#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng n SER 27 N 0.00 -4.29 -4.27 1.61 7.64 -1.26 -4.98 113.62 108.07 2dng n SER 27 Ca 0.00 -0.70 -0.32 0.00 1.01 0.00 0.00 58.87 58.86 2dng n SER 27 Cb 0.00 -4.38 -0.16 0.00 -1.01 0.00 0.00 64.21 58.66 2dng n SER 27 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dng s SER 28 N -3.62 3.38 0.00 6.43 1.04 -1.26 -5.08 113.70 114.58 2dng s SER 28 Ca 0.45 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dng s SER 28 Cb -0.21 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2dng s SER 28 CO 0.79 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.79 2dng n GLY 29 N 3.44 2.87 3.66 7.32 0.00 -1.26 -5.05 105.19 116.17 2dng n GLY 29 Ca -0.19 -0.23 -0.50 0.00 0.00 0.00 0.00 46.02 45.11 2dng n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dng n SER 30 N 0.00 3.13 -4.61 1.61 2.88 -1.26 -4.85 113.62 110.52 2dng n SER 30 Ca 0.00 0.91 -0.43 0.00 -1.33 0.00 0.00 58.87 58.02 2dng n SER 30 Cb 0.00 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.11 2dng n SER 30 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dng s SER 31 N 4.45 5.95 0.00 -3.46 0.01 -1.26 -4.92 113.70 114.47 2dng s SER 31 Ca 0.96 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2dng s SER 31 Cb -0.77 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.94 2dng s SER 31 CO 0.54 -1.63 0.00 0.61 0.41 0.00 0.00 173.24 173.17 2dng n GLY 32 N 5.29 0.17 3.62 3.44 0.00 -1.26 -4.95 105.19 111.50 2dng n GLY 32 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2dng n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dng s LYS 33 N 1.61 3.78 0.14 1.61 -0.14 -1.26 -5.00 119.74 120.47 2dng s LYS 33 Ca 0.00 1.39 0.04 0.00 -1.36 0.00 0.00 55.97 56.03 2dng s LYS 33 Cb 0.00 -3.98 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 2dng s LYS 33 CO 0.00 -1.30 0.16 -1.21 -0.76 0.00 0.00 175.35 172.24 2dng s GLU 34 N 4.57 3.04 0.39 1.68 2.02 -1.26 -5.11 118.70 124.02 2dng s GLU 34 Ca 0.65 -0.76 -0.14 0.00 0.02 0.00 0.00 54.97 54.74 2dng s GLU 34 Cb -0.20 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.20 2dng s GLU 34 CO 0.28 0.51 0.80 -0.51 0.02 0.00 0.00 175.26 176.36 2dng s LEU 35 N -2.96 3.92 0.44 1.80 1.43 -1.26 -5.00 118.68 117.05 2dng s LEU 35 Ca 0.32 1.31 -0.24 0.00 -1.03 0.00 0.00 54.13 54.49 2dng s LEU 35 Cb -0.11 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.88 2dng s LEU 35 CO 0.24 -0.33 1.21 -2.16 0.23 0.00 0.00 176.35 175.53 2dng s PRO 36 N -3.43 3.81 -0.41 1.29 0.04 -1.26 -4.96 135.00 130.08 2dng s PRO 36 Ca 0.55 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.53 2dng s PRO 36 Cb -0.10 -2.52 0.52 0.00 0.04 0.00 0.00 34.50 32.44 2dng s PRO 36 CO 0.23 -0.54 1.64 -2.37 0.04 0.00 0.00 177.00 176.00 2dng n THR 37 N -0.30 2.93 -3.64 1.26 5.66 -1.26 -4.95 114.28 113.97 2dng n THR 37 Ca 0.06 -2.89 -0.05 0.00 -3.05 0.00 0.00 64.05 58.11 2dng n THR 37 Cb 0.47 -0.68 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 2dng n THR 37 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2dng s GLU 38 N -3.46 0.27 0.79 1.09 -1.05 -1.26 -5.18 118.70 109.90 2dng s GLU 38 Ca 0.53 0.33 -0.12 0.00 -0.15 0.00 0.00 54.97 55.56 2dng s GLU 38 Cb 0.45 0.12 0.07 0.00 -0.44 0.00 0.00 34.13 34.33 2dng s GLU 38 CO 0.02 -0.03 1.16 -1.25 0.95 0.00 0.00 175.26 176.11 2dng s PRO 39 N 0.23 2.15 1.24 -4.83 0.04 -1.26 -4.69 135.00 127.88 2dng s PRO 39 Ca 0.04 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.07 2dng s PRO 39 Cb -0.05 -1.96 0.31 0.00 0.04 0.00 0.00 34.50 32.84 2dng s PRO 39 CO -0.11 -1.48 1.10 -0.35 0.04 0.00 0.00 177.00 176.20 2dng n PRO 40 N -3.26 -3.18 -3.82 0.56 -0.04 -1.26 -5.12 135.00 118.89 2dng n PRO 40 Ca 0.08 -1.76 -0.37 0.00 -0.04 0.00 0.00 63.50 61.41 2dng n PRO 40 Cb 0.60 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 2dng n PRO 40 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dng s TYR 41 N -2.99 3.24 0.02 0.54 2.02 -1.24 -5.07 117.35 113.87 2dng s TYR 41 Ca 0.72 -1.55 0.03 0.00 -0.37 0.00 0.00 57.07 55.89 2dng s TYR 41 Cb -0.07 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2dng s TYR 41 CO 0.55 -0.74 -0.03 0.99 -1.57 0.00 0.00 175.55 174.75 2dng s THR 42 N 1.35 3.91 -0.02 -0.71 2.01 -1.26 -0.30 115.64 120.63 2dng s THR 42 Ca -0.03 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.22 2dng s THR 42 Cb -0.19 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2dng s THR 42 CO 0.01 0.33 -0.02 0.00 -0.69 0.00 0.00 174.62 174.25 2dng s ALA 43 N -1.10 0.30 -0.02 7.40 0.00 0.02 -4.39 121.76 123.96 2dng s ALA 43 Ca 0.20 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2dng s ALA 43 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2dng s ALA 43 CO 0.11 0.00 0.46 -0.47 0.00 0.00 0.00 175.76 175.86 2dng s TYR 44 N 0.46 3.67 -0.06 0.00 5.04 -0.38 -0.42 117.35 125.66 2dng s TYR 44 Ca -0.04 1.01 -0.01 0.00 -2.44 0.00 0.00 57.07 55.58 2dng s TYR 44 Cb -0.07 -2.41 0.03 0.00 0.35 0.00 0.00 41.96 39.85 2dng s TYR 44 CO -0.01 0.48 0.01 0.08 -1.34 0.00 0.00 175.55 174.77 2dng s VAL 45 N -0.53 0.27 0.27 3.14 1.01 -0.73 -2.04 120.40 121.78 2dng s VAL 45 Ca 0.25 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2dng s VAL 45 Cb -0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2dng s VAL 45 CO 0.13 0.24 0.07 0.61 0.00 0.00 0.00 175.10 176.15 2dng n GLY 46 N 5.06 3.61 2.40 4.51 0.00 0.75 -1.99 105.19 119.53 2dng n GLY 46 Ca -0.08 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 2dng n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dng n ASN 47 N -1.62 -3.60 -4.82 1.61 5.15 -1.22 -2.30 115.26 108.45 2dng n ASN 47 Ca -0.05 -0.26 -0.28 0.00 -0.60 0.00 0.00 54.58 53.39 2dng n ASN 47 Cb 0.38 -2.61 -0.05 0.00 -0.53 0.00 0.00 39.78 36.97 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dng s LEU 48 N -3.94 3.94 0.69 1.20 1.43 -1.25 -4.42 118.68 116.32 2dng s LEU 48 Ca 0.21 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 2dng s LEU 48 Cb -0.09 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 2dng s LEU 48 CO 0.34 0.11 0.15 -2.65 0.23 0.00 0.00 176.35 174.54 2dng n PRO 49 N -0.02 0.18 -0.21 1.29 -0.02 -1.26 -4.86 135.00 130.10 2dng n PRO 49 Ca -0.08 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.48 2dng n PRO 49 Cb 0.53 -1.47 0.10 0.00 -0.02 0.00 0.00 33.50 32.65 2dng n PRO 49 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2dng h PHE 50 N -0.32 0.49 -3.04 6.00 0.04 -1.98 -3.15 116.94 114.98 2dng h PHE 50 Ca -0.44 0.03 -0.76 0.00 2.80 0.00 0.00 57.97 59.60 2dng h PHE 50 Cb 1.37 -0.13 -0.31 0.00 2.20 0.00 0.00 35.95 39.08 2dng h PHE 50 CO 0.29 0.17 0.35 0.09 -0.60 0.00 0.00 178.31 178.61 2dng n ASN 51 N -4.93 5.42 -4.60 2.17 3.02 -1.26 -4.64 115.26 110.45 2dng n ASN 51 Ca 0.09 -3.28 -0.34 0.00 -0.03 0.00 0.00 54.58 51.01 2dng n ASN 51 Cb 0.24 -1.17 -0.10 0.00 -0.61 0.00 0.00 39.78 38.14 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dng s THR 52 N -2.14 4.27 0.38 3.41 2.01 -1.19 -5.10 115.64 117.27 2dng s THR 52 Ca 0.32 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.16 2dng s THR 52 Cb 0.01 -2.86 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 2dng s THR 52 CO 0.00 0.53 -0.02 0.68 -0.69 0.00 0.00 174.62 175.12 2dng s VAL 53 N -0.12 2.17 0.22 3.82 -7.23 -1.26 -4.93 120.40 113.07 2dng s VAL 53 Ca 0.04 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 2dng s VAL 53 Cb -0.13 -2.84 0.25 0.00 0.56 0.00 0.00 36.38 34.23 2dng s VAL 53 CO 0.02 -0.10 1.62 -0.61 -0.31 0.00 0.00 175.10 175.72 2dng h GLN 54 N 1.86 -0.00 -0.54 4.82 4.15 -1.99 -1.82 115.11 121.58 2dng h GLN 54 Ca -0.43 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.06 2dng h GLN 54 Cb 1.25 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.84 2dng h GLN 54 CO 0.75 -0.00 -0.51 0.78 -1.93 0.00 0.00 178.83 177.92 2dng h GLY 55 N -0.00 -0.76 -0.83 2.39 0.00 -1.98 0.05 103.07 101.93 2dng h GLY 55 Ca 0.32 0.66 0.09 0.00 0.00 0.00 0.00 47.33 48.40 2dng h GLY 55 CO -0.68 -0.12 -0.54 -1.80 0.00 0.00 0.00 176.54 173.40 2dng h ASP 56 N -0.28 -1.95 -0.04 0.19 1.82 -1.74 -0.02 116.42 114.40 2dng h ASP 56 Ca 0.13 0.30 0.03 0.00 -0.39 0.00 0.00 57.03 57.10 2dng h ASP 56 Cb 0.56 0.87 -0.04 0.00 0.68 0.00 0.00 39.33 41.41 2dng h ASP 56 CO -0.67 -0.28 -0.16 0.40 -1.61 0.00 0.00 179.24 176.91 2dng h ILE 57 N -0.10 0.60 -1.16 2.25 1.08 -1.28 -1.07 117.51 117.83 2dng h ILE 57 Ca 0.17 0.00 0.33 0.00 -0.39 0.00 0.00 64.86 64.97 2dng h ILE 57 Cb 0.49 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.75 2dng h ILE 57 CO -0.85 0.00 0.78 -0.78 -0.69 0.00 0.00 178.15 176.61 2dng h ASP 58 N -0.24 0.25 0.01 1.72 3.58 0.74 0.25 116.42 122.73 2dng h ASP 58 Ca 0.07 0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.39 2dng h ASP 58 Cb 0.33 0.03 0.02 0.00 1.72 0.00 0.00 39.33 41.42 2dng h ASP 58 CO -0.18 0.01 -0.74 0.00 -2.88 0.00 0.00 179.24 175.45 2dng h ALA 59 N 1.53 0.08 -0.46 -0.78 0.00 0.10 0.09 119.26 119.82 2dng h ALA 59 Ca 0.63 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dng h ALA 59 Cb 1.99 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2dng h ALA 59 CO -0.21 0.45 0.27 0.82 0.00 0.00 0.00 179.25 180.58 2dng h ILE 60 N 0.03 1.05 -0.65 0.00 2.04 0.37 -2.73 117.51 117.61 2dng h ILE 60 Ca -0.09 -0.19 -0.40 0.00 1.00 0.00 0.00 64.86 65.18 2dng h ILE 60 Cb 1.44 0.45 -0.23 0.00 -0.74 0.00 0.00 36.82 37.74 2dng h ILE 60 CO 0.15 0.10 0.10 0.49 0.00 0.00 0.00 178.15 178.99 2dng n PHE 61 N -4.83 2.12 0.08 1.37 3.72 -0.30 -4.72 117.46 114.90 2dng n PHE 61 Ca 0.02 -2.03 -0.12 0.00 -0.05 0.00 0.00 57.45 55.27 2dng n PHE 61 Cb 0.06 -0.73 -0.06 0.00 -0.94 0.00 0.00 39.48 37.81 2dng n PHE 61 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2dng h LYS 62 N 1.39 -0.17 -1.01 -1.08 2.10 -0.64 -2.27 116.57 114.89 2dng h LYS 62 Ca 0.39 0.01 0.23 0.00 -2.00 0.00 0.00 60.65 59.29 2dng h LYS 62 Cb 1.69 0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 32.96 2dng h LYS 62 CO 0.81 -0.12 0.62 -0.44 -2.00 0.00 0.00 179.45 178.33 2dng h ASP 63 N -0.18 0.62 -4.10 7.07 3.32 -1.84 -3.42 116.42 117.89 2dng h ASP 63 Ca 0.01 0.10 -0.45 0.00 0.02 0.00 0.00 57.03 56.71 2dng h ASP 63 Cb 0.18 -0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.88 2dng h ASP 63 CO -0.04 0.16 0.30 -0.76 -1.72 0.00 0.00 179.24 177.18 2dng s LEU 64 N -10.03 1.96 -0.97 1.55 1.43 -0.86 -4.99 118.68 106.78 2dng s LEU 64 Ca -0.10 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 2dng s LEU 64 Cb 0.25 -2.94 0.25 0.00 0.03 0.00 0.00 46.19 43.78 2dng s LEU 64 CO 0.80 -2.81 0.93 -0.44 0.23 0.00 0.00 176.35 175.06 2dng s SER 65 N -4.21 7.02 -0.52 2.29 0.01 -1.26 -5.01 113.70 112.02 2dng s SER 65 Ca 0.67 -3.15 -0.28 0.00 1.31 0.00 0.00 55.95 54.50 2dng s SER 65 Cb -0.12 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 63.91 2dng s SER 65 CO 0.53 -0.43 1.62 -0.63 0.41 0.00 0.00 173.24 174.75 2dng s ILE 66 N -0.56 3.60 0.07 1.44 1.01 -1.26 -3.01 121.20 122.50 2dng s ILE 66 Ca 0.24 0.51 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 2dng s ILE 66 Cb -0.10 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 2dng s ILE 66 CO -0.09 -0.91 1.40 -0.09 0.00 0.00 0.00 174.94 175.25 2dng h ARG 67 N 12.55 0.52 -1.52 2.79 1.12 -1.64 -3.47 114.38 124.72 2dng h ARG 67 Ca -0.28 -0.26 0.09 0.00 -1.11 0.00 0.00 59.98 58.42 2dng h ARG 67 Cb 1.13 0.00 -0.25 0.00 -0.01 0.00 0.00 29.97 30.84 2dng h ARG 67 CO 1.15 0.83 0.55 -1.12 -3.11 0.00 0.00 179.97 178.27 2dng s SER 68 N -6.28 -0.37 -0.09 -3.80 0.01 -1.24 -5.02 113.70 96.92 2dng s SER 68 Ca -0.13 0.56 0.04 0.00 1.31 0.00 0.00 55.95 57.72 2dng s SER 68 Cb 0.07 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2dng s SER 68 CO 0.78 -0.23 -0.22 -0.69 0.41 0.00 0.00 173.24 173.30 2dng s VAL 69 N -0.49 2.31 -0.32 3.43 1.01 -1.26 0.16 120.40 125.24 2dng s VAL 69 Ca 0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2dng s VAL 69 Cb -0.03 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.53 2dng s VAL 69 CO -0.03 0.56 0.03 -0.13 0.00 0.00 0.00 175.10 175.53 2dng s ARG 70 N 0.13 2.24 -0.41 2.72 0.52 0.00 -5.02 118.95 119.13 2dng s ARG 70 Ca -0.11 -1.44 -0.17 0.00 -0.52 0.00 0.00 55.73 53.49 2dng s ARG 70 Cb -0.16 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.09 2dng s ARG 70 CO 0.06 -0.73 0.44 -0.51 0.02 0.00 0.00 175.30 174.58 2dng s LEU 71 N 1.18 4.80 0.40 2.53 1.43 -1.26 -1.55 118.68 126.20 2dng s LEU 71 Ca -0.01 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 2dng s LEU 71 Cb -0.20 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 2dng s LEU 71 CO -0.03 -0.56 1.15 -0.69 0.23 0.00 0.00 176.35 176.45 2dng s VAL 72 N 2.16 3.24 -0.01 -1.59 1.01 -1.26 -5.05 120.40 118.90 2dng s VAL 72 Ca 0.13 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 63.09 2dng s VAL 72 Cb -0.17 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 2dng s VAL 72 CO 0.14 0.08 0.08 -0.13 0.00 0.00 0.00 175.10 175.27 2dng s ARG 73 N -2.31 0.28 1.15 2.72 0.52 -1.26 -3.75 118.95 116.30 2dng s ARG 73 Ca 0.57 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 55.39 2dng s ARG 73 Cb -0.29 0.12 0.19 0.00 0.52 0.00 0.00 34.95 35.48 2dng s ARG 73 CO 0.37 -0.06 0.34 -3.47 0.02 0.00 0.00 175.30 172.50 2dng n ASP 74 N 2.16 -2.82 -0.67 0.23 2.03 -1.21 -4.86 116.55 111.42 2dng n ASP 74 Ca -0.19 -0.34 0.09 0.00 0.52 0.00 0.00 54.79 54.87 2dng n ASP 74 Cb 0.57 -0.93 0.07 0.00 -0.72 0.00 0.00 41.12 40.11 2dng n ASP 74 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dng n LYS 75 N -2.87 1.42 -0.02 -0.67 5.02 -1.26 -3.64 118.16 116.14 2dng n LYS 75 Ca 0.04 -1.48 -0.03 0.00 -2.02 0.00 0.00 58.31 54.83 2dng n LYS 75 Cb 0.53 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 34.20 2dng n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dng n ASP 76 N 0.89 0.94 0.07 4.39 9.92 -1.26 -4.78 116.55 126.72 2dng n ASP 76 Ca 0.10 0.15 0.01 0.00 -0.53 0.00 0.00 54.79 54.52 2dng n ASP 76 Cb 0.43 -0.45 -0.04 0.00 -0.64 0.00 0.00 41.12 40.41 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2dng h THR 77 N -0.33 0.59 -5.40 -3.53 1.35 -1.98 -3.48 112.91 100.12 2dng h THR 77 Ca 0.00 -2.01 -0.35 0.00 -0.55 0.00 0.00 66.41 63.50 2dng h THR 77 Cb 0.33 2.13 0.14 0.00 -1.73 0.00 0.00 68.15 69.02 2dng h THR 77 CO 0.00 0.34 -0.65 -0.67 -0.25 0.00 0.00 175.52 174.29 2dng n ASP 78 N -2.99 -4.84 -4.74 5.36 2.03 -1.24 -4.98 116.55 105.15 2dng n ASP 78 Ca -0.05 -0.52 -0.24 0.00 0.52 0.00 0.00 54.79 54.50 2dng n ASP 78 Cb 0.79 -4.67 -0.07 0.00 -0.72 0.00 0.00 41.12 36.45 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dng s LYS 79 N -5.92 2.27 -0.12 -0.67 -0.14 -1.26 -4.78 119.74 109.12 2dng s LYS 79 Ca 0.38 -1.76 -0.29 0.00 -1.36 0.00 0.00 55.97 52.94 2dng s LYS 79 Cb -0.17 -2.05 -0.06 0.00 -1.68 0.00 0.00 37.83 33.88 2dng s LYS 79 CO 0.67 -0.06 2.00 0.12 -0.76 0.00 0.00 175.35 177.32 2dng s PHE 80 N -2.55 1.40 0.35 3.18 5.36 -1.26 -3.28 117.98 121.17 2dng s PHE 80 Ca 0.41 0.16 0.09 0.00 -0.96 0.00 0.00 56.93 56.62 2dng s PHE 80 Cb 0.02 -4.06 0.64 0.00 -0.34 0.00 0.00 43.02 39.28 2dng s PHE 80 CO 0.23 -4.42 1.82 0.87 -1.46 0.00 0.00 175.22 172.26 2dng h LYS 81 N 12.51 0.20 0.00 10.12 1.79 -1.91 -3.47 116.57 135.82 2dng h LYS 81 Ca -0.43 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2dng h LYS 81 Cb 1.22 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2dng h LYS 81 CO 0.96 0.47 0.00 0.41 -1.08 0.00 0.00 179.45 180.21 2dng n GLY 82 N -0.54 1.24 3.58 3.86 0.00 -1.26 -5.11 105.19 106.96 2dng n GLY 82 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2dng n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dng s PHE 83 N -1.69 -0.74 0.22 1.61 -0.71 -1.26 -3.42 117.98 111.98 2dng s PHE 83 Ca 0.00 1.71 -0.07 0.00 -1.04 0.00 0.00 56.93 57.53 2dng s PHE 83 Cb 0.00 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 2dng s PHE 83 CO 0.00 -0.41 0.30 0.00 -1.34 0.00 0.00 175.22 173.76 2dng s TYR 85 N -4.08 2.66 -0.11 0.00 1.51 -0.60 -1.78 117.35 114.95 2dng s TYR 85 Ca 0.30 -0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2dng s TYR 85 Cb 0.03 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 2dng s TYR 85 CO 0.10 -0.07 -0.09 0.08 -1.11 0.00 0.00 175.55 174.45 2dng s VAL 86 N -0.20 3.41 -0.07 0.71 1.01 0.44 -0.82 120.40 124.89 2dng s VAL 86 Ca -0.01 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2dng s VAL 86 Cb -0.13 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2dng s VAL 86 CO 0.03 0.54 0.30 -0.70 0.00 0.00 0.00 175.10 175.28 2dng s GLU 87 N -0.02 3.82 -0.02 2.72 2.56 0.12 -0.80 118.70 127.08 2dng s GLU 87 Ca -0.02 0.19 0.08 0.00 0.00 0.00 0.00 54.97 55.22 2dng s GLU 87 Cb -0.14 -3.25 -0.02 0.00 2.00 0.00 0.00 34.13 32.73 2dng s GLU 87 CO 0.03 0.64 -0.26 -0.06 -0.56 0.00 0.00 175.26 175.05 2dng s PHE 88 N -0.79 2.33 0.01 5.30 0.08 0.59 -1.65 117.98 123.84 2dng s PHE 88 Ca 0.20 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 2dng s PHE 88 Cb -0.15 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 2dng s PHE 88 CO 0.09 -0.04 1.07 0.22 -0.10 0.00 0.00 175.22 176.47 2dng h ASP 89 N 5.47 -0.16 -1.21 1.36 1.82 -1.82 -3.27 116.42 118.60 2dng h ASP 89 Ca -0.43 0.01 -0.54 0.00 -0.39 0.00 0.00 57.03 55.68 2dng h ASP 89 Cb 1.12 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 41.13 2dng h ASP 89 CO 0.47 -0.10 -0.38 -1.61 -1.61 0.00 0.00 179.24 176.01 2dng s GLU 90 N -3.38 2.36 0.30 0.28 2.02 -1.26 -4.55 118.70 114.47 2dng s GLU 90 Ca -0.03 -1.77 0.04 0.00 0.02 0.00 0.00 54.97 53.24 2dng s GLU 90 Cb 0.00 -2.19 0.47 0.00 0.10 0.00 0.00 34.13 32.52 2dng s GLU 90 CO 0.08 -0.32 1.74 -0.24 0.02 0.00 0.00 175.26 176.54 2dng h VAL 91 N 1.02 1.26 -0.35 2.63 3.04 -1.98 -3.22 116.25 118.66 2dng h VAL 91 Ca -0.40 -1.27 0.04 0.00 -1.01 0.00 0.00 66.70 64.07 2dng h VAL 91 Cb 1.28 1.42 -0.08 0.00 -2.01 0.00 0.00 31.29 31.89 2dng h VAL 91 CO 0.60 0.39 -0.55 0.44 -1.01 0.00 0.00 177.57 177.45 2dng h ASP 92 N 0.34 -1.81 0.35 3.17 3.32 -1.99 0.11 116.42 119.92 2dng h ASP 92 Ca 0.05 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2dng h ASP 92 Cb 0.66 0.73 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 2dng h ASP 92 CO 0.05 -0.41 -0.46 0.28 -1.72 0.00 0.00 179.24 176.97 2dng h SER 93 N -0.43 -1.31 -0.87 6.45 0.02 -1.97 -0.58 113.55 114.86 2dng h SER 93 Ca 0.06 0.12 0.19 0.00 -0.84 0.00 0.00 61.79 61.32 2dng h SER 93 Cb 0.60 0.45 -0.16 0.00 0.14 0.00 0.00 62.40 63.43 2dng h SER 93 CO -0.55 -0.57 -0.14 0.25 -1.14 0.00 0.00 176.83 174.67 2dng h LEU 94 N -0.84 -0.67 0.13 5.07 5.85 -1.50 0.13 115.31 123.48 2dng h LEU 94 Ca -0.04 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2dng h LEU 94 Cb 0.76 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2dng h LEU 94 CO -0.12 -0.28 -0.09 0.50 -0.34 0.00 0.00 178.44 178.11 2dng h LYS 95 N 0.02 -0.22 -0.20 1.25 3.64 -0.31 0.43 116.57 121.17 2dng h LYS 95 Ca 0.45 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.90 2dng h LYS 95 Cb 0.75 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2dng h LYS 95 CO -0.86 -0.15 0.32 1.49 -2.27 0.00 0.00 179.45 177.98 2dng h GLU 96 N -0.23 0.00 0.00 1.90 4.57 0.81 0.19 114.58 121.82 2dng h GLU 96 Ca -0.01 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 2dng h GLU 96 Cb 0.20 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2dng h GLU 96 CO -0.00 0.00 -1.58 0.00 -1.18 0.00 0.00 179.01 176.25 2dng h ALA 97 N 1.55 0.72 0.00 2.92 0.00 -0.09 -3.32 119.26 121.05 2dng h ALA 97 Ca 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2dng h ALA 97 Cb 0.73 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2dng h ALA 97 CO -0.00 1.35 0.00 1.28 0.00 0.00 0.00 179.25 181.88 2dng n LEU 98 N -3.01 0.00 0.09 0.00 4.77 0.65 -1.39 117.00 118.11 2dng n LEU 98 Ca -0.14 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 2dng n LEU 98 Cb 0.98 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.81 2dng n LEU 98 CO 0.44 -0.30 0.44 0.71 -1.33 0.00 0.00 177.39 177.35 2dng h THR 99 N 0.00 0.00 0.00 -5.08 1.35 -1.63 -3.28 112.91 104.27 2dng h THR 99 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2dng h THR 99 Cb 0.14 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2dng h THR 99 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 2dng n TYR 100 N -2.30 0.60 -1.55 4.73 4.02 -0.49 -4.59 117.16 117.57 2dng n TYR 100 Ca 0.03 0.25 -0.15 0.00 -0.01 0.00 0.00 57.90 58.03 2dng n TYR 100 Cb 0.46 -0.91 -0.08 0.00 -0.02 0.00 0.00 39.34 38.79 2dng n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2dng n ASP 101 N -2.06 1.58 0.00 7.72 5.75 -1.24 -0.47 116.55 127.83 2dng n ASP 101 Ca 0.02 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 2dng n ASP 101 Cb 0.17 -1.57 0.00 0.00 -1.03 0.00 0.00 41.12 38.69 2dng n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dng n GLY 102 N 6.68 0.38 3.91 6.12 0.00 -1.26 -5.03 105.19 115.99 2dng n GLY 102 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 2dng n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dng s ALA 103 N -0.51 3.34 -0.13 4.61 0.00 0.38 -4.95 121.76 124.50 2dng s ALA 103 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 2dng s ALA 103 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 2dng s ALA 103 CO 0.00 -0.59 -0.07 -0.51 0.00 0.00 0.00 175.76 174.59 2dng s LEU 104 N -4.89 3.09 -0.48 0.00 1.43 -1.26 -2.18 118.68 114.39 2dng s LEU 104 Ca 0.51 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2dng s LEU 104 Cb -0.10 -1.72 0.12 0.00 0.03 0.00 0.00 46.19 44.52 2dng s LEU 104 CO 0.46 0.21 0.36 -0.22 0.23 0.00 0.00 176.35 177.38 2dng s LEU 105 N 0.12 5.74 0.00 1.79 2.96 0.23 -4.94 118.68 124.57 2dng s LEU 105 Ca -0.03 -1.93 0.00 0.00 -0.22 0.00 0.00 54.13 51.95 2dng s LEU 105 Cb -0.14 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2dng s LEU 105 CO 0.03 -0.70 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 2dng n GLY 106 N 4.89 2.65 2.05 7.98 0.00 -1.26 -0.81 105.19 120.69 2dng n GLY 106 Ca -0.08 0.31 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 2dng n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dng n ASP 107 N 10.39 4.82 -3.09 1.61 8.00 -1.26 -4.95 116.55 132.07 2dng n ASP 107 Ca 0.00 -3.24 -0.15 0.00 0.71 0.00 0.00 54.79 52.11 2dng n ASP 107 Cb 0.00 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 2dng n ASP 107 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dng s ARG 108 N -3.00 2.01 0.53 -1.24 0.52 0.01 -5.15 118.95 112.64 2dng s ARG 108 Ca 0.56 -1.78 0.06 0.00 -0.52 0.00 0.00 55.73 54.04 2dng s ARG 108 Cb 0.44 0.47 0.06 0.00 0.52 0.00 0.00 34.95 36.44 2dng s ARG 108 CO 0.14 -0.85 0.46 0.43 0.02 0.00 0.00 175.30 175.49 2dng n SER 109 N -1.56 2.58 -4.27 0.23 7.64 -1.26 0.74 113.62 117.73 2dng n SER 109 Ca 0.00 -2.77 -0.27 0.00 1.01 0.00 0.00 58.87 56.85 2dng n SER 109 Cb 0.61 -0.10 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 2dng n SER 109 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dng s LEU 110 N 0.00 2.15 -0.30 -3.43 1.43 -0.93 -4.42 118.68 113.18 2dng s LEU 110 Ca 0.35 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2dng s LEU 110 Cb -0.03 -1.05 0.10 0.00 0.03 0.00 0.00 46.19 45.24 2dng s LEU 110 CO 0.22 0.19 0.10 -0.60 0.23 0.00 0.00 176.35 176.49 2dng s ARG 111 N -1.12 0.65 -0.10 1.70 6.06 -0.97 -4.23 118.95 120.94 2dng s ARG 111 Ca 0.08 -0.97 0.03 0.00 -2.50 0.00 0.00 55.73 52.37 2dng s ARG 111 Cb -0.09 -1.90 -0.01 0.00 0.06 0.00 0.00 34.95 33.01 2dng s ARG 111 CO 0.02 -0.97 -0.20 0.08 -2.50 0.00 0.00 175.30 171.73 2dng s VAL 112 N 1.68 2.48 0.05 7.11 1.01 -1.26 -0.18 120.40 131.29 2dng s VAL 112 Ca 0.09 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 2dng s VAL 112 Cb -0.17 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2dng s VAL 112 CO -0.26 0.55 0.56 1.51 0.00 0.00 0.00 175.10 177.46 2dng s ASP 113 N 0.23 -0.49 -0.22 3.32 1.47 -0.86 -4.72 116.67 115.40 2dng s ASP 113 Ca -0.13 0.23 -0.29 0.00 1.18 0.00 0.00 52.55 53.54 2dng s ASP 113 Cb -0.16 0.52 -0.02 0.00 -0.34 0.00 0.00 42.92 42.91 2dng s ASP 113 CO 0.07 -0.74 1.46 -0.63 0.68 0.00 0.00 175.17 176.01 2dng s ILE 114 N -2.46 3.93 -0.85 2.11 1.01 -1.26 -1.24 121.20 122.43 2dng s ILE 114 Ca -0.05 1.07 -0.26 0.00 0.00 0.00 0.00 60.65 61.41 2dng s ILE 114 Cb -0.01 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.46 2dng s ILE 114 CO -0.02 -0.29 2.31 0.00 0.00 0.00 0.00 174.94 176.94 2dng s ALA 115 N 4.51 0.79 -0.69 9.38 0.00 -1.26 -4.87 121.76 129.63 2dng s ALA 115 Ca 0.64 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 2dng s ALA 115 Cb -0.23 -4.59 -0.00 0.00 0.00 0.00 0.00 23.12 18.30 2dng s ALA 115 CO 0.25 -5.92 1.65 -2.00 0.00 0.00 0.00 175.76 169.74 2dng s GLU 116 N 8.57 2.85 0.00 0.00 2.56 -1.26 -4.92 118.70 126.50 2dng s GLU 116 Ca 0.88 0.20 0.00 0.00 0.00 0.00 0.00 54.97 56.05 2dng s GLU 116 Cb -0.11 -4.40 0.00 0.00 2.00 0.00 0.00 34.13 31.62 2dng s GLU 116 CO 0.08 -2.56 0.00 0.41 -0.56 0.00 0.00 175.26 172.63 2dng n GLY 117 N 5.71 4.39 3.01 -1.50 0.00 -1.26 -5.15 105.19 110.38 2dng n GLY 117 Ca 0.16 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 2dng n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dng s ARG 118 N 3.07 0.81 -0.22 1.61 0.52 -1.26 -5.11 118.95 118.37 2dng s ARG 118 Ca 0.00 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 2dng s ARG 118 Cb 0.00 -0.77 -0.02 0.00 0.52 0.00 0.00 34.95 34.68 2dng s ARG 118 CO 0.00 0.15 1.44 0.21 0.02 0.00 0.00 175.30 177.12 2dng s LYS 119 N -0.02 3.97 -0.26 3.54 2.36 -1.26 -4.97 119.74 123.09 2dng s LYS 119 Ca 0.01 1.57 -0.01 0.00 -2.55 0.00 0.00 55.97 54.98 2dng s LYS 119 Cb -0.06 -3.92 0.14 0.00 -1.05 0.00 0.00 37.83 32.95 2dng s LYS 119 CO -0.00 -1.07 0.40 -1.14 1.55 0.00 0.00 175.35 175.09 2dng s GLN 120 N 4.19 0.38 -0.30 4.03 0.74 -1.26 -5.12 119.66 122.32 2dng s GLN 120 Ca 0.63 0.46 -0.13 0.00 0.05 0.00 0.00 55.36 56.36 2dng s GLN 120 Cb -0.22 -0.37 0.17 0.00 1.10 0.00 0.00 33.01 33.68 2dng s GLN 120 CO 0.24 -0.74 0.94 0.34 -0.55 0.00 0.00 175.29 175.51 2dng s ASP 121 N 2.56 -0.68 1.19 6.67 -1.08 -1.26 -5.17 116.67 118.91 2dng s ASP 121 Ca 0.12 0.80 -0.13 0.00 -0.52 0.00 0.00 52.55 52.83 2dng s ASP 121 Cb -0.15 1.72 0.29 0.00 -1.46 0.00 0.00 42.92 43.33 2dng s ASP 121 CO -0.20 -0.13 0.98 2.29 0.52 0.00 0.00 175.17 178.63 2dng n LYS 122 N 5.13 -2.55 -2.46 4.34 2.85 -1.26 -4.93 118.16 119.28 2dng n LYS 122 Ca -0.08 -0.71 -0.42 0.00 -1.05 0.00 0.00 58.31 56.04 2dng n LYS 122 Cb 0.52 -2.15 -0.03 0.00 -0.65 0.00 0.00 35.03 32.72 2dng n LYS 122 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2dng s SER 123 N -2.37 7.14 0.48 -5.58 1.04 -1.26 -4.98 113.70 108.17 2dng s SER 123 Ca 0.68 2.01 -0.22 0.00 0.48 0.00 0.00 55.95 58.91 2dng s SER 123 Cb -0.25 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.19 2dng s SER 123 CO 0.66 -0.40 0.81 0.61 0.98 0.00 0.00 173.24 175.90 2dng n GLY 124 N 2.89 -0.75 3.82 7.32 0.00 -1.26 -4.95 105.19 112.26 2dng n GLY 124 Ca 0.07 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2dng n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dng s PRO 125 N -2.05 3.96 -0.36 1.61 0.04 -1.26 -5.02 135.00 131.92 2dng s PRO 125 Ca 0.66 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.65 2dng s PRO 125 Cb -0.53 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2dng s PRO 125 CO 0.55 -0.27 0.68 0.45 0.04 0.00 0.00 177.00 178.45 2dng s SER 126 N -2.36 6.46 -0.15 6.66 0.15 -1.26 -4.94 113.70 118.26 2dng s SER 126 Ca 0.63 0.18 -0.23 0.00 0.70 0.00 0.00 55.95 57.23 2dng s SER 126 Cb -0.12 -2.35 -0.20 0.00 -1.71 0.00 0.00 66.02 61.64 2dng s SER 126 CO 0.21 -0.65 0.51 0.28 1.20 0.00 0.00 173.24 174.79 2dng h SER 127 N 8.50 0.00 -0.00 5.45 0.02 -2.05 -3.57 113.55 121.89 2dng h SER 127 Ca -0.26 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 2dng h SER 127 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dng h SER 127 CO 0.86 1.02 0.00 0.61 -1.14 0.00 0.00 176.83 178.19