#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7t s SER 2 N 0.00 4.90 0.19 1.61 1.04 -1.26 -4.14 113.70 116.04 1i7t s SER 2 Ca 0.00 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1i7t s SER 2 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1i7t s SER 2 CO 0.00 -1.76 0.08 -1.00 0.98 0.00 0.00 173.24 171.53 1i7t s HIS 3 N -2.98 1.19 0.13 5.02 0.09 -0.61 -4.93 115.29 113.20 1i7t s HIS 3 Ca 0.60 -1.22 -0.16 0.00 -0.00 0.00 0.00 55.06 54.28 1i7t s HIS 3 Cb -0.16 -0.65 0.03 0.00 -0.00 0.00 0.00 32.58 31.81 1i7t s HIS 3 CO 0.56 -0.45 0.40 -1.54 -0.00 0.00 0.00 174.74 173.70 1i7t s SER 4 N -3.17 -0.22 -0.10 1.40 1.04 -1.26 -0.56 113.70 110.83 1i7t s SER 4 Ca 0.32 -0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 1i7t s SER 4 Cb 0.07 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1i7t s SER 4 CO 0.08 -0.86 -0.08 -0.32 0.98 0.00 0.00 173.24 173.04 1i7t s MET 5 N -3.81 1.48 0.07 4.02 -2.45 -0.63 -0.69 119.30 117.29 1i7t s MET 5 Ca 0.04 -0.25 0.07 0.00 -1.25 0.00 0.00 55.69 54.29 1i7t s MET 5 Cb 0.02 -1.50 -0.03 0.00 1.25 0.00 0.00 34.83 34.57 1i7t s MET 5 CO -0.11 -0.22 -0.18 1.03 1.05 0.00 0.00 175.02 176.59 1i7t s ARG 6 N 1.53 1.07 -0.17 4.11 1.81 -0.28 -1.85 118.95 125.18 1i7t s ARG 6 Ca 0.01 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.04 1i7t s ARG 6 Cb -0.13 -1.20 0.03 0.00 -0.45 0.00 0.00 34.95 33.20 1i7t s ARG 6 CO -0.06 0.29 -0.14 0.71 -0.68 0.00 0.00 175.30 175.42 1i7t s TYR 7 N -1.05 2.33 -0.19 -0.53 2.02 -0.21 0.19 117.35 119.91 1i7t s TYR 7 Ca 0.04 -1.38 -0.07 0.00 -0.37 0.00 0.00 57.07 55.29 1i7t s TYR 7 Cb -0.09 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1i7t s TYR 7 CO 0.03 -0.71 0.05 -0.06 -1.57 0.00 0.00 175.55 173.29 1i7t s PHE 8 N 1.43 3.19 -0.07 2.71 0.08 -0.12 -2.49 117.98 122.72 1i7t s PHE 8 Ca 0.03 -0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.08 1i7t s PHE 8 Cb -0.14 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1i7t s PHE 8 CO -0.10 0.06 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.83 1i7t s PHE 9 N 0.54 1.96 -0.06 0.36 0.08 0.56 -1.30 117.98 120.12 1i7t s PHE 9 Ca 0.02 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1i7t s PHE 9 Cb -0.13 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 1i7t s PHE 9 CO 0.01 -0.28 -0.03 0.99 -0.10 0.00 0.00 175.22 175.82 1i7t s THR 10 N 0.28 0.50 -0.07 0.64 2.01 0.06 -1.09 115.64 117.98 1i7t s THR 10 Ca -0.11 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.88 1i7t s THR 10 Cb -0.15 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1i7t s THR 10 CO 0.05 0.24 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.51 1i7t s SER 11 N 1.35 2.15 -0.10 3.53 0.15 -0.16 -0.01 113.70 120.60 1i7t s SER 11 Ca -0.04 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1i7t s SER 11 Cb -0.13 -0.89 0.02 0.00 -1.71 0.00 0.00 66.02 63.31 1i7t s SER 11 CO -0.02 0.09 -0.08 -0.69 1.20 0.00 0.00 173.24 173.73 1i7t s VAL 12 N 0.43 1.02 0.04 4.45 1.01 0.51 -1.03 120.40 126.84 1i7t s VAL 12 Ca -0.13 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1i7t s VAL 12 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1i7t s VAL 12 CO 0.04 0.36 1.03 -0.94 0.00 0.00 0.00 175.10 175.59 1i7t s SER 13 N 1.43 7.32 -0.62 3.32 1.04 -0.42 -0.95 113.70 124.84 1i7t s SER 13 Ca -0.00 1.79 0.06 0.00 0.48 0.00 0.00 55.95 58.28 1i7t s SER 13 Cb -0.13 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.66 1i7t s SER 13 CO -0.05 -0.27 0.71 -2.11 0.98 0.00 0.00 173.24 172.50 1i7t n ARG 14 N 3.61 2.31 -1.38 4.02 1.85 -1.26 -3.53 116.66 122.28 1i7t n ARG 14 Ca 0.06 -4.51 -0.43 0.00 -1.00 0.00 0.00 57.85 51.96 1i7t n ARG 14 Cb 0.49 -2.15 -0.01 0.00 -1.05 0.00 0.00 32.46 29.75 1i7t n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1i7t n PRO 15 N 0.95 0.22 -0.67 2.89 -0.02 -1.26 -1.86 135.00 135.26 1i7t n PRO 15 Ca 0.29 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1i7t n PRO 15 Cb 0.42 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1i7t n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7t n GLY 16 N 2.05 0.30 2.51 -1.23 0.00 -1.26 -4.80 105.19 102.75 1i7t n GLY 16 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1i7t n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i7t n ARG 17 N -1.91 1.08 0.00 1.61 1.85 -0.77 -5.13 116.66 113.37 1i7t n ARG 17 Ca 0.00 -3.02 0.00 0.00 -1.00 0.00 0.00 57.85 53.83 1i7t n ARG 17 Cb 0.02 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1i7t n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i7t n GLY 18 N 0.04 -1.61 3.83 2.89 0.00 -1.26 -4.94 105.19 104.14 1i7t n GLY 18 Ca 0.13 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1i7t n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i7t s GLU 19 N 0.00 4.15 0.38 1.61 2.56 -1.26 -4.72 118.70 121.42 1i7t s GLU 19 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 54.97 55.65 1i7t s GLU 19 Cb 0.00 -2.29 -0.11 0.00 2.00 0.00 0.00 34.13 33.73 1i7t s GLU 19 CO 0.00 0.05 1.48 -0.35 -0.56 0.00 0.00 175.26 175.88 1i7t n PRO 20 N -0.50 2.66 -2.36 4.30 -0.04 -1.26 -4.70 135.00 133.09 1i7t n PRO 20 Ca 0.06 0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 64.03 1i7t n PRO 20 Cb 0.54 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1i7t n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1i7t s ARG 21 N -2.10 4.40 -0.14 0.54 6.06 -0.12 -4.80 118.95 122.80 1i7t s ARG 21 Ca 0.53 1.84 0.01 0.00 -2.50 0.00 0.00 55.73 55.61 1i7t s ARG 21 Cb -0.48 -3.34 0.02 0.00 0.06 0.00 0.00 34.95 31.21 1i7t s ARG 21 CO 0.64 -0.31 -0.17 0.12 -2.50 0.00 0.00 175.30 173.08 1i7t s PHE 22 N 1.13 2.30 0.00 5.12 5.36 -1.26 -0.36 117.98 130.26 1i7t s PHE 22 Ca 0.60 -1.22 0.08 0.00 -0.96 0.00 0.00 56.93 55.43 1i7t s PHE 22 Cb -0.31 -1.63 -0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1i7t s PHE 22 CO 0.29 -0.62 -0.25 0.42 -1.46 0.00 0.00 175.22 173.60 1i7t s ILE 23 N 1.18 2.19 -0.01 3.12 -1.09 0.99 -1.36 121.20 126.21 1i7t s ILE 23 Ca -0.01 -1.17 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 1i7t s ILE 23 Cb -0.14 -1.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1i7t s ILE 23 CO -0.07 0.50 -0.02 0.00 -1.23 0.00 0.00 174.94 174.13 1i7t s ALA 24 N -0.70 0.24 0.08 9.38 0.00 0.12 -0.76 121.76 130.14 1i7t s ALA 24 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1i7t s ALA 24 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1i7t s ALA 24 CO 0.00 0.02 0.11 0.14 0.00 0.00 0.00 175.76 176.03 1i7t s VAL 25 N 0.23 0.16 -0.02 0.00 -7.23 -0.42 -0.73 120.40 112.40 1i7t s VAL 25 Ca -0.02 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1i7t s VAL 25 Cb -0.05 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.43 1i7t s VAL 25 CO -0.01 -0.75 0.11 -0.83 -0.31 0.00 0.00 175.10 173.32 1i7t s GLY 26 N -2.90 -0.01 0.19 2.32 0.00 -0.99 -0.94 107.32 104.98 1i7t s GLY 26 Ca 0.07 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.95 1i7t s GLY 26 CO -0.09 0.02 -0.11 -0.19 0.00 0.00 0.00 173.10 172.72 1i7t s TYR 27 N -0.55 1.53 -0.16 1.90 1.51 0.13 -1.47 117.35 120.24 1i7t s TYR 27 Ca -0.06 -0.68 -0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1i7t s TYR 27 Cb -0.04 -0.76 0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1i7t s TYR 27 CO 0.00 0.21 0.01 0.08 -1.11 0.00 0.00 175.55 174.74 1i7t s VAL 28 N -3.15 0.65 0.00 0.71 1.01 -0.69 -1.13 120.40 117.81 1i7t s VAL 28 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1i7t s VAL 28 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1i7t s VAL 28 CO 0.05 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.59 1i7t n ASP 29 N 5.02 0.00 -1.39 3.32 8.00 0.13 -1.20 116.55 130.43 1i7t n ASP 29 Ca -0.09 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.46 1i7t n ASP 29 Cb 0.48 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.85 1i7t n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i7t n ASP 30 N 1.11 4.06 -4.38 -2.24 8.00 -1.26 -4.85 116.55 116.99 1i7t n ASP 30 Ca 0.00 -2.57 -0.35 0.00 0.71 0.00 0.00 54.79 52.59 1i7t n ASP 30 Cb 0.00 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 40.37 1i7t n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7t s THR 31 N -2.11 3.57 0.11 -3.53 2.01 -0.34 -5.03 115.64 110.33 1i7t s THR 31 Ca 0.36 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1i7t s THR 31 Cb 0.27 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 1i7t s THR 31 CO 0.12 0.44 0.93 -1.58 -0.69 0.00 0.00 174.62 173.85 1i7t s GLN 32 N 1.06 4.68 -0.03 4.92 0.74 -1.26 -1.70 119.66 128.06 1i7t s GLN 32 Ca 0.01 1.40 0.04 0.00 0.05 0.00 0.00 55.36 56.86 1i7t s GLN 32 Cb -0.15 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.54 1i7t s GLN 32 CO 0.00 0.24 0.04 1.97 -0.55 0.00 0.00 175.29 176.99 1i7t n PHE 33 N 2.72 0.00 -4.04 1.67 -1.74 -0.54 -3.90 117.46 111.63 1i7t n PHE 33 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.82 1i7t n PHE 33 Cb 0.49 -0.18 -0.09 0.00 1.52 0.00 0.00 39.48 41.22 1i7t n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i7t s VAL 34 N -2.16 0.15 0.14 1.97 -7.23 -1.25 0.20 120.40 112.21 1i7t s VAL 34 Ca -0.02 -1.64 -0.21 0.00 -1.81 0.00 0.00 61.98 58.29 1i7t s VAL 34 Cb 0.02 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.33 1i7t s VAL 34 CO 0.18 -0.66 0.54 0.00 -0.31 0.00 0.00 175.10 174.84 1i7t s ARG 35 N -3.95 1.19 -0.11 4.82 1.04 0.01 -2.35 118.95 119.60 1i7t s ARG 35 Ca 0.13 -0.50 -0.07 0.00 -1.04 0.00 0.00 55.73 54.25 1i7t s ARG 35 Cb 0.06 0.54 0.04 0.00 -2.04 0.00 0.00 34.95 33.56 1i7t s ARG 35 CO -0.05 -0.50 0.27 0.12 -0.04 0.00 0.00 175.30 175.10 1i7t s PHE 36 N -3.59 -0.33 -0.12 5.89 5.36 0.09 -0.37 117.98 124.90 1i7t s PHE 36 Ca 0.01 0.79 -0.01 0.00 -0.96 0.00 0.00 56.93 56.76 1i7t s PHE 36 Cb -0.00 0.09 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 1i7t s PHE 36 CO -0.11 -0.20 -0.02 0.34 -1.46 0.00 0.00 175.22 173.77 1i7t s ASP 37 N 0.74 2.22 0.54 6.13 -1.08 -1.26 -0.70 116.67 123.26 1i7t s ASP 37 Ca -0.05 -0.39 0.26 0.00 -0.52 0.00 0.00 52.55 51.84 1i7t s ASP 37 Cb -0.06 -0.65 1.41 0.00 -1.46 0.00 0.00 42.92 42.16 1i7t s ASP 37 CO -0.05 -0.20 2.00 0.77 0.52 0.00 0.00 175.17 178.21 1i7t h SER 38 N 8.24 0.00 0.31 -0.34 4.64 -1.62 -0.00 113.55 124.78 1i7t h SER 38 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1i7t h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1i7t h SER 38 CO 0.33 0.00 -0.22 0.47 -0.87 0.00 0.00 176.83 176.55 1i7t n ASP 39 N -4.32 0.79 -4.81 4.97 9.92 -1.26 -4.92 116.55 116.92 1i7t n ASP 39 Ca 0.09 -0.72 -0.30 0.00 -0.53 0.00 0.00 54.79 53.33 1i7t n ASP 39 Cb 0.60 0.06 0.08 0.00 -0.64 0.00 0.00 41.12 41.22 1i7t n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i7t s ALA 40 N -2.53 2.34 -0.01 2.24 0.00 -0.02 -5.00 121.76 118.79 1i7t s ALA 40 Ca 0.25 -0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 1i7t s ALA 40 Cb 0.19 -3.12 -0.23 0.00 0.00 0.00 0.00 23.12 19.96 1i7t s ALA 40 CO 0.52 -1.62 1.09 0.00 0.00 0.00 0.00 175.76 175.74 1i7t h ALA 41 N -1.01 0.07 -0.82 0.00 0.00 -1.91 -3.35 119.26 112.25 1i7t h ALA 41 Ca -0.46 -0.54 0.10 0.00 0.00 0.00 0.00 54.91 54.01 1i7t h ALA 41 Cb 1.26 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1i7t h ALA 41 CO 0.59 0.28 0.53 0.66 0.00 0.00 0.00 179.25 181.31 1i7t h SER 42 N -0.20 0.68 -6.09 0.00 4.64 -1.94 -3.46 113.55 107.18 1i7t h SER 42 Ca -0.06 0.02 -0.42 0.00 -0.47 0.00 0.00 61.79 60.86 1i7t h SER 42 Cb 1.22 -0.12 0.05 0.00 -0.31 0.00 0.00 62.40 63.24 1i7t h SER 42 CO 0.10 0.40 -0.81 0.00 -0.87 0.00 0.00 176.83 175.65 1i7t n GLN 43 N -4.51 -5.21 -3.74 4.77 1.13 -1.26 -4.96 117.38 103.59 1i7t n GLN 43 Ca 0.14 0.64 -0.13 0.00 -1.94 0.00 0.00 57.00 55.71 1i7t n GLN 43 Cb 0.34 -5.29 -0.08 0.00 0.11 0.00 0.00 30.24 25.32 1i7t n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i7t s ARG 44 N -6.07 0.76 0.07 -1.09 0.52 -1.26 -5.06 118.95 106.83 1i7t s ARG 44 Ca 0.14 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.73 1i7t s ARG 44 Cb -0.07 0.34 -0.07 0.00 0.52 0.00 0.00 34.95 35.67 1i7t s ARG 44 CO 0.81 -0.23 1.41 1.41 0.02 0.00 0.00 175.30 178.71 1i7t s MET 45 N -1.89 4.30 0.14 3.54 -2.45 -1.26 -4.66 119.30 117.03 1i7t s MET 45 Ca -0.09 2.05 0.10 0.00 -1.25 0.00 0.00 55.69 56.49 1i7t s MET 45 Cb -0.03 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.63 1i7t s MET 45 CO 0.01 -0.50 -0.19 -1.21 1.05 0.00 0.00 175.02 174.18 1i7t s GLU 46 N 1.62 1.73 0.40 4.11 2.02 0.50 -4.89 118.70 124.19 1i7t s GLU 46 Ca 0.65 -1.28 -0.23 0.00 0.02 0.00 0.00 54.97 54.13 1i7t s GLU 46 Cb -0.35 -2.04 -0.10 0.00 0.10 0.00 0.00 34.13 31.73 1i7t s GLU 46 CO 0.29 0.45 0.95 -1.25 0.02 0.00 0.00 175.26 175.73 1i7t s PRO 47 N -2.35 4.33 0.00 0.39 0.04 -1.26 -0.81 135.00 135.33 1i7t s PRO 47 Ca 0.19 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1i7t s PRO 47 Cb -0.10 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1i7t s PRO 47 CO 0.10 0.05 0.56 0.54 0.04 0.00 0.00 177.00 178.29 1i7t n ARG 48 N -0.25 0.73 -3.85 4.56 5.12 0.52 -4.82 116.66 118.68 1i7t n ARG 48 Ca 0.05 -0.71 -0.12 0.00 -1.93 0.00 0.00 57.85 55.14 1i7t n ARG 48 Cb 0.53 -0.74 -0.14 0.00 -1.16 0.00 0.00 32.46 30.94 1i7t n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i7t s ALA 49 N -0.30 -0.11 0.14 7.54 0.00 -1.10 -4.68 121.76 123.24 1i7t s ALA 49 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 1i7t s ALA 49 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1i7t s ALA 49 CO 0.00 -0.03 1.59 -1.35 0.00 0.00 0.00 175.76 175.97 1i7t h PRO 50 N 6.14 -0.37 0.00 0.00 0.11 -1.93 -2.74 132.00 133.21 1i7t h PRO 50 Ca -0.25 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1i7t h PRO 50 Cb 1.20 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1i7t h PRO 50 CO 0.48 -0.25 0.00 -2.67 -0.21 0.00 0.00 178.00 175.35 1i7t n TRP 51 N -5.42 0.00 0.00 0.65 4.27 -1.26 -1.44 117.44 114.24 1i7t n TRP 51 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1i7t n TRP 51 Cb 0.35 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1i7t n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1i7t n ILE 52 N 0.26 0.00 0.20 -1.67 0.13 -1.03 -4.66 119.36 112.58 1i7t n ILE 52 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 62.75 61.83 1i7t n ILE 52 Cb 0.00 0.12 0.83 0.00 -0.84 0.00 0.00 39.64 39.74 1i7t n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i7t h GLU 53 N 0.00 0.00 -0.37 9.51 5.08 -1.32 -0.80 114.58 126.68 1i7t h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i7t h GLU 53 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1i7t h GLU 53 CO 0.00 0.00 0.23 1.96 -1.00 0.00 0.00 179.01 180.20 1i7t h GLN 54 N 0.00 0.49 -5.90 2.33 1.08 -1.83 -3.44 115.11 107.84 1i7t h GLN 54 Ca 0.10 -0.04 -0.75 0.00 -1.45 0.00 0.00 58.65 56.51 1i7t h GLN 54 Cb 0.56 -0.11 0.06 0.00 -0.05 0.00 0.00 27.48 27.94 1i7t h GLN 54 CO -0.00 0.34 -0.09 0.39 -0.95 0.00 0.00 178.83 178.52 1i7t n GLU 55 N -4.82 0.00 -1.17 1.46 -0.58 -0.31 -4.92 120.64 110.31 1i7t n GLU 55 Ca -0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1i7t n GLU 55 Cb 0.04 -1.35 0.16 0.00 -0.57 0.00 0.00 31.44 29.71 1i7t n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i7t n GLY 56 N 1.60 -1.79 0.32 0.62 0.00 -1.26 -4.82 105.19 99.86 1i7t n GLY 56 Ca 0.19 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.74 1i7t n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i7t h PRO 57 N 0.00 0.00 0.36 1.61 0.13 -1.97 -2.35 132.00 129.78 1i7t h PRO 57 Ca -0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1i7t h PRO 57 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1i7t h PRO 57 CO 0.21 0.00 -0.17 1.49 -0.23 0.00 0.00 178.00 179.29 1i7t h GLU 58 N 0.00 -0.47 -0.15 0.86 4.22 -1.98 0.17 114.58 117.23 1i7t h GLU 58 Ca 0.05 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.57 1i7t h GLU 58 Cb 0.29 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1i7t h GLU 58 CO -0.00 -0.23 -0.22 -0.92 -2.18 0.00 0.00 179.01 175.46 1i7t h TYR 59 N -0.63 -0.58 -0.06 0.92 5.03 -1.78 0.19 116.97 120.07 1i7t h TYR 59 Ca -0.05 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 1i7t h TYR 59 Cb 0.45 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1i7t h TYR 59 CO -0.02 -0.30 -0.21 -1.49 -1.32 0.00 0.00 178.16 174.82 1i7t h TRP 60 N -0.27 0.11 0.07 -3.82 4.06 -1.43 0.13 115.95 114.81 1i7t h TRP 60 Ca 0.11 -0.01 -0.26 0.00 2.06 0.00 0.00 58.89 60.78 1i7t h TRP 60 Cb 0.43 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1i7t h TRP 60 CO -0.33 0.31 -1.11 -0.44 -3.56 0.00 0.00 178.44 173.31 1i7t h ASP 61 N 0.10 0.58 -0.08 -3.49 5.19 -0.16 -2.09 116.42 116.47 1i7t h ASP 61 Ca 0.02 -0.53 -0.02 0.00 -0.62 0.00 0.00 57.03 55.87 1i7t h ASP 61 Cb 0.43 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1i7t h ASP 61 CO 0.03 1.36 -0.04 1.23 -3.12 0.00 0.00 179.24 178.70 1i7t h GLY 62 N 1.11 0.17 1.97 2.75 0.00 -0.19 -1.51 103.07 107.38 1i7t h GLY 62 Ca -0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1i7t h GLY 62 CO 0.19 0.14 -0.37 0.83 0.00 0.00 0.00 176.54 177.33 1i7t h GLU 63 N -0.21 0.03 -0.07 4.80 4.39 -0.83 0.79 114.58 123.47 1i7t h GLU 63 Ca 0.02 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1i7t h GLU 63 Cb 0.48 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1i7t h GLU 63 CO 0.01 0.40 -0.51 1.15 -1.16 0.00 0.00 179.01 178.90 1i7t h THR 64 N 0.03 1.36 0.06 1.13 2.02 -1.32 0.21 112.91 116.39 1i7t h THR 64 Ca 0.00 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.41 1i7t h THR 64 Cb 0.67 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1i7t h THR 64 CO 0.05 0.52 -0.03 -0.09 0.37 0.00 0.00 175.52 176.34 1i7t h ARG 65 N 0.15 -0.07 -0.31 6.66 2.43 -0.46 -2.63 114.38 120.15 1i7t h ARG 65 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1i7t h ARG 65 Cb 0.96 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1i7t h ARG 65 CO 0.08 0.44 0.02 0.87 -1.51 0.00 0.00 179.97 179.87 1i7t h LYS 66 N -0.63 0.54 -0.81 0.20 1.57 -0.78 -2.72 116.57 113.94 1i7t h LYS 66 Ca -0.01 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1i7t h LYS 66 Cb 0.55 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1i7t h LYS 66 CO 0.01 0.66 0.53 -0.24 -0.57 0.00 0.00 179.45 179.85 1i7t h VAL 67 N 0.35 1.21 -0.49 0.50 3.04 -0.67 -0.80 116.25 119.39 1i7t h VAL 67 Ca 0.09 -0.37 -0.06 0.00 -1.01 0.00 0.00 66.70 65.34 1i7t h VAL 67 Cb 0.41 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.69 1i7t h VAL 67 CO 0.01 0.20 0.06 0.11 -1.01 0.00 0.00 177.57 176.94 1i7t h LYS 68 N 1.09 0.83 -0.26 4.17 1.57 -1.40 -1.78 116.57 120.79 1i7t h LYS 68 Ca 0.30 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1i7t h LYS 68 Cb -0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1i7t h LYS 68 CO -0.06 0.84 0.09 0.00 -0.57 0.00 0.00 179.45 179.75 1i7t h ALA 69 N 0.96 0.29 -0.18 3.86 0.00 -1.02 -0.95 119.26 122.22 1i7t h ALA 69 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1i7t h ALA 69 Cb 0.43 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1i7t h ALA 69 CO 0.01 -0.32 -0.21 0.45 0.00 0.00 0.00 179.25 179.18 1i7t h HIS 70 N 0.21 -0.56 -0.52 0.00 3.86 -0.95 0.13 115.15 117.33 1i7t h HIS 70 Ca 0.11 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.46 1i7t h HIS 70 Cb 0.08 0.27 -0.10 0.00 1.06 0.00 0.00 27.41 28.73 1i7t h HIS 70 CO -0.13 -0.29 -0.14 1.03 0.86 0.00 0.00 177.93 179.26 1i7t h SER 71 N -0.24 -0.52 -0.44 2.45 0.87 -0.74 0.17 113.55 115.10 1i7t h SER 71 Ca 0.12 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1i7t h SER 71 Cb 0.42 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1i7t h SER 71 CO -0.32 -0.18 0.26 -0.61 -0.53 0.00 0.00 176.83 175.44 1i7t h GLN 72 N -0.02 0.59 -0.35 2.24 4.15 -0.45 0.07 115.11 121.35 1i7t h GLN 72 Ca 0.25 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.69 1i7t h GLN 72 Cb 0.39 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 27.89 1i7t h GLN 72 CO -0.54 0.44 -0.15 1.15 -1.93 0.00 0.00 178.83 177.80 1i7t h THR 73 N 0.58 0.52 0.00 2.39 2.02 0.17 0.19 112.91 118.79 1i7t h THR 73 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1i7t h THR 73 Cb 0.00 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1i7t h THR 73 CO -0.03 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.27 1i7t n HIS 74 N -5.33 0.00 0.08 3.16 8.25 0.34 -0.70 115.22 121.02 1i7t n HIS 74 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1i7t n HIS 74 Cb 0.25 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 1i7t n HIS 74 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1i7t h ARG 75 N 0.00 0.16 0.20 -0.41 2.43 0.14 -2.98 114.38 113.92 1i7t h ARG 75 Ca 0.00 -0.21 -0.32 0.00 -0.81 0.00 0.00 59.98 58.64 1i7t h ARG 75 Cb 0.40 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1i7t h ARG 75 CO 0.00 1.00 -1.45 0.28 -1.51 0.00 0.00 179.97 178.29 1i7t h VAL 76 N 0.08 1.29 -0.91 0.20 2.07 -0.34 -3.31 116.25 115.32 1i7t h VAL 76 Ca -0.05 -2.79 0.19 0.00 0.82 0.00 0.00 66.70 64.86 1i7t h VAL 76 Cb 1.63 2.96 -0.11 0.00 -1.52 0.00 0.00 31.29 34.26 1i7t h VAL 76 CO 0.14 0.84 0.48 0.44 0.02 0.00 0.00 177.57 179.49 1i7t h ASP 77 N 0.12 0.55 -0.75 0.57 3.32 -0.87 0.22 116.42 119.57 1i7t h ASP 77 Ca -0.23 0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1i7t h ASP 77 Cb 2.10 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 41.64 1i7t h ASP 77 CO 0.24 0.16 0.48 -0.07 -1.72 0.00 0.00 179.24 178.33 1i7t h LEU 78 N 0.59 0.82 0.56 1.55 3.38 -1.61 -0.95 115.31 119.65 1i7t h LEU 78 Ca 0.53 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.46 1i7t h LEU 78 Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1i7t h LEU 78 CO -0.42 0.58 -0.28 1.23 0.09 0.00 0.00 178.44 179.64 1i7t h GLY 79 N 0.97 -0.81 -0.68 0.83 0.00 -0.73 -1.66 103.07 100.98 1i7t h GLY 79 Ca 0.29 0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.99 1i7t h GLY 79 CO -0.09 -0.29 -0.45 -0.84 0.00 0.00 0.00 176.54 174.87 1i7t h THR 80 N -0.76 0.00 -0.97 4.70 2.02 -0.96 0.04 112.91 116.98 1i7t h THR 80 Ca -0.08 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.21 1i7t h THR 80 Cb 0.58 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.92 1i7t h THR 80 CO 0.12 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.56 1i7t h LEU 81 N -0.06 0.88 -1.66 2.58 3.38 -1.23 0.16 115.31 119.36 1i7t h LEU 81 Ca 0.11 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1i7t h LEU 81 Cb 0.35 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1i7t h LEU 81 CO -0.67 0.49 0.44 -0.09 0.09 0.00 0.00 178.44 178.70 1i7t h ARG 82 N 0.96 0.35 0.17 1.13 2.43 -0.00 -1.02 114.38 118.40 1i7t h ARG 82 Ca 0.46 -0.02 -0.34 0.00 -0.81 0.00 0.00 59.98 59.27 1i7t h ARG 82 Cb 0.45 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1i7t h ARG 82 CO -0.22 0.23 -1.71 0.78 -1.51 0.00 0.00 179.97 177.54 1i7t h GLY 83 N 0.36 0.41 1.68 2.80 0.00 -0.15 0.79 103.07 108.96 1i7t h GLY 83 Ca 0.31 -1.04 0.01 0.00 0.00 0.00 0.00 47.33 46.61 1i7t h GLY 83 CO -0.08 0.91 0.15 -0.97 0.00 0.00 0.00 176.54 176.55 1i7t h TYR 84 N 0.10 0.00 0.00 5.60 0.05 0.38 -1.63 116.97 121.47 1i7t h TYR 84 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1i7t h TYR 84 Cb 2.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.82 1i7t h TYR 84 CO 0.09 0.00 -0.02 0.66 -1.05 0.00 0.00 178.16 177.84 1i7t n TYR 85 N -3.16 0.00 -3.87 4.88 4.01 -0.62 -4.85 117.16 113.54 1i7t n TYR 85 Ca -0.02 -0.61 -0.38 0.00 -0.16 0.00 0.00 57.90 56.73 1i7t n TYR 85 Cb 0.22 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.20 1i7t n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1i7t n ASN 86 N -0.75 -4.77 -4.82 7.72 4.13 -0.61 -4.93 115.26 111.22 1i7t n ASN 86 Ca 0.05 -1.13 -0.32 0.00 1.68 0.00 0.00 54.58 54.86 1i7t n ASN 86 Cb 0.41 -2.41 -0.06 0.00 -1.54 0.00 0.00 39.78 36.18 1i7t n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1i7t s GLN 87 N -6.53 3.15 0.19 3.52 -0.21 0.25 -5.04 119.66 115.01 1i7t s GLN 87 Ca 0.43 -0.47 -0.32 0.00 0.02 0.00 0.00 55.36 55.01 1i7t s GLN 87 Cb -0.20 -2.91 -0.12 0.00 1.00 0.00 0.00 33.01 30.78 1i7t s GLN 87 CO 0.92 0.64 1.73 0.45 -2.12 0.00 0.00 175.29 176.90 1i7t n SER 88 N 0.95 3.93 0.00 5.90 2.88 -1.26 -4.83 113.62 121.18 1i7t n SER 88 Ca -0.11 1.05 0.04 0.00 -1.33 0.00 0.00 58.87 58.52 1i7t n SER 88 Cb 0.52 -1.56 0.22 0.00 -0.75 0.00 0.00 64.21 62.65 1i7t n SER 88 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1i7t n GLU 89 N 4.12 0.78 0.08 -1.46 0.28 -1.26 -2.79 120.64 120.38 1i7t n GLU 89 Ca 0.16 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.95 1i7t n GLU 89 Cb 0.35 -1.15 -0.15 0.00 1.43 0.00 0.00 31.44 31.92 1i7t n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1i7t h ALA 90 N 2.86 0.16 -2.35 -1.84 0.00 -1.99 -3.45 119.26 112.64 1i7t h ALA 90 Ca 0.00 -1.11 -0.48 0.00 0.00 0.00 0.00 54.91 53.32 1i7t h ALA 90 Cb 0.00 0.39 0.05 0.00 0.00 0.00 0.00 17.79 18.22 1i7t h ALA 90 CO 0.00 1.03 0.39 0.20 0.00 0.00 0.00 179.25 180.86 1i7t s GLY 91 N -5.03 2.35 0.08 0.00 0.00 -1.12 -4.60 107.32 99.00 1i7t s GLY 91 Ca -0.14 0.52 -0.17 0.00 0.00 0.00 0.00 44.72 44.94 1i7t s GLY 91 CO 0.86 0.84 0.54 -0.45 0.00 0.00 0.00 173.10 174.89 1i7t s SER 92 N -2.33 6.95 0.29 1.64 0.15 -1.26 -4.71 113.70 114.44 1i7t s SER 92 Ca 0.66 1.16 0.02 0.00 0.70 0.00 0.00 55.95 58.49 1i7t s SER 92 Cb -0.17 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1i7t s SER 92 CO 0.28 0.23 0.10 -1.00 1.20 0.00 0.00 173.24 174.05 1i7t s HIS 93 N -1.21 1.68 0.05 3.44 3.76 -1.23 -4.93 115.29 116.85 1i7t s HIS 93 Ca 0.31 -1.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.12 1i7t s HIS 93 Cb -0.18 -1.02 -0.02 0.00 1.11 0.00 0.00 32.58 32.47 1i7t s HIS 93 CO 0.18 -0.26 -0.14 0.99 -0.85 0.00 0.00 174.74 174.67 1i7t s THR 94 N -3.57 1.08 -0.05 1.30 2.01 -1.26 -1.30 115.64 113.86 1i7t s THR 94 Ca 0.36 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1i7t s THR 94 Cb 0.07 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1i7t s THR 94 CO 0.15 -0.06 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 1i7t s VAL 95 N -0.95 0.64 -0.03 3.82 1.01 -0.19 -1.26 120.40 123.43 1i7t s VAL 95 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1i7t s VAL 95 Cb -0.08 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1i7t s VAL 95 CO 0.01 0.24 -0.16 -1.10 0.00 0.00 0.00 175.10 174.10 1i7t s GLN 96 N 0.80 1.54 -0.02 2.72 -0.21 -0.61 -0.99 119.66 122.89 1i7t s GLN 96 Ca -0.12 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 54.73 1i7t s GLN 96 Cb -0.14 -1.39 -0.00 0.00 1.00 0.00 0.00 33.01 32.48 1i7t s GLN 96 CO 0.01 0.26 -0.09 0.50 -2.12 0.00 0.00 175.29 173.84 1i7t s ARG 97 N -0.05 0.86 -0.16 2.91 3.52 -0.25 -1.85 118.95 123.93 1i7t s ARG 97 Ca -0.01 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.24 1i7t s ARG 97 Cb -0.10 -0.82 0.07 0.00 -1.56 0.00 0.00 34.95 32.54 1i7t s ARG 97 CO 0.01 0.15 0.19 1.41 -0.81 0.00 0.00 175.30 176.25 1i7t s MET 98 N 0.01 0.12 0.10 5.12 -2.45 -0.55 -0.33 119.30 121.33 1i7t s MET 98 Ca -0.00 0.30 0.05 0.00 -1.25 0.00 0.00 55.69 54.79 1i7t s MET 98 Cb -0.06 -0.94 -0.03 0.00 1.25 0.00 0.00 34.83 35.04 1i7t s MET 98 CO 0.00 -0.53 -0.13 1.52 1.05 0.00 0.00 175.02 176.94 1i7t s TYR 99 N 2.29 1.24 -1.60 4.11 -0.85 -1.04 -1.76 117.35 119.75 1i7t s TYR 99 Ca 0.05 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1i7t s TYR 99 Cb -0.14 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.53 1i7t s TYR 99 CO -0.09 0.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.42 1i7t n GLY 100 N 0.72 -1.42 3.07 5.49 0.00 -1.19 -1.05 105.19 110.82 1i7t n GLY 100 Ca -0.17 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 1i7t n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7t s ASP 102 N -2.03 3.44 0.09 0.00 1.01 0.70 -1.60 116.67 118.28 1i7t s ASP 102 Ca -0.05 -0.51 0.05 0.00 0.71 0.00 0.00 52.55 52.76 1i7t s ASP 102 Cb -0.05 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.41 1i7t s ASP 102 CO -0.02 0.26 -0.14 0.68 0.21 0.00 0.00 175.17 176.16 1i7t s VAL 103 N -0.84 1.15 0.40 -1.27 -7.23 0.28 0.39 120.40 113.29 1i7t s VAL 103 Ca 0.13 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1i7t s VAL 103 Cb -0.10 -1.23 0.09 0.00 0.56 0.00 0.00 36.38 35.70 1i7t s VAL 103 CO 0.03 -0.31 0.55 0.61 -0.31 0.00 0.00 175.10 175.67 1i7t n GLY 104 N 0.99 -1.04 0.33 2.32 0.00 -0.88 -1.57 105.19 105.34 1i7t n GLY 104 Ca -0.19 -1.72 0.17 0.00 0.00 0.00 0.00 46.02 44.27 1i7t n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i7t h SER 105 N -0.68 0.00 0.12 1.61 4.64 -1.92 0.37 113.55 117.68 1i7t h SER 105 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1i7t h SER 105 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1i7t h SER 105 CO 0.13 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.19 1i7t n ASP 106 N -3.87 0.00 -1.72 4.97 5.75 -1.26 -4.78 116.55 115.64 1i7t n ASP 106 Ca 0.01 -0.66 -0.19 0.00 -0.01 0.00 0.00 54.79 53.94 1i7t n ASP 106 Cb 0.30 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 1i7t n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1i7t n TRP 107 N -1.07 -0.33 -3.99 2.11 7.02 0.13 -4.99 117.44 116.33 1i7t n TRP 107 Ca 0.18 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.36 1i7t n TRP 107 Cb 0.12 -3.40 -0.05 0.00 -2.42 0.00 0.00 31.31 25.55 1i7t n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i7t s ARG 108 N -4.10 3.16 0.16 -0.99 0.52 -1.26 -4.85 118.95 111.59 1i7t s ARG 108 Ca 0.00 -0.58 -0.34 0.00 -0.52 0.00 0.00 55.73 54.30 1i7t s ARG 108 Cb 0.00 -2.88 -0.15 0.00 0.52 0.00 0.00 34.95 32.44 1i7t s ARG 108 CO 0.00 0.58 1.27 0.34 0.02 0.00 0.00 175.30 177.51 1i7t n PHE 109 N 0.32 1.53 0.00 -0.53 7.35 -1.26 -2.07 117.46 122.80 1i7t n PHE 109 Ca -0.07 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 1i7t n PHE 109 Cb 0.51 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 38.01 1i7t n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i7t n LEU 110 N 2.24 0.00 0.00 -2.13 7.94 0.16 -4.78 117.00 120.44 1i7t n LEU 110 Ca 0.15 -0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1i7t n LEU 110 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1i7t n LEU 110 CO 0.62 0.00 0.00 -2.11 -1.11 0.00 0.00 177.39 174.79 1i7t n ARG 111 N -0.94 0.00 -4.56 1.96 1.85 -1.18 -4.94 116.66 108.86 1i7t n ARG 111 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1i7t n ARG 111 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1i7t n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1i7t s GLY 112 N 0.00 2.37 0.32 2.89 0.00 -1.26 -0.22 107.32 111.43 1i7t s GLY 112 Ca 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 44.72 42.69 1i7t s GLY 112 CO 0.00 -1.98 0.19 -0.19 0.00 0.00 0.00 173.10 171.11 1i7t s TYR 113 N -2.97 1.65 0.00 1.90 1.51 0.13 -4.92 117.35 114.65 1i7t s TYR 113 Ca 0.34 -1.44 0.00 0.00 -1.01 0.00 0.00 57.07 54.96 1i7t s TYR 113 Cb 0.09 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 41.08 1i7t s TYR 113 CO 0.16 -0.59 0.00 1.58 -1.11 0.00 0.00 175.55 175.59 1i7t n HIS 114 N -0.64 0.00 -4.29 2.71 -0.00 -1.22 -3.19 115.22 108.59 1i7t n HIS 114 Ca 0.02 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.98 1i7t n HIS 114 Cb 0.64 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.39 1i7t n HIS 114 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1i7t s GLN 115 N 0.00 1.14 0.35 1.57 -0.21 -0.72 -1.69 119.66 120.09 1i7t s GLN 115 Ca 0.00 -1.24 0.05 0.00 0.02 0.00 0.00 55.36 54.19 1i7t s GLN 115 Cb 0.00 -1.25 -0.07 0.00 1.00 0.00 0.00 33.01 32.69 1i7t s GLN 115 CO 0.00 0.27 0.03 0.71 -2.12 0.00 0.00 175.29 174.18 1i7t s TYR 116 N -1.62 2.18 -0.29 0.91 2.02 0.13 -1.48 117.35 119.20 1i7t s TYR 116 Ca 0.09 -0.82 -0.14 0.00 -0.37 0.00 0.00 57.07 55.83 1i7t s TYR 116 Cb -0.08 -1.46 0.12 0.00 -0.40 0.00 0.00 41.96 40.14 1i7t s TYR 116 CO 0.05 0.21 0.77 0.00 -1.57 0.00 0.00 175.55 175.00 1i7t s ALA 117 N -3.04 -2.12 -0.22 3.71 0.00 -0.77 -1.76 121.76 117.56 1i7t s ALA 117 Ca 0.35 2.31 -0.08 0.00 0.00 0.00 0.00 51.96 54.55 1i7t s ALA 117 Cb 0.09 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1i7t s ALA 117 CO 0.16 -0.65 0.07 -0.47 0.00 0.00 0.00 175.76 174.88 1i7t s TYR 118 N 2.14 3.17 -1.63 0.00 5.04 -0.37 -1.57 117.35 124.14 1i7t s TYR 118 Ca -0.07 -0.12 -0.14 0.00 -2.44 0.00 0.00 57.07 54.29 1i7t s TYR 118 Cb -0.07 -2.17 0.12 0.00 0.35 0.00 0.00 41.96 40.19 1i7t s TYR 118 CO -0.18 -0.08 0.73 -0.25 -1.34 0.00 0.00 175.55 174.43 1i7t n ASP 119 N 4.22 -2.86 0.00 4.32 8.00 -0.39 -1.20 116.55 128.65 1i7t n ASP 119 Ca -0.16 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1i7t n ASP 119 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1i7t n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7t n GLY 120 N -1.55 2.05 3.74 0.44 0.00 -1.26 -5.02 105.19 103.59 1i7t n GLY 120 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1i7t n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7t s LYS 121 N -0.26 3.64 -0.08 1.61 1.02 -0.34 -5.03 119.74 120.30 1i7t s LYS 121 Ca 0.00 -0.26 -0.38 0.00 0.02 0.00 0.00 55.97 55.35 1i7t s LYS 121 Cb 0.00 -3.16 -0.16 0.00 -0.52 0.00 0.00 37.83 33.99 1i7t s LYS 121 CO 0.00 0.53 1.51 -0.25 -0.92 0.00 0.00 175.35 176.23 1i7t n ASP 122 N 2.73 1.93 -0.00 2.83 8.00 -1.26 -1.23 116.55 129.55 1i7t n ASP 122 Ca -0.18 1.10 -0.00 0.00 0.71 0.00 0.00 54.79 56.42 1i7t n ASP 122 Cb 0.53 -1.16 -0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1i7t n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7t n TYR 123 N 3.77 0.00 -3.85 1.24 9.36 -0.72 -4.76 117.16 122.19 1i7t n TYR 123 Ca 0.22 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.32 1i7t n TYR 123 Cb 0.16 -0.02 -0.13 0.00 -0.63 0.00 0.00 39.34 38.72 1i7t n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i7t s ILE 124 N -1.09 0.02 -0.00 2.97 2.07 -1.25 -2.99 121.20 120.93 1i7t s ILE 124 Ca -0.01 -0.13 -0.04 0.00 -1.41 0.00 0.00 60.65 59.06 1i7t s ILE 124 Cb 0.00 -0.17 -0.00 0.00 0.13 0.00 0.00 42.46 42.42 1i7t s ILE 124 CO 0.02 -0.07 0.08 0.00 -1.91 0.00 0.00 174.94 173.06 1i7t s ALA 125 N -0.18 -0.18 0.09 1.50 0.00 -1.13 0.19 121.76 122.05 1i7t s ALA 125 Ca -0.02 -0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 1i7t s ALA 125 Cb -0.02 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 1i7t s ALA 125 CO 0.00 -0.16 0.90 -1.17 0.00 0.00 0.00 175.76 175.33 1i7t s LEU 126 N -1.08 4.49 0.94 0.00 2.96 -0.68 -0.91 118.68 124.38 1i7t s LEU 126 Ca -0.12 1.69 -0.14 0.00 -0.22 0.00 0.00 54.13 55.34 1i7t s LEU 126 Cb -0.07 -3.48 0.16 0.00 0.50 0.00 0.00 46.19 43.31 1i7t s LEU 126 CO 0.00 -0.03 1.20 -0.54 -1.32 0.00 0.00 176.35 175.66 1i7t s LYS 127 N -0.05 0.91 0.19 1.98 1.02 -0.52 -4.77 119.74 118.50 1i7t s LYS 127 Ca 0.44 -0.02 -0.12 0.00 0.02 0.00 0.00 55.97 56.29 1i7t s LYS 127 Cb -0.22 -1.84 0.13 0.00 -0.52 0.00 0.00 37.83 35.37 1i7t s LYS 127 CO 0.28 -2.29 1.85 0.93 -0.92 0.00 0.00 175.35 175.20 1i7t h GLU 128 N -1.56 0.82 0.00 1.68 5.08 -1.91 -1.69 114.58 117.00 1i7t h GLU 128 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1i7t h GLU 128 Cb 1.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1i7t h GLU 128 CO 0.52 0.54 0.10 -0.40 -1.00 0.00 0.00 179.01 178.77 1i7t n ASP 129 N -4.66 0.00 -1.46 1.42 5.68 -1.26 -4.73 116.55 111.54 1i7t n ASP 129 Ca 0.05 0.40 -0.17 0.00 -0.50 0.00 0.00 54.79 54.58 1i7t n ASP 129 Cb 0.04 -0.40 -0.07 0.00 -1.14 0.00 0.00 41.12 39.54 1i7t n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i7t n LEU 130 N -1.40 -1.19 0.00 -2.12 4.77 -0.64 -4.70 117.00 111.71 1i7t n LEU 130 Ca -0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1i7t n LEU 130 Cb 0.10 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 1i7t n LEU 130 CO 0.00 -0.89 0.06 -1.14 -1.33 0.00 0.00 177.39 174.09 1i7t n ARG 131 N -2.06 2.51 -4.22 3.23 0.63 -1.26 -4.64 116.66 110.85 1i7t n ARG 131 Ca -0.17 -0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 56.50 1i7t n ARG 131 Cb 0.56 -0.51 -0.09 0.00 0.45 0.00 0.00 32.46 32.86 1i7t n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1i7t s SER 132 N -0.39 0.58 0.14 6.15 1.04 -1.26 -4.97 113.70 114.98 1i7t s SER 132 Ca 0.00 -1.48 0.06 0.00 0.48 0.00 0.00 55.95 55.01 1i7t s SER 132 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1i7t s SER 132 CO 0.00 -0.92 -0.13 0.26 0.98 0.00 0.00 173.24 173.43 1i7t s TRP 133 N -3.94 1.40 -0.41 5.02 0.52 -1.26 -1.43 118.94 118.84 1i7t s TRP 133 Ca 0.39 -0.60 -0.06 0.00 0.02 0.00 0.00 56.10 55.85 1i7t s TRP 133 Cb 0.05 -0.72 0.10 0.00 -1.15 0.00 0.00 33.47 31.75 1i7t s TRP 133 CO 0.16 0.15 0.22 0.99 0.02 0.00 0.00 176.95 178.50 1i7t s THR 134 N -2.50 3.68 -0.01 2.01 2.01 -0.09 -4.90 115.64 115.84 1i7t s THR 134 Ca 0.12 -1.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.21 1i7t s THR 134 Cb -0.03 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 1i7t s THR 134 CO 0.03 -0.59 0.45 0.00 -0.69 0.00 0.00 174.62 173.82 1i7t s ALA 135 N 1.27 3.64 -0.15 7.40 0.00 -1.26 -2.84 121.76 129.83 1i7t s ALA 135 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1i7t s ALA 135 Cb -0.23 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 1i7t s ALA 135 CO -0.01 0.39 0.07 0.00 0.00 0.00 0.00 175.76 176.21 1i7t h ALA 136 N 5.00 0.06 -3.66 0.00 0.00 -1.83 -3.46 119.26 115.37 1i7t h ALA 136 Ca -0.49 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1i7t h ALA 136 Cb 1.21 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1i7t h ALA 136 CO 0.64 0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.87 1i7t n ASP 137 N -4.61 1.95 -0.21 0.00 5.68 -1.26 -4.98 116.55 113.13 1i7t n ASP 137 Ca -0.12 -0.68 -0.05 0.00 -0.50 0.00 0.00 54.79 53.45 1i7t n ASP 137 Cb 0.33 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.44 1i7t n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1i7t h MET 138 N 0.00 1.01 0.88 0.11 2.86 -1.98 0.72 114.93 118.53 1i7t h MET 138 Ca 0.00 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1i7t h MET 138 Cb 0.00 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.52 1i7t h MET 138 CO 0.00 0.87 -0.44 0.00 1.06 0.00 0.00 176.91 178.40 1i7t h ALA 139 N 1.24 -1.21 -0.65 6.32 0.00 -1.96 0.10 119.26 123.10 1i7t h ALA 139 Ca 0.21 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1i7t h ALA 139 Cb 0.29 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1i7t h ALA 139 CO -0.01 -1.18 0.43 0.00 0.00 0.00 0.00 179.25 178.49 1i7t h ALA 140 N -1.09 1.89 -0.68 0.00 0.00 -1.83 -0.65 119.26 116.91 1i7t h ALA 140 Ca -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1i7t h ALA 140 Cb 0.93 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1i7t h ALA 140 CO 0.19 -0.02 0.22 1.96 0.00 0.00 0.00 179.25 181.60 1i7t h GLN 141 N 0.55 1.05 -0.34 0.00 4.20 -0.23 0.25 115.11 120.59 1i7t h GLN 141 Ca 0.30 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1i7t h GLN 141 Cb 0.44 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1i7t h GLN 141 CO -0.09 0.91 0.02 1.15 -0.67 0.00 0.00 178.83 180.14 1i7t h THR 142 N 0.99 1.19 -0.18 -0.54 2.02 0.70 -0.22 112.91 116.86 1i7t h THR 142 Ca 0.22 -0.74 -0.16 0.00 0.77 0.00 0.00 66.41 66.50 1i7t h THR 142 Cb 0.29 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1i7t h THR 142 CO -0.01 0.26 -0.52 0.74 0.37 0.00 0.00 175.52 176.36 1i7t h THR 143 N 0.50 1.32 -0.97 3.16 2.02 -0.71 -2.65 112.91 115.58 1i7t h THR 143 Ca 0.11 -1.76 0.11 0.00 0.77 0.00 0.00 66.41 65.65 1i7t h THR 143 Cb 0.30 1.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 1i7t h THR 143 CO 0.01 0.55 0.62 0.50 0.37 0.00 0.00 175.52 177.56 1i7t h LYS 144 N 0.35 0.93 0.37 6.66 3.64 0.19 -0.50 116.57 128.21 1i7t h LYS 144 Ca -0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1i7t h LYS 144 Cb 1.13 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1i7t h LYS 144 CO 0.11 0.61 -0.18 0.45 -2.27 0.00 0.00 179.45 178.17 1i7t h HIS 145 N 0.96 -0.47 -0.23 1.91 3.86 -0.90 -0.92 115.15 119.36 1i7t h HIS 145 Ca 0.47 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.72 1i7t h HIS 145 Cb 0.47 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 1i7t h HIS 145 CO -0.00 -0.29 -0.14 0.87 0.86 0.00 0.00 177.93 179.23 1i7t h LYS 146 N -0.51 -0.12 0.00 2.45 1.57 -0.94 -0.11 116.57 118.91 1i7t h LYS 146 Ca -0.05 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i7t h LYS 146 Cb 0.39 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1i7t h LYS 146 CO 0.08 -0.08 -0.01 -1.49 -0.57 0.00 0.00 179.45 177.39 1i7t h TRP 147 N -0.12 0.00 0.01 -1.35 4.06 -0.99 -0.92 115.95 116.64 1i7t h TRP 147 Ca 0.13 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.93 1i7t h TRP 147 Cb 0.32 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1i7t h TRP 147 CO -0.31 0.01 -0.58 0.93 -3.56 0.00 0.00 178.44 174.94 1i7t h GLU 148 N 0.00 0.37 0.16 0.49 5.08 0.42 -1.02 114.58 120.08 1i7t h GLU 148 Ca -0.00 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1i7t h GLU 148 Cb 0.09 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1i7t h GLU 148 CO 0.00 1.10 -0.08 0.00 -1.00 0.00 0.00 179.01 179.03 1i7t h ALA 149 N 0.29 -0.22 0.00 3.43 0.00 -0.94 -2.71 119.26 119.11 1i7t h ALA 149 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1i7t h ALA 149 Cb 1.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1i7t h ALA 149 CO 0.11 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 178.93 1i7t n ALA 150 N -2.39 1.16 -3.88 0.00 0.00 -0.39 -4.80 120.51 110.20 1i7t n ALA 150 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1i7t n ALA 150 Cb 0.23 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1i7t n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i7t n HIS 151 N -1.29 -2.32 -0.17 0.00 -0.00 -1.02 -4.89 115.22 105.52 1i7t n HIS 151 Ca 0.00 0.91 -0.07 0.00 -0.00 0.00 0.00 57.72 58.56 1i7t n HIS 151 Cb 0.01 -4.09 0.02 0.00 -0.00 0.00 0.00 29.99 25.93 1i7t n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i7t h VAL 152 N -2.12 1.17 -0.32 1.59 2.07 -1.46 -3.17 116.25 114.00 1i7t h VAL 152 Ca -0.58 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1i7t h VAL 152 Cb 1.37 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1i7t h VAL 152 CO 0.66 0.18 -0.12 0.00 0.02 0.00 0.00 177.57 178.30 1i7t h ALA 153 N 1.12 0.15 -0.62 1.67 0.00 -1.91 0.28 119.26 119.95 1i7t h ALA 153 Ca 0.18 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1i7t h ALA 153 Cb 0.04 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1i7t h ALA 153 CO -0.03 -0.51 0.28 0.93 0.00 0.00 0.00 179.25 179.92 1i7t h GLU 154 N -0.06 0.48 -0.15 0.00 3.07 -1.81 0.13 114.58 116.24 1i7t h GLU 154 Ca 0.16 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1i7t h GLU 154 Cb 0.31 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1i7t h GLU 154 CO -0.37 0.32 0.05 1.96 -1.40 0.00 0.00 179.01 179.57 1i7t h GLN 155 N 0.49 0.23 -0.34 2.33 4.20 -1.34 -2.18 115.11 118.50 1i7t h GLN 155 Ca 0.30 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.00 1i7t h GLN 155 Cb 0.32 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1i7t h GLN 155 CO -0.26 0.35 0.23 1.25 -0.67 0.00 0.00 178.83 179.73 1i7t h LEU 156 N 0.06 0.27 -0.51 1.46 7.12 -0.33 -1.87 115.31 121.51 1i7t h LEU 156 Ca 0.05 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 1i7t h LEU 156 Cb 0.22 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.26 1i7t h LEU 156 CO -0.00 0.19 0.28 -0.09 -0.13 0.00 0.00 178.44 178.68 1i7t h ARG 157 N 0.31 0.72 -0.33 1.25 2.43 -0.14 0.19 114.38 118.82 1i7t h ARG 157 Ca 0.14 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1i7t h ARG 157 Cb 0.17 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1i7t h ARG 157 CO -0.03 0.56 0.21 0.00 -1.51 0.00 0.00 179.97 179.20 1i7t h ALA 158 N 1.12 0.42 0.11 2.80 0.00 -1.03 -0.20 119.26 122.48 1i7t h ALA 158 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i7t h ALA 158 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1i7t h ALA 158 CO -0.03 -0.10 -0.10 -0.92 0.00 0.00 0.00 179.25 178.11 1i7t h TYR 159 N 0.44 -0.25 -0.20 0.00 3.20 -1.12 0.13 116.97 119.18 1i7t h TYR 159 Ca 0.12 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1i7t h TYR 159 Cb -0.02 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1i7t h TYR 159 CO -0.05 -0.15 0.08 -0.07 -1.64 0.00 0.00 178.16 176.34 1i7t h LEU 160 N -0.23 0.27 0.00 2.82 3.38 -0.73 0.36 115.31 121.18 1i7t h LEU 160 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1i7t h LEU 160 Cb 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1i7t h LEU 160 CO -0.02 0.35 -0.28 -0.62 0.09 0.00 0.00 178.44 177.97 1i7t n GLU 161 N -4.84 0.05 0.00 1.13 1.02 -0.11 -3.84 120.64 114.05 1i7t n GLU 161 Ca -0.04 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1i7t n GLU 161 Cb 0.12 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1i7t n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i7t n GLY 162 N 1.47 0.98 0.23 0.62 0.00 0.45 -4.70 105.19 104.24 1i7t n GLY 162 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1i7t n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i7t n THR 163 N 0.00 -0.29 0.10 2.61 -1.04 -1.17 -0.45 114.28 114.04 1i7t n THR 163 Ca 0.00 1.44 -0.15 0.00 -2.04 0.00 0.00 64.05 63.30 1i7t n THR 163 Cb 0.00 -1.95 -0.08 0.00 -1.82 0.00 0.00 70.33 66.48 1i7t n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7t h VAL 165 N -0.67 0.83 -0.64 0.00 2.07 -0.86 -2.06 116.25 114.91 1i7t h VAL 165 Ca 0.02 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1i7t h VAL 165 Cb 0.71 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1i7t h VAL 165 CO -0.28 0.05 0.42 -0.33 0.02 0.00 0.00 177.57 177.46 1i7t h GLU 166 N 0.27 0.63 0.03 1.57 5.08 -0.79 -0.58 114.58 120.79 1i7t h GLU 166 Ca 0.20 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 1i7t h GLU 166 Cb 0.22 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1i7t h GLU 166 CO -0.23 0.42 -1.02 -1.49 -1.00 0.00 0.00 179.01 175.68 1i7t h TRP 167 N 0.65 0.65 0.35 4.33 4.06 -0.71 -1.99 115.95 123.29 1i7t h TRP 167 Ca 0.28 -0.38 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 1i7t h TRP 167 Cb 0.25 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1i7t h TRP 167 CO -0.00 1.21 -0.30 1.25 -3.56 0.00 0.00 178.44 177.04 1i7t h LEU 168 N 0.22 -0.79 -0.43 -4.49 5.85 -0.65 0.24 115.31 115.26 1i7t h LEU 168 Ca -0.10 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1i7t h LEU 168 Cb 1.68 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.89 1i7t h LEU 168 CO 0.18 -0.44 -0.05 0.03 -0.34 0.00 0.00 178.44 177.82 1i7t h ARG 169 N -0.66 0.05 0.16 1.25 3.08 -1.15 0.63 114.38 117.73 1i7t h ARG 169 Ca -0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1i7t h ARG 169 Cb 0.58 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1i7t h ARG 169 CO -0.03 0.04 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.51 1i7t h ARG 170 N 0.06 -0.54 -0.81 0.04 2.43 -0.80 0.32 114.38 115.09 1i7t h ARG 170 Ca 0.21 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.50 1i7t h ARG 170 Cb 0.32 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1i7t h ARG 170 CO -0.40 -0.36 0.47 1.88 -1.51 0.00 0.00 179.97 180.06 1i7t h TYR 171 N -0.56 0.85 -0.74 2.20 0.05 0.08 0.83 116.97 119.70 1i7t h TYR 171 Ca 0.02 0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.93 1i7t h TYR 171 Cb 0.57 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 1i7t h TYR 171 CO -0.26 0.37 0.37 -0.07 -1.05 0.00 0.00 178.16 177.52 1i7t h LEU 172 N 0.81 0.49 0.54 3.88 3.38 0.15 -0.23 115.31 124.33 1i7t h LEU 172 Ca 0.38 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 1i7t h LEU 172 Cb 0.30 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1i7t h LEU 172 CO -0.23 0.28 -0.26 -0.33 0.09 0.00 0.00 178.44 177.99 1i7t h GLU 173 N 0.63 -0.70 0.00 1.13 4.39 0.42 -2.53 114.58 117.91 1i7t h GLU 173 Ca 0.36 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1i7t h GLU 173 Cb 0.39 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1i7t h GLU 173 CO -0.27 -0.47 0.21 -0.91 -1.16 0.00 0.00 179.01 176.41 1i7t h ASN 174 N -1.17 0.00 0.00 1.42 -0.26 -0.78 -0.30 115.58 114.50 1i7t h ASN 174 Ca -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 1i7t h ASN 174 Cb 0.56 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 1i7t h ASN 174 CO 0.12 0.00 -0.29 0.61 -1.06 0.00 0.00 177.43 176.81 1i7t n GLY 175 N -1.28 4.59 0.34 2.83 0.00 -0.11 -4.85 105.19 106.72 1i7t n GLY 175 Ca -0.01 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 1i7t n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i7t n LYS 176 N -1.14 -0.24 -0.18 1.61 4.81 -0.12 -0.29 118.16 122.61 1i7t n LYS 176 Ca 0.16 1.34 0.19 0.00 -0.87 0.00 0.00 58.31 59.13 1i7t n LYS 176 Cb 0.69 -1.99 0.55 0.00 0.02 0.00 0.00 35.03 34.29 1i7t n LYS 176 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1i7t h GLU 177 N 0.00 0.32 0.00 1.64 9.09 -1.89 -1.98 114.58 121.76 1i7t h GLU 177 Ca 0.28 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.67 1i7t h GLU 177 Cb 0.49 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1i7t h GLU 177 CO -0.86 0.21 0.00 2.41 0.05 0.00 0.00 179.01 180.82 1i7t n THR 178 N -4.46 0.00 -0.33 -1.06 -1.04 0.60 -4.26 114.28 103.73 1i7t n THR 178 Ca 0.16 0.18 0.21 0.00 -2.04 0.00 0.00 64.05 62.57 1i7t n THR 178 Cb 0.65 -1.18 0.43 0.00 -1.82 0.00 0.00 70.33 68.42 1i7t n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1i7t h LEU 179 N 0.00 0.45 -3.15 -4.42 3.38 -1.15 0.22 115.31 110.63 1i7t h LEU 179 Ca 0.00 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1i7t h LEU 179 Cb 0.00 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i7t h LEU 179 CO 0.00 -0.11 0.05 0.00 0.09 0.00 0.00 178.44 178.47 1i7t n GLN 180 N -5.06 4.00 -2.73 1.13 6.02 -0.75 -4.93 117.38 115.05 1i7t n GLN 180 Ca 0.29 -2.57 -0.21 0.00 -0.01 0.00 0.00 57.00 54.51 1i7t n GLN 180 Cb 0.90 -2.12 0.05 0.00 1.02 0.00 0.00 30.24 30.10 1i7t n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i7t s ARG 181 N -2.47 2.38 -0.19 -1.09 1.70 0.76 -4.93 118.95 115.12 1i7t s ARG 181 Ca 0.45 -1.03 -0.16 0.00 -0.47 0.00 0.00 55.73 54.52 1i7t s ARG 181 Cb 0.35 -2.52 0.05 0.00 -0.57 0.00 0.00 34.95 32.26 1i7t s ARG 181 CO 0.13 -0.81 0.49 0.99 -1.08 0.00 0.00 175.30 175.02 1i7t s THR 182 N -2.76 -0.00 -0.25 4.99 2.01 -1.26 -4.69 115.64 113.68 1i7t s THR 182 Ca 0.59 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1i7t s THR 182 Cb -0.09 -0.69 0.08 0.00 0.01 0.00 0.00 72.50 71.81 1i7t s THR 182 CO 0.39 0.00 0.07 -1.81 -0.69 0.00 0.00 174.62 172.58 1i7t s ASP 183 N 0.42 3.44 0.48 3.53 1.01 -0.54 -4.92 116.67 120.08 1i7t s ASP 183 Ca -0.01 -1.20 -0.24 0.00 0.71 0.00 0.00 52.55 51.82 1i7t s ASP 183 Cb -0.04 -0.69 -0.08 0.00 1.01 0.00 0.00 42.92 43.12 1i7t s ASP 183 CO -0.01 -0.36 1.26 0.00 0.21 0.00 0.00 175.17 176.27 1i7t n ALA 184 N 4.98 1.27 -1.40 5.23 0.00 -1.25 -2.13 120.51 127.20 1i7t n ALA 184 Ca -0.06 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1i7t n ALA 184 Cb 0.44 -2.28 0.08 0.00 0.00 0.00 0.00 19.45 17.69 1i7t n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i7t s PRO 185 N -2.47 2.36 -0.51 0.00 0.04 -1.26 -4.67 135.00 128.49 1i7t s PRO 185 Ca 0.66 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1i7t s PRO 185 Cb -0.47 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.31 1i7t s PRO 185 CO 0.54 -1.63 0.44 0.15 0.04 0.00 0.00 177.00 176.54 1i7t s LYS 186 N -3.98 2.90 -0.13 4.56 3.01 0.96 -4.83 119.74 122.23 1i7t s LYS 186 Ca 0.71 -1.60 -0.13 0.00 -1.01 0.00 0.00 55.97 53.94 1i7t s LYS 186 Cb -0.26 -4.18 -0.05 0.00 -1.01 0.00 0.00 37.83 32.34 1i7t s LYS 186 CO 0.44 -1.21 0.29 0.95 0.51 0.00 0.00 175.35 176.33 1i7t s THR 187 N 1.57 5.29 0.18 2.17 -4.23 -1.25 -1.74 115.64 117.63 1i7t s THR 187 Ca 0.04 0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 1i7t s THR 187 Cb -0.28 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 1i7t s THR 187 CO 0.03 0.46 0.23 -1.38 -0.54 0.00 0.00 174.62 173.42 1i7t s HIS 188 N -0.03 0.66 -0.03 3.99 -3.43 -0.90 -4.96 115.29 110.58 1i7t s HIS 188 Ca 0.17 -0.99 0.05 0.00 -0.80 0.00 0.00 55.06 53.49 1i7t s HIS 188 Cb -0.13 -0.22 -0.01 0.00 -1.43 0.00 0.00 32.58 30.79 1i7t s HIS 188 CO 0.05 -0.70 -0.19 1.41 -2.00 0.00 0.00 174.74 173.32 1i7t s MET 189 N -4.03 1.75 0.05 -0.38 1.75 -1.26 -0.10 119.30 117.08 1i7t s MET 189 Ca 0.24 -0.66 0.09 0.00 -1.25 0.00 0.00 55.69 54.11 1i7t s MET 189 Cb 0.04 -1.58 -0.03 0.00 2.84 0.00 0.00 34.83 36.11 1i7t s MET 189 CO 0.04 0.32 -0.24 0.95 -0.65 0.00 0.00 175.02 175.45 1i7t s THR 190 N -0.17 2.38 -0.21 10.11 -4.23 -0.13 -4.98 115.64 118.41 1i7t s THR 190 Ca 0.01 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1i7t s THR 190 Cb -0.10 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.83 1i7t s THR 190 CO 0.01 0.32 0.03 -2.28 -0.54 0.00 0.00 174.62 172.16 1i7t s HIS 191 N -0.88 1.24 -0.10 3.99 2.46 -1.26 -1.26 115.29 119.48 1i7t s HIS 191 Ca 0.13 -1.03 0.01 0.00 0.47 0.00 0.00 55.06 54.64 1i7t s HIS 191 Cb -0.10 -1.14 0.02 0.00 -0.13 0.00 0.00 32.58 31.23 1i7t s HIS 191 CO 0.04 -0.65 -0.11 -3.38 -2.47 0.00 0.00 174.74 168.16 1i7t s HIS 192 N 1.79 1.67 0.16 3.88 -3.43 -1.02 -4.96 115.29 113.38 1i7t s HIS 192 Ca -0.01 -0.79 -0.31 0.00 -0.80 0.00 0.00 55.06 53.15 1i7t s HIS 192 Cb -0.17 -1.28 -0.09 0.00 -1.43 0.00 0.00 32.58 29.61 1i7t s HIS 192 CO -0.09 -0.46 1.49 0.00 -2.00 0.00 0.00 174.74 173.68 1i7t s ALA 193 N 1.23 3.70 -0.03 -1.38 0.00 -1.26 -0.60 121.76 123.41 1i7t s ALA 193 Ca -0.03 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1i7t s ALA 193 Cb -0.14 -3.59 -0.26 0.00 0.00 0.00 0.00 23.12 19.13 1i7t s ALA 193 CO -0.04 -0.72 0.73 -0.24 0.00 0.00 0.00 175.76 175.50 1i7t h VAL 194 N 4.03 1.00 -3.15 0.00 3.04 -1.57 -3.46 116.25 116.14 1i7t h VAL 194 Ca -0.43 -2.71 -0.12 0.00 -1.01 0.00 0.00 66.70 62.43 1i7t h VAL 194 Cb 1.21 2.64 -0.02 0.00 -2.01 0.00 0.00 31.29 33.10 1i7t h VAL 194 CO 0.88 0.77 0.04 -1.54 -1.01 0.00 0.00 177.57 176.71 1i7t n SER 195 N -3.36 -1.36 0.00 3.17 3.41 -1.11 -4.99 113.62 109.37 1i7t n SER 195 Ca -0.19 -2.32 0.03 0.00 -0.26 0.00 0.00 58.87 56.14 1i7t n SER 195 Cb 1.04 2.38 0.20 0.00 -0.26 0.00 0.00 64.21 67.57 1i7t n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1i7t n ASP 196 N -1.58 0.00 -0.07 4.04 5.75 -1.26 -2.98 116.55 120.45 1i7t n ASP 196 Ca -0.03 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1i7t n ASP 196 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1i7t n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i7t n HIS 197 N -0.65 0.00 -3.68 2.11 1.44 -1.26 -5.01 115.22 108.18 1i7t n HIS 197 Ca 0.05 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.64 1i7t n HIS 197 Cb 0.02 0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.09 1i7t n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1i7t s GLU 198 N 0.00 0.94 -0.01 -1.40 2.02 -1.16 -2.37 118.70 116.72 1i7t s GLU 198 Ca 0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.41 1i7t s GLU 198 Cb 0.00 0.42 0.01 0.00 0.10 0.00 0.00 34.13 34.65 1i7t s GLU 198 CO 0.00 -0.33 0.16 0.00 0.02 0.00 0.00 175.26 175.11 1i7t s ALA 199 N -2.91 -0.40 -0.11 5.21 0.00 0.29 -1.44 121.76 122.40 1i7t s ALA 199 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1i7t s ALA 199 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1i7t s ALA 199 CO -0.06 -0.20 0.28 0.99 0.00 0.00 0.00 175.76 176.77 1i7t s THR 200 N -1.23 5.29 -0.29 0.00 2.01 0.23 0.03 115.64 121.68 1i7t s THR 200 Ca -0.13 0.52 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 1i7t s THR 200 Cb -0.07 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1i7t s THR 200 CO 0.02 0.49 0.02 -0.22 -0.69 0.00 0.00 174.62 174.24 1i7t s LEU 201 N -0.28 3.70 -0.18 4.42 2.96 -0.29 -2.43 118.68 126.58 1i7t s LEU 201 Ca 0.17 -0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 53.11 1i7t s LEU 201 Cb -0.14 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1i7t s LEU 201 CO 0.06 -0.20 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.26 1i7t s ARG 202 N 1.38 3.61 -0.23 1.98 6.06 -0.39 -1.79 118.95 129.56 1i7t s ARG 202 Ca -0.00 -0.54 -0.06 0.00 -2.50 0.00 0.00 55.73 52.63 1i7t s ARG 202 Cb -0.18 -2.98 -0.03 0.00 0.06 0.00 0.00 34.95 31.82 1i7t s ARG 202 CO -0.01 0.10 0.04 0.00 -2.50 0.00 0.00 175.30 172.93 1i7t s TRP 204 N 1.41 3.31 -0.31 0.00 0.52 0.86 -2.50 118.94 122.23 1i7t s TRP 204 Ca 0.05 0.28 -0.00 0.00 0.02 0.00 0.00 56.10 56.45 1i7t s TRP 204 Cb -0.15 -1.81 0.10 0.00 -1.15 0.00 0.00 33.47 30.46 1i7t s TRP 204 CO 0.02 0.56 0.09 0.00 0.02 0.00 0.00 176.95 177.64 1i7t s ALA 205 N -1.00 1.71 0.28 0.98 0.00 -0.10 -2.13 121.76 121.50 1i7t s ALA 205 Ca 0.16 -1.75 0.10 0.00 0.00 0.00 0.00 51.96 50.47 1i7t s ALA 205 Cb -0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1i7t s ALA 205 CO 0.06 -1.64 -0.05 -0.51 0.00 0.00 0.00 175.76 173.62 1i7t s LEU 206 N 1.52 3.02 -1.31 0.00 1.43 -0.71 -1.06 118.68 121.58 1i7t s LEU 206 Ca 0.09 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 1i7t s LEU 206 Cb -0.17 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1i7t s LEU 206 CO -0.22 -0.03 0.53 -0.24 0.23 0.00 0.00 176.35 176.62 1i7t n SER 207 N -0.84 -2.38 -4.51 2.29 2.88 -1.07 -0.03 113.62 109.95 1i7t n SER 207 Ca -0.06 -1.10 -0.25 0.00 -1.33 0.00 0.00 58.87 56.13 1i7t n SER 207 Cb 0.60 -2.72 -0.10 0.00 -0.75 0.00 0.00 64.21 61.24 1i7t n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i7t s PHE 208 N -3.78 2.43 -0.22 0.66 -0.12 -0.61 -4.63 117.98 111.72 1i7t s PHE 208 Ca 0.24 -0.30 -0.16 0.00 -0.05 0.00 0.00 56.93 56.66 1i7t s PHE 208 Cb -0.10 -1.13 0.06 0.00 -0.63 0.00 0.00 43.02 41.22 1i7t s PHE 208 CO 0.91 0.60 0.55 -0.47 -0.05 0.00 0.00 175.22 176.77 1i7t s TYR 209 N -2.09 -0.71 0.69 3.49 5.04 -0.91 -0.64 117.35 122.22 1i7t s TYR 209 Ca 0.27 1.58 -0.12 0.00 -2.44 0.00 0.00 57.07 56.37 1i7t s TYR 209 Cb -0.07 0.31 0.17 0.00 0.35 0.00 0.00 41.96 42.72 1i7t s TYR 209 CO 0.15 -0.35 0.74 -0.35 -1.34 0.00 0.00 175.55 174.39 1i7t n PRO 210 N 3.42 -1.64 0.26 4.97 -0.04 -1.26 -1.47 135.00 139.24 1i7t n PRO 210 Ca -0.17 -1.17 0.13 0.00 -0.04 0.00 0.00 63.50 62.25 1i7t n PRO 210 Cb 0.56 -0.94 0.70 0.00 -0.04 0.00 0.00 33.50 33.79 1i7t n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7t h ALA 211 N -2.19 1.22 -2.16 0.55 0.00 -1.96 -3.45 119.26 111.27 1i7t h ALA 211 Ca -0.26 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 53.93 1i7t h ALA 211 Cb 0.76 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.57 1i7t h ALA 211 CO 0.18 0.16 0.83 0.39 0.00 0.00 0.00 179.25 180.81 1i7t n GLU 212 N -3.56 2.06 -3.49 0.00 -0.58 -1.26 -4.95 120.64 108.86 1i7t n GLU 212 Ca -0.01 0.75 -0.11 0.00 -0.42 0.00 0.00 57.16 57.37 1i7t n GLU 212 Cb 0.26 -2.52 -0.03 0.00 -0.57 0.00 0.00 31.44 28.59 1i7t n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1i7t s ILE 213 N 1.57 0.00 -0.18 -3.67 2.07 -1.26 -4.62 121.20 115.10 1i7t s ILE 213 Ca 0.82 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 60.04 1i7t s ILE 213 Cb -0.71 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 40.94 1i7t s ILE 213 CO 0.42 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.59 1i7t s THR 214 N -2.82 0.47 -0.24 4.00 2.01 -0.54 -4.98 115.64 113.54 1i7t s THR 214 Ca 0.01 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 1i7t s THR 214 Cb -0.01 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1i7t s THR 214 CO -0.07 -0.15 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.43 1i7t s LEU 215 N 1.89 3.11 0.05 4.42 2.96 -1.26 -0.50 118.68 129.35 1i7t s LEU 215 Ca -0.00 -0.79 0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1i7t s LEU 215 Cb -0.16 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1i7t s LEU 215 CO -0.08 -0.11 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.83 1i7t s THR 216 N 1.35 1.01 -0.01 3.68 2.01 0.15 -4.93 115.64 118.91 1i7t s THR 216 Ca 0.01 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1i7t s THR 216 Cb -0.16 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1i7t s THR 216 CO -0.05 -0.14 -0.05 0.26 -0.69 0.00 0.00 174.62 173.95 1i7t s TRP 217 N -1.08 2.94 -0.03 4.92 0.52 -1.26 0.16 118.94 125.11 1i7t s TRP 217 Ca -0.01 -0.00 -0.02 0.00 0.02 0.00 0.00 56.10 56.08 1i7t s TRP 217 Cb -0.09 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1i7t s TRP 217 CO 0.02 0.38 0.07 -0.65 0.02 0.00 0.00 176.95 176.79 1i7t s GLN 218 N -1.33 0.06 -0.21 4.98 -0.21 0.25 -1.29 119.66 121.92 1i7t s GLN 218 Ca 0.17 0.13 -0.04 0.00 0.02 0.00 0.00 55.36 55.64 1i7t s GLN 218 Cb -0.11 -0.02 -0.01 0.00 1.00 0.00 0.00 33.01 33.87 1i7t s GLN 218 CO 0.07 -0.04 -0.04 0.50 -2.12 0.00 0.00 175.29 173.66 1i7t s ARG 219 N 0.27 3.44 -1.09 2.91 3.52 0.52 0.16 118.95 128.68 1i7t s ARG 219 Ca -0.02 -0.60 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1i7t s ARG 219 Cb -0.03 -2.99 0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1i7t s ARG 219 CO -0.01 -0.10 0.27 -0.25 -0.81 0.00 0.00 175.30 174.41 1i7t n ASP 220 N 4.51 -3.54 0.00 -2.12 8.00 0.08 -0.54 116.55 122.94 1i7t n ASP 220 Ca -0.18 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1i7t n ASP 220 Cb 0.51 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.63 1i7t n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7t n GLY 221 N -0.98 3.19 3.78 0.44 0.00 -1.26 -5.04 105.19 105.32 1i7t n GLY 221 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1i7t n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7t s GLU 222 N -0.70 4.40 0.21 1.61 2.02 0.30 -4.99 118.70 121.54 1i7t s GLU 222 Ca 0.00 0.93 -0.31 0.00 0.02 0.00 0.00 54.97 55.62 1i7t s GLU 222 Cb 0.00 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.84 1i7t s GLU 222 CO 0.00 0.50 1.50 -0.51 0.02 0.00 0.00 175.26 176.77 1i7t s ASP 223 N -0.75 6.62 -0.26 -0.19 1.11 -1.26 -0.35 116.67 121.58 1i7t s ASP 223 Ca 0.33 2.64 0.09 0.00 0.18 0.00 0.00 52.55 55.80 1i7t s ASP 223 Cb -0.21 -2.61 0.65 0.00 1.07 0.00 0.00 42.92 41.83 1i7t s ASP 223 CO 0.22 -0.77 1.62 1.67 1.18 0.00 0.00 175.17 179.09 1i7t n GLN 224 N 3.13 3.59 0.00 8.23 -0.06 -0.41 -4.82 117.38 127.04 1i7t n GLN 224 Ca 0.10 -2.61 0.00 0.00 -2.00 0.00 0.00 57.00 52.49 1i7t n GLN 224 Cb 0.39 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 1i7t n GLN 224 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1i7t n THR 225 N 0.08 0.00 0.00 1.69 -2.24 -1.26 -0.01 114.28 112.54 1i7t n THR 225 Ca 0.32 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 1i7t n THR 225 Cb 1.19 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1i7t n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i7t n GLN 226 N -1.03 0.00 -0.19 -0.78 6.02 -1.26 -1.40 117.38 118.74 1i7t n GLN 226 Ca 0.00 0.09 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 1i7t n GLN 226 Cb 0.00 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 29.90 1i7t n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i7t n ASP 227 N -1.07 2.14 -4.48 1.08 8.00 0.98 -5.02 116.55 118.17 1i7t n ASP 227 Ca 0.00 -3.18 -0.33 0.00 0.71 0.00 0.00 54.79 51.99 1i7t n ASP 227 Cb 0.00 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 1i7t n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7t s THR 228 N -2.81 3.19 -0.32 -3.53 2.01 -0.50 -4.49 115.64 109.18 1i7t s THR 228 Ca 0.32 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 1i7t s THR 228 Cb 0.29 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1i7t s THR 228 CO 0.01 0.58 0.52 -0.70 -0.69 0.00 0.00 174.62 174.35 1i7t s GLU 229 N -0.59 3.76 -0.28 4.92 2.56 0.18 -4.91 118.70 124.36 1i7t s GLU 229 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.97 55.06 1i7t s GLU 229 Cb -0.11 -3.76 0.08 0.00 2.00 0.00 0.00 34.13 32.34 1i7t s GLU 229 CO 0.01 -0.56 0.04 -1.17 -0.56 0.00 0.00 175.26 173.02 1i7t s LEU 230 N 2.40 2.67 0.79 2.70 2.96 -1.26 0.35 118.68 129.29 1i7t s LEU 230 Ca 0.20 -1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 52.50 1i7t s LEU 230 Cb -0.15 -1.06 0.07 0.00 0.50 0.00 0.00 46.19 45.54 1i7t s LEU 230 CO 0.12 -0.34 1.09 0.68 -1.32 0.00 0.00 176.35 176.58 1i7t s VAL 231 N 1.45 3.15 0.23 1.68 -7.23 -0.98 -5.00 120.40 113.71 1i7t s VAL 231 Ca 0.04 0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 1i7t s VAL 231 Cb -0.18 -3.09 -0.09 0.00 0.56 0.00 0.00 36.38 33.58 1i7t s VAL 231 CO -0.14 -0.49 1.18 -1.61 -0.31 0.00 0.00 175.10 173.73 1i7t s GLU 232 N -5.12 4.53 -0.10 4.82 2.02 -1.26 -4.65 118.70 118.94 1i7t s GLU 232 Ca 0.61 1.89 -0.36 0.00 0.02 0.00 0.00 54.97 57.13 1i7t s GLU 232 Cb -0.15 -3.20 -0.13 0.00 0.10 0.00 0.00 34.13 30.75 1i7t s GLU 232 CO 0.55 0.00 1.80 2.41 0.02 0.00 0.00 175.26 180.04 1i7t n THR 233 N 1.87 0.44 -4.34 3.63 -1.04 -1.26 -4.84 114.28 108.74 1i7t n THR 233 Ca 0.02 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.72 1i7t n THR 233 Cb 0.44 -1.66 -0.08 0.00 -1.82 0.00 0.00 70.33 67.21 1i7t n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7t s ARG 234 N 3.52 2.11 0.01 -2.82 1.04 -0.06 -4.92 118.95 117.83 1i7t s ARG 234 Ca 0.92 -1.55 -0.25 0.00 -1.04 0.00 0.00 55.73 53.81 1i7t s ARG 234 Cb -0.78 -2.03 -0.05 0.00 -2.04 0.00 0.00 34.95 30.05 1i7t s ARG 234 CO 0.53 0.32 0.77 -1.25 -0.04 0.00 0.00 175.30 175.64 1i7t s PRO 235 N -3.64 4.49 0.36 3.89 0.04 -1.26 0.36 135.00 139.23 1i7t s PRO 235 Ca 0.32 1.06 0.16 0.00 0.04 0.00 0.00 61.00 62.57 1i7t s PRO 235 Cb -0.05 -3.40 0.68 0.00 0.04 0.00 0.00 34.50 31.77 1i7t s PRO 235 CO 0.19 0.18 1.76 0.00 0.04 0.00 0.00 177.00 179.17 1i7t h ALA 236 N 6.10 1.14 0.00 8.56 0.00 -0.97 -3.46 119.26 130.62 1i7t h ALA 236 Ca -0.43 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1i7t h ALA 236 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1i7t h ALA 236 CO 0.73 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.90 1i7t n GLY 237 N -0.07 0.19 1.07 0.00 0.00 -1.26 -4.91 105.19 100.21 1i7t n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1i7t n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7t n ASP 238 N 0.00 3.81 0.00 1.61 5.68 -1.26 -4.92 116.55 121.46 1i7t n ASP 238 Ca 0.00 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 1i7t n ASP 238 Cb 0.00 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 1i7t n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7t n GLY 239 N 0.66 1.34 3.82 6.12 0.00 -1.26 -5.06 105.19 110.81 1i7t n GLY 239 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1i7t n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7t s THR 240 N -2.34 2.99 0.29 2.61 -4.23 -1.26 -4.92 115.64 108.78 1i7t s THR 240 Ca 0.00 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1i7t s THR 240 Cb 0.00 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 1i7t s THR 240 CO 0.00 -0.10 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.45 1i7t s PHE 241 N -2.42 2.34 0.29 3.99 0.08 0.18 -0.30 117.98 122.14 1i7t s PHE 241 Ca 0.43 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 57.18 1i7t s PHE 241 Cb -0.03 -1.06 -0.06 0.00 -0.57 0.00 0.00 43.02 41.30 1i7t s PHE 241 CO 0.26 0.69 0.02 -0.65 -0.10 0.00 0.00 175.22 175.44 1i7t s GLN 242 N -3.54 1.53 -0.24 0.44 -0.21 0.16 -1.57 119.66 116.23 1i7t s GLN 242 Ca 0.30 -1.81 -0.29 0.00 0.02 0.00 0.00 55.36 53.58 1i7t s GLN 242 Cb -0.04 -0.84 0.17 0.00 1.00 0.00 0.00 33.01 33.30 1i7t s GLN 242 CO 0.16 -0.12 1.23 0.21 -2.12 0.00 0.00 175.29 174.65 1i7t s LYS 243 N -3.85 0.25 0.07 2.91 2.20 -0.22 -0.88 119.74 120.21 1i7t s LYS 243 Ca 0.33 0.06 -0.15 0.00 -0.36 0.00 0.00 55.97 55.85 1i7t s LYS 243 Cb 0.07 0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 1i7t s LYS 243 CO 0.13 -0.08 0.34 1.67 -0.36 0.00 0.00 175.35 177.05 1i7t s TRP 244 N -1.05 -0.14 -0.01 4.03 1.48 -1.26 -0.93 118.94 121.07 1i7t s TRP 244 Ca 0.05 -0.05 0.01 0.00 -1.06 0.00 0.00 56.10 55.05 1i7t s TRP 244 Cb -0.01 0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.45 1i7t s TRP 244 CO -0.05 -0.57 -0.02 0.00 -4.06 0.00 0.00 176.95 172.25 1i7t s ALA 245 N -2.96 0.22 0.06 2.67 0.00 -1.04 -2.31 121.76 118.40 1i7t s ALA 245 Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1i7t s ALA 245 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1i7t s ALA 245 CO -0.06 0.03 -0.06 0.00 0.00 0.00 0.00 175.76 175.68 1i7t s ALA 246 N 0.11 0.64 0.03 0.00 0.00 0.16 -1.19 121.76 121.50 1i7t s ALA 246 Ca -0.01 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1i7t s ALA 246 Cb -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1i7t s ALA 246 CO -0.00 -0.20 -0.06 0.14 0.00 0.00 0.00 175.76 175.64 1i7t s VAL 247 N -2.79 0.41 -0.10 0.00 -7.23 -0.74 0.51 120.40 110.46 1i7t s VAL 247 Ca 0.01 -0.84 -0.21 0.00 -1.81 0.00 0.00 61.98 59.13 1i7t s VAL 247 Cb -0.00 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1i7t s VAL 247 CO -0.04 -0.30 0.61 -0.69 -0.31 0.00 0.00 175.10 174.37 1i7t s VAL 248 N -1.10 5.10 -0.01 1.32 1.01 -1.26 -1.14 120.40 124.32 1i7t s VAL 248 Ca -0.09 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1i7t s VAL 248 Cb -0.08 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1i7t s VAL 248 CO 0.00 0.26 -0.26 -0.69 0.00 0.00 0.00 175.10 174.41 1i7t s VAL 249 N 0.87 2.10 -0.19 2.92 1.01 0.10 -4.96 120.40 122.25 1i7t s VAL 249 Ca 0.32 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1i7t s VAL 249 Cb -0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1i7t s VAL 249 CO 0.14 0.53 1.69 -2.84 0.00 0.00 0.00 175.10 174.62 1i7t s PRO 250 N -0.76 3.79 -0.18 2.72 0.02 -1.26 -0.55 135.00 138.78 1i7t s PRO 250 Ca 0.10 1.80 -0.42 0.00 0.02 0.00 0.00 61.00 62.50 1i7t s PRO 250 Cb -0.10 -4.07 -0.20 0.00 0.02 0.00 0.00 34.50 30.16 1i7t s PRO 250 CO -0.00 -1.30 1.30 0.43 -0.33 0.00 0.00 177.00 177.10 1i7t n SER 251 N 8.55 0.65 0.00 2.53 7.64 -1.00 -0.98 113.62 131.01 1i7t n SER 251 Ca 0.20 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1i7t n SER 251 Cb 0.45 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1i7t n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7t n GLY 252 N 2.56 0.76 0.48 0.23 0.00 -1.26 -4.93 105.19 103.03 1i7t n GLY 252 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1i7t n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7t n GLN 253 N -1.38 0.74 -0.38 1.61 6.02 -0.15 -4.70 117.38 119.14 1i7t n GLN 253 Ca 0.00 -1.24 0.34 0.00 -0.01 0.00 0.00 57.00 56.09 1i7t n GLN 253 Cb 0.00 -1.23 0.59 0.00 1.02 0.00 0.00 30.24 30.62 1i7t n GLN 253 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1i7t n GLU 254 N 0.66 -0.04 0.27 -1.09 4.71 -1.26 0.18 120.64 124.06 1i7t n GLU 254 Ca 0.07 1.19 0.17 0.00 -0.01 0.00 0.00 57.16 58.58 1i7t n GLU 254 Cb 0.30 -2.27 0.71 0.00 -1.01 0.00 0.00 31.44 29.17 1i7t n GLU 254 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1i7t h GLN 255 N 0.00 0.00 0.00 3.49 3.07 -1.84 -2.73 115.11 117.10 1i7t h GLN 255 Ca 0.80 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.42 1i7t h GLN 255 Cb 2.42 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.96 1i7t h GLN 255 CO -0.52 0.00 -0.55 0.00 0.09 0.00 0.00 178.83 177.85 1i7t h ARG 256 N 0.00 0.00 -6.45 0.06 3.08 0.15 -3.45 114.38 107.77 1i7t h ARG 256 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1i7t h ARG 256 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1i7t h ARG 256 CO 0.00 0.55 0.01 0.71 -1.07 0.00 0.00 179.97 180.16 1i7t s TYR 257 N -3.64 3.61 0.00 3.04 1.51 -1.03 -0.74 117.35 120.10 1i7t s TYR 257 Ca -0.01 1.21 0.01 0.00 -1.01 0.00 0.00 57.07 57.26 1i7t s TYR 257 Cb 0.12 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1i7t s TYR 257 CO 0.74 0.37 -0.03 0.95 -1.11 0.00 0.00 175.55 176.47 1i7t s THR 258 N -1.52 0.20 -0.11 -0.71 -4.23 0.12 -4.31 115.64 105.09 1i7t s THR 258 Ca 0.41 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 1i7t s THR 258 Cb -0.15 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 1i7t s THR 258 CO 0.20 -0.03 0.11 0.00 -0.54 0.00 0.00 174.62 174.36 1i7t s HIS 260 N -0.99 2.26 -0.07 0.00 3.76 0.43 -1.38 115.29 119.30 1i7t s HIS 260 Ca 0.15 -0.93 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 1i7t s HIS 260 Cb -0.12 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1i7t s HIS 260 CO 0.04 -0.40 -0.22 0.08 -0.85 0.00 0.00 174.74 173.39 1i7t s VAL 261 N 0.48 2.33 -0.11 -0.90 1.01 -0.75 0.33 120.40 122.80 1i7t s VAL 261 Ca -0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1i7t s VAL 261 Cb -0.17 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1i7t s VAL 261 CO 0.06 0.57 -0.03 -1.10 0.00 0.00 0.00 175.10 174.60 1i7t s GLN 262 N -0.10 1.02 -0.08 2.72 -0.21 0.35 -1.55 119.66 121.81 1i7t s GLN 262 Ca -0.05 -0.13 -0.08 0.00 0.02 0.00 0.00 55.36 55.13 1i7t s GLN 262 Cb -0.14 -1.39 0.02 0.00 1.00 0.00 0.00 33.01 32.50 1i7t s GLN 262 CO 0.04 -0.33 0.22 -1.58 -2.12 0.00 0.00 175.29 171.52 1i7t s HIS 263 N 1.84 -0.23 -0.35 0.91 2.46 -1.26 -1.46 115.29 117.19 1i7t s HIS 263 Ca 0.04 0.55 0.09 0.00 0.47 0.00 0.00 55.06 56.21 1i7t s HIS 263 Cb -0.13 0.08 0.49 0.00 -0.13 0.00 0.00 32.58 32.88 1i7t s HIS 263 CO -0.07 -0.13 1.18 -1.91 -2.47 0.00 0.00 174.74 171.33 1i7t n GLU 264 N 2.83 0.06 -0.58 2.88 2.13 -1.26 -0.86 120.64 125.83 1i7t n GLU 264 Ca -0.13 0.49 0.08 0.00 0.66 0.00 0.00 57.16 58.26 1i7t n GLU 264 Cb 0.58 -1.87 0.31 0.00 0.27 0.00 0.00 31.44 30.74 1i7t n GLU 264 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i7t n GLY 265 N -1.32 3.33 3.22 8.31 0.00 -1.26 -4.90 105.19 112.57 1i7t n GLY 265 Ca -0.01 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1i7t n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i7t s LEU 266 N -2.40 2.78 0.33 0.99 1.43 -0.04 -3.97 118.68 117.80 1i7t s LEU 266 Ca 0.46 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.01 1i7t s LEU 266 Cb 0.34 -1.64 0.97 0.00 0.03 0.00 0.00 46.19 45.89 1i7t s LEU 266 CO 0.15 -0.05 1.58 -0.65 0.23 0.00 0.00 176.35 177.61 1i7t h PRO 267 N 8.03 0.02 -3.72 1.29 0.11 -1.90 -3.41 132.00 132.41 1i7t h PRO 267 Ca -0.40 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 1i7t h PRO 267 Cb 1.14 -0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.09 1i7t h PRO 267 CO 0.60 0.01 -0.37 -1.59 -0.21 0.00 0.00 178.00 176.45 1i7t s LYS 268 N -5.82 0.81 0.41 1.05 -2.85 -1.26 -5.15 119.74 106.93 1i7t s LYS 268 Ca -0.11 -0.86 -0.26 0.00 -1.00 0.00 0.00 55.97 53.73 1i7t s LYS 268 Cb 0.31 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 36.32 1i7t s LYS 268 CO 0.78 -0.25 1.40 -2.14 0.10 0.00 0.00 175.35 175.23 1i7t s PRO 269 N -3.49 3.90 0.25 1.78 0.02 -1.26 -4.97 135.00 131.23 1i7t s PRO 269 Ca 0.02 2.37 -0.15 0.00 0.02 0.00 0.00 61.00 63.26 1i7t s PRO 269 Cb 0.03 -2.78 -0.08 0.00 0.02 0.00 0.00 34.50 31.69 1i7t s PRO 269 CO -0.09 -0.62 0.66 -0.51 -0.33 0.00 0.00 177.00 176.11 1i7t s LEU 270 N -2.44 4.19 -0.22 -5.54 1.43 -0.59 -4.94 118.68 110.57 1i7t s LEU 270 Ca 0.57 1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1i7t s LEU 270 Cb -0.42 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.12 1i7t s LEU 270 CO 0.56 -0.07 0.09 -0.89 0.23 0.00 0.00 176.35 176.26 1i7t s THR 271 N -1.76 0.09 0.13 5.49 2.01 -1.26 -1.80 115.64 118.54 1i7t s THR 271 Ca 0.47 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.02 1i7t s THR 271 Cb -0.13 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1i7t s THR 271 CO 0.19 -0.43 0.11 -0.76 -0.69 0.00 0.00 174.62 173.04 1i7t s LEU 272 N 2.04 3.79 -0.08 4.42 1.43 -0.48 -4.94 118.68 124.87 1i7t s LEU 272 Ca 0.04 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1i7t s LEU 272 Cb -0.16 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1i7t s LEU 272 CO -0.18 0.11 0.17 -0.60 0.23 0.00 0.00 176.35 176.07 1i7t s ARG 273 N -2.84 0.12 0.11 1.70 3.52 -1.26 -0.55 118.95 119.75 1i7t s ARG 273 Ca 0.30 0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 56.00 1i7t s ARG 273 Cb -0.11 -0.16 -0.08 0.00 -1.56 0.00 0.00 34.95 33.04 1i7t s ARG 273 CO 0.23 -0.16 1.44 -0.46 -0.81 0.00 0.00 175.30 175.54 1i7t s TRP 274 N 1.18 3.11 0.00 5.12 -0.11 -1.26 -5.07 118.94 121.90 1i7t s TRP 274 Ca -0.09 0.83 0.00 0.00 1.22 0.00 0.00 56.10 58.06 1i7t s TRP 274 Cb -0.11 -3.75 0.00 0.00 -1.50 0.00 0.00 33.47 28.11 1i7t s TRP 274 CO -0.06 -2.70 0.00 -0.85 -4.62 0.00 0.00 176.95 168.71