#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqg n MET 3 N 0.00 -1.51 0.23 0.00 0.00 -1.26 -4.87 117.12 109.71 1kqg n MET 3 Ca 0.00 1.14 0.07 0.00 0.00 0.00 0.00 57.70 58.90 1kqg n MET 3 Cb 0.00 -5.53 0.54 0.00 0.00 0.00 0.00 33.22 28.24 1kqg n MET 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1kqg h GLU 4 N 0.00 0.00 -0.00 0.03 3.07 -2.05 -1.87 114.58 113.76 1kqg h GLU 4 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1kqg h GLU 4 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1kqg h GLU 4 CO 0.55 0.17 -0.22 0.25 -1.40 0.00 0.00 179.01 178.36 1kqg n THR 5 N -4.22 0.00 -3.91 1.13 -2.24 -1.26 -4.93 114.28 98.85 1kqg n THR 5 Ca -0.02 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 1kqg n THR 5 Cb 0.24 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1kqg n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kqg n GLN 6 N -1.49 -3.32 -1.93 -0.78 6.02 -0.71 -4.76 117.38 110.41 1kqg n GLN 6 Ca 0.07 0.40 0.01 0.00 -0.01 0.00 0.00 57.00 57.47 1kqg n GLN 6 Cb 0.34 -5.13 0.04 0.00 1.02 0.00 0.00 30.24 26.51 1kqg n GLN 6 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1kqg n ASP 7 N -2.52 1.44 -4.52 1.08 5.75 -1.21 -1.34 116.55 115.23 1kqg n ASP 7 Ca 0.05 -2.23 -0.43 0.00 -0.01 0.00 0.00 54.79 52.17 1kqg n ASP 7 Cb 0.50 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 1kqg n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1kqg s ILE 8 N -1.80 4.41 -0.18 2.12 -1.09 -0.31 -0.52 121.20 123.83 1kqg s ILE 8 Ca 0.33 0.24 0.19 0.00 -2.23 0.00 0.00 60.65 59.17 1kqg s ILE 8 Cb 0.36 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1kqg s ILE 8 CO -0.11 -1.10 1.01 0.16 -1.23 0.00 0.00 174.94 173.67 1kqg h ILE 9 N 6.01 0.33 -3.50 2.92 3.07 -1.28 -3.39 117.51 121.67 1kqg h ILE 9 Ca -0.26 -1.61 -0.18 0.00 1.55 0.00 0.00 64.86 64.36 1kqg h ILE 9 Cb 1.07 1.88 -0.25 0.00 -0.27 0.00 0.00 36.82 39.26 1kqg h ILE 9 CO 1.08 0.19 -0.56 -0.54 -1.05 0.00 0.00 178.15 177.27 1kqg s LYS 10 N -3.10 0.24 -0.08 0.16 1.02 -1.20 -4.91 119.74 111.87 1kqg s LYS 10 Ca -0.01 -0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 1kqg s LYS 10 Cb 0.09 0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.54 1kqg s LYS 10 CO 0.79 -0.04 0.18 0.50 -0.92 0.00 0.00 175.35 175.85 1kqg s ARG 11 N -0.42 0.12 0.55 1.68 3.52 -1.26 -1.40 118.95 121.73 1kqg s ARG 11 Ca -0.05 0.44 -0.21 0.00 -0.13 0.00 0.00 55.73 55.79 1kqg s ARG 11 Cb -0.03 -0.17 -0.06 0.00 -1.56 0.00 0.00 34.95 33.13 1kqg s ARG 11 CO 0.00 -0.18 1.12 -1.13 -0.81 0.00 0.00 175.30 174.30 1kqg n SER 12 N 4.35 1.56 -3.97 -2.12 3.41 -0.01 -3.63 113.62 113.20 1kqg n SER 12 Ca -0.24 0.91 -0.28 0.00 -0.26 0.00 0.00 58.87 59.00 1kqg n SER 12 Cb 0.52 -1.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 1kqg n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqg n ALA 13 N -1.26 -2.13 -3.64 7.33 0.00 -1.25 -2.06 120.51 117.50 1kqg n ALA 13 Ca 0.12 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1kqg n ALA 13 Cb 0.45 -1.84 -0.17 0.00 0.00 0.00 0.00 19.45 17.89 1kqg n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kqg s THR 14 N -3.92 0.78 0.43 0.00 2.01 -1.24 -4.26 115.64 109.45 1kqg s THR 14 Ca 0.10 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 1kqg s THR 14 Cb -0.04 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 1kqg s THR 14 CO 0.91 0.29 1.28 -3.20 -0.69 0.00 0.00 174.62 173.21 1kqg n ASN 15 N 4.27 2.57 0.29 3.53 2.85 -1.26 -4.87 115.26 122.63 1kqg n ASN 15 Ca -0.20 1.10 0.19 0.00 -0.11 0.00 0.00 54.58 55.56 1kqg n ASN 15 Cb 0.51 -1.51 0.93 0.00 1.24 0.00 0.00 39.78 40.95 1kqg n ASN 15 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1kqg h SER 16 N 2.04 0.00 -0.25 1.20 4.64 -1.99 -1.47 113.55 117.72 1kqg h SER 16 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1kqg h SER 16 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1kqg h SER 16 CO 0.60 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.86 1kqg n ILE 17 N -2.99 0.32 -3.37 0.95 -5.35 -1.26 -4.42 119.36 103.25 1kqg n ILE 17 Ca -0.01 -0.47 -0.26 0.00 -0.27 0.00 0.00 62.75 61.74 1kqg n ILE 17 Cb 0.17 0.50 -0.08 0.00 -1.74 0.00 0.00 39.64 38.49 1kqg n ILE 17 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1kqg n THR 18 N 0.65 0.56 -1.83 7.28 -2.24 -0.55 -5.13 114.28 113.01 1kqg n THR 18 Ca 0.16 -4.46 -0.33 0.00 -2.27 0.00 0.00 64.05 57.16 1kqg n THR 18 Cb 0.40 -2.00 0.04 0.00 -2.10 0.00 0.00 70.33 66.67 1kqg n THR 18 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1kqg s PRO 19 N -1.52 2.97 0.79 -0.78 0.05 -1.26 -4.62 135.00 130.63 1kqg s PRO 19 Ca 0.36 1.30 -0.10 0.00 0.05 0.00 0.00 61.00 62.60 1kqg s PRO 19 Cb 0.13 -1.98 0.07 0.00 0.05 0.00 0.00 34.50 32.77 1kqg s PRO 19 CO -0.09 -1.10 1.10 -1.25 0.05 0.00 0.00 177.00 175.70 1kqg s PRO 20 N -4.16 2.08 0.06 0.56 0.04 -1.26 -4.94 135.00 127.39 1kqg s PRO 20 Ca 0.65 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1kqg s PRO 20 Cb -0.18 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1kqg s PRO 20 CO 0.41 -1.78 1.89 0.45 0.04 0.00 0.00 177.00 178.01 1kqg n SER 21 N -3.62 3.98 -2.73 6.66 2.88 -1.26 -4.83 113.62 114.71 1kqg n SER 21 Ca 0.09 0.95 -0.02 0.00 -1.33 0.00 0.00 58.87 58.56 1kqg n SER 21 Cb 0.53 -1.51 0.10 0.00 -0.75 0.00 0.00 64.21 62.58 1kqg n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kqg n GLN 22 N 6.48 1.45 0.01 -1.46 10.64 -1.25 -1.16 117.38 132.09 1kqg n GLN 22 Ca 0.19 -2.12 -0.11 0.00 -1.83 0.00 0.00 57.00 53.14 1kqg n GLN 22 Cb 0.37 -0.36 0.02 0.00 -0.86 0.00 0.00 30.24 29.42 1kqg n GLN 22 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 1kqg h VAL 23 N 4.22 1.33 -0.41 -0.39 3.04 -1.80 -3.29 116.25 118.95 1kqg h VAL 23 Ca -0.31 -1.92 -0.60 0.00 -1.01 0.00 0.00 66.70 62.85 1kqg h VAL 23 Cb 1.28 1.90 -0.05 0.00 -2.01 0.00 0.00 31.29 32.41 1kqg h VAL 23 CO -0.02 0.60 2.49 0.54 -1.01 0.00 0.00 177.57 180.17 1kqg n ARG 24 N -3.92 3.57 -0.36 4.17 1.74 -0.45 -4.61 116.66 116.80 1kqg n ARG 24 Ca -0.04 -2.37 0.12 0.00 -0.77 0.00 0.00 57.85 54.79 1kqg n ARG 24 Cb 0.66 -2.57 0.32 0.00 -1.02 0.00 0.00 32.46 29.85 1kqg n ARG 24 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1kqg n ASP 25 N 2.66 3.93 -4.38 0.55 5.75 -1.24 -4.45 116.55 119.38 1kqg n ASP 25 Ca 0.66 -2.00 -0.44 0.00 -0.01 0.00 0.00 54.79 53.00 1kqg n ASP 25 Cb 0.37 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1kqg n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kqg n TYR 26 N 1.65 4.75 -3.87 2.11 9.36 -1.26 -4.93 117.16 124.96 1kqg n TYR 26 Ca 0.24 -3.36 -0.12 0.00 3.32 0.00 0.00 57.90 57.99 1kqg n TYR 26 Cb 0.62 -2.08 -0.13 0.00 -0.63 0.00 0.00 39.34 37.12 1kqg n TYR 26 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1kqg s LYS 27 N 0.98 0.15 0.40 2.98 1.02 -1.26 -5.14 119.74 118.87 1kqg s LYS 27 Ca 0.41 -0.08 -0.25 0.00 0.02 0.00 0.00 55.97 56.06 1kqg s LYS 27 Cb -0.02 0.06 -0.08 0.00 -0.52 0.00 0.00 37.83 37.27 1kqg s LYS 27 CO -0.01 -0.03 1.19 0.00 -0.92 0.00 0.00 175.35 175.59 1kqg s ALA 28 N -0.36 3.17 0.19 5.17 0.00 -1.26 -4.72 121.76 123.95 1kqg s ALA 28 Ca -0.04 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1kqg s ALA 28 Cb -0.03 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1kqg s ALA 28 CO 0.00 -0.58 1.16 -1.21 0.00 0.00 0.00 175.76 175.13 1kqg s GLU 29 N -2.28 4.53 0.40 0.00 2.02 -1.26 -4.57 118.70 117.55 1kqg s GLU 29 Ca 0.57 1.83 0.08 0.00 0.02 0.00 0.00 54.97 57.47 1kqg s GLU 29 Cb -0.32 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 1kqg s GLU 29 CO 0.40 -0.02 0.45 0.14 0.02 0.00 0.00 175.26 176.25 1kqg s VAL 30 N -0.21 2.98 -0.09 2.63 -7.23 -0.55 0.18 120.40 118.10 1kqg s VAL 30 Ca 0.51 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 1kqg s VAL 30 Cb -0.32 -3.05 0.08 0.00 0.56 0.00 0.00 36.38 33.66 1kqg s VAL 30 CO 0.37 -0.03 0.76 0.00 -0.31 0.00 0.00 175.10 175.89 1kqg s ALA 31 N -2.39 -1.81 -0.08 1.32 0.00 -0.16 -4.36 121.76 114.27 1kqg s ALA 31 Ca 0.50 1.43 -0.05 0.00 0.00 0.00 0.00 51.96 53.84 1kqg s ALA 31 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1kqg s ALA 31 CO 0.30 -0.35 0.13 0.21 0.00 0.00 0.00 175.76 176.05 1kqg s LYS 32 N -1.06 3.36 -0.19 0.00 2.20 0.26 -2.37 119.74 121.95 1kqg s LYS 32 Ca -0.08 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1kqg s LYS 32 Cb -0.00 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1kqg s LYS 32 CO 0.07 0.74 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.50 1kqg s LEU 33 N -1.26 2.16 -0.38 5.43 2.96 0.17 -1.57 118.68 126.19 1kqg s LEU 33 Ca 0.18 -0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1kqg s LEU 33 Cb -0.12 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.32 1kqg s LEU 33 CO 0.08 -0.10 0.21 -0.63 -1.32 0.00 0.00 176.35 174.59 1kqg s ILE 34 N 1.39 4.62 -0.72 6.68 1.01 0.75 -0.60 121.20 134.33 1kqg s ILE 34 Ca 0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 1kqg s ILE 34 Cb -0.15 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 38.85 1kqg s ILE 34 CO -0.09 -0.24 0.89 -0.62 0.00 0.00 0.00 174.94 174.88 1kqg s ASP 35 N 1.56 6.34 0.54 3.58 2.15 0.06 -1.13 116.67 129.78 1kqg s ASP 35 Ca 0.02 -1.58 0.36 0.00 0.43 0.00 0.00 52.55 51.78 1kqg s ASP 35 Cb -0.19 -2.35 1.72 0.00 -0.30 0.00 0.00 42.92 41.80 1kqg s ASP 35 CO 0.07 -1.15 2.07 -0.37 -0.17 0.00 0.00 175.17 175.62 1kqg h VAL 36 N 5.82 0.00 0.00 1.11 -1.51 -1.71 -1.23 116.25 118.74 1kqg h VAL 36 Ca -0.14 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1kqg h VAL 36 Cb 1.06 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1kqg h VAL 36 CO 1.10 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.90 1kqg n SER 37 N -2.90 0.19 -0.27 4.19 3.41 -1.26 -2.57 113.62 114.41 1kqg n SER 37 Ca -0.01 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1kqg n SER 37 Cb 0.18 -0.59 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 1kqg n SER 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1kqg n THR 38 N -1.71 0.00 -2.41 6.66 -1.04 -0.47 -5.02 114.28 110.29 1kqg n THR 38 Ca 0.03 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.05 61.20 1kqg n THR 38 Cb 0.20 1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 69.82 1kqg n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kqg n ILE 40 N 2.86 1.04 -3.57 0.00 -5.35 -1.26 -4.91 119.36 108.16 1kqg n ILE 40 Ca 0.05 -1.03 -0.25 0.00 -0.27 0.00 0.00 62.75 61.26 1kqg n ILE 40 Cb 0.45 0.48 0.07 0.00 -1.74 0.00 0.00 39.64 38.90 1kqg n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kqg n GLY 41 N 0.44 -0.54 0.16 3.28 0.00 -1.26 -4.89 105.19 102.38 1kqg n GLY 41 Ca 0.11 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.49 1kqg n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg n LYS 43 N -2.71 -0.76 -0.34 0.00 5.02 -1.26 -4.91 118.16 113.20 1kqg n LYS 43 Ca 0.04 0.40 0.03 0.00 -2.02 0.00 0.00 58.31 56.75 1kqg n LYS 43 Cb 0.49 -4.10 0.17 0.00 -0.02 0.00 0.00 35.03 31.58 1kqg n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kqg h ALA 44 N 0.00 1.32 -0.38 7.82 0.00 -1.96 -0.55 119.26 125.50 1kqg h ALA 44 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1kqg h ALA 44 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1kqg h ALA 44 CO 0.08 0.32 0.12 0.00 0.00 0.00 0.00 179.25 179.77 1kqg h GLN 46 N 0.54 0.19 -0.25 0.00 4.20 -1.40 -2.16 115.11 116.23 1kqg h GLN 46 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1kqg h GLN 46 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1kqg h GLN 46 CO -0.01 0.46 0.14 0.28 -0.67 0.00 0.00 178.83 179.02 1kqg h VAL 47 N -0.09 1.12 -0.71 -0.54 2.07 -1.04 -1.78 116.25 115.29 1kqg h VAL 47 Ca 0.03 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1kqg h VAL 47 Cb 0.37 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1kqg h VAL 47 CO 0.01 0.12 0.32 0.00 0.02 0.00 0.00 177.57 178.04 1kqg h ALA 48 N 1.01 1.24 0.16 1.67 0.00 -0.57 -1.20 119.26 121.57 1kqg h ALA 48 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1kqg h ALA 48 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1kqg h ALA 48 CO -0.01 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 1kqg h SER 50 N -0.45 0.73 0.13 0.00 0.02 -1.20 -0.73 113.55 112.05 1kqg h SER 50 Ca -0.02 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1kqg h SER 50 Cb 0.35 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1kqg h SER 50 CO 0.04 0.74 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.32 1kqg h GLU 51 N 0.74 -0.17 -0.48 3.45 4.22 -1.08 -1.99 114.58 119.28 1kqg h GLU 51 Ca 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1kqg h GLU 51 Cb 0.33 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1kqg h GLU 51 CO 0.00 0.03 0.26 2.35 -2.18 0.00 0.00 179.01 179.47 1kqg h TRP 52 N -0.35 0.67 -0.00 0.92 2.91 -0.82 -3.06 115.95 116.21 1kqg h TRP 52 Ca -0.02 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1kqg h TRP 52 Cb 0.28 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1kqg h TRP 52 CO -0.02 0.50 -0.02 0.09 -1.03 0.00 0.00 178.44 177.97 1kqg n ASN 53 N -4.66 0.46 -2.92 2.65 3.02 -0.30 -4.94 115.26 108.58 1kqg n ASN 53 Ca 0.02 -1.00 -0.20 0.00 -0.03 0.00 0.00 54.58 53.37 1kqg n ASN 53 Cb 0.09 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 1kqg n ASN 53 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1kqg n ASP 54 N -0.71 -5.65 -4.31 6.41 8.00 -0.78 -5.03 116.55 114.47 1kqg n ASP 54 Ca 0.20 -0.37 -0.26 0.00 0.71 0.00 0.00 54.79 55.07 1kqg n ASP 54 Cb 0.21 -4.35 -0.13 0.00 -0.02 0.00 0.00 41.12 36.83 1kqg n ASP 54 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1kqg s ILE 55 N -3.20 1.90 -0.04 0.53 -4.36 -0.99 -5.07 121.20 109.97 1kqg s ILE 55 Ca 0.40 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 59.29 1kqg s ILE 55 Cb -0.18 -1.68 0.03 0.00 1.25 0.00 0.00 42.46 41.88 1kqg s ILE 55 CO 0.50 0.10 0.04 -0.13 0.24 0.00 0.00 174.94 175.69 1kqg s ARG 56 N -1.68 0.09 1.03 0.37 1.81 -1.26 -4.56 118.95 114.76 1kqg s ARG 56 Ca 0.09 0.26 -0.17 0.00 -1.72 0.00 0.00 55.73 54.19 1kqg s ARG 56 Cb -0.10 -0.53 0.23 0.00 -0.45 0.00 0.00 34.95 34.10 1kqg s ARG 56 CO 0.04 -0.27 1.29 0.34 -0.68 0.00 0.00 175.30 176.02 1kqg s ASP 57 N 1.77 2.46 0.56 0.23 -1.08 -1.24 -4.90 116.67 114.48 1kqg s ASP 57 Ca 0.00 0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 52.24 1kqg s ASP 57 Cb -0.12 -0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 40.96 1kqg s ASP 57 CO -0.03 -3.14 0.93 -1.83 0.52 0.00 0.00 175.17 171.62 1kqg s GLU 58 N -5.82 3.57 -0.52 4.34 -1.05 -1.26 -5.00 118.70 112.96 1kqg s GLU 58 Ca 0.74 0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 55.80 1kqg s GLU 58 Cb -0.04 -2.20 0.03 0.00 -0.44 0.00 0.00 34.13 31.48 1kqg s GLU 58 CO 0.54 -0.42 1.18 0.08 0.95 0.00 0.00 175.26 177.59 1kqg s VAL 59 N -3.00 4.10 0.00 1.83 1.01 -1.26 -5.00 120.40 118.07 1kqg s VAL 59 Ca 0.52 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1kqg s VAL 59 Cb -0.11 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1kqg s VAL 59 CO 0.50 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 175.06 1kqg n GLY 60 N 4.97 1.34 3.26 4.51 0.00 -1.26 -5.13 105.19 112.88 1kqg n GLY 60 Ca 0.11 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1kqg n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kqg s HIS 61 N 1.48 1.30 -0.23 1.61 3.76 -1.26 -5.13 115.29 116.83 1kqg s HIS 61 Ca 0.00 -0.75 -0.14 0.00 -0.15 0.00 0.00 55.06 54.02 1kqg s HIS 61 Cb 0.00 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1kqg s HIS 61 CO 0.00 0.10 0.33 0.00 -0.85 0.00 0.00 174.74 174.31 1kqg n VAL 63 N 4.53 2.10 0.00 0.00 0.24 -1.26 -4.95 118.33 118.99 1kqg n VAL 63 Ca -0.10 -2.89 0.00 0.00 -2.04 0.00 0.00 64.34 59.31 1kqg n VAL 63 Cb 0.51 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1kqg n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kqg n GLY 64 N -1.23 0.82 3.16 7.63 0.00 -1.26 -5.10 105.19 109.20 1kqg n GLY 64 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1kqg n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kqg s VAL 65 N -2.00 0.43 0.34 1.61 -7.23 -1.26 -5.05 120.40 107.24 1kqg s VAL 65 Ca 0.00 -1.91 0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1kqg s VAL 65 Cb 0.00 -1.82 0.06 0.00 0.56 0.00 0.00 36.38 35.18 1kqg s VAL 65 CO 0.00 -0.73 1.76 1.88 -0.31 0.00 0.00 175.10 177.71 1kqg h TYR 66 N 2.93 0.01 -1.72 2.82 -1.99 -1.99 -3.45 116.97 113.57 1kqg h TYR 66 Ca -0.35 -0.00 -0.68 0.00 2.00 0.00 0.00 58.73 59.70 1kqg h TYR 66 Cb 1.17 -0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.95 1kqg h TYR 66 CO 0.53 0.45 0.56 -0.25 -0.00 0.00 0.00 178.16 179.44 1kqg n ASP 67 N -4.01 1.91 -3.64 3.88 10.43 -1.26 -4.96 116.55 118.90 1kqg n ASP 67 Ca -0.02 1.11 0.03 0.00 2.57 0.00 0.00 54.79 58.48 1kqg n ASP 67 Cb 0.47 -1.21 -0.06 0.00 1.84 0.00 0.00 41.12 42.16 1kqg n ASP 67 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1kqg s ASN 68 N 1.00 -0.04 1.06 -2.24 3.84 -1.26 -4.50 114.94 112.80 1kqg s ASN 68 Ca 0.86 0.07 -0.15 0.00 0.21 0.00 0.00 52.86 53.84 1kqg s ASN 68 Cb -0.94 1.02 0.11 0.00 -0.55 0.00 0.00 41.25 40.89 1kqg s ASN 68 CO 0.49 -0.01 0.34 -2.65 -2.79 0.00 0.00 177.10 172.48 1kqg n PRO 69 N 3.08 -1.21 0.15 0.43 -0.02 -1.26 -4.88 135.00 131.30 1kqg n PRO 69 Ca -0.17 -0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.12 1kqg n PRO 69 Cb 0.56 -1.86 0.37 0.00 -0.02 0.00 0.00 33.50 32.56 1kqg n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kqg h ALA 70 N -1.97 1.00 -2.82 3.55 0.00 -1.95 -3.46 119.26 113.61 1kqg h ALA 70 Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1kqg h ALA 70 Cb 1.33 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 1kqg h ALA 70 CO 0.39 0.00 -0.04 0.34 0.00 0.00 0.00 179.25 179.94 1kqg s ASP 71 N -5.06 -0.21 0.71 0.00 2.15 -1.26 -5.11 116.67 107.88 1kqg s ASP 71 Ca 0.08 -0.51 -0.16 0.00 0.43 0.00 0.00 52.55 52.39 1kqg s ASP 71 Cb 0.10 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.28 1kqg s ASP 71 CO 0.59 -1.00 1.24 -0.76 -0.17 0.00 0.00 175.17 175.06 1kqg s LEU 72 N -2.88 3.39 0.38 -1.34 1.43 -1.26 -4.92 118.68 113.48 1kqg s LEU 72 Ca 0.09 2.45 -0.07 0.00 -1.03 0.00 0.00 54.13 55.58 1kqg s LEU 72 Cb 0.00 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.65 1kqg s LEU 72 CO -0.04 -2.21 0.61 -0.94 0.23 0.00 0.00 176.35 174.01 1kqg s SER 73 N -1.81 0.67 0.56 2.29 1.04 -0.74 -4.95 113.70 110.76 1kqg s SER 73 Ca 0.77 -1.42 0.32 0.00 0.48 0.00 0.00 55.95 56.10 1kqg s SER 73 Cb -0.32 0.76 1.68 0.00 0.10 0.00 0.00 66.02 68.24 1kqg s SER 73 CO 0.44 -1.50 2.14 0.00 0.98 0.00 0.00 173.24 175.30 1kqg h ALA 74 N 2.04 1.22 -0.08 5.32 0.00 -1.78 -2.48 119.26 123.51 1kqg h ALA 74 Ca -0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1kqg h ALA 74 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1kqg h ALA 74 CO 0.40 0.08 0.00 1.63 0.00 0.00 0.00 179.25 181.36 1kqg n LYS 75 N -3.49 1.52 -3.62 0.00 4.76 -1.26 -4.79 118.16 111.28 1kqg n LYS 75 Ca -0.02 -1.61 -0.29 0.00 -2.87 0.00 0.00 58.31 53.52 1kqg n LYS 75 Cb 0.19 -1.33 -0.14 0.00 -1.84 0.00 0.00 35.03 31.91 1kqg n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1kqg s SER 76 N -1.37 3.54 0.00 4.39 0.01 -0.93 -3.63 113.70 115.71 1kqg s SER 76 Ca 0.22 -2.05 0.29 0.00 1.31 0.00 0.00 55.95 55.71 1kqg s SER 76 Cb 0.15 -0.71 1.30 0.00 0.21 0.00 0.00 66.02 66.96 1kqg s SER 76 CO 0.22 -0.34 1.93 0.79 0.41 0.00 0.00 173.24 176.24 1kqg n TRP 77 N 4.27 0.00 -3.71 2.43 8.01 -1.26 -1.78 117.44 125.40 1kqg n TRP 77 Ca 0.05 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.10 1kqg n TRP 77 Cb 0.38 -0.33 -0.09 0.00 -2.01 0.00 0.00 31.31 29.26 1kqg n TRP 77 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 1kqg s THR 78 N -2.71 0.00 -0.06 -0.99 -1.32 -1.26 -3.90 115.64 105.40 1kqg s THR 78 Ca 0.23 -0.02 -0.06 0.00 -1.21 0.00 0.00 61.69 60.62 1kqg s THR 78 Cb 0.20 -0.68 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 1kqg s THR 78 CO 0.50 -0.01 0.17 0.68 -2.21 0.00 0.00 174.62 173.75 1kqg s VAL 79 N 0.14 0.01 -0.00 5.08 -7.23 -0.88 -4.73 120.40 112.79 1kqg s VAL 79 Ca -0.01 -0.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.80 1kqg s VAL 79 Cb -0.03 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1kqg s VAL 79 CO 0.01 -0.04 0.89 -0.04 -0.31 0.00 0.00 175.10 175.61 1kqg s MET 80 N -0.08 4.54 -0.16 4.82 -1.94 -1.26 -1.07 119.30 124.14 1kqg s MET 80 Ca -0.02 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.22 1kqg s MET 80 Cb -0.02 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.38 1kqg s MET 80 CO 0.00 0.03 -0.16 1.03 -0.01 0.00 0.00 175.02 175.92 1kqg s ARG 81 N 0.77 3.18 -0.08 2.03 0.52 -0.08 -4.57 118.95 120.74 1kqg s ARG 81 Ca 0.47 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1kqg s ARG 81 Cb -0.20 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1kqg s ARG 81 CO 0.25 -0.01 -0.05 -0.06 0.02 0.00 0.00 175.30 175.46 1kqg s PHE 82 N 0.86 3.01 -0.05 -0.53 0.40 -1.26 -1.27 117.98 119.15 1kqg s PHE 82 Ca -0.05 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1kqg s PHE 82 Cb -0.15 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1kqg s PHE 82 CO -0.01 0.37 0.01 -1.12 0.70 0.00 0.00 175.22 175.17 1kqg s SER 83 N -0.81 1.07 -0.19 1.36 0.01 -0.33 -4.86 113.70 109.95 1kqg s SER 83 Ca 0.12 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 1kqg s SER 83 Cb -0.11 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 1kqg s SER 83 CO 0.02 -0.17 0.10 -1.61 0.41 0.00 0.00 173.24 171.99 1kqg s GLU 84 N 1.67 4.09 -0.00 12.44 2.02 -1.26 -0.16 118.70 137.49 1kqg s GLU 84 Ca -0.01 -0.28 -0.15 0.00 0.02 0.00 0.00 54.97 54.56 1kqg s GLU 84 Cb -0.13 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1kqg s GLU 84 CO -0.03 0.28 0.32 -0.08 0.02 0.00 0.00 175.26 175.76 1kqg s THR 85 N 0.39 0.06 -0.07 3.63 -1.32 -0.67 -5.01 115.64 112.65 1kqg s THR 85 Ca 0.06 -0.50 0.10 0.00 -1.21 0.00 0.00 61.69 60.14 1kqg s THR 85 Cb -0.12 -0.68 0.15 0.00 -1.51 0.00 0.00 72.50 70.35 1kqg s THR 85 CO -0.01 -0.28 1.05 -0.62 -2.21 0.00 0.00 174.62 172.56 1kqg n GLU 86 N 1.14 1.69 0.22 7.08 1.02 -1.26 -1.02 120.64 129.50 1kqg n GLU 86 Ca -0.21 -1.98 0.13 0.00 -0.02 0.00 0.00 57.16 55.09 1kqg n GLU 86 Cb 0.57 -1.20 0.75 0.00 -0.02 0.00 0.00 31.44 31.54 1kqg n GLU 86 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1kqg h GLN 87 N 0.00 0.00 -0.55 3.49 5.75 -1.95 -2.04 115.11 119.80 1kqg h GLN 87 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1kqg h GLN 87 Cb 0.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1kqg h GLN 87 CO 0.00 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.27 1kqg n ASN 88 N -4.20 5.24 0.00 -0.69 3.02 -1.26 -4.94 115.26 112.43 1kqg n ASN 88 Ca -0.00 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 1kqg n ASN 88 Cb 0.22 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1kqg n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kqg n GLY 89 N 0.61 0.40 3.54 7.41 0.00 -0.77 -5.04 105.19 111.34 1kqg n GLY 89 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1kqg n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kqg s LYS 90 N -0.89 1.40 0.08 1.61 -2.85 -1.26 -5.10 119.74 112.73 1kqg s LYS 90 Ca 0.00 -0.82 -0.31 0.00 -1.00 0.00 0.00 55.97 53.84 1kqg s LYS 90 Cb 0.00 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.24 1kqg s LYS 90 CO 0.00 -0.60 1.30 -1.17 0.10 0.00 0.00 175.35 174.97 1kqg s LEU 91 N -2.86 4.36 0.02 2.77 2.96 -1.26 -4.33 118.68 120.34 1kqg s LEU 91 Ca 0.08 2.15 0.04 0.00 -0.22 0.00 0.00 54.13 56.18 1kqg s LEU 91 Cb -0.01 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1kqg s LEU 91 CO -0.03 -0.57 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.69 1kqg s GLU 92 N 1.22 0.90 -0.37 1.98 2.02 -0.19 -5.01 118.70 119.25 1kqg s GLU 92 Ca 0.61 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.99 1kqg s GLU 92 Cb -0.33 -0.88 0.10 0.00 0.10 0.00 0.00 34.13 33.12 1kqg s GLU 92 CO 0.29 0.23 0.13 -0.46 0.02 0.00 0.00 175.26 175.46 1kqg s TRP 93 N -0.63 3.60 -0.27 1.61 -0.11 -1.26 -1.67 118.94 120.21 1kqg s TRP 93 Ca 0.02 -2.54 -0.17 0.00 1.22 0.00 0.00 56.10 54.64 1kqg s TRP 93 Cb -0.06 -2.98 -0.03 0.00 -1.50 0.00 0.00 33.47 28.89 1kqg s TRP 93 CO 0.00 -0.95 0.45 -0.51 -4.62 0.00 0.00 176.95 171.33 1kqg s LEU 94 N 1.08 4.05 -0.12 5.86 1.43 0.77 -4.95 118.68 126.80 1kqg s LEU 94 Ca 0.07 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1kqg s LEU 94 Cb -0.21 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1kqg s LEU 94 CO -0.05 -0.24 -0.22 -0.63 0.23 0.00 0.00 176.35 175.44 1kqg s ILE 95 N 2.20 2.19 -0.04 -0.59 1.01 -1.26 -1.19 121.20 123.53 1kqg s ILE 95 Ca 0.18 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1kqg s ILE 95 Cb -0.16 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1kqg s ILE 95 CO 0.09 0.55 -0.09 -0.60 0.00 0.00 0.00 174.94 174.90 1kqg s ARG 96 N 0.53 1.15 -0.01 2.79 3.52 -0.40 -4.80 118.95 121.73 1kqg s ARG 96 Ca -0.13 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 1kqg s ARG 96 Cb -0.17 -1.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.14 1kqg s ARG 96 CO 0.05 0.05 1.23 0.21 -0.81 0.00 0.00 175.30 176.02 1kqg s LYS 97 N 0.49 4.37 0.07 5.12 2.20 -1.26 -0.90 119.74 129.83 1kqg s LYS 97 Ca -0.08 1.75 0.06 0.00 -0.36 0.00 0.00 55.97 57.34 1kqg s LYS 97 Cb -0.12 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1kqg s LYS 97 CO 0.01 -0.41 -0.09 0.34 -0.36 0.00 0.00 175.35 174.85 1kqg s ASP 98 N 1.41 4.45 0.00 1.43 2.15 -0.24 -4.97 116.67 120.91 1kqg s ASP 98 Ca 0.58 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.25 1kqg s ASP 98 Cb -0.27 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.44 1kqg s ASP 98 CO 0.25 0.21 0.00 0.61 -0.17 0.00 0.00 175.17 176.07 1kqg n GLY 99 N 0.99 0.07 3.53 2.66 0.00 -1.26 -2.07 105.19 109.11 1kqg n GLY 99 Ca -0.14 -1.23 -0.48 0.00 0.00 0.00 0.00 46.02 44.17 1kqg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg n MET 101 N 1.21 0.88 -3.75 0.00 0.00 -1.26 -4.81 117.12 109.40 1kqg n MET 101 Ca 0.14 -0.65 -0.34 0.00 0.00 0.00 0.00 57.70 56.86 1kqg n MET 101 Cb 0.26 -1.49 0.04 0.00 0.00 0.00 0.00 33.22 32.03 1kqg n MET 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1kqg n HIS 102 N -0.50 -1.83 -1.77 2.03 8.25 -1.26 -1.83 115.22 118.32 1kqg n HIS 102 Ca 0.10 0.39 -0.37 0.00 -0.26 0.00 0.00 57.72 57.58 1kqg n HIS 102 Cb 0.40 -3.31 0.06 0.00 1.12 0.00 0.00 29.99 28.26 1kqg n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kqg h GLU 104 N 0.85 0.34 -2.86 0.00 4.57 -1.11 -3.31 114.58 113.06 1kqg h GLU 104 Ca -0.51 -0.21 -0.61 0.00 -1.18 0.00 0.00 59.36 56.84 1kqg h GLU 104 Cb 1.32 0.02 -0.41 0.00 -0.16 0.00 0.00 28.75 29.53 1kqg h GLU 104 CO 0.54 0.80 -0.66 -3.47 -1.18 0.00 0.00 179.01 175.05 1kqg n ASP 105 N -3.93 2.38 -4.70 1.04 2.03 -0.24 -4.98 116.55 108.14 1kqg n ASP 105 Ca -0.02 -3.07 -0.42 0.00 0.52 0.00 0.00 54.79 51.80 1kqg n ASP 105 Cb 0.59 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 1kqg n ASP 105 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1kqg s PRO 106 N -1.26 4.27 0.27 -0.67 0.04 -1.25 -4.84 135.00 131.57 1kqg s PRO 106 Ca 0.28 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.51 1kqg s PRO 106 Cb -0.01 -3.41 0.38 0.00 0.04 0.00 0.00 34.50 31.50 1kqg s PRO 106 CO -0.16 -0.56 1.64 0.78 0.04 0.00 0.00 177.00 178.74 1kqg h GLY 107 N 7.64 0.21 0.62 0.56 0.00 -1.95 -1.85 103.07 108.29 1kqg h GLY 107 Ca -0.41 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1kqg h GLY 107 CO 0.89 0.20 -0.19 0.00 0.00 0.00 0.00 176.54 177.45 1kqg h LEU 109 N -0.33 0.60 -0.99 0.00 6.46 -1.90 -1.37 115.31 117.78 1kqg h LEU 109 Ca 0.04 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1kqg h LEU 109 Cb 0.37 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1kqg h LEU 109 CO -0.14 0.43 0.12 0.50 -0.62 0.00 0.00 178.44 178.73 1kqg h LYS 110 N 0.72 0.85 0.00 1.25 3.64 -1.08 -2.99 116.57 118.96 1kqg h LYS 110 Ca 0.22 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1kqg h LYS 110 Cb -0.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1kqg h LYS 110 CO -0.07 0.78 -0.53 0.00 -2.27 0.00 0.00 179.45 177.35 1kqg h ALA 111 N 1.31 0.74 -2.60 5.00 0.00 -0.73 -3.47 119.26 119.51 1kqg h ALA 111 Ca 0.18 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 1kqg h ALA 111 Cb 0.32 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.15 1kqg h ALA 111 CO 0.00 0.43 0.93 0.00 0.00 0.00 0.00 179.25 180.61 1kqg n PRO 113 N 4.16 2.09 -3.84 0.00 -0.04 -1.26 -3.76 135.00 132.34 1kqg n PRO 113 Ca 0.15 -1.60 -0.36 0.00 -0.04 0.00 0.00 63.50 61.65 1kqg n PRO 113 Cb 0.38 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 1kqg n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kqg s SER 114 N -1.80 4.69 -0.03 3.54 0.15 -1.26 -4.87 113.70 114.13 1kqg s SER 114 Ca 0.34 -0.39 -0.35 0.00 0.70 0.00 0.00 55.95 56.25 1kqg s SER 114 Cb 0.20 -1.82 -0.13 0.00 -1.71 0.00 0.00 66.02 62.57 1kqg s SER 114 CO 0.30 -0.05 1.77 0.00 1.20 0.00 0.00 173.24 176.46 1kqg n ALA 115 N 4.84 0.85 -0.98 5.45 0.00 -1.26 -1.51 120.51 127.91 1kqg n ALA 115 Ca -0.17 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1kqg n ALA 115 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1kqg n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqg n GLY 116 N 4.05 0.92 0.15 0.00 0.00 -0.88 -4.88 105.19 104.55 1kqg n GLY 116 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1kqg n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg h ALA 117 N 0.00 1.09 -3.33 4.61 0.00 -1.51 -3.40 119.26 116.73 1kqg h ALA 117 Ca 0.00 -0.50 -0.52 0.00 0.00 0.00 0.00 54.91 53.89 1kqg h ALA 117 Cb 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 17.36 1kqg h ALA 117 CO 0.00 0.68 -0.81 0.42 0.00 0.00 0.00 179.25 179.54 1kqg s ILE 118 N -3.78 1.11 0.17 0.00 1.01 -1.26 -0.46 121.20 118.00 1kqg s ILE 118 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1kqg s ILE 118 Cb 0.13 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1kqg s ILE 118 CO 0.75 0.36 -0.13 0.27 0.00 0.00 0.00 174.94 176.20 1kqg s ILE 119 N 1.04 1.47 -0.15 2.92 -4.36 -0.40 -0.83 121.20 120.89 1kqg s ILE 119 Ca -0.07 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.20 1kqg s ILE 119 Cb -0.15 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.66 1kqg s ILE 119 CO -0.01 -0.65 -0.15 -1.58 0.24 0.00 0.00 174.94 172.79 1kqg s GLN 120 N -3.64 2.36 0.47 0.37 0.74 -0.49 -0.48 119.66 119.00 1kqg s GLN 120 Ca 0.19 -0.59 -0.13 0.00 0.05 0.00 0.00 55.36 54.89 1kqg s GLN 120 Cb 0.00 -2.13 -0.07 0.00 1.10 0.00 0.00 33.01 31.92 1kqg s GLN 120 CO 0.04 -0.21 0.89 0.71 -0.55 0.00 0.00 175.29 176.16 1kqg s TYR 121 N 1.40 3.48 0.49 1.67 2.02 -0.10 -0.86 117.35 125.45 1kqg s TYR 121 Ca 0.03 1.23 0.28 0.00 -0.37 0.00 0.00 57.07 58.25 1kqg s TYR 121 Cb -0.13 -2.61 1.37 0.00 -0.40 0.00 0.00 41.96 40.19 1kqg s TYR 121 CO -0.10 -0.28 1.84 0.00 -1.57 0.00 0.00 175.55 175.44 1kqg h ALA 122 N 0.92 2.71 -0.00 3.71 0.00 -1.13 0.12 119.26 125.58 1kqg h ALA 122 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1kqg h ALA 122 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kqg h ALA 122 CO 0.63 -1.02 -0.00 0.27 0.00 0.00 0.00 179.25 179.12 1kqg n ASN 123 N -4.35 0.10 0.00 0.00 6.94 -1.26 -4.68 115.26 112.00 1kqg n ASN 123 Ca 0.22 -0.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.79 1kqg n ASN 123 Cb 0.99 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 1kqg n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kqg n GLY 124 N 1.03 0.82 3.73 4.83 0.00 0.43 -1.49 105.19 114.54 1kqg n GLY 124 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1kqg n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kqg s ILE 125 N -2.07 3.62 -0.24 -0.61 1.01 -1.25 -4.78 121.20 116.87 1kqg s ILE 125 Ca 0.00 1.26 -0.07 0.00 0.00 0.00 0.00 60.65 61.84 1kqg s ILE 125 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1kqg s ILE 125 CO 0.00 0.16 0.07 -0.69 0.00 0.00 0.00 174.94 174.48 1kqg s VAL 126 N 0.45 4.43 0.07 2.92 1.01 -1.26 -0.93 120.40 127.09 1kqg s VAL 126 Ca 0.57 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1kqg s VAL 126 Cb -0.33 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1kqg s VAL 126 CO 0.34 0.36 -0.09 -0.62 0.00 0.00 0.00 175.10 175.09 1kqg s ASP 127 N 1.36 1.20 -0.09 3.32 2.15 0.36 -4.81 116.67 120.16 1kqg s ASP 127 Ca 0.05 -0.71 -0.18 0.00 0.43 0.00 0.00 52.55 52.14 1kqg s ASP 127 Cb -0.15 0.02 -0.05 0.00 -0.30 0.00 0.00 42.92 42.45 1kqg s ASP 127 CO 0.04 -0.24 0.49 -0.36 -0.17 0.00 0.00 175.17 174.92 1kqg s PHE 128 N -2.04 3.56 -0.74 -5.34 0.08 -1.26 -1.27 117.98 110.98 1kqg s PHE 128 Ca -0.01 0.95 -0.10 0.00 0.12 0.00 0.00 56.93 57.89 1kqg s PHE 128 Cb -0.05 -2.53 0.19 0.00 -0.57 0.00 0.00 43.02 40.06 1kqg s PHE 128 CO -0.00 0.25 0.63 -0.65 -0.10 0.00 0.00 175.22 175.35 1kqg s GLN 129 N 0.31 3.17 0.52 0.44 -0.21 0.39 -4.97 119.66 119.31 1kqg s GLN 129 Ca 0.26 -2.46 0.18 0.00 0.02 0.00 0.00 55.36 53.37 1kqg s GLN 129 Cb -0.16 -4.15 1.28 0.00 1.00 0.00 0.00 33.01 30.99 1kqg s GLN 129 CO 0.12 -1.25 2.10 0.77 -2.12 0.00 0.00 175.29 174.91 1kqg h SER 130 N 7.53 0.03 -0.73 5.90 0.02 -1.91 -2.38 113.55 122.01 1kqg h SER 130 Ca 0.04 -0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.15 1kqg h SER 130 Cb 1.01 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1kqg h SER 130 CO 0.75 0.02 0.49 1.05 -1.14 0.00 0.00 176.83 178.00 1kqg h GLU 131 N 0.03 0.33 -0.01 3.45 4.11 -1.95 -0.92 114.58 119.63 1kqg h GLU 131 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1kqg h GLU 131 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1kqg h GLU 131 CO -0.00 0.22 -0.29 0.09 0.07 0.00 0.00 179.01 179.10 1kqg n ASN 132 N -4.46 1.14 -4.73 3.06 3.02 -0.90 -4.95 115.26 107.44 1kqg n ASN 132 Ca 0.14 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.32 1kqg n ASN 132 Cb 0.55 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.87 1kqg n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kqg n ILE 134 N 2.69 0.22 -1.01 0.00 -5.35 -1.26 -4.92 119.36 109.73 1kqg n ILE 134 Ca 0.04 -0.61 -0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1kqg n ILE 134 Cb 0.47 1.14 -0.00 0.00 -1.74 0.00 0.00 39.64 39.50 1kqg n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kqg n GLY 135 N 0.86 0.45 0.20 3.28 0.00 -1.17 -4.94 105.19 103.87 1kqg n GLY 135 Ca 0.10 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1kqg n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg n GLY 137 N -0.52 0.62 0.26 0.00 0.00 -1.26 -4.93 105.19 99.36 1kqg n GLY 137 Ca -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1kqg n GLY 137 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1kqg h TYR 138 N 0.00 0.36 0.00 1.61 0.05 -1.91 -1.05 116.97 116.03 1kqg h TYR 138 Ca 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1kqg h TYR 138 Cb 0.00 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1kqg h TYR 138 CO 0.00 0.38 -0.04 0.00 -1.05 0.00 0.00 178.16 177.46 1kqg h ILE 140 N 0.00 1.26 0.07 0.00 2.04 -1.51 -1.30 117.51 118.08 1kqg h ILE 140 Ca -0.00 -1.25 -0.27 0.00 1.00 0.00 0.00 64.86 64.34 1kqg h ILE 140 Cb 0.08 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1kqg h ILE 140 CO 0.00 0.42 -1.34 0.00 0.00 0.00 0.00 178.15 177.23 1kqg h ALA 141 N 1.16 0.32 -0.06 1.87 0.00 -1.47 -3.28 119.26 117.79 1kqg h ALA 141 Ca 0.10 -1.05 -0.09 0.00 0.00 0.00 0.00 54.91 53.86 1kqg h ALA 141 Cb 0.66 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1kqg h ALA 141 CO 0.05 1.19 -0.40 0.78 0.00 0.00 0.00 179.25 180.88 1kqg h GLY 142 N 2.27 0.14 -4.91 0.00 0.00 -0.93 -3.43 103.07 96.21 1kqg h GLY 142 Ca -0.16 -0.13 -0.54 0.00 0.00 0.00 0.00 47.33 46.50 1kqg h GLY 142 CO 0.15 0.12 0.93 0.00 0.00 0.00 0.00 176.54 177.74 1kqg h PRO 144 N 8.14 0.00 -0.11 0.00 0.11 -1.84 -3.17 132.00 135.13 1kqg h PRO 144 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1kqg h PRO 144 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1kqg h PRO 144 CO 0.92 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.90 1kqg n PHE 145 N -2.89 0.12 -3.45 0.65 3.72 -1.26 -4.95 117.46 109.40 1kqg n PHE 145 Ca -0.01 -0.08 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 1kqg n PHE 145 Cb 0.16 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1kqg n PHE 145 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1kqg n ASN 146 N 1.02 -6.21 -0.10 4.37 5.15 -1.20 -4.99 115.26 113.29 1kqg n ASN 146 Ca 0.12 -0.67 -0.21 0.00 -0.60 0.00 0.00 54.58 53.21 1kqg n ASN 146 Cb 0.46 -3.94 -0.07 0.00 -0.53 0.00 0.00 39.78 35.69 1kqg n ASN 146 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1kqg n ILE 147 N -3.02 1.10 -1.75 -1.44 2.08 -1.26 -5.00 119.36 110.07 1kqg n ILE 147 Ca -0.10 -0.29 -0.40 0.00 0.56 0.00 0.00 62.75 62.53 1kqg n ILE 147 Cb 0.59 -1.75 0.02 0.00 -0.75 0.00 0.00 39.64 37.75 1kqg n ILE 147 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1kqg n PRO 148 N -3.87 2.06 -4.09 0.38 -0.02 -1.26 -4.90 135.00 123.31 1kqg n PRO 148 Ca -0.39 0.74 -0.19 0.00 -2.02 0.00 0.00 63.50 61.64 1kqg n PRO 148 Cb 0.78 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 1kqg n PRO 148 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1kqg s ARG 149 N -2.53 0.63 0.24 -0.52 1.81 -1.17 -4.83 118.95 112.57 1kqg s ARG 149 Ca 0.64 -0.05 -0.29 0.00 -1.72 0.00 0.00 55.73 54.31 1kqg s ARG 149 Cb -0.45 -0.69 -0.09 0.00 -0.45 0.00 0.00 34.95 33.27 1kqg s ARG 149 CO 0.55 -0.09 0.92 -0.51 -0.68 0.00 0.00 175.30 175.50 1kqg s LEU 150 N 0.89 4.63 -0.35 2.53 1.43 -1.26 -1.04 118.68 125.51 1kqg s LEU 150 Ca -0.11 1.91 -0.16 0.00 -1.03 0.00 0.00 54.13 54.74 1kqg s LEU 150 Cb -0.14 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1kqg s LEU 150 CO -0.00 0.15 0.39 0.21 0.23 0.00 0.00 176.35 177.33 1kqg s ASN 151 N -1.20 6.20 0.57 2.29 2.47 0.78 -4.45 114.94 121.60 1kqg s ASN 151 Ca 0.41 -0.21 0.26 0.00 0.42 0.00 0.00 52.86 53.74 1kqg s ASN 151 Cb -0.25 -2.21 1.69 0.00 -1.45 0.00 0.00 41.25 39.03 1kqg s ASN 151 CO 0.31 -0.37 2.23 0.07 -3.72 0.00 0.00 177.10 175.62 1kqg h LYS 152 N 8.47 0.00 0.00 0.43 2.10 -1.96 0.25 116.57 125.86 1kqg h LYS 152 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1kqg h LYS 152 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1kqg h LYS 152 CO 0.71 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.55 1kqg n GLU 153 N -4.02 0.07 0.00 0.07 1.02 -1.26 -4.19 120.64 112.33 1kqg n GLU 153 Ca -0.03 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1kqg n GLU 153 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1kqg n GLU 153 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1kqg n ASP 154 N -1.46 0.00 -2.97 1.62 5.68 -0.95 -5.04 116.55 113.42 1kqg n ASP 154 Ca 0.07 -1.00 -0.22 0.00 -0.50 0.00 0.00 54.79 53.15 1kqg n ASP 154 Cb 0.29 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.31 1kqg n ASP 154 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kqg n ASN 155 N 0.00 -6.03 -4.20 -1.12 3.02 0.04 -4.99 115.26 101.96 1kqg n ASN 155 Ca 0.00 -0.30 -0.17 0.00 -0.03 0.00 0.00 54.58 54.07 1kqg n ASN 155 Cb 0.37 -4.83 -0.11 0.00 -0.61 0.00 0.00 39.78 34.59 1kqg n ASN 155 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1kqg s ARG 156 N -5.73 0.92 0.16 3.52 0.52 -1.24 -3.04 118.95 114.07 1kqg s ARG 156 Ca 0.32 -1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 1kqg s ARG 156 Cb -0.14 -0.79 -0.07 0.00 0.52 0.00 0.00 34.95 34.47 1kqg s ARG 156 CO 0.40 0.15 0.50 0.14 0.02 0.00 0.00 175.30 176.51 1kqg s VAL 157 N -1.95 4.96 0.05 3.52 -7.23 -1.26 -0.16 120.40 118.34 1kqg s VAL 157 Ca 0.05 0.55 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1kqg s VAL 157 Cb -0.06 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1kqg s VAL 157 CO 0.02 0.12 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.58 1kqg s TYR 158 N -1.59 0.58 0.23 2.82 2.02 -0.21 -4.94 117.35 116.26 1kqg s TYR 158 Ca 0.40 -0.81 -0.20 0.00 -0.37 0.00 0.00 57.07 56.09 1kqg s TYR 158 Cb -0.13 -0.38 0.07 0.00 -0.40 0.00 0.00 41.96 41.12 1kqg s TYR 158 CO 0.20 -0.23 1.00 -1.59 -1.57 0.00 0.00 175.55 173.36 1kqg s LYS 159 N -2.96 1.51 0.08 -0.62 -2.85 -1.26 -3.07 119.74 110.58 1kqg s LYS 159 Ca 0.00 -0.99 -0.35 0.00 -1.00 0.00 0.00 55.97 53.64 1kqg s LYS 159 Cb 0.00 0.41 -0.14 0.00 -2.06 0.00 0.00 37.83 36.05 1kqg s LYS 159 CO -0.05 -0.71 1.60 0.00 0.10 0.00 0.00 175.35 176.29 1kqg n THR 161 N 3.63 0.10 -2.55 0.00 -2.24 -1.26 -4.80 114.28 107.17 1kqg n THR 161 Ca 0.19 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1kqg n THR 161 Cb 0.27 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1kqg n THR 161 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1kqg n LEU 162 N 1.15 -2.07 -4.02 3.22 0.00 -1.26 -2.25 117.00 111.78 1kqg n LEU 162 Ca 0.16 -0.11 -0.37 0.00 0.00 0.00 0.00 56.01 55.69 1kqg n LEU 162 Cb 0.55 -2.47 -0.01 0.00 0.00 0.00 0.00 43.42 41.49 1kqg n LEU 162 CO 0.15 -0.02 -0.22 0.00 0.00 0.00 0.00 177.39 177.30 1kqg h VAL 164 N -2.17 0.92 0.00 0.00 3.04 -1.87 0.17 116.25 116.33 1kqg h VAL 164 Ca -0.68 -0.08 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 1kqg h VAL 164 Cb 1.39 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1kqg h VAL 164 CO 0.57 0.04 -0.30 -2.24 -1.01 0.00 0.00 177.57 174.63 1kqg h ASP 165 N 0.23 0.00 0.01 3.17 2.03 -1.88 -1.82 116.42 118.14 1kqg h ASP 165 Ca 0.18 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.25 1kqg h ASP 165 Cb 0.41 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.88 1kqg h ASP 165 CO -0.03 0.30 -1.22 0.03 -1.03 0.00 0.00 179.24 177.29 1kqg h ARG 166 N 0.00 0.01 -1.01 4.15 3.08 -1.04 -3.39 114.38 116.18 1kqg h ARG 166 Ca -0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1kqg h ARG 166 Cb 0.78 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 1kqg h ARG 166 CO 0.04 1.01 0.65 0.28 -1.07 0.00 0.00 179.97 180.88 1kqg h VAL 167 N -0.96 1.13 -0.28 2.04 2.07 -0.64 -1.66 116.25 117.95 1kqg h VAL 167 Ca -0.33 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 66.85 1kqg h VAL 167 Cb 1.32 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1kqg h VAL 167 CO -0.19 0.22 0.25 0.28 0.02 0.00 0.00 177.57 178.15 1kqg h SER 168 N 1.22 0.00 -0.31 0.57 0.02 -1.55 -2.19 113.55 111.32 1kqg h SER 168 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1kqg h SER 168 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1kqg h SER 168 CO -0.15 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 176.87 1kqg n VAL 169 N -4.09 1.91 -0.19 2.27 0.24 -0.70 -5.00 118.33 112.77 1kqg n VAL 169 Ca 0.04 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 1kqg n VAL 169 Cb 0.40 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1kqg n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kqg n GLY 170 N -0.13 0.90 3.58 7.63 0.00 -0.82 -5.10 105.19 111.25 1kqg n GLY 170 Ca 0.19 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1kqg n GLY 170 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kqg s GLN 171 N -0.79 2.36 0.71 1.61 0.74 -0.77 -4.98 119.66 118.54 1kqg s GLN 171 Ca 0.00 -0.86 -0.12 0.00 0.05 0.00 0.00 55.36 54.43 1kqg s GLN 171 Cb 0.00 -2.40 0.02 0.00 1.10 0.00 0.00 33.01 31.73 1kqg s GLN 171 CO 0.00 0.56 1.07 -1.83 -0.55 0.00 0.00 175.29 174.54 1kqg s GLU 172 N -1.77 2.73 0.92 1.67 1.03 -1.26 -2.29 118.70 119.72 1kqg s GLU 172 Ca 0.19 1.09 -0.10 0.00 0.03 0.00 0.00 54.97 56.18 1kqg s GLU 172 Cb -0.11 -1.96 0.14 0.00 -0.80 0.00 0.00 34.13 31.40 1kqg s GLU 172 CO 0.10 -1.27 1.07 -2.30 -1.33 0.00 0.00 175.26 171.53 1kqg n PRO 173 N -3.10 -0.43 -0.13 -4.83 -0.02 -1.26 -4.77 135.00 120.46 1kqg n PRO 173 Ca 0.08 -0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.39 1kqg n PRO 173 Cb 0.53 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1kqg n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kqg h ALA 174 N -1.85 0.50 -0.23 3.55 0.00 -1.94 -2.50 119.26 116.79 1kqg h ALA 174 Ca -0.43 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 1kqg h ALA 174 Cb 1.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1kqg h ALA 174 CO 0.40 0.32 -0.44 0.00 0.00 0.00 0.00 179.25 179.53 1kqg h VAL 176 N 0.47 0.83 -0.68 0.00 2.07 -1.86 -2.62 116.25 114.46 1kqg h VAL 176 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1kqg h VAL 176 Cb 0.96 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1kqg h VAL 176 CO 0.09 0.00 0.38 0.50 0.02 0.00 0.00 177.57 178.56 1kqg h LYS 177 N -0.12 0.94 0.00 1.57 3.64 -1.31 -3.14 116.57 118.15 1kqg h LYS 177 Ca 0.02 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1kqg h LYS 177 Cb 0.15 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1kqg h LYS 177 CO -0.06 0.70 -0.43 0.00 -2.27 0.00 0.00 179.45 177.39 1kqg h THR 178 N 0.93 1.13 -1.23 1.00 1.03 -1.29 -3.46 112.91 111.02 1kqg h THR 178 Ca 0.24 -1.56 -0.69 0.00 -0.01 0.00 0.00 66.41 64.38 1kqg h THR 178 Cb 0.03 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 68.99 1kqg h THR 178 CO -0.04 0.42 1.23 0.00 -0.01 0.00 0.00 175.52 177.12 1kqg h PRO 180 N 10.37 0.46 -0.02 0.00 0.11 -1.93 -2.86 132.00 138.13 1kqg h PRO 180 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1kqg h PRO 180 Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1kqg h PRO 180 CO 1.00 0.31 -0.17 0.25 -0.21 0.00 0.00 178.00 179.18 1kqg n THR 181 N -4.96 0.00 -2.05 -1.15 -2.24 -1.26 -4.93 114.28 97.69 1kqg n THR 181 Ca 0.12 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 1kqg n THR 181 Cb 0.34 1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1kqg n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kqg n GLY 182 N 1.36 0.22 0.24 3.38 0.00 -1.08 -4.90 105.19 104.40 1kqg n GLY 182 Ca 0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 1kqg n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg h ALA 183 N 0.19 0.94 -3.06 4.61 0.00 -1.83 -3.41 119.26 116.68 1kqg h ALA 183 Ca -0.10 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 1kqg h ALA 183 Cb 1.05 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 1kqg h ALA 183 CO 0.11 0.62 -0.39 0.42 0.00 0.00 0.00 179.25 180.01 1kqg s ILE 184 N -4.37 5.32 0.22 0.00 1.01 -1.26 -0.76 121.20 121.35 1kqg s ILE 184 Ca -0.07 0.40 0.10 0.00 0.00 0.00 0.00 60.65 61.07 1kqg s ILE 184 Cb 0.13 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1kqg s ILE 184 CO 0.81 0.35 -0.18 -1.00 0.00 0.00 0.00 174.94 174.92 1kqg s HIS 185 N 0.87 1.98 -0.04 3.97 3.76 0.23 -4.88 115.29 121.18 1kqg s HIS 185 Ca 0.12 -0.45 -0.11 0.00 -0.15 0.00 0.00 55.06 54.47 1kqg s HIS 185 Cb -0.13 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.67 1kqg s HIS 185 CO 0.04 0.49 0.26 0.12 -0.85 0.00 0.00 174.74 174.80 1kqg s PHE 186 N -2.55 -0.16 -1.93 1.40 5.36 -1.26 -0.65 117.98 118.18 1kqg s PHE 186 Ca 0.24 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1kqg s PHE 186 Cb -0.04 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 1kqg s PHE 186 CO 0.10 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 1kqg n GLY 187 N 1.80 -0.60 3.80 13.12 0.00 -1.00 -5.02 105.19 117.30 1kqg n GLY 187 Ca -0.19 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1kqg n GLY 187 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kqg s THR 188 N -3.43 3.78 0.31 2.61 -4.23 -1.26 -0.99 115.64 112.42 1kqg s THR 188 Ca 0.00 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1kqg s THR 188 Cb 0.00 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.69 1kqg s THR 188 CO 0.00 -0.55 1.90 0.50 -0.54 0.00 0.00 174.62 175.94 1kqg h LYS 189 N 0.19 0.84 -0.66 3.99 3.64 -0.47 0.16 116.57 124.26 1kqg h LYS 189 Ca -0.46 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 58.77 1kqg h LYS 189 Cb 1.22 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1kqg h LYS 189 CO 0.57 0.67 0.31 -0.22 -2.27 0.00 0.00 179.45 178.51 1kqg h LYS 190 N 0.84 0.94 0.00 1.90 3.64 -1.91 -0.48 116.57 121.50 1kqg h LYS 190 Ca 0.20 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1kqg h LYS 190 Cb 0.12 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1kqg h LYS 190 CO -0.02 0.74 -0.59 0.93 -2.27 0.00 0.00 179.45 178.24 1kqg h GLU 191 N 0.94 0.00 -0.00 1.90 4.39 -1.74 -2.91 114.58 117.16 1kqg h GLU 191 Ca 0.23 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 1kqg h GLU 191 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1kqg h GLU 191 CO -0.03 0.05 -0.84 0.52 -1.16 0.00 0.00 179.01 177.55 1kqg h MET 192 N 0.00 0.15 -0.25 2.33 2.86 -0.57 -1.43 114.93 118.03 1kqg h MET 192 Ca -0.01 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 1kqg h MET 192 Cb 1.06 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1kqg h MET 192 CO 0.01 0.90 -0.29 -0.07 1.06 0.00 0.00 176.91 178.51 1kqg h LEU 193 N 0.09 0.51 -0.35 1.22 3.38 -1.02 0.07 115.31 119.20 1kqg h LEU 193 Ca -0.03 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1kqg h LEU 193 Cb 1.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1kqg h LEU 193 CO 0.12 0.78 -0.04 -0.08 0.09 0.00 0.00 178.44 179.31 1kqg h GLU 194 N 0.43 0.66 -0.81 1.13 4.57 -1.38 -1.59 114.58 117.60 1kqg h GLU 194 Ca 0.06 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1kqg h GLU 194 Cb 0.73 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 1kqg h GLU 194 CO 0.06 0.80 0.34 -0.07 -1.18 0.00 0.00 179.01 178.95 1kqg h LEU 195 N 0.46 1.10 -0.47 1.64 3.38 -0.92 -1.55 115.31 118.95 1kqg h LEU 195 Ca 0.10 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1kqg h LEU 195 Cb 0.53 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1kqg h LEU 195 CO 0.03 0.96 0.24 0.00 0.09 0.00 0.00 178.44 179.76 1kqg h ALA 196 N 1.18 0.59 -0.16 1.53 0.00 -0.81 -1.13 119.26 120.46 1kqg h ALA 196 Ca 0.27 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1kqg h ALA 196 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kqg h ALA 196 CO -0.03 -0.10 -0.47 0.93 0.00 0.00 0.00 179.25 179.58 1kqg h GLU 197 N 0.48 0.40 -0.68 0.00 4.39 -1.03 0.01 114.58 118.14 1kqg h GLU 197 Ca 0.20 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1kqg h GLU 197 Cb 0.10 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1kqg h GLU 197 CO -0.13 0.79 0.12 1.96 -1.16 0.00 0.00 179.01 180.59 1kqg h GLN 198 N 0.32 1.12 -0.40 2.33 4.20 -0.89 -2.04 115.11 119.76 1kqg h GLN 198 Ca 0.02 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 1kqg h GLN 198 Cb 0.96 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1kqg h GLN 198 CO 0.08 1.02 -0.31 -0.09 -0.67 0.00 0.00 178.83 178.86 1kqg h ARG 199 N 1.05 0.91 -0.47 1.46 9.65 -0.83 -2.31 114.38 123.85 1kqg h ARG 199 Ca 0.21 -0.45 0.05 0.00 -1.10 0.00 0.00 59.98 58.69 1kqg h ARG 199 Cb 0.43 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.97 1kqg h ARG 199 CO 0.01 1.10 0.20 0.28 2.80 0.00 0.00 179.97 184.36 1kqg h VAL 200 N 0.73 0.90 -0.57 0.20 2.07 -0.85 -0.39 116.25 118.32 1kqg h VAL 200 Ca 0.07 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1kqg h VAL 200 Cb 0.89 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1kqg h VAL 200 CO 0.08 0.07 0.29 0.00 0.02 0.00 0.00 177.57 178.04 1kqg h ALA 201 N 1.28 0.74 -0.17 1.67 0.00 -1.17 0.32 119.26 121.93 1kqg h ALA 201 Ca 0.21 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1kqg h ALA 201 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kqg h ALA 201 CO -0.19 -0.05 -0.28 0.87 0.00 0.00 0.00 179.25 179.60 1kqg h LYS 202 N 0.56 0.32 -0.23 0.00 1.57 -0.75 -1.74 116.57 116.30 1kqg h LYS 202 Ca 0.25 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1kqg h LYS 202 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1kqg h LYS 202 CO -0.17 0.58 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.74 1kqg h LEU 203 N 0.28 0.66 -0.66 2.94 3.38 0.62 -2.68 115.31 119.85 1kqg h LEU 203 Ca 0.04 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1kqg h LEU 203 Cb 0.65 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1kqg h LEU 203 CO 0.05 1.03 0.16 0.11 0.09 0.00 0.00 178.44 179.87 1kqg h LYS 204 N 0.48 1.05 0.00 1.13 1.57 -0.07 -0.33 116.57 120.40 1kqg h LYS 204 Ca 0.03 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1kqg h LYS 204 Cb 1.01 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1kqg h LYS 204 CO 0.09 0.95 -0.00 0.00 -0.57 0.00 0.00 179.45 179.92 1kqg h ALA 205 N 1.06 1.15 -0.11 3.86 0.00 -1.10 0.25 119.26 124.38 1kqg h ALA 205 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kqg h ALA 205 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1kqg h ALA 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1kqg n ARG 206 N -3.31 2.05 0.00 0.00 5.12 -0.21 -4.92 116.66 115.38 1kqg n ARG 206 Ca -0.03 -1.54 0.00 0.00 -1.93 0.00 0.00 57.85 54.35 1kqg n ARG 206 Cb 0.08 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1kqg n ARG 206 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kqg n GLY 207 N 1.28 0.84 3.39 -0.13 0.00 0.87 -5.04 105.19 106.41 1kqg n GLY 207 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1kqg n GLY 207 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kqg s TYR 208 N -2.00 3.61 0.43 1.61 2.02 -0.72 -4.86 117.35 117.44 1kqg s TYR 208 Ca 0.00 -1.96 0.38 0.00 -0.37 0.00 0.00 57.07 55.12 1kqg s TYR 208 Cb 0.00 -4.05 1.89 0.00 -0.40 0.00 0.00 41.96 39.40 1kqg s TYR 208 CO 0.00 -1.21 2.19 1.05 -1.57 0.00 0.00 175.55 176.01 1kqg h GLU 209 N 7.79 0.00 -0.35 -0.62 4.11 -1.85 -2.03 114.58 121.64 1kqg h GLU 209 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1kqg h GLU 209 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1kqg h GLU 209 CO 1.00 0.02 0.00 0.72 0.07 0.00 0.00 179.01 180.82 1kqg n HIS 210 N -3.19 1.19 -1.64 2.06 8.25 -1.26 -4.99 115.22 115.65 1kqg n HIS 210 Ca -0.02 -0.81 -0.37 0.00 -0.26 0.00 0.00 57.72 56.26 1kqg n HIS 210 Cb 0.18 -0.34 0.06 0.00 1.12 0.00 0.00 29.99 31.01 1kqg n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kqg n ALA 211 N -0.14 0.36 -3.78 -1.41 0.00 -0.76 -1.11 120.51 113.67 1kqg n ALA 211 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 1kqg n ALA 211 Cb 0.94 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1kqg n ALA 211 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kqg s GLY 212 N -1.31 -0.17 -0.11 0.00 0.00 -0.72 -4.75 107.32 100.26 1kqg s GLY 212 Ca 0.78 0.13 -0.14 0.00 0.00 0.00 0.00 44.72 45.49 1kqg s GLY 212 CO 0.45 1.24 0.33 0.14 0.00 0.00 0.00 173.10 175.26 1kqg s VAL 213 N -2.63 5.25 -0.50 1.40 1.01 -1.26 -1.42 120.40 122.26 1kqg s VAL 213 Ca 0.17 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1kqg s VAL 213 Cb -0.00 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.80 1kqg s VAL 213 CO 0.01 0.45 0.51 -0.47 0.00 0.00 0.00 175.10 175.60 1kqg s TYR 214 N -0.03 3.15 -0.43 5.22 6.14 0.13 -4.92 117.35 126.61 1kqg s TYR 214 Ca 0.19 -0.80 0.07 0.00 0.64 0.00 0.00 57.07 57.17 1kqg s TYR 214 Cb -0.14 -3.41 0.26 0.00 0.42 0.00 0.00 41.96 39.09 1kqg s TYR 214 CO 0.07 -0.93 0.71 -1.71 0.64 0.00 0.00 175.55 174.33 1kqg n ASN 215 N 5.65 -1.12 -4.67 4.32 5.15 -1.26 -1.81 115.26 121.52 1kqg n ASN 215 Ca -0.10 -3.01 -0.49 0.00 -0.60 0.00 0.00 54.58 50.38 1kqg n ASN 215 Cb 0.44 0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 40.11 1kqg n ASN 215 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1kqg n PRO 216 N 1.36 1.95 0.23 1.20 -0.04 -1.26 -4.49 135.00 133.95 1kqg n PRO 216 Ca 0.16 0.71 0.11 0.00 -0.04 0.00 0.00 63.50 64.44 1kqg n PRO 216 Cb 0.59 -2.49 0.49 0.00 -0.04 0.00 0.00 33.50 32.04 1kqg n PRO 216 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1kqg h GLU 217 N 7.50 0.00 -0.06 0.54 5.08 -1.92 0.28 114.58 126.00 1kqg h GLU 217 Ca -0.47 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1kqg h GLU 217 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1kqg h GLU 217 CO 0.91 0.19 0.05 0.78 -1.00 0.00 0.00 179.01 179.94 1kqg h GLY 218 N 2.08 0.00 -1.24 -3.84 0.00 -1.91 -1.84 103.07 96.32 1kqg h GLY 218 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kqg h GLY 218 CO 0.02 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.89 1kqg n VAL 219 N -4.29 0.84 -0.64 4.60 0.24 -1.13 -4.36 118.33 113.58 1kqg n VAL 219 Ca -0.02 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1kqg n VAL 219 Cb 0.15 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 1kqg n VAL 219 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kqg n GLY 220 N 0.56 0.61 0.00 7.63 0.00 -0.69 -1.08 105.19 112.21 1kqg n GLY 220 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1kqg n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqg n GLY 221 N -2.64 -0.53 3.43 -0.02 0.00 0.97 -4.56 105.19 101.83 1kqg n GLY 221 Ca 0.00 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 1kqg n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kqg s THR 222 N -3.03 2.30 -2.56 2.61 -4.23 -1.26 -1.24 115.64 108.22 1kqg s THR 222 Ca 0.00 -2.19 0.26 0.00 -1.18 0.00 0.00 61.69 58.59 1kqg s THR 222 Cb 0.00 -2.16 0.36 0.00 1.34 0.00 0.00 72.50 72.04 1kqg s THR 222 CO 0.00 -0.29 1.51 1.41 -0.54 0.00 0.00 174.62 176.72 1kqg n HIS 223 N -0.14 0.00 -4.03 3.99 8.25 -0.73 -4.55 115.22 118.01 1kqg n HIS 223 Ca -0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 1kqg n HIS 223 Cb 0.58 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.52 1kqg n HIS 223 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kqg s VAL 224 N -2.09 1.91 0.24 1.59 1.01 -0.86 -0.57 120.40 121.62 1kqg s VAL 224 Ca 0.32 -1.34 0.11 0.00 0.00 0.00 0.00 61.98 61.07 1kqg s VAL 224 Cb 0.20 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1kqg s VAL 224 CO 0.36 0.06 -0.20 -0.04 0.00 0.00 0.00 175.10 175.28 1kqg s MET 225 N 1.25 1.67 0.25 2.72 1.00 -0.61 -4.86 119.30 120.71 1kqg s MET 225 Ca -0.05 -1.61 0.11 0.00 0.00 0.00 0.00 55.69 54.14 1kqg s MET 225 Cb -0.18 -1.85 -0.05 0.00 0.00 0.00 0.00 34.83 32.75 1kqg s MET 225 CO -0.07 0.37 -0.20 0.71 0.00 0.00 0.00 175.02 175.83 1kqg s TYR 226 N -2.09 2.19 -0.20 -0.03 2.02 -0.75 -0.17 117.35 118.32 1kqg s TYR 226 Ca 0.26 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1kqg s TYR 226 Cb -0.07 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 1kqg s TYR 226 CO 0.13 0.61 -0.08 0.08 -1.57 0.00 0.00 175.55 174.72 1kqg s VAL 227 N -2.36 3.16 -0.04 0.71 1.01 -0.28 -0.69 120.40 121.91 1kqg s VAL 227 Ca 0.26 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1kqg s VAL 227 Cb -0.05 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1kqg s VAL 227 CO 0.12 0.46 -0.25 -0.76 0.00 0.00 0.00 175.10 174.67 1kqg s LEU 228 N 1.22 2.06 0.17 3.92 1.43 -0.50 -2.02 118.68 124.96 1kqg s LEU 228 Ca 0.03 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 1kqg s LEU 228 Cb -0.14 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.77 1kqg s LEU 228 CO -0.03 0.28 1.58 0.45 0.23 0.00 0.00 176.35 178.87 1kqg h HIS 229 N 5.78 1.17 -2.82 0.29 3.86 -1.89 -1.91 115.15 119.62 1kqg h HIS 229 Ca -0.37 -0.25 -0.68 0.00 -1.16 0.00 0.00 60.37 57.91 1kqg h HIS 229 Cb 1.15 -0.28 -0.37 0.00 1.06 0.00 0.00 27.41 28.96 1kqg h HIS 229 CO 0.41 1.08 -0.16 0.72 0.86 0.00 0.00 177.93 180.85 1kqg n HIS 230 N -4.14 3.55 0.47 2.45 8.25 -1.26 -2.03 115.22 122.51 1kqg n HIS 230 Ca 0.01 -3.87 0.11 0.00 -0.26 0.00 0.00 57.72 53.71 1kqg n HIS 230 Cb 0.42 -0.90 0.45 0.00 1.12 0.00 0.00 29.99 31.08 1kqg n HIS 230 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kqg n ALA 231 N 1.57 1.76 0.69 -1.41 0.00 -0.26 -1.64 120.51 121.20 1kqg n ALA 231 Ca 0.25 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1kqg n ALA 231 Cb 0.37 -1.37 0.44 0.00 0.00 0.00 0.00 19.45 18.90 1kqg n ALA 231 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kqg n ASP 232 N -2.06 0.67 -3.17 0.00 5.75 -1.25 -4.21 116.55 112.27 1kqg n ASP 232 Ca 0.03 0.56 -0.20 0.00 -0.01 0.00 0.00 54.79 55.18 1kqg n ASP 232 Cb 0.24 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 1kqg n ASP 232 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kqg n GLN 233 N -2.13 1.14 0.07 0.11 6.02 -0.66 -4.95 117.38 116.99 1kqg n GLN 233 Ca 0.06 -3.50 0.17 0.00 -0.01 0.00 0.00 57.00 53.72 1kqg n GLN 233 Cb 0.41 -1.69 0.68 0.00 1.02 0.00 0.00 30.24 30.66 1kqg n GLN 233 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1kqg h PRO 234 N 3.15 0.00 0.00 -1.09 0.13 -1.73 -1.42 132.00 131.04 1kqg h PRO 234 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1kqg h PRO 234 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1kqg h PRO 234 CO 0.53 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.16 1kqg h GLU 235 N 0.00 0.00 -0.17 0.86 3.07 -1.81 -1.58 114.58 114.95 1kqg h GLU 235 Ca 0.18 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.09 1kqg h GLU 235 Cb 0.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1kqg h GLU 235 CO -0.00 0.06 0.13 -0.07 -1.40 0.00 0.00 179.01 177.73 1kqg h LEU 236 N 0.00 0.00 -5.74 1.33 3.38 -1.57 -1.68 115.31 111.03 1kqg h LEU 236 Ca -0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1kqg h LEU 236 Cb 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1kqg h LEU 236 CO 0.01 0.00 2.99 -1.22 0.09 0.00 0.00 178.44 180.31 1kqg n TYR 237 N -4.44 2.92 -3.87 1.13 4.01 -0.60 -4.64 117.16 111.66 1kqg n TYR 237 Ca 0.01 -2.95 -0.28 0.00 -0.16 0.00 0.00 57.90 54.53 1kqg n TYR 237 Cb 0.26 -2.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.01 1kqg n TYR 237 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1kqg n HIS 238 N 4.14 -1.72 -1.78 -0.72 -0.00 -1.21 -2.61 115.22 111.31 1kqg n HIS 238 Ca 0.59 0.64 -0.06 0.00 0.46 0.00 0.00 57.72 59.35 1kqg n HIS 238 Cb 0.31 -3.65 -0.01 0.00 -0.12 0.00 0.00 29.99 26.53 1kqg n HIS 238 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1kqg n GLY 239 N -1.89 0.38 3.71 1.57 0.00 -0.64 -5.00 105.19 103.32 1kqg n GLY 239 Ca -0.24 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1kqg n GLY 239 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kqg s LEU 240 N -1.67 4.37 0.33 0.99 2.96 -1.07 -4.84 118.68 119.75 1kqg s LEU 240 Ca 0.00 2.45 -0.29 0.00 -0.22 0.00 0.00 54.13 56.08 1kqg s LEU 240 Cb 0.00 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.00 1kqg s LEU 240 CO 0.00 -0.76 1.33 -2.84 -1.32 0.00 0.00 176.35 172.76 1kqg s PRO 241 N 1.44 4.32 -0.15 0.98 0.02 -1.26 -2.46 135.00 137.90 1kqg s PRO 241 Ca 0.68 2.26 -0.22 0.00 0.02 0.00 0.00 61.00 63.74 1kqg s PRO 241 Cb -0.40 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 1kqg s PRO 241 CO 0.31 -0.23 0.66 0.21 -0.33 0.00 0.00 177.00 177.62 1kqg s LYS 242 N -1.79 4.30 -1.24 5.54 2.20 -1.26 -4.32 119.74 123.16 1kqg s LYS 242 Ca 0.50 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.71 1kqg s LYS 242 Cb -0.41 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 1kqg s LYS 242 CO 0.54 -0.13 0.67 -3.47 -0.36 0.00 0.00 175.35 172.59 1kqg n ASP 243 N 4.61 -3.33 -4.74 1.43 2.03 -1.26 -4.90 116.55 110.39 1kqg n ASP 243 Ca -0.01 -0.99 -0.37 0.00 0.52 0.00 0.00 54.79 53.94 1kqg n ASP 243 Cb 0.50 -3.34 0.05 0.00 -0.72 0.00 0.00 41.12 37.61 1kqg n ASP 243 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1kqg s PRO 244 N -6.16 2.79 0.26 -0.67 0.04 -1.26 -4.93 135.00 125.07 1kqg s PRO 244 Ca 0.28 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 1kqg s PRO 244 Cb -0.10 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1kqg s PRO 244 CO 0.86 -1.40 0.62 -1.59 0.04 0.00 0.00 177.00 175.53 1kqg s LYS 245 N -3.27 1.67 0.13 4.56 -2.85 -1.26 -3.90 119.74 114.82 1kqg s LYS 245 Ca 0.79 -1.07 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 1kqg s LYS 245 Cb -0.36 0.55 -0.07 0.00 -2.06 0.00 0.00 37.83 35.89 1kqg s LYS 245 CO 0.39 -0.74 1.27 0.42 0.10 0.00 0.00 175.35 176.79 1kqg s ILE 246 N -3.95 3.59 0.46 3.79 1.01 -1.26 -4.67 121.20 120.16 1kqg s ILE 246 Ca 0.15 1.21 -0.24 0.00 0.00 0.00 0.00 60.65 61.76 1kqg s ILE 246 Cb -0.04 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1kqg s ILE 246 CO 0.07 0.13 1.28 -0.67 0.00 0.00 0.00 174.94 175.75 1kqg n ASP 247 N 3.39 2.52 -0.33 3.58 2.03 -1.26 -4.80 116.55 121.68 1kqg n ASP 247 Ca 0.08 1.06 -0.03 0.00 0.52 0.00 0.00 54.79 56.42 1kqg n ASP 247 Cb 0.44 -1.52 0.09 0.00 -0.72 0.00 0.00 41.12 39.42 1kqg n ASP 247 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1kqg h THR 248 N 1.87 1.23 -0.81 5.18 2.02 -1.99 -0.49 112.91 119.92 1kqg h THR 248 Ca -0.49 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1kqg h THR 248 Cb 1.30 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1kqg h THR 248 CO 0.59 0.22 0.35 0.77 0.37 0.00 0.00 175.52 177.82 1kqg h SER 249 N 1.22 1.09 -0.26 4.18 4.64 -2.00 -1.57 113.55 120.86 1kqg h SER 249 Ca 0.33 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 1kqg h SER 249 Cb -0.14 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.66 1kqg h SER 249 CO -0.07 0.94 -0.44 0.58 -0.87 0.00 0.00 176.83 176.97 1kqg h VAL 250 N 1.17 1.28 -0.40 0.95 2.07 -1.77 -0.76 116.25 118.79 1kqg h VAL 250 Ca 0.27 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1kqg h VAL 250 Cb 0.17 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1kqg h VAL 250 CO -0.03 0.53 0.25 0.28 0.02 0.00 0.00 177.57 178.62 1kqg h SER 251 N 0.66 0.47 -0.23 0.57 0.02 -0.70 -0.93 113.55 113.40 1kqg h SER 251 Ca 0.04 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1kqg h SER 251 Cb 1.02 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1kqg h SER 251 CO 0.10 0.37 -0.24 0.25 -1.14 0.00 0.00 176.83 176.17 1kqg h LEU 252 N 0.53 0.62 -0.23 5.07 5.85 -1.20 0.21 115.31 126.15 1kqg h LEU 252 Ca 0.14 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1kqg h LEU 252 Cb -0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1kqg h LEU 252 CO -0.03 0.97 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.77 1kqg h TRP 253 N 0.27 -0.05 0.00 1.25 7.01 -0.96 -2.68 115.95 120.80 1kqg h TRP 253 Ca 0.04 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1kqg h TRP 253 Cb 0.80 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 1kqg h TRP 253 CO 0.08 -0.06 -0.25 0.87 -2.79 0.00 0.00 178.44 176.29 1kqg h LYS 254 N 0.05 0.00 0.00 2.65 1.79 -1.18 -3.39 116.57 116.49 1kqg h LYS 254 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1kqg h LYS 254 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1kqg h LYS 254 CO -0.21 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 1kqg n GLY 255 N 1.30 0.15 0.38 3.86 0.00 0.74 -4.79 105.19 106.82 1kqg n GLY 255 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1kqg n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg h ALA 256 N -1.99 1.94 -0.98 4.61 0.00 -1.75 -2.64 119.26 118.45 1kqg h ALA 256 Ca 0.00 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.12 1kqg h ALA 256 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 1kqg h ALA 256 CO 0.00 -0.22 0.58 1.25 0.00 0.00 0.00 179.25 180.86 1kqg h LEU 257 N 0.61 0.75 0.90 0.00 5.85 -1.68 -2.49 115.31 119.24 1kqg h LEU 257 Ca 0.48 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.25 1kqg h LEU 257 Cb 0.91 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1kqg h LEU 257 CO -0.23 0.28 -0.43 0.11 -0.34 0.00 0.00 178.44 177.82 1kqg h LYS 258 N 0.75 -1.17 -0.77 1.25 1.79 -1.65 -0.37 116.57 116.39 1kqg h LYS 258 Ca 0.55 0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 59.05 1kqg h LYS 258 Cb 0.83 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 31.72 1kqg h LYS 258 CO -0.38 -0.78 0.28 -1.00 -1.08 0.00 0.00 179.45 176.50 1kqg h PRO 259 N -1.24 1.17 -0.02 3.15 0.13 -1.70 -0.04 132.00 133.45 1kqg h PRO 259 Ca -0.12 -0.23 0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1kqg h PRO 259 Cb 0.93 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 1kqg h PRO 259 CO 0.20 0.96 -0.23 -0.07 -0.23 0.00 0.00 178.00 178.64 1kqg h LEU 260 N 1.13 -0.68 -0.87 1.56 3.38 -1.43 0.37 115.31 118.78 1kqg h LEU 260 Ca 0.25 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1kqg h LEU 260 Cb 0.25 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1kqg h LEU 260 CO -0.02 -0.29 0.55 0.00 0.09 0.00 0.00 178.44 178.77 1kqg h ALA 261 N 0.53 1.18 -0.12 1.53 0.00 -0.49 -1.18 119.26 120.70 1kqg h ALA 261 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1kqg h ALA 261 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1kqg h ALA 261 CO -0.22 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.40 1kqg h ALA 262 N 1.39 0.13 -0.25 0.00 0.00 -0.19 -0.12 119.26 120.22 1kqg h ALA 262 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1kqg h ALA 262 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kqg h ALA 262 CO -0.15 -0.41 0.16 0.00 0.00 0.00 0.00 179.25 178.85 1kqg h ALA 263 N 1.07 0.32 -0.06 0.00 0.00 0.64 0.66 119.26 121.89 1kqg h ALA 263 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1kqg h ALA 263 Cb 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1kqg h ALA 263 CO -0.05 -0.21 -0.43 0.78 0.00 0.00 0.00 179.25 179.33 1kqg h GLY 264 N 0.34 -1.19 0.15 0.00 0.00 -0.98 0.27 103.07 101.66 1kqg h GLY 264 Ca 0.09 0.67 0.09 0.00 0.00 0.00 0.00 47.33 48.18 1kqg h GLY 264 CO -0.02 -0.28 -0.09 0.74 0.00 0.00 0.00 176.54 176.89 1kqg h PHE 265 N -0.50 -0.19 0.09 5.60 0.04 -0.77 0.60 116.94 121.81 1kqg h PHE 265 Ca 0.02 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1kqg h PHE 265 Cb 0.56 0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1kqg h PHE 265 CO -0.53 -0.17 -0.04 0.82 -0.60 0.00 0.00 178.31 177.79 1kqg h ILE 266 N 0.02 0.98 -0.45 -0.55 2.04 -0.27 -1.14 117.51 118.15 1kqg h ILE 266 Ca 0.21 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1kqg h ILE 266 Cb 0.32 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1kqg h ILE 266 CO -0.43 0.06 0.14 0.00 0.00 0.00 0.00 178.15 177.91 1kqg h ALA 267 N 0.68 0.53 0.17 1.87 0.00 -0.08 -0.50 119.26 121.92 1kqg h ALA 267 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kqg h ALA 267 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kqg h ALA 267 CO 0.02 -0.26 -0.13 1.15 0.00 0.00 0.00 179.25 180.03 1kqg h THR 268 N 0.29 0.72 -0.77 0.00 2.02 0.38 0.11 112.91 115.68 1kqg h THR 268 Ca 0.22 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.46 1kqg h THR 268 Cb 0.24 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1kqg h THR 268 CO -0.24 0.00 0.45 -0.26 0.37 0.00 0.00 175.52 175.84 1kqg h PHE 269 N -0.30 0.83 0.97 3.16 -1.00 -0.76 -0.41 116.94 119.42 1kqg h PHE 269 Ca -0.01 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 1kqg h PHE 269 Cb 0.27 -0.26 0.01 0.00 3.61 0.00 0.00 35.95 39.58 1kqg h PHE 269 CO -0.11 0.40 -0.46 0.00 -1.61 0.00 0.00 178.31 176.53 1kqg h ALA 270 N 1.38 -1.32 -0.59 2.45 0.00 -0.70 -1.49 119.26 118.99 1kqg h ALA 270 Ca 0.34 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1kqg h ALA 270 Cb 0.20 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1kqg h ALA 270 CO -0.19 -1.22 -0.56 0.78 0.00 0.00 0.00 179.25 178.06 1kqg h GLY 271 N -1.33 -0.92 0.79 0.00 0.00 -0.43 0.49 103.07 101.67 1kqg h GLY 271 Ca -0.13 0.73 0.04 0.00 0.00 0.00 0.00 47.33 47.97 1kqg h GLY 271 CO 0.22 -0.07 0.33 1.41 0.00 0.00 0.00 176.54 178.43 1kqg h LEU 272 N -0.28 0.52 0.15 3.11 3.38 -1.08 0.21 115.31 121.32 1kqg h LEU 272 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1kqg h LEU 272 Cb 0.54 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1kqg h LEU 272 CO -0.70 0.35 -0.07 0.40 0.09 0.00 0.00 178.44 178.51 1kqg h ILE 273 N 0.64 0.95 0.00 1.22 2.04 -0.25 -1.64 117.51 120.47 1kqg h ILE 273 Ca 0.24 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1kqg h ILE 273 Cb 0.09 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1kqg h ILE 273 CO -0.13 0.11 -0.15 -0.26 0.00 0.00 0.00 178.15 177.72 1kqg h PHE 274 N -0.42 0.00 -0.18 1.37 0.04 0.31 -2.47 116.94 115.59 1kqg h PHE 274 Ca -0.02 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1kqg h PHE 274 Cb 0.33 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1kqg h PHE 274 CO -0.00 0.15 -0.12 1.25 -0.60 0.00 0.00 178.31 178.99 1kqg h HIS 275 N 0.00 0.46 -0.25 -0.55 -0.00 -0.33 0.98 115.15 115.46 1kqg h HIS 275 Ca -0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1kqg h HIS 275 Cb 0.30 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1kqg h HIS 275 CO 0.00 0.72 0.10 -0.92 -0.00 0.00 0.00 177.93 177.83 1kqg h TYR 276 N 0.06 0.37 -0.22 5.26 3.20 -0.99 -2.05 116.97 122.60 1kqg h TYR 276 Ca 0.04 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1kqg h TYR 276 Cb 0.62 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1kqg h TYR 276 CO 0.07 0.39 0.01 0.82 -1.64 0.00 0.00 178.16 177.82 1kqg h ILE 277 N 0.24 1.25 -0.11 1.81 2.04 -1.50 0.35 117.51 121.58 1kqg h ILE 277 Ca 0.08 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1kqg h ILE 277 Cb 0.18 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1kqg h ILE 277 CO -0.01 0.26 0.06 1.23 0.00 0.00 0.00 178.15 179.70 1kqg h GLY 278 N 0.16 0.17 0.26 5.37 0.00 -0.71 -3.33 103.07 104.98 1kqg h GLY 278 Ca 0.06 -0.08 -0.33 0.00 0.00 0.00 0.00 47.33 46.99 1kqg h GLY 278 CO 0.01 0.08 -2.18 1.39 0.00 0.00 0.00 176.54 175.84 1kqg n ILE 279 N -4.96 1.36 0.00 2.60 5.41 -0.78 -5.08 119.36 117.91 1kqg n ILE 279 Ca -0.05 -0.82 0.00 0.00 1.00 0.00 0.00 62.75 62.88 1kqg n ILE 279 Cb 0.07 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 1kqg n ILE 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kqg n GLY 280 N 1.67 -1.52 3.46 7.39 0.00 0.12 -4.99 105.19 111.33 1kqg n GLY 280 Ca -0.27 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1kqg n GLY 280 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kqg n PRO 281 N -1.57 -2.20 -3.88 1.61 -0.04 -1.26 -4.93 135.00 122.73 1kqg n PRO 281 Ca 0.00 -0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 62.55 1kqg n PRO 281 Cb 0.00 -2.13 -0.12 0.00 -0.04 0.00 0.00 33.50 31.21 1kqg n PRO 281 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1kqg s ASN 282 N -2.35 4.84 0.50 3.54 3.84 -1.26 -5.07 114.94 118.98 1kqg s ASN 282 Ca 0.67 -3.60 0.02 0.00 0.21 0.00 0.00 52.86 50.16 1kqg s ASN 282 Cb -0.24 -1.68 0.02 0.00 -0.55 0.00 0.00 41.25 38.81 1kqg s ASN 282 CO 0.65 -0.14 0.71 -0.75 -2.79 0.00 0.00 177.10 174.78 1kqg s LYS 283 N -1.11 2.73 0.20 0.43 2.47 -1.26 -5.01 119.74 118.19 1kqg s LYS 283 Ca 0.23 -0.79 -0.13 0.00 -1.56 0.00 0.00 55.97 53.72 1kqg s LYS 283 Cb -0.11 -2.56 0.24 0.00 -1.46 0.00 0.00 37.83 33.94 1kqg s LYS 283 CO -0.12 -0.52 1.65 0.93 0.16 0.00 0.00 175.35 177.45 1kqg h GLU 284 N 0.26 0.04 -3.50 4.03 5.08 -2.07 -3.38 114.58 115.04 1kqg h GLU 284 Ca -0.43 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.39 1kqg h GLU 284 Cb 1.28 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.12 1kqg h GLU 284 CO 0.52 0.03 -0.76 0.08 -1.00 0.00 0.00 179.01 177.88 1kqg s VAL 285 N -6.20 0.62 -0.77 3.13 1.01 -1.26 -4.92 120.40 112.00 1kqg s VAL 285 Ca -0.14 -0.88 0.24 0.00 0.00 0.00 0.00 61.98 61.20 1kqg s VAL 285 Cb 0.18 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1kqg s VAL 285 CO 0.73 -0.41 1.30 -0.90 0.00 0.00 0.00 175.10 175.81 1kqg n ASP 286 N 4.99 0.61 0.08 3.32 5.75 -1.26 -4.00 116.55 126.04 1kqg n ASP 286 Ca -0.06 -0.09 -0.23 0.00 -0.01 0.00 0.00 54.79 54.39 1kqg n ASP 286 Cb 0.45 0.32 -0.15 0.00 -1.03 0.00 0.00 41.12 40.71 1kqg n ASP 286 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1kqg h ASP 287 N 0.00 0.65 -0.06 -1.12 1.82 -1.95 -3.28 116.42 112.48 1kqg h ASP 287 Ca 0.00 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.71 1kqg h ASP 287 Cb 0.65 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1kqg h ASP 287 CO 0.00 1.76 0.00 -0.90 -1.61 0.00 0.00 179.24 178.49 1kqg n ASP 288 N -3.66 0.68 -0.01 2.28 5.68 -1.26 -1.84 116.55 118.43 1kqg n ASP 288 Ca -0.23 -2.03 0.15 0.00 -0.50 0.00 0.00 54.79 52.19 1kqg n ASP 288 Cb 1.06 -0.19 0.84 0.00 -1.14 0.00 0.00 41.12 41.69 1kqg n ASP 288 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1kqg n GLU 289 N -0.20 0.69 0.00 0.11 0.28 -1.24 -5.18 120.64 115.11 1kqg n GLU 289 Ca 0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1kqg n GLU 289 Cb 0.14 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.51 1kqg n GLU 289 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12