u s VAL 249 N 1.79 3.44 0.13 2.92 1.01 0.17 -4.92 120.40 124.93 1i7u s VAL 249 Ca 0.15 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 1i7u s VAL 249 Cb -0.15 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 1i7u s VAL 249 CO 0.09 0.57 1.48 -2.84 0.00 0.00 0.00 175.10 174.40 1i7u s PRO 250 N -0.86 4.27 -0.04 2.72 0.02 -1.26 -0.56 135.00 139.28 1i7u s PRO 250 Ca 0.13 2.20 -0.37 0.00 0.02 0.00 0.00 61.00 62.98 1i7u s PRO 250 Cb -0.11 -3.25 -0.15 0.00 0.02 0.00 0.00 34.50 31.01 1i7u s PRO 250 CO 0.02 -0.53 1.57 0.43 -0.33 0.00 0.00 177.00 178.16 1i7u n SER 251 N 4.12 2.31 0.00 2.53 7.64 -0.70 -1.36 113.62 128.16 1i7u n SER 251 Ca 0.13 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1i7u n SER 251 Cb 0.41 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1i7u n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7u n GLY 252 N 3.42 2.14 0.99 0.23 0.00 -1.26 -4.94 105.19 105.78 1i7u n GLY 252 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1i7u n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7u n GLN 253 N -0.94 2.98 -0.29 1.61 6.02 -0.46 -4.68 117.38 121.62 1i7u n GLN 253 Ca 0.00 -2.42 0.12 0.00 -0.01 0.00 0.00 57.00 54.69 1i7u n GLN 253 Cb 0.00 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.04 1i7u n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i7u h GLU 254 N 2.89 0.34 0.00 -1.09 3.07 -1.93 0.14 114.58 118.00 1i7u h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1i7u h GLU 254 Cb 0.98 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1i7u h GLU 254 CO 0.06 0.22 0.00 0.00 -1.40 0.00 0.00 179.01 177.89 1i7u n GLN 255 N -5.09 0.08 0.13 2.33 10.64 -1.26 -2.02 117.38 122.19 1i7u n GLN 255 Ca 0.21 0.50 0.12 0.00 -1.83 0.00 0.00 57.00 56.00 1i7u n GLN 255 Cb 0.62 -1.73 0.26 0.00 -0.86 0.00 0.00 30.24 28.54 1i7u n GLN 255 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1i7u h ARG 256 N 0.00 0.00 -5.74 2.61 3.08 -1.33 -3.46 114.38 109.54 1i7u h ARG 256 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1i7u h ARG 256 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1i7u h ARG 256 CO 0.00 0.00 -0.49 0.71 -1.07 0.00 0.00 179.97 179.12 1i7u s TYR 257 N -3.17 3.57 -0.00 3.04 1.51 -0.86 -1.02 117.35 120.42 1i7u s TYR 257 Ca 0.08 0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.59 1i7u s TYR 257 Cb 0.10 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1i7u s TYR 257 CO 0.66 0.69 -0.07 0.95 -1.11 0.00 0.00 175.55 176.66 1i7u s THR 258 N -1.20 0.56 -0.16 -0.71 -4.23 -0.47 -4.37 115.64 105.07 1i7u s THR 258 Ca 0.22 -0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.34 1i7u s THR 258 Cb -0.12 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1i7u s THR 258 CO 0.13 0.15 0.10 0.00 -0.54 0.00 0.00 174.62 174.46 1i7u s HIS 260 N -0.23 2.65 -0.10 0.00 3.76 0.23 -0.25 115.29 121.35 1i7u s HIS 260 Ca 0.10 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.30 1i7u s HIS 260 Cb -0.12 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1i7u s HIS 260 CO 0.01 -0.23 -0.16 0.08 -0.85 0.00 0.00 174.74 173.58 1i7u s VAL 261 N 0.12 1.53 -0.11 -0.90 1.01 -0.38 -1.88 120.40 119.79 1i7u s VAL 261 Ca -0.09 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1i7u s VAL 261 Cb -0.16 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1i7u s VAL 261 CO 0.06 0.45 -0.20 -1.10 0.00 0.00 0.00 175.10 174.31 1i7u s GLN 262 N 0.75 2.66 -0.09 2.72 -0.21 -0.63 -1.30 119.66 123.56 1i7u s GLN 262 Ca -0.12 -0.73 -0.26 0.00 0.02 0.00 0.00 55.36 54.27 1i7u s GLN 262 Cb -0.16 -2.13 0.06 0.00 1.00 0.00 0.00 33.01 31.79 1i7u s GLN 262 CO 0.02 0.03 0.60 -1.58 -2.12 0.00 0.00 175.29 172.25 1i7u s HIS 263 N 0.71 -0.58 0.54 0.91 2.46 -1.26 -1.95 115.29 116.11 1i7u s HIS 263 Ca -0.11 1.10 0.21 0.00 0.47 0.00 0.00 55.06 56.73 1i7u s HIS 263 Cb -0.16 0.31 1.41 0.00 -0.13 0.00 0.00 32.58 34.01 1i7u s HIS 263 CO 0.02 -0.51 2.12 1.49 -2.47 0.00 0.00 174.74 175.39 1i7u h GLU 264 N 3.65 0.00 -0.00 2.88 4.81 -1.94 -1.82 114.58 122.16 1i7u h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1i7u h GLU 264 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1i7u h GLU 264 CO 0.33 0.00 -0.02 0.41 -0.73 0.00 0.00 179.01 179.00 1i7u n GLY 265 N -1.52 -0.99 3.74 1.92 0.00 -1.26 -4.80 105.19 102.27 1i7u n GLY 265 Ca 0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1i7u n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i7u s LEU 266 N -2.22 4.27 0.56 0.99 1.43 -0.68 -4.44 118.68 118.58 1i7u s LEU 266 Ca 0.39 0.57 0.32 0.00 -1.03 0.00 0.00 54.13 54.38 1i7u s LEU 266 Cb 0.21 -2.41 1.68 0.00 0.03 0.00 0.00 46.19 45.69 1i7u s LEU 266 CO 0.41 0.11 2.14 1.55 0.23 0.00 0.00 176.35 180.80 1i7u h PRO 267 N 6.48 0.00 -2.24 1.29 0.13 -1.87 -3.44 132.00 132.35 1i7u h PRO 267 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1i7u h PRO 267 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 1i7u h PRO 267 CO 0.74 0.07 0.11 0.15 -0.23 0.00 0.00 178.00 178.84 1i7u s LYS 268 N -4.18 1.01 0.47 0.86 1.02 -1.26 -5.15 119.74 112.51 1i7u s LYS 268 Ca -0.03 0.14 -0.24 0.00 0.02 0.00 0.00 55.97 55.85 1i7u s LYS 268 Cb 0.13 0.47 -0.08 0.00 -0.52 0.00 0.00 37.83 37.83 1i7u s LYS 268 CO 0.54 -0.32 1.36 -2.30 -0.92 0.00 0.00 175.35 173.71 1i7u n PRO 269 N 0.88 2.01 -3.71 -1.68 -0.02 -1.26 -4.97 135.00 126.24 1i7u n PRO 269 Ca -0.19 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 1i7u n PRO 269 Cb 0.57 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1i7u n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i7u s LEU 270 N -2.50 4.34 -0.18 2.45 1.43 -0.42 -4.94 118.68 118.86 1i7u s LEU 270 Ca 0.64 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1i7u s LEU 270 Cb -0.46 -2.90 0.05 0.00 0.03 0.00 0.00 46.19 42.92 1i7u s LEU 270 CO 0.56 0.19 0.00 -0.89 0.23 0.00 0.00 176.35 176.44 1i7u s THR 271 N -1.41 0.75 0.06 5.49 2.01 -1.26 -1.25 115.64 120.02 1i7u s THR 271 Ca 0.32 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1i7u s THR 271 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1i7u s THR 271 CO 0.19 -0.09 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.24 1i7u s LEU 272 N 1.77 3.34 -0.06 4.42 1.43 0.65 -4.93 118.68 125.31 1i7u s LEU 272 Ca -0.01 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1i7u s LEU 272 Cb -0.17 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1i7u s LEU 272 CO -0.07 0.22 0.14 -0.60 0.23 0.00 0.00 176.35 176.26 1i7u s ARG 273 N -1.97 0.13 -0.32 1.70 3.52 -1.26 -0.08 118.95 120.67 1i7u s ARG 273 Ca 0.22 0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.79 1i7u s ARG 273 Cb -0.11 -0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.27 1i7u s ARG 273 CO 0.14 -0.07 1.17 -0.46 -0.81 0.00 0.00 175.30 175.26 1i7u s TRP 274 N 0.49 2.95 0.00 5.12 -0.11 -1.26 -5.07 118.94 121.06 1i7u s TRP 274 Ca -0.03 1.04 0.00 0.00 1.22 0.00 0.00 56.10 58.32 1i7u s TRP 274 Cb -0.05 -3.82 0.00 0.00 -1.50 0.00 0.00 33.47 28.10 1i7u s TRP 274 CO -0.02 -1.17 0.00 -0.85 -4.62 0.00 0.00 176.95 170.29