#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s ILE 2 N 0.00 2.18 0.12 -0.61 -4.36 -1.26 -5.12 121.20 112.15 1k9m s ILE 2 Ca 0.00 -0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.17 1k9m s ILE 2 Cb 0.00 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 1k9m s ILE 2 CO 0.00 0.00 -0.08 -0.44 0.24 0.00 0.00 174.94 174.66 1k9m s SER 3 N -4.63 1.45 0.02 4.36 0.01 -1.26 -5.09 113.70 108.57 1k9m s SER 3 Ca 0.64 -0.98 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1k9m s SER 3 Cb -0.09 0.04 -0.08 0.00 0.21 0.00 0.00 66.02 66.11 1k9m s SER 3 CO 0.46 -0.38 1.74 -0.31 0.41 0.00 0.00 173.24 175.16 1k9m s TYR 4 N -3.34 1.98 -1.98 2.43 1.51 -1.26 -4.82 117.35 111.87 1k9m s TYR 4 Ca 0.13 0.07 0.31 0.00 -1.01 0.00 0.00 57.07 56.57 1k9m s TYR 4 Cb 0.03 -4.03 1.66 0.00 -0.11 0.00 0.00 41.96 39.51 1k9m s TYR 4 CO -0.02 -4.33 2.09 -1.13 -1.11 0.00 0.00 175.55 171.05 1k9m n SER 5 N 6.58 0.29 -4.18 2.29 3.41 -1.26 -4.81 113.62 115.94 1k9m n SER 5 Ca 0.17 -0.94 -0.21 0.00 -0.26 0.00 0.00 58.87 57.64 1k9m n SER 5 Cb 0.41 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 1k9m n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1k9m s VAL 6 N -2.11 1.26 0.16 -3.33 1.01 -1.26 -5.13 120.40 111.00 1k9m s VAL 6 Ca 0.42 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1k9m s VAL 6 Cb 0.21 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 1k9m s VAL 6 CO 0.39 -0.03 0.94 -1.61 0.00 0.00 0.00 175.10 174.79 1k9m s GLU 7 N -1.37 4.76 -0.08 2.72 2.02 -1.26 -5.06 118.70 120.42 1k9m s GLU 7 Ca 0.02 1.45 0.01 0.00 0.02 0.00 0.00 54.97 56.47 1k9m s GLU 7 Cb -0.09 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1k9m s GLU 7 CO 0.02 0.35 -0.09 0.00 0.02 0.00 0.00 175.26 175.56 1k9m s ALA 8 N -0.52 1.19 -0.32 5.21 0.00 -1.26 -5.11 121.76 120.96 1k9m s ALA 8 Ca 0.44 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1k9m s ALA 8 Cb -0.24 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1k9m s ALA 8 CO 0.30 -0.17 1.38 0.34 0.00 0.00 0.00 175.76 177.62 1k9m s ASP 9 N 1.22 6.53 0.56 0.00 -1.08 -1.26 -4.90 116.67 117.75 1k9m s ASP 9 Ca -0.04 1.15 0.29 0.00 -0.52 0.00 0.00 52.55 53.43 1k9m s ASP 9 Cb -0.14 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.25 1k9m s ASP 9 CO -0.03 -1.21 1.91 1.55 0.52 0.00 0.00 175.17 177.91 1k9m h PRO 10 N 9.93 0.00 0.00 4.34 0.13 -2.00 -1.96 132.00 142.44 1k9m h PRO 10 Ca -0.28 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1k9m h PRO 10 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1k9m h PRO 10 CO 1.04 0.00 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.17 1k9m h ASP 11 N 0.00 0.00 0.00 1.44 3.32 -2.03 -3.30 116.42 115.85 1k9m h ASP 11 Ca 0.29 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1k9m h ASP 11 Cb 1.33 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.76 1k9m h ASP 11 CO -0.00 0.21 -0.58 0.35 -1.72 0.00 0.00 179.24 177.49 1k9m n THR 12 N -3.23 0.98 -3.84 0.35 -2.24 -0.91 -5.06 114.28 100.33 1k9m n THR 12 Ca 0.02 -1.67 -0.12 0.00 -2.27 0.00 0.00 64.05 60.01 1k9m n THR 12 Cb 0.52 0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.94 1k9m n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k9m s THR 13 N -1.46 0.02 -0.04 4.28 2.01 -0.78 -2.43 115.64 117.23 1k9m s THR 13 Ca 0.28 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1k9m s THR 13 Cb 0.28 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.55 1k9m s THR 13 CO -0.07 -0.07 -0.21 0.00 -0.69 0.00 0.00 174.62 173.58 1k9m s ALA 14 N -0.18 1.83 0.39 7.40 0.00 -0.83 -4.72 121.76 125.65 1k9m s ALA 14 Ca -0.03 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1k9m s ALA 14 Cb -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 1k9m s ALA 14 CO 0.00 0.36 0.04 0.15 0.00 0.00 0.00 175.76 176.31 1k9m s LYS 15 N -0.15 2.02 -0.18 0.00 1.02 -1.26 0.36 119.74 121.55 1k9m s LYS 15 Ca -0.01 -1.98 -0.32 0.00 0.02 0.00 0.00 55.97 53.68 1k9m s LYS 15 Cb -0.12 -1.77 0.14 0.00 -0.52 0.00 0.00 37.83 35.57 1k9m s LYS 15 CO 0.02 -0.02 1.15 0.00 -0.92 0.00 0.00 175.35 175.58 1k9m s ALA 16 N -2.65 -2.02 0.09 5.17 0.00 -0.97 -4.59 121.76 116.79 1k9m s ALA 16 Ca 0.36 1.58 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 1k9m s ALA 16 Cb 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1k9m s ALA 16 CO 0.19 -0.47 0.40 -1.64 0.00 0.00 0.00 175.76 174.24 1k9m s MET 17 N -1.93 0.99 0.13 0.00 -1.94 -1.26 -1.48 119.30 113.82 1k9m s MET 17 Ca 0.06 -0.56 0.10 0.00 -1.71 0.00 0.00 55.69 53.58 1k9m s MET 17 Cb -0.01 0.44 -0.04 0.00 2.01 0.00 0.00 34.83 37.23 1k9m s MET 17 CO -0.04 -0.37 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.88 1k9m s LEU 18 N -2.44 2.58 -0.05 -0.03 1.43 -0.67 -4.96 118.68 114.54 1k9m s LEU 18 Ca -0.01 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1k9m s LEU 18 Cb 0.01 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1k9m s LEU 18 CO -0.08 0.17 -0.13 -0.13 0.23 0.00 0.00 176.35 176.42 1k9m s ARG 19 N -2.21 1.48 -1.50 1.70 1.81 -1.26 -2.72 118.95 116.25 1k9m s ARG 19 Ca 0.17 -0.43 -0.06 0.00 -1.72 0.00 0.00 55.73 53.70 1k9m s ARG 19 Cb -0.10 -1.28 0.01 0.00 -0.45 0.00 0.00 34.95 33.12 1k9m s ARG 19 CO 0.09 0.12 0.11 0.39 -0.68 0.00 0.00 175.30 175.33 1k9m n GLU 20 N 3.46 -0.83 -2.69 3.54 1.02 -0.79 -4.89 120.64 119.45 1k9m n GLU 20 Ca -0.20 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 1k9m n GLU 20 Cb 0.53 -3.40 -0.03 0.00 -0.02 0.00 0.00 31.44 28.51 1k9m n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1k9m s ARG 21 N -7.41 4.55 -1.00 3.49 1.81 0.37 -4.58 118.95 116.18 1k9m s ARG 21 Ca 0.08 1.45 -0.21 0.00 -1.72 0.00 0.00 55.73 55.33 1k9m s ARG 21 Cb -0.04 -3.45 0.09 0.00 -0.45 0.00 0.00 34.95 31.10 1k9m s ARG 21 CO 1.00 -0.07 1.32 -0.65 -0.68 0.00 0.00 175.30 176.22 1k9m s GLN 22 N 1.02 3.63 0.25 3.54 -0.21 -1.26 0.22 119.66 126.85 1k9m s GLN 22 Ca 0.52 -1.50 -0.14 0.00 0.02 0.00 0.00 55.36 54.26 1k9m s GLN 22 Cb -0.22 -5.16 0.00 0.00 1.00 0.00 0.00 33.01 28.63 1k9m s GLN 22 CO 0.28 -2.00 0.52 0.00 -2.12 0.00 0.00 175.29 171.97 1k9m s MET 23 N 3.80 1.58 0.06 2.91 0.23 -1.23 -4.96 119.30 121.68 1k9m s MET 23 Ca 0.40 -1.19 -0.30 0.00 -1.03 0.00 0.00 55.69 53.57 1k9m s MET 23 Cb -0.02 0.49 -0.10 0.00 -1.53 0.00 0.00 34.83 33.68 1k9m s MET 23 CO -0.09 -0.67 1.94 0.45 -2.03 0.00 0.00 175.02 174.63 1k9m n SER 24 N -0.39 4.13 -0.05 -1.18 2.88 -1.26 -4.51 113.62 113.24 1k9m n SER 24 Ca -0.02 0.93 -0.09 0.00 -1.33 0.00 0.00 58.87 58.36 1k9m n SER 24 Cb 0.61 -1.53 0.07 0.00 -0.75 0.00 0.00 64.21 62.62 1k9m n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1k9m h PHE 25 N 10.05 0.82 -0.53 0.66 3.57 -1.95 -2.79 116.94 126.77 1k9m h PHE 25 Ca -0.49 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 60.74 1k9m h PHE 25 Cb 1.24 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1k9m h PHE 25 CO 0.91 0.95 0.14 0.87 -2.23 0.00 0.00 178.31 178.96 1k9m h LYS 26 N 0.58 0.80 -0.11 1.11 1.57 -2.01 -1.55 116.57 116.96 1k9m h LYS 26 Ca 0.06 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1k9m h LYS 26 Cb 0.88 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1k9m h LYS 26 CO 0.08 0.71 -0.57 0.45 -0.57 0.00 0.00 179.45 179.56 1k9m h HIS 27 N 0.78 0.43 -0.18 -1.35 3.86 -1.94 -3.14 115.15 113.60 1k9m h HIS 27 Ca 0.17 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1k9m h HIS 27 Cb 0.27 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1k9m h HIS 27 CO 0.02 0.83 0.07 0.77 0.86 0.00 0.00 177.93 180.47 1k9m h SER 28 N 0.26 0.26 -0.35 2.45 0.02 -1.03 0.12 113.55 115.28 1k9m h SER 28 Ca 0.00 -0.18 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1k9m h SER 28 Cb 1.07 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.48 1k9m h SER 28 CO 0.09 0.37 -0.04 0.11 -1.14 0.00 0.00 176.83 176.23 1k9m h LYS 29 N 0.13 0.05 -0.26 3.45 1.57 -1.36 0.17 116.57 120.33 1k9m h LYS 29 Ca 0.06 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1k9m h LYS 29 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1k9m h LYS 29 CO -0.00 0.03 0.15 0.00 -0.57 0.00 0.00 179.45 179.06 1k9m h ALA 30 N 1.32 0.32 -0.30 3.86 0.00 -1.47 0.11 119.26 123.11 1k9m h ALA 30 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k9m h ALA 30 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1k9m h ALA 30 CO -0.31 -0.23 0.11 0.82 0.00 0.00 0.00 179.25 179.64 1k9m h ILE 31 N 0.32 1.19 -0.15 0.00 2.04 -0.07 -1.07 117.51 119.76 1k9m h ILE 31 Ca 0.10 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1k9m h ILE 31 Cb -0.01 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1k9m h ILE 31 CO -0.04 0.20 0.02 0.00 0.00 0.00 0.00 178.15 178.33 1k9m h ALA 32 N 0.95 0.15 -0.82 1.87 0.00 -0.83 -1.38 119.26 119.20 1k9m h ALA 32 Ca 0.10 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1k9m h ALA 32 Cb 0.20 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1k9m h ALA 32 CO -0.01 -0.42 0.43 -0.09 0.00 0.00 0.00 179.25 179.16 1k9m h ARG 33 N 0.08 0.65 -0.26 0.00 2.43 -0.56 -2.03 114.38 114.68 1k9m h ARG 33 Ca 0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1k9m h ARG 33 Cb 0.07 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1k9m h ARG 33 CO -0.10 0.43 -0.22 1.49 -1.51 0.00 0.00 179.97 180.06 1k9m h GLU 34 N 0.66 0.61 -0.00 0.20 4.57 -0.57 -3.29 114.58 116.76 1k9m h GLU 34 Ca 0.42 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1k9m h GLU 34 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1k9m h GLU 34 CO -0.31 0.90 -0.13 0.44 -1.18 0.00 0.00 179.01 178.73 1k9m n ILE 35 N -4.36 0.00 -1.93 2.32 -5.35 -0.58 -4.88 119.36 104.59 1k9m n ILE 35 Ca -0.04 -0.08 -0.40 0.00 -0.27 0.00 0.00 62.75 61.96 1k9m n ILE 35 Cb 0.43 0.01 -0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1k9m n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1k9m s LYS 36 N -2.46 4.00 0.00 6.28 2.20 -0.80 -2.00 119.74 126.97 1k9m s LYS 36 Ca 0.28 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1k9m s LYS 36 Cb 0.20 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1k9m s LYS 36 CO 0.48 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1k9m n GLY 37 N 0.61 2.67 3.86 5.54 0.00 -0.62 -5.02 105.19 112.25 1k9m n GLY 37 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1k9m n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m s LYS 38 N -0.34 2.13 0.07 1.61 1.02 -0.85 -4.57 119.74 118.81 1k9m s LYS 38 Ca 0.00 0.32 -0.22 0.00 0.02 0.00 0.00 55.97 56.10 1k9m s LYS 38 Cb 0.00 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1k9m s LYS 38 CO 0.00 -1.52 0.64 0.99 -0.92 0.00 0.00 175.35 174.54 1k9m s THR 39 N -3.41 4.69 0.31 2.17 2.01 -1.26 -0.42 115.64 119.74 1k9m s THR 39 Ca 0.61 1.37 0.05 0.00 0.31 0.00 0.00 61.69 64.04 1k9m s THR 39 Cb -0.12 -3.98 0.34 0.00 0.01 0.00 0.00 72.50 68.75 1k9m s THR 39 CO 0.51 0.50 1.62 0.00 -0.69 0.00 0.00 174.62 176.56 1k9m h ALA 40 N 4.86 1.41 -0.51 7.40 0.00 -0.64 0.50 119.26 132.29 1k9m h ALA 40 Ca -0.47 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1k9m h ALA 40 Cb 1.21 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1k9m h ALA 40 CO 0.66 -0.57 -0.04 0.78 0.00 0.00 0.00 179.25 180.08 1k9m h GLY 41 N 0.14 0.96 0.89 0.00 0.00 -1.59 -1.83 103.07 101.63 1k9m h GLY 41 Ca 0.61 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1k9m h GLY 41 CO -0.74 0.64 0.08 0.83 0.00 0.00 0.00 176.54 177.35 1k9m h GLU 42 N 0.81 0.46 -0.79 4.80 5.08 -0.40 -2.33 114.58 122.21 1k9m h GLU 42 Ca 0.14 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1k9m h GLU 42 Cb 0.55 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 1k9m h GLU 42 CO 0.03 0.53 0.47 0.00 -1.00 0.00 0.00 179.01 179.04 1k9m h ALA 43 N 0.91 1.08 0.15 3.43 0.00 -0.56 0.30 119.26 124.57 1k9m h ALA 43 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k9m h ALA 43 Cb 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1k9m h ALA 43 CO -0.00 0.19 -0.07 0.28 0.00 0.00 0.00 179.25 179.64 1k9m h VAL 44 N 0.86 0.93 -0.70 0.00 2.07 -1.18 -1.41 116.25 116.81 1k9m h VAL 44 Ca 0.35 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1k9m h VAL 44 Cb 0.19 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1k9m h VAL 44 CO -0.18 0.07 0.41 0.44 0.02 0.00 0.00 177.57 178.34 1k9m h ASP 45 N -0.35 0.65 0.57 0.57 3.32 -0.92 -1.73 116.42 118.54 1k9m h ASP 45 Ca -0.02 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1k9m h ASP 45 Cb 0.28 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1k9m h ASP 45 CO 0.03 0.43 -0.43 0.22 -1.72 0.00 0.00 179.24 177.78 1k9m h TYR 46 N 0.79 -1.16 -0.68 4.55 3.20 -0.78 -2.20 116.97 120.69 1k9m h TYR 46 Ca 0.30 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.26 1k9m h TYR 46 Cb 0.11 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1k9m h TYR 46 CO -0.06 -0.62 0.45 -0.07 -1.64 0.00 0.00 178.16 176.22 1k9m h LEU 47 N -0.97 0.50 -0.98 2.82 3.38 -1.08 0.53 115.31 119.50 1k9m h LEU 47 Ca -0.07 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1k9m h LEU 47 Cb 0.82 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1k9m h LEU 47 CO 0.02 0.30 -0.33 -0.33 0.09 0.00 0.00 178.44 178.19 1k9m h GLU 48 N 0.56 0.32 -0.08 1.13 5.08 -0.98 0.92 114.58 121.52 1k9m h GLU 48 Ca 0.31 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1k9m h GLU 48 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1k9m h GLU 48 CO -0.10 0.62 -0.59 0.00 -1.00 0.00 0.00 179.01 177.94 1k9m h ALA 49 N 1.38 0.85 0.23 3.43 0.00 -0.36 0.02 119.26 124.81 1k9m h ALA 49 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1k9m h ALA 49 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1k9m h ALA 49 CO 0.06 0.72 -0.11 0.28 0.00 0.00 0.00 179.25 180.19 1k9m h VAL 50 N 0.20 0.84 -0.84 0.00 2.07 -0.32 0.31 116.25 118.51 1k9m h VAL 50 Ca -0.00 -0.62 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1k9m h VAL 50 Cb 1.09 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 1k9m h VAL 50 CO 0.09 0.13 0.55 0.40 0.02 0.00 0.00 177.57 178.76 1k9m h ILE 51 N -0.64 0.88 0.00 4.57 2.04 -0.71 0.32 117.51 123.97 1k9m h ILE 51 Ca -0.03 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1k9m h ILE 51 Cb 0.46 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1k9m h ILE 51 CO 0.05 0.12 -0.25 -0.08 0.00 0.00 0.00 178.15 178.00 1k9m h GLU 52 N 0.68 0.00 0.00 2.37 4.57 -0.70 -3.48 114.58 118.03 1k9m h GLU 52 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1k9m h GLU 52 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1k9m h GLU 52 CO -0.17 0.25 0.00 0.41 -1.18 0.00 0.00 179.01 178.32 1k9m n GLY 53 N 0.35 0.73 0.04 1.92 0.00 0.11 -4.95 105.19 103.39 1k9m n GLY 53 Ca 0.01 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1k9m n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9m n ASP 54 N 0.62 1.02 -3.77 1.61 8.00 0.30 -4.87 116.55 119.46 1k9m n ASP 54 Ca 0.00 -0.94 -0.21 0.00 0.71 0.00 0.00 54.79 54.35 1k9m n ASP 54 Cb 0.00 0.84 -0.17 0.00 -0.02 0.00 0.00 41.12 41.77 1k9m n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1k9m s GLN 55 N -2.95 0.41 0.22 -1.24 2.00 -1.06 -4.96 119.66 112.07 1k9m s GLN 55 Ca 0.10 0.15 -0.13 0.00 -2.00 0.00 0.00 55.36 53.47 1k9m s GLN 55 Cb 0.16 -0.76 -0.07 0.00 0.80 0.00 0.00 33.01 33.14 1k9m s GLN 55 CO 0.82 -0.26 0.59 -1.25 -0.50 0.00 0.00 175.29 174.69 1k9m s PRO 56 N 1.74 3.93 -0.30 1.67 0.04 -1.26 -3.94 135.00 136.87 1k9m s PRO 56 Ca 0.01 0.45 -0.15 0.00 0.04 0.00 0.00 61.00 61.35 1k9m s PRO 56 Cb -0.13 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1k9m s PRO 56 CO -0.04 0.35 0.37 0.08 0.04 0.00 0.00 177.00 177.81 1k9m s VAL 57 N -1.70 5.16 0.13 -0.36 1.01 0.24 -4.87 120.40 120.02 1k9m s VAL 57 Ca 0.45 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.48 1k9m s VAL 57 Cb -0.13 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1k9m s VAL 57 CO 0.20 0.05 1.79 -2.84 0.00 0.00 0.00 175.10 174.30 1k9m s PRO 58 N 2.07 4.14 -0.71 2.72 0.02 -1.26 -1.69 135.00 140.30 1k9m s PRO 58 Ca 0.14 2.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.62 1k9m s PRO 58 Cb -0.16 -3.51 0.19 0.00 0.02 0.00 0.00 34.50 31.04 1k9m s PRO 58 CO 0.11 -0.82 0.62 -0.06 -0.33 0.00 0.00 177.00 176.52 1k9m s PHE 59 N 2.46 3.59 -0.08 6.54 2.99 -0.55 -4.84 117.98 128.08 1k9m s PHE 59 Ca 0.79 -2.07 0.14 0.00 0.00 0.00 0.00 56.93 55.80 1k9m s PHE 59 Cb -0.46 -3.64 -0.12 0.00 0.00 0.00 0.00 43.02 38.80 1k9m s PHE 59 CO 0.35 -0.96 0.97 0.87 -0.00 0.00 0.00 175.22 176.46 1k9m h LYS 60 N 7.80 0.00 0.00 0.44 1.57 -1.91 -3.40 116.57 121.07 1k9m h LYS 60 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1k9m h LYS 60 Cb 1.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 1k9m h LYS 60 CO 0.79 0.46 -2.16 0.94 -0.57 0.00 0.00 179.45 178.90 1k9m n GLN 61 N -3.04 0.45 -2.67 3.15 7.27 -1.26 -4.75 117.38 116.53 1k9m n GLN 61 Ca -0.08 0.18 -0.43 0.00 0.07 0.00 0.00 57.00 56.75 1k9m n GLN 61 Cb 0.87 -1.26 0.01 0.00 2.41 0.00 0.00 30.24 32.27 1k9m n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1k9m n HIS 62 N -3.83 2.54 -0.91 3.69 8.25 -1.26 -4.73 115.22 118.97 1k9m n HIS 62 Ca -0.40 -2.66 0.09 0.00 -0.26 0.00 0.00 57.72 54.48 1k9m n HIS 62 Cb 0.80 -1.56 0.14 0.00 1.12 0.00 0.00 29.99 30.50 1k9m n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1k9m n ASN 63 N 2.29 2.57 -4.68 0.41 6.94 -1.26 -4.96 115.26 116.57 1k9m n ASN 63 Ca 0.34 -2.92 -0.42 0.00 -0.02 0.00 0.00 54.58 51.56 1k9m n ASN 63 Cb 0.34 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 1k9m n ASN 63 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1k9m s SER 64 N -2.46 6.64 0.00 0.53 1.04 -1.26 -2.08 113.70 116.11 1k9m s SER 64 Ca 0.30 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.13 1k9m s SER 64 Cb 0.25 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1k9m s SER 64 CO 0.04 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1k9m n GLY 65 N 3.98 0.96 3.74 7.32 0.00 -1.26 -5.00 105.19 114.92 1k9m n GLY 65 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1k9m n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 66 N -3.72 4.03 0.33 1.61 1.01 -0.88 -5.01 120.40 117.76 1k9m s VAL 66 Ca 0.00 1.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.46 1k9m s VAL 66 Cb 0.00 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 1k9m s VAL 66 CO 0.00 0.29 0.96 -0.83 0.00 0.00 0.00 175.10 175.52 1k9m s GLY 67 N -0.10 2.80 0.81 4.51 0.00 -1.26 -4.83 107.32 109.25 1k9m s GLY 67 Ca 0.49 0.55 -0.11 0.00 0.00 0.00 0.00 44.72 45.65 1k9m s GLY 67 CO 0.33 1.00 1.13 0.30 0.00 0.00 0.00 173.10 175.87 1k9m s HIS 68 N -1.61 2.14 -0.05 1.90 0.09 -1.26 -3.50 115.29 113.01 1k9m s HIS 68 Ca 0.51 1.65 0.00 0.00 -0.00 0.00 0.00 55.06 57.22 1k9m s HIS 68 Cb -0.19 -3.23 0.03 0.00 -0.00 0.00 0.00 32.58 29.18 1k9m s HIS 68 CO 0.25 -2.28 -0.02 0.15 -0.00 0.00 0.00 174.74 172.84 1k9m s LYS 69 N -4.60 0.60 0.39 1.40 -0.14 0.52 -4.85 119.74 113.06 1k9m s LYS 69 Ca 0.66 0.02 0.07 0.00 -1.36 0.00 0.00 55.97 55.35 1k9m s LYS 69 Cb -0.21 -0.77 0.81 0.00 -1.68 0.00 0.00 37.83 35.98 1k9m s LYS 69 CO 0.54 -0.16 2.00 0.66 -0.76 0.00 0.00 175.35 177.63 1k9m h SER 70 N 7.55 0.57 0.65 2.83 4.64 -1.96 -2.33 113.55 125.50 1k9m h SER 70 Ca -0.33 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1k9m h SER 70 Cb 1.14 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1k9m h SER 70 CO 0.41 0.38 0.00 0.29 -0.87 0.00 0.00 176.83 177.04 1k9m n LYS 71 N -4.47 0.07 -2.56 4.77 5.02 -1.26 -4.66 118.16 115.07 1k9m n LYS 71 Ca 0.08 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.23 1k9m n LYS 71 Cb 0.17 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1k9m n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k9m s VAL 72 N -3.11 4.45 -0.15 -0.18 1.01 -0.88 -4.95 120.40 116.60 1k9m s VAL 72 Ca 0.07 1.76 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 1k9m s VAL 72 Cb 0.10 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1k9m s VAL 72 CO 0.34 0.10 -0.02 -0.62 0.00 0.00 0.00 175.10 174.89 1k9m s ASP 73 N 1.12 4.93 0.00 3.32 2.15 -1.26 -4.39 116.67 122.54 1k9m s ASP 73 Ca 0.55 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.46 1k9m s ASP 73 Cb -0.24 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1k9m s ASP 73 CO 0.26 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 176.07 1k9m n GLY 74 N 3.32 1.13 3.61 2.66 0.00 -1.26 -4.94 105.19 109.70 1k9m n GLY 74 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1k9m n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k9m s TRP 75 N -3.93 0.73 0.00 1.61 -0.11 -1.26 -5.12 118.94 110.86 1k9m s TRP 75 Ca 0.00 -1.12 0.00 0.00 1.22 0.00 0.00 56.10 56.20 1k9m s TRP 75 Cb 0.00 0.25 0.00 0.00 -1.50 0.00 0.00 33.47 32.22 1k9m s TRP 75 CO 0.00 -1.30 0.00 -0.40 -4.62 0.00 0.00 176.95 170.63 1k9m n ASP 76 N -1.43 1.29 -4.77 5.86 5.68 -1.26 -4.71 116.55 117.20 1k9m n ASP 76 Ca -0.02 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.87 1k9m n ASP 76 Cb 0.61 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.53 1k9m n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k9m s ALA 77 N -1.91 3.41 0.04 2.12 0.00 -1.26 -0.35 121.76 123.81 1k9m s ALA 77 Ca 0.00 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 1k9m s ALA 77 Cb 0.00 -3.03 0.09 0.00 0.00 0.00 0.00 23.12 20.18 1k9m s ALA 77 CO 0.00 0.27 1.03 0.20 0.00 0.00 0.00 175.76 177.26 1k9m s GLY 78 N -1.18 -0.34 0.08 0.00 0.00 -1.23 -1.49 107.32 103.18 1k9m s GLY 78 Ca 0.38 0.63 -0.00 0.00 0.00 0.00 0.00 44.72 45.72 1k9m s GLY 78 CO 0.28 0.17 0.12 0.54 0.00 0.00 0.00 173.10 174.21 1k9m n ARG 79 N -0.37 0.17 -3.45 2.90 1.74 -0.68 -4.70 116.66 112.26 1k9m n ARG 79 Ca -0.07 -0.66 -0.27 0.00 -0.77 0.00 0.00 57.85 56.08 1k9m n ARG 79 Cb 0.61 0.64 -0.08 0.00 -1.02 0.00 0.00 32.46 32.61 1k9m n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1k9m n TYR 80 N -0.14 2.86 -1.72 -1.55 4.02 -1.26 0.82 117.16 120.20 1k9m n TYR 80 Ca 0.00 -4.06 -0.18 0.00 -0.01 0.00 0.00 57.90 53.65 1k9m n TYR 80 Cb 0.14 -0.51 -0.09 0.00 -0.02 0.00 0.00 39.34 38.86 1k9m n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1k9m s PRO 81 N -2.07 1.63 0.09 -0.72 0.02 -1.26 -4.83 135.00 127.86 1k9m s PRO 81 Ca 0.37 -0.29 -0.19 0.00 0.02 0.00 0.00 61.00 60.91 1k9m s PRO 81 Cb 0.12 -4.98 -0.08 0.00 0.02 0.00 0.00 34.50 29.59 1k9m s PRO 81 CO -0.05 -4.78 1.56 1.05 -0.33 0.00 0.00 177.00 174.44 1k9m h GLU 82 N 11.57 0.43 0.53 5.54 4.11 -1.92 -1.77 114.58 133.06 1k9m h GLU 82 Ca 0.05 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1k9m h GLU 82 Cb 0.99 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1k9m h GLU 82 CO 1.06 0.56 -0.38 -0.22 0.07 0.00 0.00 179.01 180.11 1k9m h LYS 83 N 0.23 -0.83 -0.80 1.06 3.64 -1.99 0.64 116.57 118.51 1k9m h LYS 83 Ca 0.08 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 1k9m h LYS 83 Cb 0.34 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 1k9m h LYS 83 CO 0.01 -0.55 0.34 0.00 -2.27 0.00 0.00 179.45 176.97 1k9m h ALA 84 N -1.27 1.18 -0.45 5.00 0.00 -1.93 0.58 119.26 122.36 1k9m h ALA 84 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k9m h ALA 84 Cb 0.71 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1k9m h ALA 84 CO 0.04 -0.22 0.30 0.77 0.00 0.00 0.00 179.25 180.13 1k9m h SER 85 N 0.46 0.52 -0.03 0.00 0.02 -0.86 -1.03 113.55 112.63 1k9m h SER 85 Ca 0.45 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.26 1k9m h SER 85 Cb 0.73 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1k9m h SER 85 CO -0.43 0.37 -0.39 0.11 -1.14 0.00 0.00 176.83 175.36 1k9m h LYS 86 N 0.61 0.54 0.00 3.45 1.57 0.14 -1.42 116.57 121.46 1k9m h LYS 86 Ca 0.16 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1k9m h LYS 86 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1k9m h LYS 86 CO -0.04 0.84 -0.48 0.00 -0.57 0.00 0.00 179.45 179.20 1k9m h ALA 87 N 1.13 0.95 0.00 3.86 0.00 -0.41 -2.56 119.26 122.24 1k9m h ALA 87 Ca 0.04 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1k9m h ALA 87 Cb 0.88 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1k9m h ALA 87 CO 0.07 0.60 -0.73 0.74 0.00 0.00 0.00 179.25 179.94 1k9m h PHE 88 N 0.00 0.00 0.00 0.00 -1.00 -0.73 -1.82 116.94 113.39 1k9m h PHE 88 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1k9m h PHE 88 Cb 1.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 1k9m h PHE 88 CO 0.00 0.73 -0.49 -0.07 -1.61 0.00 0.00 178.31 176.86 1k9m h LEU 89 N 0.00 0.00 -0.14 1.54 3.38 -0.97 0.30 115.31 119.41 1k9m h LEU 89 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1k9m h LEU 89 Cb 1.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.11 1k9m h LEU 89 CO 0.09 0.49 -0.82 0.44 0.09 0.00 0.00 178.44 178.73 1k9m h ASP 90 N 0.00 0.93 -0.50 -0.43 5.19 -1.21 0.29 116.42 120.69 1k9m h ASP 90 Ca -0.00 -0.63 -0.04 0.00 -0.62 0.00 0.00 57.03 55.73 1k9m h ASP 90 Cb 0.91 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 1k9m h ASP 90 CO 0.06 1.43 0.15 0.25 -3.12 0.00 0.00 179.24 178.02 1k9m h LEU 91 N 0.51 0.73 -0.82 1.55 5.85 -0.88 -1.99 115.31 120.26 1k9m h LEU 91 Ca -0.07 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 1k9m h LEU 91 Cb 1.46 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1k9m h LEU 91 CO 0.17 0.75 -0.59 -0.07 -0.34 0.00 0.00 178.44 178.35 1k9m h LEU 92 N 0.68 0.00 -1.08 2.25 3.38 -0.90 -0.73 115.31 118.92 1k9m h LEU 92 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1k9m h LEU 92 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1k9m h LEU 92 CO -0.00 0.59 -0.30 -0.08 0.09 0.00 0.00 178.44 178.74 1k9m h GLU 93 N 0.00 0.29 0.02 1.13 4.81 -0.67 -0.72 114.58 119.43 1k9m h GLU 93 Ca -0.01 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1k9m h GLU 93 Cb 1.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1k9m h GLU 93 CO 0.08 0.56 -0.01 -0.97 -0.73 0.00 0.00 179.01 177.94 1k9m h ASN 94 N 0.25 -0.02 -0.38 1.04 -1.24 -1.03 -2.52 115.58 111.69 1k9m h ASN 94 Ca 0.04 -0.75 0.00 0.00 0.71 0.00 0.00 56.30 56.30 1k9m h ASN 94 Cb 0.66 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1k9m h ASN 94 CO 0.05 0.77 0.25 0.00 -1.29 0.00 0.00 177.43 177.21 1k9m h ALA 95 N 0.08 0.48 0.00 1.57 0.00 -1.07 0.16 119.26 120.47 1k9m h ALA 95 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1k9m h ALA 95 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k9m h ALA 95 CO 0.00 -0.06 -0.21 0.28 0.00 0.00 0.00 179.25 179.26 1k9m h VAL 96 N 0.51 1.14 -0.09 0.00 2.07 -1.24 0.11 116.25 118.74 1k9m h VAL 96 Ca 0.14 -0.73 -0.18 0.00 0.82 0.00 0.00 66.70 66.75 1k9m h VAL 96 Cb -0.06 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1k9m h VAL 96 CO -0.03 0.21 -0.64 1.23 0.02 0.00 0.00 177.57 178.36 1k9m h GLY 97 N 0.65 0.65 1.07 2.17 0.00 -0.81 -1.98 103.07 104.82 1k9m h GLY 97 Ca -0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 47.33 46.28 1k9m h GLY 97 CO 0.03 0.86 0.16 3.43 0.00 0.00 0.00 176.54 181.03 1k9m h ASN 98 N 0.21 1.09 -0.18 0.19 -0.26 -0.27 -1.96 115.58 114.41 1k9m h ASN 98 Ca -0.05 -0.24 0.03 0.00 -0.56 0.00 0.00 56.30 55.48 1k9m h ASN 98 Cb 1.29 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 38.24 1k9m h ASN 98 CO 0.13 1.04 -0.01 0.00 -1.06 0.00 0.00 177.43 177.53 1k9m h ALA 99 N 1.08 0.14 -0.76 -0.83 0.00 -0.75 -2.65 119.26 115.50 1k9m h ALA 99 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1k9m h ALA 99 Cb 0.39 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1k9m h ALA 99 CO 0.00 -0.45 0.48 -0.44 0.00 0.00 0.00 179.25 178.84 1k9m h ASP 100 N 0.04 0.90 0.06 0.00 3.32 -1.12 -0.79 116.42 118.84 1k9m h ASP 100 Ca 0.08 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1k9m h ASP 100 Cb 0.11 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1k9m h ASP 100 CO -0.15 0.68 0.00 1.57 -1.72 0.00 0.00 179.24 179.62 1k9m n HIS 101 N -4.52 0.00 0.18 4.55 -0.00 -0.76 -0.99 115.22 113.68 1k9m n HIS 101 Ca 0.07 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.28 1k9m n HIS 101 Cb 0.04 -0.09 0.03 0.00 -0.12 0.00 0.00 29.99 29.86 1k9m n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1k9m n GLN 102 N -1.09 0.40 -0.06 1.57 6.02 -0.34 -5.00 117.38 118.88 1k9m n GLN 102 Ca 0.08 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 1k9m n GLN 102 Cb 0.05 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1k9m n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k9m n GLY 103 N 0.27 0.56 3.93 1.08 0.00 -0.16 -5.07 105.19 105.81 1k9m n GLY 103 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1k9m n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k9m s PHE 104 N -2.24 2.30 -0.78 1.61 0.40 -0.94 -4.99 117.98 113.34 1k9m s PHE 104 Ca 0.00 0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 56.57 1k9m s PHE 104 Cb 0.00 -3.55 0.20 0.00 0.51 0.00 0.00 43.02 40.19 1k9m s PHE 104 CO 0.00 -1.95 0.71 0.34 0.70 0.00 0.00 175.22 175.03 1k9m s ASP 105 N -4.69 6.60 0.00 1.36 2.15 -1.26 -4.15 116.67 116.68 1k9m s ASP 105 Ca 0.66 -2.60 0.00 0.00 0.43 0.00 0.00 52.55 51.04 1k9m s ASP 105 Cb -0.08 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1k9m s ASP 105 CO 0.48 -0.59 0.82 0.61 -0.17 0.00 0.00 175.17 176.32 1k9m n GLY 106 N 4.09 -3.25 0.33 2.66 0.00 -1.26 -2.27 105.19 105.48 1k9m n GLY 106 Ca 0.10 0.58 0.23 0.00 0.00 0.00 0.00 46.02 46.94 1k9m n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k9m h GLU 107 N 0.00 0.16 0.00 1.61 5.08 -1.93 0.39 114.58 119.89 1k9m h GLU 107 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1k9m h GLU 107 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1k9m h GLU 107 CO 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 1k9m n ALA 108 N -2.45 2.28 -1.77 3.43 0.00 -0.96 -1.68 120.51 119.36 1k9m n ALA 108 Ca 0.31 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1k9m n ALA 108 Cb 1.00 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 1k9m n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1k9m s MET 109 N -2.32 4.58 0.37 0.00 -1.94 0.14 -4.64 119.30 115.49 1k9m s MET 109 Ca 0.28 1.52 -0.21 0.00 -1.71 0.00 0.00 55.69 55.56 1k9m s MET 109 Cb 0.16 -2.96 -0.10 0.00 2.01 0.00 0.00 34.83 33.94 1k9m s MET 109 CO 0.32 0.24 0.91 0.99 -0.01 0.00 0.00 175.02 177.46 1k9m s THR 110 N -1.41 4.39 -0.87 2.05 2.01 -0.39 -0.55 115.64 120.86 1k9m s THR 110 Ca 0.48 1.50 -0.20 0.00 0.31 0.00 0.00 61.69 63.77 1k9m s THR 110 Cb -0.24 -3.73 0.10 0.00 0.01 0.00 0.00 72.50 68.65 1k9m s THR 110 CO 0.31 -0.15 1.13 -0.63 -0.69 0.00 0.00 174.62 174.59 1k9m s ILE 111 N -1.97 4.51 0.07 1.82 1.01 0.45 -0.35 121.20 126.74 1k9m s ILE 111 Ca 0.57 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 1k9m s ILE 111 Cb -0.12 -4.79 -0.11 0.00 0.01 0.00 0.00 42.46 37.45 1k9m s ILE 111 CO 0.17 -1.56 1.47 0.50 0.00 0.00 0.00 174.94 175.52 1k9m h LYS 112 N 9.16 0.37 -3.44 2.79 3.64 -1.25 -1.65 116.57 126.20 1k9m h LYS 112 Ca 0.05 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 59.05 1k9m h LYS 112 Cb 1.03 -0.02 -0.30 0.00 -0.41 0.00 0.00 32.23 32.53 1k9m h LYS 112 CO 1.17 0.61 -0.63 -1.58 -2.27 0.00 0.00 179.45 176.75 1k9m s HIS 113 N -4.80 -0.09 -0.14 1.91 5.04 -1.11 -4.78 115.29 111.31 1k9m s HIS 113 Ca -0.14 0.29 -0.08 0.00 -1.54 0.00 0.00 55.06 53.59 1k9m s HIS 113 Cb 0.06 -0.05 0.05 0.00 0.04 0.00 0.00 32.58 32.68 1k9m s HIS 113 CO 0.74 -0.09 0.34 0.54 -2.34 0.00 0.00 174.74 173.93 1k9m s VAL 114 N 0.58 -0.03 -0.14 0.89 0.11 -1.26 -0.31 120.40 120.24 1k9m s VAL 114 Ca -0.04 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.85 1k9m s VAL 114 Cb -0.06 -0.51 0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1k9m s VAL 114 CO -0.02 0.05 0.66 0.00 -3.33 0.00 0.00 175.10 172.45 1k9m s ALA 115 N 1.28 -1.67 0.11 1.54 0.00 -0.94 -4.80 121.76 117.28 1k9m s ALA 115 Ca -0.09 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.44 1k9m s ALA 115 Cb -0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1k9m s ALA 115 CO -0.10 -0.34 0.06 0.00 0.00 0.00 0.00 175.76 175.38 1k9m s ALA 116 N -0.49 3.46 -0.01 0.00 0.00 -1.26 -1.78 121.76 121.69 1k9m s ALA 116 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1k9m s ALA 116 Cb -0.02 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1k9m s ALA 116 CO 0.05 0.66 0.01 -1.01 0.00 0.00 0.00 175.76 175.48 1k9m s HIS 117 N -1.47 0.04 -0.42 0.00 3.76 -0.79 -4.96 115.29 111.45 1k9m s HIS 117 Ca 0.29 0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 54.99 1k9m s HIS 117 Cb -0.11 -0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.49 1k9m s HIS 117 CO 0.21 -0.04 0.88 0.21 -0.85 0.00 0.00 174.74 175.15 1k9m s LYS 118 N 0.42 3.62 0.00 1.40 2.20 -1.26 -1.40 119.74 124.72 1k9m s LYS 118 Ca -0.04 0.24 0.24 0.00 -0.36 0.00 0.00 55.97 56.05 1k9m s LYS 118 Cb -0.05 -3.88 0.31 0.00 -1.51 0.00 0.00 37.83 32.69 1k9m s LYS 118 CO -0.01 -1.08 1.28 0.28 -0.36 0.00 0.00 175.35 175.47 1k9m n VAL 119 N 6.16 0.00 -3.08 4.02 0.31 0.33 -4.99 118.33 121.07 1k9m n VAL 119 Ca 0.05 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1k9m n VAL 119 Cb 0.48 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 34.31 1k9m n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k9m n GLY 120 N 1.39 -1.62 2.85 2.92 0.00 -1.19 -4.94 105.19 104.61 1k9m n GLY 120 Ca 0.10 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1k9m n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k9m s GLU 121 N -1.73 0.04 -0.38 1.61 2.02 -1.26 -0.88 118.70 118.11 1k9m s GLU 121 Ca 0.00 0.34 -0.29 0.00 0.02 0.00 0.00 54.97 55.04 1k9m s GLU 121 Cb 0.00 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.01 1k9m s GLU 121 CO 0.00 -0.19 1.29 -1.14 0.02 0.00 0.00 175.26 175.24 1k9m s GLN 122 N 1.34 3.76 0.34 1.61 0.74 0.61 -4.88 119.66 123.18 1k9m s GLN 122 Ca -0.07 0.98 -0.27 0.00 0.05 0.00 0.00 55.36 56.05 1k9m s GLN 122 Cb -0.12 -3.93 -0.09 0.00 1.10 0.00 0.00 33.01 29.97 1k9m s GLN 122 CO -0.05 -1.33 1.11 -0.65 -0.55 0.00 0.00 175.29 173.82 1k9m s GLN 123 N 4.48 4.37 0.13 1.67 -0.21 -1.26 -2.27 119.66 126.56 1k9m s GLN 123 Ca 0.56 1.74 -0.04 0.00 0.02 0.00 0.00 55.36 57.63 1k9m s GLN 123 Cb -0.13 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 1k9m s GLN 123 CO 0.28 -0.02 0.14 0.20 -2.12 0.00 0.00 175.29 173.77 1k9m s GLY 124 N -1.12 0.70 -0.02 3.09 0.00 -1.19 -4.95 107.32 103.83 1k9m s GLY 124 Ca 0.51 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1k9m s GLY 124 CO 0.37 -1.12 -0.08 -1.60 0.00 0.00 0.00 173.10 170.67 1k9m s ARG 125 N -4.00 0.79 -0.21 2.90 6.06 -1.26 -1.07 118.95 122.16 1k9m s ARG 125 Ca 0.19 -0.28 0.00 0.00 -2.50 0.00 0.00 55.73 53.15 1k9m s ARG 125 Cb 0.06 -0.76 0.03 0.00 0.06 0.00 0.00 34.95 34.34 1k9m s ARG 125 CO -0.01 0.12 -0.14 0.21 -2.50 0.00 0.00 175.30 172.98 1k9m s LYS 126 N 0.07 2.86 0.61 5.12 2.47 0.10 -4.84 119.74 126.14 1k9m s LYS 126 Ca -0.01 -0.94 -0.19 0.00 -1.56 0.00 0.00 55.97 53.27 1k9m s LYS 126 Cb -0.06 -2.74 -0.02 0.00 -1.46 0.00 0.00 37.83 33.54 1k9m s LYS 126 CO 0.00 -0.31 1.31 -2.14 0.16 0.00 0.00 175.35 174.37 1k9m s PRO 127 N 1.28 2.75 0.23 4.03 0.02 -1.26 -1.87 135.00 140.18 1k9m s PRO 127 Ca 0.02 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.16 1k9m s PRO 127 Cb -0.15 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1k9m s PRO 127 CO -0.09 -1.46 0.10 0.54 -0.33 0.00 0.00 177.00 175.77 1k9m n ARG 128 N -1.63 0.62 -2.27 5.54 5.12 0.69 -4.86 116.66 119.85 1k9m n ARG 128 Ca 0.14 -2.01 -0.37 0.00 -1.93 0.00 0.00 57.85 53.68 1k9m n ARG 128 Cb 0.47 1.21 -0.01 0.00 -1.16 0.00 0.00 32.46 32.97 1k9m n ARG 128 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1k9m s ALA 129 N -2.68 2.98 -0.96 7.54 0.00 -1.26 -3.85 121.76 123.52 1k9m s ALA 129 Ca 0.15 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 1k9m s ALA 129 Cb 0.01 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1k9m s ALA 129 CO 0.10 -0.63 0.84 -1.33 0.00 0.00 0.00 175.76 174.74 1k9m n MET 130 N -0.48 -1.86 0.00 0.00 2.81 -1.26 -3.47 117.12 112.86 1k9m n MET 130 Ca 0.07 1.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.97 1k9m n MET 130 Cb 0.48 -5.57 0.00 0.00 -0.71 0.00 0.00 33.22 27.42 1k9m n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k9m n GLY 131 N -1.44 0.38 3.94 3.03 0.00 -1.26 -4.97 105.19 104.88 1k9m n GLY 131 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1k9m n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9m s ARG 132 N 0.00 3.30 0.13 1.61 3.52 -1.23 -4.91 118.95 121.37 1k9m s ARG 132 Ca 0.00 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1k9m s ARG 132 Cb 0.00 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 1k9m s ARG 132 CO 0.00 -0.07 -0.07 0.00 -0.81 0.00 0.00 175.30 174.34 1k9m s ALA 133 N -2.46 1.25 0.26 6.12 0.00 -1.26 -0.22 121.76 125.44 1k9m s ALA 133 Ca 0.44 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1k9m s ALA 133 Cb -0.10 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1k9m s ALA 133 CO 0.38 -0.18 0.34 -1.54 0.00 0.00 0.00 175.76 174.76 1k9m s SER 134 N -3.12 0.35 0.72 0.00 1.04 -0.78 -4.89 113.70 107.02 1k9m s SER 134 Ca 0.15 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.17 1k9m s SER 134 Cb 0.04 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1k9m s SER 134 CO -0.01 -1.07 1.14 0.00 0.98 0.00 0.00 173.24 174.28 1k9m s ALA 135 N -3.81 2.24 -0.49 5.32 0.00 -1.26 -0.72 121.76 123.04 1k9m s ALA 135 Ca 0.31 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1k9m s ALA 135 Cb 0.02 -3.38 0.22 0.00 0.00 0.00 0.00 23.12 19.99 1k9m s ALA 135 CO 0.14 -1.67 0.77 1.87 0.00 0.00 0.00 175.76 176.87 1k9m n TRP 136 N -2.81 -3.10 -3.65 0.00 -0.00 -0.23 -4.56 117.44 103.08 1k9m n TRP 136 Ca 0.11 -1.88 -0.20 0.00 -0.00 0.00 0.00 57.50 55.54 1k9m n TRP 136 Cb 0.51 1.29 -0.01 0.00 -0.00 0.00 0.00 31.31 33.11 1k9m n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1k9m s ASN 137 N -0.74 6.06 -0.09 5.87 0.01 -1.26 -3.16 114.94 121.63 1k9m s ASN 137 Ca 0.32 -0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.39 1k9m s ASN 137 Cb 0.14 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.36 1k9m s ASN 137 CO -0.17 -0.30 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.47 1k9m s SER 138 N -4.10 3.36 0.73 -1.22 0.01 -0.96 -4.97 113.70 106.54 1k9m s SER 138 Ca 0.41 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 1k9m s SER 138 Cb -0.09 -1.28 0.03 0.00 0.21 0.00 0.00 66.02 64.88 1k9m s SER 138 CO 0.30 0.19 1.07 -2.84 0.41 0.00 0.00 173.24 172.38 1k9m s PRO 139 N 0.15 2.68 -0.10 12.44 0.02 -1.26 -0.28 135.00 148.65 1k9m s PRO 139 Ca -0.11 0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1k9m s PRO 139 Cb -0.16 -1.96 0.02 0.00 0.02 0.00 0.00 34.50 32.42 1k9m s PRO 139 CO 0.06 -1.27 -0.08 -0.65 -0.33 0.00 0.00 177.00 174.73 1k9m s GLN 140 N -5.06 1.51 0.04 5.54 -0.21 -0.06 -3.46 119.66 117.96 1k9m s GLN 140 Ca 0.59 -0.27 0.08 0.00 0.02 0.00 0.00 55.36 55.78 1k9m s GLN 140 Cb -0.14 -1.50 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1k9m s GLN 140 CO 0.55 -0.20 -0.23 0.08 -2.12 0.00 0.00 175.29 173.37 1k9m s VAL 141 N 1.47 2.39 0.29 1.09 1.01 0.13 -0.51 120.40 126.27 1k9m s VAL 141 Ca 0.00 -1.30 0.10 0.00 0.00 0.00 0.00 61.98 60.79 1k9m s VAL 141 Cb -0.13 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1k9m s VAL 141 CO -0.05 0.37 -0.06 -1.81 0.00 0.00 0.00 175.10 173.54 1k9m s ASP 142 N -1.28 4.12 -0.29 3.32 1.11 -0.49 0.14 116.67 123.30 1k9m s ASP 142 Ca 0.13 -0.88 -0.18 0.00 0.18 0.00 0.00 52.55 51.80 1k9m s ASP 142 Cb -0.10 -0.57 0.12 0.00 1.07 0.00 0.00 42.92 43.44 1k9m s ASP 142 CO 0.03 -0.06 0.91 0.54 1.18 0.00 0.00 175.17 177.77 1k9m s VAL 143 N -2.45 0.00 0.12 -1.27 0.11 -1.10 -1.88 120.40 113.93 1k9m s VAL 143 Ca 0.32 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1k9m s VAL 143 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1k9m s VAL 143 CO 0.18 0.00 0.07 -1.83 -3.33 0.00 0.00 175.10 170.19 1k9m s GLU 144 N 1.19 2.74 -0.09 1.54 -1.05 -0.73 -1.67 118.70 120.63 1k9m s GLU 144 Ca -0.07 -0.84 -0.07 0.00 -0.15 0.00 0.00 54.97 53.84 1k9m s GLU 144 Cb -0.04 -2.61 0.03 0.00 -0.44 0.00 0.00 34.13 31.07 1k9m s GLU 144 CO -0.14 0.52 0.23 -1.17 0.95 0.00 0.00 175.26 175.65 1k9m s LEU 145 N -2.68 0.89 -0.19 1.83 2.96 -0.55 -2.22 118.68 118.73 1k9m s LEU 145 Ca 0.29 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1k9m s LEU 145 Cb -0.11 0.75 0.05 0.00 0.50 0.00 0.00 46.19 47.39 1k9m s LEU 145 CO 0.21 -0.11 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.49 1k9m s ILE 146 N 0.51 0.91 0.25 6.68 1.01 0.57 -2.29 121.20 128.85 1k9m s ILE 146 Ca -0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1k9m s ILE 146 Cb -0.05 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.10 1k9m s ILE 146 CO -0.03 -0.05 0.66 -0.76 0.00 0.00 0.00 174.94 174.76 1k9m s LEU 147 N 1.69 4.18 -0.03 2.97 1.43 0.16 -0.72 118.68 128.36 1k9m s LEU 147 Ca -0.01 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1k9m s LEU 147 Cb -0.17 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1k9m s LEU 147 CO -0.07 -0.08 0.13 -0.70 0.23 0.00 0.00 176.35 175.85 1k9m s GLU 148 N -2.60 0.28 0.30 1.70 2.12 0.53 -1.96 118.70 119.07 1k9m s GLU 148 Ca 0.48 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 1k9m s GLU 148 Cb -0.12 0.12 -0.10 0.00 0.26 0.00 0.00 34.13 34.28 1k9m s GLU 148 CO 0.19 -0.05 1.44 -1.21 -0.54 0.00 0.00 175.26 175.09 1k9m s GLU 149 N -0.51 4.23 0.00 4.30 2.02 -1.02 -1.26 118.70 126.46 1k9m s GLU 149 Ca -0.06 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1k9m s GLU 149 Cb -0.04 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1k9m s GLU 149 CO 0.01 -0.42 0.32 -2.30 0.02 0.00 0.00 175.26 172.89