#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7q s ASP 3 N 0.00 5.35 -0.12 0.00 -0.00 -1.24 -1.59 116.67 119.07 1i7q s ASP 3 Ca 0.00 -0.10 0.02 0.00 -0.00 0.00 0.00 52.55 52.47 1i7q s ASP 3 Cb 0.00 -1.95 -0.00 0.00 -0.00 0.00 0.00 42.92 40.97 1i7q s ASP 3 CO 0.00 0.03 -0.20 -0.63 -0.00 0.00 0.00 175.17 174.37 1i7q s ILE 4 N 1.22 2.33 -0.39 0.77 1.01 0.05 -1.08 121.20 125.11 1i7q s ILE 4 Ca 0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 1i7q s ILE 4 Cb -0.14 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.44 1i7q s ILE 4 CO 0.04 0.55 0.24 -0.22 0.00 0.00 0.00 174.94 175.54 1i7q s LEU 5 N 0.48 4.90 -0.26 2.97 1.98 -0.65 -1.01 118.68 127.09 1i7q s LEU 5 Ca -0.14 -1.10 -0.11 0.00 -2.89 0.00 0.00 54.13 49.89 1i7q s LEU 5 Cb -0.17 -2.04 -0.05 0.00 0.66 0.00 0.00 46.19 44.59 1i7q s LEU 5 CO 0.05 -0.44 0.17 -0.22 -1.89 0.00 0.00 176.35 174.03 1i7q s LEU 6 N 1.55 4.05 -0.35 -0.68 2.96 0.76 -1.24 118.68 125.74 1i7q s LEU 6 Ca 0.02 0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 1i7q s LEU 6 Cb -0.20 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.39 1i7q s LEU 6 CO 0.06 0.00 0.82 -0.22 -1.32 0.00 0.00 176.35 175.70 1i7q s LEU 7 N 1.43 4.08 -0.49 -0.68 2.96 0.69 -1.59 118.68 125.08 1i7q s LEU 7 Ca 0.07 0.51 -0.26 0.00 -0.22 0.00 0.00 54.13 54.24 1i7q s LEU 7 Cb -0.15 -3.11 0.03 0.00 0.50 0.00 0.00 46.19 43.47 1i7q s LEU 7 CO 0.08 -0.73 0.98 -0.62 -1.32 0.00 0.00 176.35 174.74 1i7q s ASP 8 N 1.78 6.49 -0.17 3.68 3.68 0.10 -1.68 116.67 130.55 1i7q s ASP 8 Ca 0.33 0.10 -0.02 0.00 2.13 0.00 0.00 52.55 55.09 1i7q s ASP 8 Cb -0.13 -2.47 0.02 0.00 -1.45 0.00 0.00 42.92 38.89 1i7q s ASP 8 CO 0.16 -1.15 2.46 0.59 0.13 0.00 0.00 175.17 177.36 1i7q n ASN 9 N 7.43 5.86 -3.54 -0.34 3.02 -1.26 -1.74 115.26 124.70 1i7q n ASN 9 Ca 0.07 -2.76 -0.20 0.00 -0.03 0.00 0.00 54.58 51.65 1i7q n ASN 9 Cb 0.48 -1.18 0.06 0.00 -0.61 0.00 0.00 39.78 38.53 1i7q n ASN 9 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1i7q n VAL 10 N 1.24 -6.08 -4.24 2.41 0.31 -1.26 -4.32 118.33 106.38 1i7q n VAL 10 Ca 0.26 -0.76 -0.23 0.00 -0.01 0.00 0.00 64.34 63.60 1i7q n VAL 10 Cb 0.62 -4.75 -0.07 0.00 -0.91 0.00 0.00 33.84 28.72 1i7q n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i7q s ASP 11 N -4.02 4.58 0.00 4.52 2.15 -1.26 -4.71 116.67 117.93 1i7q s ASP 11 Ca 0.17 -0.70 0.23 0.00 0.43 0.00 0.00 52.55 52.68 1i7q s ASP 11 Cb -0.04 -0.81 0.61 0.00 -0.30 0.00 0.00 42.92 42.39 1i7q s ASP 11 CO 0.79 -0.10 1.52 -1.20 -0.17 0.00 0.00 175.17 176.01 1i7q n SER 12 N -0.97 3.85 0.00 -0.34 7.64 -1.26 -4.09 113.62 118.44 1i7q n SER 12 Ca -0.05 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1i7q n SER 12 Cb 0.60 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1i7q n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1i7q n PHE 13 N 1.62 0.00 -0.29 1.43 0.99 -1.26 -4.79 117.46 115.16 1i7q n PHE 13 Ca 0.24 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.80 1i7q n PHE 13 Cb 0.62 0.00 0.28 0.00 -1.00 0.00 0.00 39.48 39.37 1i7q n PHE 13 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i7q h THR 14 N 0.03 0.48 0.00 4.37 2.02 -1.91 -1.11 112.91 116.78 1i7q h THR 14 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1i7q h THR 14 Cb 0.01 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1i7q h THR 14 CO 0.00 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 1i7q n TYR 15 N -5.07 0.65 0.17 3.16 4.01 -1.26 -1.84 117.16 116.97 1i7q n TYR 15 Ca 0.20 0.22 0.01 0.00 -0.16 0.00 0.00 57.90 58.18 1i7q n TYR 15 Cb 0.61 -0.86 0.28 0.00 -0.31 0.00 0.00 39.34 39.07 1i7q n TYR 15 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1i7q h ASN 16 N 0.00 0.00 -0.01 7.72 -0.26 -1.55 0.41 115.58 121.88 1i7q h ASN 16 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1i7q h ASN 16 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1i7q h ASN 16 CO 0.00 0.47 -0.03 -0.07 -1.06 0.00 0.00 177.43 176.74 1i7q h LEU 17 N 0.00 0.05 -0.66 1.61 3.38 -1.41 -3.21 115.31 115.07 1i7q h LEU 17 Ca -0.00 -0.57 0.10 0.00 0.09 0.00 0.00 57.88 57.50 1i7q h LEU 17 Cb 0.85 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 1i7q h LEU 17 CO 0.06 0.60 0.27 0.58 0.09 0.00 0.00 178.44 180.04 1i7q h VAL 18 N -0.51 0.77 -0.04 1.22 2.07 -1.25 -2.48 116.25 116.02 1i7q h VAL 18 Ca 0.00 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1i7q h VAL 18 Cb 0.60 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1i7q h VAL 18 CO 0.01 0.08 -0.16 -0.78 0.02 0.00 0.00 177.57 176.74 1i7q h ASP 19 N 0.46 -0.48 -0.18 0.57 -0.00 -0.93 -0.24 116.42 115.62 1i7q h ASP 19 Ca 0.34 0.08 -0.10 0.00 -0.00 0.00 0.00 57.03 57.34 1i7q h ASP 19 Cb 0.42 0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.94 1i7q h ASP 19 CO -0.32 -0.22 -0.20 0.06 -0.00 0.00 0.00 179.24 178.57 1i7q h GLN 20 N -0.24 0.61 0.00 0.28 3.07 -1.53 -0.06 115.11 117.24 1i7q h GLN 20 Ca 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 58.65 58.58 1i7q h GLN 20 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1i7q h GLN 20 CO -0.18 0.78 -0.00 -0.07 0.09 0.00 0.00 178.83 179.44 1i7q h LEU 21 N 0.54 -0.00 -0.88 0.06 3.38 -1.06 -2.57 115.31 114.79 1i7q h LEU 21 Ca 0.08 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1i7q h LEU 21 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1i7q h LEU 21 CO 0.05 0.32 0.01 0.03 0.09 0.00 0.00 178.44 178.93 1i7q h ARG 22 N -0.32 0.84 0.00 1.13 3.08 -1.02 -2.29 114.38 115.80 1i7q h ARG 22 Ca -0.00 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1i7q h ARG 22 Cb 0.32 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1i7q h ARG 22 CO 0.00 0.84 -0.01 0.00 -1.07 0.00 0.00 179.97 179.73 1i7q h ALA 23 N 1.22 1.47 -0.67 0.04 0.00 -0.83 -1.62 119.26 118.86 1i7q h ALA 23 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1i7q h ALA 23 Cb 0.46 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1i7q h ALA 23 CO 0.02 0.01 0.19 -1.13 0.00 0.00 0.00 179.25 178.34 1i7q n SER 24 N -3.78 4.94 0.00 0.00 3.41 -0.88 -4.95 113.62 112.36 1i7q n SER 24 Ca -0.03 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 1i7q n SER 24 Cb 0.09 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1i7q n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i7q n GLY 25 N -0.04 2.57 3.78 5.00 0.00 -0.61 -4.99 105.19 110.90 1i7q n GLY 25 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 1i7q n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i7q s HIS 26 N -2.62 3.17 -0.05 1.61 3.76 -1.06 -4.68 115.29 115.42 1i7q s HIS 26 Ca 0.00 1.62 -0.20 0.00 -0.15 0.00 0.00 55.06 56.32 1i7q s HIS 26 Cb 0.00 -3.17 -0.05 0.00 1.11 0.00 0.00 32.58 30.47 1i7q s HIS 26 CO 0.00 -0.82 0.58 -0.65 -0.85 0.00 0.00 174.74 173.01 1i7q s GLN 27 N -2.58 4.34 -0.09 1.40 1.11 -0.62 -4.15 119.66 119.07 1i7q s GLN 27 Ca 0.59 0.68 0.02 0.00 0.01 0.00 0.00 55.36 56.66 1i7q s GLN 27 Cb -0.23 -3.38 0.02 0.00 -1.01 0.00 0.00 33.01 28.40 1i7q s GLN 27 CO 0.29 0.26 -0.12 0.08 0.01 0.00 0.00 175.29 175.81 1i7q s VAL 28 N 0.20 1.19 -0.13 1.09 1.01 -1.26 -0.77 120.40 121.72 1i7q s VAL 28 Ca 0.31 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1i7q s VAL 28 Cb -0.17 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1i7q s VAL 28 CO 0.15 0.38 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 1i7q s VAL 29 N 0.97 3.08 -0.18 2.92 1.01 -0.18 -5.00 120.40 123.02 1i7q s VAL 29 Ca -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1i7q s VAL 29 Cb -0.15 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1i7q s VAL 29 CO -0.00 0.52 -0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1i7q s ILE 30 N 0.37 3.53 -0.04 2.22 1.09 -1.26 -0.17 121.20 126.94 1i7q s ILE 30 Ca -0.10 -0.47 0.05 0.00 -1.10 0.00 0.00 60.65 59.03 1i7q s ILE 30 Cb -0.16 -2.56 -0.01 0.00 -1.06 0.00 0.00 42.46 38.67 1i7q s ILE 30 CO 0.05 0.46 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.84 1i7q s TYR 31 N 0.88 2.02 0.73 3.97 1.51 -0.62 -4.95 117.35 120.88 1i7q s TYR 31 Ca -0.01 -0.56 -0.11 0.00 -1.01 0.00 0.00 57.07 55.38 1i7q s TYR 31 Cb -0.15 -1.33 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1i7q s TYR 31 CO 0.01 -0.16 1.08 1.03 -1.11 0.00 0.00 175.55 176.40 1i7q s ARG 32 N -0.12 2.56 0.41 -0.62 1.81 -1.26 0.03 118.95 121.76 1i7q s ARG 32 Ca -0.02 1.15 0.18 0.00 -1.72 0.00 0.00 55.73 55.32 1i7q s ARG 32 Cb -0.12 -1.94 1.09 0.00 -0.45 0.00 0.00 34.95 33.53 1i7q s ARG 32 CO 0.02 -1.41 1.81 -0.97 -0.68 0.00 0.00 175.30 174.08 1i7q h ASN 33 N -0.78 0.44 0.67 0.23 -0.00 -1.70 -2.96 115.58 111.47 1i7q h ASN 33 Ca -0.44 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 55.92 1i7q h ASN 33 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1i7q h ASN 33 CO 0.53 0.13 -0.04 0.00 -0.00 0.00 0.00 177.43 178.05 1i7q n GLN 34 N -4.57 0.31 -2.52 6.67 6.02 -1.26 -1.04 117.38 121.00 1i7q n GLN 34 Ca 0.22 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1i7q n GLN 34 Cb 0.79 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.52 1i7q n GLN 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1i7q s ILE 35 N -2.71 4.36 0.45 5.09 -1.09 -1.12 -4.94 121.20 121.24 1i7q s ILE 35 Ca 0.23 1.68 -0.23 0.00 -2.23 0.00 0.00 60.65 60.11 1i7q s ILE 35 Cb 0.20 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1i7q s ILE 35 CO 0.50 0.05 0.91 0.61 -1.23 0.00 0.00 174.94 175.77 1i7q n GLY 36 N 3.23 -0.48 0.33 6.18 0.00 -1.26 -4.67 105.19 108.52 1i7q n GLY 36 Ca 0.09 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1i7q n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7q h ALA 37 N 1.22 1.53 -0.98 4.61 0.00 -1.93 -2.41 119.26 121.31 1i7q h ALA 37 Ca -0.44 0.10 0.16 0.00 0.00 0.00 0.00 54.91 54.72 1i7q h ALA 37 Cb 1.35 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 1i7q h ALA 37 CO 0.55 -0.12 0.59 0.93 0.00 0.00 0.00 179.25 181.20 1i7q h GLU 38 N 0.66 0.81 -0.54 0.00 4.39 -1.99 0.24 114.58 118.15 1i7q h GLU 38 Ca 0.55 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 60.09 1i7q h GLU 38 Cb 0.87 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1i7q h GLU 38 CO -0.40 0.54 -0.07 0.28 -1.16 0.00 0.00 179.01 178.19 1i7q h VAL 39 N 0.84 1.27 0.32 3.13 2.07 -1.79 0.19 116.25 122.27 1i7q h VAL 39 Ca 0.53 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1i7q h VAL 39 Cb 0.70 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1i7q h VAL 39 CO -0.33 0.43 -0.15 0.40 0.02 0.00 0.00 177.57 177.94 1i7q h ILE 40 N 0.89 0.70 -0.20 4.57 1.08 -1.13 0.12 117.51 123.55 1i7q h ILE 40 Ca 0.15 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1i7q h ILE 40 Cb 0.63 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 1i7q h ILE 40 CO 0.04 0.04 0.01 0.40 -0.69 0.00 0.00 178.15 177.96 1i7q h ILE 41 N -0.54 0.88 -0.98 -0.67 2.04 -0.93 0.63 117.51 117.94 1i7q h ILE 41 Ca -0.04 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1i7q h ILE 41 Cb 0.40 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1i7q h ILE 41 CO 0.07 0.02 0.65 1.05 0.00 0.00 0.00 178.15 179.94 1i7q h GLU 42 N 0.08 1.28 -0.63 2.37 4.11 -0.45 -1.50 114.58 119.85 1i7q h GLU 42 Ca 0.09 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 1i7q h GLU 42 Cb 0.10 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1i7q h GLU 42 CO -0.14 0.85 0.11 -0.09 0.07 0.00 0.00 179.01 179.80 1i7q h ARG 43 N 1.32 1.03 -0.65 1.06 9.65 -0.10 -2.58 114.38 124.11 1i7q h ARG 43 Ca 0.36 -0.26 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1i7q h ARG 43 Cb -0.13 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.28 1i7q h ARG 43 CO -0.08 0.94 0.43 -0.07 2.80 0.00 0.00 179.97 183.99 1i7q h LEU 44 N 0.97 0.68 -1.81 3.80 4.07 0.07 -1.19 115.31 121.90 1i7q h LEU 44 Ca 0.20 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 1i7q h LEU 44 Cb 0.41 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1i7q h LEU 44 CO 0.01 0.48 -0.13 1.56 -1.08 0.00 0.00 178.44 179.28 1i7q h GLN 45 N 0.80 0.00 -0.18 1.13 4.20 -0.91 -2.51 115.11 117.64 1i7q h GLN 45 Ca 0.26 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.80 1i7q h GLN 45 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1i7q h GLN 45 CO -0.07 0.13 -0.52 0.45 -0.67 0.00 0.00 178.83 178.15 1i7q h HIS 46 N 0.00 0.87 -4.17 2.96 3.86 -1.18 -3.46 115.15 114.03 1i7q h HIS 46 Ca -0.00 -0.35 -0.54 0.00 -1.16 0.00 0.00 60.37 58.32 1i7q h HIS 46 Cb 0.39 -0.15 0.16 0.00 1.06 0.00 0.00 27.41 28.87 1i7q h HIS 46 CO 0.00 1.14 0.40 -1.64 0.86 0.00 0.00 177.93 178.69 1i7q s MET 47 N -3.91 2.11 -0.04 2.45 -1.94 -0.95 -5.02 119.30 112.00 1i7q s MET 47 Ca -0.12 1.80 -0.01 0.00 -1.71 0.00 0.00 55.69 55.65 1i7q s MET 47 Cb 0.08 -1.82 -0.00 0.00 2.01 0.00 0.00 34.83 35.09 1i7q s MET 47 CO 0.85 -1.87 -0.03 1.49 -0.01 0.00 0.00 175.02 175.46 1i7q h GLU 49 N -0.28 0.00 -2.21 2.03 4.81 -1.89 -3.41 114.58 113.63 1i7q h GLU 49 Ca -0.48 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.11 1i7q h GLU 49 Cb 1.30 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.29 1i7q h GLU 49 CO 0.50 0.00 -0.28 1.04 -0.73 0.00 0.00 179.01 179.54 1i7q n GLN 50 N -3.01 3.69 -1.76 1.92 3.00 -1.26 -5.07 117.38 114.89 1i7q n GLN 50 Ca -0.01 -4.77 -0.41 0.00 -0.01 0.00 0.00 57.00 51.80 1i7q n GLN 50 Cb 0.04 -2.29 -0.01 0.00 0.00 0.00 0.00 30.24 27.98 1i7q n GLN 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1i7q n PRO 51 N -0.24 2.74 -4.82 -1.09 -0.04 -1.25 -3.66 135.00 126.64 1i7q n PRO 51 Ca 0.35 0.97 -0.27 0.00 -0.04 0.00 0.00 63.50 64.52 1i7q n PRO 51 Cb 0.38 -2.76 -0.17 0.00 -0.04 0.00 0.00 33.50 30.92 1i7q n PRO 51 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1i7q s VAL 52 N -0.20 1.46 -0.20 0.52 1.01 -0.24 -4.36 120.40 118.39 1i7q s VAL 52 Ca 0.62 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1i7q s VAL 52 Cb -0.48 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1i7q s VAL 52 CO 0.51 0.43 0.29 -0.22 0.00 0.00 0.00 175.10 176.11 1i7q s LEU 53 N 0.46 4.18 -0.08 3.92 2.96 -0.54 -1.63 118.68 127.95 1i7q s LEU 53 Ca -0.14 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1i7q s LEU 53 Cb -0.16 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 1i7q s LEU 53 CO 0.05 0.03 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.59 1i7q s MET 54 N 0.92 2.80 -0.26 1.98 -2.45 -0.37 -0.66 119.30 121.26 1i7q s MET 54 Ca 0.15 -0.80 -0.04 0.00 -1.25 0.00 0.00 55.69 53.74 1i7q s MET 54 Cb -0.14 -2.34 0.01 0.00 1.25 0.00 0.00 34.83 33.61 1i7q s MET 54 CO 0.05 0.37 0.00 -0.51 1.05 0.00 0.00 175.02 175.98 1i7q s LEU 55 N -0.11 3.33 0.91 4.11 1.43 0.21 -0.22 118.68 128.35 1i7q s LEU 55 Ca -0.04 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1i7q s LEU 55 Cb -0.14 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.44 1i7q s LEU 55 CO 0.04 -0.11 1.16 -0.94 0.23 0.00 0.00 176.35 176.73 1i7q s SER 56 N 1.45 3.57 1.15 2.29 1.04 -0.68 -0.78 113.70 121.74 1i7q s SER 56 Ca 0.03 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.11 1i7q s SER 56 Cb -0.16 -1.32 0.27 0.00 0.10 0.00 0.00 66.02 64.91 1i7q s SER 56 CO -0.01 -2.50 1.17 -2.84 0.98 0.00 0.00 173.24 170.03 1i7q s PRO 57 N -5.42 -0.81 0.00 4.02 0.02 -1.07 -3.27 135.00 128.47 1i7q s PRO 57 Ca 0.65 -0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.49 1i7q s PRO 57 Cb -0.13 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1i7q s PRO 57 CO 0.52 -3.42 0.00 0.41 -0.33 0.00 0.00 177.00 174.18 1i7q n GLY 58 N -1.68 0.61 3.82 0.52 0.00 -1.26 -4.05 105.19 103.15 1i7q n GLY 58 Ca 0.14 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1i7q n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i7q s PRO 59 N -2.00 3.08 3.04 1.61 0.04 -1.26 -4.71 135.00 134.79 1i7q s PRO 59 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1i7q s PRO 59 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1i7q s PRO 59 CO 0.00 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1i7q n GLY 60 N -1.87 0.02 3.85 0.56 0.00 -1.26 -4.85 105.19 101.64 1i7q n GLY 60 Ca 0.08 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1i7q n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7q s THR 61 N 0.00 5.17 0.44 2.61 2.01 -1.26 -5.01 115.64 119.59 1i7q s THR 61 Ca 0.00 0.60 0.12 0.00 0.31 0.00 0.00 61.69 62.72 1i7q s THR 61 Cb 0.00 -3.62 0.30 0.00 0.01 0.00 0.00 72.50 69.19 1i7q s THR 61 CO 0.00 0.54 2.02 1.55 -0.69 0.00 0.00 174.62 178.05 1i7q h PRO 62 N 4.61 0.40 0.00 4.92 0.13 -1.89 -1.19 132.00 138.99 1i7q h PRO 62 Ca -0.52 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1i7q h PRO 62 Cb 1.22 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1i7q h PRO 62 CO 0.61 0.27 -0.01 0.66 -0.23 0.00 0.00 178.00 179.30 1i7q h SER 63 N 0.41 0.00 -0.56 1.44 4.64 -1.95 -2.40 113.55 115.14 1i7q h SER 63 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1i7q h SER 63 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1i7q h SER 63 CO -0.05 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.30 1i7q n GLU 64 N -3.16 2.62 -2.03 4.77 4.71 -0.45 -4.82 120.64 122.28 1i7q n GLU 64 Ca -0.02 -2.42 -0.42 0.00 -0.01 0.00 0.00 57.16 54.29 1i7q n GLU 64 Cb 0.15 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1i7q n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i7q n ALA 65 N 1.40 5.41 -0.36 0.62 0.00 -0.91 -4.98 120.51 121.69 1i7q n ALA 65 Ca 0.21 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1i7q n ALA 65 Cb 0.58 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.74 1i7q n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7q n GLY 66 N 3.54 2.16 0.00 0.00 0.00 -1.26 -1.31 105.19 108.33 1i7q n GLY 66 Ca 0.46 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1i7q n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7q h MET 68 N 0.00 0.73 -0.49 0.00 1.85 -1.45 0.20 114.93 115.76 1i7q h MET 68 Ca 0.00 -0.06 0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1i7q h MET 68 Cb 0.00 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 31.84 1i7q h MET 68 CO 0.00 0.52 0.27 -1.35 -0.40 0.00 0.00 176.91 175.95 1i7q h PRO 69 N 0.73 0.52 -0.66 0.39 0.11 -1.78 -1.60 132.00 129.71 1i7q h PRO 69 Ca 0.20 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1i7q h PRO 69 Cb -0.03 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1i7q h PRO 69 CO -0.04 0.35 0.33 1.49 -0.21 0.00 0.00 178.00 179.92 1i7q h GLU 70 N 0.54 0.95 -0.54 1.05 4.81 -1.76 -0.21 114.58 119.42 1i7q h GLU 70 Ca 0.21 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1i7q h GLU 70 Cb 0.07 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1i7q h GLU 70 CO -0.12 0.74 0.25 1.25 -0.73 0.00 0.00 179.01 180.40 1i7q h LEU 71 N 0.92 0.32 -0.62 1.64 5.85 -0.35 -0.36 115.31 122.70 1i7q h LEU 71 Ca 0.23 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1i7q h LEU 71 Cb 0.10 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1i7q h LEU 71 CO -0.03 0.21 0.19 -0.07 -0.34 0.00 0.00 178.44 178.40 1i7q h LEU 72 N 0.47 0.91 -0.78 2.25 3.38 -0.92 0.12 115.31 120.73 1i7q h LEU 72 Ca 0.25 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1i7q h LEU 72 Cb 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1i7q h LEU 72 CO -0.21 0.88 0.48 1.56 0.09 0.00 0.00 178.44 181.24 1i7q h GLN 73 N 0.89 0.87 0.00 1.13 4.20 -0.10 -2.79 115.11 119.31 1i7q h GLN 73 Ca 0.20 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1i7q h GLN 73 Cb 0.30 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1i7q h GLN 73 CO -0.01 0.58 -1.25 0.54 -0.67 0.00 0.00 178.83 178.02 1i7q n ARG 74 N -4.65 0.62 -0.00 1.46 1.74 -0.24 -4.49 116.66 111.09 1i7q n ARG 74 Ca 0.10 0.17 0.07 0.00 -0.77 0.00 0.00 57.85 57.41 1i7q n ARG 74 Cb 0.13 -1.81 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 1i7q n ARG 74 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1i7q n LEU 75 N -2.77 0.43 -4.71 0.55 4.77 0.38 -4.90 117.00 110.75 1i7q n LEU 75 Ca -0.05 -0.32 -0.58 0.00 -0.03 0.00 0.00 56.01 55.03 1i7q n LEU 75 Cb 0.70 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 1i7q n LEU 75 CO 0.42 0.11 1.28 -1.14 -1.33 0.00 0.00 177.39 176.73 1i7q n ARG 76 N -1.58 1.06 -0.57 3.23 0.63 -1.06 0.44 116.66 118.82 1i7q n ARG 76 Ca 0.01 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 1i7q n ARG 76 Cb 0.28 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.13 1i7q n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i7q n GLY 77 N 4.06 0.79 0.06 5.14 0.00 -1.26 -4.89 105.19 109.10 1i7q n GLY 77 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 1i7q n GLY 77 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1i7q n GLN 78 N -2.00 0.79 -3.50 1.61 -0.06 0.17 -5.01 117.38 109.38 1i7q n GLN 78 Ca 0.00 -0.08 -0.12 0.00 -2.00 0.00 0.00 57.00 54.80 1i7q n GLN 78 Cb 0.00 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 24.66 1i7q n GLN 78 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 1i7q s LEU 79 N -5.02 -0.48 0.49 1.69 2.34 -1.24 -5.13 118.68 111.34 1i7q s LEU 79 Ca -0.09 0.21 -0.23 0.00 0.06 0.00 0.00 54.13 54.08 1i7q s LEU 79 Cb 0.09 2.25 -0.07 0.00 -0.56 0.00 0.00 46.19 47.90 1i7q s LEU 79 CO 0.81 -0.66 1.33 -2.84 -1.06 0.00 0.00 176.35 173.93 1i7q s PRO 80 N -2.55 3.50 -0.05 1.48 0.02 -1.26 -4.85 135.00 131.29 1i7q s PRO 80 Ca -0.00 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.22 1i7q s PRO 80 Cb -0.01 -2.45 0.02 0.00 0.02 0.00 0.00 34.50 32.08 1i7q s PRO 80 CO -0.04 -0.89 -0.07 0.42 -0.33 0.00 0.00 177.00 176.09 1i7q s ILE 81 N -1.31 0.71 -0.16 2.83 1.01 -0.78 -1.47 121.20 122.03 1i7q s ILE 81 Ca 0.65 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1i7q s ILE 81 Cb -0.39 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1i7q s ILE 81 CO 0.48 0.26 -0.17 -0.63 0.00 0.00 0.00 174.94 174.88 1i7q s ILE 82 N 0.74 1.77 -0.13 2.92 1.01 0.17 -1.39 121.20 126.28 1i7q s ILE 82 Ca -0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1i7q s ILE 82 Cb -0.14 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1i7q s ILE 82 CO 0.01 0.49 -0.10 -0.83 0.00 0.00 0.00 174.94 174.52 1i7q s GLY 83 N 1.38 1.61 -0.25 6.18 0.00 0.05 -0.62 107.32 115.68 1i7q s GLY 83 Ca 0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 1i7q s GLY 83 CO -0.11 -0.21 0.00 -0.42 0.00 0.00 0.00 173.10 172.36 1i7q s ILE 84 N 0.21 3.59 0.00 0.90 -1.09 0.04 -1.63 121.20 123.22 1i7q s ILE 84 Ca -0.06 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1i7q s ILE 84 Cb -0.15 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 1i7q s ILE 84 CO 0.04 0.28 0.00 0.00 -1.23 0.00 0.00 174.94 174.03 1i7q h LEU 86 N 0.00 0.90 -1.04 0.00 5.85 -1.84 -0.53 115.31 118.65 1i7q h LEU 86 Ca 0.00 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1i7q h LEU 86 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1i7q h LEU 86 CO 0.00 0.55 -0.26 1.23 -0.34 0.00 0.00 178.44 179.62 1i7q h GLY 87 N 1.02 0.41 1.03 3.75 0.00 -1.33 -0.40 103.07 107.55 1i7q h GLY 87 Ca 0.42 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1i7q h GLY 87 CO -0.20 0.30 -0.15 0.84 0.00 0.00 0.00 176.54 177.32 1i7q h HIS 88 N 0.34 0.99 -0.39 5.60 -0.00 -1.30 -1.29 115.15 119.09 1i7q h HIS 88 Ca 0.05 -0.23 -0.11 0.00 -0.00 0.00 0.00 60.37 60.08 1i7q h HIS 88 Cb 0.64 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 1i7q h HIS 88 CO 0.02 1.00 -0.21 1.96 -0.00 0.00 0.00 177.93 180.69 1i7q h GLN 89 N 0.70 0.77 -0.15 5.26 4.20 -0.84 -1.29 115.11 123.77 1i7q h GLN 89 Ca 0.10 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1i7q h GLN 89 Cb 0.71 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1i7q h GLN 89 CO 0.05 0.92 0.09 0.00 -0.67 0.00 0.00 178.83 179.22 1i7q h ALA 90 N 1.08 0.18 -0.42 3.87 0.00 -0.94 -0.55 119.26 122.49 1i7q h ALA 90 Ca 0.10 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1i7q h ALA 90 Cb 0.72 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1i7q h ALA 90 CO 0.06 -0.34 0.15 0.82 0.00 0.00 0.00 179.25 179.93 1i7q h ILE 91 N 0.18 0.88 -0.79 0.00 2.04 -0.79 0.11 117.51 119.13 1i7q h ILE 91 Ca 0.06 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 65.90 1i7q h ILE 91 Cb -0.01 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 1i7q h ILE 91 CO -0.02 0.06 0.43 0.58 0.00 0.00 0.00 178.15 179.20 1i7q h VAL 92 N 0.32 0.87 -0.21 1.67 2.07 -0.77 -1.30 116.25 118.91 1i7q h VAL 92 Ca 0.19 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1i7q h VAL 92 Cb 0.18 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1i7q h VAL 92 CO -0.19 0.13 -0.18 -0.33 0.02 0.00 0.00 177.57 177.02 1i7q h GLU 93 N 0.71 0.49 -0.34 1.57 5.08 -0.48 0.15 114.58 121.77 1i7q h GLU 93 Ca 0.39 -0.25 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1i7q h GLU 93 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1i7q h GLU 93 CO -0.26 0.82 0.28 0.00 -1.00 0.00 0.00 179.01 178.84 1i7q h ALA 94 N 0.66 2.18 -0.01 3.43 0.00 0.07 0.21 119.26 125.80 1i7q h ALA 94 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i7q h ALA 94 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1i7q h ALA 94 CO 0.05 -0.45 -0.22 0.66 0.00 0.00 0.00 179.25 179.29 1i7q n TYR 95 N -4.16 0.00 0.00 0.00 4.02 -0.57 -4.91 117.16 111.53 1i7q n TYR 95 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1i7q n TYR 95 Cb 0.45 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1i7q n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i7q n GLY 96 N 1.34 0.86 3.11 2.72 0.00 0.06 -4.77 105.19 108.51 1i7q n GLY 96 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1i7q n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i7q n GLY 97 N -1.49 -0.70 3.46 -0.02 0.00 0.51 -4.86 105.19 102.09 1i7q n GLY 97 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1i7q n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i7q s GLN 98 N -5.07 1.74 -0.11 1.61 -0.21 0.17 -4.31 119.66 113.48 1i7q s GLN 98 Ca 0.58 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1i7q s GLN 98 Cb -0.02 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.94 1i7q s GLN 98 CO 0.40 0.48 -0.09 0.08 -2.12 0.00 0.00 175.29 174.04 1i7q s VAL 99 N -1.09 1.09 0.31 1.09 1.01 -1.26 -0.19 120.40 121.36 1i7q s VAL 99 Ca 0.17 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1i7q s VAL 99 Cb -0.10 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1i7q s VAL 99 CO 0.08 0.37 0.55 -0.83 0.00 0.00 0.00 175.10 175.28 1i7q s GLY 100 N 1.50 0.78 0.02 4.51 0.00 -0.69 -4.93 107.32 108.50 1i7q s GLY 100 Ca 0.01 -1.03 -0.38 0.00 0.00 0.00 0.00 44.72 43.33 1i7q s GLY 100 CO -0.06 -0.66 1.38 -1.06 0.00 0.00 0.00 173.10 172.70 1i7q n GLN 101 N -0.47 1.05 -1.59 2.90 1.13 -1.26 -0.84 117.38 118.29 1i7q n GLN 101 Ca -0.02 0.38 -0.32 0.00 -1.94 0.00 0.00 57.00 55.09 1i7q n GLN 101 Cb 0.61 -2.02 0.06 0.00 0.11 0.00 0.00 30.24 29.01 1i7q n GLN 101 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i7q s ALA 102 N 0.93 2.38 -0.55 -1.58 0.00 0.99 -4.72 121.76 119.22 1i7q s ALA 102 Ca 0.87 0.48 0.25 0.00 0.00 0.00 0.00 51.96 53.55 1i7q s ALA 102 Cb -1.00 -3.31 0.57 0.00 0.00 0.00 0.00 23.12 19.38 1i7q s ALA 102 CO 0.51 -1.46 1.69 0.78 0.00 0.00 0.00 175.76 177.28 1i7q h GLY 103 N -0.34 0.00 -5.83 0.00 0.00 -1.93 -3.43 103.07 91.55 1i7q h GLY 103 Ca -0.46 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.50 1i7q h GLY 103 CO 0.53 0.00 -0.77 -0.54 0.00 0.00 0.00 176.54 175.76 1i7q s GLU 104 N -3.18 0.64 -0.21 4.80 0.41 -1.26 -5.14 118.70 114.77 1i7q s GLU 104 Ca 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 54.97 54.49 1i7q s GLU 104 Cb 0.08 -0.65 0.01 0.00 -1.78 0.00 0.00 34.13 31.79 1i7q s GLU 104 CO 0.63 0.01 -0.12 0.42 -0.49 0.00 0.00 175.26 175.72 1i7q s ILE 105 N 0.44 2.69 -0.09 -1.63 1.01 -1.26 -4.95 121.20 117.40 1i7q s ILE 105 Ca -0.05 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1i7q s ILE 105 Cb -0.09 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1i7q s ILE 105 CO -0.00 0.43 -0.18 -0.76 0.00 0.00 0.00 174.94 174.43 1i7q s LEU 106 N 1.36 1.88 -0.17 2.97 1.02 -1.25 -5.08 118.68 119.41 1i7q s LEU 106 Ca 0.04 -0.46 -0.00 0.00 0.02 0.00 0.00 54.13 53.73 1i7q s LEU 106 Cb -0.14 -1.17 0.04 0.00 0.02 0.00 0.00 46.19 44.94 1i7q s LEU 106 CO -0.08 0.09 -0.06 -1.00 0.02 0.00 0.00 176.35 175.32 1i7q s HIS 107 N 0.61 1.85 -0.07 0.29 3.76 -1.25 -2.81 115.29 117.67 1i7q s HIS 107 Ca -0.14 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.57 1i7q s HIS 107 Cb -0.16 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1i7q s HIS 107 CO 0.04 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 173.70 1i7q n GLY 108 N 4.83 0.37 3.23 -2.22 0.00 -0.21 -4.98 105.19 106.21 1i7q n GLY 108 Ca -0.12 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1i7q n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7q s LYS 109 N -3.50 1.02 0.13 1.61 1.02 -1.23 -4.99 119.74 113.80 1i7q s LYS 109 Ca 0.00 -1.42 0.06 0.00 0.02 0.00 0.00 55.97 54.62 1i7q s LYS 109 Cb 0.00 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 1i7q s LYS 109 CO 0.00 0.06 0.02 0.00 -0.92 0.00 0.00 175.35 174.51 1i7q s ALA 110 N -3.35 3.30 -0.00 5.17 0.00 -1.26 -1.10 121.76 124.52 1i7q s ALA 110 Ca 0.16 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1i7q s ALA 110 Cb 0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1i7q s ALA 110 CO -0.00 0.59 -0.08 0.45 0.00 0.00 0.00 175.76 176.72 1i7q s SER 111 N -2.68 0.90 -0.51 0.00 0.15 -0.43 -4.91 113.70 106.23 1i7q s SER 111 Ca 0.27 -0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.52 1i7q s SER 111 Cb -0.11 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1i7q s SER 111 CO 0.19 0.07 0.85 0.00 1.20 0.00 0.00 173.24 175.55 1i7q s ALA 112 N -0.27 3.23 0.05 5.45 0.00 -1.26 -0.71 121.76 128.25 1i7q s ALA 112 Ca 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1i7q s ALA 112 Cb -0.03 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1i7q s ALA 112 CO -0.00 -2.18 0.32 0.96 0.00 0.00 0.00 175.76 174.86 1i7q s ILE 113 N 3.55 5.22 -0.05 0.00 -4.36 -0.20 -4.69 121.20 120.66 1i7q s ILE 113 Ca 0.28 0.24 -0.25 0.00 -0.26 0.00 0.00 60.65 60.67 1i7q s ILE 113 Cb -0.13 -3.60 -0.04 0.00 1.25 0.00 0.00 42.46 39.94 1i7q s ILE 113 CO 0.19 0.30 0.76 0.00 0.24 0.00 0.00 174.94 176.43 1i7q s ALA 114 N -1.37 3.30 0.27 2.27 0.00 -0.15 -0.53 121.76 125.55 1i7q s ALA 114 Ca 0.31 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1i7q s ALA 114 Cb -0.13 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1i7q s ALA 114 CO 0.18 -0.12 -0.00 -3.38 0.00 0.00 0.00 175.76 172.43 1i7q s HIS 115 N 0.83 1.78 -2.07 0.00 -3.43 -1.26 -0.64 115.29 110.49 1i7q s HIS 115 Ca 0.40 -0.87 0.20 0.00 -0.80 0.00 0.00 55.06 54.00 1i7q s HIS 115 Cb -0.18 -1.06 1.08 0.00 -1.43 0.00 0.00 32.58 30.98 1i7q s HIS 115 CO 0.20 0.07 1.71 -0.40 -2.00 0.00 0.00 174.74 174.32 1i7q n ASP 116 N -0.54 0.41 -1.27 7.38 5.68 -0.21 -4.89 116.55 123.11 1i7q n ASP 116 Ca -0.04 -1.46 -0.15 0.00 -0.50 0.00 0.00 54.79 52.64 1i7q n ASP 116 Cb 0.64 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.54 1i7q n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7q n GLY 117 N 0.89 1.44 3.92 6.12 0.00 -1.26 -4.96 105.19 111.33 1i7q n GLY 117 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1i7q n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7q s GLU 118 N -3.23 3.34 3.01 1.61 0.41 -1.26 -3.73 118.70 118.85 1i7q s GLU 118 Ca 0.00 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 1i7q s GLU 118 Cb 0.00 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 1i7q s GLU 118 CO 0.00 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 1i7q n GLY 119 N -0.63 2.83 0.33 -1.39 0.00 -1.26 -0.96 105.19 104.11 1i7q n GLY 119 Ca -0.07 0.30 0.18 0.00 0.00 0.00 0.00 46.02 46.42 1i7q n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7q h MET 120 N 0.00 0.00 -0.07 1.61 -0.00 -1.94 0.13 114.93 114.65 1i7q h MET 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1i7q h MET 120 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1i7q h MET 120 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.91 178.10 1i7q n PHE 121 N -3.58 0.08 -1.69 -0.10 3.72 -0.14 -4.65 117.46 111.11 1i7q n PHE 121 Ca 0.00 -0.04 -0.44 0.00 -0.05 0.00 0.00 57.45 56.92 1i7q n PHE 121 Cb 0.28 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 1i7q n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i7q n ALA 122 N -0.02 1.81 -0.41 4.37 0.00 0.44 -1.88 120.51 124.82 1i7q n ALA 122 Ca 0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1i7q n ALA 122 Cb 0.28 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1i7q n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7q n GLY 123 N 4.01 2.16 3.81 0.00 0.00 -1.26 -5.02 105.19 108.89 1i7q n GLY 123 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1i7q n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i7q s MET 124 N -0.01 3.78 0.53 1.61 1.00 -0.79 -5.00 119.30 120.42 1i7q s MET 124 Ca 0.00 1.21 -0.22 0.00 0.00 0.00 0.00 55.69 56.68 1i7q s MET 124 Cb 0.00 -2.10 -0.06 0.00 0.00 0.00 0.00 34.83 32.67 1i7q s MET 124 CO 0.00 -0.43 1.28 0.00 0.00 0.00 0.00 175.02 175.87 1i7q n ALA 125 N -1.29 1.30 -3.64 3.03 0.00 -1.26 -5.00 120.51 113.65 1i7q n ALA 125 Ca 0.08 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 1i7q n ALA 125 Cb 0.53 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 17.52 1i7q n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1i7q s ASN 126 N -0.89 1.13 0.84 0.00 3.84 -1.26 -3.17 114.94 115.43 1i7q s ASN 126 Ca 0.70 0.08 -0.11 0.00 0.21 0.00 0.00 52.86 53.75 1i7q s ASN 126 Cb -0.44 0.11 0.10 0.00 -0.55 0.00 0.00 41.25 40.47 1i7q s ASN 126 CO 0.50 -0.27 1.10 -2.16 -2.79 0.00 0.00 177.10 173.49 1i7q s PRO 127 N 2.24 1.70 -0.21 0.43 0.04 -1.26 -5.07 135.00 132.87 1i7q s PRO 127 Ca 0.04 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 1i7q s PRO 127 Cb -0.13 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1i7q s PRO 127 CO -0.06 -2.04 -0.05 -1.17 0.04 0.00 0.00 177.00 173.72 1i7q s LEU 128 N -6.17 2.87 0.09 -3.56 2.96 0.31 -4.79 118.68 110.39 1i7q s LEU 128 Ca 0.63 -0.38 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 1i7q s LEU 128 Cb -0.19 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 1i7q s LEU 128 CO 0.57 0.01 1.67 -2.84 -1.32 0.00 0.00 176.35 174.44 1i7q s PRO 129 N 1.32 4.19 0.03 0.98 0.02 -1.26 -1.03 135.00 139.24 1i7q s PRO 129 Ca 0.04 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.45 1i7q s PRO 129 Cb -0.14 -3.55 -0.02 0.00 0.02 0.00 0.00 34.50 30.81 1i7q s PRO 129 CO -0.02 -0.74 -0.06 0.14 -0.33 0.00 0.00 177.00 175.99 1i7q s VAL 130 N 2.49 0.41 0.13 3.83 -7.23 0.11 -4.21 120.40 115.92 1i7q s VAL 130 Ca 0.75 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.80 1i7q s VAL 130 Cb -0.41 -0.46 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 1i7q s VAL 130 CO 0.33 -0.28 0.97 0.00 -0.31 0.00 0.00 175.10 175.81 1i7q s ALA 131 N -1.06 3.26 -0.12 1.32 0.00 -1.26 -1.31 121.76 122.60 1i7q s ALA 131 Ca -0.08 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1i7q s ALA 131 Cb -0.08 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1i7q s ALA 131 CO 0.00 -0.01 -0.15 1.03 0.00 0.00 0.00 175.76 176.63 1i7q s ARG 132 N -0.17 3.23 -0.38 0.00 0.52 -0.26 -1.33 118.95 120.55 1i7q s ARG 132 Ca 0.46 -0.72 0.11 0.00 -0.52 0.00 0.00 55.73 55.07 1i7q s ARG 132 Cb -0.24 -2.55 0.34 0.00 0.52 0.00 0.00 34.95 33.02 1i7q s ARG 132 CO 0.30 0.26 0.74 0.66 0.02 0.00 0.00 175.30 177.28 1i7q n TYR 133 N 3.38 -0.15 -3.80 -0.53 4.02 -1.23 -1.04 117.16 117.81 1i7q n TYR 133 Ca -0.18 -3.64 -0.13 0.00 -0.01 0.00 0.00 57.90 53.94 1i7q n TYR 133 Cb 0.53 -0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 39.50 1i7q n TYR 133 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 1i7q s HIS 134 N -2.06 -0.24 -0.14 -0.72 -3.43 -1.12 -4.99 115.29 102.60 1i7q s HIS 134 Ca 0.38 0.58 0.21 0.00 -0.80 0.00 0.00 55.06 55.43 1i7q s HIS 134 Cb 0.32 0.08 -0.31 0.00 -1.43 0.00 0.00 32.58 31.25 1i7q s HIS 134 CO -0.08 -0.12 0.50 0.43 -2.00 0.00 0.00 174.74 173.46 1i7q n SER 135 N 2.92 0.38 -4.76 7.38 7.64 -1.26 -3.92 113.62 122.00 1i7q n SER 135 Ca -0.13 -0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.41 1i7q n SER 135 Cb 0.58 1.83 -0.05 0.00 -1.01 0.00 0.00 64.21 65.56 1i7q n SER 135 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i7q s LEU 136 N -4.25 3.42 0.02 -3.43 1.43 -1.26 -0.01 118.68 114.59 1i7q s LEU 136 Ca -0.06 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1i7q s LEU 136 Cb 0.13 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1i7q s LEU 136 CO 0.85 -0.23 0.34 0.54 0.23 0.00 0.00 176.35 178.08 1i7q s VAL 137 N -2.34 0.06 0.35 -1.59 0.11 -0.02 -4.64 120.40 112.34 1i7q s VAL 137 Ca 0.37 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 1i7q s VAL 137 Cb -0.05 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 1i7q s VAL 137 CO 0.23 -0.29 0.70 -0.83 -3.33 0.00 0.00 175.10 171.58 1i7q s GLY 138 N -1.72 1.98 0.34 6.54 0.00 -1.26 -1.71 107.32 111.50 1i7q s GLY 138 Ca -0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 1i7q s GLY 138 CO 0.00 -0.11 0.64 -1.14 0.00 0.00 0.00 173.10 172.50 1i7q n SER 139 N -1.03 -1.86 -3.94 1.64 3.41 0.74 -4.36 113.62 108.21 1i7q n SER 139 Ca 0.01 -2.49 -0.26 0.00 -0.26 0.00 0.00 58.87 55.87 1i7q n SER 139 Cb 0.54 3.16 -0.02 0.00 -0.26 0.00 0.00 64.21 67.63 1i7q n SER 139 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1i7q n ASN 140 N -1.52 -0.68 -4.73 4.04 5.15 -1.26 -0.66 115.26 115.61 1i7q n ASN 140 Ca -0.06 -1.02 -0.42 0.00 -0.60 0.00 0.00 54.58 52.49 1i7q n ASN 140 Cb 0.53 -3.04 -0.03 0.00 -0.53 0.00 0.00 39.78 36.71 1i7q n ASN 140 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1i7q s ILE 141 N -3.93 3.41 0.74 -1.44 -1.09 -1.26 -4.16 121.20 113.47 1i7q s ILE 141 Ca 0.04 1.08 -0.12 0.00 -2.23 0.00 0.00 60.65 59.43 1i7q s ILE 141 Cb -0.02 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1i7q s ILE 141 CO 0.89 0.12 1.12 -2.16 -1.23 0.00 0.00 174.94 173.68 1i7q s PRO 142 N 0.47 2.60 0.48 2.79 0.04 -1.26 -4.98 135.00 135.14 1i7q s PRO 142 Ca 0.59 0.37 0.17 0.00 0.04 0.00 0.00 61.00 62.17 1i7q s PRO 142 Cb -0.35 -2.00 1.18 0.00 0.04 0.00 0.00 34.50 33.37 1i7q s PRO 142 CO 0.34 -1.20 2.03 0.00 0.04 0.00 0.00 177.00 178.21 1i7q h ALA 143 N -0.77 2.13 -0.01 8.56 0.00 -1.95 -2.30 119.26 124.92 1i7q h ALA 143 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i7q h ALA 143 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1i7q h ALA 143 CO 0.64 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 1i7q n ASP 145 N -4.46 0.14 -4.27 0.00 5.75 -1.26 -4.64 116.55 107.81 1i7q n ASP 145 Ca 0.06 -1.31 -0.35 0.00 -0.01 0.00 0.00 54.79 53.18 1i7q n ASP 145 Cb 0.35 -0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 40.30 1i7q n ASP 145 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1i7q s LEU 146 N -1.72 2.97 -0.07 -2.12 2.96 -0.87 -4.53 118.68 115.29 1i7q s LEU 146 Ca 0.34 -0.56 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 1i7q s LEU 146 Cb 0.16 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1i7q s LEU 146 CO 0.27 -0.06 0.72 -0.89 -1.32 0.00 0.00 176.35 175.07 1i7q s THR 147 N 1.43 5.02 -0.58 3.68 2.01 0.01 -4.77 115.64 122.44 1i7q s THR 147 Ca 0.04 1.48 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 1i7q s THR 147 Cb -0.15 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.35 1i7q s THR 147 CO -0.04 0.23 0.97 -0.69 -0.69 0.00 0.00 174.62 174.39 1i7q s VAL 148 N 0.95 4.34 -2.66 3.82 1.01 -1.26 -1.13 120.40 125.45 1i7q s VAL 148 Ca 0.38 0.20 0.26 0.00 0.00 0.00 0.00 61.98 62.82 1i7q s VAL 148 Cb -0.18 -4.59 0.35 0.00 0.00 0.00 0.00 36.38 31.96 1i7q s VAL 148 CO 0.18 -1.21 1.49 -0.46 0.00 0.00 0.00 175.10 175.09 1i7q n ASN 149 N 7.62 2.18 -3.55 3.32 6.94 -0.90 -4.91 115.26 125.96 1i7q n ASN 149 Ca 0.01 -1.70 -0.17 0.00 -0.02 0.00 0.00 54.58 52.70 1i7q n ASN 149 Cb 0.47 0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.86 1i7q n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i7q s ALA 150 N -2.05 -1.64 0.28 -2.53 0.00 -1.24 -1.04 121.76 113.53 1i7q s ALA 150 Ca 0.32 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 53.31 1i7q s ALA 150 Cb 0.20 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1i7q s ALA 150 CO 0.34 -0.36 0.60 -0.98 0.00 0.00 0.00 175.76 175.36 1i7q s ARG 151 N -1.23 1.72 -0.28 0.00 1.70 0.19 -0.26 118.95 120.79 1i7q s ARG 151 Ca -0.11 -1.20 -0.01 0.00 -0.47 0.00 0.00 55.73 53.94 1i7q s ARG 151 Cb -0.01 0.54 0.09 0.00 -0.57 0.00 0.00 34.95 35.00 1i7q s ARG 151 CO 0.09 -0.76 0.07 0.12 -1.08 0.00 0.00 175.30 173.74 1i7q s PHE 152 N -3.78 1.69 0.00 5.89 5.36 -0.51 -0.98 117.98 125.65 1i7q s PHE 152 Ca 0.18 -1.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.57 1i7q s PHE 152 Cb -0.03 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 1i7q s PHE 152 CO 0.09 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 1i7q n GLY 153 N 4.86 2.91 0.41 13.12 0.00 -1.26 -1.35 105.19 123.88 1i7q n GLY 153 Ca -0.05 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1i7q n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7q n GLU 154 N 13.53 1.43 -2.81 1.61 -0.58 -1.26 -4.91 120.64 127.66 1i7q n GLU 154 Ca 0.00 -0.83 -0.41 0.00 -0.42 0.00 0.00 57.16 55.50 1i7q n GLU 154 Cb 0.00 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 1i7q n GLU 154 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1i7q s MET 155 N -2.13 4.53 0.17 3.49 -1.94 -0.46 -5.02 119.30 117.95 1i7q s MET 155 Ca 0.34 1.27 -0.30 0.00 -1.71 0.00 0.00 55.69 55.29 1i7q s MET 155 Cb 0.21 -3.45 -0.08 0.00 2.01 0.00 0.00 34.83 33.51 1i7q s MET 155 CO 0.38 0.01 1.30 0.08 -0.01 0.00 0.00 175.02 176.78 1i7q s VAL 156 N 0.86 3.32 0.00 -6.03 1.01 -1.26 -1.43 120.40 116.87 1i7q s VAL 156 Ca 0.48 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1i7q s VAL 156 Cb -0.20 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1i7q s VAL 156 CO 0.25 0.14 0.04 0.23 0.00 0.00 0.00 175.10 175.76 1i7q n MET 157 N 2.91 6.08 -3.55 2.72 2.81 0.64 -4.71 117.12 124.02 1i7q n MET 157 Ca 0.07 -0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1i7q n MET 157 Cb 0.43 -0.52 -0.04 0.00 -0.71 0.00 0.00 33.22 32.38 1i7q n MET 157 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i7q s ALA 158 N -0.88 -1.88 0.03 3.04 0.00 -1.07 -0.70 121.76 120.30 1i7q s ALA 158 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 1i7q s ALA 158 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1i7q s ALA 158 CO 0.00 -0.44 0.09 0.14 0.00 0.00 0.00 175.76 175.55 1i7q s VAL 159 N -1.79 0.12 -0.01 0.00 -7.23 -0.50 -2.11 120.40 108.89 1i7q s VAL 159 Ca -0.00 -1.01 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 1i7q s VAL 159 Cb -0.01 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.18 1i7q s VAL 159 CO -0.01 -0.56 0.30 0.00 -0.31 0.00 0.00 175.10 174.52 1i7q s ARG 160 N -2.32 0.67 -0.33 4.82 1.70 -0.29 -0.64 118.95 122.56 1i7q s ARG 160 Ca -0.07 -0.24 0.01 0.00 -0.47 0.00 0.00 55.73 54.96 1i7q s ARG 160 Cb -0.03 0.30 0.10 0.00 -0.57 0.00 0.00 34.95 34.75 1i7q s ARG 160 CO -0.03 -0.19 0.10 0.34 -1.08 0.00 0.00 175.30 174.44 1i7q s ASP 161 N -1.40 4.25 0.19 -2.89 -1.08 0.12 -0.81 116.67 115.05 1i7q s ASP 161 Ca -0.13 -1.91 -0.11 0.00 -0.52 0.00 0.00 52.55 49.88 1i7q s ASP 161 Cb -0.05 -1.14 0.11 0.00 -1.46 0.00 0.00 42.92 40.38 1i7q s ASP 161 CO 0.03 -0.39 1.80 0.44 0.52 0.00 0.00 175.17 177.58 1i7q h ASP 162 N 7.80 0.82 -0.08 -0.34 3.45 -1.87 0.42 116.42 126.63 1i7q h ASP 162 Ca -0.09 -0.09 0.03 0.00 0.43 0.00 0.00 57.03 57.30 1i7q h ASP 162 Cb 1.01 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.54 1i7q h ASP 162 CO 0.49 0.68 -0.08 -0.09 -1.57 0.00 0.00 179.24 178.67 1i7q h ARG 163 N 0.90 -0.10 -0.01 3.56 2.43 -1.94 -2.82 114.38 116.40 1i7q h ARG 163 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1i7q h ARG 163 Cb 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1i7q h ARG 163 CO -0.04 -0.07 -0.33 0.54 -1.51 0.00 0.00 179.97 178.57 1i7q n ARG 164 N -5.21 0.81 -3.51 0.20 1.74 -1.19 -4.97 116.66 104.52 1i7q n ARG 164 Ca -0.04 -0.52 -0.19 0.00 -0.77 0.00 0.00 57.85 56.33 1i7q n ARG 164 Cb 0.14 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1i7q n ARG 164 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i7q n ARG 165 N -0.64 -5.06 -5.18 5.56 5.12 0.14 -4.53 116.66 112.07 1i7q n ARG 165 Ca 0.11 0.75 -0.32 0.00 -1.93 0.00 0.00 57.85 56.46 1i7q n ARG 165 Cb 0.37 -5.52 -0.16 0.00 -1.16 0.00 0.00 32.46 25.99 1i7q n ARG 165 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1i7q s VAL 166 N -3.48 2.26 0.06 1.55 1.01 -0.82 -1.87 120.40 119.11 1i7q s VAL 166 Ca 0.09 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1i7q s VAL 166 Cb -0.02 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1i7q s VAL 166 CO 0.77 0.57 0.43 0.00 0.00 0.00 0.00 175.10 176.87 1i7q s GLY 168 N -2.14 -0.01 -0.07 0.00 0.00 0.18 -0.77 107.32 104.52 1i7q s GLY 168 Ca -0.04 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1i7q s GLY 168 CO -0.04 -0.39 -0.18 -1.36 0.00 0.00 0.00 173.10 171.13 1i7q s PHE 169 N -2.61 1.89 0.18 1.90 0.40 -0.65 -1.42 117.98 117.68 1i7q s PHE 169 Ca -0.05 -0.68 0.14 0.00 -0.60 0.00 0.00 56.93 55.75 1i7q s PHE 169 Cb -0.01 -1.30 0.42 0.00 0.51 0.00 0.00 43.02 42.65 1i7q s PHE 169 CO -0.04 -0.28 1.62 0.37 0.70 0.00 0.00 175.22 177.59 1i7q h GLN 170 N 6.65 0.00 -7.20 0.44 5.75 -1.23 0.29 115.11 119.81 1i7q h GLN 170 Ca -0.28 0.00 -0.46 0.00 -0.15 0.00 0.00 58.65 57.76 1i7q h GLN 170 Cb 1.20 0.00 0.09 0.00 1.07 0.00 0.00 27.48 29.84 1i7q h GLN 170 CO 0.47 0.54 0.15 -0.59 -2.65 0.00 0.00 178.83 176.75 1i7q s PHE 171 N -3.48 1.93 -0.50 3.99 -0.12 -1.26 -4.07 117.98 114.46 1i7q s PHE 171 Ca -0.00 -0.07 -0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1i7q s PHE 171 Cb 0.11 -3.14 0.13 0.00 -0.63 0.00 0.00 43.02 39.49 1i7q s PHE 171 CO 0.73 -1.69 0.35 -1.01 -0.05 0.00 0.00 175.22 173.55 1i7q s HIS 172 N -3.21 3.49 -0.39 3.49 3.76 -0.44 -4.32 115.29 117.67 1i7q s HIS 172 Ca 0.65 -2.15 0.22 0.00 -0.15 0.00 0.00 55.06 53.64 1i7q s HIS 172 Cb -0.06 -3.40 1.04 0.00 1.11 0.00 0.00 32.58 31.26 1i7q s HIS 172 CO 0.45 -0.97 1.68 -0.35 -0.85 0.00 0.00 174.74 174.70 1i7q n PRO 173 N 4.57 0.17 0.00 8.40 -0.04 -1.26 -1.89 135.00 144.94 1i7q n PRO 173 Ca -0.03 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1i7q n PRO 173 Cb 0.41 -1.90 0.33 0.00 -0.04 0.00 0.00 33.50 32.30 1i7q n PRO 173 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1i7q n GLU 174 N -2.23 1.58 -2.60 0.54 0.00 -1.26 -3.82 120.64 112.84 1i7q n GLU 174 Ca 0.01 -1.09 -0.34 0.00 0.00 0.00 0.00 57.16 55.74 1i7q n GLU 174 Cb 0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 30.07 1i7q n GLU 174 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1i7q s SER 175 N -2.17 6.49 0.63 -1.84 0.15 -0.79 -4.90 113.70 111.26 1i7q s SER 175 Ca 0.30 1.86 0.40 0.00 0.70 0.00 0.00 55.95 59.21 1i7q s SER 175 Cb 0.20 -2.55 2.09 0.00 -1.71 0.00 0.00 66.02 64.05 1i7q s SER 175 CO 0.40 -0.68 2.26 -0.29 1.20 0.00 0.00 173.24 176.13 1i7q h ILE 176 N 1.62 0.08 0.00 6.45 2.10 -1.92 -2.03 117.51 123.80 1i7q h ILE 176 Ca -0.49 -0.15 -0.01 0.00 1.08 0.00 0.00 64.86 65.28 1i7q h ILE 176 Cb 1.21 1.14 -0.00 0.00 -1.09 0.00 0.00 36.82 38.08 1i7q h ILE 176 CO 0.59 0.01 -0.05 -0.07 -1.08 0.00 0.00 178.15 177.55 1i7q h LEU 177 N 0.00 0.00 -7.88 2.19 3.38 -1.91 -3.37 115.31 107.72 1i7q h LEU 177 Ca -0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 1i7q h LEU 177 Cb 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.68 1i7q h LEU 177 CO 0.00 0.05 0.62 -0.89 0.09 0.00 0.00 178.44 178.31 1i7q s THR 178 N -3.25 5.13 0.26 0.22 2.01 -0.77 -4.25 115.64 114.99 1i7q s THR 178 Ca 0.06 -2.10 -0.07 0.00 0.31 0.00 0.00 61.69 59.89 1i7q s THR 178 Cb 0.06 -4.68 0.33 0.00 0.01 0.00 0.00 72.50 68.22 1i7q s THR 178 CO 0.66 -1.34 1.61 0.74 -0.69 0.00 0.00 174.62 175.60 1i7q h THR 179 N 5.22 0.22 -0.47 -0.82 2.02 -1.74 -1.21 112.91 116.13 1i7q h THR 179 Ca 0.16 -0.02 -0.21 0.00 0.77 0.00 0.00 66.41 67.12 1i7q h THR 179 Cb 1.00 0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.46 1i7q h THR 179 CO 1.00 0.01 0.09 1.41 0.37 0.00 0.00 175.52 178.39 1i7q n HIS 180 N -5.44 1.50 0.27 3.16 8.25 -1.26 -4.69 115.22 117.02 1i7q n HIS 180 Ca 0.15 -1.48 0.12 0.00 -0.26 0.00 0.00 57.72 56.25 1i7q n HIS 180 Cb 0.51 -0.55 0.77 0.00 1.12 0.00 0.00 29.99 31.84 1i7q n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1i7q h GLY 181 N 1.29 0.00 0.83 -1.41 0.00 -1.37 -2.40 103.07 100.00 1i7q h GLY 181 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1i7q h GLY 181 CO 0.51 0.00 0.03 0.00 0.00 0.00 0.00 176.54 177.07 1i7q h ALA 182 N 1.94 0.11 -0.60 3.60 0.00 -1.81 0.71 119.26 123.19 1i7q h ALA 182 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i7q h ALA 182 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1i7q h ALA 182 CO 0.01 -0.29 0.36 -0.09 0.00 0.00 0.00 179.25 179.24 1i7q h ARG 183 N -0.06 0.82 -0.20 0.00 2.43 -1.86 -0.60 114.38 114.91 1i7q h ARG 183 Ca 0.03 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1i7q h ARG 183 Cb 0.21 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1i7q h ARG 183 CO -0.00 0.59 -0.09 1.25 -1.51 0.00 0.00 179.97 180.21 1i7q h LEU 184 N 0.82 -0.31 -0.79 3.80 6.46 -1.13 -0.94 115.31 123.22 1i7q h LEU 184 Ca 0.22 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1i7q h LEU 184 Cb -0.02 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1i7q h LEU 184 CO -0.04 -0.12 0.52 0.25 -0.62 0.00 0.00 178.44 178.42 1i7q h LEU 185 N -0.07 0.92 -0.58 2.25 6.46 -0.44 -0.94 115.31 122.92 1i7q h LEU 185 Ca 0.11 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1i7q h LEU 185 Cb 0.23 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1i7q h LEU 185 CO -0.24 0.68 0.36 -0.08 -0.62 0.00 0.00 178.44 178.53 1i7q h GLU 186 N 1.08 0.78 0.00 1.25 4.81 -0.64 -1.22 114.58 120.63 1i7q h GLU 186 Ca 0.29 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1i7q h GLU 186 Cb -0.11 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1i7q h GLU 186 CO -0.06 0.55 -0.36 1.96 -0.73 0.00 0.00 179.01 180.37 1i7q h GLN 187 N 0.78 0.00 -0.10 1.92 4.20 -0.68 -2.13 115.11 119.10 1i7q h GLN 187 Ca 0.21 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 1i7q h GLN 187 Cb -0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1i7q h GLN 187 CO -0.04 0.36 -0.46 1.15 -0.67 0.00 0.00 178.83 179.17 1i7q h THR 188 N 0.00 1.37 -0.67 -0.54 2.02 -0.70 -0.24 112.91 114.15 1i7q h THR 188 Ca -0.00 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.36 1i7q h THR 188 Cb 0.74 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 1i7q h THR 188 CO 0.05 0.54 0.31 0.25 0.37 0.00 0.00 175.52 177.04 1i7q h LEU 189 N 0.08 0.89 -0.18 2.58 5.85 -1.12 0.11 115.31 123.52 1i7q h LEU 189 Ca -0.03 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1i7q h LEU 189 Cb 1.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1i7q h LEU 189 CO 0.10 0.78 0.08 0.00 -0.34 0.00 0.00 178.44 179.06 1i7q h ALA 190 N 1.14 0.21 -0.89 1.25 0.00 -1.33 -1.96 119.26 117.68 1i7q h ALA 190 Ca 0.23 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1i7q h ALA 190 Cb 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1i7q h ALA 190 CO -0.03 -0.34 0.59 2.35 0.00 0.00 0.00 179.25 181.82 1i7q h TRP 191 N 0.18 1.06 -0.44 0.00 7.01 -0.64 0.36 115.95 123.48 1i7q h TRP 191 Ca 0.07 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.00 1i7q h TRP 191 Cb 0.02 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.71 1i7q h TRP 191 CO -0.10 0.59 -0.15 0.00 -2.79 0.00 0.00 178.44 176.00 1i7q h ALA 192 N 1.49 0.91 0.00 2.65 0.00 -0.34 -3.21 119.26 120.76 1i7q h ALA 192 Ca 0.37 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1i7q h ALA 192 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1i7q h ALA 192 CO -0.12 0.63 -1.51 1.28 0.00 0.00 0.00 179.25 179.53 1i7q n LEU 193 N -4.14 0.84 -4.33 0.00 4.77 -0.78 -4.64 117.00 108.73 1i7q n LEU 193 Ca 0.01 0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 56.00 1i7q n LEU 193 Cb 0.40 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1i7q n LEU 193 CO 0.44 0.21 1.89 0.00 -1.33 0.00 0.00 177.39 178.60 1i7q n ALA 194 N -2.44 3.04 0.00 -1.18 0.00 0.12 -5.10 120.51 114.96 1i7q n ALA 194 Ca -0.12 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1i7q n ALA 194 Cb 0.89 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.79 1i7q n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86