#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 4.05 -0.04 4.33 3.01 -1.26 -5.08 119.74 124.75 3d9r s LYS 3 Ca 0.00 0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 54.92 3d9r s LYS 3 Cb 0.00 -3.63 -0.05 0.00 -1.01 0.00 0.00 37.83 33.13 3d9r s LYS 3 CO 0.00 -0.24 0.32 0.42 0.51 0.00 0.00 175.35 176.37 3d9r s ILE 4 N 1.95 5.18 -0.27 2.17 1.01 -1.26 -5.10 121.20 124.89 3d9r s ILE 4 Ca 0.16 0.64 -0.13 0.00 0.00 0.00 0.00 60.65 61.32 3d9r s ILE 4 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3d9r s ILE 4 CO 0.09 0.59 0.27 -0.36 0.00 0.00 0.00 174.94 175.53 3d9r s PHE 5 N -1.03 3.25 -0.07 3.97 2.99 -1.26 -5.03 117.98 120.80 3d9r s PHE 5 Ca 0.21 0.27 -0.36 0.00 0.00 0.00 0.00 56.93 57.06 3d9r s PHE 5 Cb -0.15 -2.45 -0.17 0.00 0.00 0.00 0.00 43.02 40.25 3d9r s PHE 5 CO 0.10 -0.14 1.00 -1.71 -0.00 0.00 0.00 175.22 174.47 3d9r n ASN 6 N 5.01 0.16 -0.25 1.36 2.85 -1.26 -4.76 115.26 118.37 3d9r n ASN 6 Ca -0.12 1.01 -0.02 0.00 -0.11 0.00 0.00 54.58 55.35 3d9r n ASN 6 Cb 0.51 -0.79 0.17 0.00 1.24 0.00 0.00 39.78 40.91 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 2.88 1.08 -0.31 1.20 4.22 -2.00 -1.48 114.58 120.17 3d9r h GLU 7 Ca -0.43 -0.11 -0.15 0.00 0.08 0.00 0.00 59.36 58.74 3d9r h GLU 7 Cb 1.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3d9r h GLU 7 CO 0.61 0.78 -0.40 1.49 -2.18 0.00 0.00 179.01 179.31 3d9r h GLU 8 N 1.09 0.75 -0.87 1.92 4.57 -2.00 -2.27 114.58 117.78 3d9r h GLU 8 Ca 0.28 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 3d9r h GLU 8 Cb 0.01 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3d9r h GLU 8 CO -0.05 1.02 0.44 -0.07 -1.18 0.00 0.00 179.01 179.17 3d9r h LEU 9 N 0.62 1.11 -1.20 1.64 3.38 -1.76 -0.63 115.31 118.47 3d9r h LEU 9 Ca 0.05 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3d9r h LEU 9 Cb 0.95 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3d9r h LEU 9 CO 0.09 0.91 0.55 0.00 0.09 0.00 0.00 178.44 180.08 3d9r h ALA 10 N 1.26 1.43 -0.03 1.53 0.00 -0.95 -1.10 119.26 121.40 3d9r h ALA 10 Ca 0.30 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 3d9r h ALA 10 Cb 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3d9r h ALA 10 CO -0.04 0.52 -0.93 0.28 0.00 0.00 0.00 179.25 179.08 3d9r h VAL 11 N 1.10 1.34 -0.16 0.00 2.07 -1.02 -2.39 116.25 117.19 3d9r h VAL 11 Ca 0.31 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 3d9r h VAL 11 Cb -0.09 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3d9r h VAL 11 CO -0.07 0.69 0.07 0.40 0.02 0.00 0.00 177.57 178.67 3d9r h ILE 12 N 0.34 1.15 -0.98 4.57 2.04 -1.01 -2.02 117.51 121.61 3d9r h ILE 12 Ca -0.09 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3d9r h ILE 12 Cb 1.56 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 3d9r h ILE 12 CO 0.17 0.14 0.63 -0.08 0.00 0.00 0.00 178.15 179.01 3d9r h GLU 13 N 0.10 1.30 -0.84 2.37 4.81 -1.24 -2.49 114.58 118.61 3d9r h GLU 13 Ca 0.05 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3d9r h GLU 13 Cb 0.16 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3d9r h GLU 13 CO -0.00 0.88 0.51 0.00 -0.73 0.00 0.00 179.01 179.66 3d9r h ALA 14 N 1.35 1.33 -0.60 2.92 0.00 -1.31 -0.81 119.26 122.13 3d9r h ALA 14 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3d9r h ALA 14 Cb -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.30 3d9r h ALA 14 CO -0.07 0.59 0.33 0.00 0.00 0.00 0.00 179.25 180.10 3d9r h ALA 15 N 1.41 0.77 -0.39 0.00 0.00 -0.93 0.34 119.26 120.46 3d9r h ALA 15 Ca 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3d9r h ALA 15 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3d9r h ALA 15 CO -0.06 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.58 3d9r h ALA 16 N 1.16 0.51 -0.21 0.00 0.00 -1.15 -3.08 119.26 116.48 3d9r h ALA 16 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3d9r h ALA 16 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d9r h ALA 16 CO -0.03 0.17 -0.10 0.82 0.00 0.00 0.00 179.25 180.11 3d9r h ILE 17 N 0.48 1.19 -1.00 0.00 2.04 -1.03 -2.15 117.51 117.04 3d9r h ILE 17 Ca 0.12 -0.81 0.12 0.00 1.00 0.00 0.00 64.86 65.29 3d9r h ILE 17 Cb 0.28 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 3d9r h ILE 17 CO -0.00 0.26 0.63 0.00 0.00 0.00 0.00 178.15 179.04 3d9r h ALA 18 N 1.59 1.52 0.42 1.87 0.00 -0.84 -0.87 119.26 122.95 3d9r h ALA 18 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3d9r h ALA 18 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d9r h ALA 18 CO 0.02 0.24 -0.20 -0.92 0.00 0.00 0.00 179.25 178.39 3d9r h TYR 19 N 1.01 -0.52 -0.97 0.00 3.20 -1.40 -2.44 116.97 115.85 3d9r h TYR 19 Ca 0.49 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.41 3d9r h TYR 19 Cb 0.47 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.84 3d9r h TYR 19 CO -0.00 -0.22 0.62 -0.07 -1.64 0.00 0.00 178.16 176.85 3d9r h LEU 20 N -0.78 0.99 -0.29 2.82 3.38 -1.18 0.46 115.31 120.72 3d9r h LEU 20 Ca -0.06 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3d9r h LEU 20 Cb 0.54 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3d9r h LEU 20 CO 0.09 0.63 -0.49 0.71 0.09 0.00 0.00 178.44 179.48 3d9r h THR 21 N 1.13 1.28 -0.58 0.22 1.35 -1.26 -1.43 112.91 113.62 3d9r h THR 21 Ca 0.42 -1.68 -0.08 0.00 -0.55 0.00 0.00 66.41 64.52 3d9r h THR 21 Cb 0.17 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3d9r h THR 21 CO -0.17 0.55 0.04 0.00 -0.25 0.00 0.00 175.52 175.68 3d9r h ALA 22 N 0.68 0.77 -0.51 6.62 0.00 -0.86 -1.02 119.26 124.95 3d9r h ALA 22 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3d9r h ALA 22 Cb 1.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3d9r h ALA 22 CO 0.11 0.58 0.29 0.35 0.00 0.00 0.00 179.25 180.58 3d9r h PHE 23 N 0.89 0.69 0.00 0.00 3.57 -0.12 -0.36 116.94 121.60 3d9r h PHE 23 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3d9r h PHE 23 Cb 0.50 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3d9r h PHE 23 CO 0.04 0.50 0.00 -0.97 -2.23 0.00 0.00 178.31 175.64 3d9r h ASN 24 N 0.68 0.00 0.33 0.41 -1.24 -1.03 -0.62 115.58 114.11 3d9r h ASN 24 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 3d9r h ASN 24 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 3d9r h ASN 24 CO -0.03 0.00 -0.06 0.54 -1.29 0.00 0.00 177.43 176.59 3d9r n ARG 25 N -2.93 0.73 -3.79 6.67 1.74 -0.41 -4.95 116.66 113.73 3d9r n ARG 25 Ca 0.03 -0.19 -0.29 0.00 -0.77 0.00 0.00 57.85 56.63 3d9r n ARG 25 Cb 0.41 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.97 -1.24 -3.26 7.54 0.00 -0.24 -4.93 120.51 117.41 3d9r n ALA 26 Ca 0.16 0.21 -0.46 0.00 0.00 0.00 0.00 53.44 53.35 3d9r n ALA 26 Cb 0.25 -4.40 -0.04 0.00 0.00 0.00 0.00 19.45 15.26 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 -3.21 6.34 0.06 0.00 -1.08 -0.20 -4.94 116.67 113.64 3d9r s ASP 27 Ca 0.62 -1.93 -0.18 0.00 -0.52 0.00 0.00 52.55 50.54 3d9r s ASP 27 Cb -0.31 -2.24 -0.12 0.00 -1.46 0.00 0.00 42.92 38.79 3d9r s ASP 27 CO 0.76 -0.86 1.37 0.40 0.52 0.00 0.00 175.17 177.37 3d9r h ILE 28 N 5.64 1.33 -0.93 4.11 2.04 -1.92 -0.02 117.51 127.76 3d9r h ILE 28 Ca -0.19 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.31 3d9r h ILE 28 Cb 1.08 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 3d9r h ILE 28 CO 0.99 0.42 0.61 -0.65 0.00 0.00 0.00 178.15 179.52 3d9r h PRO 29 N 0.18 1.17 -0.79 2.37 0.11 -1.98 0.45 132.00 133.51 3d9r h PRO 29 Ca 0.03 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 3d9r h PRO 29 Cb 0.77 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 3d9r h PRO 29 CO 0.05 0.78 0.31 0.00 -0.21 0.00 0.00 178.00 178.92 3d9r h ALA 30 N 1.37 1.02 0.21 -0.75 0.00 -1.88 -1.34 119.26 117.89 3d9r h ALA 30 Ca 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3d9r h ALA 30 Cb -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3d9r h ALA 30 CO -0.10 0.66 -0.10 0.28 0.00 0.00 0.00 179.25 179.98 3d9r h VAL 31 N 1.15 0.81 -0.95 0.00 2.07 -0.55 -2.99 116.25 115.78 3d9r h VAL 31 Ca 0.26 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.79 3d9r h VAL 31 Cb 0.23 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3d9r h VAL 31 CO -0.02 0.01 0.62 0.40 0.02 0.00 0.00 177.57 178.60 3d9r h ILE 32 N -0.31 1.05 0.00 4.57 1.08 -0.82 -2.12 117.51 120.95 3d9r h ILE 32 Ca -0.03 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3d9r h ILE 32 Cb 0.24 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 3d9r h ILE 32 CO 0.05 0.19 0.00 0.00 -0.69 0.00 0.00 178.15 177.70 3d9r h ALA 33 N 1.50 1.00 0.00 1.87 0.00 -1.10 -2.27 119.26 120.25 3d9r h ALA 33 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3d9r h ALA 33 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3d9r h ALA 33 CO -0.17 0.00 0.00 1.79 0.00 0.00 0.00 179.25 180.87 3d9r h THR 34 N 0.00 0.00 -3.37 0.00 1.35 -1.27 -3.46 112.91 106.16 3d9r h THR 34 Ca 0.00 -0.55 -0.54 0.00 -0.55 0.00 0.00 66.41 64.77 3d9r h THR 34 Cb 0.38 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 68.27 3d9r h THR 34 CO 0.00 0.00 -0.14 -0.31 -0.25 0.00 0.00 175.52 174.82 3d9r s TYR 35 N -3.26 3.44 0.86 4.73 2.02 -0.86 -1.03 117.35 123.24 3d9r s TYR 35 Ca 0.07 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.46 3d9r s TYR 35 Cb 0.09 -2.20 0.11 0.00 -0.40 0.00 0.00 41.96 39.56 3d9r s TYR 35 CO 0.56 0.27 1.10 0.95 -1.57 0.00 0.00 175.55 176.86 3d9r s THR 36 N -1.84 2.80 0.41 -0.71 -4.23 -0.55 -4.79 115.64 106.73 3d9r s THR 36 Ca 0.46 0.26 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 3d9r s THR 36 Cb -0.11 -2.63 0.22 0.00 1.34 0.00 0.00 72.50 71.32 3d9r s THR 36 CO 0.23 -0.34 2.01 0.44 -0.54 0.00 0.00 174.62 176.42 3d9r h ASP 37 N -1.49 0.32 -0.62 3.99 3.32 -1.95 -1.40 116.42 118.60 3d9r h ASP 37 Ca -0.46 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 3d9r h ASP 37 Cb 1.26 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 3d9r h ASP 37 CO 0.50 0.32 0.15 -0.90 -1.72 0.00 0.00 179.24 177.60 3d9r n ASP 38 N -4.40 4.89 -4.74 6.45 5.75 -1.26 -3.30 116.55 119.94 3d9r n ASP 38 Ca 0.01 -3.00 -0.37 0.00 -0.01 0.00 0.00 54.79 51.42 3d9r n ASP 38 Cb 0.15 -0.71 0.05 0.00 -1.03 0.00 0.00 41.12 39.58 3d9r n ASP 38 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3d9r s GLY 39 N -0.80 2.84 -0.06 6.12 0.00 -0.53 -4.35 107.32 110.55 3d9r s GLY 39 Ca 0.50 1.19 0.05 0.00 0.00 0.00 0.00 44.72 46.46 3d9r s GLY 39 CO 0.13 1.63 -0.22 0.14 0.00 0.00 0.00 173.10 174.78 3d9r s VAL 40 N -1.42 1.79 0.35 1.40 1.01 -0.59 -0.47 120.40 122.46 3d9r s VAL 40 Ca 0.79 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3d9r s VAL 40 Cb -0.36 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3d9r s VAL 40 CO 0.40 0.50 0.22 -0.11 0.00 0.00 0.00 175.10 176.11 3d9r n LEU 41 N 3.09 0.00 0.00 3.92 7.94 -0.52 -0.80 117.00 130.63 3d9r n LEU 41 Ca -0.18 -1.86 0.00 0.00 -1.11 0.00 0.00 56.01 52.86 3d9r n LEU 41 Cb 0.52 0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3d9r n LEU 41 CO 0.25 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.70 3d9r n GLY 43 N 0.83 2.84 3.77 -3.96 0.00 -1.26 -1.42 105.19 105.98 3d9r n GLY 43 Ca -0.03 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.07 4.55 0.00 1.61 0.02 -1.26 -3.31 135.00 134.54 3d9r s PRO 44 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.60 3d9r s PRO 44 Cb 0.00 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3d9r s PRO 44 CO 0.00 0.19 0.00 0.41 -0.33 0.00 0.00 177.00 177.27 3d9r n GLY 45 N 0.91 1.47 2.98 0.52 0.00 -1.26 -5.00 105.19 104.81 3d9r n GLY 45 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.02 0.32 0.82 1.61 0.52 -1.21 -5.16 118.95 115.83 3d9r s ARG 46 Ca 0.00 -0.48 -0.12 0.00 -0.52 0.00 0.00 55.73 54.61 3d9r s ARG 46 Cb 0.00 -0.08 0.08 0.00 0.52 0.00 0.00 34.95 35.48 3d9r s ARG 46 CO 0.00 0.00 1.15 -1.25 0.02 0.00 0.00 175.30 175.22 3d9r s PRO 47 N -1.06 1.90 0.41 3.54 0.04 -1.26 -4.39 135.00 134.18 3d9r s PRO 47 Ca -0.09 0.25 -0.25 0.00 0.04 0.00 0.00 61.00 60.94 3d9r s PRO 47 Cb -0.07 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 3d9r s PRO 47 CO -0.00 -1.67 1.22 0.00 0.04 0.00 0.00 177.00 176.59 3d9r n ALA 48 N -3.40 1.06 -2.95 8.56 0.00 -1.26 -4.83 120.51 117.69 3d9r n ALA 48 Ca 0.07 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 3d9r n ALA 48 Cb 0.60 -2.23 -0.12 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 -1.20 3.25 -0.25 0.00 0.00 -0.51 -4.96 121.76 118.08 3d9r s ALA 49 Ca 0.61 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3d9r s ALA 49 Cb -0.53 -2.05 0.05 0.00 0.00 0.00 0.00 23.12 20.60 3d9r s ALA 49 CO 0.58 -0.29 -0.11 0.08 0.00 0.00 0.00 175.76 176.02 3d9r s VAL 50 N 1.26 2.26 0.00 0.00 1.01 -1.26 -1.44 120.40 122.23 3d9r s VAL 50 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3d9r s VAL 50 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3d9r s VAL 50 CO 0.04 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3d9r n GLY 51 N 4.48 1.60 0.24 4.51 0.00 0.37 -4.42 105.19 111.98 3d9r n GLY 51 Ca -0.15 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 0.23 0.08 1.61 1.57 -1.82 -0.70 116.57 117.54 3d9r h LYS 52 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3d9r h LYS 52 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3d9r h LYS 52 CO 0.00 0.37 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.77 3d9r h ASP 53 N 0.22 -0.09 -0.38 0.86 3.32 -1.91 -0.76 116.42 117.68 3d9r h ASP 53 Ca 0.04 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3d9r h ASP 53 Cb 0.37 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3d9r h ASP 53 CO 0.02 0.15 0.11 -0.33 -1.72 0.00 0.00 179.24 177.46 3d9r h GLU 54 N -0.33 0.67 0.04 3.56 5.08 -1.71 -2.48 114.58 119.42 3d9r h GLU 54 Ca -0.01 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3d9r h GLU 54 Cb 0.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3d9r h GLU 54 CO 0.02 0.61 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.55 3d9r h LEU 55 N 0.65 -0.04 -0.57 1.33 3.38 -1.04 -2.34 115.31 116.67 3d9r h LEU 55 Ca 0.15 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3d9r h LEU 55 Cb 0.25 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3d9r h LEU 55 CO -0.00 0.15 0.13 0.00 0.09 0.00 0.00 178.44 178.81 3d9r h ALA 56 N 0.72 0.68 -0.87 1.53 0.00 -1.08 -1.84 119.26 118.38 3d9r h ALA 56 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d9r h ALA 56 Cb 0.22 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3d9r h ALA 56 CO 0.01 -0.29 0.55 1.05 0.00 0.00 0.00 179.25 180.57 3d9r h GLU 57 N 0.27 1.17 -0.17 0.00 9.09 -1.33 -1.19 114.58 122.42 3d9r h GLU 57 Ca 0.29 -0.09 -0.06 0.00 0.05 0.00 0.00 59.36 59.55 3d9r h GLU 57 Cb 0.42 -0.25 -0.00 0.00 -1.65 0.00 0.00 28.75 27.26 3d9r h GLU 57 CO -0.37 0.80 -0.14 0.28 0.05 0.00 0.00 179.01 179.63 3d9r h VAL 58 N 1.19 1.33 -0.19 -1.06 2.07 -0.91 -2.52 116.25 116.16 3d9r h VAL 58 Ca 0.32 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 3d9r h VAL 58 Cb -0.09 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3d9r h VAL 58 CO -0.06 0.38 -0.29 1.88 0.02 0.00 0.00 177.57 179.50 3d9r h TYR 59 N 0.05 0.41 -0.22 1.57 0.05 -1.28 -0.17 116.97 117.38 3d9r h TYR 59 Ca 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3d9r h TYR 59 Cb 0.66 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3d9r h TYR 59 CO 0.08 0.62 0.11 1.25 -1.05 0.00 0.00 178.16 179.17 3d9r h LEU 60 N 0.32 0.28 -1.12 3.88 5.85 -1.20 -1.77 115.31 121.56 3d9r h LEU 60 Ca 0.05 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3d9r h LEU 60 Cb 0.67 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3d9r h LEU 60 CO 0.05 0.31 0.08 -1.28 -0.34 0.00 0.00 178.44 177.26 3d9r h SER 61 N 0.23 0.66 0.06 1.25 0.87 -0.99 -1.38 113.55 114.24 3d9r h SER 61 Ca 0.08 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3d9r h SER 61 Cb 0.10 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3d9r h SER 61 CO -0.01 0.67 -0.03 0.58 -0.53 0.00 0.00 176.83 177.52 3d9r h VAL 62 N 0.68 1.08 0.00 2.23 2.07 -0.83 -2.48 116.25 119.00 3d9r h VAL 62 Ca 0.15 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3d9r h VAL 62 Cb 0.30 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3d9r h VAL 62 CO 0.00 0.12 -0.10 -0.26 0.02 0.00 0.00 177.57 177.35 3d9r h PHE 63 N -0.28 0.00 -0.41 1.57 0.04 -1.24 0.04 116.94 116.66 3d9r h PHE 63 Ca -0.01 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 3d9r h PHE 63 Cb 0.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3d9r h PHE 63 CO -0.01 0.10 -0.32 0.93 -0.60 0.00 0.00 178.31 178.41 3d9r h GLU 64 N 0.00 0.93 0.19 1.51 5.08 -1.25 -3.37 114.58 117.67 3d9r h GLU 64 Ca -0.00 -0.45 -0.34 0.00 -1.00 0.00 0.00 59.36 57.57 3d9r h GLU 64 Cb 0.85 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 3d9r h GLU 64 CO 0.01 1.11 -1.67 1.15 -1.00 0.00 0.00 179.01 178.61 3d9r h THR 65 N 0.78 1.03 -3.87 1.13 2.02 -0.96 -3.45 112.91 109.58 3d9r h THR 65 Ca 0.08 -2.59 -0.29 0.00 0.77 0.00 0.00 66.41 64.37 3d9r h THR 65 Cb 0.90 2.81 -0.27 0.00 -1.74 0.00 0.00 68.15 69.85 3d9r h THR 65 CO 0.08 0.84 -0.74 -0.69 0.37 0.00 0.00 175.52 175.39 3d9r s VAL 66 N -2.59 0.31 -0.19 3.16 1.01 -0.04 -1.31 120.40 120.75 3d9r s VAL 66 Ca -0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3d9r s VAL 66 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3d9r s VAL 66 CO 0.87 0.02 0.04 -0.83 0.00 0.00 0.00 175.10 175.20 3d9r s GLY 67 N -0.27 1.82 -0.13 4.51 0.00 0.57 -4.30 107.32 109.52 3d9r s GLY 67 Ca -0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 3d9r s GLY 67 CO -0.00 0.16 0.01 -1.36 0.00 0.00 0.00 173.10 171.91 3d9r s PHE 68 N 0.73 3.17 -0.11 1.90 0.08 -1.26 0.04 117.98 122.52 3d9r s PHE 68 Ca 0.02 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.14 3d9r s PHE 68 Cb -0.14 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3d9r s PHE 68 CO 0.02 0.28 -0.14 0.34 -0.10 0.00 0.00 175.22 175.61 3d9r s ASP 69 N -0.28 2.41 -0.01 1.36 2.15 -0.28 -4.98 116.67 117.05 3d9r s ASP 69 Ca 0.06 -0.42 -0.02 0.00 0.43 0.00 0.00 52.55 52.60 3d9r s ASP 69 Cb -0.12 -1.07 -0.00 0.00 -0.30 0.00 0.00 42.92 41.42 3d9r s ASP 69 CO 0.02 0.00 0.04 0.00 -0.17 0.00 0.00 175.17 175.06 3d9r s ALA 71 N 1.06 -0.09 0.21 3.66 0.00 0.38 -1.18 121.76 125.80 3d9r s ALA 71 Ca -0.05 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 51.88 3d9r s ALA 71 Cb -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3d9r s ALA 71 CO -0.03 -0.09 0.16 1.52 0.00 0.00 0.00 175.76 177.33 3d9r s TYR 72 N -0.57 3.12 -0.03 0.00 -0.85 -1.26 -0.79 117.35 116.98 3d9r s TYR 72 Ca -0.06 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.43 3d9r s TYR 72 Cb -0.04 -1.45 0.02 0.00 0.38 0.00 0.00 41.96 40.86 3d9r s TYR 72 CO -0.00 0.52 -0.03 -1.21 -1.52 0.00 0.00 175.55 173.31 3d9r s GLU 73 N -3.48 0.54 -0.13 -3.49 2.02 0.75 -4.97 118.70 109.94 3d9r s GLU 73 Ca 0.32 -0.08 -0.23 0.00 0.02 0.00 0.00 54.97 55.00 3d9r s GLU 73 Cb -0.09 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 3d9r s GLU 73 CO 0.24 -0.03 0.69 0.42 0.02 0.00 0.00 175.26 176.60 3d9r s ILE 74 N 0.60 5.01 -0.20 -1.63 -1.09 -1.26 -1.14 121.20 121.49 3d9r s ILE 74 Ca -0.07 1.37 0.07 0.00 -2.23 0.00 0.00 60.65 59.79 3d9r s ILE 74 Cb -0.10 -4.01 -0.17 0.00 -1.58 0.00 0.00 42.46 36.59 3d9r s ILE 74 CO -0.00 0.16 -0.09 0.29 -1.23 0.00 0.00 174.94 174.07 3d9r n LYS 75 N 4.49 0.82 -3.56 2.79 4.76 0.18 -4.98 118.16 122.65 3d9r n LYS 75 Ca -0.00 0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.34 3d9r n LYS 75 Cb 0.50 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 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 -2.42 0.98 -0.18 1.97 -1.05 -1.01 -4.95 118.70 112.05 3d9r s GLU 76 Ca -0.21 0.30 -0.00 0.00 -0.15 0.00 0.00 54.97 54.90 3d9r s GLU 76 Cb 0.07 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.26 3d9r s GLU 76 CO 0.57 -0.28 -0.05 0.08 0.95 0.00 0.00 175.26 176.53 3d9r s VAL 77 N -1.01 1.16 -0.07 1.83 1.01 -1.26 -1.16 120.40 120.90 3d9r s VAL 77 Ca -0.10 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3d9r s VAL 77 Cb -0.01 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.03 3d9r s VAL 77 CO 0.08 0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.49 3d9r s VAL 78 N 1.60 0.99 -0.25 2.92 1.01 -0.03 -5.02 120.40 121.62 3d9r s VAL 78 Ca -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3d9r s VAL 78 Cb -0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3d9r s VAL 78 CO -0.08 0.33 0.23 -1.58 0.00 0.00 0.00 175.10 174.01 3d9r s GLN 79 N 0.90 4.05 -0.04 2.72 0.74 -1.26 -0.42 119.66 126.35 3d9r s GLN 79 Ca -0.11 -0.16 0.21 0.00 0.05 0.00 0.00 55.36 55.36 3d9r s GLN 79 Cb -0.15 -3.58 -0.30 0.00 1.10 0.00 0.00 33.01 30.08 3d9r s GLN 79 CO 0.01 -0.05 0.46 0.25 -0.55 0.00 0.00 175.29 175.41 3d9r n THR 80 N 4.57 0.25 -3.81 -0.34 -2.24 -0.52 -4.96 114.28 107.23 3d9r n THR 80 Ca -0.13 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 61.01 3d9r n THR 80 Cb 0.52 -0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.68 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 -4.73 0.03 0.29 3.42 1.04 -1.07 -4.99 113.70 107.69 3d9r s SER 81 Ca -0.08 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.24 3d9r s SER 81 Cb 0.13 0.82 0.64 0.00 0.10 0.00 0.00 66.02 67.70 3d9r s SER 81 CO 0.89 -1.64 1.78 0.00 0.98 0.00 0.00 173.24 175.25 3d9r h ALA 82 N 2.00 1.50 -0.13 5.32 0.00 -2.03 -3.04 119.26 122.88 3d9r h ALA 82 Ca -0.33 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3d9r h ALA 82 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3d9r h ALA 82 CO 0.42 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.38 3d9r n ASP 83 N -4.79 2.15 -4.07 0.00 8.00 -1.26 -4.89 116.55 111.68 3d9r n ASP 83 Ca 0.20 -1.67 -0.16 0.00 0.71 0.00 0.00 54.79 53.87 3d9r n ASP 83 Cb 0.50 -0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.82 0.83 0.22 1.24 0.52 -1.15 -0.51 118.94 119.28 3d9r s TRP 84 Ca 0.12 -0.34 -0.20 0.00 0.02 0.00 0.00 56.10 55.70 3d9r s TRP 84 Cb 0.07 -0.50 0.03 0.00 -1.15 0.00 0.00 33.47 31.92 3d9r s TRP 84 CO 0.10 -0.02 0.62 0.00 0.02 0.00 0.00 176.95 177.67 3d9r s ALA 85 N -0.87 -1.15 0.06 0.98 0.00 -0.48 -1.44 121.76 118.86 3d9r s ALA 85 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3d9r s ALA 85 Cb -0.07 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3d9r s ALA 85 CO 0.01 -0.89 -0.05 -0.59 0.00 0.00 0.00 175.76 174.24 3d9r s PHE 86 N -3.87 0.60 -0.00 0.00 -0.12 0.44 -0.24 117.98 114.80 3d9r s PHE 86 Ca 0.09 -0.87 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 3d9r s PHE 86 Cb -0.03 -0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 3d9r s PHE 86 CO -0.00 -0.25 -0.05 0.08 -0.05 0.00 0.00 175.22 174.95 3d9r s VAL 87 N -3.12 0.41 -0.10 -2.49 1.01 -0.68 -0.85 120.40 114.57 3d9r s VAL 87 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3d9r s VAL 87 Cb 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3d9r s VAL 87 CO -0.06 0.07 -0.22 -0.60 0.00 0.00 0.00 175.10 174.29 3d9r s ARG 88 N -0.23 2.86 0.34 2.72 3.52 -0.31 -0.75 118.95 127.09 3d9r s ARG 88 Ca 0.01 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 3d9r s ARG 88 Cb -0.03 -2.19 -0.05 0.00 -1.56 0.00 0.00 34.95 31.13 3d9r s ARG 88 CO -0.00 0.14 0.09 -1.54 -0.81 0.00 0.00 175.30 173.18 3d9r s SER 89 N 0.43 2.25 -0.01 -2.12 1.04 -0.56 0.48 113.70 115.20 3d9r s SER 89 Ca -0.17 -1.48 -0.01 0.00 0.48 0.00 0.00 55.95 54.76 3d9r s SER 89 Cb -0.17 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3d9r s SER 89 CO 0.07 -0.75 0.03 0.00 0.98 0.00 0.00 173.24 173.57 3d9r s ALA 90 N -3.37 -0.06 0.02 5.32 0.00 -0.29 -1.45 121.76 121.93 3d9r s ALA 90 Ca 0.33 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3d9r s ALA 90 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3d9r s ALA 90 CO 0.15 -0.03 -0.19 0.95 0.00 0.00 0.00 175.76 176.64 3d9r s THR 91 N -0.14 1.49 0.03 0.00 -4.23 -0.20 -0.18 115.64 112.41 3d9r s THR 91 Ca -0.02 -1.01 -0.10 0.00 -1.18 0.00 0.00 61.69 59.38 3d9r s THR 91 Cb -0.01 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.55 3d9r s THR 91 CO -0.00 0.24 0.20 -1.83 -0.54 0.00 0.00 174.62 172.70 3d9r s GLU 92 N -0.90 0.67 0.00 3.99 -1.05 0.03 -1.03 118.70 120.41 3d9r s GLU 92 Ca 0.06 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 3d9r s GLU 92 Cb -0.08 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3d9r s GLU 92 CO 0.01 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.44 3d9r n GLY 93 N 0.84 -0.41 3.52 -3.83 0.00 0.00 -0.47 105.19 104.84 3d9r n GLY 93 Ca -0.20 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.48 2.49 -0.09 2.61 -4.23 -0.33 0.22 115.64 112.84 3d9r s THR 94 Ca 0.00 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 3d9r s THR 94 Cb 0.00 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3d9r s THR 94 CO 0.00 -0.31 -0.08 -0.70 -0.54 0.00 0.00 174.62 172.99 3d9r s GLU 95 N -3.57 1.41 -0.20 3.99 2.12 0.97 -1.12 118.70 122.29 3d9r s GLU 95 Ca 0.31 -0.25 -0.05 0.00 0.36 0.00 0.00 54.97 55.35 3d9r s GLU 95 Cb -0.02 -1.39 -0.02 0.00 0.26 0.00 0.00 34.13 32.96 3d9r s GLU 95 CO 0.16 -0.16 -0.02 0.99 -0.54 0.00 0.00 175.26 175.69 3d9r s THR 96 N 1.33 3.83 -0.03 -1.70 2.01 0.11 -0.39 115.64 120.80 3d9r s THR 96 Ca -0.03 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 3d9r s THR 96 Cb -0.14 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3d9r s THR 96 CO -0.04 0.44 1.25 0.21 -0.69 0.00 0.00 174.62 175.79 3d9r s ASN 97 N 0.97 7.01 0.20 3.53 3.84 -0.81 -0.32 114.94 129.36 3d9r s ASN 97 Ca 0.01 1.90 0.11 0.00 0.21 0.00 0.00 52.86 55.09 3d9r s ASN 97 Cb -0.14 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 37.97 3d9r s ASN 97 CO 0.01 -0.61 1.38 0.11 -2.79 0.00 0.00 177.10 175.21 3d9r h LYS 98 N 7.48 0.00 0.46 0.43 1.57 -1.51 0.37 116.57 125.38 3d9r h LYS 98 Ca -0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3d9r h LYS 98 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3d9r h LYS 98 CO 0.88 0.77 -0.22 0.00 -0.57 0.00 0.00 179.45 180.31 3d9r h ALA 99 N 1.23 -0.78 0.00 3.86 0.00 -1.90 -3.37 119.26 118.30 3d9r h ALA 99 Ca -0.01 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3d9r h ALA 99 Cb 1.55 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 3d9r h ALA 99 CO 0.10 -0.74 -0.60 1.79 0.00 0.00 0.00 179.25 179.80 3d9r h THR 100 N -0.90 1.04 0.00 0.00 1.35 -1.95 -3.47 112.91 108.98 3d9r h THR 100 Ca -0.06 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3d9r h THR 100 Cb 0.47 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3d9r h THR 100 CO 0.10 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3d9r n GLY 101 N 1.22 1.48 3.67 5.82 0.00 0.13 -5.02 105.19 112.50 3d9r n GLY 101 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.90 3.73 -0.22 1.61 1.01 -1.24 -4.70 120.40 117.69 3d9r s VAL 102 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 3d9r s VAL 102 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3d9r s VAL 102 CO 0.00 -0.06 0.35 -0.69 0.00 0.00 0.00 175.10 174.70 3d9r s VAL 103 N 3.45 5.23 0.10 2.92 1.01 -1.26 -1.92 120.40 129.92 3d9r s VAL 103 Ca 0.67 0.59 0.06 0.00 0.00 0.00 0.00 61.98 63.30 3d9r s VAL 103 Cb -0.31 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3d9r s VAL 103 CO 0.26 0.26 -0.15 0.42 0.00 0.00 0.00 175.10 175.89 3d9r s THR 104 N 1.33 1.28 0.56 3.92 -4.23 0.48 -4.95 115.64 114.04 3d9r s THR 104 Ca 0.16 -1.51 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 3d9r s THR 104 Cb -0.15 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 3d9r s THR 104 CO 0.07 -0.28 1.23 -2.16 -0.54 0.00 0.00 174.62 172.93 3d9r s PRO 105 N -2.16 3.12 -0.12 3.99 0.04 -1.26 -0.02 135.00 138.59 3d9r s PRO 105 Ca 0.04 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 3d9r s PRO 105 Cb -0.08 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3d9r s PRO 105 CO 0.03 -1.10 0.31 0.00 0.04 0.00 0.00 177.00 176.28 3d9r s ALA 106 N -1.54 -0.77 -0.01 8.56 0.00 0.13 -4.22 121.76 123.91 3d9r s ALA 106 Ca 0.74 1.01 -0.00 0.00 0.00 0.00 0.00 51.96 53.71 3d9r s ALA 106 Cb -0.32 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3d9r s ALA 106 CO 0.36 -0.18 0.02 0.00 0.00 0.00 0.00 175.76 175.96 3d9r s ALA 107 N 0.60 0.03 0.16 0.00 0.00 -0.79 -0.82 121.76 120.94 3d9r s ALA 107 Ca -0.04 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3d9r s ALA 107 Cb -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3d9r s ALA 107 CO -0.04 -0.05 -0.02 0.71 0.00 0.00 0.00 175.76 176.37 3d9r s TYR 108 N 0.48 1.19 0.01 0.00 1.51 -0.19 -0.62 117.35 119.73 3d9r s TYR 108 Ca -0.04 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.06 3d9r s TYR 108 Cb -0.06 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 3d9r s TYR 108 CO -0.01 -0.17 -0.05 1.14 -1.11 0.00 0.00 175.55 175.35 3d9r s GLN 109 N -3.89 0.36 0.02 -0.62 -2.07 -0.82 -1.03 119.66 111.60 3d9r s GLN 109 Ca 0.22 -0.29 0.03 0.00 -1.82 0.00 0.00 55.36 53.50 3d9r s GLN 109 Cb 0.06 -0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 31.69 3d9r s GLN 109 CO 0.03 0.07 -0.10 -1.21 -1.32 0.00 0.00 175.29 172.76 3d9r s GLU 110 N -0.47 0.72 -0.14 9.60 8.01 -0.53 -1.54 118.70 134.35 3d9r s GLU 110 Ca -0.02 -0.51 0.02 0.00 0.01 0.00 0.00 54.97 54.48 3d9r s GLU 110 Cb -0.04 -0.67 0.01 0.00 -4.31 0.00 0.00 34.13 29.13 3d9r s GLU 110 CO -0.00 0.17 -0.20 -1.17 0.01 0.00 0.00 175.26 174.07 3d9r s LEU 111 N -0.70 1.99 -0.16 1.80 2.96 -0.03 -1.49 118.68 123.04 3d9r s LEU 111 Ca 0.00 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 3d9r s LEU 111 Cb -0.06 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3d9r s LEU 111 CO 0.00 0.04 0.00 -0.36 -1.32 0.00 0.00 176.35 174.72 3d9r s PHE 112 N 0.97 3.12 -0.31 5.38 0.40 0.07 -1.77 117.98 125.84 3d9r s PHE 112 Ca -0.04 -0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.07 3d9r s PHE 112 Cb -0.15 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3d9r s PHE 112 CO -0.04 0.06 0.14 -1.17 0.70 0.00 0.00 175.22 174.91 3d9r s LEU 113 N 0.30 4.10 -0.01 -0.37 2.96 0.16 -1.69 118.68 124.13 3d9r s LEU 113 Ca -0.01 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3d9r s LEU 113 Cb -0.13 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3d9r s LEU 113 CO 0.02 -0.21 0.01 -0.76 -1.32 0.00 0.00 176.35 174.09 3d9r s LEU 114 N 1.58 3.57 -0.03 -0.68 1.02 0.67 -0.18 118.68 124.62 3d9r s LEU 114 Ca 0.04 0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.26 3d9r s LEU 114 Cb -0.17 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.00 3d9r s LEU 114 CO 0.05 0.29 -0.17 -0.60 0.02 0.00 0.00 176.35 175.94 3d9r s ARG 115 N -1.51 1.68 -0.35 1.70 3.52 0.26 -1.38 118.95 122.87 3d9r s ARG 115 Ca 0.19 -0.61 -0.24 0.00 -0.13 0.00 0.00 55.73 54.94 3d9r s ARG 115 Cb -0.12 -1.50 0.01 0.00 -1.56 0.00 0.00 34.95 31.78 3d9r s ARG 115 CO 0.10 0.28 0.83 0.21 -0.81 0.00 0.00 175.30 175.91 3d9r s LYS 116 N -0.10 3.85 1.04 5.12 2.20 0.34 -0.93 119.74 131.26 3d9r s LYS 116 Ca -0.01 0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 55.97 3d9r s LYS 116 Cb -0.10 -3.78 0.20 0.00 -1.51 0.00 0.00 37.83 32.64 3d9r s LYS 116 CO 0.01 -0.82 1.00 -1.13 -0.36 0.00 0.00 175.35 174.05 3d9r n SER 117 N 6.45 -0.82 0.31 1.43 3.41 0.27 -4.83 113.62 119.85 3d9r n SER 117 Ca 0.05 0.14 0.17 0.00 -0.26 0.00 0.00 58.87 58.97 3d9r n SER 117 Cb 0.48 -1.35 1.01 0.00 -0.26 0.00 0.00 64.21 64.09 3d9r n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d9r h ALA 118 N -2.24 1.35 -0.60 7.33 0.00 -1.96 -0.85 119.26 122.29 3d9r h ALA 118 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 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 0.44 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.95 3d9r n THR 119 N -3.60 1.20 -0.35 0.00 -2.24 -1.26 -4.95 114.28 103.08 3d9r n THR 119 Ca -0.03 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 3d9r n THR 119 Cb 0.08 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.28 0.81 3.77 3.38 0.00 -0.32 -5.07 105.19 109.04 3d9r n GLY 120 Ca 0.22 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3d9r n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d9r s SER 121 N -2.10 5.97 -0.05 1.61 0.01 -1.26 -4.78 113.70 113.10 3d9r s SER 121 Ca 0.00 0.29 -0.26 0.00 1.31 0.00 0.00 55.95 57.29 3d9r s SER 121 Cb 0.00 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 3d9r s SER 121 CO 0.00 0.32 0.80 0.26 0.41 0.00 0.00 173.24 175.03 3d9r s TRP 122 N -0.49 3.59 0.08 2.43 0.52 -1.26 0.96 118.94 124.77 3d9r s TRP 122 Ca 0.11 1.40 0.04 0.00 0.02 0.00 0.00 56.10 57.67 3d9r s TRP 122 Cb -0.12 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 3d9r s TRP 122 CO 0.02 0.03 -0.11 -0.65 0.02 0.00 0.00 176.95 176.25 3d9r s GLN 123 N 0.99 0.81 -0.29 4.98 -0.21 -0.10 -4.89 119.66 120.95 3d9r s GLN 123 Ca 0.42 -1.05 -0.29 0.00 0.02 0.00 0.00 55.36 54.46 3d9r s GLN 123 Cb -0.19 -0.61 0.01 0.00 1.00 0.00 0.00 33.01 33.22 3d9r s GLN 123 CO 0.21 0.11 1.10 0.99 -2.12 0.00 0.00 175.29 175.58 3d9r s THR 124 N -1.93 4.50 -0.18 -0.19 2.01 -0.20 -0.58 115.64 119.07 3d9r s THR 124 Ca 0.01 1.75 -0.22 0.00 0.31 0.00 0.00 61.69 63.54 3d9r s THR 124 Cb -0.06 -4.35 -0.21 0.00 0.01 0.00 0.00 72.50 67.89 3d9r s THR 124 CO 0.01 -0.39 0.36 0.00 -0.69 0.00 0.00 174.62 173.90 3d9r h ALA 125 N 8.06 0.21 -4.11 7.40 0.00 -0.90 -1.45 119.26 128.47 3d9r h ALA 125 Ca -0.21 -1.06 -0.44 0.00 0.00 0.00 0.00 54.91 53.19 3d9r h ALA 125 Cb 1.07 0.57 -0.29 0.00 0.00 0.00 0.00 17.79 19.14 3d9r h ALA 125 CO 1.02 0.59 -0.80 1.03 0.00 0.00 0.00 179.25 181.09 3d9r s ARG 126 N -2.35 0.95 -0.04 0.00 1.81 -1.10 -1.55 118.95 116.67 3d9r s ARG 126 Ca -0.26 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.30 3d9r s ARG 126 Cb 0.04 -0.92 0.03 0.00 -0.45 0.00 0.00 34.95 33.65 3d9r s ARG 126 CO 0.63 0.25 0.08 -0.47 -0.68 0.00 0.00 175.30 175.12 3d9r s TYR 127 N -0.30 -0.06 -0.03 -0.53 5.04 0.02 -0.67 117.35 120.81 3d9r s TYR 127 Ca 0.04 0.29 0.05 0.00 -2.44 0.00 0.00 57.07 55.02 3d9r s TYR 127 Cb -0.05 -0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.10 3d9r s TYR 127 CO -0.00 -0.12 -0.18 0.00 -1.34 0.00 0.00 175.55 173.90 3d9r s THR 129 N -0.16 0.99 0.06 0.00 -1.32 -1.26 -0.85 115.64 113.10 3d9r s THR 129 Ca 0.00 -0.44 0.08 0.00 -1.21 0.00 0.00 61.69 60.13 3d9r s THR 129 Cb -0.10 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 3d9r s THR 129 CO 0.01 0.31 -0.23 -0.94 -2.21 0.00 0.00 174.62 171.57 3d9r s SER 130 N 0.40 2.71 -0.16 8.08 1.04 -0.59 -4.02 113.70 121.16 3d9r s SER 130 Ca -0.08 -0.59 -0.22 0.00 0.48 0.00 0.00 55.95 55.54 3d9r s SER 130 Cb -0.12 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 3d9r s SER 130 CO 0.02 0.16 0.66 -0.75 0.98 0.00 0.00 173.24 174.32 3d9r s LYS 131 N -1.40 4.28 -0.01 4.02 2.20 -1.26 -1.95 119.74 125.61 3d9r s LYS 131 Ca 0.09 0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 56.35 3d9r s LYS 131 Cb -0.09 -3.54 -0.30 0.00 -1.51 0.00 0.00 37.83 32.39 3d9r s LYS 131 CO 0.03 -0.16 0.82 0.82 -0.36 0.00 0.00 175.35 176.49 3d9r h ILE 132 N 5.07 1.11 -1.65 5.43 2.04 -1.20 -3.49 117.51 124.81 3d9r h ILE 132 Ca -0.34 -2.71 0.05 0.00 1.00 0.00 0.00 64.86 62.87 3d9r h ILE 132 Cb 1.15 2.80 -0.23 0.00 -0.74 0.00 0.00 36.82 39.80 3d9r h ILE 132 CO 0.78 0.83 0.45 -0.94 0.00 0.00 0.00 178.15 179.27 3d9r s SER 133 N -7.15 -0.45 0.00 1.72 1.04 -1.17 -5.00 113.70 102.69 3d9r s SER 133 Ca -0.11 0.65 0.13 0.00 0.48 0.00 0.00 55.95 57.11 3d9r s SER 133 Cb 0.06 0.58 0.81 0.00 0.10 0.00 0.00 66.02 67.57 3d9r s SER 133 CO 0.86 -0.31 1.23 -2.65 0.98 0.00 0.00 173.24 173.35