#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w9r h LEU 13 N 0.00 0.32 -0.87 1.08 3.38 -2.06 0.13 115.31 117.30 2w9r h LEU 13 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2w9r h LEU 13 Cb 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2w9r h LEU 13 CO 0.00 0.23 0.20 0.00 0.09 0.00 0.00 178.44 178.96 2w9r h ALA 14 N 1.23 1.08 -0.14 1.53 0.00 -2.06 -2.02 119.26 118.89 2w9r h ALA 14 Ca 0.19 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2w9r h ALA 14 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2w9r h ALA 14 CO -0.13 0.62 -0.48 0.93 0.00 0.00 0.00 179.25 180.19 2w9r h GLU 15 N 1.00 0.36 -0.48 0.00 5.08 -1.89 -2.16 114.58 116.48 2w9r h GLU 15 Ca 0.22 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2w9r h GLU 15 Cb 0.30 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2w9r h GLU 15 CO -0.01 0.77 -0.05 0.93 -1.00 0.00 0.00 179.01 179.65 2w9r h GLU 16 N 0.29 0.83 -0.54 2.33 5.08 -0.51 -1.62 114.58 120.44 2w9r h GLU 16 Ca 0.02 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2w9r h GLU 16 Cb 0.96 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2w9r h GLU 16 CO 0.08 0.87 0.08 0.87 -1.00 0.00 0.00 179.01 179.91 2w9r h LYS 17 N 0.76 0.86 0.09 2.33 1.57 -1.10 -2.07 116.57 119.01 2w9r h LYS 17 Ca 0.14 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2w9r h LYS 17 Cb 0.53 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2w9r h LYS 17 CO 0.03 0.81 -0.04 0.28 -0.57 0.00 0.00 179.45 179.95 2w9r h VAL 18 N 0.82 1.00 -0.44 0.50 2.07 -1.19 -3.11 116.25 115.90 2w9r h VAL 18 Ca 0.17 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.46 2w9r h VAL 18 Cb 0.37 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2w9r h VAL 18 CO 0.01 0.08 0.05 0.03 0.02 0.00 0.00 177.57 177.76 2w9r h ARG 19 N -0.27 0.17 0.00 1.57 3.08 -1.07 -1.88 114.38 115.98 2w9r h ARG 19 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2w9r h ARG 19 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2w9r h ARG 19 CO 0.02 0.11 0.00 -0.25 -1.07 0.00 0.00 179.97 178.78 2w9r n ASP 20 N -5.15 0.66 -1.69 7.04 8.00 -0.80 -2.39 116.55 122.21 2w9r n ASP 20 Ca 0.04 0.69 0.08 0.00 0.71 0.00 0.00 54.79 56.31 2w9r n ASP 20 Cb 0.22 -0.82 0.38 0.00 -0.02 0.00 0.00 41.12 40.88 2w9r n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w9r n ALA 21 N -1.78 3.65 -1.46 2.24 0.00 -0.71 -4.46 120.51 117.99 2w9r n ALA 21 Ca 0.01 -1.95 0.01 0.00 0.00 0.00 0.00 53.44 51.51 2w9r n ALA 21 Cb 0.18 -1.04 0.20 0.00 0.00 0.00 0.00 19.45 18.80 2w9r n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2w9r n LEU 22 N 0.49 3.50 -4.67 0.00 4.77 -1.01 -5.01 117.00 115.08 2w9r n LEU 22 Ca 0.26 -3.75 -0.42 0.00 -0.03 0.00 0.00 56.01 52.07 2w9r n LEU 22 Cb 1.11 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2w9r n LEU 22 CO 0.29 1.26 1.34 -0.54 -1.33 0.00 0.00 177.39 178.40 2w9r s LYS 23 N -3.21 4.20 0.45 3.23 1.02 -1.26 -4.95 119.74 119.22 2w9r s LYS 23 Ca 0.41 2.22 -0.24 0.00 0.02 0.00 0.00 55.97 58.39 2w9r s LYS 23 Cb 0.38 -3.82 -0.09 0.00 -0.52 0.00 0.00 37.83 33.78 2w9r s LYS 23 CO -0.02 -0.78 1.11 -2.30 -0.92 0.00 0.00 175.35 172.44 2w9r n PRO 24 N 6.46 1.51 -1.73 -1.68 -0.02 -1.26 -4.93 135.00 133.35 2w9r n PRO 24 Ca 0.16 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.79 2w9r n PRO 24 Cb 0.42 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2w9r n PRO 24 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2w9r n PRO 25 N -0.10 1.95 -2.39 0.52 -0.02 -1.26 -4.93 135.00 128.77 2w9r n PRO 25 Ca 0.09 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 2w9r n PRO 25 Cb 0.41 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 2w9r n PRO 25 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2w9r s SER 26 N -0.63 6.24 0.08 2.55 0.15 -1.26 -4.75 113.70 116.09 2w9r s SER 26 Ca 0.64 0.49 0.07 0.00 0.70 0.00 0.00 55.95 57.85 2w9r s SER 26 Cb -0.46 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.27 2w9r s SER 26 CO 0.55 -1.58 -0.13 -0.04 1.20 0.00 0.00 173.24 173.25 2w9r s MET 27 N 5.23 2.10 -0.05 5.44 -1.94 -1.26 -3.33 119.30 125.47 2w9r s MET 27 Ca 0.55 -1.01 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 2w9r s MET 27 Cb -0.11 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.47 2w9r s MET 27 CO 0.28 0.52 -0.13 0.71 -0.01 0.00 0.00 175.02 176.39 2w9r s TYR 28 N -1.13 1.46 0.12 -0.03 1.51 0.60 -0.44 117.35 119.45 2w9r s TYR 28 Ca 0.19 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 2w9r s TYR 28 Cb -0.11 -1.04 -0.07 0.00 -0.11 0.00 0.00 41.96 40.63 2w9r s TYR 28 CO 0.11 -0.23 1.22 0.15 -1.11 0.00 0.00 175.55 175.69 2w9r s LYS 29 N 0.43 4.45 -0.19 -0.62 1.02 0.90 -0.82 119.74 124.90 2w9r s LYS 29 Ca -0.10 1.84 -0.13 0.00 0.02 0.00 0.00 55.97 57.60 2w9r s LYS 29 Cb -0.14 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 2w9r s LYS 29 CO 0.03 -0.21 0.27 0.08 -0.92 0.00 0.00 175.35 174.60 2w9r s VAL 30 N 0.62 5.30 -0.03 3.17 1.01 -0.61 -1.92 120.40 127.95 2w9r s VAL 30 Ca 0.57 0.47 0.06 0.00 0.00 0.00 0.00 61.98 63.08 2w9r s VAL 30 Cb -0.31 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2w9r s VAL 30 CO 0.32 0.35 -0.22 -0.63 0.00 0.00 0.00 175.10 174.92 2w9r s ILE 31 N 0.79 1.76 -0.17 2.22 1.01 0.11 0.31 121.20 127.23 2w9r s ILE 31 Ca 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2w9r s ILE 31 Cb -0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2w9r s ILE 31 CO 0.04 0.50 0.10 -0.76 0.00 0.00 0.00 174.94 174.82 2w9r s LEU 32 N -0.41 4.10 -0.11 2.97 1.02 -0.49 -0.94 118.68 124.83 2w9r s LEU 32 Ca 0.05 0.24 -0.03 0.00 0.02 0.00 0.00 54.13 54.41 2w9r s LEU 32 Cb -0.10 -2.03 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 2w9r s LEU 32 CO 0.00 0.25 0.03 -0.69 0.02 0.00 0.00 176.35 175.96 2w9r s VAL 33 N -0.09 4.51 0.60 -1.59 1.01 -0.54 -1.44 120.40 122.86 2w9r s VAL 33 Ca 0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2w9r s VAL 33 Cb -0.12 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2w9r s VAL 33 CO 0.00 0.58 1.18 0.21 0.00 0.00 0.00 175.10 177.07 2w9r s ASN 34 N -0.63 5.26 0.17 3.32 2.47 0.04 -4.30 114.94 121.27 2w9r s ASN 34 Ca 0.11 2.29 -0.12 0.00 0.42 0.00 0.00 52.86 55.56 2w9r s ASN 34 Cb -0.12 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.10 2w9r s ASN 34 CO 0.02 -1.54 0.36 1.51 -3.72 0.00 0.00 177.10 173.74 2w9r s ASP 35 N -1.77 -0.06 -0.04 -4.21 1.47 -1.26 -4.96 116.67 105.84 2w9r s ASP 35 Ca 0.75 -0.71 0.08 0.00 1.18 0.00 0.00 52.55 53.85 2w9r s ASP 35 Cb -0.27 0.48 0.31 0.00 -0.34 0.00 0.00 42.92 43.09 2w9r s ASP 35 CO 0.33 -0.94 1.16 0.47 0.68 0.00 0.00 175.17 176.87 2w9r n ASP 36 N -0.25 2.16 0.00 2.11 8.00 -1.26 -4.30 116.55 123.01 2w9r n ASP 36 Ca -0.09 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.27 2w9r n ASP 36 Cb 0.63 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2w9r n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2w9r n TYR 37 N 0.37 0.00 -2.51 1.24 4.01 -1.26 -5.04 117.16 113.98 2w9r n TYR 37 Ca 0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 2w9r n TYR 37 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.41 2w9r n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2w9r s THR 38 N -1.60 4.36 0.36 -0.72 2.01 -1.26 -4.95 115.64 113.83 2w9r s THR 38 Ca 0.00 1.68 -0.28 0.00 0.31 0.00 0.00 61.69 63.39 2w9r s THR 38 Cb 0.00 -4.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.32 2w9r s THR 38 CO 0.00 0.04 1.47 -2.84 -0.69 0.00 0.00 174.62 172.60 2w9r s PRO 39 N 1.86 4.14 0.20 4.92 0.02 -1.26 -4.93 135.00 139.95 2w9r s PRO 39 Ca 0.55 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.99 2w9r s PRO 39 Cb -0.24 -2.99 0.23 0.00 0.02 0.00 0.00 34.50 31.52 2w9r s PRO 39 CO 0.23 -0.50 1.76 0.52 -0.33 0.00 0.00 177.00 178.68 2w9r h MET 40 N 3.27 0.44 -0.76 5.54 2.86 -1.99 -1.52 114.93 122.77 2w9r h MET 40 Ca -0.50 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.25 2w9r h MET 40 Cb 1.24 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 2w9r h MET 40 CO 0.66 0.29 0.50 0.93 1.06 0.00 0.00 176.91 180.36 2w9r h GLU 41 N 0.45 0.46 -0.37 1.72 4.39 -2.00 -1.92 114.58 117.31 2w9r h GLU 41 Ca 0.28 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 2w9r h GLU 41 Cb 0.29 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2w9r h GLU 41 CO -0.25 0.30 -0.33 0.35 -1.16 0.00 0.00 179.01 177.92 2w9r h PHE 42 N 0.47 0.99 -0.47 4.33 3.57 -1.66 -1.65 116.94 122.53 2w9r h PHE 42 Ca 0.37 -0.27 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2w9r h PHE 42 Cb 0.77 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2w9r h PHE 42 CO -0.00 1.06 -0.05 0.28 -2.23 0.00 0.00 178.31 177.37 2w9r h VAL 43 N 0.70 1.25 -0.53 1.41 2.07 -1.13 0.18 116.25 120.20 2w9r h VAL 43 Ca 0.07 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2w9r h VAL 43 Cb 0.89 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2w9r h VAL 43 CO 0.08 0.38 0.24 0.40 0.02 0.00 0.00 177.57 178.69 2w9r h ILE 44 N 0.75 1.21 -0.45 4.57 2.04 -1.17 -2.01 117.51 122.44 2w9r h ILE 44 Ca 0.14 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2w9r h ILE 44 Cb 0.52 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2w9r h ILE 44 CO 0.03 0.24 0.25 -0.78 0.00 0.00 0.00 178.15 177.89 2w9r h ASP 45 N 0.71 0.40 -0.50 1.72 3.58 -0.82 -1.96 116.42 119.54 2w9r h ASP 45 Ca 0.18 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.67 2w9r h ASP 45 Cb 0.15 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2w9r h ASP 45 CO -0.02 0.28 0.29 0.58 -2.88 0.00 0.00 179.24 177.49 2w9r h VAL 46 N 0.51 1.03 -0.15 2.25 2.07 -0.70 -0.10 116.25 121.16 2w9r h VAL 46 Ca 0.19 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 2w9r h VAL 46 Cb 0.05 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2w9r h VAL 46 CO -0.10 0.10 -0.26 -0.07 0.02 0.00 0.00 177.57 177.26 2w9r h LEU 47 N 0.57 0.26 0.16 2.57 3.38 -1.09 -0.94 115.31 120.23 2w9r h LEU 47 Ca 0.21 -0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.80 2w9r h LEU 47 Cb 0.05 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 40.76 2w9r h LEU 47 CO -0.11 0.53 -1.25 1.56 0.09 0.00 0.00 178.44 179.26 2w9r h GLN 48 N 0.24 0.56 -0.11 1.13 4.20 -1.06 -2.55 115.11 117.52 2w9r h GLN 48 Ca 0.04 -0.82 -0.11 0.00 0.06 0.00 0.00 58.65 57.82 2w9r h GLN 48 Cb 0.59 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2w9r h GLN 48 CO 0.04 1.38 -0.34 -0.22 -0.67 0.00 0.00 178.83 179.02 2w9r h LYS 49 N 0.15 0.43 0.00 1.46 3.64 -0.88 -3.16 116.57 118.21 2w9r h LYS 49 Ca -0.20 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2w9r h LYS 49 Cb 1.95 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 2w9r h LYS 49 CO 0.24 0.93 -0.81 1.19 -2.27 0.00 0.00 179.45 178.73 2w9r n PHE 50 N -4.37 0.00 -0.40 1.91 3.72 -0.37 -4.59 117.46 113.35 2w9r n PHE 50 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2w9r n PHE 50 Cb 0.50 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2w9r n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2w9r n PHE 51 N -1.43 0.00 -1.89 1.38 3.01 -1.08 -5.03 117.46 112.42 2w9r n PHE 51 Ca 0.02 -0.10 -0.17 0.00 1.01 0.00 0.00 57.45 58.21 2w9r n PHE 51 Cb 0.24 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.66 2w9r n PHE 51 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2w9r n SER 52 N -0.10 -5.08 -4.77 4.37 7.64 -1.11 -4.95 113.62 109.62 2w9r n SER 52 Ca 0.00 0.22 -0.39 0.00 1.01 0.00 0.00 58.87 59.71 2w9r n SER 52 Cb 0.18 -4.13 -0.05 0.00 -1.01 0.00 0.00 64.21 59.20 2w9r n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2w9r s TYR 53 N -2.75 3.54 0.89 1.43 2.02 -0.98 -4.99 117.35 116.51 2w9r s TYR 53 Ca 0.00 1.72 -0.12 0.00 -0.37 0.00 0.00 57.07 58.30 2w9r s TYR 53 Cb 0.00 -3.17 0.13 0.00 -0.40 0.00 0.00 41.96 38.52 2w9r s TYR 53 CO 0.00 -0.39 1.11 0.16 -1.57 0.00 0.00 175.55 174.85 2w9r s ASP 54 N -1.19 3.59 0.29 2.29 -4.77 -1.26 -4.28 116.67 111.34 2w9r s ASP 54 Ca 0.49 1.20 -0.02 0.00 -3.30 0.00 0.00 52.55 50.92 2w9r s ASP 54 Cb -0.27 -1.86 0.44 0.00 -1.09 0.00 0.00 42.92 40.13 2w9r s ASP 54 CO 0.34 -2.53 1.94 0.58 0.70 0.00 0.00 175.17 176.21 2w9r h VAL 55 N -1.47 1.17 -0.00 2.11 2.07 -1.97 -0.45 116.25 117.71 2w9r h VAL 55 Ca -0.50 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2w9r h VAL 55 Cb 1.30 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2w9r h VAL 55 CO 0.59 0.21 0.00 -0.33 0.02 0.00 0.00 177.57 178.06 2w9r h GLU 56 N 1.14 0.00 -0.51 1.57 5.08 -2.00 -0.90 114.58 118.96 2w9r h GLU 56 Ca 0.34 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2w9r h GLU 56 Cb -0.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2w9r h GLU 56 CO -0.09 0.26 0.08 0.00 -1.00 0.00 0.00 179.01 178.25 2w9r h ARG 57 N -0.26 0.85 -1.00 2.33 2.47 -1.88 -2.67 114.38 114.23 2w9r h ARG 57 Ca 0.00 -0.23 0.04 0.00 -1.26 0.00 0.00 59.98 58.52 2w9r h ARG 57 Cb 0.26 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 2w9r h ARG 57 CO 0.00 0.85 0.65 0.00 0.56 0.00 0.00 179.97 182.03 2w9r h ALA 58 N 0.97 1.33 -0.32 0.04 0.00 -1.07 -1.98 119.26 118.23 2w9r h ALA 58 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2w9r h ALA 58 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2w9r h ALA 58 CO 0.01 0.55 0.16 1.15 0.00 0.00 0.00 179.25 181.12 2w9r h THR 59 N 1.27 1.15 -0.65 0.00 2.02 -0.89 -1.53 112.91 114.27 2w9r h THR 59 Ca 0.40 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 2w9r h THR 59 Cb -0.00 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2w9r h THR 59 CO -0.12 0.16 0.10 1.56 0.37 0.00 0.00 175.52 177.58 2w9r h GLN 60 N 0.38 1.07 -0.46 6.66 7.50 -1.25 -0.81 115.11 128.20 2w9r h GLN 60 Ca 0.11 -0.28 -0.10 0.00 0.50 0.00 0.00 58.65 58.87 2w9r h GLN 60 Cb 0.11 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.49 2w9r h GLN 60 CO -0.01 0.98 -0.13 1.25 -1.50 0.00 0.00 178.83 179.42 2w9r h LEU 61 N 1.00 0.85 -0.42 1.46 5.85 -1.30 -1.07 115.31 121.68 2w9r h LEU 61 Ca 0.20 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2w9r h LEU 61 Cb 0.44 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2w9r h LEU 61 CO 0.01 0.99 0.15 -0.03 -0.34 0.00 0.00 178.44 179.22 2w9r h MET 62 N 0.76 0.64 -0.92 1.25 4.05 -1.00 -0.17 114.93 119.54 2w9r h MET 62 Ca 0.12 -0.12 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2w9r h MET 62 Cb 0.64 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 2w9r h MET 62 CO 0.04 0.61 0.60 -0.07 0.23 0.00 0.00 176.91 178.32 2w9r h LEU 63 N 0.54 0.93 -0.24 3.39 4.07 -0.97 -1.41 115.31 121.63 2w9r h LEU 63 Ca 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2w9r h LEU 63 Cb 0.22 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2w9r h LEU 63 CO -0.01 0.60 0.13 0.00 -1.08 0.00 0.00 178.44 178.08 2w9r h ALA 64 N 1.50 0.30 -0.34 1.53 0.00 -0.62 0.36 119.26 121.99 2w9r h ALA 64 Ca 0.39 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.31 2w9r h ALA 64 Cb 0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2w9r h ALA 64 CO -0.14 -0.16 -0.19 0.28 0.00 0.00 0.00 179.25 179.03 2w9r h VAL 65 N 0.27 0.44 -0.07 0.00 2.07 -0.47 0.25 116.25 118.74 2w9r h VAL 65 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2w9r h VAL 65 Cb 0.08 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2w9r h VAL 65 CO -0.01 0.00 0.01 -0.74 0.02 0.00 0.00 177.57 176.85 2w9r h HIS 66 N -0.15 0.12 0.03 1.57 6.17 -1.00 -1.71 115.15 120.18 2w9r h HIS 66 Ca 0.17 -0.02 -0.29 0.00 0.71 0.00 0.00 60.37 60.95 2w9r h HIS 66 Cb 0.41 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.27 2w9r h HIS 66 CO -0.40 0.34 -1.60 1.88 0.71 0.00 0.00 177.93 178.86 2w9r h TYR 67 N -0.13 0.10 0.00 5.26 0.05 -0.87 -3.37 116.97 118.01 2w9r h TYR 67 Ca 0.02 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 2w9r h TYR 67 Cb 0.28 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2w9r h TYR 67 CO 0.02 1.12 -1.51 1.04 -1.05 0.00 0.00 178.16 177.78 2w9r n GLN 68 N -3.19 0.63 0.00 4.88 6.02 0.88 -4.99 117.38 121.61 2w9r n GLN 68 Ca -0.15 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2w9r n GLN 68 Cb 1.03 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.58 2w9r n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2w9r n GLY 69 N 1.32 2.19 3.52 1.08 0.00 -0.65 -5.01 105.19 107.64 2w9r n GLY 69 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2w9r n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w9r s LYS 70 N -0.21 1.02 0.00 1.61 -2.85 -1.20 -0.78 119.74 117.33 2w9r s LYS 70 Ca 0.00 -0.41 -0.11 0.00 -1.00 0.00 0.00 55.97 54.45 2w9r s LYS 70 Cb 0.00 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 2w9r s LYS 70 CO 0.00 -0.45 0.23 0.00 0.10 0.00 0.00 175.35 175.23 2w9r s ALA 71 N -3.33 -0.55 -0.15 0.59 0.00 -0.52 -4.13 121.76 113.67 2w9r s ALA 71 Ca 0.05 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 2w9r s ALA 71 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2w9r s ALA 71 CO -0.08 -0.26 0.83 0.42 0.00 0.00 0.00 175.76 176.67 2w9r s ILE 72 N -1.56 4.89 -0.11 0.00 1.01 -1.26 -1.39 121.20 122.78 2w9r s ILE 72 Ca -0.13 1.64 0.14 0.00 0.00 0.00 0.00 60.65 62.31 2w9r s ILE 72 Cb -0.05 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2w9r s ILE 72 CO 0.02 0.05 1.21 0.00 0.00 0.00 0.00 174.94 176.22 2w9r n GLY 74 N 1.30 -2.08 3.02 0.00 0.00 -1.24 -5.00 105.19 101.18 2w9r n GLY 74 Ca -0.02 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 2w9r n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w9r s VAL 75 N -2.39 1.11 0.11 1.61 1.01 -1.26 -1.58 120.40 119.00 2w9r s VAL 75 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2w9r s VAL 75 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2w9r s VAL 75 CO 0.00 0.35 0.05 -0.36 0.00 0.00 0.00 175.10 175.14 2w9r s PHE 76 N 0.68 0.72 0.78 5.22 0.40 -0.00 -4.92 117.98 120.85 2w9r s PHE 76 Ca -0.14 -1.14 -0.14 0.00 -0.60 0.00 0.00 56.93 54.91 2w9r s PHE 76 Cb -0.16 -0.42 0.07 0.00 0.51 0.00 0.00 43.02 43.02 2w9r s PHE 76 CO 0.04 -0.49 1.20 0.95 0.70 0.00 0.00 175.22 177.62 2w9r s THR 77 N -4.00 2.16 0.25 0.64 -4.23 -1.26 -0.29 115.64 108.91 2w9r s THR 77 Ca 0.18 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.72 2w9r s THR 77 Cb 0.07 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.66 2w9r s THR 77 CO -0.02 -0.05 1.65 0.00 -0.54 0.00 0.00 174.62 175.66 2w9r h ALA 78 N -0.73 0.94 -0.21 3.99 0.00 -1.92 0.64 119.26 121.98 2w9r h ALA 78 Ca -0.47 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2w9r h ALA 78 Cb 1.29 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2w9r h ALA 78 CO 0.47 -0.41 0.00 1.49 0.00 0.00 0.00 179.25 180.80 2w9r h GLU 79 N 0.17 0.37 -0.45 0.00 4.81 -1.92 -1.86 114.58 115.70 2w9r h GLU 79 Ca 0.45 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 2w9r h GLU 79 Cb 0.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2w9r h GLU 79 CO -0.62 0.56 -0.25 0.28 -0.73 0.00 0.00 179.01 178.26 2w9r h VAL 80 N 0.13 1.27 -0.66 0.32 2.07 -1.84 -2.88 116.25 114.67 2w9r h VAL 80 Ca 0.06 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.18 2w9r h VAL 80 Cb 0.39 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2w9r h VAL 80 CO 0.01 0.48 0.44 0.00 0.02 0.00 0.00 177.57 178.52 2w9r h ALA 81 N 0.89 0.84 -0.23 1.67 0.00 -0.71 -0.96 119.26 120.75 2w9r h ALA 81 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2w9r h ALA 81 Cb 0.82 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2w9r h ALA 81 CO 0.07 0.27 -0.08 0.93 0.00 0.00 0.00 179.25 180.44 2w9r h GLU 82 N 0.90 0.37 -0.43 0.00 5.08 -1.32 -1.85 114.58 117.33 2w9r h GLU 82 Ca 0.24 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2w9r h GLU 82 Cb -0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2w9r h GLU 82 CO -0.05 0.47 -0.15 1.15 -1.00 0.00 0.00 179.01 179.42 2w9r h THR 83 N 0.35 1.28 -0.48 1.13 2.02 -1.15 -1.78 112.91 114.27 2w9r h THR 83 Ca 0.07 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 65.91 2w9r h THR 83 Cb 0.37 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2w9r h THR 83 CO 0.02 0.43 0.07 0.11 0.37 0.00 0.00 175.52 176.52 2w9r h LYS 84 N 0.68 0.80 -0.07 6.66 1.79 -0.92 -2.03 116.57 123.48 2w9r h LYS 84 Ca 0.10 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2w9r h LYS 84 Cb 0.70 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2w9r h LYS 84 CO 0.05 0.81 0.03 0.28 -1.08 0.00 0.00 179.45 179.55 2w9r h VAL 85 N 0.67 1.12 -0.36 0.50 2.07 -1.31 -0.95 116.25 117.99 2w9r h VAL 85 Ca 0.14 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2w9r h VAL 85 Cb 0.41 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 2w9r h VAL 85 CO 0.01 0.10 -0.06 0.00 0.02 0.00 0.00 177.57 177.64 2w9r h ALA 86 N 0.90 0.27 -0.36 1.67 0.00 -1.24 -1.93 119.26 118.56 2w9r h ALA 86 Ca 0.02 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2w9r h ALA 86 Cb 0.13 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2w9r h ALA 86 CO -0.00 -0.44 0.02 0.52 0.00 0.00 0.00 179.25 179.35 2w9r h MET 87 N 0.03 0.62 -0.20 0.00 2.07 -1.08 -1.55 114.93 114.82 2w9r h MET 87 Ca 0.18 -0.19 -0.04 0.00 -2.07 0.00 0.00 59.70 57.58 2w9r h MET 87 Cb 0.26 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 2w9r h MET 87 CO -0.35 0.72 -0.03 0.28 1.07 0.00 0.00 176.91 178.60 2w9r h VAL 88 N 0.44 1.27 -0.93 -2.22 2.07 -1.08 -0.69 116.25 115.12 2w9r h VAL 88 Ca 0.10 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2w9r h VAL 88 Cb 0.42 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2w9r h VAL 88 CO 0.01 0.29 0.61 0.78 0.02 0.00 0.00 177.57 179.29 2w9r h ASN 89 N 0.10 1.04 0.10 0.57 2.35 -1.36 0.11 115.58 118.49 2w9r h ASN 89 Ca 0.05 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2w9r h ASN 89 Cb 0.45 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2w9r h ASN 89 CO 0.02 0.74 -0.05 0.50 -1.65 0.00 0.00 177.43 176.99 2w9r h LYS 90 N 1.23 -0.12 -0.73 0.81 1.63 -1.08 0.23 116.57 118.54 2w9r h LYS 90 Ca 0.35 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.25 2w9r h LYS 90 Cb -0.10 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.49 2w9r h LYS 90 CO -0.09 -0.02 0.37 -0.92 -3.45 0.00 0.00 179.45 175.34 2w9r h TYR 91 N -0.20 0.67 0.08 1.91 3.20 -0.90 -1.28 116.97 120.45 2w9r h TYR 91 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2w9r h TYR 91 Cb 0.16 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2w9r h TYR 91 CO -0.05 0.24 -0.04 0.00 -1.64 0.00 0.00 178.16 176.67 2w9r h ALA 92 N 1.44 -0.11 -0.84 1.82 0.00 -0.45 -2.92 119.26 118.20 2w9r h ALA 92 Ca 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2w9r h ALA 92 Cb 0.38 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2w9r h ALA 92 CO -0.27 -0.50 0.40 0.00 0.00 0.00 0.00 179.25 178.88 2w9r h ARG 93 N -0.23 1.22 0.00 0.00 2.47 -0.68 -1.81 114.38 115.34 2w9r h ARG 93 Ca -0.01 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.50 2w9r h ARG 93 Cb 0.19 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2w9r h ARG 93 CO 0.02 0.94 -0.15 1.05 0.56 0.00 0.00 179.97 182.39 2w9r h GLU 94 N 1.20 0.00 -0.37 0.04 4.11 -1.23 0.68 114.58 119.01 2w9r h GLU 94 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2w9r h GLU 94 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2w9r h GLU 94 CO -0.04 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.28 2w9r n ASN 95 N -3.57 2.28 -3.47 3.06 3.02 -0.92 -4.96 115.26 110.71 2w9r n ASN 95 Ca -0.01 -1.92 -0.24 0.00 -0.03 0.00 0.00 54.58 52.37 2w9r n ASN 95 Cb 0.28 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.27 2w9r n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2w9r n GLU 96 N 0.74 -6.60 -4.21 3.52 1.02 0.23 -5.03 120.64 110.31 2w9r n GLU 96 Ca 0.16 0.81 -0.31 0.00 -0.02 0.00 0.00 57.16 57.79 2w9r n GLU 96 Cb 0.38 -5.78 -0.09 0.00 -0.02 0.00 0.00 31.44 25.94 2w9r n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2w9r s HIS 97 N -3.26 2.98 -2.04 -0.32 3.76 -0.73 -5.02 115.29 110.67 2w9r s HIS 97 Ca 0.51 -0.01 0.31 0.00 -0.15 0.00 0.00 55.06 55.72 2w9r s HIS 97 Cb -0.23 -1.57 1.65 0.00 1.11 0.00 0.00 32.58 33.53 2w9r s HIS 97 CO 0.63 0.46 2.09 -0.35 -0.85 0.00 0.00 174.74 176.72 2w9r n PRO 98 N 0.89 1.07 -1.64 8.40 -0.04 -1.26 -3.87 135.00 138.56 2w9r n PRO 98 Ca -0.12 -0.22 -0.56 0.00 -0.04 0.00 0.00 63.50 62.55 2w9r n PRO 98 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2w9r n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2w9r n LEU 99 N -0.77 1.71 -4.38 1.53 7.94 -1.26 -4.92 117.00 116.85 2w9r n LEU 99 Ca 0.22 1.11 -0.35 0.00 -1.11 0.00 0.00 56.01 55.88 2w9r n LEU 99 Cb 0.18 -1.11 -0.13 0.00 0.53 0.00 0.00 43.42 42.89 2w9r n LEU 99 CO 0.19 -0.88 -0.35 -0.22 -1.11 0.00 0.00 177.39 175.02 2w9r s LEU 100 N 1.85 3.12 -0.15 -1.96 2.96 -1.26 -4.78 118.68 118.46 2w9r s LEU 100 Ca 0.92 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.49 2w9r s LEU 100 Cb -1.08 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 2w9r s LEU 100 CO 0.58 0.00 0.02 0.00 -1.32 0.00 0.00 176.35 175.64 2w9r n THR 102 N 3.16 0.00 -4.31 0.00 5.66 -0.11 -4.87 114.28 113.81 2w9r n THR 102 Ca -0.17 -1.09 -0.20 0.00 -3.05 0.00 0.00 64.05 59.54 2w9r n THR 102 Cb 0.53 0.58 -0.13 0.00 -1.55 0.00 0.00 70.33 69.75 2w9r n THR 102 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2w9r s LEU 103 N 0.00 2.21 -0.00 1.09 1.43 -1.26 -0.71 118.68 121.43 2w9r s LEU 103 Ca 0.18 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2w9r s LEU 103 Cb 0.01 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 2w9r s LEU 103 CO 0.13 0.01 0.06 -1.83 0.23 0.00 0.00 176.35 174.95 2w9r s GLU 104 N -1.34 0.31 0.18 1.70 -1.05 -0.81 -4.98 118.70 112.71 2w9r s GLU 104 Ca 0.01 -0.32 -0.33 0.00 -0.15 0.00 0.00 54.97 54.18 2w9r s GLU 104 Cb -0.09 0.12 -0.14 0.00 -0.44 0.00 0.00 34.13 33.59 2w9r s GLU 104 CO 0.02 -0.06 1.56 1.17 0.95 0.00 0.00 175.26 178.90 2w9r n LYS 105 N 1.98 2.19 0.03 -4.83 4.81 -1.26 -0.07 118.16 121.00 2w9r n LYS 105 Ca -0.20 0.79 -0.14 0.00 -0.87 0.00 0.00 58.31 57.89 2w9r n LYS 105 Cb 0.57 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.04 2w9r n LYS 105 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2w9r h ALA 106 N 5.69 0.43 0.00 3.14 0.00 -1.08 -3.44 119.26 124.00 2w9r h ALA 106 Ca -0.45 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2w9r h ALA 106 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2w9r h ALA 106 CO 0.87 0.74 0.00 0.41 0.00 0.00 0.00 179.25 181.27 2w9r n GLY 107 N 0.70 1.80 0.00 0.00 0.00 -1.26 -5.05 105.19 101.39 2w9r n GLY 107 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2w9r n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32