#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 5.09 0.17 1.61 0.01 -1.26 -3.99 113.70 115.32 1i7u s SER 2 Ca 0.00 1.16 -0.08 0.00 1.31 0.00 0.00 55.95 58.34 1i7u s SER 2 Cb 0.00 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 1i7u s SER 2 CO 0.00 -1.57 0.27 -1.00 0.41 0.00 0.00 173.24 171.35 1i7u s HIS 3 N -3.31 0.43 0.07 2.43 0.09 -0.31 -4.95 115.29 109.75 1i7u s HIS 3 Ca 0.59 -0.80 -0.15 0.00 -0.00 0.00 0.00 55.06 54.70 1i7u s HIS 3 Cb -0.12 -0.08 0.03 0.00 -0.00 0.00 0.00 32.58 32.41 1i7u s HIS 3 CO 0.52 -0.71 0.36 -1.54 -0.00 0.00 0.00 174.74 173.37 1i7u s SER 4 N -2.98 -0.19 -0.04 1.40 1.04 -1.26 -0.47 113.70 111.20 1i7u s SER 4 Ca 0.18 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1i7u s SER 4 Cb 0.03 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1i7u s SER 4 CO 0.01 -0.72 -0.12 -0.32 0.98 0.00 0.00 173.24 173.07 1i7u s MET 5 N -3.05 1.36 -0.07 4.02 1.75 -0.74 -0.39 119.30 122.18 1i7u s MET 5 Ca -0.02 -0.40 -0.07 0.00 -1.25 0.00 0.00 55.69 53.95 1i7u s MET 5 Cb 0.01 -1.20 0.02 0.00 2.84 0.00 0.00 34.83 36.50 1i7u s MET 5 CO -0.06 0.12 0.20 1.03 -0.65 0.00 0.00 175.02 175.66 1i7u s ARG 6 N 0.30 0.28 -0.09 4.11 0.52 -0.19 -1.81 118.95 122.07 1i7u s ARG 6 Ca -0.06 0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1i7u s ARG 6 Cb -0.11 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 1i7u s ARG 6 CO 0.02 -0.04 -0.16 0.71 0.02 0.00 0.00 175.30 175.85 1i7u s TYR 7 N -0.09 2.70 -0.11 -0.53 2.02 -0.40 -0.43 117.35 120.50 1i7u s TYR 7 Ca -0.02 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.22 1i7u s TYR 7 Cb -0.02 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1i7u s TYR 7 CO 0.01 -0.07 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.62 1i7u s PHE 8 N -0.14 2.61 -0.05 2.71 0.40 -0.03 -2.41 117.98 121.07 1i7u s PHE 8 Ca -0.02 -1.12 0.04 0.00 -0.60 0.00 0.00 56.93 55.24 1i7u s PHE 8 Cb -0.14 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.64 1i7u s PHE 8 CO 0.04 -0.47 -0.18 -0.06 0.70 0.00 0.00 175.22 175.24 1i7u s PHE 9 N 0.49 1.83 -0.08 0.36 0.08 0.26 -1.45 117.98 119.47 1i7u s PHE 9 Ca -0.15 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1i7u s PHE 9 Cb -0.17 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1i7u s PHE 9 CO 0.06 -0.19 -0.07 0.99 -0.10 0.00 0.00 175.22 175.91 1i7u s THR 10 N 0.05 0.83 -0.11 0.64 2.01 -0.48 -1.26 115.64 117.32 1i7u s THR 10 Ca -0.05 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1i7u s THR 10 Cb -0.12 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1i7u s THR 10 CO 0.03 0.31 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.52 1i7u s SER 11 N 1.30 2.77 -0.10 3.53 0.15 0.01 -1.38 113.70 120.00 1i7u s SER 11 Ca -0.04 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.11 1i7u s SER 11 Cb -0.14 -1.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.92 1i7u s SER 11 CO -0.03 0.08 -0.10 -0.69 1.20 0.00 0.00 173.24 173.70 1i7u s VAL 12 N 0.69 1.14 0.49 4.45 1.01 -0.42 -1.06 120.40 126.69 1i7u s VAL 12 Ca -0.12 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1i7u s VAL 12 Cb -0.16 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 1i7u s VAL 12 CO 0.02 0.37 0.97 -0.94 0.00 0.00 0.00 175.10 175.52 1i7u s SER 13 N 1.21 6.68 -0.43 3.32 1.04 -0.65 -1.33 113.70 123.53 1i7u s SER 13 Ca -0.04 1.57 0.07 0.00 0.48 0.00 0.00 55.95 58.03 1i7u s SER 13 Cb -0.14 -2.50 0.24 0.00 0.10 0.00 0.00 66.02 63.71 1i7u s SER 13 CO -0.03 -0.53 0.64 -2.11 0.98 0.00 0.00 173.24 172.19 1i7u n ARG 14 N -1.38 0.68 -1.52 4.02 1.85 -1.26 -4.17 116.66 114.88 1i7u n ARG 14 Ca 0.06 -2.64 -0.54 0.00 -1.00 0.00 0.00 57.85 53.73 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 1.68 0.48 -1.02 2.89 -0.02 -1.26 -0.78 135.00 136.97 1i7u n PRO 15 Ca 0.17 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1i7u n PRO 15 Cb 0.56 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.88 0.41 1.98 -1.23 0.00 -1.26 -4.86 105.19 102.11 1i7u n GLY 16 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.90 1.09 0.00 1.61 1.74 0.04 -5.13 116.66 114.12 1i7u n ARG 17 Ca -0.01 -2.87 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 1i7u n ARG 17 Cb 0.16 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.16 -2.12 3.84 -0.13 0.00 -1.26 -4.93 105.19 100.43 1i7u n GLY 18 Ca 0.10 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.16 2.80 0.60 1.61 -1.05 -1.26 -4.61 118.70 116.63 1i7u s GLU 19 Ca 0.00 0.69 -0.19 0.00 -0.15 0.00 0.00 54.97 55.32 1i7u s GLU 19 Cb 0.00 -1.99 -0.04 0.00 -0.44 0.00 0.00 34.13 31.65 1i7u s GLU 19 CO 0.00 -1.13 1.05 -2.30 0.95 0.00 0.00 175.26 173.83 1i7u n PRO 20 N -3.11 1.02 -3.31 -4.83 -0.02 -1.26 -4.76 135.00 118.73 1i7u n PRO 20 Ca 0.07 0.39 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 1i7u n PRO 20 Cb 0.55 -2.25 -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 -2.83 4.17 -0.09 -0.52 3.52 -0.44 -4.86 118.95 117.90 1i7u s ARG 21 Ca 0.76 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 57.05 1i7u s ARG 21 Cb -0.42 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1i7u s ARG 21 CO 0.47 0.59 -0.18 0.12 -0.81 0.00 0.00 175.30 175.49 1i7u s PHE 22 N -0.89 2.03 -0.08 5.12 5.36 -1.26 -1.31 117.98 126.95 1i7u s PHE 22 Ca 0.28 -0.85 0.02 0.00 -0.96 0.00 0.00 56.93 55.42 1i7u s PHE 22 Cb -0.19 -1.42 0.01 0.00 -0.34 0.00 0.00 43.02 41.09 1i7u s PHE 22 CO 0.17 -0.40 -0.15 0.42 -1.46 0.00 0.00 175.22 173.81 1i7u s ILE 23 N 0.65 1.40 -0.04 3.12 -1.09 -0.48 -0.95 121.20 123.82 1i7u s ILE 23 Ca -0.14 -0.62 0.05 0.00 -2.23 0.00 0.00 60.65 57.71 1i7u s ILE 23 Cb -0.16 -1.26 -0.01 0.00 -1.58 0.00 0.00 42.46 39.45 1i7u s ILE 23 CO 0.04 0.42 -0.19 0.00 -1.23 0.00 0.00 174.94 173.97 1i7u s ALA 24 N 0.68 1.65 0.02 9.38 0.00 -0.07 -1.39 121.76 132.04 1i7u s ALA 24 Ca -0.13 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1i7u s ALA 24 Cb -0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1i7u s ALA 24 CO 0.04 0.34 -0.05 0.14 0.00 0.00 0.00 175.76 176.22 1i7u s VAL 25 N -0.15 0.35 -0.01 0.00 -7.23 -0.52 -1.15 120.40 111.69 1i7u s VAL 25 Ca -0.00 -0.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 1i7u s VAL 25 Cb -0.11 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 1i7u s VAL 25 CO 0.01 -0.26 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.48 1i7u s GLY 26 N -1.05 1.16 0.06 2.32 0.00 -0.87 -0.85 107.32 108.09 1i7u s GLY 26 Ca -0.08 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.66 1i7u s GLY 26 CO -0.00 -0.87 -0.14 -0.19 0.00 0.00 0.00 173.10 171.90 1i7u s TYR 27 N -0.59 1.16 -0.20 1.90 1.51 0.43 -0.92 117.35 120.65 1i7u s TYR 27 Ca 0.09 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1i7u s TYR 27 Cb -0.09 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1i7u s TYR 27 CO -0.00 0.04 -0.16 0.08 -1.11 0.00 0.00 175.55 174.40 1i7u s VAL 28 N -1.19 1.96 0.00 0.71 1.01 -0.41 -1.02 120.40 121.46 1i7u s VAL 28 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1i7u s VAL 28 Cb -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1i7u s VAL 28 CO 0.02 0.36 0.00 0.47 0.00 0.00 0.00 175.10 175.95 1i7u n ASP 29 N 4.61 0.00 -2.01 3.32 8.00 0.47 -1.01 116.55 129.94 1i7u n ASP 29 Ca -0.18 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.27 1i7u n ASP 29 Cb 0.48 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.89 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 3.77 4.90 -4.19 -2.24 8.00 -1.26 -4.89 116.55 120.63 1i7u n ASP 30 Ca 0.00 -3.18 -0.34 0.00 0.71 0.00 0.00 54.79 51.98 1i7u n ASP 30 Cb 0.00 -0.74 -0.15 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.93 2.64 0.40 -3.53 2.01 -0.18 -5.01 115.64 109.05 1i7u s THR 31 Ca 0.54 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.45 1i7u s THR 31 Cb 0.43 -2.22 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 1i7u s THR 31 CO 0.14 0.40 1.05 -1.58 -0.69 0.00 0.00 174.62 173.94 1i7u s GLN 32 N 1.35 4.14 0.00 4.92 0.74 -1.26 -1.29 119.66 128.26 1i7u s GLN 32 Ca 0.04 1.51 0.00 0.00 0.05 0.00 0.00 55.36 56.96 1i7u s GLN 32 Cb -0.14 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.45 1i7u s GLN 32 CO -0.08 -0.16 0.00 1.97 -0.55 0.00 0.00 175.29 176.47 1i7u n PHE 33 N -0.12 0.00 -3.88 1.67 -1.74 -0.10 -4.26 117.46 109.03 1i7u n PHE 33 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.85 1i7u n PHE 33 Cb 0.50 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.43 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 -0.68 0.11 0.14 1.97 -7.23 -1.23 -0.42 120.40 113.06 1i7u s VAL 34 Ca 0.00 -1.23 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 1i7u s VAL 34 Cb 0.00 -1.51 0.05 0.00 0.56 0.00 0.00 36.38 35.49 1i7u s VAL 34 CO 0.00 -0.52 0.50 0.00 -0.31 0.00 0.00 175.10 174.77 1i7u s ARG 35 N -3.90 1.16 -0.14 4.82 1.70 -0.57 -2.04 118.95 119.98 1i7u s ARG 35 Ca 0.09 -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 0.35 0.12 -1.08 0.00 0.00 175.30 174.14 1i7u s PHE 36 N -3.71 -0.45 -0.11 5.89 5.36 -0.30 -0.67 117.98 123.99 1i7u s PHE 36 Ca 0.02 1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 57.01 1i7u s PHE 36 Cb 0.00 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1i7u s PHE 36 CO -0.12 -0.25 -0.03 0.34 -1.46 0.00 0.00 175.22 173.70 1i7u s ASP 37 N 0.79 2.11 0.57 6.13 -1.08 -1.26 -0.90 116.67 123.03 1i7u s ASP 37 Ca -0.05 -0.31 0.38 0.00 -0.52 0.00 0.00 52.55 52.04 1i7u s ASP 37 Cb -0.06 -0.67 1.95 0.00 -1.46 0.00 0.00 42.92 42.68 1i7u s ASP 37 CO -0.06 -0.17 2.15 0.77 0.52 0.00 0.00 175.17 178.38 1i7u h SER 38 N 8.23 0.00 0.78 -0.34 4.64 -1.44 -2.06 113.55 123.36 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 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1i7u h SER 38 CO 0.34 0.00 -0.79 0.47 -0.87 0.00 0.00 176.83 175.98 1i7u n ASP 39 N -2.90 0.70 -4.76 4.97 9.92 -1.26 -4.95 116.55 118.27 1i7u n ASP 39 Ca -0.02 0.08 -0.31 0.00 -0.53 0.00 0.00 54.79 54.01 1i7u n ASP 39 Cb 0.12 0.37 0.10 0.00 -0.64 0.00 0.00 41.12 41.07 1i7u n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i7u s ALA 40 N -3.21 2.17 0.07 2.24 0.00 -0.78 -4.99 121.76 117.26 1i7u s ALA 40 Ca 0.04 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1i7u s ALA 40 Cb 0.13 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.79 1i7u s ALA 40 CO 0.75 -1.87 1.25 0.00 0.00 0.00 0.00 175.76 175.90 1i7u h ALA 41 N -1.20 0.24 -0.94 0.00 0.00 -1.92 -3.34 119.26 112.09 1i7u h ALA 41 Ca -0.44 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 53.96 1i7u h ALA 41 Cb 1.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1i7u h ALA 41 CO 0.51 0.53 0.61 0.66 0.00 0.00 0.00 179.25 181.56 1i7u h SER 42 N 0.31 1.00 -4.44 0.00 4.64 -1.94 -3.46 113.55 109.66 1i7u h SER 42 Ca -0.05 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.89 1i7u h SER 42 Cb 1.30 -0.22 0.07 0.00 -0.31 0.00 0.00 62.40 63.24 1i7u h SER 42 CO 0.14 0.67 -0.57 0.00 -0.87 0.00 0.00 176.83 176.19 1i7u n GLN 43 N -4.46 -5.18 -4.10 4.77 1.13 -1.26 -5.00 117.38 103.29 1i7u n GLN 43 Ca 0.13 0.82 -0.10 0.00 -1.94 0.00 0.00 57.00 55.92 1i7u n GLN 43 Cb 0.13 -5.57 -0.10 0.00 0.11 0.00 0.00 30.24 24.81 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 -5.75 0.64 0.25 -1.09 0.52 -1.26 -5.03 118.95 107.23 1i7u s ARG 44 Ca 0.34 -1.11 -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 0.42 -0.04 1.18 1.41 0.02 0.00 0.00 175.30 178.29 1i7u s MET 45 N -3.19 4.52 0.08 3.54 -2.45 -1.26 -4.71 119.30 115.85 1i7u s MET 45 Ca 0.03 1.91 0.08 0.00 -1.25 0.00 0.00 55.69 56.46 1i7u s MET 45 Cb 0.02 -3.19 -0.03 0.00 1.25 0.00 0.00 34.83 32.88 1i7u s MET 45 CO -0.05 0.01 -0.20 -1.21 1.05 0.00 0.00 175.02 174.62 1i7u s GLU 46 N -0.99 1.17 0.35 4.11 2.02 0.16 -4.90 118.70 120.62 1i7u s GLU 46 Ca 0.49 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 1i7u s GLU 46 Cb -0.34 -1.38 -0.09 0.00 0.10 0.00 0.00 34.13 32.42 1i7u s GLU 46 CO 0.41 0.33 1.10 -1.25 0.02 0.00 0.00 175.26 175.88 1i7u s PRO 47 N -1.69 4.34 -0.02 0.39 0.04 -1.26 -1.52 135.00 135.29 1i7u s PRO 47 Ca 0.06 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1i7u s PRO 47 Cb -0.10 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.63 1i7u s PRO 47 CO 0.03 -0.03 0.83 0.54 0.04 0.00 0.00 177.00 178.41 1i7u n ARG 48 N 0.52 0.99 -3.79 4.56 5.12 0.43 -4.87 116.66 119.61 1i7u n ARG 48 Ca 0.02 -1.17 -0.13 0.00 -1.93 0.00 0.00 57.85 54.64 1i7u n ARG 48 Cb 0.47 -0.78 -0.11 0.00 -1.16 0.00 0.00 32.46 30.88 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 -0.69 -0.61 0.31 7.54 0.00 -1.24 -4.65 121.76 122.42 1i7u s ALA 49 Ca 0.05 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1i7u s ALA 49 Cb 0.04 -0.33 0.55 0.00 0.00 0.00 0.00 23.12 23.38 1i7u s ALA 49 CO 0.00 -0.14 1.93 -1.35 0.00 0.00 0.00 175.76 176.21 1i7u h PRO 50 N 5.48 0.97 0.00 0.00 0.11 -1.95 -2.97 132.00 133.65 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 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1i7u h PRO 50 CO 0.36 0.64 0.00 0.11 -0.21 0.00 0.00 178.00 178.90 1i7u h TRP 51 N 1.00 0.00 0.00 0.65 5.08 -1.97 -2.64 115.95 118.07 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 0.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 1i7u h TRP 51 CO -0.00 0.00 -0.78 1.51 -1.28 0.00 0.00 178.44 177.89 1i7u n ILE 52 N -2.78 0.01 0.29 0.12 0.13 -1.12 -4.11 119.36 111.90 1i7u n ILE 52 Ca -0.00 -0.02 0.17 0.00 -1.10 0.00 0.00 62.75 61.80 1i7u n ILE 52 Cb 0.20 0.60 0.83 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 -2.56 114.58 125.07 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 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1i7u h GLU 53 CO 0.00 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 1i7u n GLN 54 N -3.23 0.23 -1.86 2.33 6.02 -1.26 -4.82 117.38 114.78 1i7u n GLN 54 Ca -0.01 0.27 -0.41 0.00 -0.01 0.00 0.00 57.00 56.85 1i7u n GLN 54 Cb 0.23 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.68 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 -3.16 4.03 1.15 -1.09 0.41 -0.97 -4.99 118.70 114.08 1i7u s GLU 55 Ca 0.09 2.45 -0.19 0.00 -0.41 0.00 0.00 54.97 56.91 1i7u s GLU 55 Cb 0.12 -2.89 0.28 0.00 -1.78 0.00 0.00 34.13 29.85 1i7u s GLU 55 CO 0.53 -0.55 1.22 0.20 -0.49 0.00 0.00 175.26 176.16 1i7u s GLY 56 N -0.32 1.69 0.53 -1.39 0.00 -1.26 -4.82 107.32 101.74 1i7u s GLY 56 Ca 0.54 -1.20 0.21 0.00 0.00 0.00 0.00 44.72 44.28 1i7u s GLY 56 CO 0.59 -0.29 2.14 -0.56 0.00 0.00 0.00 173.10 174.98 1i7u h PRO 57 N -2.34 0.00 -0.59 2.90 0.13 -1.98 -1.96 132.00 128.15 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 32.35 1i7u h PRO 57 CO 0.29 0.05 0.30 1.49 -0.23 0.00 0.00 178.00 179.90 1i7u h GLU 58 N 0.00 0.84 0.23 0.86 4.57 -1.99 0.96 114.58 120.04 1i7u h GLU 58 Ca -0.00 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1i7u h GLU 58 Cb 0.11 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1i7u h GLU 58 CO 0.01 0.66 -0.11 -0.92 -1.18 0.00 0.00 179.01 177.47 1i7u h TYR 59 N 0.80 -0.28 -0.65 0.92 3.20 -1.71 -1.08 116.97 118.17 1i7u h TYR 59 Ca 0.20 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1i7u h TYR 59 Cb 0.09 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1i7u h TYR 59 CO -0.01 -0.07 0.17 -1.49 -1.64 0.00 0.00 178.16 175.13 1i7u h TRP 60 N -0.45 1.06 -0.58 -3.82 4.06 -1.36 -0.27 115.95 114.58 1i7u h TRP 60 Ca -0.03 -0.11 -0.10 0.00 2.06 0.00 0.00 58.89 60.70 1i7u h TRP 60 Cb 0.34 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1i7u h TRP 60 CO -0.02 0.86 -0.05 -0.44 -3.56 0.00 0.00 178.44 175.23 1i7u h ASP 61 N 0.97 1.03 -0.40 -3.49 3.32 -0.78 -1.49 116.42 115.59 1i7u h ASP 61 Ca 0.21 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1i7u h ASP 61 Cb 0.33 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1i7u h ASP 61 CO -0.00 1.11 -0.05 1.23 -1.72 0.00 0.00 179.24 179.81 1i7u h GLY 62 N 0.97 0.80 1.97 2.75 0.00 -0.82 -1.62 103.07 107.12 1i7u h GLY 62 Ca 0.16 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 1i7u h GLY 62 CO 0.04 0.57 -0.57 0.83 0.00 0.00 0.00 176.54 177.41 1i7u h GLU 63 N 0.56 0.03 -0.28 4.80 4.39 -1.01 -2.04 114.58 121.03 1i7u h GLU 63 Ca 0.11 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1i7u h GLU 63 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1i7u h GLU 63 CO 0.03 0.60 -0.08 1.15 -1.16 0.00 0.00 179.01 179.55 1i7u h THR 64 N 0.02 1.28 -0.20 1.13 2.02 -1.17 0.38 112.91 116.37 1i7u h THR 64 Ca -0.01 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1i7u h THR 64 Cb 1.02 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1i7u h THR 64 CO 0.08 0.35 0.11 -0.09 0.37 0.00 0.00 175.52 176.34 1i7u h ARG 65 N 0.30 0.28 -0.51 6.66 2.43 -1.18 -1.85 114.38 120.51 1i7u h ARG 65 Ca 0.07 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1i7u h ARG 65 Cb 0.56 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1i7u h ARG 65 CO 0.03 0.26 -0.04 0.87 -1.51 0.00 0.00 179.97 179.58 1i7u h LYS 66 N 0.23 0.93 -0.24 0.20 1.57 -1.32 -2.80 116.57 115.14 1i7u h LYS 66 Ca 0.07 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1i7u h LYS 66 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1i7u h LYS 66 CO -0.01 0.97 -0.21 -0.24 -0.57 0.00 0.00 179.45 179.39 1i7u h VAL 67 N 0.80 1.25 0.00 0.50 3.04 -0.80 -1.37 116.25 119.67 1i7u h VAL 67 Ca 0.14 -1.16 -0.07 0.00 -1.01 0.00 0.00 66.70 64.60 1i7u h VAL 67 Cb 0.58 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 1i7u h VAL 67 CO 0.03 0.37 -0.35 0.07 -1.01 0.00 0.00 177.57 176.68 1i7u h LYS 68 N 0.39 0.00 -0.24 4.17 2.10 -1.27 -0.72 116.57 121.00 1i7u h LYS 68 Ca 0.06 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.54 1i7u h LYS 68 Cb 0.59 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1i7u h LYS 68 CO 0.04 0.35 -0.56 0.00 -2.00 0.00 0.00 179.45 177.28 1i7u h ALA 69 N 1.65 0.55 -0.27 0.07 0.00 -1.08 -1.40 119.26 118.79 1i7u h ALA 69 Ca -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1i7u h ALA 69 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1i7u h ALA 69 CO 0.05 0.69 0.10 0.45 0.00 0.00 0.00 179.25 180.54 1i7u h HIS 70 N 0.57 0.42 0.10 0.00 3.86 -0.83 -2.33 115.15 116.94 1i7u h HIS 70 Ca 0.01 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1i7u h HIS 70 Cb 1.15 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 1i7u h HIS 70 CO 0.06 0.43 -0.20 1.03 0.86 0.00 0.00 177.93 180.12 1i7u h SER 71 N 0.29 -0.55 -1.01 2.45 0.87 -1.00 0.00 113.55 114.61 1i7u h SER 71 Ca 0.09 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1i7u h SER 71 Cb 0.19 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 1i7u h SER 71 CO -0.01 -0.28 0.65 1.56 -0.53 0.00 0.00 176.83 178.23 1i7u h GLN 72 N -0.37 1.17 -0.22 2.24 1.08 -1.23 -0.22 115.11 117.56 1i7u h GLN 72 Ca 0.03 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 1i7u h GLN 72 Cb 0.39 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1i7u h GLN 72 CO -0.11 0.77 -0.26 1.15 -0.95 0.00 0.00 178.83 179.43 1i7u h THR 73 N 1.21 1.33 0.00 -0.54 2.02 -1.06 -2.49 112.91 113.37 1i7u h THR 73 Ca 0.42 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1i7u h THR 73 Cb 0.12 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1i7u h THR 73 CO -0.16 0.45 0.00 1.41 0.37 0.00 0.00 175.52 177.59 1i7u n HIS 74 N -4.36 0.85 0.01 3.16 8.25 -0.04 -0.59 115.22 122.49 1i7u n HIS 74 Ca -0.05 0.29 -0.18 0.00 -0.26 0.00 0.00 57.72 57.52 1i7u n HIS 74 Cb 0.45 -0.97 -0.11 0.00 1.12 0.00 0.00 29.99 30.48 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 0.47 -0.15 -0.41 2.43 -0.93 -3.20 114.38 112.59 1i7u h ARG 75 Ca 0.00 -0.49 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 1i7u h ARG 75 Cb 0.53 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1i7u h ARG 75 CO 0.00 1.14 -0.43 0.28 -1.51 0.00 0.00 179.97 179.45 1i7u h VAL 76 N 0.00 1.31 -0.69 0.20 2.07 -0.95 -3.09 116.25 115.11 1i7u h VAL 76 Ca -0.08 -1.58 0.12 0.00 0.82 0.00 0.00 66.70 65.98 1i7u h VAL 76 Cb 1.36 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 1i7u h VAL 76 CO 0.13 0.48 0.46 0.44 0.02 0.00 0.00 177.57 179.10 1i7u h ASP 77 N 0.30 0.40 -0.72 0.57 3.32 -0.84 -0.31 116.42 119.14 1i7u h ASP 77 Ca 0.02 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1i7u h ASP 77 Cb 0.88 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1i7u h ASP 77 CO 0.07 0.22 0.42 -0.07 -1.72 0.00 0.00 179.24 178.17 1i7u h LEU 78 N 0.44 0.87 -0.58 1.55 3.38 -1.57 -1.49 115.31 117.91 1i7u h LEU 78 Ca 0.33 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 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 -0.10 0.69 0.04 1.23 0.09 0.00 0.00 178.44 180.38 1i7u h GLY 79 N 0.98 1.08 0.97 0.83 0.00 -1.21 -2.12 103.07 103.61 1i7u h GLY 79 Ca 0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1i7u h GLY 79 CO -0.05 0.71 0.23 -0.84 0.00 0.00 0.00 176.54 176.60 1i7u h THR 80 N 0.90 1.15 -0.18 4.70 2.02 -0.99 -2.65 112.91 117.85 1i7u h THR 80 Ca 0.17 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1i7u h THR 80 Cb 0.50 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1i7u h THR 80 CO 0.02 0.15 -0.46 -0.07 0.37 0.00 0.00 175.52 175.54 1i7u h LEU 81 N 0.53 0.48 -1.22 2.58 4.07 -1.23 -1.15 115.31 119.38 1i7u h LEU 81 Ca 0.15 -0.22 0.06 0.00 0.08 0.00 0.00 57.88 57.94 1i7u h LEU 81 Cb 0.04 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 1i7u h LEU 81 CO -0.02 0.87 0.55 -0.09 -1.08 0.00 0.00 178.44 178.67 1i7u h ARG 82 N 0.36 0.94 -0.06 1.13 2.43 -1.22 -0.64 114.38 117.32 1i7u h ARG 82 Ca 0.02 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1i7u h ARG 82 Cb 0.95 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1i7u h ARG 82 CO 0.08 0.62 -0.06 0.78 -1.51 0.00 0.00 179.97 179.88 1i7u h GLY 83 N 0.96 0.16 0.31 2.80 0.00 -1.11 -0.10 103.07 106.09 1i7u h GLY 83 Ca 0.36 -0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.68 1i7u h GLY 83 CO -0.12 0.15 0.62 -0.97 0.00 0.00 0.00 176.54 176.21 1i7u h TYR 84 N -0.30 1.08 -0.21 5.60 0.05 -0.44 -1.05 116.97 121.70 1i7u h TYR 84 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1i7u h TYR 84 Cb 0.57 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1i7u h TYR 84 CO 0.09 0.34 0.00 0.66 -1.05 0.00 0.00 178.16 178.20 1i7u n TYR 85 N -4.68 0.26 -3.77 4.88 4.01 -0.32 -4.89 117.16 112.65 1i7u n TYR 85 Ca 0.21 -0.13 -0.30 0.00 -0.16 0.00 0.00 57.90 57.53 1i7u n TYR 85 Cb 0.47 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.19 -3.61 -4.89 7.72 5.15 -0.20 -4.99 115.26 115.62 1i7u n ASN 86 Ca 0.17 -1.01 -0.23 0.00 -0.60 0.00 0.00 54.58 52.92 1i7u n ASN 86 Cb 0.55 -3.30 -0.03 0.00 -0.53 0.00 0.00 39.78 36.46 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 -6.17 3.17 0.68 1.20 -0.21 -0.31 -5.04 119.66 112.98 1i7u s GLN 87 Ca 0.31 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.69 1i7u s GLN 87 Cb -0.11 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.16 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 -3.71 5.18 0.00 5.90 1.04 -1.26 -4.82 113.70 116.03 1i7u s SER 88 Ca 0.33 1.85 0.31 0.00 0.48 0.00 0.00 55.95 58.92 1i7u s SER 88 Cb -0.09 -2.53 1.71 0.00 0.10 0.00 0.00 66.02 65.21 1i7u s SER 88 CO 0.27 -1.58 2.13 -0.62 0.98 0.00 0.00 173.24 174.42 1i7u n GLU 89 N -2.71 0.80 0.06 4.02 1.02 -1.26 -3.82 120.64 118.76 1i7u n GLU 89 Ca 0.09 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 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 3.79 0.30 -2.27 0.62 0.00 -1.98 -3.44 119.26 116.29 1i7u h ALA 90 Ca 0.00 -1.04 -0.49 0.00 0.00 0.00 0.00 54.91 53.39 1i7u h ALA 90 Cb 0.13 0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.08 1i7u h ALA 90 CO 0.00 1.18 0.39 0.20 0.00 0.00 0.00 179.25 181.01 1i7u s GLY 91 N -4.83 1.95 -0.09 0.00 0.00 -1.25 -4.64 107.32 98.47 1i7u s GLY 91 Ca -0.04 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.68 1i7u s GLY 91 CO 0.85 0.43 0.37 -0.45 0.00 0.00 0.00 173.10 174.30 1i7u s SER 92 N -3.33 6.63 0.23 1.64 0.15 -1.26 -4.68 113.70 113.07 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 0.39 0.19 -0.02 -1.00 1.20 0.00 0.00 173.24 174.00 1i7u s HIS 93 N -0.21 1.57 -0.07 3.44 3.76 -1.26 -4.95 115.29 117.57 1i7u s HIS 93 Ca 0.21 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.27 1i7u s HIS 93 Cb -0.15 -0.89 0.01 0.00 1.11 0.00 0.00 32.58 32.66 1i7u s HIS 93 CO 0.09 0.01 -0.14 0.99 -0.85 0.00 0.00 174.74 174.84 1i7u s THR 94 N -3.36 1.25 -0.11 1.30 2.01 -1.26 -1.64 115.64 113.83 1i7u s THR 94 Ca 0.27 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1i7u s THR 94 Cb 0.05 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1i7u s THR 94 CO 0.08 0.38 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.53 1i7u s VAL 95 N 0.64 2.69 0.05 3.82 1.01 -0.23 -0.31 120.40 128.07 1i7u s VAL 95 Ca -0.15 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1i7u s VAL 95 Cb -0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1i7u s VAL 95 CO 0.04 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.38 1i7u s GLN 96 N 0.22 1.35 -0.02 2.72 -0.21 -0.39 -0.81 119.66 122.52 1i7u s GLN 96 Ca -0.11 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.30 1i7u s GLN 96 Cb -0.16 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.39 1i7u s GLN 96 CO 0.06 0.37 0.09 0.50 -2.12 0.00 0.00 175.29 174.19 1i7u s ARG 97 N -1.20 0.23 -0.08 2.91 3.52 -0.39 -1.35 118.95 122.59 1i7u s ARG 97 Ca 0.07 -0.08 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 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 0.21 1.41 -0.81 0.00 0.00 175.30 176.08 1i7u s MET 98 N -0.47 0.23 0.06 5.12 1.75 -0.56 -0.57 119.30 124.86 1i7u s MET 98 Ca -0.05 0.32 -0.15 0.00 -1.25 0.00 0.00 55.69 54.56 1i7u s MET 98 Cb -0.04 0.07 0.03 0.00 2.84 0.00 0.00 34.83 37.73 1i7u s MET 98 CO 0.00 -0.05 0.35 1.52 -0.65 0.00 0.00 175.02 176.19 1i7u s TYR 99 N 0.31 -0.15 -3.19 4.11 -0.85 -1.01 -1.23 117.35 115.33 1i7u s TYR 99 Ca -0.02 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1i7u s TYR 99 Cb -0.03 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.46 1i7u s TYR 99 CO -0.01 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 1i7u n GLY 100 N 0.38 -1.49 3.07 5.49 0.00 -0.67 -1.28 105.19 110.68 1i7u n GLY 100 Ca -0.18 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.28 3.78 0.01 0.00 1.01 0.14 -1.79 116.67 117.54 1i7u s ASP 102 Ca -0.02 -0.37 0.04 0.00 0.71 0.00 0.00 52.55 52.92 1i7u s ASP 102 Cb -0.01 -0.65 -0.02 0.00 1.01 0.00 0.00 42.92 43.26 1i7u s ASP 102 CO -0.04 0.29 -0.14 0.54 0.21 0.00 0.00 175.17 176.03 1i7u s VAL 103 N -0.84 1.08 0.32 -1.27 0.11 0.38 -0.67 120.40 119.50 1i7u s VAL 103 Ca 0.13 -0.76 -0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1i7u s VAL 103 Cb -0.10 -0.94 0.07 0.00 -1.53 0.00 0.00 36.38 33.88 1i7u s VAL 103 CO 0.03 0.17 0.43 0.61 -3.33 0.00 0.00 175.10 173.02 1i7u n GLY 104 N 2.38 -1.27 0.32 6.54 0.00 -0.84 -1.16 105.19 111.16 1i7u n GLY 104 Ca -0.16 -1.68 0.21 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.58 0.00 -0.20 1.61 4.64 -1.92 0.96 113.55 118.06 1i7u h SER 105 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1i7u h SER 105 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1i7u h SER 105 CO 0.10 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.17 1i7u n ASP 106 N -3.16 1.77 -0.81 4.97 5.75 -1.26 -4.66 116.55 119.16 1i7u n ASP 106 Ca -0.02 -1.75 -0.11 0.00 -0.01 0.00 0.00 54.79 52.90 1i7u n ASP 106 Cb 0.14 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.40 0.00 -4.01 2.11 7.02 0.33 -5.00 117.44 118.28 1i7u n TRP 107 Ca 0.16 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.35 1i7u n TRP 107 Cb 0.34 -2.27 -0.05 0.00 -2.42 0.00 0.00 31.31 26.91 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 -2.72 3.10 0.13 -0.99 0.52 -1.26 -4.81 118.95 112.92 1i7u s ARG 108 Ca 0.00 -0.67 -0.34 0.00 -0.52 0.00 0.00 55.73 54.19 1i7u s ARG 108 Cb 0.00 -2.81 -0.17 0.00 0.52 0.00 0.00 34.95 32.49 1i7u s ARG 108 CO 0.00 0.54 1.13 0.34 0.02 0.00 0.00 175.30 177.33 1i7u n PHE 109 N 0.01 1.07 -0.00 -0.53 7.35 -1.26 -1.99 117.46 122.11 1i7u n PHE 109 Ca -0.07 0.76 -0.01 0.00 -0.76 0.00 0.00 57.45 57.37 1i7u n PHE 109 Cb 0.53 -2.23 -0.00 0.00 0.35 0.00 0.00 39.48 38.13 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 2.03 0.60 -3.56 -2.13 0.00 0.15 -4.79 117.00 109.29 1i7u n LEU 110 Ca 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 56.01 56.07 1i7u n LEU 110 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 43.42 43.56 1i7u n LEU 110 CO 0.61 0.11 0.25 -0.13 0.00 0.00 0.00 177.39 178.22 1i7u s ARG 111 N -2.01 1.13 0.06 1.96 0.52 -1.17 -4.99 118.95 114.44 1i7u s ARG 111 Ca -0.01 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1i7u s ARG 111 Cb 0.00 0.51 -0.03 0.00 0.52 0.00 0.00 34.95 35.95 1i7u s ARG 111 CO 0.01 -0.45 -0.08 0.20 0.02 0.00 0.00 175.30 175.00 1i7u s GLY 112 N -2.68 0.59 0.03 -3.53 0.00 -1.26 -0.68 107.32 99.79 1i7u s GLY 112 Ca 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1i7u s GLY 112 CO -0.11 -0.99 -0.05 -0.19 0.00 0.00 0.00 173.10 171.75 1i7u s TYR 113 N -1.95 0.49 -0.29 1.90 1.51 -0.33 -4.91 117.35 113.75 1i7u s TYR 113 Ca -0.04 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1i7u s TYR 113 Cb -0.06 -0.31 0.19 0.00 -0.11 0.00 0.00 41.96 41.67 1i7u s TYR 113 CO -0.01 -0.15 0.79 -1.58 -1.11 0.00 0.00 175.55 173.49 1i7u s HIS 114 N -1.64 -1.25 0.09 2.71 2.46 -1.25 -1.67 115.29 114.74 1i7u s HIS 114 Ca -0.11 0.74 -0.05 0.00 0.47 0.00 0.00 55.06 56.11 1i7u s HIS 114 Cb -0.08 0.22 -0.02 0.00 -0.13 0.00 0.00 32.58 32.56 1i7u s HIS 114 CO -0.01 -0.73 0.11 1.14 -2.47 0.00 0.00 174.74 172.78 1i7u s GLN 115 N 2.89 0.80 0.15 2.88 -2.07 -0.37 -1.37 119.66 122.57 1i7u s GLN 115 Ca 0.18 -1.12 0.05 0.00 -1.82 0.00 0.00 55.36 52.64 1i7u s GLN 115 Cb -0.06 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1i7u s GLN 115 CO -0.25 -0.22 -0.11 0.71 -1.32 0.00 0.00 175.29 174.10 1i7u s TYR 116 N -3.91 1.29 -0.01 9.60 1.51 0.48 -1.49 117.35 124.81 1i7u s TYR 116 Ca 0.09 -0.73 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1i7u s TYR 116 Cb 0.06 -0.65 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1i7u s TYR 116 CO -0.08 0.10 0.04 0.00 -1.11 0.00 0.00 175.55 174.50 1i7u s ALA 117 N -3.21 -0.11 -0.16 3.71 0.00 -0.46 -1.02 121.76 120.51 1i7u s ALA 117 Ca 0.16 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1i7u s ALA 117 Cb 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1i7u s ALA 117 CO 0.01 -0.03 -0.18 -0.47 0.00 0.00 0.00 175.76 175.09 1i7u s TYR 118 N -0.08 2.76 -1.53 0.00 5.04 0.10 -1.26 117.35 122.38 1i7u s TYR 118 Ca -0.01 -1.26 -0.09 0.00 -2.44 0.00 0.00 57.07 53.27 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 -0.60 0.67 -0.25 -1.34 0.00 0.00 175.55 174.03 1i7u n ASP 119 N 4.24 -2.23 0.00 4.32 8.00 0.57 -1.51 116.55 129.95 1i7u n ASP 119 Ca -0.20 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1i7u n ASP 119 Cb 0.51 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 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 -1.70 1.65 3.66 0.44 0.00 -1.26 -5.02 105.19 102.96 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 -0.00 3.04 0.19 1.61 1.02 -0.57 -5.06 119.74 119.97 1i7u s LYS 121 Ca 0.00 -0.42 -0.33 0.00 0.02 0.00 0.00 55.97 55.24 1i7u s LYS 121 Cb 0.00 -2.80 -0.15 0.00 -0.52 0.00 0.00 37.83 34.37 1i7u s LYS 121 CO 0.00 0.66 1.33 -0.25 -0.92 0.00 0.00 175.35 176.17 1i7u n ASP 122 N 2.28 2.19 -0.00 2.83 8.00 -1.26 -0.72 116.55 129.86 1i7u n ASP 122 Ca -0.18 1.13 -0.03 0.00 0.71 0.00 0.00 54.79 56.42 1i7u n ASP 122 Cb 0.53 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.30 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 2.00 0.00 -3.77 1.24 9.36 -0.19 -4.75 117.16 121.05 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 0.27 -0.16 -0.09 0.00 -0.63 0.00 0.00 39.34 38.73 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 -2.12 0.05 -0.12 2.97 2.07 -1.20 -3.96 121.20 118.89 1i7u s ILE 124 Ca -0.09 -0.38 -0.16 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 42.08 1i7u s ILE 124 CO 0.14 -0.21 0.43 0.00 -1.91 0.00 0.00 174.94 173.39 1i7u s ALA 125 N -0.99 -1.07 0.14 1.50 0.00 -0.91 -0.38 121.76 120.05 1i7u s ALA 125 Ca -0.11 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1i7u s ALA 125 Cb -0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 1i7u s ALA 125 CO 0.03 -0.23 1.13 -1.17 0.00 0.00 0.00 175.76 175.52 1i7u s LEU 126 N -0.26 4.45 0.84 0.00 2.96 -0.47 -0.88 118.68 125.32 1i7u s LEU 126 Ca -0.04 2.07 -0.12 0.00 -0.22 0.00 0.00 54.13 55.82 1i7u s LEU 126 Cb -0.03 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 43.16 1i7u s LEU 126 CO 0.02 -0.31 1.17 -0.54 -1.32 0.00 0.00 176.35 175.38 1i7u s LYS 127 N 0.08 1.69 0.55 1.98 1.02 -0.19 -4.73 119.74 120.14 1i7u s LYS 127 Ca 0.52 0.14 0.23 0.00 0.02 0.00 0.00 55.97 56.88 1i7u s LYS 127 Cb -0.29 -1.92 1.54 0.00 -0.52 0.00 0.00 37.83 36.64 1i7u s LYS 127 CO 0.33 -1.79 2.20 1.49 -0.92 0.00 0.00 175.35 176.66 1i7u h GLU 128 N -1.20 0.00 0.00 1.68 4.81 -1.91 -1.51 114.58 116.45 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 0.64 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1i7u n ASP 129 N -4.18 0.00 -1.78 1.04 5.68 -1.26 -4.86 116.55 111.19 1i7u n ASP 129 Ca -0.03 -0.42 -0.18 0.00 -0.50 0.00 0.00 54.79 53.66 1i7u n ASP 129 Cb 0.09 -0.13 -0.06 0.00 -1.14 0.00 0.00 41.12 39.89 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 -1.13 -1.41 0.00 -2.12 4.77 -0.57 -4.75 117.00 111.80 1i7u n LEU 130 Ca 0.15 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1i7u n LEU 130 Cb 0.12 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1i7u n LEU 130 CO 0.15 -0.72 -0.27 0.54 -1.33 0.00 0.00 177.39 175.76 1i7u n ARG 131 N -2.40 2.54 -4.55 3.23 1.74 -1.26 -4.72 116.66 111.24 1i7u n ARG 131 Ca -0.19 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.63 1i7u n ARG 131 Cb 0.61 -0.77 -0.11 0.00 -1.02 0.00 0.00 32.46 31.17 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 -1.44 3.63 0.08 0.55 1.04 -1.26 -4.90 113.70 111.39 1i7u s SER 132 Ca 0.00 -1.24 0.09 0.00 0.48 0.00 0.00 55.95 55.28 1i7u s SER 132 Cb 0.00 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 1i7u s SER 132 CO 0.00 -0.28 -0.24 0.26 0.98 0.00 0.00 173.24 173.96 1i7u s TRP 133 N -2.69 2.39 -0.23 5.02 0.52 -1.26 -1.03 118.94 121.66 1i7u s TRP 133 Ca 0.33 -0.35 -0.07 0.00 0.02 0.00 0.00 56.10 56.03 1i7u s TRP 133 Cb 0.04 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.98 1i7u s TRP 133 CO 0.16 0.25 0.05 0.99 0.02 0.00 0.00 176.95 178.42 1i7u s THR 134 N -0.95 4.18 -0.09 2.01 2.01 -0.06 -4.92 115.64 117.81 1i7u s THR 134 Ca 0.14 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 1i7u s THR 134 Cb -0.10 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.50 1i7u s THR 134 CO 0.05 0.37 -0.06 0.00 -0.69 0.00 0.00 174.62 174.29 1i7u s ALA 135 N 1.40 1.12 -0.02 7.40 0.00 -1.26 -2.14 121.76 128.25 1i7u s ALA 135 Ca 0.05 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1i7u s ALA 135 Cb -0.15 -0.79 -0.33 0.00 0.00 0.00 0.00 23.12 21.86 1i7u s ALA 135 CO 0.02 -0.32 0.90 0.00 0.00 0.00 0.00 175.76 176.37 1i7u h ALA 136 N 7.97 -0.09 -0.61 0.00 0.00 -1.89 -3.45 119.26 121.18 1i7u h ALA 136 Ca -0.28 -0.80 -0.62 0.00 0.00 0.00 0.00 54.91 53.20 1i7u h ALA 136 Cb 1.14 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1i7u h ALA 136 CO 0.39 0.55 -0.41 0.16 0.00 0.00 0.00 179.25 179.93 1i7u s ASP 137 N -7.22 4.40 0.21 0.00 1.47 -1.26 -5.02 116.67 109.25 1i7u s ASP 137 Ca -0.12 -1.39 -0.09 0.00 1.18 0.00 0.00 52.55 52.13 1i7u s ASP 137 Cb 0.02 0.35 0.28 0.00 -0.34 0.00 0.00 42.92 43.24 1i7u s ASP 137 CO 0.87 -0.93 1.77 0.24 0.68 0.00 0.00 175.17 177.80 1i7u h MET 138 N 1.08 0.52 0.08 2.11 2.86 -1.99 -1.56 114.93 118.02 1i7u h MET 138 Ca -0.40 -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 32.85 1i7u h MET 138 CO 0.66 0.34 -0.04 0.00 1.06 0.00 0.00 176.91 178.93 1i7u h ALA 139 N 1.40 -0.11 -0.95 6.32 0.00 -1.96 -2.26 119.26 121.70 1i7u h ALA 139 Ca 0.32 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.33 1i7u h ALA 139 Cb 0.33 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1i7u h ALA 139 CO -0.26 -0.56 0.60 0.00 0.00 0.00 0.00 179.25 179.03 1i7u h ALA 140 N 0.81 1.65 0.00 0.00 0.00 -1.74 0.05 119.26 120.04 1i7u h ALA 140 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1i7u h ALA 140 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1i7u h ALA 140 CO 0.02 0.11 -0.18 1.96 0.00 0.00 0.00 179.25 181.16 1i7u h GLN 141 N 0.87 0.00 -0.42 0.00 4.20 -0.73 0.59 115.11 119.62 1i7u h GLN 141 Ca 0.47 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 59.07 1i7u h GLN 141 Cb 0.57 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1i7u h GLN 141 CO -0.24 0.18 -0.16 1.15 -0.67 0.00 0.00 178.83 179.10 1i7u h THR 142 N 0.00 1.28 -0.40 -0.54 2.02 -0.60 -0.85 112.91 113.82 1i7u h THR 142 Ca -0.00 -1.28 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 1i7u h THR 142 Cb 0.33 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1i7u h THR 142 CO 0.02 0.43 -0.09 0.74 0.37 0.00 0.00 175.52 177.00 1i7u h THR 143 N 0.67 1.27 -0.75 3.16 2.02 -1.19 -2.50 112.91 115.60 1i7u h THR 143 Ca 0.10 -1.17 0.08 0.00 0.77 0.00 0.00 66.41 66.19 1i7u h THR 143 Cb 0.71 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 1i7u h THR 143 CO 0.05 0.39 0.41 0.50 0.37 0.00 0.00 175.52 177.24 1i7u h LYS 144 N 0.58 0.69 -0.51 6.66 3.64 -0.68 -1.11 116.57 125.84 1i7u h LYS 144 Ca 0.10 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1i7u h LYS 144 Cb 0.61 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1i7u h LYS 144 CO 0.04 0.46 0.01 0.45 -2.27 0.00 0.00 179.45 178.13 1i7u h HIS 145 N 0.71 0.97 -0.60 1.91 3.86 -1.00 -1.59 115.15 119.41 1i7u h HIS 145 Ca 0.36 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1i7u h HIS 145 Cb 0.31 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1i7u h HIS 145 CO -0.08 0.90 0.39 0.87 0.86 0.00 0.00 177.93 180.87 1i7u h LYS 146 N 0.75 0.77 0.00 2.45 1.57 -0.94 -1.92 116.57 119.25 1i7u h LYS 146 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1i7u h LYS 146 Cb 0.51 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1i7u h LYS 146 CO 0.02 0.51 -0.45 -1.49 -0.57 0.00 0.00 179.45 177.48 1i7u h TRP 147 N 0.79 0.00 -0.24 -1.35 4.06 -1.07 -1.65 115.95 116.49 1i7u h TRP 147 Ca 0.22 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 61.00 1i7u h TRP 147 Cb -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1i7u h TRP 147 CO -0.04 0.45 -0.52 0.93 -3.56 0.00 0.00 178.44 175.70 1i7u h GLU 148 N 0.00 0.77 -0.04 0.49 5.08 -0.89 -1.27 114.58 118.72 1i7u h GLU 148 Ca -0.00 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 1i7u h GLU 148 Cb 0.82 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1i7u h GLU 148 CO 0.06 1.14 -0.38 0.00 -1.00 0.00 0.00 179.01 178.83 1i7u h ALA 149 N 0.63 1.31 -0.19 3.43 0.00 -1.19 -2.54 119.26 120.72 1i7u h ALA 149 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1i7u h ALA 149 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1i7u h ALA 149 CO 0.11 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1i7u n ALA 150 N -2.47 2.50 -3.89 0.00 0.00 -0.64 -4.95 120.51 111.06 1i7u n ALA 150 Ca -0.02 -0.65 -0.25 0.00 0.00 0.00 0.00 53.44 52.52 1i7u n ALA 150 Cb 0.42 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.71 -1.79 -0.13 0.00 -0.00 -0.70 -4.89 115.22 108.41 1i7u n HIS 151 Ca 0.17 0.79 -0.11 0.00 -0.00 0.00 0.00 57.72 58.57 1i7u n HIS 151 Cb 0.43 -3.92 -0.02 0.00 -0.00 0.00 0.00 29.99 26.48 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 -1.85 1.28 -1.00 1.59 2.07 -1.54 -3.18 116.25 113.62 1i7u h VAL 152 Ca -0.62 -1.25 0.12 0.00 0.82 0.00 0.00 66.70 65.77 1i7u h VAL 152 Cb 1.37 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 1i7u h VAL 152 CO 0.62 0.42 0.63 0.00 0.02 0.00 0.00 177.57 179.26 1i7u h ALA 153 N 0.82 1.50 -0.32 1.67 0.00 -1.90 -0.32 119.26 120.72 1i7u h ALA 153 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1i7u h ALA 153 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1i7u h ALA 153 CO 0.05 0.24 0.06 0.93 0.00 0.00 0.00 179.25 180.53 1i7u h GLU 154 N 1.00 0.51 -0.50 0.00 3.07 -1.84 0.12 114.58 116.95 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 0.47 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1i7u h GLU 154 CO -0.26 0.59 0.13 1.96 -1.40 0.00 0.00 179.01 180.03 1i7u h GLN 155 N 0.35 0.79 -0.75 2.33 4.20 -1.47 -2.76 115.11 117.80 1i7u h GLN 155 Ca 0.10 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1i7u h GLN 155 Cb 0.32 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1i7u h GLN 155 CO 0.00 0.76 0.43 1.25 -0.67 0.00 0.00 178.83 180.61 1i7u h LEU 156 N 0.68 0.91 -1.07 1.46 5.85 -0.91 -2.74 115.31 119.49 1i7u h LEU 156 Ca 0.16 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1i7u h LEU 156 Cb 0.32 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1i7u h LEU 156 CO -0.00 0.72 0.63 -0.09 -0.34 0.00 0.00 178.44 179.36 1i7u h ARG 157 N 1.02 1.20 -0.32 1.25 2.43 -0.53 -0.35 114.38 119.09 1i7u h ARG 157 Ca 0.27 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1i7u h ARG 157 Cb -0.01 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 1i7u h ARG 157 CO -0.05 0.79 -0.02 0.00 -1.51 0.00 0.00 179.97 179.19 1i7u h ALA 158 N 1.43 1.38 -0.02 2.80 0.00 -1.22 -1.47 119.26 122.17 1i7u h ALA 158 Ca 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1i7u h ALA 158 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1i7u h ALA 158 CO -0.10 0.43 -0.06 -0.92 0.00 0.00 0.00 179.25 178.60 1i7u h TYR 159 N 0.47 0.09 -0.85 0.00 3.20 -1.11 -2.03 116.97 116.74 1i7u h TYR 159 Ca 0.10 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1i7u h TYR 159 Cb 0.34 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1i7u h TYR 159 CO 0.01 0.69 0.48 -0.07 -1.64 0.00 0.00 178.16 177.63 1i7u h LEU 160 N -0.54 1.06 0.00 2.82 3.38 -0.91 0.27 115.31 121.39 1i7u h LEU 160 Ca -0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1i7u h LEU 160 Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1i7u h LEU 160 CO 0.01 0.84 -0.97 -0.33 0.09 0.00 0.00 178.44 178.09 1i7u h GLU 161 N 1.19 0.00 0.00 1.13 5.08 -1.39 -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 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1i7u h GLU 161 CO -0.05 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1i7u n GLY 162 N 1.25 0.09 0.34 -3.84 0.00 -0.76 -4.63 105.19 97.64 1i7u n GLY 162 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 0.12 -0.18 2.61 2.02 -1.55 -0.48 112.91 115.45 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 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.49 1i7u h THR 163 CO 0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1i7u h VAL 165 N -0.06 1.27 -0.34 0.00 2.07 -1.55 -1.98 116.25 115.66 1i7u h VAL 165 Ca 0.10 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1i7u h VAL 165 Cb 0.20 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1i7u h VAL 165 CO -0.22 0.45 0.20 -0.33 0.02 0.00 0.00 177.57 177.69 1i7u h GLU 166 N 0.67 0.46 -0.34 1.57 5.08 -0.75 -0.96 114.58 120.30 1i7u h GLU 166 Ca 0.09 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1i7u h GLU 166 Cb 0.75 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1i7u h GLU 166 CO 0.06 0.36 -0.34 -1.49 -1.00 0.00 0.00 179.01 176.60 1i7u h TRP 167 N 0.43 0.91 -0.40 4.33 4.06 -1.22 -2.04 115.95 122.02 1i7u h TRP 167 Ca 0.12 -0.25 0.02 0.00 2.06 0.00 0.00 58.89 60.85 1i7u h TRP 167 Cb 0.02 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 1i7u h TRP 167 CO -0.04 1.00 0.22 1.25 -3.56 0.00 0.00 178.44 177.31 1i7u h LEU 168 N 0.65 0.34 -0.75 -4.49 5.85 -1.11 0.69 115.31 116.48 1i7u h LEU 168 Ca 0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1i7u h LEU 168 Cb 0.88 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1i7u h LEU 168 CO 0.08 0.24 0.44 0.03 -0.34 0.00 0.00 178.44 178.89 1i7u h ARG 169 N 0.44 1.02 -0.27 1.25 3.08 -1.03 -0.50 114.38 118.36 1i7u h ARG 169 Ca 0.16 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1i7u h ARG 169 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1i7u h ARG 169 CO -0.09 0.73 0.17 -0.09 -1.07 0.00 0.00 179.97 179.62 1i7u h ARG 170 N 1.02 0.36 -0.83 0.04 2.43 -0.68 -1.93 114.38 114.78 1i7u h ARG 170 Ca 0.27 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1i7u h ARG 170 Cb -0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1i7u h ARG 170 CO -0.05 0.25 0.38 1.88 -1.51 0.00 0.00 179.97 180.92 1i7u h TYR 171 N 0.36 1.21 -0.83 2.20 0.05 -0.53 -0.15 116.97 119.29 1i7u h TYR 171 Ca 0.10 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1i7u h TYR 171 Cb -0.02 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.30 1i7u h TYR 171 CO -0.05 0.89 0.49 -0.07 -1.05 0.00 0.00 178.16 178.36 1i7u h LEU 172 N 1.19 1.00 0.05 3.88 3.38 -0.82 0.20 115.31 124.19 1i7u h LEU 172 Ca 0.28 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1i7u h LEU 172 Cb 0.15 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1i7u h LEU 172 CO -0.03 0.77 -0.70 1.05 0.09 0.00 0.00 178.44 179.62 1i7u h GLU 173 N 1.14 0.38 -0.11 1.13 4.11 -0.94 -2.09 114.58 118.21 1i7u h GLU 173 Ca 0.30 -0.48 -0.07 0.00 0.07 0.00 0.00 59.36 59.17 1i7u h GLU 173 Cb -0.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1i7u h GLU 173 CO -0.05 1.16 -0.26 -0.91 0.07 0.00 0.00 179.01 179.01 1i7u h ASN 174 N -0.17 0.18 -0.49 3.06 2.35 -0.91 -3.02 115.58 116.58 1i7u h ASN 174 Ca -0.10 -0.05 -0.33 0.00 -0.55 0.00 0.00 56.30 55.27 1i7u h ASN 174 Cb 1.45 -0.05 -0.22 0.00 0.05 0.00 0.00 38.32 39.55 1i7u h ASN 174 CO 0.14 0.46 -0.30 0.61 -1.65 0.00 0.00 177.43 176.68 1i7u n GLY 175 N -0.59 5.56 0.35 2.83 0.00 0.05 -4.80 105.19 108.59 1i7u n GLY 175 Ca -0.01 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.29 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 1.50 0.39 -0.08 1.61 2.10 -1.24 0.54 116.57 121.39 1i7u h LYS 176 Ca 0.28 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.93 1i7u h LYS 176 Cb 1.42 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1i7u h LYS 176 CO 0.58 0.26 0.06 0.93 -2.00 0.00 0.00 179.45 179.28 1i7u h GLU 177 N 0.41 0.00 0.00 0.07 5.08 -1.87 -1.32 114.58 116.95 1i7u h GLU 177 Ca 0.28 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 1i7u h GLU 177 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1i7u h GLU 177 CO -0.08 0.00 -1.73 0.25 -1.00 0.00 0.00 179.01 176.46 1i7u n THR 178 N -4.40 0.73 0.08 1.13 -2.24 -0.82 -4.48 114.28 104.28 1i7u n THR 178 Ca -0.01 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1i7u n THR 178 Cb 0.17 -0.99 0.04 0.00 -2.10 0.00 0.00 70.33 67.46 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 0.30 -3.26 3.22 3.38 -0.96 -3.23 115.31 114.72 1i7u h LEU 179 Ca -0.29 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1i7u h LEU 179 Cb 1.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1i7u h LEU 179 CO -0.05 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.43 1i7u n GLN 180 N -3.77 4.36 -3.79 1.13 6.02 -0.50 -4.95 117.38 115.89 1i7u n GLN 180 Ca -0.03 -2.87 -0.24 0.00 -0.01 0.00 0.00 57.00 53.84 1i7u n GLN 180 Cb 0.72 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.43 2.32 -0.07 -1.09 3.52 -1.22 -4.99 118.95 114.99 1i7u s ARG 181 Ca 0.50 -1.86 -0.06 0.00 -0.13 0.00 0.00 55.73 54.18 1i7u s ARG 181 Cb 0.37 -2.18 0.02 0.00 -1.56 0.00 0.00 34.95 31.60 1i7u s ARG 181 CO 0.17 -0.47 0.19 0.95 -0.81 0.00 0.00 175.30 175.33 1i7u s THR 182 N -2.67 -0.01 -0.31 4.11 -4.23 -1.26 -4.73 115.64 106.53 1i7u s THR 182 Ca 0.40 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1i7u s THR 182 Cb -0.02 -0.28 0.04 0.00 1.34 0.00 0.00 72.50 73.59 1i7u s THR 182 CO 0.24 0.02 0.04 -1.81 -0.54 0.00 0.00 174.62 172.57 1i7u s ASP 183 N 0.39 5.04 0.50 3.99 1.01 0.10 -4.94 116.67 122.75 1i7u s ASP 183 Ca -0.02 -1.16 -0.21 0.00 0.71 0.00 0.00 52.55 51.86 1i7u s ASP 183 Cb -0.04 -1.78 -0.06 0.00 1.01 0.00 0.00 42.92 42.05 1i7u s ASP 183 CO -0.02 -0.27 1.18 0.00 0.21 0.00 0.00 175.17 176.26 1i7u s ALA 184 N 1.33 2.84 0.42 5.23 0.00 -1.26 -1.44 121.76 128.88 1i7u s ALA 184 Ca -0.03 0.94 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 1i7u s ALA 184 Cb -0.19 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1i7u s ALA 184 CO 0.00 -0.79 1.21 -1.25 0.00 0.00 0.00 175.76 174.93 1i7u s PRO 185 N -2.93 3.93 -0.23 0.00 0.04 -1.26 -4.57 135.00 129.98 1i7u s PRO 185 Ca 0.68 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 1i7u s PRO 185 Cb -0.28 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 1i7u s PRO 185 CO 0.33 -0.44 0.26 0.15 0.04 0.00 0.00 177.00 177.34 1i7u s LYS 186 N -2.39 4.10 0.23 4.56 3.01 0.01 -4.84 119.74 124.42 1i7u s LYS 186 Ca 0.59 -0.08 0.10 0.00 -1.01 0.00 0.00 55.97 55.57 1i7u s LYS 186 Cb -0.32 -3.55 -0.04 0.00 -1.01 0.00 0.00 37.83 32.90 1i7u s LYS 186 CO 0.41 -0.00 -0.10 0.95 0.51 0.00 0.00 175.35 177.12 1i7u s THR 187 N 1.23 3.06 0.00 2.17 -4.23 -1.26 -0.93 115.64 115.69 1i7u s THR 187 Ca 0.12 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 1i7u s THR 187 Cb -0.14 -2.58 0.10 0.00 1.34 0.00 0.00 72.50 71.22 1i7u s THR 187 CO 0.06 -0.27 1.05 -1.38 -0.54 0.00 0.00 174.62 173.54 1i7u s HIS 188 N -2.11 -0.18 0.17 3.99 -3.43 -1.13 -5.01 115.29 107.60 1i7u s HIS 188 Ca 0.28 0.02 0.09 0.00 -0.80 0.00 0.00 55.06 54.65 1i7u s HIS 188 Cb -0.07 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 1i7u s HIS 188 CO 0.16 -0.51 -0.19 -1.64 -2.00 0.00 0.00 174.74 170.56 1i7u s MET 189 N -2.91 1.33 0.12 -0.38 -1.94 -1.26 -0.55 119.30 113.71 1i7u s MET 189 Ca 0.10 -1.44 0.07 0.00 -1.71 0.00 0.00 55.69 52.71 1i7u s MET 189 Cb 0.00 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.37 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 -2.01 1.57 -0.07 2.05 -4.23 -0.55 -4.97 115.64 107.43 1i7u s THR 190 Ca 0.17 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1i7u s THR 190 Cb -0.06 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.26 1i7u s THR 190 CO 0.07 -0.21 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.59 1i7u s HIS 191 N -1.57 1.19 -0.04 3.99 2.46 -1.26 -1.65 115.29 118.41 1i7u s HIS 191 Ca 0.08 -0.46 -0.01 0.00 0.47 0.00 0.00 55.06 55.13 1i7u s HIS 191 Cb -0.08 -0.98 0.03 0.00 -0.13 0.00 0.00 32.58 31.42 1i7u s HIS 191 CO 0.04 -0.32 0.04 -1.58 -2.47 0.00 0.00 174.74 170.45 1i7u s HIS 192 N 1.16 0.12 -0.05 3.88 5.04 -0.64 -4.97 115.29 119.82 1i7u s HIS 192 Ca -0.06 0.18 -0.30 0.00 -1.54 0.00 0.00 55.06 53.33 1i7u s HIS 192 Cb -0.14 -0.44 -0.04 0.00 0.04 0.00 0.00 32.58 32.00 1i7u s HIS 192 CO -0.02 -0.17 1.29 0.00 -2.34 0.00 0.00 174.74 173.50 1i7u s ALA 193 N 1.79 3.54 -0.42 1.58 0.00 -1.26 -0.12 121.76 126.87 1i7u s ALA 193 Ca 0.00 0.70 0.22 0.00 0.00 0.00 0.00 51.96 52.89 1i7u s ALA 193 Cb -0.12 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 1i7u s ALA 193 CO -0.03 -0.87 0.82 1.33 0.00 0.00 0.00 175.76 177.01 1i7u n VAL 194 N 4.72 0.14 -2.37 0.00 0.24 -0.59 -4.93 118.33 115.54 1i7u n VAL 194 Ca 0.12 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1i7u n VAL 194 Cb 0.45 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.08 0.00 -0.78 -1.34 3.41 -1.11 -5.00 113.62 106.72 1i7u n SER 195 Ca -0.00 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.36 1i7u n SER 195 Cb 0.48 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.37 2.35 -0.18 4.04 5.75 -1.26 -4.17 116.55 122.71 1i7u n ASP 196 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1i7u n ASP 196 Cb 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.78 0.00 -3.75 2.11 1.44 -1.26 -4.94 115.22 109.60 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 0.44 0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.47 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 0.45 0.01 -1.40 2.12 -1.26 -1.78 118.70 116.83 1i7u s GLU 198 Ca 0.00 0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 1i7u s GLU 198 Cb 0.00 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1i7u s GLU 198 CO 0.00 -0.06 0.07 0.00 -0.54 0.00 0.00 175.26 174.72 1i7u s ALA 199 N 0.06 -0.14 -0.19 6.30 0.00 0.25 -1.54 121.76 126.52 1i7u s ALA 199 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 1i7u s ALA 199 Cb -0.03 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1i7u s ALA 199 CO 0.01 -0.19 0.29 0.99 0.00 0.00 0.00 175.76 176.86 1i7u s THR 200 N -1.40 5.29 -0.21 0.00 2.01 0.83 0.62 115.64 122.78 1i7u s THR 200 Ca -0.15 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1i7u s THR 200 Cb -0.09 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1i7u s THR 200 CO 0.00 0.35 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.52 1i7u s LEU 201 N 0.79 3.16 -0.12 4.42 1.02 -0.25 -1.62 118.68 126.07 1i7u s LEU 201 Ca 0.15 -0.26 0.03 0.00 0.02 0.00 0.00 54.13 54.07 1i7u s LEU 201 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.27 1i7u s LEU 201 CO 0.05 0.03 -0.22 -0.60 0.02 0.00 0.00 176.35 175.62 1i7u s ARG 202 N 1.22 3.06 -0.24 1.70 3.52 -0.66 -1.69 118.95 125.87 1i7u s ARG 202 Ca 0.03 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 54.68 1i7u s ARG 202 Cb -0.15 -2.40 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 1i7u s ARG 202 CO 0.01 0.08 0.14 0.00 -0.81 0.00 0.00 175.30 174.71 1i7u s TRP 204 N 1.09 3.01 -0.15 0.00 0.52 0.28 -1.69 118.94 122.00 1i7u s TRP 204 Ca 0.07 0.07 -0.00 0.00 0.02 0.00 0.00 56.10 56.26 1i7u s TRP 204 Cb -0.14 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1i7u s TRP 204 CO 0.04 0.39 -0.09 0.00 0.02 0.00 0.00 176.95 177.32 1i7u s ALA 205 N -0.87 1.59 0.15 0.98 0.00 -0.42 -2.83 121.76 120.36 1i7u s ALA 205 Ca 0.14 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.35 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 -0.59 -0.14 -0.51 0.00 0.00 0.00 175.76 174.54 1i7u s LEU 206 N 1.59 2.45 -1.43 0.00 1.43 -0.10 -1.73 118.68 120.89 1i7u s LEU 206 Ca 0.03 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 1i7u s LEU 206 Cb -0.14 -0.59 0.05 0.00 0.03 0.00 0.00 46.19 45.54 1i7u s LEU 206 CO -0.09 -0.16 0.89 -0.24 0.23 0.00 0.00 176.35 176.99 1i7u n SER 207 N 0.25 -3.46 -4.74 2.29 2.88 -0.99 -0.81 113.62 109.04 1i7u n SER 207 Ca -0.13 -0.78 -0.23 0.00 -1.33 0.00 0.00 58.87 56.40 1i7u n SER 207 Cb 0.58 -4.03 -0.06 0.00 -0.75 0.00 0.00 64.21 59.95 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 -3.45 2.93 -0.26 0.66 -0.12 -1.04 -4.65 117.98 112.05 1i7u s PHE 208 Ca 0.40 -0.15 -0.20 0.00 -0.05 0.00 0.00 56.93 56.93 1i7u s PHE 208 Cb -0.20 -1.33 0.07 0.00 -0.63 0.00 0.00 43.02 40.94 1i7u s PHE 208 CO 0.82 0.56 0.68 -0.47 -0.05 0.00 0.00 175.22 176.76 1i7u s TYR 209 N -2.14 -0.89 1.15 3.49 5.04 -0.52 -0.69 117.35 122.78 1i7u s TYR 209 Ca 0.32 1.96 -0.19 0.00 -2.44 0.00 0.00 57.07 56.71 1i7u s TYR 209 Cb -0.08 0.42 0.28 0.00 0.35 0.00 0.00 41.96 42.94 1i7u s TYR 209 CO 0.22 -0.43 1.09 -0.35 -1.34 0.00 0.00 175.55 174.74 1i7u n PRO 210 N 3.45 -2.78 0.19 4.97 -0.04 -1.26 -0.72 135.00 138.81 1i7u n PRO 210 Ca -0.17 -1.73 0.03 0.00 -0.04 0.00 0.00 63.50 61.59 1i7u n PRO 210 Cb 0.57 -1.53 0.39 0.00 -0.04 0.00 0.00 33.50 32.88 1i7u n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7u h ALA 211 N -2.57 1.46 -2.32 0.55 0.00 -1.95 -3.45 119.26 110.98 1i7u h ALA 211 Ca -0.40 -0.29 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 1i7u h ALA 211 Cb 1.20 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.98 1i7u h ALA 211 CO 0.26 0.40 0.96 -1.91 0.00 0.00 0.00 179.25 178.96 1i7u n GLU 212 N -4.16 2.38 -3.50 0.00 4.07 -1.26 -4.97 120.64 113.20 1i7u n GLU 212 Ca -0.02 0.86 -0.12 0.00 -0.06 0.00 0.00 57.16 57.82 1i7u n GLU 212 Cb 0.36 -2.69 -0.04 0.00 -0.06 0.00 0.00 31.44 29.02 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 2.00 0.00 -0.12 6.31 2.07 -1.26 -4.68 121.20 125.52 1i7u s ILE 213 Ca 0.82 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 1i7u s ILE 213 Cb -0.62 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.00 1i7u s ILE 213 CO 0.40 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.43 1i7u s THR 214 N -2.40 1.29 -0.13 4.00 2.01 -0.81 -5.01 115.64 114.58 1i7u s THR 214 Ca -0.02 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1i7u s THR 214 Cb -0.01 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.28 1i7u s THR 214 CO -0.03 0.41 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.37 1i7u s LEU 215 N 1.46 1.87 0.04 4.42 2.01 -1.26 -1.62 118.68 125.59 1i7u s LEU 215 Ca 0.02 -0.52 -0.01 0.00 0.01 0.00 0.00 54.13 53.63 1i7u s LEU 215 Cb -0.13 -1.25 -0.03 0.00 0.01 0.00 0.00 46.19 44.78 1i7u s LEU 215 CO -0.07 0.02 -0.01 -0.89 1.01 0.00 0.00 176.35 176.40 1i7u s THR 216 N 1.09 0.17 0.03 5.49 2.01 -0.77 -4.97 115.64 118.68 1i7u s THR 216 Ca -0.03 -1.41 0.07 0.00 0.31 0.00 0.00 61.69 60.63 1i7u s THR 216 Cb -0.14 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1i7u s THR 216 CO -0.05 -0.78 -0.18 0.26 -0.69 0.00 0.00 174.62 173.18 1i7u s TRP 217 N -2.91 2.55 0.06 4.92 0.52 -1.26 -0.52 118.94 122.31 1i7u s TRP 217 Ca -0.02 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 55.87 1i7u s TRP 217 Cb 0.01 -1.48 -0.03 0.00 -1.15 0.00 0.00 33.47 30.81 1i7u s TRP 217 CO -0.06 0.22 -0.10 -0.65 0.02 0.00 0.00 176.95 176.37 1i7u s GLN 218 N -1.29 0.69 -0.16 4.98 -0.21 -0.23 -2.49 119.66 120.96 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 -0.52 0.02 0.00 1.00 0.00 0.00 33.01 33.41 1i7u s GLN 218 CO 0.04 0.10 -0.16 0.50 -2.12 0.00 0.00 175.29 173.65 1i7u s ARG 219 N -1.91 2.57 -1.44 2.91 3.52 -0.06 -1.27 118.95 123.26 1i7u s ARG 219 Ca -0.04 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1i7u s ARG 219 Cb -0.08 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 1i7u s ARG 219 CO 0.01 -0.23 0.00 -0.25 -0.81 0.00 0.00 175.30 174.02 1i7u n ASP 220 N 4.71 -4.83 0.00 -2.12 9.92 -0.23 -1.19 116.55 122.82 1i7u n ASP 220 Ca -0.19 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1i7u n ASP 220 Cb 0.50 -4.09 0.00 0.00 -0.64 0.00 0.00 41.12 36.89 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 -0.85 0.77 3.62 0.44 0.00 -1.26 -5.05 105.19 102.86 1i7u n GLY 221 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.33 2.85 0.47 1.61 8.01 -0.33 -5.03 118.70 125.95 1i7u s GLU 222 Ca 0.00 -0.49 -0.24 0.00 0.01 0.00 0.00 54.97 54.24 1i7u s GLU 222 Cb 0.00 -2.67 -0.08 0.00 -4.31 0.00 0.00 34.13 27.07 1i7u s GLU 222 CO 0.00 0.67 1.36 -0.25 0.01 0.00 0.00 175.26 177.05 1i7u n ASP 223 N 2.22 2.90 -1.29 -0.19 8.00 -1.26 -0.89 116.55 126.04 1i7u n ASP 223 Ca -0.18 1.08 -0.05 0.00 0.71 0.00 0.00 54.79 56.34 1i7u n ASP 223 Cb 0.53 -1.56 0.12 0.00 -0.02 0.00 0.00 41.12 40.19 1i7u n ASP 223 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1i7u n GLN 224 N -0.33 2.22 -0.25 -1.24 -0.06 -1.04 -4.82 117.38 111.87 1i7u n GLN 224 Ca 0.07 -3.54 0.01 0.00 -2.00 0.00 0.00 57.00 51.54 1i7u n GLN 224 Cb 0.42 -1.74 0.08 0.00 -4.06 0.00 0.00 30.24 24.93 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 2.08 0.27 0.00 1.69 1.35 -1.92 0.10 112.91 116.48 1i7u h THR 225 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1i7u h THR 225 Cb 1.27 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1i7u h THR 225 CO 0.29 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 177.12 1i7u h GLN 226 N -0.01 0.00 -0.34 4.72 4.20 -2.00 -2.75 115.11 118.94 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 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1i7u h GLN 226 CO -0.74 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.17 1i7u n ASP 227 N -2.37 2.93 -4.62 1.46 8.00 -0.07 -4.96 116.55 116.92 1i7u n ASP 227 Ca 0.02 -1.90 -0.34 0.00 0.71 0.00 0.00 54.79 53.27 1i7u n ASP 227 Cb 0.25 -0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.04 4.49 -0.27 -3.53 2.01 -0.64 -4.55 115.64 112.11 1i7u s THR 228 Ca 0.26 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 1i7u s THR 228 Cb 0.14 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1i7u s THR 228 CO 0.19 0.50 0.40 -0.70 -0.69 0.00 0.00 174.62 174.32 1i7u s GLU 229 N 0.07 4.03 -0.13 4.92 2.12 0.05 -4.93 118.70 124.83 1i7u s GLU 229 Ca 0.03 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1i7u s GLU 229 Cb -0.13 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.62 1i7u s GLU 229 CO 0.01 -0.29 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.07 1i7u s LEU 230 N 2.10 2.02 0.33 2.70 2.96 -1.26 -0.86 118.68 126.68 1i7u s LEU 230 Ca 0.16 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1i7u s LEU 230 Cb -0.16 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1i7u s LEU 230 CO 0.10 0.07 0.55 0.68 -1.32 0.00 0.00 176.35 176.44 1i7u s VAL 231 N 0.80 5.08 0.42 1.68 -7.23 -1.11 -5.05 120.40 114.99 1i7u s VAL 231 Ca -0.08 -0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 59.55 1i7u s VAL 231 Cb -0.16 -3.82 -0.08 0.00 0.56 0.00 0.00 36.38 32.88 1i7u s VAL 231 CO -0.01 -0.49 1.27 -0.70 -0.31 0.00 0.00 175.10 174.86 1i7u s GLU 232 N -4.08 3.90 0.25 4.82 2.12 -1.26 -4.64 118.70 119.81 1i7u s GLU 232 Ca 0.41 2.08 -0.31 0.00 0.36 0.00 0.00 54.97 57.51 1i7u s GLU 232 Cb -0.10 -2.68 -0.12 0.00 0.26 0.00 0.00 34.13 31.49 1i7u s GLU 232 CO 0.35 -0.52 1.66 0.99 -0.54 0.00 0.00 175.26 177.20 1i7u s THR 233 N -1.31 2.04 0.10 -1.70 2.01 -1.26 -4.85 115.64 110.67 1i7u s THR 233 Ca 0.58 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.69 1i7u s THR 233 Cb -0.36 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1i7u s THR 233 CO 0.46 0.00 -0.19 0.00 -0.69 0.00 0.00 174.62 174.20 1i7u s ARG 234 N 0.41 1.08 0.16 4.92 1.70 -0.31 -4.95 118.95 121.96 1i7u s ARG 234 Ca 0.70 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.50 1i7u s ARG 234 Cb -0.49 -1.26 -0.07 0.00 -0.57 0.00 0.00 34.95 32.56 1i7u s ARG 234 CO 0.39 0.28 1.04 -1.25 -1.08 0.00 0.00 175.30 174.69 1i7u s PRO 235 N -2.01 4.65 0.28 3.89 0.04 -1.26 -0.54 135.00 140.05 1i7u s PRO 235 Ca 0.06 1.62 0.16 0.00 0.04 0.00 0.00 61.00 62.88 1i7u s PRO 235 Cb -0.09 -3.31 0.08 0.00 0.04 0.00 0.00 34.50 31.22 1i7u s PRO 235 CO 0.04 0.16 1.42 0.00 0.04 0.00 0.00 177.00 178.66 1i7u h ALA 236 N 5.15 0.70 0.00 8.56 0.00 -1.40 -3.47 119.26 128.80 1i7u h ALA 236 Ca -0.44 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1i7u h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i7u h ALA 236 CO 0.72 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.96 1i7u n GLY 237 N 1.22 0.62 0.72 0.00 0.00 -1.26 -4.91 105.19 101.57 1i7u n GLY 237 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 3.29 0.00 1.61 5.75 -1.26 -4.94 116.55 121.00 1i7u n ASP 238 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1i7u n ASP 238 Cb 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.02 0.19 3.86 6.12 0.00 -1.26 -5.08 105.19 109.05 1i7u n GLY 239 Ca 0.15 0.00 -0.25 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 2.01 0.29 2.61 -4.23 -1.26 -4.88 115.64 108.18 1i7u s THR 240 Ca 0.00 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1i7u s THR 240 Cb 0.00 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 1i7u s THR 240 CO 0.00 0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 1i7u s PHE 241 N -2.67 1.94 0.05 3.99 0.08 0.13 -1.02 117.98 120.48 1i7u s PHE 241 Ca 0.38 -0.79 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 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 0.18 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.85 1i7u s GLN 242 N -3.78 0.56 -0.10 0.44 -0.21 0.30 -2.35 119.66 114.52 1i7u s GLN 242 Ca 0.31 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 1i7u s GLN 242 Cb 0.06 0.15 0.11 0.00 1.00 0.00 0.00 33.01 34.33 1i7u s GLN 242 CO 0.13 -0.09 0.90 0.21 -2.12 0.00 0.00 175.29 174.31 1i7u s LYS 243 N -3.39 0.76 0.07 2.91 2.20 -0.70 -1.16 119.74 120.43 1i7u s LYS 243 Ca 0.02 0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1i7u s LYS 243 Cb 0.04 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 1i7u s LYS 243 CO -0.08 -0.26 0.16 1.67 -0.36 0.00 0.00 175.35 176.48 1i7u s TRP 244 N -1.52 0.18 -0.01 4.03 1.48 -1.26 -1.30 118.94 120.54 1i7u s TRP 244 Ca -0.03 -0.58 0.01 0.00 -1.06 0.00 0.00 56.10 54.44 1i7u s TRP 244 Cb -0.00 -0.10 0.01 0.00 -1.16 0.00 0.00 33.47 32.21 1i7u s TRP 244 CO 0.02 -0.49 -0.02 0.00 -4.06 0.00 0.00 176.95 172.40 1i7u s ALA 245 N -3.52 0.29 0.09 2.67 0.00 -0.68 -2.75 121.76 117.86 1i7u s ALA 245 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1i7u s ALA 245 Cb 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1i7u s ALA 245 CO -0.09 0.02 -0.11 0.00 0.00 0.00 0.00 175.76 175.58 1i7u s ALA 246 N 0.33 1.09 -0.01 0.00 0.00 -0.04 -0.23 121.76 122.90 1i7u s ALA 246 Ca -0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1i7u s ALA 246 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1i7u s ALA 246 CO -0.01 0.00 0.07 0.14 0.00 0.00 0.00 175.76 175.96 1i7u s VAL 247 N -2.14 0.04 -0.25 0.00 -7.23 -0.68 -0.77 120.40 109.37 1i7u s VAL 247 Ca 0.03 -0.32 -0.15 0.00 -1.81 0.00 0.00 61.98 59.73 1i7u s VAL 247 Cb -0.05 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 1i7u s VAL 247 CO 0.01 -0.17 0.37 -0.69 -0.31 0.00 0.00 175.10 174.30 1i7u s VAL 248 N -0.53 5.19 -0.06 1.32 1.01 -1.26 -1.09 120.40 124.97 1i7u s VAL 248 Ca -0.06 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.54 1i7u s VAL 248 Cb -0.04 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1i7u s VAL 248 CO 0.00 0.19 -0.11 -0.69 0.00 0.00 0.00 175.10 174.50 1i7u s VAL 249 N 1.79 3.38 0.11 2.92 1.01 0.20 -4.92 120.40 124.91 1i7u s VAL 249 Ca 0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1i7u s VAL 249 Cb -0.15 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1i7u s VAL 249 CO 0.09 0.59 1.53 -2.84 0.00 0.00 0.00 175.10 174.47 1i7u s PRO 250 N -0.74 4.24 -0.05 2.72 0.02 -1.26 -0.58 135.00 139.35 1i7u s PRO 250 Ca 0.11 2.24 -0.38 0.00 0.02 0.00 0.00 61.00 63.00 1i7u s PRO 250 Cb -0.11 -3.34 -0.16 0.00 0.02 0.00 0.00 34.50 30.91 1i7u s PRO 250 CO 0.01 -0.60 1.51 0.43 -0.33 0.00 0.00 177.00 178.02 1i7u n SER 251 N 4.55 1.99 0.00 2.53 7.64 -0.74 -1.35 113.62 128.25 1i7u n SER 251 Ca 0.14 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1i7u n SER 251 Cb 0.40 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 3.21 2.27 1.01 0.23 0.00 -1.26 -4.94 105.19 105.71 1i7u n GLY 252 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.99 2.94 -0.30 1.61 6.02 -0.45 -4.68 117.38 121.52 1i7u n GLN 253 Ca 0.00 -2.41 0.14 0.00 -0.01 0.00 0.00 57.00 54.72 1i7u n GLN 253 Cb 0.00 -1.48 0.31 0.00 1.02 0.00 0.00 30.24 30.09 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 3.01 0.34 0.00 -1.09 3.07 -1.93 0.07 114.58 118.05 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 0.95 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1i7u h GLU 254 CO 0.04 0.22 0.00 0.00 -1.40 0.00 0.00 179.01 177.88 1i7u n GLN 255 N -5.09 0.10 0.15 2.33 10.64 -1.26 -2.12 117.38 122.14 1i7u n GLN 255 Ca 0.23 0.48 0.12 0.00 -1.83 0.00 0.00 57.00 56.00 1i7u n GLN 255 Cb 0.68 -1.76 0.25 0.00 -0.86 0.00 0.00 30.24 28.55 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 -5.82 2.61 3.08 -1.34 -3.46 114.38 109.44 1i7u h ARG 256 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1i7u h ARG 256 Cb 0.15 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1i7u h ARG 256 CO 0.00 0.00 -0.40 0.71 -1.07 0.00 0.00 179.97 179.21 1i7u s TYR 257 N -3.18 3.60 -0.01 3.04 1.51 -0.90 -1.06 117.35 120.36 1i7u s TYR 257 Ca 0.08 0.59 0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1i7u s TYR 257 Cb 0.09 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1i7u s TYR 257 CO 0.66 0.66 -0.07 0.95 -1.11 0.00 0.00 175.55 176.64 1i7u s THR 258 N -1.19 0.55 -0.16 -0.71 -4.23 -0.40 -4.41 115.64 105.09 1i7u s THR 258 Ca 0.23 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.37 1i7u s THR 258 Cb -0.13 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1i7u s THR 258 CO 0.12 0.16 0.10 0.00 -0.54 0.00 0.00 174.62 174.46 1i7u s HIS 260 N -0.15 2.70 -0.10 0.00 3.76 0.32 -0.14 115.29 121.69 1i7u s HIS 260 Ca 0.09 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 1i7u s HIS 260 Cb -0.12 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.83 1i7u s HIS 260 CO 0.01 -0.20 -0.16 0.08 -0.85 0.00 0.00 174.74 173.61 1i7u s VAL 261 N 0.13 1.55 -0.11 -0.90 1.01 -0.41 -1.85 120.40 119.82 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 -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1i7u s VAL 261 CO 0.05 0.45 -0.21 -1.10 0.00 0.00 0.00 175.10 174.30 1i7u s GLN 262 N 0.81 2.77 -0.09 2.72 -0.21 -0.64 -1.26 119.66 123.76 1i7u s GLN 262 Ca -0.10 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.24 1i7u s GLN 262 Cb -0.16 -2.20 0.06 0.00 1.00 0.00 0.00 33.01 31.71 1i7u s GLN 262 CO 0.01 0.04 0.62 -1.58 -2.12 0.00 0.00 175.29 172.26 1i7u s HIS 263 N 0.68 -0.60 0.55 0.91 2.46 -1.26 -1.92 115.29 116.10 1i7u s HIS 263 Ca -0.12 1.15 0.22 0.00 0.47 0.00 0.00 55.06 56.79 1i7u s HIS 263 Cb -0.16 0.32 1.47 0.00 -0.13 0.00 0.00 32.58 34.07 1i7u s HIS 263 CO 0.02 -0.51 2.15 1.49 -2.47 0.00 0.00 174.74 175.42 1i7u h GLU 264 N 3.68 0.00 -0.00 2.88 4.81 -1.94 -1.89 114.58 122.11 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 0.32 0.00 -0.02 0.41 -0.73 0.00 0.00 179.01 178.98 1i7u n GLY 265 N -1.49 -0.93 3.76 1.92 0.00 -1.26 -4.81 105.19 102.38 1i7u n GLY 265 Ca -0.01 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 4.30 0.56 0.99 1.43 -0.71 -4.42 118.68 118.60 1i7u s LEU 266 Ca 0.39 0.63 0.33 0.00 -1.03 0.00 0.00 54.13 54.45 1i7u s LEU 266 Cb 0.21 -2.44 1.62 0.00 0.03 0.00 0.00 46.19 45.61 1i7u s LEU 266 CO 0.41 0.14 2.10 1.55 0.23 0.00 0.00 176.35 180.78 1i7u h PRO 267 N 6.22 0.00 -2.05 1.29 0.13 -1.87 -3.44 132.00 132.28 1i7u h PRO 267 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1i7u h PRO 267 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1i7u h PRO 267 CO 0.72 0.06 0.15 0.21 -0.23 0.00 0.00 178.00 178.91 1i7u s LYS 268 N -3.99 0.98 0.43 0.86 2.20 -1.26 -5.15 119.74 113.81 1i7u s LYS 268 Ca -0.02 0.44 -0.25 0.00 -0.36 0.00 0.00 55.97 55.78 1i7u s LYS 268 Cb 0.12 0.46 -0.10 0.00 -1.51 0.00 0.00 37.83 36.80 1i7u s LYS 268 CO 0.54 -0.26 1.20 -2.30 -0.36 0.00 0.00 175.35 174.17 1i7u n PRO 269 N 1.42 1.75 -3.72 4.03 -0.02 -1.26 -4.98 135.00 132.22 1i7u n PRO 269 Ca -0.18 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 1i7u n PRO 269 Cb 0.56 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.46 4.35 -0.19 2.45 1.43 -0.39 -4.94 118.68 119.92 1i7u s LEU 270 Ca 0.62 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1i7u s LEU 270 Cb -0.52 -2.87 0.06 0.00 0.03 0.00 0.00 46.19 42.89 1i7u s LEU 270 CO 0.57 0.19 0.00 -0.89 0.23 0.00 0.00 176.35 176.46 1i7u s THR 271 N -1.40 0.84 0.11 5.49 2.01 -1.26 -1.29 115.64 120.14 1i7u s THR 271 Ca 0.32 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1i7u s THR 271 Cb -0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1i7u s THR 271 CO 0.19 -0.11 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.23 1i7u s LEU 272 N 1.72 3.37 0.01 4.42 1.43 0.80 -4.93 118.68 125.51 1i7u s LEU 272 Ca -0.02 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1i7u s LEU 272 Cb -0.17 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1i7u s LEU 272 CO -0.07 0.16 0.03 -0.60 0.23 0.00 0.00 176.35 176.10 1i7u s ARG 273 N -2.40 0.36 -0.30 1.70 3.52 -1.26 -0.07 118.95 120.50 1i7u s ARG 273 Ca 0.25 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 55.12 1i7u s ARG 273 Cb -0.11 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.41 1i7u s ARG 273 CO 0.18 -0.07 0.69 -0.46 -0.81 0.00 0.00 175.30 174.82 1i7u s TRP 274 N -1.38 3.22 0.00 5.12 -0.11 -1.26 -5.05 118.94 119.48 1i7u s TRP 274 Ca -0.15 0.71 0.00 0.00 1.22 0.00 0.00 56.10 57.88 1i7u s TRP 274 Cb -0.09 -3.05 0.00 0.00 -1.50 0.00 0.00 33.47 28.83 1i7u s TRP 274 CO -0.00 -0.48 0.00 -0.85 -4.62 0.00 0.00 176.95 171.00