#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9r s LYS 3 N 0.00 2.58 -0.07 4.33 1.02 -1.26 -5.11 119.74 121.24 3d9r s LYS 3 Ca 0.00 -1.12 -0.22 0.00 0.02 0.00 0.00 55.97 54.65 3d9r s LYS 3 Cb 0.00 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3d9r s LYS 3 CO 0.00 -0.43 0.63 0.42 -0.92 0.00 0.00 175.35 175.05 3d9r s ILE 4 N 1.20 5.06 -0.16 2.17 1.09 -1.26 -5.06 121.20 124.24 3d9r s ILE 4 Ca -0.03 1.29 -0.29 0.00 -1.10 0.00 0.00 60.65 60.52 3d9r s ILE 4 Cb -0.17 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 37.26 3d9r s ILE 4 CO -0.08 0.29 1.06 0.12 -0.10 0.00 0.00 174.94 176.24 3d9r s PHE 5 N 0.61 3.35 -0.03 3.97 5.36 -1.26 -4.98 117.98 125.01 3d9r s PHE 5 Ca 0.34 1.46 -0.39 0.00 -0.96 0.00 0.00 56.93 57.37 3d9r s PHE 5 Cb -0.17 -3.27 -0.18 0.00 -0.34 0.00 0.00 43.02 39.05 3d9r s PHE 5 CO 0.16 -0.56 1.26 -1.71 -1.46 0.00 0.00 175.22 172.91 3d9r n ASN 6 N 5.70 0.90 -0.22 6.13 2.85 -1.26 -4.83 115.26 124.53 3d9r n ASN 6 Ca 0.11 1.14 0.02 0.00 -0.11 0.00 0.00 54.58 55.74 3d9r n ASN 6 Cb 0.47 -1.04 0.26 0.00 1.24 0.00 0.00 39.78 40.72 3d9r n ASN 6 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3d9r h GLU 7 N 4.06 0.95 -0.67 1.20 4.57 -2.01 -2.09 114.58 120.60 3d9r h GLU 7 Ca -0.49 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 57.55 3d9r h GLU 7 Cb 1.38 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3d9r h GLU 7 CO 0.75 0.63 0.10 0.93 -1.18 0.00 0.00 179.01 180.24 3d9r h GLU 8 N 0.98 1.12 -0.39 1.92 4.39 -2.01 -2.50 114.58 118.08 3d9r h GLU 8 Ca 0.29 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3d9r h GLU 8 Cb -0.03 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3d9r h GLU 8 CO -0.07 1.03 0.24 -0.07 -1.16 0.00 0.00 179.01 178.97 3d9r h LEU 9 N 1.04 0.46 -0.69 1.33 3.38 -1.75 -1.44 115.31 117.64 3d9r h LEU 9 Ca 0.20 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3d9r h LEU 9 Cb 0.46 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3d9r h LEU 9 CO 0.02 0.36 0.16 0.00 0.09 0.00 0.00 178.44 179.06 3d9r h ALA 10 N 1.72 0.91 -0.12 1.53 0.00 -1.07 -1.31 119.26 120.92 3d9r h ALA 10 Ca 0.14 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3d9r h ALA 10 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3d9r h ALA 10 CO -0.03 0.64 -0.75 0.28 0.00 0.00 0.00 179.25 179.40 3d9r h VAL 11 N 1.04 1.32 -0.13 0.00 2.07 -1.24 -2.11 116.25 117.21 3d9r h VAL 11 Ca 0.22 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3d9r h VAL 11 Cb 0.39 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3d9r h VAL 11 CO 0.00 0.63 0.06 0.40 0.02 0.00 0.00 177.57 178.68 3d9r h ILE 12 N 0.42 1.13 -0.69 4.57 2.04 -1.22 -2.17 117.51 121.59 3d9r h ILE 12 Ca -0.04 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3d9r h ILE 12 Cb 1.35 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3d9r h ILE 12 CO 0.14 0.12 0.44 -0.08 0.00 0.00 0.00 178.15 178.78 3d9r h GLU 13 N 0.07 0.85 -0.65 2.37 4.81 -1.22 -2.25 114.58 118.56 3d9r h GLU 13 Ca 0.04 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3d9r h GLU 13 Cb 0.14 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3d9r h GLU 13 CO -0.00 0.57 0.43 0.00 -0.73 0.00 0.00 179.01 179.27 3d9r h ALA 14 N 1.28 1.75 -0.24 2.92 0.00 -1.19 -0.41 119.26 123.38 3d9r h ALA 14 Ca 0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3d9r h ALA 14 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3d9r h ALA 14 CO -0.09 0.15 -0.14 0.00 0.00 0.00 0.00 179.25 179.16 3d9r h ALA 15 N 1.64 0.34 -0.49 0.00 0.00 -0.85 0.65 119.26 120.56 3d9r h ALA 15 Ca 0.28 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3d9r h ALA 15 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3d9r h ALA 15 CO -0.09 0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.65 3d9r h ALA 16 N 0.71 0.62 -0.03 0.00 0.00 -1.04 -2.89 119.26 116.62 3d9r h ALA 16 Ca 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3d9r h ALA 16 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3d9r h ALA 16 CO 0.04 -0.07 -0.34 0.82 0.00 0.00 0.00 179.25 179.70 3d9r h ILE 17 N 0.52 1.26 -0.68 0.00 2.04 -0.93 -2.34 117.51 117.37 3d9r h ILE 17 Ca 0.21 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.89 3d9r h ILE 17 Cb 0.08 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3d9r h ILE 17 CO -0.12 0.35 0.41 0.00 0.00 0.00 0.00 178.15 178.79 3d9r h ALA 18 N 1.61 0.90 0.24 1.87 0.00 -0.66 -1.43 119.26 121.79 3d9r h ALA 18 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3d9r h ALA 18 Cb 0.63 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d9r h ALA 18 CO 0.05 0.14 -0.14 -0.92 0.00 0.00 0.00 179.25 178.38 3d9r h TYR 19 N 0.78 -0.35 -0.79 0.00 3.20 -1.37 -1.95 116.97 116.49 3d9r h TYR 19 Ca 0.28 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.17 3d9r h TYR 19 Cb 0.08 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3d9r h TYR 19 CO -0.06 -0.22 0.52 -0.07 -1.64 0.00 0.00 178.16 176.70 3d9r h LEU 20 N -0.36 0.87 0.24 2.82 3.38 -0.99 0.71 115.31 121.98 3d9r h LEU 20 Ca -0.03 -0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 3d9r h LEU 20 Cb 0.29 -0.21 0.04 0.00 0.09 0.00 0.00 40.66 40.87 3d9r h LEU 20 CO 0.04 0.62 -1.46 0.71 0.09 0.00 0.00 178.44 178.43 3d9r h THR 21 N 1.02 1.29 -0.89 0.22 1.35 -1.33 -2.06 112.91 112.51 3d9r h THR 21 Ca 0.30 -2.69 0.09 0.00 -0.55 0.00 0.00 66.41 63.56 3d9r h THR 21 Cb -0.04 3.02 -0.07 0.00 -1.73 0.00 0.00 68.15 69.32 3d9r h THR 21 CO -0.08 0.81 0.54 0.00 -0.25 0.00 0.00 175.52 176.54 3d9r h ALA 22 N 0.17 1.27 -0.42 6.62 0.00 -0.90 -0.57 119.26 125.43 3d9r h ALA 22 Ca -0.25 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3d9r h ALA 22 Cb 2.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3d9r h ALA 22 CO 0.27 0.21 0.01 0.35 0.00 0.00 0.00 179.25 180.09 3d9r h PHE 23 N 0.92 0.80 0.00 0.00 3.57 -0.88 -0.95 116.94 120.40 3d9r h PHE 23 Ca 0.42 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3d9r h PHE 23 Cb 0.32 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3d9r h PHE 23 CO -0.04 0.80 0.00 -0.97 -2.23 0.00 0.00 178.31 175.87 3d9r h ASN 24 N 0.57 0.00 0.48 0.41 -1.24 -0.73 0.13 115.58 115.20 3d9r h ASN 24 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3d9r h ASN 24 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 3d9r h ASN 24 CO 0.02 0.00 -0.10 0.54 -1.29 0.00 0.00 177.43 176.60 3d9r n ARG 25 N -2.96 0.51 -3.85 6.67 1.74 -0.28 -4.96 116.66 113.53 3d9r n ARG 25 Ca 0.02 -0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 3d9r n ARG 25 Cb 0.37 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.35 3d9r n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9r n ALA 26 N -1.12 -1.36 -3.38 7.54 0.00 0.46 -4.93 120.51 117.71 3d9r n ALA 26 Ca 0.13 0.19 -0.45 0.00 0.00 0.00 0.00 53.44 53.31 3d9r n ALA 26 Cb 0.28 -4.39 -0.05 0.00 0.00 0.00 0.00 19.45 15.29 3d9r n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d9r s ASP 27 N -3.42 6.20 0.07 0.00 -1.08 -0.41 -4.96 116.67 113.07 3d9r s ASP 27 Ca 0.59 -2.10 -0.19 0.00 -0.52 0.00 0.00 52.55 50.33 3d9r s ASP 27 Cb -0.29 -2.15 -0.10 0.00 -1.46 0.00 0.00 42.92 38.92 3d9r s ASP 27 CO 0.81 -0.73 1.48 0.40 0.52 0.00 0.00 175.17 177.66 3d9r h ILE 28 N 5.62 1.27 -0.55 4.11 2.04 -1.92 -0.55 117.51 127.54 3d9r h ILE 28 Ca -0.16 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 3d9r h ILE 28 Cb 1.07 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3d9r h ILE 28 CO 0.92 0.29 0.31 -0.65 0.00 0.00 0.00 178.15 179.02 3d9r h PRO 29 N 0.14 0.75 -0.27 2.37 0.11 -1.98 0.33 132.00 133.45 3d9r h PRO 29 Ca 0.06 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 3d9r h PRO 29 Cb 0.45 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3d9r h PRO 29 CO 0.02 0.55 -0.34 0.00 -0.21 0.00 0.00 178.00 178.02 3d9r h ALA 30 N 1.58 0.91 0.29 -0.75 0.00 -1.89 -1.59 119.26 117.80 3d9r h ALA 30 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3d9r h ALA 30 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3d9r h ALA 30 CO -0.03 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 179.98 3d9r h VAL 31 N 0.49 0.75 -0.94 0.00 2.07 -0.52 -3.16 116.25 114.95 3d9r h VAL 31 Ca 0.06 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3d9r h VAL 31 Cb 0.82 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3d9r h VAL 31 CO 0.07 0.06 0.58 0.40 0.02 0.00 0.00 177.57 178.70 3d9r h ILE 32 N -0.53 1.00 0.00 4.57 1.08 -0.91 -2.09 117.51 120.62 3d9r h ILE 32 Ca -0.04 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3d9r h ILE 32 Cb 0.39 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 3d9r h ILE 32 CO 0.06 0.18 0.00 0.00 -0.69 0.00 0.00 178.15 177.71 3d9r h ALA 33 N 1.47 1.00 0.00 1.87 0.00 -1.28 -1.96 119.26 120.35 3d9r h ALA 33 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3d9r h ALA 33 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3d9r h ALA 33 CO -0.21 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.29 3d9r n THR 34 N -2.40 0.31 -3.85 0.00 -2.24 -0.79 -4.86 114.28 100.45 3d9r n THR 34 Ca 0.01 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 3d9r n THR 34 Cb 0.21 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 3d9r n THR 34 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3d9r s TYR 35 N -3.04 3.50 1.09 4.78 2.02 -0.74 -0.66 117.35 124.30 3d9r s TYR 35 Ca 0.12 0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 57.00 3d9r s TYR 35 Cb 0.16 -1.81 0.24 0.00 -0.40 0.00 0.00 41.96 40.15 3d9r s TYR 35 CO 0.51 0.53 1.07 0.95 -1.57 0.00 0.00 175.55 177.04 3d9r s THR 36 N -1.60 2.03 0.37 -0.71 -4.23 -0.43 -4.79 115.64 106.28 3d9r s THR 36 Ca 0.36 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 61.06 3d9r s THR 36 Cb -0.12 -2.04 0.16 0.00 1.34 0.00 0.00 72.50 71.84 3d9r s THR 36 CO 0.27 -0.01 1.90 0.44 -0.54 0.00 0.00 174.62 176.69 3d9r h ASP 37 N -2.41 0.00 -0.56 3.99 3.32 -1.96 -2.23 116.42 116.58 3d9r h ASP 37 Ca -0.56 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.22 3d9r h ASP 37 Cb 1.31 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.70 3d9r h ASP 37 CO 0.47 0.28 0.16 -0.90 -1.72 0.00 0.00 179.24 177.53 3d9r n ASP 38 N -3.96 3.00 -4.74 6.45 5.68 -1.26 -3.26 116.55 118.47 3d9r n ASP 38 Ca -0.02 -3.68 -0.35 0.00 -0.50 0.00 0.00 54.79 50.24 3d9r n ASP 38 Cb 0.35 -0.70 0.07 0.00 -1.14 0.00 0.00 41.12 39.70 3d9r n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3d9r s GLY 39 N -2.08 2.55 -0.07 6.12 0.00 -0.84 -4.36 107.32 108.63 3d9r s GLY 39 Ca 0.49 0.96 0.05 0.00 0.00 0.00 0.00 44.72 46.21 3d9r s GLY 39 CO 0.04 1.36 -0.21 0.14 0.00 0.00 0.00 173.10 174.43 3d9r s VAL 40 N -1.78 1.78 0.45 1.40 1.01 -0.55 -0.49 120.40 122.23 3d9r s VAL 40 Ca 0.76 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3d9r s VAL 40 Cb -0.30 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3d9r s VAL 40 CO 0.40 0.50 0.37 -0.11 0.00 0.00 0.00 175.10 176.26 3d9r n LEU 41 N 3.28 0.00 0.00 3.92 7.94 -0.68 -1.01 117.00 130.45 3d9r n LEU 41 Ca -0.19 -2.31 0.00 0.00 -1.11 0.00 0.00 56.01 52.41 3d9r n LEU 41 Cb 0.52 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.41 3d9r n LEU 41 CO 0.26 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 3d9r n GLY 43 N -0.44 3.91 3.77 -3.96 0.00 -1.26 -1.48 105.19 105.73 3d9r n GLY 43 Ca -0.00 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3d9r n GLY 43 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3d9r s PRO 44 N -2.60 3.98 0.00 1.61 0.02 -1.25 -3.20 135.00 133.56 3d9r s PRO 44 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3d9r s PRO 44 Cb 0.00 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.86 3d9r s PRO 44 CO 0.00 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3d9r n GLY 45 N 0.63 0.87 3.06 0.52 0.00 -1.26 -5.00 105.19 104.02 3d9r n GLY 45 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3d9r n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d9r s ARG 46 N -0.08 0.29 0.83 1.61 0.52 -1.19 -5.15 118.95 115.78 3d9r s ARG 46 Ca 0.00 -0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 3d9r s ARG 46 Cb 0.00 0.13 0.09 0.00 0.52 0.00 0.00 34.95 35.69 3d9r s ARG 46 CO 0.00 -0.06 1.09 -1.25 0.02 0.00 0.00 175.30 175.11 3d9r s PRO 47 N -0.47 1.76 0.24 3.54 0.04 -1.26 -4.48 135.00 134.38 3d9r s PRO 47 Ca -0.06 0.90 -0.31 0.00 0.04 0.00 0.00 61.00 61.57 3d9r s PRO 47 Cb -0.04 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 3d9r s PRO 47 CO 0.01 -1.91 1.38 0.00 0.04 0.00 0.00 177.00 176.51 3d9r n ALA 48 N -3.67 0.94 -2.55 8.56 0.00 -1.26 -4.87 120.51 117.66 3d9r n ALA 48 Ca 0.08 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 3d9r n ALA 48 Cb 0.55 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 3d9r n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d9r s ALA 49 N -0.12 3.51 -0.25 0.00 0.00 -0.55 -4.97 121.76 119.38 3d9r s ALA 49 Ca 0.68 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 3d9r s ALA 49 Cb -0.66 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3d9r s ALA 49 CO 0.50 -0.90 0.00 0.08 0.00 0.00 0.00 175.76 175.44 3d9r s VAL 50 N 1.87 3.52 0.00 0.00 1.01 -1.26 -1.68 120.40 123.85 3d9r s VAL 50 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3d9r s VAL 50 Cb -0.17 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3d9r s VAL 50 CO 0.11 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3d9r n GLY 51 N 4.80 0.97 0.30 4.51 0.00 0.36 -4.39 105.19 111.74 3d9r n GLY 51 Ca -0.16 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.12 3d9r n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d9r h LYS 52 N 0.00 0.63 -0.12 1.61 1.57 -1.81 -0.56 116.57 117.88 3d9r h LYS 52 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3d9r h LYS 52 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3d9r h LYS 52 CO 0.00 0.50 0.06 -0.44 -0.57 0.00 0.00 179.45 179.01 3d9r h ASP 53 N 0.64 0.16 -0.53 0.86 3.32 -1.91 -0.64 116.42 118.31 3d9r h ASP 53 Ca 0.16 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3d9r h ASP 53 Cb 0.09 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3d9r h ASP 53 CO -0.02 0.22 0.01 -0.33 -1.72 0.00 0.00 179.24 177.40 3d9r h GLU 54 N 0.09 0.93 -0.30 3.56 5.08 -1.69 -2.33 114.58 119.91 3d9r h GLU 54 Ca 0.04 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3d9r h GLU 54 Cb 0.10 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3d9r h GLU 54 CO -0.01 0.94 0.07 -0.07 -1.00 0.00 0.00 179.01 178.94 3d9r h LEU 55 N 0.80 0.03 -0.32 1.33 3.38 -1.01 -1.87 115.31 117.65 3d9r h LEU 55 Ca 0.15 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3d9r h LEU 55 Cb 0.52 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3d9r h LEU 55 CO 0.03 0.05 0.18 0.00 0.09 0.00 0.00 178.44 178.79 3d9r h ALA 56 N 1.22 0.40 -0.95 1.53 0.00 -1.09 -1.72 119.26 118.65 3d9r h ALA 56 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d9r h ALA 56 Cb 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3d9r h ALA 56 CO -0.18 -0.08 0.63 0.93 0.00 0.00 0.00 179.25 180.55 3d9r h GLU 57 N 0.40 1.24 -0.18 0.00 4.39 -1.24 -1.55 114.58 117.63 3d9r h GLU 57 Ca 0.11 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 3d9r h GLU 57 Cb 0.04 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3d9r h GLU 57 CO -0.02 0.82 -0.33 0.28 -1.16 0.00 0.00 179.01 178.60 3d9r h VAL 58 N 1.27 1.34 -0.77 3.13 2.07 -1.13 -2.62 116.25 119.55 3d9r h VAL 58 Ca 0.35 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3d9r h VAL 58 Cb -0.12 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3d9r h VAL 58 CO -0.08 0.48 0.37 1.88 0.02 0.00 0.00 177.57 180.23 3d9r h TYR 59 N 0.19 1.11 -0.76 1.57 0.05 -1.18 -0.73 116.97 117.22 3d9r h TYR 59 Ca 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3d9r h TYR 59 Cb 0.92 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 3d9r h TYR 59 CO 0.09 0.81 0.43 1.25 -1.05 0.00 0.00 178.16 179.69 3d9r h LEU 60 N 1.09 0.94 -0.49 3.88 5.85 -1.28 -0.62 115.31 124.68 3d9r h LEU 60 Ca 0.27 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3d9r h LEU 60 Cb 0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3d9r h LEU 60 CO -0.03 0.75 -0.32 -1.28 -0.34 0.00 0.00 178.44 177.21 3d9r h SER 61 N 1.06 0.94 -0.02 1.25 0.87 -1.02 -1.37 113.55 115.25 3d9r h SER 61 Ca 0.27 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3d9r h SER 61 Cb 0.01 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 3d9r h SER 61 CO -0.05 1.17 0.02 0.58 -0.53 0.00 0.00 176.83 178.03 3d9r h VAL 62 N 0.75 1.01 0.00 2.23 2.07 -0.58 -2.51 116.25 119.23 3d9r h VAL 62 Ca 0.08 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3d9r h VAL 62 Cb 0.90 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3d9r h VAL 62 CO 0.08 0.01 -0.23 -0.26 0.02 0.00 0.00 177.57 177.19 3d9r h PHE 63 N 0.02 0.00 -0.18 1.57 0.04 -1.11 0.23 116.94 117.50 3d9r h PHE 63 Ca 0.01 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 3d9r h PHE 63 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3d9r h PHE 63 CO -0.07 0.23 -0.37 0.93 -0.60 0.00 0.00 178.31 178.43 3d9r h GLU 64 N 0.00 0.40 0.08 1.51 5.08 -1.20 -3.36 114.58 117.10 3d9r h GLU 64 Ca -0.00 -0.18 -0.30 0.00 -1.00 0.00 0.00 59.36 57.87 3d9r h GLU 64 Cb 0.93 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3d9r h GLU 64 CO 0.03 0.72 -1.63 1.15 -1.00 0.00 0.00 179.01 178.27 3d9r h THR 65 N 0.34 0.81 -4.15 1.13 2.02 -0.93 -3.45 112.91 108.68 3d9r h THR 65 Ca 0.04 -2.30 -0.46 0.00 0.77 0.00 0.00 66.41 64.45 3d9r h THR 65 Cb 0.81 2.46 -0.29 0.00 -1.74 0.00 0.00 68.15 69.40 3d9r h THR 65 CO 0.07 0.67 -0.80 -0.69 0.37 0.00 0.00 175.52 175.13 3d9r s VAL 66 N -2.48 1.00 -0.22 3.16 1.01 0.01 -0.63 120.40 122.25 3d9r s VAL 66 Ca -0.24 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3d9r s VAL 66 Cb 0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3d9r s VAL 66 CO 0.71 0.27 0.13 -0.83 0.00 0.00 0.00 175.10 175.38 3d9r s GLY 67 N -0.33 1.95 -0.11 4.51 0.00 0.08 -4.32 107.32 109.10 3d9r s GLY 67 Ca 0.05 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 3d9r s GLY 67 CO -0.00 0.30 0.08 -1.36 0.00 0.00 0.00 173.10 172.11 3d9r s PHE 68 N 0.87 3.40 -0.07 1.90 0.08 -1.26 -0.34 117.98 122.56 3d9r s PHE 68 Ca 0.06 0.37 0.02 0.00 0.12 0.00 0.00 56.93 57.50 3d9r s PHE 68 Cb -0.13 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 3d9r s PHE 68 CO 0.03 0.60 -0.11 0.34 -0.10 0.00 0.00 175.22 175.98 3d9r s ASP 69 N -0.90 1.81 0.03 1.36 -1.08 -0.27 -4.99 116.67 112.63 3d9r s ASP 69 Ca 0.14 -0.29 0.03 0.00 -0.52 0.00 0.00 52.55 51.91 3d9r s ASP 69 Cb -0.12 -0.82 -0.02 0.00 -1.46 0.00 0.00 42.92 40.51 3d9r s ASP 69 CO 0.03 0.00 -0.10 0.00 0.52 0.00 0.00 175.17 175.62 3d9r s ALA 71 N 0.86 0.84 0.31 3.66 0.00 -0.13 -1.05 121.76 126.24 3d9r s ALA 71 Ca -0.11 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.24 3d9r s ALA 71 Cb -0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3d9r s ALA 71 CO 0.01 0.12 0.06 1.52 0.00 0.00 0.00 175.76 177.48 3d9r s TYR 72 N -0.89 2.69 -0.15 0.00 -0.85 -1.26 -1.04 117.35 115.86 3d9r s TYR 72 Ca -0.02 -0.31 -0.06 0.00 -0.52 0.00 0.00 57.07 56.15 3d9r s TYR 72 Cb -0.07 -1.42 0.06 0.00 0.38 0.00 0.00 41.96 40.91 3d9r s TYR 72 CO 0.01 0.48 0.33 -2.00 -1.52 0.00 0.00 175.55 172.85 3d9r s GLU 73 N -3.76 0.26 -0.17 -3.49 2.12 0.63 -4.96 118.70 109.33 3d9r s GLU 73 Ca 0.34 0.77 -0.24 0.00 0.36 0.00 0.00 54.97 56.20 3d9r s GLU 73 Cb -0.04 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 3d9r s GLU 73 CO 0.21 -0.22 0.80 0.42 -0.54 0.00 0.00 175.26 175.93 3d9r s ILE 74 N 1.95 4.90 -0.23 -3.70 -1.09 -1.26 -1.09 121.20 120.68 3d9r s ILE 74 Ca -0.05 1.56 0.06 0.00 -2.23 0.00 0.00 60.65 59.99 3d9r s ILE 74 Cb -0.11 -4.10 -0.18 0.00 -1.58 0.00 0.00 42.46 36.49 3d9r s ILE 74 CO -0.11 0.04 -0.14 0.29 -1.23 0.00 0.00 174.94 173.79 3d9r n LYS 75 N 5.21 0.68 -3.51 2.79 4.76 0.91 -4.98 118.16 124.02 3d9r n LYS 75 Ca 0.03 0.10 -0.18 0.00 -2.87 0.00 0.00 58.31 55.40 3d9r n LYS 75 Cb 0.49 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 3d9r n LYS 75 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3d9r s GLU 76 N -2.48 1.07 -0.15 1.97 -1.05 -0.93 -4.95 118.70 112.18 3d9r s GLU 76 Ca -0.27 0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.75 3d9r s GLU 76 Cb 0.08 0.51 0.04 0.00 -0.44 0.00 0.00 34.13 34.31 3d9r s GLU 76 CO 0.62 -0.35 -0.05 0.08 0.95 0.00 0.00 175.26 176.52 3d9r s VAL 77 N -1.37 1.01 -0.07 1.83 1.01 -1.26 -0.87 120.40 120.67 3d9r s VAL 77 Ca -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3d9r s VAL 77 Cb -0.00 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3d9r s VAL 77 CO 0.08 0.15 -0.07 -0.69 0.00 0.00 0.00 175.10 174.57 3d9r s VAL 78 N 1.68 0.83 -0.19 2.92 1.01 -0.07 -5.02 120.40 121.56 3d9r s VAL 78 Ca 0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3d9r s VAL 78 Cb -0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3d9r s VAL 78 CO -0.08 0.31 0.37 -1.58 0.00 0.00 0.00 175.10 174.12 3d9r s GLN 79 N 1.21 4.20 -0.15 2.72 0.74 -1.26 0.07 119.66 127.19 3d9r s GLN 79 Ca -0.05 0.18 0.17 0.00 0.05 0.00 0.00 55.36 55.71 3d9r s GLN 79 Cb -0.14 -3.50 -0.25 0.00 1.10 0.00 0.00 33.01 30.22 3d9r s GLN 79 CO -0.02 0.05 0.15 0.25 -0.55 0.00 0.00 175.29 175.17 3d9r n THR 80 N 4.10 0.98 -3.96 -0.34 -2.24 -0.22 -4.96 114.28 107.64 3d9r n THR 80 Ca -0.09 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 60.86 3d9r n THR 80 Cb 0.51 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3d9r n THR 80 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d9r s SER 81 N -5.06 0.36 0.31 3.42 1.04 -1.10 -4.99 113.70 107.68 3d9r s SER 81 Ca -0.09 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.19 3d9r s SER 81 Cb 0.07 0.72 0.82 0.00 0.10 0.00 0.00 66.02 67.73 3d9r s SER 81 CO 0.78 -1.42 1.73 0.00 0.98 0.00 0.00 173.24 175.31 3d9r h ALA 82 N 2.08 1.69 -0.19 5.32 0.00 -2.04 -2.92 119.26 123.21 3d9r h ALA 82 Ca -0.29 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3d9r h ALA 82 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3d9r h ALA 82 CO 0.38 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 3d9r n ASP 83 N -4.89 2.45 -3.98 0.00 8.00 -1.26 -4.87 116.55 112.00 3d9r n ASP 83 Ca 0.25 -1.92 -0.14 0.00 0.71 0.00 0.00 54.79 53.69 3d9r n ASP 83 Cb 0.68 -0.12 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 3d9r n ASP 83 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3d9r s TRP 84 N -0.95 0.43 0.18 1.24 0.52 -1.10 -0.98 118.94 118.27 3d9r s TRP 84 Ca 0.13 -0.25 -0.16 0.00 0.02 0.00 0.00 56.10 55.84 3d9r s TRP 84 Cb 0.07 -0.27 0.02 0.00 -1.15 0.00 0.00 33.47 32.14 3d9r s TRP 84 CO 0.09 -0.05 0.48 0.00 0.02 0.00 0.00 176.95 177.49 3d9r s ALA 85 N -0.62 -0.83 0.04 0.98 0.00 -0.45 -1.06 121.76 119.83 3d9r s ALA 85 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3d9r s ALA 85 Cb -0.05 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3d9r s ALA 85 CO -0.00 -0.76 -0.10 -0.59 0.00 0.00 0.00 175.76 174.31 3d9r s PHE 86 N -3.87 0.89 -0.02 0.00 -0.12 0.11 -0.65 117.98 114.32 3d9r s PHE 86 Ca 0.09 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 56.61 3d9r s PHE 86 Cb -0.00 -0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 3d9r s PHE 86 CO -0.04 -0.02 -0.20 0.08 -0.05 0.00 0.00 175.22 174.99 3d9r s VAL 87 N -1.13 1.56 -0.07 -2.49 1.01 -0.59 -0.89 120.40 117.79 3d9r s VAL 87 Ca -0.05 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3d9r s VAL 87 Cb -0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3d9r s VAL 87 CO 0.01 0.44 -0.21 -0.60 0.00 0.00 0.00 175.10 174.74 3d9r s ARG 88 N -0.43 2.75 0.24 2.72 3.52 -0.05 -0.74 118.95 126.95 3d9r s ARG 88 Ca 0.07 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 3d9r s ARG 88 Cb -0.08 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3d9r s ARG 88 CO -0.01 0.36 0.18 -1.54 -0.81 0.00 0.00 175.30 173.48 3d9r s SER 89 N -0.09 0.56 0.01 -2.12 1.04 -0.40 -0.06 113.70 112.64 3d9r s SER 89 Ca -0.05 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.90 3d9r s SER 89 Cb -0.14 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 3d9r s SER 89 CO 0.04 -0.91 -0.02 0.00 0.98 0.00 0.00 173.24 173.34 3d9r s ALA 90 N -3.96 0.14 0.07 5.32 0.00 -0.25 -0.85 121.76 122.23 3d9r s ALA 90 Ca 0.39 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.20 3d9r s ALA 90 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3d9r s ALA 90 CO 0.16 -0.02 -0.20 0.95 0.00 0.00 0.00 175.76 176.65 3d9r s THR 91 N -0.45 1.63 -0.01 0.00 -4.23 0.08 -0.27 115.64 112.39 3d9r s THR 91 Ca -0.04 -1.34 -0.17 0.00 -1.18 0.00 0.00 61.69 58.96 3d9r s THR 91 Cb -0.03 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.39 3d9r s THR 91 CO -0.00 0.06 0.36 -1.83 -0.54 0.00 0.00 174.62 172.67 3d9r s GLU 92 N -1.52 0.74 0.00 3.99 -1.05 -0.20 -1.18 118.70 119.48 3d9r s GLU 92 Ca 0.06 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 3d9r s GLU 92 Cb -0.09 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 3d9r s GLU 92 CO 0.03 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.43 3d9r n GLY 93 N 1.14 -0.55 3.44 -3.83 0.00 0.39 -0.96 105.19 104.82 3d9r n GLY 93 Ca -0.21 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3d9r n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d9r s THR 94 N -2.85 2.24 -0.09 2.61 -4.23 -0.21 -0.48 115.64 112.63 3d9r s THR 94 Ca 0.00 -2.34 0.01 0.00 -1.18 0.00 0.00 61.69 58.18 3d9r s THR 94 Cb 0.00 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.61 3d9r s THR 94 CO 0.00 -0.44 -0.09 -0.70 -0.54 0.00 0.00 174.62 172.85 3d9r s GLU 95 N -3.56 1.51 -0.17 3.99 2.12 0.21 -1.12 118.70 121.69 3d9r s GLU 95 Ca 0.28 -0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 3d9r s GLU 95 Cb -0.03 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.87 3d9r s GLU 95 CO 0.13 -0.16 -0.00 0.99 -0.54 0.00 0.00 175.26 175.68 3d9r s THR 96 N 1.32 4.21 -0.14 -1.70 2.01 0.54 -0.67 115.64 121.22 3d9r s THR 96 Ca -0.03 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3d9r s THR 96 Cb -0.14 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3d9r s THR 96 CO -0.04 0.48 1.15 0.21 -0.69 0.00 0.00 174.62 175.74 3d9r s ASN 97 N 0.37 7.06 0.47 3.53 3.84 -0.75 -0.74 114.94 128.71 3d9r s ASN 97 Ca -0.02 1.63 0.27 0.00 0.21 0.00 0.00 52.86 54.96 3d9r s ASN 97 Cb -0.14 -2.55 0.89 0.00 -0.55 0.00 0.00 41.25 38.91 3d9r s ASN 97 CO 0.02 -0.64 1.81 0.11 -2.79 0.00 0.00 177.10 175.61 3d9r h LYS 98 N 7.63 0.00 0.33 0.43 1.57 -1.17 0.36 116.57 125.72 3d9r h LYS 98 Ca -0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3d9r h LYS 98 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3d9r h LYS 98 CO 0.93 0.12 -0.16 0.00 -0.57 0.00 0.00 179.45 179.77 3d9r h ALA 99 N 1.88 -0.44 0.00 3.86 0.00 -1.90 -3.39 119.26 119.27 3d9r h ALA 99 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3d9r h ALA 99 Cb 0.77 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3d9r h ALA 99 CO 0.02 -0.42 -1.00 1.79 0.00 0.00 0.00 179.25 179.64 3d9r h THR 100 N -1.10 0.32 0.00 0.00 1.35 -1.94 -3.48 112.91 108.07 3d9r h THR 100 Ca -0.04 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 3d9r h THR 100 Cb 0.38 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3d9r h THR 100 CO 0.07 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3d9r n GLY 101 N 1.26 0.98 3.65 5.82 0.00 0.13 -5.01 105.19 112.01 3d9r n GLY 101 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3d9r n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d9r s VAL 102 N -3.42 3.85 -0.18 1.61 1.01 -1.25 -4.70 120.40 117.33 3d9r s VAL 102 Ca 0.00 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 3d9r s VAL 102 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3d9r s VAL 102 CO 0.00 -0.19 0.50 -0.69 0.00 0.00 0.00 175.10 174.72 3d9r s VAL 103 N 4.30 5.13 0.09 2.92 1.01 -1.26 -1.81 120.40 130.78 3d9r s VAL 103 Ca 0.66 0.94 0.05 0.00 0.00 0.00 0.00 61.98 63.64 3d9r s VAL 103 Cb -0.26 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3d9r s VAL 103 CO 0.25 0.22 -0.14 0.42 0.00 0.00 0.00 175.10 175.85 3d9r s THR 104 N 1.32 1.17 0.47 3.92 -4.23 0.16 -4.96 115.64 113.47 3d9r s THR 104 Ca 0.24 -1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 59.06 3d9r s THR 104 Cb -0.15 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.38 3d9r s THR 104 CO 0.10 -0.31 1.21 -2.16 -0.54 0.00 0.00 174.62 172.92 3d9r s PRO 105 N -2.10 3.69 -0.03 3.99 0.04 -1.26 -0.62 135.00 138.71 3d9r s PRO 105 Ca 0.02 1.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 3d9r s PRO 105 Cb -0.08 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 32.05 3d9r s PRO 105 CO 0.02 -0.64 0.21 0.00 0.04 0.00 0.00 177.00 176.63 3d9r s ALA 106 N -1.47 -0.51 -0.14 8.56 0.00 0.37 -4.16 121.76 124.40 3d9r s ALA 106 Ca 0.64 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 3d9r s ALA 106 Cb -0.31 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.79 3d9r s ALA 106 CO 0.38 -0.19 0.36 0.00 0.00 0.00 0.00 175.76 176.31 3d9r s ALA 107 N -0.86 -0.89 0.09 0.00 0.00 -1.04 -0.46 121.76 118.60 3d9r s ALA 107 Ca -0.09 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3d9r s ALA 107 Cb -0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3d9r s ALA 107 CO 0.02 -0.22 -0.04 0.71 0.00 0.00 0.00 175.76 176.23 3d9r s TYR 108 N 0.98 0.76 0.02 0.00 1.51 -0.32 -0.68 117.35 119.62 3d9r s TYR 108 Ca -0.06 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.02 3d9r s TYR 108 Cb -0.07 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 3d9r s TYR 108 CO -0.08 -0.28 -0.12 1.14 -1.11 0.00 0.00 175.55 175.11 3d9r s GLN 109 N -3.89 0.88 -0.00 -0.62 -2.07 -0.66 -0.74 119.66 112.56 3d9r s GLN 109 Ca 0.12 -0.59 0.03 0.00 -1.82 0.00 0.00 55.36 53.10 3d9r s GLN 109 Cb 0.07 -0.86 -0.01 0.00 -1.09 0.00 0.00 33.01 31.12 3d9r s GLN 109 CO -0.06 0.22 -0.09 -1.21 -1.32 0.00 0.00 175.29 172.84 3d9r s GLU 110 N -0.76 0.68 -0.15 9.60 8.01 -0.03 -2.13 118.70 133.93 3d9r s GLU 110 Ca 0.02 -0.34 0.01 0.00 0.01 0.00 0.00 54.97 54.68 3d9r s GLU 110 Cb -0.06 -0.66 0.02 0.00 -4.31 0.00 0.00 34.13 29.12 3d9r s GLU 110 CO 0.00 0.18 -0.18 -1.17 0.01 0.00 0.00 175.26 174.10 3d9r s LEU 111 N -0.29 1.96 -0.19 1.80 2.96 -0.34 -1.27 118.68 123.30 3d9r s LEU 111 Ca 0.03 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 3d9r s LEU 111 Cb -0.04 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3d9r s LEU 111 CO -0.00 0.01 0.04 -0.36 -1.32 0.00 0.00 176.35 174.71 3d9r s PHE 112 N 1.19 3.14 -0.29 5.38 0.40 0.08 -1.66 117.98 126.22 3d9r s PHE 112 Ca 0.01 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3d9r s PHE 112 Cb -0.14 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3d9r s PHE 112 CO -0.08 -0.04 0.21 -0.51 0.70 0.00 0.00 175.22 175.50 3d9r s LEU 113 N 0.70 4.10 -0.05 -0.37 1.02 0.75 -1.54 118.68 123.29 3d9r s LEU 113 Ca 0.02 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.14 3d9r s LEU 113 Cb -0.14 -2.15 -0.03 0.00 0.02 0.00 0.00 46.19 43.90 3d9r s LEU 113 CO 0.02 -0.09 -0.12 -0.76 0.02 0.00 0.00 176.35 175.42 3d9r s LEU 114 N 1.78 2.89 -0.10 1.79 1.02 0.17 -0.10 118.68 126.13 3d9r s LEU 114 Ca 0.08 -0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.11 3d9r s LEU 114 Cb -0.16 -1.61 0.01 0.00 0.02 0.00 0.00 46.19 44.45 3d9r s LEU 114 CO 0.11 0.35 -0.20 -0.60 0.02 0.00 0.00 176.35 176.03 3d9r s ARG 115 N -0.79 2.63 0.06 1.70 3.52 -0.11 -1.34 118.95 124.62 3d9r s ARG 115 Ca 0.12 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 3d9r s ARG 115 Cb -0.11 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 3d9r s ARG 115 CO 0.01 0.06 1.15 0.21 -0.81 0.00 0.00 175.30 175.92 3d9r s LYS 116 N 0.64 4.47 0.94 5.12 2.20 -0.16 -1.52 119.74 131.44 3d9r s LYS 116 Ca -0.13 1.70 -0.15 0.00 -0.36 0.00 0.00 55.97 57.03 3d9r s LYS 116 Cb -0.16 -3.36 0.18 0.00 -1.51 0.00 0.00 37.83 32.97 3d9r s LYS 116 CO 0.03 -0.20 1.27 -1.54 -0.36 0.00 0.00 175.35 174.56 3d9r s SER 117 N 0.97 3.28 0.50 1.43 1.04 0.38 -4.87 113.70 116.44 3d9r s SER 117 Ca 0.57 0.44 0.25 0.00 0.48 0.00 0.00 55.95 57.69 3d9r s SER 117 Cb -0.28 -0.62 1.33 0.00 0.10 0.00 0.00 66.02 66.56 3d9r s SER 117 CO 0.29 -2.64 2.04 0.00 0.98 0.00 0.00 173.24 173.91 3d9r h ALA 118 N -1.58 1.32 -0.19 5.32 0.00 -1.96 -0.93 119.26 121.24 3d9r h ALA 118 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3d9r h ALA 118 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3d9r h ALA 118 CO 0.45 0.18 0.00 0.25 0.00 0.00 0.00 179.25 180.13 3d9r n THR 119 N -3.73 0.24 -0.46 0.00 -2.24 -1.26 -4.97 114.28 101.86 3d9r n THR 119 Ca -0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3d9r n THR 119 Cb 0.26 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3d9r n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d9r n GLY 120 N 1.29 0.76 3.83 3.38 0.00 -0.35 -5.06 105.19 109.04 3d9r n GLY 120 Ca 0.17 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3d9r n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d9r s SER 121 N -2.08 6.63 -0.06 1.61 1.04 -1.26 -4.67 113.70 114.91 3d9r s SER 121 Ca 0.00 0.75 -0.29 0.00 0.48 0.00 0.00 55.95 56.89 3d9r s SER 121 Cb 0.00 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 3d9r s SER 121 CO 0.00 0.30 0.95 0.26 0.98 0.00 0.00 173.24 175.73 3d9r s TRP 122 N -0.76 3.58 0.18 5.02 0.52 -1.26 -0.47 118.94 125.75 3d9r s TRP 122 Ca 0.20 1.57 0.06 0.00 0.02 0.00 0.00 56.10 57.96 3d9r s TRP 122 Cb -0.15 -3.10 -0.05 0.00 -1.15 0.00 0.00 33.47 29.03 3d9r s TRP 122 CO 0.09 -0.09 -0.13 -0.65 0.02 0.00 0.00 176.95 176.19 3d9r s GLN 123 N 1.43 1.21 -0.31 4.98 -0.21 -0.58 -4.90 119.66 121.29 3d9r s GLN 123 Ca 0.48 -1.51 -0.26 0.00 0.02 0.00 0.00 55.36 54.09 3d9r s GLN 123 Cb -0.19 -0.93 0.01 0.00 1.00 0.00 0.00 33.01 32.89 3d9r s GLN 123 CO 0.22 0.15 0.90 0.99 -2.12 0.00 0.00 175.29 175.42 3d9r s THR 124 N -3.02 4.70 -0.16 -0.19 2.01 0.17 -0.93 115.64 118.21 3d9r s THR 124 Ca 0.19 1.41 -0.19 0.00 0.31 0.00 0.00 61.69 63.42 3d9r s THR 124 Cb 0.00 -4.24 -0.23 0.00 0.01 0.00 0.00 72.50 68.04 3d9r s THR 124 CO 0.04 -0.32 0.37 0.00 -0.69 0.00 0.00 174.62 174.03 3d9r h ALA 125 N 8.07 0.24 -3.75 7.40 0.00 -0.83 -1.13 119.26 129.25 3d9r h ALA 125 Ca -0.23 -1.14 -0.31 0.00 0.00 0.00 0.00 54.91 53.23 3d9r h ALA 125 Cb 1.08 0.60 -0.30 0.00 0.00 0.00 0.00 17.79 19.18 3d9r h ALA 125 CO 0.94 0.75 -0.75 1.03 0.00 0.00 0.00 179.25 181.22 3d9r s ARG 126 N -2.40 0.31 -0.02 0.00 1.81 -1.02 -1.48 118.95 116.16 3d9r s ARG 126 Ca -0.25 -0.08 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 3d9r s ARG 126 Cb 0.05 -0.35 0.01 0.00 -0.45 0.00 0.00 34.95 34.21 3d9r s ARG 126 CO 0.67 0.02 -0.02 -0.47 -0.68 0.00 0.00 175.30 174.82 3d9r s TYR 127 N 0.20 0.34 0.01 -0.53 5.04 -0.18 -0.18 117.35 122.06 3d9r s TYR 127 Ca -0.02 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 3d9r s TYR 127 Cb -0.05 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.93 3d9r s TYR 127 CO -0.00 -0.07 -0.10 0.00 -1.34 0.00 0.00 175.55 174.03 3d9r s THR 129 N -0.43 0.42 0.01 0.00 -1.32 -1.26 -1.20 115.64 111.85 3d9r s THR 129 Ca 0.02 -0.04 0.06 0.00 -1.21 0.00 0.00 61.69 60.52 3d9r s THR 129 Cb -0.05 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 3d9r s THR 129 CO -0.00 0.21 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.50 3d9r s SER 130 N 1.04 3.80 -0.23 8.08 1.04 -0.90 -3.89 113.70 122.63 3d9r s SER 130 Ca -0.09 -0.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.69 3d9r s SER 130 Cb -0.14 -0.66 0.01 0.00 0.10 0.00 0.00 66.02 65.33 3d9r s SER 130 CO -0.01 0.29 1.10 -0.75 0.98 0.00 0.00 173.24 174.86 3d9r s LYS 131 N -1.13 4.21 0.15 4.02 2.20 -1.26 -1.65 119.74 126.29 3d9r s LYS 131 Ca 0.13 1.38 -0.01 0.00 -0.36 0.00 0.00 55.97 57.12 3d9r s LYS 131 Cb -0.10 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 3d9r s LYS 131 CO 0.03 -0.70 1.35 0.82 -0.36 0.00 0.00 175.35 176.49 3d9r h ILE 132 N 5.52 1.45 -1.52 5.43 2.04 -1.24 -3.48 117.51 125.70 3d9r h ILE 132 Ca -0.21 -2.51 0.09 0.00 1.00 0.00 0.00 64.86 63.23 3d9r h ILE 132 Cb 1.07 2.42 -0.23 0.00 -0.74 0.00 0.00 36.82 39.34 3d9r h ILE 132 CO 0.99 0.74 0.58 -0.94 0.00 0.00 0.00 178.15 179.52 3d9r s SER 133 N -7.00 -0.34 0.00 1.72 1.04 -1.20 -5.02 113.70 102.91 3d9r s SER 133 Ca -0.04 0.37 0.28 0.00 0.48 0.00 0.00 55.95 57.04 3d9r s SER 133 Cb 0.10 0.28 1.66 0.00 0.10 0.00 0.00 66.02 68.16 3d9r s SER 133 CO 0.84 -0.32 2.00 -2.65 0.98 0.00 0.00 173.24 174.10