#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s ILE 2 N 0.00 1.95 0.12 -0.61 -4.36 -1.26 -5.11 121.20 111.92 1n8r s ILE 2 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1n8r s ILE 2 Cb 0.00 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 1n8r s ILE 2 CO 0.00 0.00 0.02 -0.44 0.24 0.00 0.00 174.94 174.76 1n8r s SER 3 N -4.73 0.58 0.03 4.36 0.01 -1.26 -5.10 113.70 107.59 1n8r s SER 3 Ca 0.73 -1.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 1n8r s SER 3 Cb -0.05 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 1n8r s SER 3 CO 0.53 -0.65 1.50 -0.31 0.41 0.00 0.00 173.24 174.72 1n8r s TYR 4 N -3.91 2.68 -1.84 2.43 1.51 -1.26 -4.85 117.35 112.11 1n8r s TYR 4 Ca 0.19 0.62 0.30 0.00 -1.01 0.00 0.00 57.07 57.17 1n8r s TYR 4 Cb 0.07 -3.78 1.39 0.00 -0.11 0.00 0.00 41.96 39.53 1n8r s TYR 4 CO -0.01 -3.00 1.95 -1.13 -1.11 0.00 0.00 175.55 172.25 1n8r n SER 5 N 5.46 0.47 -4.12 2.29 3.41 -1.26 -4.79 113.62 115.08 1n8r n SER 5 Ca 0.14 -0.77 -0.26 0.00 -0.26 0.00 0.00 58.87 57.72 1n8r n SER 5 Cb 0.42 -0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 1n8r n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n8r s VAL 6 N -2.30 1.40 0.34 -3.33 1.01 -1.26 -5.12 120.40 111.13 1n8r s VAL 6 Ca 0.35 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1n8r s VAL 6 Cb 0.21 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.27 1n8r s VAL 6 CO 0.43 0.41 1.30 -1.61 0.00 0.00 0.00 175.10 175.63 1n8r s GLU 7 N 0.13 4.34 -0.04 2.72 2.02 -1.26 -5.03 118.70 121.58 1n8r s GLU 7 Ca -0.06 2.21 -0.01 0.00 0.02 0.00 0.00 54.97 57.14 1n8r s GLU 7 Cb -0.12 -3.05 0.03 0.00 0.10 0.00 0.00 34.13 31.08 1n8r s GLU 7 CO 0.03 -0.20 0.02 0.00 0.02 0.00 0.00 175.26 175.12 1n8r s ALA 8 N -1.15 0.34 -0.23 5.21 0.00 -1.26 -5.11 121.76 119.56 1n8r s ALA 8 Ca 0.49 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 1n8r s ALA 8 Cb -0.40 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1n8r s ALA 8 CO 0.53 -0.24 1.38 0.34 0.00 0.00 0.00 175.76 177.76 1n8r s ASP 9 N 1.46 6.68 0.61 0.00 -1.08 -1.26 -4.92 116.67 118.16 1n8r s ASP 9 Ca -0.04 1.49 0.31 0.00 -0.52 0.00 0.00 52.55 53.80 1n8r s ASP 9 Cb -0.13 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.60 1n8r s ASP 9 CO -0.03 -1.02 2.16 1.55 0.52 0.00 0.00 175.17 178.35 1n8r h PRO 10 N 9.33 0.00 0.00 4.34 0.13 -2.00 -2.09 132.00 141.71 1n8r h PRO 10 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1n8r h PRO 10 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1n8r h PRO 10 CO 1.00 0.00 -0.47 -0.44 -0.23 0.00 0.00 178.00 177.87 1n8r h ASP 11 N 0.00 0.00 0.00 1.44 3.32 -2.02 -3.33 116.42 115.83 1n8r h ASP 11 Ca 0.05 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1n8r h ASP 11 Cb 0.32 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.73 1n8r h ASP 11 CO -0.00 0.47 -0.66 0.35 -1.72 0.00 0.00 179.24 177.67 1n8r n THR 12 N -3.23 1.25 -3.87 0.35 -2.24 -1.09 -5.06 114.28 100.39 1n8r n THR 12 Ca 0.02 -2.17 -0.11 0.00 -2.27 0.00 0.00 64.05 59.52 1n8r n THR 12 Cb 0.71 0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 1n8r n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n8r s THR 13 N -1.84 0.04 -0.07 4.28 2.01 -0.81 -2.70 115.64 116.56 1n8r s THR 13 Ca 0.34 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1n8r s THR 13 Cb 0.35 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.65 1n8r s THR 13 CO -0.10 -0.17 -0.14 0.00 -0.69 0.00 0.00 174.62 173.53 1n8r s ALA 14 N -0.51 1.39 0.30 7.40 0.00 0.19 -4.76 121.76 125.77 1n8r s ALA 14 Ca -0.06 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.49 1n8r s ALA 14 Cb -0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1n8r s ALA 14 CO 0.00 0.11 0.10 0.15 0.00 0.00 0.00 175.76 176.12 1n8r s LYS 15 N 0.67 2.41 -0.15 0.00 1.02 -1.26 0.29 119.74 122.72 1n8r s LYS 15 Ca -0.14 -1.44 -0.30 0.00 0.02 0.00 0.00 55.97 54.10 1n8r s LYS 15 Cb -0.16 -2.22 0.12 0.00 -0.52 0.00 0.00 37.83 35.06 1n8r s LYS 15 CO 0.04 0.23 0.98 0.00 -0.92 0.00 0.00 175.35 175.68 1n8r s ALA 16 N -2.36 -1.92 0.02 5.17 0.00 -0.38 -4.64 121.76 117.65 1n8r s ALA 16 Ca 0.35 1.56 -0.10 0.00 0.00 0.00 0.00 51.96 53.76 1n8r s ALA 16 Cb -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1n8r s ALA 16 CO 0.22 -0.33 0.21 -1.64 0.00 0.00 0.00 175.76 174.23 1n8r s MET 17 N -1.19 0.64 -0.02 0.00 -1.94 -1.26 -1.07 119.30 114.46 1n8r s MET 17 Ca -0.02 -0.45 0.03 0.00 -1.71 0.00 0.00 55.69 53.54 1n8r s MET 17 Cb -0.00 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 37.07 1n8r s MET 17 CO 0.02 -0.18 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.25 1n8r s LEU 18 N -1.71 3.04 -0.11 -0.03 1.43 -0.68 -4.96 118.68 115.66 1n8r s LEU 18 Ca -0.10 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1n8r s LEU 18 Cb -0.04 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1n8r s LEU 18 CO -0.00 0.31 -0.20 -0.13 0.23 0.00 0.00 176.35 176.55 1n8r s ARG 19 N -1.15 2.72 -1.64 1.70 1.81 -1.26 -2.04 118.95 119.08 1n8r s ARG 19 Ca 0.15 -0.75 -0.15 0.00 -1.72 0.00 0.00 55.73 53.25 1n8r s ARG 19 Cb -0.11 -2.14 0.12 0.00 -0.45 0.00 0.00 34.95 32.37 1n8r s ARG 19 CO 0.05 0.07 0.75 0.39 -0.68 0.00 0.00 175.30 175.87 1n8r n GLU 20 N 3.82 -3.47 -2.48 3.54 1.02 -0.72 -4.91 120.64 117.44 1n8r n GLU 20 Ca -0.20 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 56.94 1n8r n GLU 20 Cb 0.52 -5.05 -0.04 0.00 -0.02 0.00 0.00 31.44 26.85 1n8r n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1n8r s ARG 21 N -6.84 4.61 -0.75 3.49 1.81 0.15 -4.49 118.95 116.93 1n8r s ARG 21 Ca 0.61 1.78 -0.19 0.00 -1.72 0.00 0.00 55.73 56.21 1n8r s ARG 21 Cb -0.33 -3.23 0.13 0.00 -0.45 0.00 0.00 34.95 31.07 1n8r s ARG 21 CO 0.91 0.14 0.89 -0.65 -0.68 0.00 0.00 175.30 175.92 1n8r s GLN 22 N -0.95 3.33 0.23 3.54 -0.21 -1.26 0.19 119.66 124.53 1n8r s GLN 22 Ca 0.47 -1.57 -0.22 0.00 0.02 0.00 0.00 55.36 54.05 1n8r s GLN 22 Cb -0.31 -4.50 0.04 0.00 1.00 0.00 0.00 33.01 29.24 1n8r s GLN 22 CO 0.38 -1.62 0.68 0.00 -2.12 0.00 0.00 175.29 172.61 1n8r s MET 23 N 2.50 1.57 -0.14 2.91 0.23 -1.22 -5.00 119.30 120.16 1n8r s MET 23 Ca 0.21 -0.78 -0.31 0.00 -1.03 0.00 0.00 55.69 53.78 1n8r s MET 23 Cb -0.14 0.60 -0.09 0.00 -1.53 0.00 0.00 34.83 33.66 1n8r s MET 23 CO -0.01 -0.71 2.07 0.45 -2.03 0.00 0.00 175.02 174.79 1n8r n SER 24 N -0.43 3.39 -0.08 -1.18 2.88 -1.26 -4.58 113.62 112.36 1n8r n SER 24 Ca -0.09 0.60 -0.05 0.00 -1.33 0.00 0.00 58.87 58.00 1n8r n SER 24 Cb 0.61 -1.46 0.15 0.00 -0.75 0.00 0.00 64.21 62.76 1n8r n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1n8r h PHE 25 N 12.12 0.80 -0.00 0.66 3.57 -1.95 -1.92 116.94 130.21 1n8r h PHE 25 Ca -0.43 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 60.86 1n8r h PHE 25 Cb 1.26 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1n8r h PHE 25 CO 0.93 0.80 -0.33 0.87 -2.23 0.00 0.00 178.31 178.36 1n8r h LYS 26 N 0.66 0.00 -0.00 1.11 1.57 -2.01 -1.52 116.57 116.39 1n8r h LYS 26 Ca 0.11 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1n8r h LYS 26 Cb 0.57 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.90 1n8r h LYS 26 CO 0.04 0.33 -1.01 0.45 -0.57 0.00 0.00 179.45 178.69 1n8r h HIS 27 N 0.00 0.91 -0.57 -1.35 3.86 -1.83 -3.23 115.15 112.94 1n8r h HIS 27 Ca -0.00 -0.49 -0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1n8r h HIS 27 Cb 0.58 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1n8r h HIS 27 CO 0.00 1.33 0.34 0.77 0.86 0.00 0.00 177.93 181.23 1n8r h SER 28 N 0.35 0.69 -0.24 2.45 0.02 -0.88 -1.24 113.55 114.70 1n8r h SER 28 Ca -0.11 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1n8r h SER 28 Cb 1.65 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.95 1n8r h SER 28 CO 0.19 0.55 -0.18 0.11 -1.14 0.00 0.00 176.83 176.36 1n8r h LYS 29 N 0.77 -0.17 -0.30 3.45 1.57 -1.33 0.25 116.57 120.81 1n8r h LYS 29 Ca 0.20 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1n8r h LYS 29 Cb -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1n8r h LYS 29 CO -0.04 -0.11 0.15 0.00 -0.57 0.00 0.00 179.45 178.88 1n8r h ALA 30 N 0.95 1.69 0.16 3.86 0.00 -1.51 0.64 119.26 125.05 1n8r h ALA 30 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n8r h ALA 30 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n8r h ALA 30 CO -0.34 0.25 -0.07 0.82 0.00 0.00 0.00 179.25 179.91 1n8r h ILE 31 N 0.42 0.56 -0.11 0.00 2.04 -0.61 -2.49 117.51 117.33 1n8r h ILE 31 Ca 0.11 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1n8r h ILE 31 Cb 0.04 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1n8r h ILE 31 CO -0.02 0.16 -0.14 0.00 0.00 0.00 0.00 178.15 178.16 1n8r h ALA 32 N -0.63 -0.39 -0.51 1.87 0.00 -0.82 -0.58 119.26 118.20 1n8r h ALA 32 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1n8r h ALA 32 Cb 0.43 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1n8r h ALA 32 CO 0.04 -0.46 -0.29 -2.13 0.00 0.00 0.00 179.25 176.41 1n8r n ARG 33 N -3.36 -0.21 -0.13 0.00 0.63 0.20 -0.04 116.66 113.75 1n8r n ARG 33 Ca -0.01 0.78 -0.02 0.00 -0.92 0.00 0.00 57.85 57.68 1n8r n ARG 33 Cb 0.08 -1.15 0.21 0.00 0.45 0.00 0.00 32.46 32.05 1n8r n ARG 33 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1n8r h GLU 34 N 0.00 0.83 0.00 -0.14 4.57 -0.77 -3.25 114.58 115.81 1n8r h GLU 34 Ca 0.10 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1n8r h GLU 34 Cb 0.23 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1n8r h GLU 34 CO -0.49 0.72 -0.54 0.44 -1.18 0.00 0.00 179.01 177.97 1n8r n ILE 35 N -4.30 0.04 -1.74 2.32 -5.35 0.94 -4.87 119.36 106.40 1n8r n ILE 35 Ca 0.04 -0.03 -0.42 0.00 -0.27 0.00 0.00 62.75 62.07 1n8r n ILE 35 Cb 0.20 0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.31 1n8r n ILE 35 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1n8r n LYS 36 N -1.57 2.74 0.00 6.28 4.81 -0.87 -1.41 118.16 128.14 1n8r n LYS 36 Ca 0.05 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1n8r n LYS 36 Cb 0.35 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.62 1n8r n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n8r n GLY 37 N 2.54 2.74 3.88 3.14 0.00 -0.22 -5.01 105.19 112.26 1n8r n GLY 37 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1n8r n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8r s LYS 38 N -0.66 3.36 0.08 1.61 1.02 -0.50 -4.54 119.74 120.12 1n8r s LYS 38 Ca 0.00 0.63 -0.30 0.00 0.02 0.00 0.00 55.97 56.32 1n8r s LYS 38 Cb 0.00 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1n8r s LYS 38 CO 0.00 -0.70 0.98 0.99 -0.92 0.00 0.00 175.35 175.71 1n8r s THR 39 N -3.21 4.55 0.30 2.17 2.01 -1.26 -0.80 115.64 119.40 1n8r s THR 39 Ca 0.56 2.02 0.06 0.00 0.31 0.00 0.00 61.69 64.64 1n8r s THR 39 Cb -0.11 -4.29 0.37 0.00 0.01 0.00 0.00 72.50 68.49 1n8r s THR 39 CO 0.53 0.26 1.46 0.00 -0.69 0.00 0.00 174.62 176.18 1n8r n ALA 40 N 3.14 0.60 -0.14 7.40 0.00 0.17 0.68 120.51 132.36 1n8r n ALA 40 Ca 0.04 0.98 -0.10 0.00 0.00 0.00 0.00 53.44 54.36 1n8r n ALA 40 Cb 0.49 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1n8r n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n8r h GLY 41 N 0.00 0.75 1.11 0.00 0.00 -1.57 -1.70 103.07 101.66 1n8r h GLY 41 Ca 0.62 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1n8r h GLY 41 CO -0.83 0.48 0.35 0.83 0.00 0.00 0.00 176.54 177.37 1n8r h GLU 42 N 0.53 1.14 -0.64 4.80 5.08 -0.03 -2.09 114.58 123.38 1n8r h GLU 42 Ca 0.12 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1n8r h GLU 42 Cb 0.42 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1n8r h GLU 42 CO 0.01 0.90 0.42 0.00 -1.00 0.00 0.00 179.01 179.34 1n8r h ALA 43 N 1.25 0.81 -0.10 3.43 0.00 -0.19 -0.62 119.26 123.84 1n8r h ALA 43 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1n8r h ALA 43 Cb 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n8r h ALA 43 CO -0.03 0.23 0.04 0.28 0.00 0.00 0.00 179.25 179.77 1n8r h VAL 44 N 0.86 1.15 -0.79 0.00 2.07 -0.90 -1.25 116.25 117.38 1n8r h VAL 44 Ca 0.23 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1n8r h VAL 44 Cb -0.10 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1n8r h VAL 44 CO -0.05 0.13 0.49 0.44 0.02 0.00 0.00 177.57 178.60 1n8r h ASP 45 N 0.00 0.77 0.00 0.57 3.32 -1.11 -1.61 116.42 118.36 1n8r h ASP 45 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1n8r h ASP 45 Cb 0.17 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1n8r h ASP 45 CO -0.00 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 1n8r n TYR 46 N -4.65 0.00 -0.37 4.55 9.36 -0.26 -1.65 117.16 124.14 1n8r n TYR 46 Ca 0.11 0.00 0.30 0.00 3.32 0.00 0.00 57.90 61.62 1n8r n TYR 46 Cb 0.15 -0.49 0.56 0.00 -0.63 0.00 0.00 39.34 38.92 1n8r n TYR 46 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1n8r h LEU 47 N 0.00 0.39 -0.79 2.98 3.38 -1.14 1.03 115.31 121.16 1n8r h LEU 47 Ca 0.00 0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1n8r h LEU 47 Cb 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1n8r h LEU 47 CO 0.00 -0.19 -0.22 -0.33 0.09 0.00 0.00 178.44 177.79 1n8r h GLU 48 N 0.19 0.66 -0.30 1.13 5.08 -1.04 0.49 114.58 120.79 1n8r h GLU 48 Ca 0.77 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.77 1n8r h GLU 48 Cb 2.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 1n8r h GLU 48 CO -0.55 0.83 -0.25 0.00 -1.00 0.00 0.00 179.01 178.04 1n8r h ALA 49 N 1.17 1.00 0.76 3.43 0.00 0.20 0.10 119.26 125.92 1n8r h ALA 49 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1n8r h ALA 49 Cb 0.70 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1n8r h ALA 49 CO 0.05 0.59 -0.37 0.28 0.00 0.00 0.00 179.25 179.81 1n8r h VAL 50 N 0.52 0.23 -0.86 0.00 2.07 -0.35 0.40 116.25 118.26 1n8r h VAL 50 Ca 0.07 -0.05 0.19 0.00 0.82 0.00 0.00 66.70 67.73 1n8r h VAL 50 Cb 0.71 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1n8r h VAL 50 CO 0.05 0.01 0.57 0.40 0.02 0.00 0.00 177.57 178.62 1n8r h ILE 51 N -1.06 0.71 0.00 4.57 2.04 -0.65 0.63 117.51 123.75 1n8r h ILE 51 Ca -0.10 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 1n8r h ILE 51 Cb 0.79 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1n8r h ILE 51 CO 0.17 0.07 -0.55 -0.08 0.00 0.00 0.00 178.15 177.77 1n8r h GLU 52 N 0.41 0.00 0.00 2.37 4.57 -0.27 -3.48 114.58 118.18 1n8r h GLU 52 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1n8r h GLU 52 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1n8r h GLU 52 CO -0.16 0.55 0.00 0.41 -1.18 0.00 0.00 179.01 178.63 1n8r n GLY 53 N 0.60 0.83 0.00 1.92 0.00 0.22 -4.95 105.19 103.82 1n8r n GLY 53 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1n8r n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 54 N 0.44 0.68 -3.91 1.61 8.00 0.11 -4.88 116.55 118.61 1n8r n ASP 54 Ca 0.00 -0.67 -0.25 0.00 0.71 0.00 0.00 54.79 54.58 1n8r n ASP 54 Cb 0.00 1.33 -0.17 0.00 -0.02 0.00 0.00 41.12 42.26 1n8r n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1n8r s GLN 55 N -3.15 1.35 0.40 -1.24 2.00 -1.05 -4.95 119.66 113.01 1n8r s GLN 55 Ca 0.03 -0.22 -0.05 0.00 -2.00 0.00 0.00 55.36 53.12 1n8r s GLN 55 Cb 0.15 -1.36 -0.04 0.00 0.80 0.00 0.00 33.01 32.55 1n8r s GLN 55 CO 0.87 -0.18 0.69 -1.25 -0.50 0.00 0.00 175.29 174.92 1n8r s PRO 56 N 1.41 3.60 -0.28 1.67 0.04 -1.26 -3.90 135.00 136.27 1n8r s PRO 56 Ca -0.01 0.12 -0.09 0.00 0.04 0.00 0.00 61.00 61.06 1n8r s PRO 56 Cb -0.13 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 1n8r s PRO 56 CO -0.04 -0.02 0.12 0.08 0.04 0.00 0.00 177.00 177.18 1n8r s VAL 57 N -2.46 4.52 0.07 -0.36 1.01 0.20 -4.89 120.40 118.49 1n8r s VAL 57 Ca 0.46 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1n8r s VAL 57 Cb -0.10 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1n8r s VAL 57 CO 0.38 0.19 1.73 -2.84 0.00 0.00 0.00 175.10 174.56 1n8r s PRO 58 N 1.62 4.17 -0.44 2.72 0.02 -1.26 -1.94 135.00 139.89 1n8r s PRO 58 Ca 0.05 2.43 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 1n8r s PRO 58 Cb -0.16 -3.67 0.04 0.00 0.02 0.00 0.00 34.50 30.72 1n8r s PRO 58 CO 0.05 -0.79 0.40 -0.06 -0.33 0.00 0.00 177.00 176.27 1n8r s PHE 59 N 2.93 3.20 -0.11 6.54 2.99 -0.63 -4.84 117.98 128.06 1n8r s PHE 59 Ca 0.77 -0.64 0.16 0.00 0.00 0.00 0.00 56.93 57.23 1n8r s PHE 59 Cb -0.41 -2.95 -0.23 0.00 0.00 0.00 0.00 43.02 39.43 1n8r s PHE 59 CO 0.34 -0.73 0.18 1.63 -0.00 0.00 0.00 175.22 176.65 1n8r n LYS 60 N 5.39 1.02 -0.08 0.44 5.02 -1.26 -4.54 118.16 124.15 1n8r n LYS 60 Ca -0.10 -0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1n8r n LYS 60 Cb 0.46 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 1n8r n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1n8r n GLN 61 N -2.41 0.38 -3.22 1.97 7.27 -1.26 -4.76 117.38 115.34 1n8r n GLN 61 Ca -0.18 0.12 -0.43 0.00 0.07 0.00 0.00 57.00 56.59 1n8r n GLN 61 Cb 0.81 -1.21 -0.00 0.00 2.41 0.00 0.00 30.24 32.24 1n8r n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1n8r n HIS 62 N -3.36 3.80 -0.02 3.69 8.25 -1.26 -4.73 115.22 121.59 1n8r n HIS 62 Ca -0.31 -3.36 0.00 0.00 -0.26 0.00 0.00 57.72 53.79 1n8r n HIS 62 Cb 0.77 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.47 1n8r n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1n8r n ASN 63 N 1.97 1.21 -4.64 0.41 6.94 -1.26 -4.92 115.26 114.96 1n8r n ASN 63 Ca 0.25 -1.23 -0.50 0.00 -0.02 0.00 0.00 54.58 53.08 1n8r n ASN 63 Cb 0.36 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.73 1n8r n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1n8r n SER 64 N -0.12 2.51 0.00 0.53 3.41 -1.26 -0.66 113.62 118.03 1n8r n SER 64 Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1n8r n SER 64 Cb 0.06 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 1n8r n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n8r n GLY 65 N 3.27 0.48 3.76 5.00 0.00 -1.26 -4.98 105.19 111.46 1n8r n GLY 65 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1n8r n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 66 N -2.36 4.18 0.26 1.61 1.01 0.16 -5.03 120.40 120.24 1n8r s VAL 66 Ca 0.00 1.99 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 1n8r s VAL 66 Cb 0.00 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1n8r s VAL 66 CO 0.00 0.49 0.68 -0.83 0.00 0.00 0.00 175.10 175.45 1n8r s GLY 67 N -1.09 2.42 0.56 4.51 0.00 -1.26 -4.83 107.32 107.63 1n8r s GLY 67 Ca 0.40 0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.92 1n8r s GLY 67 CO 0.30 0.26 1.32 0.30 0.00 0.00 0.00 173.10 175.28 1n8r s HIS 68 N -1.77 2.31 -0.11 1.90 0.09 -1.26 -3.52 115.29 112.93 1n8r s HIS 68 Ca 0.48 1.42 0.01 0.00 -0.00 0.00 0.00 55.06 56.97 1n8r s HIS 68 Cb -0.13 -3.72 0.02 0.00 -0.00 0.00 0.00 32.58 28.75 1n8r s HIS 68 CO 0.19 -2.72 -0.13 0.15 -0.00 0.00 0.00 174.74 172.23 1n8r s LYS 69 N -3.00 2.00 0.30 1.40 -0.14 0.16 -4.88 119.74 115.58 1n8r s LYS 69 Ca 0.73 -0.47 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 1n8r s LYS 69 Cb -0.38 -1.77 0.58 0.00 -1.68 0.00 0.00 37.83 34.59 1n8r s LYS 69 CO 0.44 -0.11 1.85 0.66 -0.76 0.00 0.00 175.35 177.44 1n8r h SER 70 N 7.55 0.89 0.62 2.83 4.64 -1.96 -2.25 113.55 125.87 1n8r h SER 70 Ca -0.32 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1n8r h SER 70 Cb 1.16 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1n8r h SER 70 CO 0.48 0.49 0.00 0.29 -0.87 0.00 0.00 176.83 177.22 1n8r n LYS 71 N -4.58 0.17 -2.35 4.77 5.02 -1.26 -4.68 118.16 115.25 1n8r n LYS 71 Ca 0.18 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.49 1n8r n LYS 71 Cb 0.34 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 1n8r n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n8r s VAL 72 N -3.32 3.79 -0.10 -0.18 1.01 -0.85 -4.97 120.40 115.77 1n8r s VAL 72 Ca 0.03 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1n8r s VAL 72 Cb 0.09 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1n8r s VAL 72 CO 0.36 0.11 -0.07 -0.62 0.00 0.00 0.00 175.10 174.87 1n8r s ASP 73 N 0.97 4.55 0.00 3.32 2.15 -1.26 -4.41 116.67 121.98 1n8r s ASP 73 Ca 0.60 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.46 1n8r s ASP 73 Cb -0.32 -1.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1n8r s ASP 73 CO 0.30 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 176.18 1n8r n GLY 74 N 2.86 0.81 3.13 2.66 0.00 -1.26 -4.93 105.19 108.45 1n8r n GLY 74 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1n8r n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1n8r n TRP 75 N -2.03 -1.57 0.03 1.61 -0.00 -1.26 -5.14 117.44 109.09 1n8r n TRP 75 Ca 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 57.50 55.48 1n8r n TRP 75 Cb 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 1n8r n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1n8r n ASP 76 N -1.62 0.49 -4.75 5.87 5.68 -1.26 -4.75 116.55 116.20 1n8r n ASP 76 Ca -0.01 0.10 -0.40 0.00 -0.50 0.00 0.00 54.79 53.97 1n8r n ASP 76 Cb 0.53 -0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 1n8r n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n8r s ALA 77 N -2.00 3.34 0.04 2.12 0.00 -1.26 -0.67 121.76 123.32 1n8r s ALA 77 Ca 0.00 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 1n8r s ALA 77 Cb 0.00 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 20.04 1n8r s ALA 77 CO 0.00 0.16 0.87 0.20 0.00 0.00 0.00 175.76 176.99 1n8r s GLY 78 N -0.85 -0.44 0.01 0.00 0.00 -1.23 -1.61 107.32 103.20 1n8r s GLY 78 Ca 0.41 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1n8r s GLY 78 CO 0.30 0.27 0.01 0.54 0.00 0.00 0.00 173.10 174.22 1n8r n ARG 79 N -0.29 0.02 -3.28 2.90 1.74 -0.82 -4.75 116.66 112.18 1n8r n ARG 79 Ca -0.09 -0.12 -0.26 0.00 -0.77 0.00 0.00 57.85 56.61 1n8r n ARG 79 Cb 0.62 0.10 -0.07 0.00 -1.02 0.00 0.00 32.46 32.09 1n8r n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n8r n TYR 80 N -0.02 2.97 -1.55 -1.55 4.02 -1.26 0.59 117.16 120.35 1n8r n TYR 80 Ca 0.00 -4.02 -0.13 0.00 -0.01 0.00 0.00 57.90 53.74 1n8r n TYR 80 Cb 0.02 -0.51 -0.09 0.00 -0.02 0.00 0.00 39.34 38.74 1n8r n TYR 80 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1n8r n PRO 81 N 0.68 0.36 -0.09 -0.72 -0.02 -1.26 -4.80 135.00 129.15 1n8r n PRO 81 Ca 0.29 -1.12 -0.10 0.00 -2.02 0.00 0.00 63.50 60.54 1n8r n PRO 81 Cb 0.44 -3.65 0.03 0.00 -0.02 0.00 0.00 33.50 30.30 1n8r n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1n8r h GLU 82 N 12.20 0.83 0.15 -0.52 4.11 -1.93 -2.16 114.58 127.26 1n8r h GLU 82 Ca 0.00 -0.40 -0.01 0.00 0.07 0.00 0.00 59.36 59.02 1n8r h GLU 82 Cb 1.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1n8r h GLU 82 CO 1.02 1.04 -0.07 -0.22 0.07 0.00 0.00 179.01 180.85 1n8r h LYS 83 N 0.69 -0.20 -0.54 1.06 3.64 -2.00 -0.82 116.57 118.40 1n8r h LYS 83 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1n8r h LYS 83 Cb 0.90 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1n8r h LYS 83 CO 0.08 0.09 0.28 0.00 -2.27 0.00 0.00 179.45 177.63 1n8r h ALA 84 N 0.29 1.47 -0.34 5.00 0.00 -1.94 -1.25 119.26 122.49 1n8r h ALA 84 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1n8r h ALA 84 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1n8r h ALA 84 CO 0.03 0.43 -0.06 0.77 0.00 0.00 0.00 179.25 180.43 1n8r h SER 85 N 0.76 0.54 0.31 0.00 0.02 -1.19 -0.90 113.55 113.08 1n8r h SER 85 Ca 0.19 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1n8r h SER 85 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1n8r h SER 85 CO -0.03 0.65 -0.57 0.11 -1.14 0.00 0.00 176.83 175.85 1n8r h LYS 86 N 0.53 0.28 0.00 3.45 1.57 -0.03 -1.05 116.57 121.32 1n8r h LYS 86 Ca 0.10 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1n8r h LYS 86 Cb 0.43 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1n8r h LYS 86 CO 0.02 0.77 -0.60 0.00 -0.57 0.00 0.00 179.45 179.07 1n8r h ALA 87 N 1.19 0.91 -0.03 3.86 0.00 -0.80 -1.98 119.26 122.41 1n8r h ALA 87 Ca -0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 1n8r h ALA 87 Cb 1.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1n8r h ALA 87 CO 0.09 0.75 -0.94 0.74 0.00 0.00 0.00 179.25 179.89 1n8r h PHE 88 N 0.00 0.85 -0.79 0.00 -1.00 -0.85 -1.61 116.94 113.55 1n8r h PHE 88 Ca -0.01 -0.44 0.00 0.00 2.81 0.00 0.00 57.97 60.33 1n8r h PHE 88 Cb 1.13 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.54 1n8r h PHE 88 CO 0.00 1.27 0.51 -0.07 -1.61 0.00 0.00 178.31 178.41 1n8r h LEU 89 N 0.35 0.92 -0.27 1.54 3.38 -1.01 0.39 115.31 120.60 1n8r h LEU 89 Ca -0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1n8r h LEU 89 Cb 1.58 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1n8r h LEU 89 CO 0.18 0.68 0.10 0.44 0.09 0.00 0.00 178.44 179.93 1n8r h ASP 90 N 1.07 0.37 -0.35 -0.43 5.19 -1.20 0.31 116.42 121.38 1n8r h ASP 90 Ca 0.29 -0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.58 1n8r h ASP 90 Cb -0.10 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.26 1n8r h ASP 90 CO -0.06 0.44 0.04 0.25 -3.12 0.00 0.00 179.24 176.79 1n8r h LEU 91 N 0.28 -0.05 -1.15 1.55 5.85 -0.13 -2.08 115.31 119.58 1n8r h LEU 91 Ca 0.09 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1n8r h LEU 91 Cb 0.19 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1n8r h LEU 91 CO -0.01 0.01 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.01 1n8r h LEU 92 N 0.15 0.52 -0.71 2.25 3.38 0.07 -1.40 115.31 119.58 1n8r h LEU 92 Ca 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1n8r h LEU 92 Cb 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1n8r h LEU 92 CO -0.25 0.62 0.24 -0.08 0.09 0.00 0.00 178.44 179.06 1n8r h GLU 93 N 0.53 1.10 0.40 1.13 4.81 -0.45 0.37 114.58 122.46 1n8r h GLU 93 Ca 0.11 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1n8r h GLU 93 Cb 0.38 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1n8r h GLU 93 CO 0.02 0.93 -0.19 -0.97 -0.73 0.00 0.00 179.01 178.07 1n8r h ASN 94 N 1.04 -0.45 -0.31 1.04 -1.24 -1.14 -0.97 115.58 113.54 1n8r h ASN 94 Ca 0.23 -0.13 0.07 0.00 0.71 0.00 0.00 56.30 57.19 1n8r h ASN 94 Cb 0.28 0.12 -0.08 0.00 0.73 0.00 0.00 38.32 39.37 1n8r h ASN 94 CO -0.01 -0.06 -0.26 0.00 -1.29 0.00 0.00 177.43 175.81 1n8r h ALA 95 N -0.56 -0.10 -0.26 1.57 0.00 -1.13 0.24 119.26 119.02 1n8r h ALA 95 Ca -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n8r h ALA 95 Cb 0.55 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1n8r h ALA 95 CO 0.09 -0.66 0.09 0.28 0.00 0.00 0.00 179.25 179.04 1n8r h VAL 96 N -0.23 1.12 -0.21 0.00 2.07 -0.96 0.22 116.25 118.25 1n8r h VAL 96 Ca 0.16 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1n8r h VAL 96 Cb 0.48 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1n8r h VAL 96 CO -0.45 0.14 -0.33 1.23 0.02 0.00 0.00 177.57 178.18 1n8r h GLY 97 N 0.55 0.66 1.10 2.17 0.00 0.28 -1.58 103.07 106.24 1n8r h GLY 97 Ca 0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1n8r h GLY 97 CO -0.01 0.67 0.32 3.43 0.00 0.00 0.00 176.54 180.95 1n8r h ASN 98 N 0.29 1.06 -0.76 0.19 -0.26 0.10 -1.21 115.58 114.98 1n8r h ASN 98 Ca 0.02 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.58 1n8r h ASN 98 Cb 0.92 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.87 1n8r h ASN 98 CO 0.08 0.93 0.36 0.00 -1.06 0.00 0.00 177.43 177.74 1n8r h ALA 99 N 1.22 0.99 -0.29 -0.83 0.00 -0.48 -2.80 119.26 117.06 1n8r h ALA 99 Ca 0.26 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1n8r h ALA 99 Cb 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1n8r h ALA 99 CO -0.02 0.55 -0.28 -0.44 0.00 0.00 0.00 179.25 179.06 1n8r h ASP 100 N 1.08 0.76 0.12 0.00 3.32 -0.81 -1.55 116.42 119.34 1n8r h ASP 100 Ca 0.26 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1n8r h ASP 100 Cb 0.12 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1n8r h ASP 100 CO -0.03 1.07 0.00 1.57 -1.72 0.00 0.00 179.24 180.13 1n8r n HIS 101 N -4.26 0.00 0.74 4.55 -0.00 -0.50 -0.60 115.22 115.15 1n8r n HIS 101 Ca -0.04 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.23 1n8r n HIS 101 Cb 0.47 -0.48 0.04 0.00 -0.12 0.00 0.00 29.99 29.89 1n8r n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1n8r n GLN 102 N -1.48 1.55 -0.01 1.57 6.02 -0.86 -4.97 117.38 119.18 1n8r n GLN 102 Ca 0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1n8r n GLN 102 Cb 0.04 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1n8r n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n8r n GLY 103 N 1.08 0.25 3.92 1.08 0.00 0.23 -5.08 105.19 106.68 1n8r n GLY 103 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1n8r n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n8r s PHE 104 N -2.06 2.22 -0.84 1.61 0.40 -0.64 -4.99 117.98 113.70 1n8r s PHE 104 Ca 0.00 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1n8r s PHE 104 Cb 0.00 -3.78 0.22 0.00 0.51 0.00 0.00 43.02 39.97 1n8r s PHE 104 CO 0.00 -2.19 0.76 0.34 0.70 0.00 0.00 175.22 174.83 1n8r s ASP 105 N -4.74 6.57 0.07 1.36 2.15 -1.26 -4.19 116.67 116.63 1n8r s ASP 105 Ca 0.68 -2.88 -0.14 0.00 0.43 0.00 0.00 52.55 50.64 1n8r s ASP 105 Cb -0.07 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1n8r s ASP 105 CO 0.51 -0.49 1.24 0.61 -0.17 0.00 0.00 175.17 176.87 1n8r n GLY 106 N 3.66 -2.88 0.27 2.66 0.00 -1.26 -2.26 105.19 105.39 1n8r n GLY 106 Ca 0.15 0.86 0.06 0.00 0.00 0.00 0.00 46.02 47.09 1n8r n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n8r h GLU 107 N 0.00 0.20 0.00 1.61 5.08 -1.93 0.72 114.58 120.26 1n8r h GLU 107 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1n8r h GLU 107 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1n8r h GLU 107 CO -0.43 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 177.71 1n8r n ALA 108 N -2.75 1.96 -1.78 3.43 0.00 -0.96 -1.58 120.51 118.83 1n8r n ALA 108 Ca 0.15 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 1n8r n ALA 108 Cb 0.48 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1n8r n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1n8r s MET 109 N -2.52 4.02 0.14 0.00 -1.94 0.24 -4.64 119.30 114.61 1n8r s MET 109 Ca 0.17 1.66 -0.22 0.00 -1.71 0.00 0.00 55.69 55.59 1n8r s MET 109 Cb 0.12 -2.53 -0.08 0.00 2.01 0.00 0.00 34.83 34.35 1n8r s MET 109 CO 0.26 -0.30 0.69 0.99 -0.01 0.00 0.00 175.02 176.65 1n8r s THR 110 N -1.57 4.54 -1.01 2.05 2.01 -0.01 -0.65 115.64 121.00 1n8r s THR 110 Ca 0.59 1.46 -0.23 0.00 0.31 0.00 0.00 61.69 63.82 1n8r s THR 110 Cb -0.26 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.27 1n8r s THR 110 CO 0.32 0.49 1.54 -0.63 -0.69 0.00 0.00 174.62 175.65 1n8r s ILE 111 N -1.18 3.84 0.10 1.82 1.01 0.02 -1.31 121.20 125.49 1n8r s ILE 111 Ca 0.34 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 1n8r s ILE 111 Cb -0.21 -4.89 -0.06 0.00 0.01 0.00 0.00 42.46 37.31 1n8r s ILE 111 CO 0.23 -1.77 1.56 0.50 0.00 0.00 0.00 174.94 175.45 1n8r h LYS 112 N 10.01 0.48 -3.50 2.79 3.64 -1.62 -0.57 116.57 127.81 1n8r h LYS 112 Ca 0.19 -0.14 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1n8r h LYS 112 Cb 1.01 -0.05 -0.28 0.00 -0.41 0.00 0.00 32.23 32.50 1n8r h LYS 112 CO 1.39 0.61 -0.62 -1.58 -2.27 0.00 0.00 179.45 176.98 1n8r s HIS 113 N -5.11 -0.10 -0.26 1.91 5.04 -1.11 -4.81 115.29 110.85 1n8r s HIS 113 Ca -0.13 0.25 -0.05 0.00 -1.54 0.00 0.00 55.06 53.59 1n8r s HIS 113 Cb 0.08 0.01 0.14 0.00 0.04 0.00 0.00 32.58 32.85 1n8r s HIS 113 CO 0.75 -0.06 0.51 0.54 -2.34 0.00 0.00 174.74 174.14 1n8r s VAL 114 N 0.20 -0.81 -0.10 0.89 0.11 -1.26 -0.26 120.40 119.16 1n8r s VAL 114 Ca -0.01 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1n8r s VAL 114 Cb -0.02 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1n8r s VAL 114 CO -0.01 -0.01 0.27 0.00 -3.33 0.00 0.00 175.10 172.02 1n8r s ALA 115 N 2.73 -0.67 0.05 1.54 0.00 -1.08 -4.66 121.76 119.67 1n8r s ALA 115 Ca 0.07 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 1n8r s ALA 115 Cb -0.14 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1n8r s ALA 115 CO -0.17 -0.14 0.29 0.00 0.00 0.00 0.00 175.76 175.74 1n8r s ALA 116 N 0.28 3.86 -0.02 0.00 0.00 -1.26 -2.15 121.76 122.46 1n8r s ALA 116 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1n8r s ALA 116 Cb -0.03 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.06 1n8r s ALA 116 CO -0.01 0.68 -0.01 -1.01 0.00 0.00 0.00 175.76 175.41 1n8r s HIS 117 N -1.43 0.34 -0.68 0.00 3.76 0.22 -4.95 115.29 112.56 1n8r s HIS 117 Ca 0.32 -0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 54.99 1n8r s HIS 117 Cb -0.13 -0.36 0.09 0.00 1.11 0.00 0.00 32.58 33.29 1n8r s HIS 117 CO 0.20 -0.09 0.92 0.21 -0.85 0.00 0.00 174.74 175.13 1n8r s LYS 118 N 0.65 3.15 0.00 1.40 2.20 -1.26 -1.10 119.74 124.78 1n8r s LYS 118 Ca -0.07 -1.09 0.27 0.00 -0.36 0.00 0.00 55.97 54.73 1n8r s LYS 118 Cb -0.10 -4.32 1.20 0.00 -1.51 0.00 0.00 37.83 33.10 1n8r s LYS 118 CO -0.01 -1.74 1.87 0.28 -0.36 0.00 0.00 175.35 175.40 1n8r n VAL 119 N 5.76 0.16 -0.20 4.02 0.31 -0.77 -5.00 118.33 122.60 1n8r n VAL 119 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1n8r n VAL 119 Cb 0.45 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1n8r n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n8r n GLY 120 N 1.18 -2.75 2.97 2.92 0.00 -1.20 -4.98 105.19 103.34 1n8r n GLY 120 Ca 0.08 -1.30 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 1n8r n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8r s GLU 121 N -1.99 0.64 -0.43 1.61 2.02 -1.26 -0.64 118.70 118.66 1n8r s GLU 121 Ca 0.00 -0.22 -0.25 0.00 0.02 0.00 0.00 54.97 54.52 1n8r s GLU 121 Cb 0.00 -0.63 0.02 0.00 0.10 0.00 0.00 34.13 33.62 1n8r s GLU 121 CO 0.00 0.10 0.91 -1.14 0.02 0.00 0.00 175.26 175.15 1n8r s GLN 122 N 0.09 3.63 0.41 1.61 0.74 0.17 -4.87 119.66 121.44 1n8r s GLN 122 Ca -0.01 0.28 -0.24 0.00 0.05 0.00 0.00 55.36 55.44 1n8r s GLN 122 Cb -0.06 -3.88 -0.09 0.00 1.10 0.00 0.00 33.01 30.08 1n8r s GLN 122 CO -0.00 -1.11 1.07 -0.65 -0.55 0.00 0.00 175.29 174.05 1n8r s GLN 123 N 3.61 4.08 0.05 1.67 -0.21 -1.26 -1.10 119.66 126.50 1n8r s GLN 123 Ca 0.37 1.56 -0.09 0.00 0.02 0.00 0.00 55.36 57.22 1n8r s GLN 123 Cb -0.11 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.39 1n8r s GLN 123 CO 0.23 -0.22 0.20 0.20 -2.12 0.00 0.00 175.29 173.58 1n8r s GLY 124 N -1.52 0.04 -0.06 3.09 0.00 -0.95 -4.92 107.32 103.00 1n8r s GLY 124 Ca 0.59 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.98 1n8r s GLY 124 CO 0.29 -0.55 -0.18 -1.60 0.00 0.00 0.00 173.10 171.06 1n8r s ARG 125 N -2.96 2.14 -0.20 2.90 6.06 -1.26 -0.07 118.95 125.57 1n8r s ARG 125 Ca -0.02 -0.65 -0.03 0.00 -2.50 0.00 0.00 55.73 52.53 1n8r s ARG 125 Cb 0.01 -1.75 -0.01 0.00 0.06 0.00 0.00 34.95 33.26 1n8r s ARG 125 CO -0.06 0.18 -0.07 0.21 -2.50 0.00 0.00 175.30 173.06 1n8r s LYS 126 N 0.27 3.36 0.26 5.12 2.47 -0.03 -4.84 119.74 126.34 1n8r s LYS 126 Ca -0.11 -0.65 -0.30 0.00 -1.56 0.00 0.00 55.97 53.36 1n8r s LYS 126 Cb -0.15 -2.90 -0.09 0.00 -1.46 0.00 0.00 37.83 33.23 1n8r s LYS 126 CO 0.04 -0.10 1.29 -2.14 0.16 0.00 0.00 175.35 174.60 1n8r s PRO 127 N 1.21 4.40 0.45 4.03 0.02 -1.26 -1.85 135.00 141.99 1n8r s PRO 127 Ca 0.02 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.17 1n8r s PRO 127 Cb -0.14 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1n8r s PRO 127 CO -0.02 -0.19 0.07 1.03 -0.33 0.00 0.00 177.00 177.56 1n8r s ARG 128 N -0.84 2.04 0.68 5.54 1.81 0.13 -4.94 118.95 123.37 1n8r s ARG 128 Ca 0.53 -2.27 -0.12 0.00 -1.72 0.00 0.00 55.73 52.15 1n8r s ARG 128 Cb -0.37 -1.03 0.00 0.00 -0.45 0.00 0.00 34.95 33.10 1n8r s ARG 128 CO 0.44 -0.42 1.07 0.00 -0.68 0.00 0.00 175.30 175.71 1n8r s ALA 129 N -3.06 2.61 -0.67 2.13 0.00 -1.26 -3.64 121.76 117.88 1n8r s ALA 129 Ca 0.16 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1n8r s ALA 129 Cb 0.02 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1n8r s ALA 129 CO 0.10 -1.21 0.00 -1.33 0.00 0.00 0.00 175.76 173.32 1n8r n MET 130 N -2.86 -0.52 -1.10 0.00 2.81 -1.26 -3.43 117.12 110.77 1n8r n MET 130 Ca 0.08 0.55 -0.04 0.00 -1.81 0.00 0.00 57.70 56.49 1n8r n MET 130 Cb 0.53 -4.39 -0.02 0.00 -0.71 0.00 0.00 33.22 28.64 1n8r n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n8r n GLY 131 N -1.60 0.65 3.43 3.03 0.00 -1.25 -5.03 105.19 104.42 1n8r n GLY 131 Ca -0.08 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1n8r n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n8r s ARG 132 N -1.83 1.56 0.28 1.61 3.52 -1.22 -5.00 118.95 117.86 1n8r s ARG 132 Ca 0.00 -1.35 0.11 0.00 -0.13 0.00 0.00 55.73 54.36 1n8r s ARG 132 Cb 0.00 -1.95 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1n8r s ARG 132 CO 0.00 0.44 -0.12 0.00 -0.81 0.00 0.00 175.30 174.81 1n8r s ALA 133 N -1.26 2.92 0.07 6.12 0.00 -1.26 0.21 121.76 128.55 1n8r s ALA 133 Ca 0.17 -1.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.26 1n8r s ALA 133 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1n8r s ALA 133 CO 0.08 0.26 0.10 -1.54 0.00 0.00 0.00 175.76 174.66 1n8r s SER 134 N -3.58 0.27 0.90 0.00 1.04 -0.77 -4.92 113.70 106.63 1n8r s SER 134 Ca 0.31 -0.79 -0.13 0.00 0.48 0.00 0.00 55.95 55.81 1n8r s SER 134 Cb -0.05 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1n8r s SER 134 CO 0.17 -0.68 0.44 0.00 0.98 0.00 0.00 173.24 174.15 1n8r n ALA 135 N 0.01 -2.35 -2.74 5.32 0.00 -1.26 -0.85 120.51 118.63 1n8r n ALA 135 Ca -0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.73 1n8r n ALA 135 Cb 0.62 -1.81 0.02 0.00 0.00 0.00 0.00 19.45 18.27 1n8r n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1n8r n TRP 136 N -3.32 -3.26 -3.98 0.00 -0.00 0.90 -4.40 117.44 103.39 1n8r n TRP 136 Ca 0.07 -1.27 -0.22 0.00 -0.00 0.00 0.00 57.50 56.09 1n8r n TRP 136 Cb 0.53 1.43 -0.04 0.00 -0.00 0.00 0.00 31.31 33.22 1n8r n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1n8r s ASN 137 N 0.65 5.31 -0.14 5.87 0.01 -1.26 -2.23 114.94 123.15 1n8r s ASN 137 Ca 0.29 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1n8r s ASN 137 Cb 0.04 -1.13 0.01 0.00 0.41 0.00 0.00 41.25 40.58 1n8r s ASN 137 CO -0.08 -0.20 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.66 1n8r s SER 138 N -3.91 3.18 0.71 -1.22 0.01 -0.26 -4.94 113.70 107.27 1n8r s SER 138 Ca 0.37 -0.59 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 1n8r s SER 138 Cb -0.06 -1.46 0.03 0.00 0.21 0.00 0.00 66.02 64.73 1n8r s SER 138 CO 0.25 0.08 1.15 -2.84 0.41 0.00 0.00 173.24 172.29 1n8r s PRO 139 N 0.84 2.42 -0.14 12.44 0.02 -1.26 0.42 135.00 149.74 1n8r s PRO 139 Ca -0.06 1.54 -0.00 0.00 0.02 0.00 0.00 61.00 62.50 1n8r s PRO 139 Cb -0.15 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.51 1n8r s PRO 139 CO -0.02 -1.57 -0.09 -0.65 -0.33 0.00 0.00 177.00 174.34 1n8r s GLN 140 N -4.08 1.69 -0.01 5.54 -0.21 0.19 -3.41 119.66 119.38 1n8r s GLN 140 Ca 0.70 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 55.70 1n8r s GLN 140 Cb -0.24 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 1n8r s GLN 140 CO 0.44 -0.31 -0.10 0.08 -2.12 0.00 0.00 175.29 173.28 1n8r s VAL 141 N 1.63 3.38 0.15 1.09 1.01 0.52 -1.85 120.40 126.32 1n8r s VAL 141 Ca 0.04 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1n8r s VAL 141 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1n8r s VAL 141 CO -0.09 0.44 -0.11 -1.81 0.00 0.00 0.00 175.10 173.53 1n8r s ASP 142 N -1.23 4.23 -0.25 3.32 1.11 -0.26 0.32 116.67 123.91 1n8r s ASP 142 Ca 0.15 -0.52 -0.10 0.00 0.18 0.00 0.00 52.55 52.26 1n8r s ASP 142 Cb -0.11 -0.72 0.10 0.00 1.07 0.00 0.00 42.92 43.26 1n8r s ASP 142 CO 0.05 0.14 0.56 0.54 1.18 0.00 0.00 175.17 177.64 1n8r s VAL 143 N -1.48 -0.65 0.28 -1.27 0.11 -0.87 -0.61 120.40 115.92 1n8r s VAL 143 Ca 0.23 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1n8r s VAL 143 Cb -0.10 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1n8r s VAL 143 CO 0.14 0.02 0.56 -1.83 -3.33 0.00 0.00 175.10 170.66 1n8r s GLU 144 N 2.48 3.66 -0.14 1.54 -1.05 -0.92 -1.69 118.70 122.58 1n8r s GLU 144 Ca -0.06 0.06 -0.07 0.00 -0.15 0.00 0.00 54.97 54.75 1n8r s GLU 144 Cb -0.11 -2.64 0.06 0.00 -0.44 0.00 0.00 34.13 31.00 1n8r s GLU 144 CO -0.17 0.22 0.33 -1.17 0.95 0.00 0.00 175.26 175.42 1n8r s LEU 145 N -3.45 0.08 -0.20 1.83 2.96 -0.24 -2.64 118.68 117.02 1n8r s LEU 145 Ca 0.45 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 1n8r s LEU 145 Cb -0.11 1.03 0.04 0.00 0.50 0.00 0.00 46.19 47.66 1n8r s LEU 145 CO 0.29 -0.19 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.38 1n8r s ILE 146 N 1.49 1.80 0.02 6.68 1.01 0.63 -1.25 121.20 131.58 1n8r s ILE 146 Ca -0.08 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.34 1n8r s ILE 146 Cb -0.10 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 1n8r s ILE 146 CO -0.11 0.21 0.41 -0.76 0.00 0.00 0.00 174.94 174.70 1n8r s LEU 147 N 1.33 4.46 0.01 2.97 1.43 0.84 -1.57 118.68 128.16 1n8r s LEU 147 Ca -0.01 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1n8r s LEU 147 Cb -0.16 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1n8r s LEU 147 CO -0.09 0.30 -0.05 -0.70 0.23 0.00 0.00 176.35 176.04 1n8r s GLU 148 N -1.20 0.42 0.30 1.70 2.12 -0.43 0.53 118.70 122.14 1n8r s GLU 148 Ca 0.25 -0.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 1n8r s GLU 148 Cb -0.16 -0.33 -0.10 0.00 0.26 0.00 0.00 34.13 33.80 1n8r s GLU 148 CO 0.14 0.08 1.39 -1.21 -0.54 0.00 0.00 175.26 175.12 1n8r s GLU 149 N -0.56 4.28 0.00 4.30 2.02 -1.10 -0.83 118.70 126.82 1n8r s GLU 149 Ca -0.02 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.27 1n8r s GLU 149 Cb -0.04 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1n8r s GLU 149 CO -0.00 -0.34 0.37 -2.30 0.02 0.00 0.00 175.26 173.01