#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9r s ASN 6 N 0.00 6.32 0.00 5.98 3.84 -1.26 -4.89 114.94 124.93 3d9r s ASN 6 Ca 0.00 -0.46 0.28 0.00 0.21 0.00 0.00 52.86 52.89 3d9r s ASN 6 Cb 0.00 -2.41 1.23 0.00 -0.55 0.00 0.00 41.25 39.52 3d9r s ASN 6 CO 0.00 -1.19 1.90 -0.62 -2.79 0.00 0.00 177.10 174.41 3d9r n GLU 7 N 7.28 0.09 0.11 0.43 1.02 -1.26 -2.85 120.64 125.47 3d9r n GLU 7 Ca 0.00 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 3d9r n GLU 7 Cb 0.47 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 3d9r n GLU 7 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3d9r h GLU 8 N 0.00 0.00 -0.20 3.49 4.39 -2.00 -3.38 114.58 116.88 3d9r h GLU 8 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3d9r h GLU 8 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3d9r h GLU 8 CO 0.00 0.00 0.10 -0.07 -1.16 0.00 0.00 179.01 177.88 3d9r h LEU 9 N 0.00 0.27 -1.79 1.33 3.38 -1.95 0.23 115.31 116.78 3d9r h LEU 9 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3d9r h LEU 9 Cb 1.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3d9r h LEU 9 CO 0.00 0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.82 3d9r h ALA 10 N 0.96 1.83 0.07 1.53 0.00 -1.80 -1.28 119.26 120.57 3d9r h ALA 10 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3d9r h ALA 10 Cb 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3d9r h ALA 10 CO -0.01 0.13 -1.14 0.28 0.00 0.00 0.00 179.25 178.51 3d9r h VAL 11 N 0.10 1.34 -0.17 0.00 2.07 -1.51 -1.60 116.25 116.48 3d9r h VAL 11 Ca 0.02 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 3d9r h VAL 11 Cb 0.11 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3d9r h VAL 11 CO 0.00 0.76 0.06 0.40 0.02 0.00 0.00 177.57 178.82 3d9r h ILE 12 N 0.25 1.16 -0.77 4.57 2.04 -0.37 -2.70 117.51 121.70 3d9r h ILE 12 Ca -0.14 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3d9r h ILE 12 Cb 1.80 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 3d9r h ILE 12 CO 0.21 0.15 0.42 -0.08 0.00 0.00 0.00 178.15 178.85 3d9r h GLU 13 N 0.11 1.07 -0.65 2.37 4.81 -1.28 -2.58 114.58 118.43 3d9r h GLU 13 Ca 0.05 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3d9r h GLU 13 Cb 0.19 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3d9r h GLU 13 CO -0.00 0.79 0.34 0.00 -0.73 0.00 0.00 179.01 179.41 3d9r h ALA 14 N 1.22 1.38 -0.43 2.92 0.00 -1.12 -0.24 119.26 122.99 3d9r h ALA 14 Ca 0.27 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3d9r h ALA 14 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3d9r h ALA 14 CO -0.04 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.79 3d9r h ALA 15 N 1.47 0.58 -0.22 0.00 0.00 -1.15 0.17 119.26 120.11 3d9r h ALA 15 Ca 0.23 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3d9r h ALA 15 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d9r h ALA 15 CO -0.03 0.29 0.12 0.00 0.00 0.00 0.00 179.25 179.62 3d9r h ALA 16 N 0.95 0.26 -0.71 0.00 0.00 -1.15 -2.61 119.26 116.00 3d9r h ALA 16 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3d9r h ALA 16 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3d9r h ALA 16 CO 0.01 -0.29 0.35 0.82 0.00 0.00 0.00 179.25 180.14 3d9r h ILE 17 N 0.25 1.22 -0.19 0.00 2.04 -0.77 -0.86 117.51 119.20 3d9r h ILE 17 Ca 0.08 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3d9r h ILE 17 Cb 0.00 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3d9r h ILE 17 CO -0.05 0.26 -0.13 0.00 0.00 0.00 0.00 178.15 178.24 3d9r h ALA 18 N 1.39 1.44 0.16 1.87 0.00 -0.57 0.77 119.26 124.32 3d9r h ALA 18 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3d9r h ALA 18 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3d9r h ALA 18 CO -0.03 0.39 -0.07 -0.92 0.00 0.00 0.00 179.25 178.61 3d9r h TYR 19 N 0.29 -0.19 -0.91 0.00 3.20 -0.96 -2.02 116.97 116.36 3d9r h TYR 19 Ca 0.06 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3d9r h TYR 19 Cb 0.40 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 3d9r h TYR 19 CO 0.01 0.16 0.59 -0.07 -1.64 0.00 0.00 178.16 177.20 3d9r h LEU 20 N -0.58 0.96 -0.25 2.82 3.38 -0.63 0.58 115.31 121.59 3d9r h LEU 20 Ca -0.02 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 3d9r h LEU 20 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3d9r h LEU 20 CO 0.04 0.65 -0.81 0.71 0.09 0.00 0.00 178.44 179.12 3d9r h THR 21 N 1.12 1.34 -0.60 0.22 1.35 -0.96 -2.10 112.91 113.26 3d9r h THR 21 Ca 0.37 -2.14 -0.07 0.00 -0.55 0.00 0.00 66.41 64.02 3d9r h THR 21 Cb 0.05 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 3d9r h THR 21 CO -0.14 0.66 0.09 0.00 -0.25 0.00 0.00 175.52 175.88 3d9r h ALA 22 N 0.73 0.80 -0.06 6.62 0.00 -0.54 -1.63 119.26 125.17 3d9r h ALA 22 Ca -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3d9r h ALA 22 Cb 1.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3d9r h ALA 22 CO 0.15 0.56 -0.08 0.35 0.00 0.00 0.00 179.25 180.24 3d9r h PHE 23 N 0.91 -0.18 0.00 0.00 3.57 0.15 -2.14 116.94 119.25 3d9r h PHE 23 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3d9r h PHE 23 Cb 0.43 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 3d9r h PHE 23 CO 0.03 -0.12 -0.04 -0.97 -2.23 0.00 0.00 178.31 174.98 3d9r h ASN 24 N -0.10 0.00 0.13 0.41 -1.24 -1.19 0.20 115.58 113.79 3d9r h ASN 24 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3d9r h ASN 24 Cb 0.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3d9r h ASN 24 CO -0.13 0.04 -0.05 0.54 -1.29 0.00 0.00 177.43 176.55 3d9r n ARG 25 N -3.24 1.10 -3.06 6.67 1.74 -0.63 -4.94 116.66 114.30 3d9r n ARG 25 Ca -0.01 -0.40 -0.21 0.00 -0.77 0.00 0.00 57.85 56.46 3d9r n ARG 25 Cb 0.23 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.60 -0.97 -2.97 7.54 0.00 0.71 -4.92 120.51 119.31 3d9r n ALA 26 Ca 0.19 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 3d9r n ALA 26 Cb 0.25 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 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 -2.57 6.37 0.10 0.00 -1.08 -0.84 -4.94 116.67 113.72 3d9r s ASP 27 Ca 0.29 -1.58 -0.15 0.00 -0.52 0.00 0.00 52.55 50.59 3d9r s ASP 27 Cb -0.14 -2.37 -0.07 0.00 -1.46 0.00 0.00 42.92 38.88 3d9r s ASP 27 CO 0.35 -1.18 1.46 0.40 0.52 0.00 0.00 175.17 176.72 3d9r h ILE 28 N 5.85 1.29 -0.69 4.11 2.04 -1.91 -0.61 117.51 127.60 3d9r h ILE 28 Ca -0.10 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.50 3d9r h ILE 28 Cb 1.06 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 3d9r h ILE 28 CO 1.11 0.41 0.42 -0.65 0.00 0.00 0.00 178.15 179.45 3d9r h PRO 29 N 0.42 0.79 -0.68 2.37 0.11 -1.98 0.76 132.00 133.79 3d9r h PRO 29 Ca 0.07 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.14 3d9r h PRO 29 Cb 0.71 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 3d9r h PRO 29 CO 0.05 0.53 0.45 0.00 -0.21 0.00 0.00 178.00 178.81 3d9r h ALA 30 N 1.30 0.86 -0.08 -0.75 0.00 -1.91 -0.31 119.26 118.37 3d9r h ALA 30 Ca 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3d9r h ALA 30 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3d9r h ALA 30 CO -0.12 0.28 0.05 0.28 0.00 0.00 0.00 179.25 179.74 3d9r h VAL 31 N 0.91 1.05 -0.53 0.00 2.07 -0.59 -2.75 116.25 116.41 3d9r h VAL 31 Ca 0.25 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.67 3d9r h VAL 31 Cb -0.10 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3d9r h VAL 31 CO -0.06 0.05 0.35 0.40 0.02 0.00 0.00 177.57 178.33 3d9r h ILE 32 N 0.08 1.07 0.00 4.57 1.08 -0.68 -2.70 117.51 120.93 3d9r h ILE 32 Ca 0.03 -0.22 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 3d9r h ILE 32 Cb 0.03 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3d9r h ILE 32 CO -0.01 0.11 -0.17 0.00 -0.69 0.00 0.00 178.15 177.40 3d9r h ALA 33 N 1.69 1.14 0.00 1.87 0.00 -0.75 -2.65 119.26 120.56 3d9r h ALA 33 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d9r h ALA 33 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3d9r h ALA 33 CO -0.05 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.66 3d9r n THR 34 N -3.50 0.67 -3.63 0.00 -2.24 -1.02 -4.86 114.28 99.71 3d9r n THR 34 Ca -0.01 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 3d9r n THR 34 Cb 0.33 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.18 3.47 1.06 4.78 2.02 -1.00 -0.42 117.35 124.09 3d9r s TYR 35 Ca 0.08 0.52 -0.12 0.00 -0.37 0.00 0.00 57.07 57.19 3d9r s TYR 35 Cb 0.11 -1.99 0.23 0.00 -0.40 0.00 0.00 41.96 39.91 3d9r s TYR 35 CO 0.53 0.38 1.06 0.95 -1.57 0.00 0.00 175.55 176.90 3d9r s THR 36 N -1.77 2.13 0.29 -0.71 -4.23 -0.56 -4.79 115.64 106.00 3d9r s THR 36 Ca 0.41 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3d9r s THR 36 Cb -0.12 -2.27 0.13 0.00 1.34 0.00 0.00 72.50 71.59 3d9r s THR 36 CO 0.26 -0.06 1.80 0.44 -0.54 0.00 0.00 174.62 176.53 3d9r h ASP 37 N -2.22 0.67 -0.54 3.99 3.32 -1.96 -2.15 116.42 117.53 3d9r h ASP 37 Ca -0.56 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.29 3d9r h ASP 37 Cb 1.32 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3d9r h ASP 37 CO 0.52 0.73 0.06 -0.90 -1.72 0.00 0.00 179.24 177.93 3d9r n ASP 38 N -4.24 4.94 -4.66 6.45 5.75 -1.26 -2.81 116.55 120.72 3d9r n ASP 38 Ca 0.02 -2.87 -0.41 0.00 -0.01 0.00 0.00 54.79 51.52 3d9r n ASP 38 Cb 0.27 -0.68 0.01 0.00 -1.03 0.00 0.00 41.12 39.70 3d9r n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d9r n GLY 39 N 0.38 0.18 3.25 6.12 0.00 -0.81 -4.30 105.19 110.01 3d9r n GLY 39 Ca 0.27 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 3d9r n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d9r s VAL 40 N -1.24 2.26 0.45 1.61 1.01 -0.85 -0.06 120.40 123.56 3d9r s VAL 40 Ca 0.63 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3d9r s VAL 40 Cb -0.53 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.02 3d9r s VAL 40 CO 0.57 0.55 0.39 -0.11 0.00 0.00 0.00 175.10 176.50 3d9r n LEU 41 N 3.49 0.00 0.00 3.92 7.94 -0.61 -0.83 117.00 130.91 3d9r n LEU 41 Ca -0.19 -2.25 0.00 0.00 -1.11 0.00 0.00 56.01 52.47 3d9r n LEU 41 Cb 0.53 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.39 3d9r n LEU 41 CO 0.28 -0.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.62 3d9r n GLY 43 N -0.39 2.32 3.77 -3.96 0.00 -1.26 -1.16 105.19 104.52 3d9r n GLY 43 Ca 0.01 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.91 3.90 0.00 1.61 0.02 -1.25 -3.52 135.00 133.85 3d9r s PRO 44 Ca 0.00 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.79 3d9r s PRO 44 Cb 0.00 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3d9r s PRO 44 CO 0.00 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3d9r n GLY 45 N 0.49 0.74 3.14 0.52 0.00 -1.26 -4.99 105.19 103.83 3d9r n GLY 45 Ca 0.06 0.00 -0.13 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 0.35 0.74 1.61 0.52 -1.23 -5.16 118.95 115.70 3d9r s ARG 46 Ca 0.00 0.19 -0.11 0.00 -0.52 0.00 0.00 55.73 55.30 3d9r s ARG 46 Cb 0.00 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.67 3d9r s ARG 46 CO 0.00 -0.06 1.08 -1.25 0.02 0.00 0.00 175.30 175.09 3d9r s PRO 47 N -0.20 2.53 0.09 3.54 0.04 -1.26 -4.53 135.00 135.20 3d9r s PRO 47 Ca -0.03 1.10 -0.36 0.00 0.04 0.00 0.00 61.00 61.75 3d9r s PRO 47 Cb -0.03 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 3d9r s PRO 47 CO 0.01 -1.43 1.47 0.00 0.04 0.00 0.00 177.00 177.09 3d9r n ALA 48 N -3.32 -0.01 -2.57 8.56 0.00 -1.26 -4.88 120.51 117.02 3d9r n ALA 48 Ca 0.09 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.60 3d9r n ALA 48 Cb 0.53 -2.20 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 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 0.95 3.52 -0.24 0.00 0.00 -0.31 -4.95 121.76 120.73 3d9r s ALA 49 Ca 0.83 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 3d9r s ALA 49 Cb -0.85 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 3d9r s ALA 49 CO 0.45 -0.96 -0.02 0.08 0.00 0.00 0.00 175.76 175.31 3d9r s VAL 50 N 2.19 3.44 0.00 0.00 1.01 -1.26 -1.57 120.40 124.21 3d9r s VAL 50 Ca 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3d9r s VAL 50 Cb -0.16 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3d9r s VAL 50 CO 0.11 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3d9r n GLY 51 N 4.80 1.59 0.27 4.51 0.00 0.91 -4.34 105.19 112.92 3d9r n GLY 51 Ca -0.17 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 0.40 0.69 1.61 1.57 -1.78 0.11 116.57 119.17 3d9r h LYS 52 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3d9r h LYS 52 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d9r h LYS 52 CO 0.00 0.39 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.42 3d9r h ASP 53 N 0.39 -1.04 -0.44 0.86 3.32 -1.90 -0.11 116.42 117.50 3d9r h ASP 53 Ca 0.09 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.24 3d9r h ASP 53 Cb 0.20 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3d9r h ASP 53 CO 0.00 -0.65 0.19 -0.33 -1.72 0.00 0.00 179.24 176.73 3d9r h GLU 54 N -1.04 0.37 -0.58 3.56 5.08 -1.70 -2.49 114.58 117.78 3d9r h GLU 54 Ca -0.09 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3d9r h GLU 54 Cb 0.83 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.89 3d9r h GLU 54 CO 0.10 0.24 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.18 3d9r h LEU 55 N 0.38 -0.45 -0.21 1.33 4.07 -0.90 -1.81 115.31 117.72 3d9r h LEU 55 Ca 0.20 0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.33 3d9r h LEU 55 Cb 0.15 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 3d9r h LEU 55 CO -0.17 -0.17 0.13 0.00 -1.08 0.00 0.00 178.44 177.16 3d9r h ALA 56 N 1.57 0.27 -0.58 1.53 0.00 -0.59 -1.57 119.26 119.88 3d9r h ALA 56 Ca 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3d9r h ALA 56 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3d9r h ALA 56 CO -0.57 -0.27 0.38 0.93 0.00 0.00 0.00 179.25 179.72 3d9r h GLU 57 N 0.27 0.74 -0.23 0.00 4.39 -1.12 -0.23 114.58 118.40 3d9r h GLU 57 Ca 0.08 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3d9r h GLU 57 Cb -0.02 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3d9r h GLU 57 CO -0.03 0.49 0.06 0.28 -1.16 0.00 0.00 179.01 178.65 3d9r h VAL 58 N 0.76 1.20 -0.68 3.13 2.07 -1.11 -1.53 116.25 120.09 3d9r h VAL 58 Ca 0.22 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3d9r h VAL 58 Cb -0.05 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3d9r h VAL 58 CO -0.06 0.20 0.13 1.88 0.02 0.00 0.00 177.57 179.74 3d9r h TYR 59 N 0.19 1.16 -0.14 1.57 0.05 -1.13 0.20 116.97 118.87 3d9r h TYR 59 Ca 0.07 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3d9r h TYR 59 Cb 0.25 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3d9r h TYR 59 CO 0.01 0.96 0.09 1.25 -1.05 0.00 0.00 178.16 179.42 3d9r h LEU 60 N 1.04 0.17 -0.51 3.88 5.85 -0.94 -2.12 115.31 122.68 3d9r h LEU 60 Ca 0.21 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3d9r h LEU 60 Cb 0.41 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3d9r h LEU 60 CO 0.01 0.14 0.22 -1.28 -0.34 0.00 0.00 178.44 177.19 3d9r h SER 61 N 0.18 0.28 0.02 1.25 0.87 -0.87 0.83 113.55 116.11 3d9r h SER 61 Ca 0.05 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3d9r h SER 61 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3d9r h SER 61 CO -0.01 0.19 -0.37 0.58 -0.53 0.00 0.00 176.83 176.70 3d9r h VAL 62 N 0.43 0.23 0.00 2.23 2.07 -0.34 -2.37 116.25 118.50 3d9r h VAL 62 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3d9r h VAL 62 Cb 0.21 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3d9r h VAL 62 CO -0.20 0.00 -0.06 -0.26 0.02 0.00 0.00 177.57 177.06 3d9r h PHE 63 N -0.53 0.00 -0.17 1.57 0.04 -1.15 0.15 116.94 116.84 3d9r h PHE 63 Ca 0.05 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 3d9r h PHE 63 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3d9r h PHE 63 CO -0.37 0.06 -0.16 0.93 -0.60 0.00 0.00 178.31 178.17 3d9r h GLU 64 N 0.00 0.28 0.03 1.51 5.08 -0.70 -3.36 114.58 117.43 3d9r h GLU 64 Ca -0.00 -0.07 -0.38 0.00 -1.00 0.00 0.00 59.36 57.90 3d9r h GLU 64 Cb 0.81 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 3d9r h GLU 64 CO 0.01 0.45 -2.33 2.41 -1.00 0.00 0.00 179.01 178.54 3d9r n THR 65 N -4.23 1.56 -4.29 1.13 -1.04 -0.54 -4.83 114.28 102.04 3d9r n THR 65 Ca -0.01 -0.62 -0.18 0.00 -2.04 0.00 0.00 64.05 61.21 3d9r n THR 65 Cb 0.30 -1.43 -0.14 0.00 -1.82 0.00 0.00 70.33 67.24 3d9r n THR 65 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3d9r s VAL 66 N -2.53 0.75 -0.18 12.58 1.01 0.41 -0.88 120.40 131.56 3d9r s VAL 66 Ca -0.30 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3d9r s VAL 66 Cb 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3d9r s VAL 66 CO 0.66 0.05 0.03 -0.83 0.00 0.00 0.00 175.10 175.01 3d9r s GLY 67 N -0.65 1.84 -0.14 4.51 0.00 0.03 -4.26 107.32 108.66 3d9r s GLY 67 Ca 0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 3d9r s GLY 67 CO 0.00 0.04 -0.06 -1.36 0.00 0.00 0.00 173.10 171.71 3d9r s PHE 68 N 0.42 2.96 -0.13 1.90 0.08 -1.26 -0.19 117.98 121.76 3d9r s PHE 68 Ca 0.01 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3d9r s PHE 68 Cb -0.13 -1.89 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 3d9r s PHE 68 CO 0.01 -0.02 -0.19 0.34 -0.10 0.00 0.00 175.22 175.26 3d9r s ASP 69 N 0.18 3.39 0.01 1.36 2.15 -0.33 -4.92 116.67 118.51 3d9r s ASP 69 Ca -0.03 -0.51 -0.08 0.00 0.43 0.00 0.00 52.55 52.35 3d9r s ASP 69 Cb -0.14 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.99 3d9r s ASP 69 CO 0.03 0.12 0.16 0.00 -0.17 0.00 0.00 175.17 175.31 3d9r s ALA 71 N 0.60 -0.36 0.25 3.66 0.00 -0.15 -0.63 121.76 125.13 3d9r s ALA 71 Ca -0.11 -0.14 0.10 0.00 0.00 0.00 0.00 51.96 51.82 3d9r s ALA 71 Cb -0.16 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3d9r s ALA 71 CO 0.03 -0.24 -0.10 1.52 0.00 0.00 0.00 175.76 176.97 3d9r s TYR 72 N -1.61 2.53 -0.03 0.00 -0.85 -1.26 -0.41 117.35 115.71 3d9r s TYR 72 Ca -0.13 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.17 3d9r s TYR 72 Cb -0.06 -1.15 0.02 0.00 0.38 0.00 0.00 41.96 41.15 3d9r s TYR 72 CO 0.01 0.62 -0.03 -2.00 -1.52 0.00 0.00 175.55 172.62 3d9r s GLU 73 N -3.36 0.64 -0.19 -3.49 2.12 0.11 -4.96 118.70 109.58 3d9r s GLU 73 Ca 0.29 -0.07 -0.18 0.00 0.36 0.00 0.00 54.97 55.37 3d9r s GLU 73 Cb -0.07 -0.69 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 3d9r s GLU 73 CO 0.17 -0.07 0.49 0.42 -0.54 0.00 0.00 175.26 175.73 3d9r s ILE 74 N 0.80 5.14 -0.20 -3.70 -1.09 -1.26 -0.87 121.20 120.01 3d9r s ILE 74 Ca -0.10 0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 59.19 3d9r s ILE 74 Cb -0.13 -3.81 -0.21 0.00 -1.58 0.00 0.00 42.46 36.73 3d9r s ILE 74 CO -0.00 0.22 0.03 0.29 -1.23 0.00 0.00 174.94 174.24 3d9r n LYS 75 N 4.53 0.69 -3.58 2.79 4.76 0.75 -4.97 118.16 123.12 3d9r n LYS 75 Ca -0.06 0.23 -0.17 0.00 -2.87 0.00 0.00 58.31 55.44 3d9r n LYS 75 Cb 0.51 -1.61 -0.07 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.53 0.96 -0.15 1.97 -1.05 -0.91 -4.97 118.70 112.02 3d9r s GLU 76 Ca -0.30 0.16 -0.01 0.00 -0.15 0.00 0.00 54.97 54.68 3d9r s GLU 76 Cb 0.08 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.26 3d9r s GLU 76 CO 0.66 -0.29 -0.03 0.08 0.95 0.00 0.00 175.26 176.63 3d9r s VAL 77 N -1.19 0.91 -0.07 1.83 1.01 -1.26 -1.27 120.40 120.36 3d9r s VAL 77 Ca -0.11 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3d9r s VAL 77 Cb -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3d9r s VAL 77 CO 0.08 0.13 -0.13 -0.69 0.00 0.00 0.00 175.10 174.49 3d9r s VAL 78 N 1.72 1.24 -0.21 2.92 1.01 0.39 -5.00 120.40 122.47 3d9r s VAL 78 Ca 0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3d9r s VAL 78 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3d9r s VAL 78 CO -0.07 0.38 0.39 -1.58 0.00 0.00 0.00 175.10 174.22 3d9r s GLN 79 N 0.71 4.15 -0.19 2.72 0.74 -1.26 0.12 119.66 126.65 3d9r s GLN 79 Ca -0.14 0.17 0.18 0.00 0.05 0.00 0.00 55.36 55.63 3d9r s GLN 79 Cb -0.16 -3.55 -0.26 0.00 1.10 0.00 0.00 33.01 30.14 3d9r s GLN 79 CO 0.03 -0.07 0.10 0.25 -0.55 0.00 0.00 175.29 175.05 3d9r n THR 80 N 4.44 1.30 -3.68 -0.34 -2.24 -0.37 -4.97 114.28 108.42 3d9r n THR 80 Ca -0.08 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 60.78 3d9r n THR 80 Cb 0.51 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3d9r n THR 80 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d9r n SER 81 N -2.72 -1.30 -0.25 3.42 3.41 -0.92 -4.99 113.62 110.28 3d9r n SER 81 Ca -0.31 -2.16 0.05 0.00 -0.26 0.00 0.00 58.87 56.19 3d9r n SER 81 Cb 1.12 2.24 0.18 0.00 -0.26 0.00 0.00 64.21 67.49 3d9r n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d9r h ALA 82 N 1.94 0.99 -0.29 7.33 0.00 -2.04 -3.09 119.26 124.10 3d9r h ALA 82 Ca -0.21 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d9r h ALA 82 Cb 0.82 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3d9r h ALA 82 CO 0.27 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3d9r n ASP 83 N -5.08 2.76 -3.93 0.00 8.00 -1.26 -4.87 116.55 112.16 3d9r n ASP 83 Ca 0.14 -1.92 -0.13 0.00 0.71 0.00 0.00 54.79 53.58 3d9r n ASP 83 Cb 0.43 -0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 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 -0.99 0.27 0.21 1.24 0.52 -1.17 -0.48 118.94 118.55 3d9r s TRP 84 Ca 0.21 -0.14 -0.12 0.00 0.02 0.00 0.00 56.10 56.07 3d9r s TRP 84 Cb 0.11 -0.18 -0.00 0.00 -1.15 0.00 0.00 33.47 32.26 3d9r s TRP 84 CO 0.15 -0.03 0.41 0.00 0.02 0.00 0.00 176.95 177.50 3d9r s ALA 85 N -0.33 -0.24 0.06 0.98 0.00 -0.64 -1.24 121.76 120.36 3d9r s ALA 85 Ca -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3d9r s ALA 85 Cb -0.03 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3d9r s ALA 85 CO -0.00 -0.77 -0.06 -0.59 0.00 0.00 0.00 175.76 174.34 3d9r s PHE 86 N -3.98 0.67 -0.03 0.00 -0.12 0.12 -1.24 117.98 113.40 3d9r s PHE 86 Ca 0.19 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 3d9r s PHE 86 Cb 0.01 -0.41 0.01 0.00 -0.63 0.00 0.00 43.02 41.99 3d9r s PHE 86 CO 0.04 -0.17 -0.08 0.08 -0.05 0.00 0.00 175.22 175.04 3d9r s VAL 87 N -2.60 0.69 -0.11 -2.49 1.01 -0.69 -0.46 120.40 115.75 3d9r s VAL 87 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3d9r s VAL 87 Cb -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3d9r s VAL 87 CO -0.03 0.23 -0.16 -0.60 0.00 0.00 0.00 175.10 174.53 3d9r s ARG 88 N 0.31 3.17 0.27 2.72 3.52 -0.39 -0.57 118.95 127.97 3d9r s ARG 88 Ca -0.05 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 54.83 3d9r s ARG 88 Cb -0.09 -2.50 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 3d9r s ARG 88 CO 0.00 0.26 0.15 -1.54 -0.81 0.00 0.00 175.30 173.37 3d9r s SER 89 N 0.20 1.17 0.04 -2.12 1.04 -0.32 -0.17 113.70 113.53 3d9r s SER 89 Ca -0.10 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 54.83 3d9r s SER 89 Cb -0.16 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3d9r s SER 89 CO 0.06 -0.86 -0.04 0.00 0.98 0.00 0.00 173.24 173.37 3d9r s ALA 90 N -3.75 0.42 0.05 5.32 0.00 -0.05 -0.92 121.76 122.83 3d9r s ALA 90 Ca 0.37 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3d9r s ALA 90 Cb 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3d9r s ALA 90 CO 0.16 -0.19 -0.08 0.95 0.00 0.00 0.00 175.76 176.60 3d9r s THR 91 N -2.32 0.58 0.07 0.00 -4.23 -0.31 0.05 115.64 109.48 3d9r s THR 91 Ca -0.06 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 3d9r s THR 91 Cb -0.04 -0.71 0.03 0.00 1.34 0.00 0.00 72.50 73.13 3d9r s THR 91 CO -0.03 -0.41 0.40 -1.83 -0.54 0.00 0.00 174.62 172.21 3d9r s GLU 92 N -1.75 0.96 0.00 3.99 -1.05 0.45 -1.26 118.70 120.04 3d9r s GLU 92 Ca -0.08 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 3d9r s GLU 92 Cb -0.09 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 3d9r s GLU 92 CO 0.00 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.28 3d9r n GLY 93 N 0.30 -0.55 3.39 -3.83 0.00 -0.28 -0.98 105.19 103.24 3d9r n GLY 93 Ca -0.18 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 2.01 -0.09 2.61 -4.23 0.20 -1.47 115.64 112.67 3d9r s THR 94 Ca 0.00 -2.26 0.01 0.00 -1.18 0.00 0.00 61.69 58.26 3d9r s THR 94 Cb 0.00 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.74 3d9r s THR 94 CO 0.00 -0.50 -0.10 -0.70 -0.54 0.00 0.00 174.62 172.78 3d9r s GLU 95 N -3.52 1.64 -0.12 3.99 2.12 0.12 -1.18 118.70 121.74 3d9r s GLU 95 Ca 0.25 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.21 3d9r s GLU 95 Cb -0.03 -1.53 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 3d9r s GLU 95 CO 0.10 -0.14 -0.01 0.99 -0.54 0.00 0.00 175.26 175.66 3d9r s THR 96 N 1.25 4.20 -0.34 -1.70 2.01 0.73 -0.59 115.64 121.21 3d9r s THR 96 Ca -0.03 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 3d9r s THR 96 Cb -0.14 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.57 3d9r s THR 96 CO -0.03 0.54 0.78 0.21 -0.69 0.00 0.00 174.62 175.44 3d9r s ASN 97 N -0.26 6.60 0.46 3.53 3.84 -0.44 -0.79 114.94 127.89 3d9r s ASN 97 Ca 0.06 0.51 0.22 0.00 0.21 0.00 0.00 52.86 53.85 3d9r s ASN 97 Cb -0.12 -2.40 1.13 0.00 -0.55 0.00 0.00 41.25 39.31 3d9r s ASN 97 CO 0.02 -0.67 1.96 0.11 -2.79 0.00 0.00 177.10 175.73 3d9r h LYS 98 N 8.30 0.00 0.51 0.43 1.57 -1.33 0.49 116.57 126.54 3d9r h LYS 98 Ca -0.25 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3d9r h LYS 98 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.41 3d9r h LYS 98 CO 0.90 0.21 -0.25 0.00 -0.57 0.00 0.00 179.45 179.74 3d9r h ALA 99 N 1.79 -0.82 0.00 3.86 0.00 -1.90 -3.38 119.26 118.81 3d9r h ALA 99 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3d9r h ALA 99 Cb 0.48 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3d9r h ALA 99 CO 0.03 -0.77 -0.93 1.79 0.00 0.00 0.00 179.25 179.37 3d9r h THR 100 N -0.98 1.03 0.00 0.00 1.35 -1.92 -3.48 112.91 108.92 3d9r h THR 100 Ca -0.07 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 3d9r h THR 100 Cb 0.53 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3d9r h THR 100 CO 0.12 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 3d9r n GLY 101 N 1.32 0.82 3.69 5.82 0.00 0.17 -5.04 105.19 111.97 3d9r n GLY 101 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.19 4.13 -0.21 1.61 1.01 -1.24 -4.73 120.40 117.78 3d9r s VAL 102 Ca 0.00 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.35 3d9r s VAL 102 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3d9r s VAL 102 CO 0.00 -0.00 0.14 -0.69 0.00 0.00 0.00 175.10 174.55 3d9r s VAL 103 N 2.24 5.40 0.06 2.92 1.01 -1.26 -1.33 120.40 129.43 3d9r s VAL 103 Ca 0.58 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.78 3d9r s VAL 103 Cb -0.26 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3d9r s VAL 103 CO 0.23 0.42 -0.07 0.42 0.00 0.00 0.00 175.10 176.10 3d9r s THR 104 N 0.48 0.58 0.52 3.92 -4.23 0.24 -4.96 115.64 112.20 3d9r s THR 104 Ca 0.08 -1.44 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 3d9r s THR 104 Cb -0.11 -1.05 -0.06 0.00 1.34 0.00 0.00 72.50 72.62 3d9r s THR 104 CO -0.01 -0.60 1.21 -2.16 -0.54 0.00 0.00 174.62 172.53 3d9r s PRO 105 N -2.54 3.36 -0.06 3.99 0.04 -1.26 0.14 135.00 138.68 3d9r s PRO 105 Ca -0.01 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 3d9r s PRO 105 Cb -0.03 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.33 3d9r s PRO 105 CO -0.02 -0.90 0.19 0.00 0.04 0.00 0.00 177.00 176.31 3d9r s ALA 106 N -1.53 -0.48 -0.01 8.56 0.00 -0.54 -4.73 121.76 123.03 3d9r s ALA 106 Ca 0.70 0.46 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3d9r s ALA 106 Cb -0.31 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3d9r s ALA 106 CO 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 175.76 176.00 3d9r s ALA 107 N -0.14 0.14 0.20 0.00 0.00 -1.26 -1.13 121.76 119.56 3d9r s ALA 107 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3d9r s ALA 107 Cb -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3d9r s ALA 107 CO 0.01 -0.00 -0.01 0.71 0.00 0.00 0.00 175.76 176.46 3d9r s TYR 108 N 0.27 1.39 -0.02 0.00 1.51 -0.39 -1.21 117.35 118.90 3d9r s TYR 108 Ca -0.02 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.13 3d9r s TYR 108 Cb -0.04 -0.79 -0.00 0.00 -0.11 0.00 0.00 41.96 41.02 3d9r s TYR 108 CO -0.01 -0.09 -0.10 1.14 -1.11 0.00 0.00 175.55 175.38 3d9r s GLN 109 N -3.87 0.91 -0.03 -0.62 -2.07 -0.40 -1.17 119.66 112.41 3d9r s GLN 109 Ca 0.25 -0.35 0.03 0.00 -1.82 0.00 0.00 55.36 53.48 3d9r s GLN 109 Cb 0.05 -0.86 -0.00 0.00 -1.09 0.00 0.00 33.01 31.11 3d9r s GLN 109 CO 0.06 0.18 -0.12 -1.21 -1.32 0.00 0.00 175.29 172.88 3d9r s GLU 110 N -0.06 1.17 -0.15 9.60 8.01 -0.10 -1.56 118.70 135.62 3d9r s GLU 110 Ca 0.01 -0.40 0.01 0.00 0.01 0.00 0.00 54.97 54.60 3d9r s GLU 110 Cb -0.06 -1.07 0.00 0.00 -4.31 0.00 0.00 34.13 28.69 3d9r s GLU 110 CO -0.00 0.17 -0.18 -1.17 0.01 0.00 0.00 175.26 174.09 3d9r s LEU 111 N 0.08 2.32 -0.15 1.80 2.96 -0.33 -1.18 118.68 124.18 3d9r s LEU 111 Ca -0.02 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3d9r s LEU 111 Cb -0.09 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3d9r s LEU 111 CO 0.01 0.08 0.01 -0.36 -1.32 0.00 0.00 176.35 174.77 3d9r s PHE 112 N 0.84 3.16 -0.29 5.38 0.40 0.27 -1.56 117.98 126.17 3d9r s PHE 112 Ca -0.06 -0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.17 3d9r s PHE 112 Cb -0.15 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.40 3d9r s PHE 112 CO -0.01 0.16 0.10 -0.51 0.70 0.00 0.00 175.22 175.65 3d9r s LEU 113 N 0.08 3.82 -0.04 -0.37 1.02 0.38 -1.70 118.68 121.87 3d9r s LEU 113 Ca 0.03 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.64 3d9r s LEU 113 Cb -0.13 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 3d9r s LEU 113 CO 0.02 -0.16 -0.09 -0.76 0.02 0.00 0.00 176.35 175.37 3d9r s LEU 114 N 1.55 3.03 -0.09 1.79 1.02 -0.37 0.61 118.68 126.21 3d9r s LEU 114 Ca 0.04 -0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.11 3d9r s LEU 114 Cb -0.17 -1.68 -0.00 0.00 0.02 0.00 0.00 46.19 44.36 3d9r s LEU 114 CO 0.04 0.33 -0.23 -0.60 0.02 0.00 0.00 176.35 175.91 3d9r s ARG 115 N -0.97 2.99 -0.10 1.70 3.52 0.62 -1.62 118.95 125.08 3d9r s ARG 115 Ca 0.13 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 3d9r s ARG 115 Cb -0.11 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 3d9r s ARG 115 CO 0.03 0.23 1.22 0.21 -0.81 0.00 0.00 175.30 176.17 3d9r s LYS 116 N 0.23 4.30 0.88 5.12 2.20 0.37 -1.51 119.74 131.34 3d9r s LYS 116 Ca -0.15 1.66 -0.12 0.00 -0.36 0.00 0.00 55.97 57.00 3d9r s LYS 116 Cb -0.17 -3.64 0.12 0.00 -1.51 0.00 0.00 37.83 32.63 3d9r s LYS 116 CO 0.08 -0.55 1.11 -1.54 -0.36 0.00 0.00 175.35 174.08 3d9r s SER 117 N 1.66 3.77 0.61 1.43 1.04 0.93 -4.89 113.70 118.26 3d9r s SER 117 Ca 0.55 1.19 0.34 0.00 0.48 0.00 0.00 55.95 58.51 3d9r s SER 117 Cb -0.23 -1.85 1.96 0.00 0.10 0.00 0.00 66.02 65.99 3d9r s SER 117 CO 0.19 -2.41 2.25 0.00 0.98 0.00 0.00 173.24 174.25 3d9r h ALA 118 N -1.40 1.43 -0.62 5.32 0.00 -1.96 -0.61 119.26 121.41 3d9r h ALA 118 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3d9r h ALA 118 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3d9r h ALA 118 CO 0.59 -0.06 0.00 0.25 0.00 0.00 0.00 179.25 180.04 3d9r n THR 119 N -3.61 1.57 -0.49 0.00 -2.24 -1.26 -4.96 114.28 103.29 3d9r n THR 119 Ca -0.02 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3d9r n THR 119 Cb 0.12 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.19 0.75 3.81 3.38 0.00 -0.24 -5.05 105.19 109.03 3d9r n GLY 120 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 3d9r n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d9r s SER 121 N -2.64 6.32 -0.10 1.61 0.15 -1.26 -4.76 113.70 113.02 3d9r s SER 121 Ca 0.00 0.37 -0.21 0.00 0.70 0.00 0.00 55.95 56.81 3d9r s SER 121 Cb 0.00 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 3d9r s SER 121 CO 0.00 0.31 0.60 0.26 1.20 0.00 0.00 173.24 175.61 3d9r s TRP 122 N -0.43 3.54 0.09 3.44 0.52 -1.26 -0.05 118.94 124.78 3d9r s TRP 122 Ca 0.12 1.07 0.04 0.00 0.02 0.00 0.00 56.10 57.36 3d9r s TRP 122 Cb -0.12 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.48 3d9r s TRP 122 CO 0.01 0.11 -0.11 -0.65 0.02 0.00 0.00 176.95 176.33 3d9r s GLN 123 N 0.79 0.81 -0.34 4.98 -0.21 -0.57 -4.88 119.66 120.25 3d9r s GLN 123 Ca 0.32 -1.07 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 3d9r s GLN 123 Cb -0.16 -0.60 0.01 0.00 1.00 0.00 0.00 33.01 33.26 3d9r s GLN 123 CO 0.14 0.11 1.14 0.99 -2.12 0.00 0.00 175.29 175.55 3d9r s THR 124 N -2.02 4.37 -0.06 -0.19 2.01 0.44 -0.28 115.64 119.91 3d9r s THR 124 Ca 0.02 1.55 -0.19 0.00 0.31 0.00 0.00 61.69 63.38 3d9r s THR 124 Cb -0.06 -4.38 -0.30 0.00 0.01 0.00 0.00 72.50 67.77 3d9r s THR 124 CO 0.01 -0.56 0.77 0.00 -0.69 0.00 0.00 174.62 174.15 3d9r h ALA 125 N 8.55 0.01 -3.36 7.40 0.00 -0.16 -1.48 119.26 130.23 3d9r h ALA 125 Ca -0.22 -0.87 -0.19 0.00 0.00 0.00 0.00 54.91 53.63 3d9r h ALA 125 Cb 1.07 0.26 -0.26 0.00 0.00 0.00 0.00 17.79 18.86 3d9r h ALA 125 CO 1.05 0.58 -0.57 1.03 0.00 0.00 0.00 179.25 181.34 3d9r s ARG 126 N -2.46 0.18 -0.08 0.00 1.81 -0.92 -2.02 118.95 115.46 3d9r s ARG 126 Ca -0.16 0.11 -0.04 0.00 -1.72 0.00 0.00 55.73 53.92 3d9r s ARG 126 Cb 0.02 0.08 0.04 0.00 -0.45 0.00 0.00 34.95 34.65 3d9r s ARG 126 CO 0.81 -0.03 0.19 -0.47 -0.68 0.00 0.00 175.30 175.13 3d9r s TYR 127 N -0.09 -0.24 -0.01 -0.53 5.04 -0.01 -0.47 117.35 121.03 3d9r s TYR 127 Ca -0.02 0.63 0.05 0.00 -2.44 0.00 0.00 57.07 55.29 3d9r s TYR 127 Cb -0.02 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.26 3d9r s TYR 127 CO 0.00 -0.20 -0.18 0.00 -1.34 0.00 0.00 175.55 173.84 3d9r s THR 129 N -0.41 0.92 0.10 0.00 -1.32 -1.26 -1.19 115.64 112.47 3d9r s THR 129 Ca 0.07 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.24 3d9r s THR 129 Cb -0.07 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 3d9r s THR 129 CO -0.01 0.29 -0.22 -0.94 -2.21 0.00 0.00 174.62 171.54 3d9r s SER 130 N 0.45 2.64 -0.26 8.08 1.04 -0.60 -3.97 113.70 121.08 3d9r s SER 130 Ca -0.08 -0.67 -0.26 0.00 0.48 0.00 0.00 55.95 55.42 3d9r s SER 130 Cb -0.12 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3d9r s SER 130 CO 0.02 0.09 0.89 -0.75 0.98 0.00 0.00 173.24 174.47 3d9r s LYS 131 N -1.81 4.14 -0.03 4.02 2.20 -1.26 -1.27 119.74 125.73 3d9r s LYS 131 Ca 0.08 0.97 -0.23 0.00 -0.36 0.00 0.00 55.97 56.43 3d9r s LYS 131 Cb -0.10 -3.67 -0.24 0.00 -1.51 0.00 0.00 37.83 32.31 3d9r s LYS 131 CO 0.04 -0.62 1.05 0.82 -0.36 0.00 0.00 175.35 176.28 3d9r h ILE 132 N 5.51 1.51 -3.42 5.43 2.04 -1.49 -3.47 117.51 123.62 3d9r h ILE 132 Ca -0.22 -2.00 -0.68 0.00 1.00 0.00 0.00 64.86 62.96 3d9r h ILE 132 Cb 1.08 2.71 -0.32 0.00 -0.74 0.00 0.00 36.82 39.56 3d9r h ILE 132 CO 0.92 0.56 -0.86 -0.55 0.00 0.00 0.00 178.15 178.21 3d9r s SER 133 N -6.47 3.25 0.00 1.72 0.15 -1.14 -4.99 113.70 106.21 3d9r s SER 133 Ca -0.15 -0.51 0.23 0.00 0.70 0.00 0.00 55.95 56.22 3d9r s SER 133 Cb 0.02 -1.37 1.38 0.00 -1.71 0.00 0.00 66.02 64.33 3d9r s SER 133 CO 0.77 0.17 1.75 -0.81 1.20 0.00 0.00 173.24 176.32