#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r h VAL 2 N 0.00 0.76 -0.44 -1.45 -1.51 -2.00 -3.14 116.25 108.47 1n8r h VAL 2 Ca 0.00 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 1n8r h VAL 2 Cb 0.00 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1n8r h VAL 2 CO 0.00 0.43 0.00 0.00 -1.23 0.00 0.00 177.57 176.77 1n8r n TYR 3 N -3.17 0.57 -3.70 5.19 0.18 -1.26 -4.83 117.16 110.15 1n8r n TYR 3 Ca 0.01 -0.31 -0.39 0.00 1.88 0.00 0.00 57.90 59.09 1n8r n TYR 3 Cb 0.74 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.57 1n8r n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1n8r s VAL 4 N -1.32 4.17 -1.43 -3.48 1.01 -1.19 -4.87 120.40 113.30 1n8r s VAL 4 Ca 0.38 -0.85 0.15 0.00 0.00 0.00 0.00 61.98 61.66 1n8r s VAL 4 Cb 0.22 -3.27 0.33 0.00 0.00 0.00 0.00 36.38 33.66 1n8r s VAL 4 CO 0.30 -0.10 1.24 0.47 0.00 0.00 0.00 175.10 177.01 1n8r n ASP 5 N 4.90 2.98 -3.63 3.32 8.00 -1.26 -4.74 116.55 126.12 1n8r n ASP 5 Ca -0.13 -1.90 -0.13 0.00 0.71 0.00 0.00 54.79 53.35 1n8r n ASP 5 Cb 0.46 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 1n8r n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1n8r s PHE 6 N -1.07 -0.73 -0.10 1.24 -0.12 -1.26 -5.12 117.98 110.82 1n8r s PHE 6 Ca 0.28 1.76 -0.18 0.00 -0.05 0.00 0.00 56.93 58.74 1n8r s PHE 6 Cb 0.15 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1n8r s PHE 6 CO 0.21 -0.35 0.48 0.34 -0.05 0.00 0.00 175.22 175.84 1n8r s ASP 7 N 0.40 6.72 -0.33 1.98 2.15 -1.26 -4.96 116.67 121.37 1n8r s ASP 7 Ca 0.00 0.86 -0.16 0.00 0.43 0.00 0.00 52.55 53.68 1n8r s ASP 7 Cb -0.05 -2.29 -0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1n8r s ASP 7 CO -0.02 0.04 0.40 -0.69 -0.17 0.00 0.00 175.17 174.74 1n8r s VAL 8 N 0.38 5.13 0.37 1.11 1.01 -1.26 -5.05 120.40 122.09 1n8r s VAL 8 Ca 0.26 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1n8r s VAL 8 Cb -0.16 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 1n8r s VAL 8 CO 0.11 -0.09 1.10 -2.65 0.00 0.00 0.00 175.10 173.57 1n8r n PRO 9 N 5.46 1.58 -0.30 2.72 -0.02 -1.26 -4.72 135.00 138.46 1n8r n PRO 9 Ca -0.08 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 1n8r n PRO 9 Cb 0.49 -2.09 0.14 0.00 -0.02 0.00 0.00 33.50 32.02 1n8r n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n8r h ALA 10 N 1.93 0.67 -0.77 3.55 0.00 -2.00 0.55 119.26 123.19 1n8r h ALA 10 Ca -0.44 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1n8r h ALA 10 Cb 1.32 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 1n8r h ALA 10 CO 0.59 -0.42 0.31 -0.44 0.00 0.00 0.00 179.25 179.29 1n8r h ASP 11 N 0.02 1.06 -0.40 0.00 3.32 -2.00 -2.13 116.42 116.29 1n8r h ASP 11 Ca 0.43 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1n8r h ASP 11 Cb 0.71 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1n8r h ASP 11 CO -0.85 0.94 0.13 0.25 -1.72 0.00 0.00 179.24 177.99 1n8r h LEU 12 N 1.12 0.58 -0.85 1.55 6.46 -1.26 -2.51 115.31 120.40 1n8r h LEU 12 Ca 0.26 -0.20 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1n8r h LEU 12 Cb 0.21 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1n8r h LEU 12 CO -0.02 0.62 0.52 -0.08 -0.62 0.00 0.00 178.44 178.86 1n8r h GLU 13 N 0.50 0.90 -0.17 1.25 4.81 -1.09 -1.02 114.58 119.76 1n8r h GLU 13 Ca 0.13 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1n8r h GLU 13 Cb 0.25 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1n8r h GLU 13 CO -0.01 0.60 0.08 -0.44 -0.73 0.00 0.00 179.01 178.51 1n8r h ASP 14 N 0.93 0.12 -0.69 1.04 3.32 -0.99 -0.17 116.42 119.98 1n8r h ASP 14 Ca 0.38 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1n8r h ASP 14 Cb 0.22 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1n8r h ASP 14 CO -0.19 0.09 0.44 0.44 -1.72 0.00 0.00 179.24 178.30 1n8r h ASP 15 N 0.18 0.81 0.73 6.45 3.32 -1.01 0.05 116.42 126.95 1n8r h ASP 15 Ca 0.07 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1n8r h ASP 15 Cb 0.02 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1n8r h ASP 15 CO -0.05 0.60 -0.35 0.00 -1.72 0.00 0.00 179.24 177.72 1n8r h ALA 16 N 1.54 -0.98 -0.19 3.45 0.00 -0.55 -1.61 119.26 120.92 1n8r h ALA 16 Ca 0.25 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n8r h ALA 16 Cb -0.08 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1n8r h ALA 16 CO -0.05 -0.98 -0.02 -0.07 0.00 0.00 0.00 179.25 178.13 1n8r h LEU 17 N -1.11 -0.11 -0.61 0.00 3.38 -0.85 -1.15 115.31 114.85 1n8r h LEU 17 Ca -0.10 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1n8r h LEU 17 Cb 0.77 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 1n8r h LEU 17 CO 0.16 -0.03 -0.22 -0.33 0.09 0.00 0.00 178.44 178.11 1n8r h GLU 18 N 0.04 -0.07 -0.87 1.13 5.08 -0.96 0.40 114.58 119.33 1n8r h GLU 18 Ca 0.09 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1n8r h GLU 18 Cb 0.12 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1n8r h GLU 18 CO -0.17 -0.04 0.57 0.00 -1.00 0.00 0.00 179.01 178.36 1n8r h ALA 19 N 1.39 1.51 -0.66 3.43 0.00 -0.72 -2.36 119.26 121.85 1n8r h ALA 19 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1n8r h ALA 19 Cb 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1n8r h ALA 19 CO -0.66 0.38 0.39 1.25 0.00 0.00 0.00 179.25 180.61 1n8r h LEU 20 N 1.02 0.80 -0.53 0.00 5.85 0.98 0.32 115.31 123.75 1n8r h LEU 20 Ca 0.36 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1n8r h LEU 20 Cb 0.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1n8r h LEU 20 CO -0.12 0.64 0.20 -0.33 -0.34 0.00 0.00 178.44 178.49 1n8r h GLU 21 N 0.90 0.79 0.00 1.25 5.08 -0.69 -1.49 114.58 120.42 1n8r h GLU 21 Ca 0.23 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1n8r h GLU 21 Cb -0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1n8r h GLU 21 CO -0.04 0.70 -0.24 -0.39 -1.00 0.00 0.00 179.01 178.04 1n8r h VAL 22 N 0.71 0.59 -0.17 3.13 -1.51 -1.22 -2.94 116.25 114.85 1n8r h VAL 22 Ca 0.17 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.44 1n8r h VAL 22 Cb 0.21 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 1n8r h VAL 22 CO -0.01 0.24 -0.01 0.00 -1.23 0.00 0.00 177.57 176.56 1n8r h ALA 23 N 1.76 0.24 -0.67 5.19 0.00 -0.01 0.42 119.26 126.18 1n8r h ALA 23 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1n8r h ALA 23 Cb 0.77 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1n8r h ALA 23 CO 0.03 -0.04 0.36 0.07 0.00 0.00 0.00 179.25 179.68 1n8r h ARG 24 N 0.06 0.92 0.10 0.00 0.11 -1.18 0.57 114.38 114.95 1n8r h ARG 24 Ca 0.05 -0.10 -0.14 0.00 0.10 0.00 0.00 59.98 59.89 1n8r h ARG 24 Cb 0.41 -0.19 0.01 0.00 1.11 0.00 0.00 29.97 31.31 1n8r h ARG 24 CO 0.01 0.68 -0.62 -0.44 0.10 0.00 0.00 179.97 179.70 1n8r h ASP 25 N 0.93 0.32 0.29 0.08 3.32 -1.35 -3.40 116.42 116.61 1n8r h ASP 25 Ca 0.24 -0.96 -0.33 0.00 0.02 0.00 0.00 57.03 56.00 1n8r h ASP 25 Cb 0.02 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1n8r h ASP 25 CO -0.04 1.29 -1.91 0.41 -1.72 0.00 0.00 179.24 177.28 1n8r n THR 26 N -4.26 1.66 -0.55 0.35 -1.04 0.14 -5.00 114.28 105.58 1n8r n THR 26 Ca -0.14 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.14 1n8r n THR 26 Cb 0.73 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1n8r n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n8r n GLY 27 N 1.78 5.08 3.14 3.41 0.00 0.20 -4.60 105.19 114.20 1n8r n GLY 27 Ca -0.25 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 1n8r n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 28 N -2.03 1.23 0.02 4.61 0.00 -0.43 -4.51 121.76 120.66 1n8r s ALA 28 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1n8r s ALA 28 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1n8r s ALA 28 CO 0.00 0.26 -0.04 0.14 0.00 0.00 0.00 175.76 176.12 1n8r s VAL 29 N -0.69 0.16 -0.15 0.00 -7.23 -1.26 0.74 120.40 111.97 1n8r s VAL 29 Ca 0.03 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1n8r s VAL 29 Cb -0.07 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 1n8r s VAL 29 CO 0.01 -0.48 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.68 1n8r s LYS 30 N -1.46 3.47 -0.15 4.82 -0.14 0.23 -4.84 119.74 121.67 1n8r s LYS 30 Ca -0.15 -0.63 -0.04 0.00 -1.36 0.00 0.00 55.97 53.79 1n8r s LYS 30 Cb -0.10 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 1n8r s LYS 30 CO -0.01 0.17 -0.02 0.15 -0.76 0.00 0.00 175.35 174.88 1n8r s LYS 31 N 0.50 3.60 0.00 1.68 1.02 -1.26 -0.67 119.74 124.60 1n8r s LYS 31 Ca -0.07 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1n8r s LYS 31 Cb -0.15 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1n8r s LYS 31 CO 0.04 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 1n8r n GLY 32 N 3.30 2.49 0.29 -3.33 0.00 -0.57 -4.65 105.19 102.72 1n8r n GLY 32 Ca -0.17 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.47 1n8r n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n8r h THR 33 N 0.00 0.62 0.25 2.61 2.02 -1.92 0.12 112.91 116.61 1n8r h THR 33 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1n8r h THR 33 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1n8r h THR 33 CO 0.00 0.08 -0.13 -1.13 0.37 0.00 0.00 175.52 174.71 1n8r h ASN 34 N 0.44 -0.31 -0.78 4.18 -1.24 -1.91 0.25 115.58 116.20 1n8r h ASN 34 Ca 0.44 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.41 1n8r h ASN 34 Cb 0.71 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.81 1n8r h ASN 34 CO -0.43 -0.22 0.28 -0.33 -1.29 0.00 0.00 177.43 175.44 1n8r h GLU 35 N -0.35 1.19 0.05 6.67 5.08 -1.74 -2.59 114.58 122.89 1n8r h GLU 35 Ca -0.03 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1n8r h GLU 35 Cb 0.28 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1n8r h GLU 35 CO 0.05 0.98 -0.11 1.15 -1.00 0.00 0.00 179.01 180.08 1n8r h THR 36 N 1.14 0.75 -0.95 1.13 2.02 -0.36 -2.55 112.91 114.09 1n8r h THR 36 Ca 0.25 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.64 1n8r h THR 36 Cb 0.27 0.75 -0.11 0.00 -1.74 0.00 0.00 68.15 67.31 1n8r h THR 36 CO -0.01 0.00 0.52 0.74 0.37 0.00 0.00 175.52 177.13 1n8r h THR 37 N -0.21 0.61 0.00 3.16 2.02 -0.19 -0.32 112.91 117.98 1n8r h THR 37 Ca 0.02 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1n8r h THR 37 Cb 0.23 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1n8r h THR 37 CO -0.07 0.11 -0.40 0.11 0.37 0.00 0.00 175.52 175.64 1n8r h LYS 38 N 0.60 0.00 0.52 6.66 1.57 -1.09 -2.19 116.57 122.64 1n8r h LYS 38 Ca 0.57 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.32 1n8r h LYS 38 Cb 0.98 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.29 1n8r h LYS 38 CO -0.44 0.40 -0.25 0.77 -0.57 0.00 0.00 179.45 179.36 1n8r h SER 39 N 0.00 -0.59 -0.85 0.86 0.02 -0.77 0.33 113.55 112.56 1n8r h SER 39 Ca -0.00 -0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.08 1n8r h SER 39 Cb 0.80 0.15 -0.11 0.00 0.14 0.00 0.00 62.40 63.38 1n8r h SER 39 CO 0.05 -0.29 0.36 0.40 -1.14 0.00 0.00 176.83 176.21 1n8r h ILE 40 N -0.90 0.56 -0.29 3.27 2.04 -1.38 0.72 117.51 121.54 1n8r h ILE 40 Ca -0.07 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 1n8r h ILE 40 Cb 0.61 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1n8r h ILE 40 CO 0.12 0.08 -0.49 -0.33 0.00 0.00 0.00 178.15 177.53 1n8r h GLU 41 N 0.44 0.84 -0.01 2.37 5.08 -1.09 -2.75 114.58 119.47 1n8r h GLU 41 Ca 0.50 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1n8r h GLU 41 Cb 0.86 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1n8r h GLU 41 CO -0.47 1.15 -0.01 0.54 -1.00 0.00 0.00 179.01 179.23 1n8r n ARG 42 N -4.07 1.21 -0.69 2.33 1.74 0.12 -4.91 116.66 112.39 1n8r n ARG 42 Ca -0.04 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1n8r n ARG 42 Cb 0.59 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1n8r n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 43 N 1.08 0.67 0.00 -0.13 0.00 0.24 -4.86 105.19 102.19 1n8r n GLY 43 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1n8r n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n8r n SER 44 N 0.00 0.00 -4.77 1.61 3.41 -0.88 -4.79 113.62 108.19 1n8r n SER 44 Ca 0.00 -0.78 -0.39 0.00 -0.26 0.00 0.00 58.87 57.44 1n8r n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1n8r n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n8r s ALA 45 N -2.00 3.48 -0.14 7.33 0.00 -1.24 -4.28 121.76 124.91 1n8r s ALA 45 Ca 0.32 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1n8r s ALA 45 Cb 0.15 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 1n8r s ALA 45 CO 0.25 0.21 -0.13 0.39 0.00 0.00 0.00 175.76 176.47 1n8r n GLU 46 N 2.43 0.35 -3.71 0.00 1.02 -1.16 -4.84 120.64 114.73 1n8r n GLU 46 Ca -0.07 0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1n8r n GLU 46 Cb 0.51 -1.25 -0.14 0.00 -0.02 0.00 0.00 31.44 30.53 1n8r n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1n8r s LEU 47 N -5.93 0.30 -0.06 -4.62 2.96 -1.24 -3.70 118.68 106.39 1n8r s LEU 47 Ca -0.19 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1n8r s LEU 47 Cb 0.05 0.55 -0.02 0.00 0.50 0.00 0.00 46.19 47.27 1n8r s LEU 47 CO 0.32 -0.19 -0.15 0.68 -1.32 0.00 0.00 176.35 175.69 1n8r s VAL 48 N 1.59 2.97 -0.11 1.68 -7.23 -0.09 -0.54 120.40 118.67 1n8r s VAL 48 Ca -0.06 -0.75 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1n8r s VAL 48 Cb -0.11 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1n8r s VAL 48 CO -0.07 0.58 0.03 -0.36 -0.31 0.00 0.00 175.10 174.97 1n8r s PHE 49 N -0.57 3.24 -0.06 2.82 0.40 0.67 -0.59 117.98 123.90 1n8r s PHE 49 Ca 0.08 0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1n8r s PHE 49 Cb -0.11 -1.87 0.03 0.00 0.51 0.00 0.00 43.02 41.57 1n8r s PHE 49 CO 0.01 0.43 0.01 0.08 0.70 0.00 0.00 175.22 176.45 1n8r s VAL 50 N -0.62 0.27 0.81 -0.44 1.01 -0.86 -0.62 120.40 119.95 1n8r s VAL 50 Ca 0.11 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1n8r s VAL 50 Cb -0.12 -0.43 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1n8r s VAL 50 CO 0.02 0.23 1.09 0.00 0.00 0.00 0.00 175.10 176.45 1n8r s ALA 51 N 1.82 2.06 -0.65 5.51 0.00 -0.41 -1.70 121.76 128.38 1n8r s ALA 51 Ca 0.02 0.20 0.12 0.00 0.00 0.00 0.00 51.96 52.30 1n8r s ALA 51 Cb -0.12 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 1n8r s ALA 51 CO -0.04 -1.94 0.55 0.39 0.00 0.00 0.00 175.76 174.71 1n8r n GLU 52 N -3.64 2.83 -1.66 0.00 1.02 -0.16 -4.51 120.64 114.53 1n8r n GLU 52 Ca 0.09 -0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1n8r n GLU 52 Cb 0.53 -1.09 0.05 0.00 -0.02 0.00 0.00 31.44 30.92 1n8r n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1n8r n ASP 53 N -1.15 6.97 -4.69 1.62 5.75 -1.20 -4.46 116.55 119.40 1n8r n ASP 53 Ca 0.03 -3.79 -0.37 0.00 -0.01 0.00 0.00 54.79 50.65 1n8r n ASP 53 Cb 0.20 -0.85 -0.08 0.00 -1.03 0.00 0.00 41.12 39.36 1n8r n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1n8r s VAL 54 N -4.89 5.28 -0.04 2.12 1.01 -1.26 -4.84 120.40 117.78 1n8r s VAL 54 Ca 0.58 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 1n8r s VAL 54 Cb 0.47 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1n8r s VAL 54 CO -0.10 0.32 0.07 -1.58 0.00 0.00 0.00 175.10 173.81 1n8r s GLN 55 N 0.95 -0.06 0.54 2.72 -0.44 -1.26 -3.44 119.66 118.67 1n8r s GLN 55 Ca 0.15 0.37 -0.19 0.00 -2.50 0.00 0.00 55.36 53.19 1n8r s GLN 55 Cb -0.14 -0.44 -0.06 0.00 -1.64 0.00 0.00 33.01 30.73 1n8r s GLN 55 CO 0.05 -0.30 1.10 -2.14 0.50 0.00 0.00 175.29 174.50 1n8r s PRO 56 N 1.99 3.42 0.43 1.67 0.02 -1.26 -5.07 135.00 136.21 1n8r s PRO 56 Ca 0.02 1.50 0.30 0.00 0.02 0.00 0.00 61.00 62.84 1n8r s PRO 56 Cb -0.12 -2.03 1.29 0.00 0.02 0.00 0.00 34.50 33.67 1n8r s PRO 56 CO -0.03 -0.77 1.89 0.93 -0.33 0.00 0.00 177.00 178.69 1n8r h GLU 57 N 1.15 0.00 -0.99 5.54 5.08 -2.00 -3.16 114.58 120.20 1n8r h GLU 57 Ca -0.49 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.08 1n8r h GLU 57 Cb 1.25 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.38 1n8r h GLU 57 CO 0.57 0.00 0.58 0.93 -1.00 0.00 0.00 179.01 180.09 1n8r h GLU 58 N 0.00 0.63 -0.10 2.33 3.07 -1.97 -0.76 114.58 117.77 1n8r h GLU 58 Ca 0.00 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1n8r h GLU 58 Cb 0.38 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1n8r h GLU 58 CO 0.00 0.41 0.30 0.82 -1.40 0.00 0.00 179.01 179.14 1n8r h ILE 59 N 0.64 0.13 0.00 3.13 2.04 -1.95 -3.02 117.51 118.48 1n8r h ILE 59 Ca 0.60 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.46 1n8r h ILE 59 Cb 1.05 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1n8r h ILE 59 CO -0.44 0.00 -0.66 0.52 0.00 0.00 0.00 178.15 177.57 1n8r n VAL 60 N -3.18 0.00 -0.12 1.67 0.31 -0.68 -4.84 118.33 111.50 1n8r n VAL 60 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1n8r n VAL 60 Cb 0.38 0.25 0.04 0.00 -0.91 0.00 0.00 33.84 33.60 1n8r n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1n8r n MET 61 N -1.04 -0.04 0.20 5.55 2.81 -0.38 -0.45 117.12 123.78 1n8r n MET 61 Ca 0.00 0.49 0.04 0.00 -1.81 0.00 0.00 57.70 56.42 1n8r n MET 61 Cb 0.03 -0.73 0.43 0.00 -0.71 0.00 0.00 33.22 32.24 1n8r n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1n8r h HIS 62 N 0.00 0.00 -0.06 2.03 2.07 -1.88 -3.37 115.15 113.94 1n8r h HIS 62 Ca 0.14 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.67 1n8r h HIS 62 Cb 0.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.19 1n8r h HIS 62 CO -0.25 0.29 -0.05 0.82 -3.07 0.00 0.00 177.93 175.67 1n8r h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -1.13 -0.74 117.51 122.85 1n8r h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1n8r h ILE 63 Cb 0.52 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 1n8r h ILE 63 CO 0.04 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.85 1n8r n PRO 64 N -3.09 0.00 -0.34 2.37 -0.02 -1.26 0.07 135.00 132.72 1n8r n PRO 64 Ca 0.00 0.41 0.18 0.00 -2.02 0.00 0.00 63.50 62.07 1n8r n PRO 64 Cb 0.02 -0.84 0.40 0.00 -0.02 0.00 0.00 33.50 33.06 1n8r n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1n8r h GLU 65 N 0.00 0.56 -0.41 -0.52 4.81 -1.82 0.20 114.58 117.40 1n8r h GLU 65 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1n8r h GLU 65 Cb 0.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1n8r h GLU 65 CO 0.00 0.37 0.27 1.25 -0.73 0.00 0.00 179.01 180.16 1n8r h LEU 66 N 0.57 0.45 -0.92 1.64 5.85 0.23 -1.55 115.31 121.58 1n8r h LEU 66 Ca 0.63 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 59.25 1n8r h LEU 66 Cb 1.24 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1n8r h LEU 66 CO -0.43 0.33 -0.14 0.00 -0.34 0.00 0.00 178.44 177.86 1n8r h ALA 67 N 1.16 1.09 -0.14 1.25 0.00 0.15 -3.02 119.26 119.75 1n8r h ALA 67 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1n8r h ALA 67 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1n8r h ALA 67 CO -0.04 0.56 0.06 -0.44 0.00 0.00 0.00 179.25 179.39 1n8r h ASP 68 N 0.57 0.19 0.00 0.00 3.32 -0.48 -1.06 116.42 118.96 1n8r h ASP 68 Ca 0.10 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1n8r h ASP 68 Cb 0.57 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1n8r h ASP 68 CO 0.04 0.28 0.00 -1.84 -1.72 0.00 0.00 179.24 176.00 1n8r n GLU 69 N -4.90 0.82 0.00 3.56 0.28 -0.64 -2.08 120.64 117.68 1n8r n GLU 69 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1n8r n GLU 69 Cb 0.11 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1n8r n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1n8r n LYS 70 N -0.36 0.39 0.00 3.44 4.76 -0.86 -5.00 118.16 120.52 1n8r n LYS 70 Ca 0.00 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.85 1n8r n LYS 70 Cb 0.05 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1n8r n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n8r n GLY 71 N -0.11 1.55 3.77 0.72 0.00 -0.47 -4.96 105.19 105.69 1n8r n GLY 71 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1n8r n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 72 N -1.84 2.15 0.32 1.61 1.01 -0.83 -4.96 120.40 117.87 1n8r s VAL 72 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1n8r s VAL 72 Cb 0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1n8r s VAL 72 CO 0.00 0.03 0.73 -2.84 0.00 0.00 0.00 175.10 173.02 1n8r s PRO 73 N -1.46 3.99 -0.01 2.72 0.02 -1.24 -4.43 135.00 134.58 1n8r s PRO 73 Ca 0.56 0.64 -0.06 0.00 0.02 0.00 0.00 61.00 62.16 1n8r s PRO 73 Cb -0.46 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1n8r s PRO 73 CO 0.56 0.16 0.12 -0.59 -0.33 0.00 0.00 177.00 176.92 1n8r s PHE 74 N -1.99 0.02 0.07 6.54 -0.12 -1.26 -0.92 117.98 120.32 1n8r s PHE 74 Ca 0.54 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.41 1n8r s PHE 74 Cb -0.10 -0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1n8r s PHE 74 CO 0.18 -0.23 -0.14 -1.50 -0.05 0.00 0.00 175.22 173.48 1n8r s ILE 75 N -1.08 1.07 0.12 -4.49 2.07 0.25 -4.93 121.20 114.20 1n8r s ILE 75 Ca -0.12 -1.26 -0.06 0.00 -1.41 0.00 0.00 60.65 57.80 1n8r s ILE 75 Cb -0.06 -1.03 -0.05 0.00 0.13 0.00 0.00 42.46 41.44 1n8r s ILE 75 CO 0.01 -0.22 0.36 -0.36 -1.91 0.00 0.00 174.94 172.83 1n8r s PHE 76 N -1.24 3.50 0.01 3.50 2.99 -1.26 -2.02 117.98 123.45 1n8r s PHE 76 Ca -0.02 0.59 0.05 0.00 0.00 0.00 0.00 56.93 57.54 1n8r s PHE 76 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 43.02 40.88 1n8r s PHE 76 CO 0.02 0.47 -0.15 0.08 -0.00 0.00 0.00 175.22 175.64 1n8r s VAL 77 N -1.58 1.21 -0.03 -0.44 1.01 -0.69 -4.87 120.40 115.01 1n8r s VAL 77 Ca 0.38 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1n8r s VAL 77 Cb -0.13 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1n8r s VAL 77 CO 0.23 0.20 0.54 -0.33 0.00 0.00 0.00 175.10 175.74 1n8r h GLU 78 N 5.37 -0.39 -6.55 2.72 4.39 -1.94 -0.39 114.58 117.79 1n8r h GLU 78 Ca -0.37 0.03 -0.52 0.00 0.34 0.00 0.00 59.36 58.84 1n8r h GLU 78 Cb 1.17 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1n8r h GLU 78 CO 0.46 -0.26 0.38 -0.65 -1.16 0.00 0.00 179.01 177.78 1n8r s GLN 79 N -2.90 4.66 0.20 2.33 -1.52 -1.26 -3.18 119.66 117.98 1n8r s GLN 79 Ca -0.06 1.48 -0.00 0.00 -1.95 0.00 0.00 55.36 54.83 1n8r s GLN 79 Cb 0.01 -3.38 0.13 0.00 -0.22 0.00 0.00 33.01 29.55 1n8r s GLN 79 CO 0.18 0.14 1.49 0.37 -0.25 0.00 0.00 175.29 177.22 1n8r h GLN 80 N 5.76 0.40 0.00 2.91 4.15 -1.87 -3.13 115.11 123.33 1n8r h GLN 80 Ca -0.43 -0.29 -0.14 0.00 0.77 0.00 0.00 58.65 58.56 1n8r h GLN 80 Cb 1.21 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 1n8r h GLN 80 CO 0.73 0.91 -0.67 -0.44 -1.93 0.00 0.00 178.83 177.43 1n8r h ASP 81 N 0.29 0.00 -0.39 -0.69 3.32 -1.92 -2.26 116.42 114.77 1n8r h ASP 81 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1n8r h ASP 81 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1n8r h ASP 81 CO 0.11 0.67 -0.38 0.44 -1.72 0.00 0.00 179.24 178.36 1n8r h ASP 82 N 0.00 1.01 -0.03 6.45 3.32 -1.93 0.18 116.42 125.42 1n8r h ASP 82 Ca -0.01 -0.46 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 1n8r h ASP 82 Cb 1.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1n8r h ASP 82 CO 0.09 1.26 -0.36 0.25 -1.72 0.00 0.00 179.24 178.76 1n8r h LEU 83 N 0.77 0.54 -0.18 1.55 5.85 -1.55 0.56 115.31 122.85 1n8r h LEU 83 Ca 0.06 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1n8r h LEU 83 Cb 0.98 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1n8r h LEU 83 CO 0.09 0.85 -0.07 1.23 -0.34 0.00 0.00 178.44 180.20 1n8r h GLY 84 N 1.07 0.39 1.32 3.75 0.00 -1.29 -0.98 103.07 107.32 1n8r h GLY 84 Ca 0.05 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1n8r h GLY 84 CO 0.07 0.31 0.07 0.84 0.00 0.00 0.00 176.54 177.83 1n8r h HIS 85 N 0.05 0.89 -0.51 5.60 -0.00 -0.48 0.90 115.15 121.58 1n8r h HIS 85 Ca 0.04 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.20 1n8r h HIS 85 Cb 0.54 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1n8r h HIS 85 CO 0.06 0.78 -0.07 0.00 -0.00 0.00 0.00 177.93 178.70 1n8r h ALA 86 N 1.27 0.70 0.00 5.26 0.00 -0.84 -2.17 119.26 123.48 1n8r h ALA 86 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n8r h ALA 86 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n8r h ALA 86 CO 0.01 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1n8r n ALA 87 N -2.48 2.00 -0.29 0.00 0.00 -0.38 -4.02 120.51 115.34 1n8r n ALA 87 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1n8r n ALA 87 Cb 0.37 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1n8r n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 88 N 0.16 0.85 3.91 0.00 0.00 -0.82 -4.96 105.19 104.33 1n8r n GLY 88 Ca 0.10 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1n8r n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8r s LEU 89 N 0.00 4.26 0.20 0.99 1.43 0.28 -4.98 118.68 120.86 1n8r s LEU 89 Ca 0.00 0.51 0.26 0.00 -1.03 0.00 0.00 54.13 53.87 1n8r s LEU 89 Cb 0.00 -3.25 0.76 0.00 0.03 0.00 0.00 46.19 43.73 1n8r s LEU 89 CO 0.00 0.04 1.72 1.21 0.23 0.00 0.00 176.35 179.55 1n8r n GLU 90 N -0.08 0.27 -4.01 1.70 2.13 -1.26 -3.85 120.64 115.53 1n8r n GLU 90 Ca -0.03 0.20 -0.25 0.00 0.66 0.00 0.00 57.16 57.74 1n8r n GLU 90 Cb 0.52 -1.79 -0.05 0.00 0.27 0.00 0.00 31.44 30.39 1n8r n GLU 90 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1n8r s VAL 91 N -3.11 2.09 0.49 6.31 1.01 -1.26 -4.99 120.40 120.94 1n8r s VAL 91 Ca 0.10 -1.60 -0.08 0.00 0.00 0.00 0.00 61.98 60.40 1n8r s VAL 91 Cb 0.12 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.93 1n8r s VAL 91 CO 0.61 0.00 0.57 0.61 0.00 0.00 0.00 175.10 176.89 1n8r n GLY 92 N -1.45 -1.75 3.62 4.51 0.00 -1.26 -4.12 105.19 104.75 1n8r n GLY 92 Ca -0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 1n8r n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n8r s SER 93 N -3.10 -0.93 0.46 1.61 0.15 -0.88 -4.70 113.70 106.31 1n8r s SER 93 Ca 0.34 1.39 0.26 0.00 0.70 0.00 0.00 55.95 58.64 1n8r s SER 93 Cb -0.02 1.71 0.65 0.00 -1.71 0.00 0.00 66.02 66.66 1n8r s SER 93 CO 0.24 -0.21 1.72 0.00 1.20 0.00 0.00 173.24 176.20 1n8r h ALA 94 N 7.28 0.98 -1.91 5.45 0.00 -1.95 -3.39 119.26 125.73 1n8r h ALA 94 Ca -0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1n8r h ALA 94 Cb 1.17 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 1n8r h ALA 94 CO 0.14 0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.63 1n8r s ALA 95 N -3.35 -1.85 0.20 0.00 0.00 -1.26 -1.29 121.76 114.21 1n8r s ALA 95 Ca 0.05 2.06 0.04 0.00 0.00 0.00 0.00 51.96 54.11 1n8r s ALA 95 Cb 0.07 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1n8r s ALA 95 CO 0.64 -0.33 -0.03 0.00 0.00 0.00 0.00 175.76 176.04 1n8r s ALA 96 N 0.56 1.64 -0.08 0.00 0.00 0.21 -1.51 121.76 122.59 1n8r s ALA 96 Ca -0.01 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.26 1n8r s ALA 96 Cb -0.05 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1n8r s ALA 96 CO -0.04 -0.21 0.17 0.00 0.00 0.00 0.00 175.76 175.68 1n8r s ALA 97 N -3.42 -0.30 -0.77 0.00 0.00 0.15 -0.24 121.76 117.18 1n8r s ALA 97 Ca 0.24 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1n8r s ALA 97 Cb 0.05 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.68 1n8r s ALA 97 CO 0.06 -0.24 1.12 0.08 0.00 0.00 0.00 175.76 176.78 1n8r s VAL 98 N 1.41 4.22 -1.04 0.00 1.01 0.30 0.77 120.40 127.07 1n8r s VAL 98 Ca -0.07 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1n8r s VAL 98 Cb -0.11 -4.80 0.11 0.00 0.00 0.00 0.00 36.38 31.58 1n8r s VAL 98 CO -0.06 -1.61 1.32 0.28 0.00 0.00 0.00 175.10 175.02 1n8r s THR 99 N 4.28 4.55 -0.08 3.92 -1.32 0.23 -2.96 115.64 124.24 1n8r s THR 99 Ca 0.30 -1.63 -0.00 0.00 -1.21 0.00 0.00 61.69 59.14 1n8r s THR 99 Cb -0.11 -4.91 0.00 0.00 -1.51 0.00 0.00 72.50 65.98 1n8r s THR 99 CO 0.05 -1.68 0.01 0.47 -2.21 0.00 0.00 174.62 171.26 1n8r n ASP 100 N 7.07 -3.52 -2.81 8.08 9.92 -1.25 -3.35 116.55 130.69 1n8r n ASP 100 Ca 0.31 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1n8r n ASP 100 Cb 0.48 -2.22 0.00 0.00 -0.64 0.00 0.00 41.12 38.74 1n8r n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n8r n ALA 101 N 0.22 0.00 -3.36 2.24 0.00 -1.26 -1.31 120.51 117.04 1n8r n ALA 101 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1n8r n ALA 101 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1n8r n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1n8r s GLY 102 N -0.45 -0.28 -1.11 0.00 0.00 -1.26 -3.75 107.32 100.47 1n8r s GLY 102 Ca 0.00 2.92 -0.01 0.00 0.00 0.00 0.00 44.72 47.63 1n8r s GLY 102 CO 0.00 3.33 0.06 0.00 0.00 0.00 0.00 173.10 176.49 1n8r n ALA 103 N 5.09 -0.80 -1.77 3.20 0.00 -1.26 -4.38 120.51 120.58 1n8r n ALA 103 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1n8r n ALA 103 Cb 0.52 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1n8r n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n8r n ALA 104 N -2.37 0.06 0.27 0.00 0.00 -1.26 -4.89 120.51 112.32 1n8r n ALA 104 Ca -0.14 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1n8r n ALA 104 Cb 0.61 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.71 1n8r n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n8r h ALA 105 N 0.00 1.26 -0.84 0.00 0.00 -1.90 0.69 119.26 118.47 1n8r h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n8r h ALA 105 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n8r h ALA 105 CO 0.00 -0.26 0.00 2.41 0.00 0.00 0.00 179.25 181.40 1n8r n THR 106 N -2.56 0.00 -0.31 0.00 -1.04 -1.26 -2.71 114.28 106.39 1n8r n THR 106 Ca -0.02 0.36 0.16 0.00 -2.04 0.00 0.00 64.05 62.52 1n8r n THR 106 Cb 0.33 -1.15 0.33 0.00 -1.82 0.00 0.00 70.33 68.02 1n8r n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1n8r h VAL 107 N 0.00 0.21 0.74 12.58 2.07 -1.80 -0.30 116.25 129.75 1n8r h VAL 107 Ca 0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1n8r h VAL 107 Cb 0.00 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1n8r h VAL 107 CO 0.00 0.03 -0.45 0.25 0.02 0.00 0.00 177.57 177.41 1n8r h LEU 108 N 0.15 -1.14 -1.19 2.57 5.85 0.20 -1.27 115.31 120.48 1n8r h LEU 108 Ca 0.61 0.06 0.31 0.00 0.84 0.00 0.00 57.88 59.70 1n8r h LEU 108 Cb 1.30 0.33 -0.12 0.00 0.37 0.00 0.00 40.66 42.54 1n8r h LEU 108 CO -0.72 -0.70 0.66 -0.08 -0.34 0.00 0.00 178.44 177.26 1n8r h GLU 109 N -1.12 0.34 -0.03 1.25 4.81 -0.87 0.19 114.58 119.15 1n8r h GLU 109 Ca -0.10 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 1n8r h GLU 109 Cb 0.89 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1n8r h GLU 109 CO 0.10 0.22 -0.74 0.93 -0.73 0.00 0.00 179.01 178.79 1n8r h GLU 110 N 0.35 0.18 -0.43 1.92 5.08 -1.02 -2.40 114.58 118.26 1n8r h GLU 110 Ca 0.69 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.85 1n8r h GLU 110 Cb 1.71 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 1n8r h GLU 110 CO -0.45 0.84 0.10 0.82 -1.00 0.00 0.00 179.01 179.32 1n8r h ILE 111 N 0.12 1.23 -0.90 3.13 2.04 0.53 0.34 117.51 124.01 1n8r h ILE 111 Ca -0.02 -0.82 0.12 0.00 1.00 0.00 0.00 64.86 65.14 1n8r h ILE 111 Cb 1.31 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 1n8r h ILE 111 CO 0.11 0.29 0.53 0.00 0.00 0.00 0.00 178.15 179.07 1n8r h ALA 112 N 0.96 1.33 -0.13 1.87 0.00 -1.10 -0.68 119.26 121.51 1n8r h ALA 112 Ca 0.14 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1n8r h ALA 112 Cb 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n8r h ALA 112 CO 0.00 0.11 -0.11 -0.44 0.00 0.00 0.00 179.25 178.82 1n8r h ASP 113 N 0.84 0.31 -0.85 0.00 3.32 -0.79 -1.61 116.42 117.63 1n8r h ASP 113 Ca 0.45 -0.46 0.12 0.00 0.02 0.00 0.00 57.03 57.15 1n8r h ASP 113 Cb 0.47 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 1n8r h ASP 113 CO -0.28 0.71 0.55 0.11 -1.72 0.00 0.00 179.24 178.61 1n8r h LYS 114 N -0.09 0.70 -0.02 3.56 1.57 0.47 -1.49 116.57 121.29 1n8r h LYS 114 Ca 0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1n8r h LYS 114 Cb 0.61 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1n8r h LYS 114 CO 0.03 0.47 -0.09 0.28 -0.57 0.00 0.00 179.45 179.56 1n8r h VAL 115 N 0.72 1.51 -0.99 0.50 2.07 -1.07 -0.83 116.25 118.15 1n8r h VAL 115 Ca 0.41 -1.63 0.21 0.00 0.82 0.00 0.00 66.70 66.51 1n8r h VAL 115 Cb 0.58 2.56 -0.10 0.00 -1.52 0.00 0.00 31.29 32.81 1n8r h VAL 115 CO -0.17 0.44 0.62 -0.33 0.02 0.00 0.00 177.57 178.14 1n8r h GLU 116 N -0.54 0.58 -0.01 1.57 4.39 -0.86 1.03 114.58 120.75 1n8r h GLU 116 Ca -0.01 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 1n8r h GLU 116 Cb 0.76 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1n8r h GLU 116 CO 0.02 0.39 -0.76 0.93 -1.16 0.00 0.00 179.01 178.43 1n8r h GLU 117 N 0.60 0.06 0.00 2.33 5.08 -1.24 -2.25 114.58 119.16 1n8r h GLU 117 Ca 0.57 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1n8r h GLU 117 Cb 1.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1n8r h GLU 117 CO -0.34 0.79 0.00 -0.11 -1.00 0.00 0.00 179.01 178.35 1n8r n LEU 118 N -3.68 0.00 0.00 1.33 7.94 0.35 -5.10 117.00 117.84 1n8r n LEU 118 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1n8r n LEU 118 Cb 0.73 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.68 1n8r n LEU 118 CO 0.45 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.59