#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s ASP 2 N 0.00 4.29 -0.02 3.42 -1.08 -1.26 -4.99 116.67 117.03 1n8r s ASP 2 Ca 0.00 -1.78 0.18 0.00 -0.52 0.00 0.00 52.55 50.43 1n8r s ASP 2 Cb 0.00 -1.20 0.55 0.00 -1.46 0.00 0.00 42.92 40.81 1n8r s ASP 2 CO 0.00 -0.38 1.45 0.18 0.52 0.00 0.00 175.17 176.94 1n8r n LEU 3 N 4.60 3.38 -0.29 -1.34 4.77 -1.26 -4.46 117.00 122.39 1n8r n LEU 3 Ca -0.01 -1.69 0.02 0.00 -0.03 0.00 0.00 56.01 54.30 1n8r n LEU 3 Cb 0.42 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.24 1n8r n LEU 3 CO 0.16 0.79 1.15 0.77 -1.33 0.00 0.00 177.39 178.94 1n8r h SER 4 N 3.52 0.72 -0.16 -1.43 4.64 -1.99 -0.65 113.55 118.20 1n8r h SER 4 Ca 0.00 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1n8r h SER 4 Cb 0.89 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1n8r h SER 4 CO 0.03 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 1n8r h ALA 5 N 1.43 0.14 -0.84 5.18 0.00 -2.01 -2.18 119.26 120.98 1n8r h ALA 5 Ca 0.39 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1n8r h ALA 5 Cb 0.30 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1n8r h ALA 5 CO -0.22 -0.44 0.52 1.96 0.00 0.00 0.00 179.25 181.07 1n8r h GLN 6 N 0.06 0.92 -0.44 0.00 7.50 -1.73 -1.05 115.11 120.37 1n8r h GLN 6 Ca 0.07 -0.06 0.07 0.00 0.50 0.00 0.00 58.65 59.24 1n8r h GLN 6 Cb 0.09 -0.21 -0.06 0.00 0.05 0.00 0.00 27.48 27.35 1n8r h GLN 6 CO -0.12 0.61 0.07 0.87 -1.50 0.00 0.00 178.83 178.75 1n8r h LYS 7 N 0.95 0.19 -0.47 1.46 1.79 -0.64 0.71 116.57 120.55 1n8r h LYS 7 Ca 0.36 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.84 1n8r h LYS 7 Cb 0.16 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1n8r h LYS 7 CO -0.17 0.12 0.28 -0.09 -1.08 0.00 0.00 179.45 178.51 1n8r h ARG 8 N 0.19 0.54 -0.44 3.15 2.43 -0.62 -1.54 114.38 118.08 1n8r h ARG 8 Ca 0.22 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1n8r h ARG 8 Cb 0.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1n8r h ARG 8 CO -0.30 0.36 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.34 1n8r h LEU 9 N 0.55 0.85 -0.17 3.80 3.38 -0.26 -2.89 115.31 120.58 1n8r h LEU 9 Ca 0.19 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1n8r h LEU 9 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n8r h LEU 9 CO -0.09 1.02 0.01 0.00 0.09 0.00 0.00 178.44 179.47 1n8r h ALA 10 N 0.87 0.15 -0.46 1.53 0.00 0.58 -0.36 119.26 121.57 1n8r h ALA 10 Ca 0.11 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1n8r h ALA 10 Cb 0.64 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1n8r h ALA 10 CO 0.04 -0.43 0.31 0.00 0.00 0.00 0.00 179.25 179.18 1n8r h ALA 11 N 1.13 2.04 0.10 0.00 0.00 -1.23 0.17 119.26 121.47 1n8r h ALA 11 Ca 0.08 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 1n8r h ALA 11 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n8r h ALA 11 CO -0.12 -0.14 -1.35 0.22 0.00 0.00 0.00 179.25 177.86 1n8r h ASP 12 N 0.30 0.33 -0.05 0.00 1.82 -1.19 0.44 116.42 118.07 1n8r h ASP 12 Ca 0.21 -0.40 -0.05 0.00 -0.39 0.00 0.00 57.03 56.39 1n8r h ASP 12 Cb 0.43 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1n8r h ASP 12 CO -0.04 1.33 -0.17 1.62 -1.61 0.00 0.00 179.24 180.36 1n8r h VAL 13 N 0.06 1.45 0.00 2.25 3.04 -0.39 -2.90 116.25 119.76 1n8r h VAL 13 Ca -0.17 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 1n8r h VAL 13 Cb 1.96 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 33.61 1n8r h VAL 13 CO 0.17 0.44 0.00 0.18 -1.01 0.00 0.00 177.57 177.35 1n8r n LEU 14 N -4.59 0.00 -3.59 3.16 4.77 0.55 -4.90 117.00 112.40 1n8r n LEU 14 Ca -0.08 0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 1n8r n LEU 14 Cb 0.41 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1n8r n LEU 14 CO 0.38 -0.07 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.67 1n8r n ASP 15 N -1.27 -5.69 -3.96 -1.43 -0.08 -0.87 -5.00 116.55 98.25 1n8r n ASP 15 Ca 0.11 -0.88 -0.10 0.00 -1.51 0.00 0.00 54.79 52.42 1n8r n ASP 15 Cb 0.17 -3.57 -0.06 0.00 2.34 0.00 0.00 41.12 39.99 1n8r n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1n8r s VAL 16 N -3.35 0.04 0.39 5.18 1.01 0.15 -5.01 120.40 118.81 1n8r s VAL 16 Ca 0.37 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 1n8r s VAL 16 Cb -0.13 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 1n8r s VAL 16 CO 0.84 -0.19 1.31 -0.83 0.00 0.00 0.00 175.10 176.23 1n8r s GLY 17 N -2.98 2.94 0.27 4.51 0.00 -1.26 -4.40 107.32 106.39 1n8r s GLY 17 Ca 0.19 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.16 1n8r s GLY 17 CO 0.03 1.85 1.76 0.50 0.00 0.00 0.00 173.10 177.23 1n8r h LYS 18 N 2.80 0.63 0.00 2.90 1.57 -1.89 -0.32 116.57 122.26 1n8r h LYS 18 Ca -0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1n8r h LYS 18 Cb 1.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1n8r h LYS 18 CO 0.63 0.41 0.00 0.09 -0.57 0.00 0.00 179.45 180.02 1n8r n ASN 19 N -4.86 0.00 -0.01 0.86 3.02 -1.26 -1.59 115.26 111.43 1n8r n ASN 19 Ca 0.18 0.48 0.10 0.00 -0.03 0.00 0.00 54.58 55.31 1n8r n ASN 19 Cb 0.46 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 39.01 1n8r n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n8r n ARG 20 N -1.48 0.55 -2.23 3.52 1.74 -0.14 -4.96 116.66 113.66 1n8r n ARG 20 Ca 0.01 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.56 1n8r n ARG 20 Cb 0.02 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1n8r n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1n8r s VAL 21 N -3.20 3.04 -0.10 1.55 -7.23 -0.62 -0.75 120.40 113.08 1n8r s VAL 21 Ca -0.02 0.99 0.04 0.00 -1.81 0.00 0.00 61.98 61.18 1n8r s VAL 21 Cb 0.14 -3.63 -0.00 0.00 0.56 0.00 0.00 36.38 33.45 1n8r s VAL 21 CO 0.84 0.21 -0.23 0.86 -0.31 0.00 0.00 175.10 176.47 1n8r s TRP 22 N -0.80 2.59 -0.14 2.82 -0.00 0.21 -4.91 118.94 118.71 1n8r s TRP 22 Ca 0.50 -0.99 -0.02 0.00 -0.00 0.00 0.00 56.10 55.59 1n8r s TRP 22 Cb -0.37 -1.72 -0.02 0.00 -0.00 0.00 0.00 33.47 31.35 1n8r s TRP 22 CO 0.46 -0.39 -0.07 -0.06 -0.00 0.00 0.00 176.95 176.89 1n8r s PHE 23 N 0.33 2.96 -0.07 5.86 0.08 -1.26 -1.35 117.98 124.52 1n8r s PHE 23 Ca -0.18 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.18 1n8r s PHE 23 Cb -0.18 -1.91 -0.06 0.00 -0.57 0.00 0.00 43.02 40.30 1n8r s PHE 23 CO 0.08 -0.08 1.80 1.21 -0.10 0.00 0.00 175.22 178.14 1n8r s ASN 24 N 0.32 6.42 0.59 1.36 3.84 -0.15 -4.84 114.94 122.48 1n8r s ASN 24 Ca -0.06 2.23 0.29 0.00 0.21 0.00 0.00 52.86 55.53 1n8r s ASN 24 Cb -0.15 -2.53 1.48 0.00 -0.55 0.00 0.00 41.25 39.50 1n8r s ASN 24 CO 0.04 -1.13 1.90 -0.65 -2.79 0.00 0.00 177.10 174.46 1n8r h PRO 25 N 10.66 0.00 -0.01 0.43 0.11 -1.97 0.13 132.00 141.35 1n8r h PRO 25 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1n8r h PRO 25 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n8r h PRO 25 CO 0.96 0.00 -0.05 0.39 -0.21 0.00 0.00 178.00 179.09 1n8r n GLU 26 N -3.73 1.21 -0.86 1.05 1.02 -1.26 -3.98 120.64 114.09 1n8r n GLU 26 Ca 0.09 -0.51 0.05 0.00 -0.02 0.00 0.00 57.16 56.76 1n8r n GLU 26 Cb 0.68 -1.49 0.16 0.00 -0.02 0.00 0.00 31.44 30.76 1n8r n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n8r n ARG 27 N -0.45 1.21 -0.07 3.49 1.74 0.45 -4.80 116.66 118.23 1n8r n ARG 27 Ca 0.19 -2.98 -0.07 0.00 -0.77 0.00 0.00 57.85 54.21 1n8r n ARG 27 Cb 0.27 -1.21 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 1n8r n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1n8r h GLN 28 N 1.03 -0.05 -0.47 5.56 4.20 -1.69 0.14 115.11 123.83 1n8r h GLN 28 Ca -0.05 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.74 1n8r h GLN 28 Cb 1.24 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.93 1n8r h GLN 28 CO 0.04 -0.03 -0.36 0.78 -0.67 0.00 0.00 178.83 178.58 1n8r h GLY 29 N -0.05 -0.31 0.93 3.46 0.00 -1.92 0.71 103.07 105.89 1n8r h GLY 29 Ca 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1n8r h GLY 29 CO -0.31 -0.20 0.13 -0.55 0.00 0.00 0.00 176.54 175.61 1n8r h ASP 30 N -0.24 0.49 -0.45 0.19 3.32 -1.78 -2.54 116.42 115.41 1n8r h ASP 30 Ca 0.18 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1n8r h ASP 30 Cb 0.56 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1n8r h ASP 30 CO -0.60 0.53 0.14 0.40 -1.72 0.00 0.00 179.24 177.99 1n8r h ILE 31 N 0.42 1.21 -0.42 0.35 2.04 -0.08 -0.82 117.51 120.20 1n8r h ILE 31 Ca 0.12 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.34 1n8r h ILE 31 Cb 0.20 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1n8r h ILE 31 CO -0.01 0.28 0.30 0.00 0.00 0.00 0.00 178.15 178.71 1n8r h ALA 32 N 1.41 2.28 0.00 1.87 0.00 0.79 0.14 119.26 125.76 1n8r h ALA 32 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n8r h ALA 32 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n8r h ALA 32 CO -0.01 -0.39 -0.25 -0.25 0.00 0.00 0.00 179.25 178.36 1n8r n ASP 33 N -4.44 0.43 -4.64 0.00 8.00 -0.35 -4.77 116.55 110.78 1n8r n ASP 33 Ca 0.07 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 1n8r n ASP 33 Cb 0.43 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1n8r n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r s ALA 34 N -3.05 3.41 -0.13 2.24 0.00 0.50 -4.82 121.76 119.91 1n8r s ALA 34 Ca 0.11 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1n8r s ALA 34 Cb 0.16 -3.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 1n8r s ALA 34 CO 0.62 -1.73 -0.12 -0.89 0.00 0.00 0.00 175.76 173.65 1n8r n ILE 35 N 6.05 0.76 -3.98 0.00 2.08 -1.26 -4.89 119.36 118.11 1n8r n ILE 35 Ca 0.18 -0.28 -0.22 0.00 0.56 0.00 0.00 62.75 62.99 1n8r n ILE 35 Cb 0.44 -1.03 -0.03 0.00 -0.75 0.00 0.00 39.64 38.28 1n8r n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1n8r s THR 36 N -2.26 5.16 0.40 1.39 -4.23 -1.26 -4.98 115.64 109.86 1n8r s THR 36 Ca -0.18 -0.98 0.11 0.00 -1.18 0.00 0.00 61.69 59.47 1n8r s THR 36 Cb 0.05 -3.77 0.32 0.00 1.34 0.00 0.00 72.50 70.44 1n8r s THR 36 CO 0.30 -0.28 1.95 0.03 -0.54 0.00 0.00 174.62 176.08 1n8r h ARG 37 N 1.44 0.53 -0.37 3.99 3.08 -1.97 0.13 114.38 121.21 1n8r h ARG 37 Ca -0.51 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.48 1n8r h ARG 37 Cb 1.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1n8r h ARG 37 CO 0.63 0.35 0.11 1.49 -1.07 0.00 0.00 179.97 181.47 1n8r h GLU 38 N 0.55 0.58 -0.97 0.04 4.57 -1.99 0.08 114.58 117.44 1n8r h GLU 38 Ca 0.32 -0.13 0.11 0.00 -1.18 0.00 0.00 59.36 58.48 1n8r h GLU 38 Cb 0.53 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 1n8r h GLU 38 CO -0.11 0.61 0.62 -0.44 -1.18 0.00 0.00 179.01 178.51 1n8r h ASP 39 N 0.45 0.89 0.42 1.04 3.32 -1.18 -1.12 116.42 120.24 1n8r h ASP 39 Ca 0.12 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1n8r h ASP 39 Cb 0.28 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1n8r h ASP 39 CO -0.00 0.50 -0.20 0.58 -1.72 0.00 0.00 179.24 178.39 1n8r h VAL 40 N 0.97 0.56 -1.02 -1.35 2.07 -0.25 -2.13 116.25 115.09 1n8r h VAL 40 Ca 0.46 -0.34 0.25 0.00 0.82 0.00 0.00 66.70 67.90 1n8r h VAL 40 Cb 0.45 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1n8r h VAL 40 CO -0.22 0.06 0.66 0.03 0.02 0.00 0.00 177.57 178.12 1n8r h ARG 41 N -0.77 0.39 -0.45 1.57 3.08 -0.38 0.32 114.38 118.13 1n8r h ARG 41 Ca -0.06 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1n8r h ARG 41 Cb 0.53 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1n8r h ARG 41 CO 0.10 0.26 -0.17 1.49 -1.07 0.00 0.00 179.97 180.58 1n8r h GLU 42 N 0.40 0.87 0.00 0.04 4.81 -0.93 0.20 114.58 119.97 1n8r h GLU 42 Ca 0.57 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1n8r h GLU 42 Cb 1.44 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1n8r h GLU 42 CO -0.27 0.97 0.00 -0.07 -0.73 0.00 0.00 179.01 178.91 1n8r h LEU 43 N 0.77 0.00 -0.00 1.64 3.38 0.13 -2.68 115.31 118.54 1n8r h LEU 43 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1n8r h LEU 43 Cb 0.69 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1n8r h LEU 43 CO 0.05 0.00 -0.34 0.58 0.09 0.00 0.00 178.44 178.82 1n8r h VAL 44 N 0.00 1.51 0.00 1.22 2.07 0.11 -0.29 116.25 120.88 1n8r h VAL 44 Ca 0.00 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1n8r h VAL 44 Cb 0.85 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1n8r h VAL 44 CO 0.00 0.55 -0.04 0.44 0.02 0.00 0.00 177.57 178.54 1n8r h ASP 45 N -0.39 0.00 0.14 0.57 3.32 -0.87 0.32 116.42 119.49 1n8r h ASP 45 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1n8r h ASP 45 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1n8r h ASP 45 CO 0.07 0.04 -0.10 -0.62 -1.72 0.00 0.00 179.24 176.91 1n8r n GLU 46 N -3.54 1.17 -1.04 3.56 1.02 -1.02 -4.92 120.64 115.87 1n8r n GLU 46 Ca -0.02 -0.60 -0.01 0.00 -0.02 0.00 0.00 57.16 56.50 1n8r n GLU 46 Cb 0.14 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1n8r n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8r n GLY 47 N 1.23 0.46 0.16 0.62 0.00 0.11 -4.87 105.19 102.90 1n8r n GLY 47 Ca 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1n8r n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r h ALA 48 N 0.00 0.86 -3.21 4.61 0.00 -1.25 -3.42 119.26 116.85 1n8r h ALA 48 Ca -0.03 -0.46 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 1n8r h ALA 48 Cb 0.35 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.72 1n8r h ALA 48 CO 0.04 0.63 -0.87 0.42 0.00 0.00 0.00 179.25 179.48 1n8r s ILE 49 N -3.38 1.99 0.21 0.00 1.01 -0.87 -0.97 121.20 119.18 1n8r s ILE 49 Ca 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 1n8r s ILE 49 Cb 0.10 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1n8r s ILE 49 CO 0.72 0.54 0.12 -1.10 0.00 0.00 0.00 174.94 175.22 1n8r s GLN 50 N 0.84 1.23 -0.19 2.79 -0.21 -0.46 -4.50 119.66 119.16 1n8r s GLN 50 Ca -0.07 -1.65 -0.01 0.00 0.02 0.00 0.00 55.36 53.66 1n8r s GLN 50 Cb -0.15 0.15 0.01 0.00 1.00 0.00 0.00 33.01 34.01 1n8r s GLN 50 CO -0.02 -0.36 -0.14 0.00 -2.12 0.00 0.00 175.29 172.65 1n8r s ALA 51 N -4.06 2.51 1.07 6.09 0.00 -1.26 0.65 121.76 126.75 1n8r s ALA 51 Ca 0.38 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1n8r s ALA 51 Cb 0.07 -1.37 0.23 0.00 0.00 0.00 0.00 23.12 22.05 1n8r s ALA 51 CO 0.12 -0.37 1.07 0.21 0.00 0.00 0.00 175.76 176.79 1n8r s LYS 52 N 1.35 -0.16 -0.08 0.00 2.47 0.07 -4.97 119.74 118.41 1n8r s LYS 52 Ca 0.05 1.08 -0.13 0.00 -1.56 0.00 0.00 55.97 55.41 1n8r s LYS 52 Cb -0.14 -1.62 -0.05 0.00 -1.46 0.00 0.00 37.83 34.56 1n8r s LYS 52 CO -0.09 -3.29 0.33 -0.51 0.16 0.00 0.00 175.35 171.95 1n8r s ASP 53 N -2.62 6.61 0.23 1.43 1.01 -1.26 -4.97 116.67 117.10 1n8r s ASP 53 Ca 0.68 0.73 -0.30 0.00 0.71 0.00 0.00 52.55 54.36 1n8r s ASP 53 Cb -0.24 -2.20 -0.09 0.00 1.01 0.00 0.00 42.92 41.41 1n8r s ASP 53 CO 0.62 0.25 1.01 -1.59 0.21 0.00 0.00 175.17 175.66 1n8r s LYS 54 N -0.47 4.74 0.74 8.23 -2.85 -1.26 -5.03 119.74 123.84 1n8r s LYS 54 Ca 0.20 1.60 -0.06 0.00 -1.00 0.00 0.00 55.97 56.71 1n8r s LYS 54 Cb -0.15 -3.27 0.10 0.00 -2.06 0.00 0.00 37.83 32.46 1n8r s LYS 54 CO 0.09 0.34 1.04 -1.59 0.10 0.00 0.00 175.35 175.33 1n8r s LYS 55 N -1.00 1.80 -0.01 1.78 -2.85 -1.26 -5.10 119.74 113.10 1n8r s LYS 55 Ca 0.44 -0.56 -0.04 0.00 -1.00 0.00 0.00 55.97 54.81 1n8r s LYS 55 Cb -0.28 -2.18 0.00 0.00 -2.06 0.00 0.00 37.83 33.31 1n8r s LYS 55 CO 0.35 -1.46 0.08 0.20 0.10 0.00 0.00 175.35 174.62 1n8r s GLY 56 N -4.64 0.03 0.32 0.59 0.00 -1.26 -5.13 107.32 97.23 1n8r s GLY 56 Ca 0.64 -0.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.04 1n8r s GLY 56 CO 0.46 -0.11 1.20 -1.31 0.00 0.00 0.00 173.10 173.33 1n8r s ASN 57 N -0.73 6.96 0.06 1.64 -0.87 -1.26 -4.96 114.94 115.78 1n8r s ASN 57 Ca -0.08 2.46 -0.31 0.00 -1.57 0.00 0.00 52.86 53.36 1n8r s ASN 57 Cb -0.05 -2.63 -0.06 0.00 -0.02 0.00 0.00 41.25 38.49 1n8r s ASN 57 CO 0.00 -0.38 1.20 -0.44 -2.57 0.00 0.00 177.10 174.91 1n8r s SER 58 N -0.75 7.08 -0.08 -1.22 0.01 -1.26 -4.91 113.70 112.57 1n8r s SER 58 Ca 0.48 2.02 0.18 0.00 1.31 0.00 0.00 55.95 59.94 1n8r s SER 58 Cb -0.35 -2.58 0.62 0.00 0.21 0.00 0.00 66.02 63.92 1n8r s SER 58 CO 0.46 -0.47 1.53 0.54 0.41 0.00 0.00 173.24 175.71 1n8r n ARG 59 N 3.89 3.33 0.34 12.44 1.74 -1.26 -4.63 116.66 132.51 1n8r n ARG 59 Ca 0.09 -2.70 -0.16 0.00 -0.77 0.00 0.00 57.85 54.31 1n8r n ARG 59 Cb 0.46 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 1n8r n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1n8r h GLY 60 N 3.53 -1.19 1.91 -0.13 0.00 -2.00 0.00 103.07 105.19 1n8r h GLY 60 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.84 1n8r h GLY 60 CO 0.15 -0.39 0.04 3.21 0.00 0.00 0.00 176.54 179.54 1n8r h ARG 61 N -0.99 0.00 -0.11 4.80 3.08 -2.01 -0.72 114.38 118.44 1n8r h ARG 61 Ca -0.08 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 1n8r h ARG 61 Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.86 1n8r h ARG 61 CO 0.06 0.00 -0.44 0.00 -1.07 0.00 0.00 179.97 178.52 1n8r h ALA 62 N 1.95 0.20 -0.25 0.04 0.00 -1.75 -2.87 119.26 116.57 1n8r h ALA 62 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1n8r h ALA 62 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n8r h ALA 62 CO -0.00 0.34 0.16 0.00 0.00 0.00 0.00 179.25 179.75 1n8r h ARG 63 N 0.07 0.33 -0.84 0.00 3.08 0.50 0.29 114.38 117.80 1n8r h ARG 63 Ca -0.03 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1n8r h ARG 63 Cb 1.08 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.99 1n8r h ARG 63 CO 0.09 0.22 0.51 0.93 -1.07 0.00 0.00 179.97 180.65 1n8r h GLU 64 N 0.33 0.88 -0.12 0.04 5.08 -1.45 0.44 114.58 119.79 1n8r h GLU 64 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1n8r h GLU 64 Cb -0.03 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1n8r h GLU 64 CO -0.02 0.58 0.02 -0.09 -1.00 0.00 0.00 179.01 178.50 1n8r h ARG 65 N 0.91 0.19 -0.98 2.33 2.43 -1.20 -2.09 114.38 115.97 1n8r h ARG 65 Ca 0.38 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.70 1n8r h ARG 65 Cb 0.23 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.66 1n8r h ARG 65 CO -0.19 0.40 0.62 1.96 -1.51 0.00 0.00 179.97 181.24 1n8r h GLN 66 N -0.04 0.59 0.00 0.20 4.20 0.34 0.01 115.11 120.41 1n8r h GLN 66 Ca 0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n8r h GLN 66 Cb 0.30 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1n8r h GLN 66 CO 0.00 0.39 -0.00 0.87 -0.67 0.00 0.00 178.83 179.42 1n8r h LYS 67 N 0.61 -0.00 -0.69 1.46 1.57 -0.51 -1.13 116.57 117.88 1n8r h LYS 67 Ca 0.55 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.42 1n8r h LYS 67 Cb 1.06 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 1n8r h LYS 67 CO -0.31 0.41 0.33 0.87 -0.57 0.00 0.00 179.45 180.18 1n8r h LYS 68 N -0.42 0.54 0.00 3.15 1.79 -0.57 -0.30 116.57 120.77 1n8r h LYS 68 Ca -0.00 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1n8r h LYS 68 Cb 0.41 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1n8r h LYS 68 CO 0.00 0.36 -0.25 0.00 -1.08 0.00 0.00 179.45 178.49 1n8r h ARG 69 N 0.56 0.00 0.00 3.15 3.08 -1.03 0.25 114.38 120.39 1n8r h ARG 69 Ca 0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.28 1n8r h ARG 69 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1n8r h ARG 69 CO -0.28 0.25 -0.53 0.00 -1.07 0.00 0.00 179.97 178.34 1n8r h ALA 70 N 1.75 0.67 -0.00 0.04 0.00 0.02 -3.01 119.26 118.74 1n8r h ALA 70 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n8r h ALA 70 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n8r h ALA 70 CO 0.03 0.67 -0.46 1.17 0.00 0.00 0.00 179.25 180.66 1n8r n LYS 71 N -3.26 0.29 0.00 0.00 3.00 -0.24 -4.97 118.16 112.98 1n8r n LYS 71 Ca 0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1n8r n LYS 71 Cb 0.73 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1n8r n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n8r n GLY 72 N 1.45 0.86 3.99 3.14 0.00 -0.81 -5.08 105.19 108.74 1n8r n GLY 72 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1n8r n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n8r s HIS 73 N -2.00 3.16 -1.09 1.61 3.76 0.80 -4.65 115.29 116.88 1n8r s HIS 73 Ca 0.00 -0.18 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 1n8r s HIS 73 Cb 0.00 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1n8r s HIS 73 CO 0.00 0.05 0.93 1.04 -0.85 0.00 0.00 174.74 175.91 1n8r n GLN 74 N -1.62 -6.26 -0.94 1.40 6.02 -1.26 -3.51 117.38 111.21 1n8r n GLN 74 Ca -0.01 0.70 0.01 0.00 -0.01 0.00 0.00 57.00 57.69 1n8r n GLN 74 Cb 0.58 -5.32 0.00 0.00 1.02 0.00 0.00 30.24 26.52 1n8r n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1n8r n LYS 75 N -4.03 0.00 -1.42 -1.09 5.02 -1.26 -4.91 118.16 110.47 1n8r n LYS 75 Ca -0.08 -1.33 -0.29 0.00 -2.02 0.00 0.00 58.31 54.58 1n8r n LYS 75 Cb 0.58 -0.19 0.13 0.00 -0.02 0.00 0.00 35.03 35.53 1n8r n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1n8r s GLY 76 N -1.33 1.60 0.46 0.72 0.00 -1.26 -4.73 107.32 102.78 1n8r s GLY 76 Ca 0.14 -0.29 0.32 0.00 0.00 0.00 0.00 44.72 44.89 1n8r s GLY 76 CO -0.07 0.21 1.66 0.00 0.00 0.00 0.00 173.10 174.91 1n8r h ALA 77 N -1.42 2.89 0.00 3.20 0.00 -1.99 1.50 119.26 123.44 1n8r h ALA 77 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n8r h ALA 77 Cb 1.30 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1n8r h ALA 77 CO 0.59 -1.44 0.00 0.41 0.00 0.00 0.00 179.25 178.81 1n8r n GLY 78 N -1.61 -0.84 0.07 0.00 0.00 -1.26 -3.24 105.19 98.32 1n8r n GLY 78 Ca 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1n8r n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n8r n SER 79 N -1.02 1.04 -4.86 1.61 7.64 0.51 -5.01 113.62 113.53 1n8r n SER 79 Ca 0.19 -1.02 -0.34 0.00 1.01 0.00 0.00 58.87 58.71 1n8r n SER 79 Cb 0.10 0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1n8r n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1n8r s ARG 80 N -0.29 3.86 0.00 1.43 0.52 -1.14 -4.91 118.95 118.42 1n8r s ARG 80 Ca 0.02 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1n8r s ARG 80 Cb 0.02 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1n8r s ARG 80 CO 0.03 0.43 0.00 1.17 0.02 0.00 0.00 175.30 176.95 1n8r n LYS 81 N 0.42 0.42 -3.05 3.54 3.00 -1.26 -5.03 118.16 116.19 1n8r n LYS 81 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.02 1n8r n LYS 81 Cb 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 35.03 34.73 1n8r n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1n8r s GLY 82 N -3.40 1.47 0.92 3.14 0.00 -1.26 -5.06 107.32 103.14 1n8r s GLY 82 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 1n8r s GLY 82 CO 0.00 -0.58 1.14 1.25 0.00 0.00 0.00 173.10 174.91 1n8r s LYS 83 N -4.41 0.95 0.10 2.90 2.47 -1.26 -4.71 119.74 115.77 1n8r s LYS 83 Ca 0.44 1.51 -0.32 0.00 -1.56 0.00 0.00 55.97 56.04 1n8r s LYS 83 Cb -0.10 -1.72 -0.13 0.00 -1.46 0.00 0.00 37.83 34.42 1n8r s LYS 83 CO 0.39 -2.67 1.60 0.00 0.16 0.00 0.00 175.35 174.83 1n8r h ALA 84 N -1.90 -0.81 0.00 3.13 0.00 -1.97 -0.68 119.26 117.03 1n8r h ALA 84 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1n8r h ALA 84 Cb 1.27 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1n8r h ALA 84 CO 0.42 -1.00 0.17 0.41 0.00 0.00 0.00 179.25 179.25 1n8r n GLY 85 N -1.48 -0.62 0.14 0.00 0.00 -1.26 0.43 105.19 102.40 1n8r n GLY 85 Ca -0.09 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1n8r n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r h ALA 86 N 1.50 0.20 -0.08 4.61 0.00 -1.49 -3.30 119.26 120.70 1n8r h ALA 86 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 54.91 53.64 1n8r h ALA 86 Cb 0.34 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1n8r h ALA 86 CO 0.00 1.00 -0.46 0.00 0.00 0.00 0.00 179.25 179.79 1n8r h ARG 87 N -0.03 0.20 -3.05 0.00 3.08 0.94 -3.42 114.38 112.10 1n8r h ARG 87 Ca -0.34 -0.10 -0.29 0.00 0.07 0.00 0.00 59.98 59.32 1n8r h ARG 87 Cb 1.98 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 31.68 1n8r h ARG 87 CO 0.13 0.62 -0.63 -1.14 -1.07 0.00 0.00 179.97 177.89 1n8r s GLN 88 N -4.03 0.05 -0.41 0.04 0.74 -0.12 -5.11 119.66 110.83 1n8r s GLN 88 Ca -0.04 0.57 -0.28 0.00 0.05 0.00 0.00 55.36 55.66 1n8r s GLN 88 Cb 0.13 -0.28 -0.01 0.00 1.10 0.00 0.00 33.01 33.95 1n8r s GLN 88 CO 0.77 -0.32 1.65 1.21 -0.55 0.00 0.00 175.29 178.06 1n8r s ASN 89 N 2.31 5.98 0.28 6.67 3.84 -1.24 -4.25 114.94 128.54 1n8r s ASN 89 Ca 0.03 0.96 0.03 0.00 0.21 0.00 0.00 52.86 54.09 1n8r s ASN 89 Cb -0.12 -2.53 0.64 0.00 -0.55 0.00 0.00 41.25 38.69 1n8r s ASN 89 CO -0.06 -1.70 1.77 0.77 -2.79 0.00 0.00 177.10 175.09 1n8r h SER 90 N 12.27 0.66 -0.61 -4.21 4.64 -1.94 -0.05 113.55 124.32 1n8r h SER 90 Ca -0.30 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1n8r h SER 90 Cb 1.14 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1n8r h SER 90 CO 1.08 0.25 0.12 0.50 -0.87 0.00 0.00 176.83 177.91 1n8r h LYS 91 N 0.70 0.99 -0.56 4.77 3.11 -1.97 -1.54 116.57 122.08 1n8r h LYS 91 Ca 0.53 -0.26 -0.03 0.00 -2.81 0.00 0.00 60.65 58.08 1n8r h LYS 91 Cb 0.78 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.87 1n8r h LYS 91 CO -0.38 0.92 0.23 1.49 -2.81 0.00 0.00 179.45 178.91 1n8r h GLU 92 N 0.90 0.81 -0.16 1.90 4.81 -1.49 -1.24 114.58 120.11 1n8r h GLU 92 Ca 0.19 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.11 1n8r h GLU 92 Cb 0.40 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1n8r h GLU 92 CO 0.01 0.66 -0.68 0.22 -0.73 0.00 0.00 179.01 178.49 1n8r h ASP 93 N 0.80 0.74 0.03 1.04 3.58 -0.86 -2.11 116.42 119.64 1n8r h ASP 93 Ca 0.19 -0.45 -0.10 0.00 0.42 0.00 0.00 57.03 57.09 1n8r h ASP 93 Cb 0.15 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1n8r h ASP 93 CO -0.02 1.21 -0.31 -0.25 -2.88 0.00 0.00 179.24 177.00 1n8r h TRP 94 N 0.46 0.47 -0.39 0.28 2.91 -0.77 -0.51 115.95 118.40 1n8r h TRP 94 Ca -0.02 -0.11 -0.12 0.00 1.13 0.00 0.00 58.89 59.76 1n8r h TRP 94 Cb 1.27 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.79 1n8r h TRP 94 CO 0.06 0.68 -0.26 0.93 -1.03 0.00 0.00 178.44 178.83 1n8r h GLU 95 N 0.36 0.80 0.84 2.65 5.08 -1.16 -1.15 114.58 122.01 1n8r h GLU 95 Ca 0.05 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1n8r h GLU 95 Cb 0.72 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1n8r h GLU 95 CO 0.06 0.97 -0.41 1.03 -1.00 0.00 0.00 179.01 179.66 1n8r h SER 96 N 0.69 -0.96 0.04 1.42 0.87 -0.66 -2.44 113.55 112.50 1n8r h SER 96 Ca 0.09 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1n8r h SER 96 Cb 0.79 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1n8r h SER 96 CO 0.07 -0.66 -0.26 0.03 -0.53 0.00 0.00 176.83 175.47 1n8r h ARG 97 N -1.19 -0.34 -1.02 2.24 3.08 -1.10 -1.95 114.38 114.10 1n8r h ARG 97 Ca -0.12 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.22 1n8r h ARG 97 Cb 0.87 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.92 1n8r h ARG 97 CO 0.19 -0.23 0.68 0.97 -1.07 0.00 0.00 179.97 180.51 1n8r h ILE 98 N -0.36 0.54 -0.31 2.04 -0.00 -1.30 0.34 117.51 118.46 1n8r h ILE 98 Ca 0.00 -0.11 -0.17 0.00 -0.00 0.00 0.00 64.86 64.58 1n8r h ILE 98 Cb 0.37 0.19 -0.00 0.00 -0.00 0.00 0.00 36.82 37.38 1n8r h ILE 98 CO -0.16 0.06 -0.46 0.03 -0.00 0.00 0.00 178.15 177.62 1n8r h ARG 99 N 0.32 0.86 0.54 2.19 3.08 -1.14 -0.39 114.38 119.85 1n8r h ARG 99 Ca 0.56 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1n8r h ARG 99 Cb 1.54 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 1n8r h ARG 99 CO -0.22 1.15 -0.38 0.00 -1.07 0.00 0.00 179.97 179.45 1n8r h ALA 100 N 0.70 -0.92 -0.58 0.04 0.00 0.39 0.11 119.26 119.00 1n8r h ALA 100 Ca 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1n8r h ALA 100 Cb 1.06 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1n8r h ALA 100 CO 0.11 -1.04 0.39 1.96 0.00 0.00 0.00 179.25 180.66 1n8r h GLN 101 N -0.89 0.44 0.00 0.00 4.20 -1.08 0.22 115.11 118.00 1n8r h GLN 101 Ca -0.06 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 1n8r h GLN 101 Cb 0.74 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1n8r h GLN 101 CO 0.03 0.29 -0.83 0.00 -0.67 0.00 0.00 178.83 177.65 1n8r h ARG 102 N 0.45 0.00 -0.28 1.46 3.08 -0.65 -2.56 114.38 115.88 1n8r h ARG 102 Ca 0.26 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.13 1n8r h ARG 102 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1n8r h ARG 102 CO -0.07 0.83 -0.54 1.15 -1.07 0.00 0.00 179.97 180.27 1n8r h THR 103 N 0.00 1.28 0.66 2.04 2.02 0.34 -2.48 112.91 116.77 1n8r h THR 103 Ca -0.01 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 1n8r h THR 103 Cb 1.51 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1n8r h THR 103 CO 0.11 0.56 -0.44 0.50 0.37 0.00 0.00 175.52 176.63 1n8r h LYS 104 N 0.65 -1.00 -0.48 6.66 1.63 -0.94 -2.00 116.57 121.10 1n8r h LYS 104 Ca 0.02 0.07 0.14 0.00 -0.85 0.00 0.00 60.65 60.02 1n8r h LYS 104 Cb 1.14 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 1n8r h LYS 104 CO 0.12 -0.67 0.35 -0.07 -3.45 0.00 0.00 179.45 175.73 1n8r h LEU 105 N -1.04 0.00 -0.75 5.20 3.38 -1.52 -0.02 115.31 120.56 1n8r h LEU 105 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1n8r h LEU 105 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1n8r h LEU 105 CO 0.07 0.00 -0.47 -0.09 0.09 0.00 0.00 178.44 178.05 1n8r h ARG 106 N 0.00 0.38 0.12 1.13 2.43 -0.99 -2.24 114.38 115.22 1n8r h ARG 106 Ca 0.23 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1n8r h ARG 106 Cb 0.92 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1n8r h ARG 106 CO -0.00 0.77 -0.06 0.93 -1.51 0.00 0.00 179.97 180.10 1n8r h GLU 107 N 0.30 -0.16 -0.81 0.20 5.08 -0.29 -3.06 114.58 115.84 1n8r h GLU 107 Ca 0.02 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.58 1n8r h GLU 107 Cb 0.94 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1n8r h GLU 107 CO 0.08 0.32 0.55 -0.07 -1.00 0.00 0.00 179.01 178.89 1n8r h LEU 108 N -0.84 0.26 0.67 1.33 3.38 -1.44 0.15 115.31 118.81 1n8r h LEU 108 Ca -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1n8r h LEU 108 Cb 0.55 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1n8r h LEU 108 CO 0.03 0.11 -0.32 -0.09 0.09 0.00 0.00 178.44 178.26 1n8r h ARG 109 N 0.26 -0.87 -0.82 1.13 2.43 -1.40 -1.55 114.38 113.57 1n8r h ARG 109 Ca 0.40 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.73 1n8r h ARG 109 Cb 1.18 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.86 1n8r h ARG 109 CO -0.10 -0.58 0.46 -0.44 -1.51 0.00 0.00 179.97 177.80 1n8r h ASP 110 N -1.19 0.65 -0.00 -3.80 3.32 -1.32 0.13 116.42 114.21 1n8r h ASP 110 Ca -0.09 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1n8r h ASP 110 Cb 0.69 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1n8r h ASP 110 CO 0.15 0.37 0.06 -0.08 -1.72 0.00 0.00 179.24 178.03 1n8r h GLU 111 N 0.77 0.00 0.00 3.56 4.81 -0.73 -3.46 114.58 119.53 1n8r h GLU 111 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1n8r h GLU 111 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1n8r h GLU 111 CO -0.25 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.44 1n8r n GLY 112 N -1.12 2.04 0.29 1.92 0.00 0.44 -4.95 105.19 103.81 1n8r n GLY 112 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1n8r n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n8r h THR 113 N 0.00 0.66 -3.83 2.61 2.02 -1.50 -3.43 112.91 109.45 1n8r h THR 113 Ca 0.00 -0.04 -0.53 0.00 0.77 0.00 0.00 66.41 66.61 1n8r h THR 113 Cb 0.00 1.02 -0.31 0.00 -1.74 0.00 0.00 68.15 67.12 1n8r h THR 113 CO 0.00 0.01 -0.83 -0.76 0.37 0.00 0.00 175.52 174.31 1n8r s LEU 114 N -8.03 1.86 0.25 2.58 1.43 -1.10 -5.01 118.68 110.66 1n8r s LEU 114 Ca -0.05 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1n8r s LEU 114 Cb 0.15 -0.88 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 1n8r s LEU 114 CO 0.58 0.12 0.95 -0.94 0.23 0.00 0.00 176.35 177.30 1n8r s SER 115 N 0.14 7.59 0.00 2.29 1.04 -1.26 -4.52 113.70 118.98 1n8r s SER 115 Ca -0.05 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1n8r s SER 115 Cb -0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1n8r s SER 115 CO 0.02 0.12 0.27 -1.54 0.98 0.00 0.00 173.24 173.08 1n8r n SER 116 N 1.38 0.00 -0.09 7.02 3.41 -1.26 0.14 113.62 124.22 1n8r n SER 116 Ca -0.02 0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.53 1n8r n SER 116 Cb 0.47 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1n8r n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n8r n SER 117 N -0.77 1.45 -0.03 4.04 3.41 -1.26 -3.48 113.62 116.98 1n8r n SER 117 Ca 0.00 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 1n8r n SER 117 Cb 0.06 0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1n8r n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1n8r h GLN 118 N 0.00 0.17 -0.06 4.33 4.20 0.89 -2.08 115.11 122.56 1n8r h GLN 118 Ca -0.44 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.18 1n8r h GLN 118 Cb 1.91 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.65 1n8r h GLN 118 CO -0.00 0.76 -0.40 -0.92 -0.67 0.00 0.00 178.83 177.60 1n8r h TYR 119 N -0.39 -1.12 -0.87 2.96 3.20 -1.49 0.12 116.97 119.37 1n8r h TYR 119 Ca -0.01 0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.07 1n8r h TYR 119 Cb 0.78 0.50 -0.10 0.00 1.54 0.00 0.00 36.73 39.45 1n8r h TYR 119 CO 0.14 -0.47 0.43 -0.09 -1.64 0.00 0.00 178.16 176.53 1n8r h ARG 120 N -0.51 0.55 -0.11 1.82 9.65 -1.59 0.88 114.38 125.06 1n8r h ARG 120 Ca 0.06 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1n8r h ARG 120 Cb 0.62 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1n8r h ARG 120 CO -0.34 0.36 0.02 0.22 2.80 0.00 0.00 179.97 183.03 1n8r h ASP 121 N 0.56 0.17 -0.45 -3.80 1.82 -0.42 -2.34 116.42 111.97 1n8r h ASP 121 Ca 0.49 -0.26 -0.05 0.00 -0.39 0.00 0.00 57.03 56.83 1n8r h ASP 121 Cb 0.78 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 1n8r h ASP 121 CO -0.41 0.39 0.09 -0.07 -1.61 0.00 0.00 179.24 177.63 1n8r h LEU 122 N -0.05 0.70 0.24 2.28 3.38 0.61 -2.64 115.31 119.83 1n8r h LEU 122 Ca 0.03 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1n8r h LEU 122 Cb 0.29 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1n8r h LEU 122 CO 0.00 0.76 -0.46 0.22 0.09 0.00 0.00 178.44 179.05 1n8r h TYR 123 N 0.60 -1.31 -0.50 1.13 3.20 0.76 0.32 116.97 121.17 1n8r h TYR 123 Ca 0.14 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.18 1n8r h TYR 123 Cb 0.35 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1n8r h TYR 123 CO 0.02 -0.58 0.37 -0.44 -1.64 0.00 0.00 178.16 175.89 1n8r h ASP 124 N -0.78 0.00 0.89 -2.11 5.19 -1.38 0.17 116.42 118.40 1n8r h ASP 124 Ca -0.01 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 1n8r h ASP 124 Cb 0.75 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 1n8r h ASP 124 CO -0.20 0.00 -0.83 0.11 -3.12 0.00 0.00 179.24 175.21 1n8r h LYS 125 N 0.00 0.00 0.02 3.56 1.57 -0.87 -2.49 116.57 118.36 1n8r h LYS 125 Ca 0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1n8r h LYS 125 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1n8r h LYS 125 CO -0.00 0.83 -0.01 0.00 -0.57 0.00 0.00 179.45 179.70 1n8r h ALA 126 N 1.17 -0.02 -0.11 3.86 0.00 0.89 0.22 119.26 125.26 1n8r h ALA 126 Ca -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1n8r h ALA 126 Cb 1.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1n8r h ALA 126 CO 0.11 -0.14 0.22 0.78 0.00 0.00 0.00 179.25 180.22 1n8r h GLY 127 N -0.77 0.00 -1.86 0.00 0.00 -1.15 0.91 103.07 100.19 1n8r h GLY 127 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n8r h GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1n8r n GLY 128 N -1.29 1.38 3.18 4.60 0.00 -0.94 -4.93 105.19 107.18 1n8r n GLY 128 Ca 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1n8r n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 129 N 1.15 -0.28 0.06 -0.02 0.00 0.32 -4.95 105.19 101.46 1n8r n GLY 129 Ca 0.16 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1n8r n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n8r n GLU 130 N -3.98 0.36 -4.17 1.61 -0.58 0.05 -4.85 120.64 109.08 1n8r n GLU 130 Ca -0.14 0.05 -0.33 0.00 -0.42 0.00 0.00 57.16 56.32 1n8r n GLU 130 Cb 0.61 -1.67 -0.16 0.00 -0.57 0.00 0.00 31.44 29.65 1n8r n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1n8r s PHE 131 N -3.23 2.71 0.51 -0.32 0.40 -1.26 -5.00 117.98 111.79 1n8r s PHE 131 Ca 0.03 -1.58 0.28 0.00 -0.60 0.00 0.00 56.93 55.07 1n8r s PHE 131 Cb 0.13 -1.88 1.62 0.00 0.51 0.00 0.00 43.02 43.40 1n8r s PHE 131 CO 0.77 -0.77 2.16 -0.44 0.70 0.00 0.00 175.22 177.64 1n8r h ASP 132 N 7.88 0.00 -5.35 1.36 3.32 -1.92 -3.46 116.42 118.24 1n8r h ASP 132 Ca -0.44 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.81 1n8r h ASP 132 Cb 1.15 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 1n8r h ASP 132 CO 0.62 0.06 0.53 -0.94 -1.72 0.00 0.00 179.24 177.79 1n8r s SER 133 N -6.22 -0.17 0.15 6.45 1.04 -1.26 -4.98 113.70 108.71 1n8r s SER 133 Ca -0.04 -0.35 -0.20 0.00 0.48 0.00 0.00 55.95 55.84 1n8r s SER 133 Cb 0.14 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1n8r s SER 133 CO 0.57 -0.81 1.66 0.58 0.98 0.00 0.00 173.24 176.23 1n8r h VAL 134 N 2.00 0.58 -0.76 5.02 2.07 -1.90 0.29 116.25 123.55 1n8r h VAL 134 Ca -0.25 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.43 1n8r h VAL 134 Cb 1.23 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 1n8r h VAL 134 CO 0.26 0.00 0.28 0.00 0.02 0.00 0.00 177.57 178.12 1n8r h ALA 135 N 1.10 1.07 -0.56 1.67 0.00 -1.99 0.51 119.26 121.06 1n8r h ALA 135 Ca 0.14 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1n8r h ALA 135 Cb 0.32 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1n8r h ALA 135 CO -0.33 -0.26 0.17 0.22 0.00 0.00 0.00 179.25 179.05 1n8r h ASP 136 N 0.39 0.77 0.50 0.00 3.58 -1.62 -0.30 116.42 119.74 1n8r h ASP 136 Ca 0.43 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1n8r h ASP 136 Cb 0.70 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1n8r h ASP 136 CO -0.45 0.73 -0.24 0.25 -2.88 0.00 0.00 179.24 176.65 1n8r h LEU 137 N 0.81 -0.57 -0.58 2.28 5.85 0.19 -2.10 115.31 121.19 1n8r h LEU 137 Ca 0.18 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1n8r h LEU 137 Cb 0.24 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1n8r h LEU 137 CO -0.01 -0.28 0.05 -0.33 -0.34 0.00 0.00 178.44 177.53 1n8r h GLU 138 N -0.85 0.17 -0.23 1.25 5.08 -0.68 0.13 114.58 119.44 1n8r h GLU 138 Ca -0.07 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1n8r h GLU 138 Cb 0.59 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1n8r h GLU 138 CO 0.11 0.11 -0.20 0.00 -1.00 0.00 0.00 179.01 178.03 1n8r h ARG 139 N 0.17 -0.20 -0.63 2.33 3.08 -0.87 -1.68 114.38 116.58 1n8r h ARG 139 Ca 0.30 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.38 1n8r h ARG 139 Cb 0.47 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1n8r h ARG 139 CO -0.45 -0.13 0.41 -0.92 -1.07 0.00 0.00 179.97 177.80 1n8r h TYR 140 N -0.21 0.77 -0.91 3.04 3.20 -0.60 -2.26 116.97 120.00 1n8r h TYR 140 Ca 0.13 0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.23 1n8r h TYR 140 Cb 0.41 -0.26 -0.12 0.00 1.54 0.00 0.00 36.73 38.31 1n8r h TYR 140 CO -0.36 0.47 0.45 0.82 -1.64 0.00 0.00 178.16 177.89 1n8r h ILE 141 N 0.82 0.55 0.00 1.81 2.04 -0.10 0.45 117.51 123.08 1n8r h ILE 141 Ca 0.24 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1n8r h ILE 141 Cb -0.06 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 1n8r h ILE 141 CO -0.07 0.09 -0.04 0.47 0.00 0.00 0.00 178.15 178.60 1n8r n ASP 142 N -4.97 4.41 0.00 1.72 8.00 -0.85 -5.11 116.55 119.76 1n8r n ASP 142 Ca 0.22 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1n8r n ASP 142 Cb 0.61 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1n8r n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81