#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng s SER 27 N 0.00 6.81 0.02 1.61 0.15 -1.26 -5.08 113.70 115.96 2dng s SER 27 Ca 0.00 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.53 2dng s SER 27 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2dng s SER 27 CO 0.00 0.20 0.16 -0.44 1.20 0.00 0.00 173.24 174.36 2dng s SER 28 N -0.46 0.05 -0.07 5.45 0.01 -1.26 -5.17 113.70 112.25 2dng s SER 28 Ca 0.25 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 2dng s SER 28 Cb -0.17 0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.43 2dng s SER 28 CO 0.13 -0.48 0.96 -0.83 0.41 0.00 0.00 173.24 173.43 2dng s GLY 29 N -1.84 -0.39 -0.02 3.44 0.00 -1.26 -5.08 107.32 102.18 2dng s GLY 29 Ca -0.09 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.00 2dng s GLY 29 CO -0.02 0.56 -0.02 1.44 0.00 0.00 0.00 173.10 175.06 2dng n SER 30 N 0.06 0.63 -4.58 1.64 7.64 -1.26 -4.97 113.62 112.79 2dng n SER 30 Ca -0.08 0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.41 2dng n SER 30 Cb 0.60 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2dng n SER 30 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dng s SER 31 N -5.05 5.62 0.07 6.43 0.15 -1.26 -4.94 113.70 114.71 2dng s SER 31 Ca -0.03 0.95 -0.07 0.00 0.70 0.00 0.00 55.95 57.51 2dng s SER 31 Cb 0.01 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2dng s SER 31 CO 0.04 -1.99 0.14 -0.83 1.20 0.00 0.00 173.24 171.80 2dng s GLY 32 N 7.02 0.16 -0.21 9.45 0.00 -1.26 -5.12 107.32 117.36 2dng s GLY 32 Ca 0.76 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 2dng s GLY 32 CO 0.29 -0.84 1.54 0.54 0.00 0.00 0.00 173.10 174.63 2dng s LYS 33 N -3.56 3.89 -0.36 2.90 3.01 -1.26 -4.91 119.74 119.45 2dng s LYS 33 Ca 0.03 1.64 -0.30 0.00 -1.01 0.00 0.00 55.97 56.33 2dng s LYS 33 Cb 0.04 -3.98 -0.09 0.00 -1.01 0.00 0.00 37.83 32.79 2dng s LYS 33 CO -0.09 -1.17 2.27 0.39 0.51 0.00 0.00 175.35 177.26 2dng n GLU 34 N 7.46 1.36 -1.88 1.68 1.02 -1.26 -4.93 120.64 124.10 2dng n GLU 34 Ca 0.18 0.32 -0.32 0.00 -0.02 0.00 0.00 57.16 57.31 2dng n GLU 34 Cb 0.45 -2.90 0.03 0.00 -0.02 0.00 0.00 31.44 29.00 2dng n GLU 34 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dng s LEU 35 N 8.73 3.40 0.48 -4.62 1.43 -1.26 -4.97 118.68 121.86 2dng s LEU 35 Ca 1.05 1.82 -0.21 0.00 -1.03 0.00 0.00 54.13 55.76 2dng s LEU 35 Cb -0.55 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.04 2dng s LEU 35 CO 0.39 -1.34 0.66 -2.65 0.23 0.00 0.00 176.35 173.65 2dng n PRO 36 N -2.35 0.73 -0.06 1.29 -0.02 -1.26 -4.94 135.00 128.39 2dng n PRO 36 Ca 0.09 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 2dng n PRO 36 Cb 0.53 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 2dng n PRO 36 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2dng n THR 37 N -1.14 0.79 -3.80 3.45 5.66 -1.26 -4.99 114.28 113.00 2dng n THR 37 Ca 0.11 -0.65 -0.13 0.00 -3.05 0.00 0.00 64.05 60.34 2dng n THR 37 Cb 0.43 -0.31 -0.12 0.00 -1.55 0.00 0.00 70.33 68.77 2dng n THR 37 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2dng s GLU 38 N -2.76 0.26 0.94 1.09 2.56 -1.26 -5.17 118.70 114.36 2dng s GLU 38 Ca -0.08 0.26 -0.12 0.00 0.00 0.00 0.00 54.97 55.03 2dng s GLU 38 Cb 0.08 0.12 0.15 0.00 2.00 0.00 0.00 34.13 36.49 2dng s GLU 38 CO 0.76 -0.03 1.11 -1.25 -0.56 0.00 0.00 175.26 175.29 2dng s PRO 39 N 0.04 0.93 1.23 4.30 0.04 -1.26 -4.72 135.00 135.55 2dng s PRO 39 Ca -0.01 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.27 2dng s PRO 39 Cb -0.02 -1.80 0.30 0.00 0.04 0.00 0.00 34.50 33.02 2dng s PRO 39 CO 0.00 -2.37 1.11 -1.25 0.04 0.00 0.00 177.00 174.53 2dng s PRO 40 N -5.12 -1.43 -0.22 0.56 0.04 -1.26 -5.14 135.00 122.43 2dng s PRO 40 Ca 0.64 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.56 2dng s PRO 40 Cb -0.16 -1.58 0.04 0.00 0.04 0.00 0.00 34.50 32.84 2dng s PRO 40 CO 0.55 -3.83 -0.14 0.71 0.04 0.00 0.00 177.00 174.33 2dng s TYR 41 N -3.01 2.93 -0.12 0.56 2.02 -1.26 -5.04 117.35 113.42 2dng s TYR 41 Ca 0.72 -1.94 -0.02 0.00 -0.37 0.00 0.00 57.07 55.46 2dng s TYR 41 Cb -0.08 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 2dng s TYR 41 CO 0.56 -0.83 -0.06 0.99 -1.57 0.00 0.00 175.55 174.64 2dng s THR 42 N 1.23 3.71 0.05 -0.71 2.01 -1.26 -1.95 115.64 118.71 2dng s THR 42 Ca -0.02 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.60 2dng s THR 42 Cb -0.17 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2dng s THR 42 CO -0.09 0.54 -0.15 0.00 -0.69 0.00 0.00 174.62 174.23 2dng s ALA 43 N -0.07 2.71 -0.24 7.40 0.00 0.59 -3.41 121.76 128.74 2dng s ALA 43 Ca 0.01 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 2dng s ALA 43 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2dng s ALA 43 CO 0.03 0.59 0.06 -0.47 0.00 0.00 0.00 175.76 175.97 2dng s TYR 44 N -0.98 3.08 -0.22 0.00 6.14 -0.50 -0.77 117.35 124.10 2dng s TYR 44 Ca 0.16 -0.44 0.01 0.00 0.64 0.00 0.00 57.07 57.45 2dng s TYR 44 Cb -0.11 -2.22 0.05 0.00 0.42 0.00 0.00 41.96 40.10 2dng s TYR 44 CO 0.07 -0.35 -0.10 0.08 0.64 0.00 0.00 175.55 175.89 2dng s VAL 45 N 1.55 1.80 0.14 3.14 1.01 -0.81 -1.58 120.40 125.65 2dng s VAL 45 Ca 0.06 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2dng s VAL 45 Cb -0.15 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2dng s VAL 45 CO 0.03 0.08 0.06 0.61 0.00 0.00 0.00 175.10 175.88 2dng n GLY 46 N 4.60 3.47 2.18 4.51 0.00 -0.10 -2.05 105.19 117.80 2dng n GLY 46 Ca -0.14 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.55 -3.33 -4.82 1.61 4.05 -1.14 -3.32 115.26 106.76 2dng n ASN 47 Ca -0.03 -0.19 -0.28 0.00 0.45 0.00 0.00 54.58 54.53 2dng n ASN 47 Cb 0.16 -2.09 -0.05 0.00 1.23 0.00 0.00 39.78 39.03 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dng s LEU 48 N -3.24 3.91 0.87 1.20 1.43 -0.94 -4.53 118.68 117.37 2dng s LEU 48 Ca 0.18 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 2dng s LEU 48 Cb -0.08 -2.53 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 2dng s LEU 48 CO 0.25 0.10 -0.13 -2.65 0.23 0.00 0.00 176.35 174.15 2dng n PRO 49 N -0.12 -0.02 -0.31 1.29 -0.02 -1.26 -4.78 135.00 129.78 2dng n PRO 49 Ca -0.08 0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2dng n PRO 49 Cb 0.53 -1.39 0.26 0.00 -0.02 0.00 0.00 33.50 32.88 2dng n PRO 49 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2dng h PHE 50 N -0.89 0.82 -3.17 6.00 -0.00 -1.97 -3.17 116.94 114.56 2dng h PHE 50 Ca -0.44 0.04 -0.65 0.00 -0.00 0.00 0.00 57.97 56.92 2dng h PHE 50 Cb 1.32 -0.23 -0.40 0.00 -0.00 0.00 0.00 35.95 36.65 2dng h PHE 50 CO 0.29 0.17 -0.42 1.21 -0.00 0.00 0.00 178.31 179.55 2dng s ASN 51 N -5.39 5.18 -0.09 -0.68 3.84 -1.26 -4.55 114.94 111.99 2dng s ASN 51 Ca -0.12 -3.78 -0.02 0.00 0.21 0.00 0.00 52.86 49.15 2dng s ASN 51 Cb 0.23 -1.73 -0.03 0.00 -0.55 0.00 0.00 41.25 39.17 2dng s ASN 51 CO 0.78 -0.12 0.01 -0.89 -2.79 0.00 0.00 177.10 174.10 2dng s THR 52 N -1.37 4.42 0.22 -5.21 2.01 -1.20 -5.12 115.64 109.39 2dng s THR 52 Ca 0.25 -0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.15 2dng s THR 52 Cb -0.06 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2dng s THR 52 CO -0.15 0.60 -0.13 0.68 -0.69 0.00 0.00 174.62 174.94 2dng s VAL 53 N -0.86 2.92 0.64 3.82 -7.23 -1.26 -4.98 120.40 113.45 2dng s VAL 53 Ca 0.13 -1.93 0.30 0.00 -1.81 0.00 0.00 61.98 58.67 2dng s VAL 53 Cb -0.11 -2.47 0.32 0.00 0.56 0.00 0.00 36.38 34.68 2dng s VAL 53 CO 0.02 -0.22 1.93 0.06 -0.31 0.00 0.00 175.10 176.59 2dng h GLN 54 N 2.66 0.00 0.78 4.82 -0.00 -1.99 -2.50 115.11 118.88 2dng h GLN 54 Ca -0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.17 2dng h GLN 54 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 2dng h GLN 54 CO 0.55 0.00 -0.44 0.78 -0.00 0.00 0.00 178.83 179.72 2dng h GLY 55 N 0.00 -1.25 -0.54 0.06 0.00 -1.99 -1.45 103.07 97.90 2dng h GLY 55 Ca 0.06 0.49 0.07 0.00 0.00 0.00 0.00 47.33 47.95 2dng h GLY 55 CO -0.00 -0.44 -0.50 -1.80 0.00 0.00 0.00 176.54 173.80 2dng h ASP 56 N -1.13 -1.72 -0.94 0.19 3.58 -1.87 0.20 116.42 114.73 2dng h ASP 56 Ca -0.11 0.26 0.17 0.00 0.42 0.00 0.00 57.03 57.78 2dng h ASP 56 Cb 0.89 0.75 -0.10 0.00 1.72 0.00 0.00 39.33 42.59 2dng h ASP 56 CO 0.13 -0.35 0.53 0.40 -2.88 0.00 0.00 179.24 177.07 2dng h ILE 57 N -0.26 0.70 -0.78 2.25 1.08 -1.64 0.51 117.51 119.38 2dng h ILE 57 Ca 0.14 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2dng h ILE 57 Cb 0.56 -0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 2dng h ILE 57 CO -0.69 0.12 0.45 -0.78 -0.69 0.00 0.00 178.15 176.56 2dng h ASP 58 N 0.68 0.66 -0.09 1.72 1.82 0.49 -1.57 116.42 120.14 2dng h ASP 58 Ca 0.53 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 57.13 2dng h ASP 58 Cb 0.81 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2dng h ASP 58 CO -0.39 0.40 -0.27 0.00 -1.61 0.00 0.00 179.24 177.37 2dng h ALA 59 N 1.41 0.15 -0.90 -0.78 0.00 -0.21 -1.34 119.26 117.59 2dng h ALA 59 Ca 0.36 -0.41 0.17 0.00 0.00 0.00 0.00 54.91 55.03 2dng h ALA 59 Cb 0.27 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 2dng h ALA 59 CO -0.21 0.16 0.48 0.82 0.00 0.00 0.00 179.25 180.50 2dng h ILE 60 N -0.13 0.67 -0.57 0.00 2.04 -0.66 0.92 117.51 119.79 2dng h ILE 60 Ca -0.01 -0.21 -0.22 0.00 1.00 0.00 0.00 64.86 65.42 2dng h ILE 60 Cb 0.89 -0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.84 2dng h ILE 60 CO 0.06 0.11 0.18 0.49 0.00 0.00 0.00 178.15 178.99 2dng n PHE 61 N -4.87 1.83 0.16 1.37 3.72 -0.62 -4.61 117.46 114.43 2dng n PHE 61 Ca 0.20 -1.40 0.18 0.00 -0.05 0.00 0.00 57.45 56.38 2dng n PHE 61 Cb 0.52 -0.60 0.79 0.00 -0.94 0.00 0.00 39.48 39.24 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 1.63 0.00 -0.23 -1.08 2.10 0.40 0.12 116.57 119.50 2dng h LYS 62 Ca 0.27 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.75 2dng h LYS 62 Cb 2.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.37 2dng h LYS 62 CO 0.60 0.00 -0.56 -0.44 -2.00 0.00 0.00 179.45 177.04 2dng h ASP 63 N 0.00 0.81 -3.82 7.07 5.19 -1.82 -3.45 116.42 120.40 2dng h ASP 63 Ca 0.13 -0.44 -0.49 0.00 -0.62 0.00 0.00 57.03 55.61 2dng h ASP 63 Cb 0.68 -0.23 0.03 0.00 0.18 0.00 0.00 39.33 39.98 2dng h ASP 63 CO -0.00 1.20 0.20 -0.76 -3.12 0.00 0.00 179.24 176.76 2dng s LEU 64 N -8.51 3.62 -1.05 1.55 1.43 0.03 -4.99 118.68 110.76 2dng s LEU 64 Ca -0.09 1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.96 2dng s LEU 64 Cb 0.11 -4.10 0.09 0.00 0.03 0.00 0.00 46.19 42.31 2dng s LEU 64 CO 0.87 -0.57 1.39 -0.44 0.23 0.00 0.00 176.35 177.83 2dng s SER 65 N -3.69 6.64 0.36 2.29 0.01 -1.26 -4.97 113.70 113.08 2dng s SER 65 Ca 0.51 -1.92 -0.28 0.00 1.31 0.00 0.00 55.95 55.57 2dng s SER 65 Cb -0.10 -2.50 -0.10 0.00 0.21 0.00 0.00 66.02 63.53 2dng s SER 65 CO 0.41 -1.25 1.29 -0.63 0.41 0.00 0.00 173.24 173.46 2dng s ILE 66 N 3.84 2.74 -0.27 1.44 1.01 -1.26 -2.60 121.20 126.10 2dng s ILE 66 Ca 0.43 0.71 -0.14 0.00 0.00 0.00 0.00 60.65 61.65 2dng s ILE 66 Cb -0.01 -3.44 -0.14 0.00 0.01 0.00 0.00 42.46 38.88 2dng s ILE 66 CO -0.06 0.14 -0.26 -1.14 0.00 0.00 0.00 174.94 173.62 2dng n ARG 67 N 0.56 0.59 -3.54 2.79 0.63 0.25 -4.70 116.66 113.24 2dng n ARG 67 Ca 0.01 0.30 -0.09 0.00 -0.92 0.00 0.00 57.85 57.15 2dng n ARG 67 Cb 0.43 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 31.77 2dng n ARG 67 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dng s SER 68 N -7.35 -0.35 -0.10 6.15 1.04 -1.19 -4.97 113.70 106.92 2dng s SER 68 Ca -0.37 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.26 2dng s SER 68 Cb 0.13 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 2dng s SER 68 CO 0.52 -0.49 -0.23 -0.69 0.98 0.00 0.00 173.24 173.32 2dng s VAL 69 N -2.30 2.10 -0.24 5.02 1.01 -1.26 -0.27 120.40 124.46 2dng s VAL 69 Ca 0.03 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2dng s VAL 69 Cb -0.01 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.62 2dng s VAL 69 CO -0.04 0.56 -0.13 -0.13 0.00 0.00 0.00 175.10 175.36 2dng s ARG 70 N 0.37 2.38 -0.28 2.72 1.81 0.02 -5.02 118.95 120.95 2dng s ARG 70 Ca -0.18 -1.21 -0.11 0.00 -1.72 0.00 0.00 55.73 52.50 2dng s ARG 70 Cb -0.18 -2.80 -0.05 0.00 -0.45 0.00 0.00 34.95 31.48 2dng s ARG 70 CO 0.08 -0.49 0.21 -0.51 -0.68 0.00 0.00 175.30 173.91 2dng s LEU 71 N 1.16 4.02 0.20 2.53 1.43 -1.26 -0.68 118.68 126.08 2dng s LEU 71 Ca -0.06 0.01 -0.28 0.00 -1.03 0.00 0.00 54.13 52.78 2dng s LEU 71 Cb -0.18 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 2dng s LEU 71 CO -0.07 -0.06 0.86 -0.69 0.23 0.00 0.00 176.35 176.62 2dng s VAL 72 N 1.79 4.23 0.06 -1.59 1.01 -1.26 -5.04 120.40 119.60 2dng s VAL 72 Ca 0.08 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.99 2dng s VAL 72 Cb -0.16 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2dng s VAL 72 CO 0.11 0.50 -0.08 -0.13 0.00 0.00 0.00 175.10 175.50 2dng s ARG 73 N -1.11 0.66 0.83 2.72 0.52 -1.26 -3.48 118.95 117.83 2dng s ARG 73 Ca 0.39 -0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 54.50 2dng s ARG 73 Cb -0.25 -0.33 0.20 0.00 0.52 0.00 0.00 34.95 35.10 2dng s ARG 73 CO 0.29 0.04 0.87 -3.47 0.02 0.00 0.00 175.30 173.06 2dng n ASP 74 N 0.97 -1.08 -0.04 0.23 2.03 -1.24 -4.91 116.55 112.51 2dng n ASP 74 Ca -0.19 -1.13 -0.01 0.00 0.52 0.00 0.00 54.79 53.97 2dng n ASP 74 Cb 0.56 -0.74 -0.09 0.00 -0.72 0.00 0.00 41.12 40.13 2dng n ASP 74 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2dng n LYS 75 N -3.62 1.50 -0.03 -0.67 2.85 -1.26 -3.60 118.16 113.32 2dng n LYS 75 Ca 0.12 -0.04 -0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2dng n LYS 75 Cb 0.43 -1.28 -0.00 0.00 -0.65 0.00 0.00 35.03 33.53 2dng n LYS 75 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2dng h ASP 76 N 0.00 0.00 0.54 -5.58 1.82 -2.01 -3.39 116.42 107.80 2dng h ASP 76 Ca -0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2dng h ASP 76 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 2dng h ASP 76 CO 0.01 0.32 -1.13 0.35 -1.61 0.00 0.00 179.24 177.18 2dng n THR 77 N -3.75 0.27 -4.02 2.25 -2.24 -1.26 -4.98 114.28 100.55 2dng n THR 77 Ca -0.00 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 2dng n THR 77 Cb 0.01 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 2dng n THR 77 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dng n ASP 78 N -2.19 -2.14 -4.49 3.42 2.03 -1.24 -4.95 116.55 106.99 2dng n ASP 78 Ca 0.01 -0.95 -0.28 0.00 0.52 0.00 0.00 54.79 54.08 2dng n ASP 78 Cb 0.48 -3.18 -0.11 0.00 -0.72 0.00 0.00 41.12 37.60 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 -6.65 1.79 -0.30 -0.67 1.02 -1.26 -4.70 119.74 108.96 2dng s LYS 79 Ca 0.36 -1.29 -0.42 0.00 0.02 0.00 0.00 55.97 54.64 2dng s LYS 79 Cb -0.19 -2.06 -0.18 0.00 -0.52 0.00 0.00 37.83 34.88 2dng s LYS 79 CO 0.89 0.45 1.60 0.34 -0.92 0.00 0.00 175.35 177.70 2dng n PHE 80 N 0.47 1.78 -0.08 3.18 7.35 -1.26 -3.71 117.46 125.19 2dng n PHE 80 Ca -0.14 0.81 -0.11 0.00 -0.76 0.00 0.00 57.45 57.26 2dng n PHE 80 Cb 0.54 -2.33 0.02 0.00 0.35 0.00 0.00 39.48 38.06 2dng n PHE 80 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2dng h LYS 81 N 5.81 0.80 0.00 -4.13 1.79 -1.88 -3.48 116.57 115.48 2dng h LYS 81 Ca -0.46 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 2dng h LYS 81 Cb 1.35 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2dng h LYS 81 CO 0.93 1.06 0.00 0.41 -1.08 0.00 0.00 179.45 180.76 2dng n GLY 82 N 0.10 0.64 3.07 3.86 0.00 -1.26 -5.06 105.19 106.54 2dng n GLY 82 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.52 0.67 0.06 1.61 -0.71 -1.26 -2.21 117.98 115.61 2dng s PHE 83 Ca 0.00 -0.60 -0.04 0.00 -1.04 0.00 0.00 56.93 55.26 2dng s PHE 83 Cb 0.00 -0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 41.38 2dng s PHE 83 CO 0.00 -0.12 0.05 0.00 -1.34 0.00 0.00 175.22 173.81 2dng s TYR 85 N -3.55 3.17 -0.21 0.00 2.02 0.14 -1.93 117.35 117.00 2dng s TYR 85 Ca 0.03 -0.84 -0.08 0.00 -0.37 0.00 0.00 57.07 55.80 2dng s TYR 85 Cb 0.05 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2dng s TYR 85 CO -0.09 -0.55 0.09 0.08 -1.57 0.00 0.00 175.55 173.52 2dng s VAL 86 N 1.54 4.93 0.19 0.71 1.01 0.05 -0.80 120.40 128.04 2dng s VAL 86 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2dng s VAL 86 Cb -0.17 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2dng s VAL 86 CO 0.04 0.42 0.33 -1.61 0.00 0.00 0.00 175.10 174.28 2dng s GLU 87 N 0.68 3.45 0.09 2.72 2.02 0.62 -0.30 118.70 127.98 2dng s GLU 87 Ca 0.05 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.44 2dng s GLU 87 Cb -0.13 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 2dng s GLU 87 CO 0.01 0.47 -0.10 -0.06 0.02 0.00 0.00 175.26 175.61 2dng s PHE 88 N -1.86 1.01 0.00 1.61 0.40 -0.82 -0.58 117.98 117.74 2dng s PHE 88 Ca 0.35 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2dng s PHE 88 Cb -0.10 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.87 2dng s PHE 88 CO 0.29 -0.02 0.52 -3.47 0.70 0.00 0.00 175.22 173.23 2dng n ASP 89 N 0.57 0.00 -4.97 1.36 2.03 -1.07 -4.17 116.55 110.30 2dng n ASP 89 Ca -0.16 0.75 -0.21 0.00 0.52 0.00 0.00 54.79 55.69 2dng n ASP 89 Cb 0.58 -0.49 0.02 0.00 -0.72 0.00 0.00 41.12 40.50 2dng n ASP 89 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2dng s GLU 90 N -2.02 2.90 -0.01 -0.67 0.41 -1.26 -4.76 118.70 113.28 2dng s GLU 90 Ca 0.00 -0.77 -0.25 0.00 -0.41 0.00 0.00 54.97 53.55 2dng s GLU 90 Cb 0.00 -2.62 -0.19 0.00 -1.78 0.00 0.00 34.13 29.54 2dng s GLU 90 CO 0.00 -0.33 1.26 -0.24 -0.49 0.00 0.00 175.26 175.46 2dng h VAL 91 N 0.44 1.40 -0.93 2.63 3.04 -1.99 -3.26 116.25 117.57 2dng h VAL 91 Ca -0.44 -1.25 0.18 0.00 -1.01 0.00 0.00 66.70 64.17 2dng h VAL 91 Cb 1.27 2.16 -0.17 0.00 -2.01 0.00 0.00 31.29 32.54 2dng h VAL 91 CO 0.53 0.34 -0.26 -0.67 -1.01 0.00 0.00 177.57 176.50 2dng n ASP 92 N -4.76 -0.40 -0.13 3.17 2.03 -1.26 -0.43 116.55 114.77 2dng n ASP 92 Ca -0.08 1.61 -0.10 0.00 0.52 0.00 0.00 54.79 56.74 2dng n ASP 92 Cb 0.29 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.16 2dng n ASP 92 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dng h SER 93 N 0.00 -1.43 0.24 1.67 0.02 -1.95 -1.31 113.55 110.80 2dng h SER 93 Ca 0.42 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.55 2dng h SER 93 Cb 0.66 0.59 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2dng h SER 93 CO -0.96 -0.29 -0.12 0.25 -1.14 0.00 0.00 176.83 174.58 2dng h LEU 94 N -0.27 -0.28 -1.53 5.07 5.85 -1.07 -1.97 115.31 121.12 2dng h LEU 94 Ca 0.06 -0.03 0.50 0.00 0.84 0.00 0.00 57.88 59.25 2dng h LEU 94 Cb 0.43 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 2dng h LEU 94 CO -0.47 -0.15 1.02 1.17 -0.34 0.00 0.00 178.44 179.67 2dng n LYS 95 N -5.21 -0.03 -0.06 1.25 4.81 0.43 0.38 118.16 119.73 2dng n LYS 95 Ca -0.09 1.18 -0.18 0.00 -0.87 0.00 0.00 58.31 58.35 2dng n LYS 95 Cb 0.17 -2.44 -0.13 0.00 0.02 0.00 0.00 35.03 32.65 2dng n LYS 95 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2dng h GLU 96 N 0.00 0.06 -0.28 1.64 4.57 -0.78 -3.31 114.58 116.47 2dng h GLU 96 Ca 0.88 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 59.04 2dng h GLU 96 Cb 3.06 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 31.68 2dng h GLU 96 CO -0.33 1.05 0.44 0.00 -1.18 0.00 0.00 179.01 178.99 2dng h ALA 97 N -0.13 1.87 0.00 2.92 0.00 0.67 0.24 119.26 124.83 2dng h ALA 97 Ca -0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dng h ALA 97 Cb 1.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dng h ALA 97 CO -0.03 -0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 178.54 2dng h LEU 98 N 0.00 0.00 -0.71 0.00 3.38 -1.13 -1.80 115.31 115.05 2dng h LEU 98 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2dng h LEU 98 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2dng h LEU 98 CO -0.00 0.02 -0.08 0.71 0.09 0.00 0.00 178.44 179.18 2dng h THR 99 N 0.00 1.26 -0.64 0.22 1.35 -0.72 -2.81 112.91 111.58 2dng h THR 99 Ca -0.00 -1.19 0.19 0.00 -0.55 0.00 0.00 66.41 64.86 2dng h THR 99 Cb 0.05 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 2dng h THR 99 CO 0.00 0.42 1.00 1.88 -0.25 0.00 0.00 175.52 178.56 2dng h TYR 100 N 0.82 0.00 -1.37 4.73 -1.99 -1.47 -3.38 116.97 114.32 2dng h TYR 100 Ca 0.14 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.49 2dng h TYR 100 Cb 0.60 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.34 2dng h TYR 100 CO 0.04 0.00 1.33 0.16 -0.00 0.00 0.00 178.16 179.69 2dng s ASP 101 N -3.69 4.31 0.00 3.88 -4.77 -1.06 -1.18 116.67 114.15 2dng s ASP 101 Ca -0.02 0.90 0.00 0.00 -3.30 0.00 0.00 52.55 50.12 2dng s ASP 101 Cb 0.11 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.43 2dng s ASP 101 CO 0.36 -3.09 0.00 0.61 0.70 0.00 0.00 175.17 173.75 2dng n GLY 102 N 6.16 0.82 3.94 2.12 0.00 -1.25 -5.02 105.19 111.96 2dng n GLY 102 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.64 3.51 -0.14 4.61 0.00 -0.33 -4.94 121.76 123.82 2dng s ALA 103 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2dng s ALA 103 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 2dng s ALA 103 CO 0.00 -0.74 0.02 -0.51 0.00 0.00 0.00 175.76 174.53 2dng s LEU 104 N -4.87 3.63 -0.58 0.00 1.43 -1.26 -1.93 118.68 115.11 2dng s LEU 104 Ca 0.54 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.65 2dng s LEU 104 Cb -0.10 -1.88 0.15 0.00 0.03 0.00 0.00 46.19 44.39 2dng s LEU 104 CO 0.42 0.24 0.42 -0.22 0.23 0.00 0.00 176.35 177.44 2dng s LEU 105 N -0.07 5.53 0.00 1.79 2.96 0.62 -4.91 118.68 124.59 2dng s LEU 105 Ca 0.05 -2.48 0.00 0.00 -0.22 0.00 0.00 54.13 51.47 2dng s LEU 105 Cb -0.12 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2dng s LEU 105 CO 0.02 -0.50 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 2dng n GLY 106 N 4.05 3.45 1.78 7.98 0.00 -1.26 -1.55 105.19 119.65 2dng n GLY 106 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2dng n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dng n ASP 107 N 9.48 4.90 -2.55 1.61 2.03 -1.26 -4.93 116.55 125.82 2dng n ASP 107 Ca 0.00 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 52.27 2dng n ASP 107 Cb 0.00 -0.69 -0.04 0.00 -0.72 0.00 0.00 41.12 39.68 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dng n ARG 108 N 0.29 0.45 -3.70 -0.67 1.74 -0.59 -5.15 116.66 109.02 2dng n ARG 108 Ca 0.29 -2.23 -0.23 0.00 -0.77 0.00 0.00 57.85 54.91 2dng n ARG 108 Cb 1.16 2.03 -0.02 0.00 -1.02 0.00 0.00 32.46 34.60 2dng n ARG 108 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dng s SER 109 N -2.66 4.84 -0.07 0.55 0.01 -1.26 -0.28 113.70 114.83 2dng s SER 109 Ca 0.25 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.59 2dng s SER 109 Cb 0.00 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 2dng s SER 109 CO 0.18 -0.82 -0.15 -0.76 0.41 0.00 0.00 173.24 172.09 2dng s LEU 110 N -4.18 2.66 -0.28 2.44 1.43 -0.81 -4.48 118.68 115.46 2dng s LEU 110 Ca 0.44 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2dng s LEU 110 Cb -0.02 -1.55 0.09 0.00 0.03 0.00 0.00 46.19 44.74 2dng s LEU 110 CO 0.26 0.30 0.09 -0.60 0.23 0.00 0.00 176.35 176.63 2dng s ARG 111 N -0.46 0.57 -0.06 1.70 6.06 -1.21 -3.97 118.95 121.58 2dng s ARG 111 Ca 0.06 -0.80 0.06 0.00 -2.50 0.00 0.00 55.73 52.55 2dng s ARG 111 Cb -0.12 -1.81 -0.01 0.00 0.06 0.00 0.00 34.95 33.07 2dng s ARG 111 CO 0.02 -0.92 -0.25 0.08 -2.50 0.00 0.00 175.30 171.73 2dng s VAL 112 N 1.79 2.07 0.18 7.11 1.01 -1.26 -0.92 120.40 130.38 2dng s VAL 112 Ca 0.07 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2dng s VAL 112 Cb -0.17 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2dng s VAL 112 CO -0.24 0.57 0.44 -0.62 0.00 0.00 0.00 175.10 175.25 2dng s ASP 113 N -0.17 -0.17 -0.26 3.32 2.15 -0.61 -4.76 116.67 116.18 2dng s ASP 113 Ca -0.04 -0.58 -0.29 0.00 0.43 0.00 0.00 52.55 52.07 2dng s ASP 113 Cb -0.14 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2dng s ASP 113 CO 0.04 -0.99 1.21 -0.63 -0.17 0.00 0.00 175.17 174.63 2dng s ILE 114 N -3.89 4.32 -0.62 4.11 1.01 -1.26 -1.41 121.20 123.46 2dng s ILE 114 Ca 0.11 1.54 -0.26 0.00 0.00 0.00 0.00 60.65 62.04 2dng s ILE 114 Cb 0.01 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 2dng s ILE 114 CO -0.03 -0.35 2.40 0.00 0.00 0.00 0.00 174.94 176.96 2dng s ALA 115 N 3.84 1.25 -0.12 9.38 0.00 -1.22 -4.90 121.76 129.99 2dng s ALA 115 Ca 0.52 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 2dng s ALA 115 Cb -0.17 -4.44 -0.04 0.00 0.00 0.00 0.00 23.12 18.47 2dng s ALA 115 CO 0.17 -5.07 0.06 -2.00 0.00 0.00 0.00 175.76 168.93 2dng s GLU 116 N 8.50 3.35 0.00 0.00 2.12 -1.26 -4.94 118.70 126.47 2dng s GLU 116 Ca 0.95 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.98 2dng s GLU 116 Cb -0.15 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2dng s GLU 116 CO 0.18 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 175.95 2dng n GLY 117 N 2.37 -2.00 3.66 -1.50 0.00 -1.26 -5.10 105.19 101.36 2dng n GLY 117 Ca -0.19 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 2dng n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dng s ARG 118 N -0.11 4.15 0.32 1.61 3.00 -1.26 -4.99 118.95 121.68 2dng s ARG 118 Ca 0.00 2.09 -0.15 0.00 -1.00 0.00 0.00 55.73 56.66 2dng s ARG 118 Cb 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 34.95 30.89 2dng s ARG 118 CO 0.00 -0.87 0.75 0.15 0.00 0.00 0.00 175.30 175.33 2dng s LYS 119 N 4.03 4.02 0.08 5.12 1.02 -1.26 -5.06 119.74 127.69 2dng s LYS 119 Ca 0.71 0.70 -0.17 0.00 0.02 0.00 0.00 55.97 57.23 2dng s LYS 119 Cb -0.31 -2.43 -0.06 0.00 -0.52 0.00 0.00 37.83 34.50 2dng s LYS 119 CO 0.28 0.16 0.52 -1.14 -0.92 0.00 0.00 175.35 174.24 2dng s GLN 120 N -2.96 4.06 -0.09 1.68 0.74 -1.26 -5.08 119.66 116.75 2dng s GLN 120 Ca 0.54 0.58 0.04 0.00 0.05 0.00 0.00 55.36 56.57 2dng s GLN 120 Cb -0.10 -3.14 -0.00 0.00 1.10 0.00 0.00 33.01 30.87 2dng s GLN 120 CO 0.17 0.60 -0.23 -0.51 -0.55 0.00 0.00 175.29 174.77 2dng s ASP 121 N -1.30 3.01 0.13 6.67 1.11 -1.26 -5.13 116.67 119.90 2dng s ASP 121 Ca 0.30 -0.54 0.05 0.00 0.18 0.00 0.00 52.55 52.54 2dng s ASP 121 Cb -0.17 -1.32 -0.04 0.00 1.07 0.00 0.00 42.92 42.46 2dng s ASP 121 CO 0.18 0.16 0.09 -1.59 1.18 0.00 0.00 175.17 175.19 2dng s LYS 122 N 0.31 2.81 -0.20 8.23 -2.85 -1.26 -5.11 119.74 121.67 2dng s LYS 122 Ca -0.17 -0.84 -0.04 0.00 -1.00 0.00 0.00 55.97 53.91 2dng s LYS 122 Cb -0.17 -2.63 0.07 0.00 -2.06 0.00 0.00 37.83 33.03 2dng s LYS 122 CO 0.08 0.51 0.09 0.45 0.10 0.00 0.00 175.35 176.58 2dng s SER 123 N -2.81 2.68 0.00 0.03 0.15 -1.26 -5.11 113.70 107.38 2dng s SER 123 Ca 0.30 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2dng s SER 123 Cb -0.11 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2dng s SER 123 CO 0.22 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dng n GLY 124 N 5.22 2.61 3.16 9.45 0.00 -1.26 -5.16 105.19 119.21 2dng n GLY 124 Ca -0.07 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2dng n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dng n PRO 125 N -0.58 -1.31 -3.73 1.61 -0.02 -1.26 -5.04 135.00 124.66 2dng n PRO 125 Ca 0.00 -0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 60.99 2dng n PRO 125 Cb 0.00 -1.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 2dng n PRO 125 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2dng s SER 126 N -1.64 -0.37 -0.36 2.55 1.04 -1.26 -5.12 113.70 108.55 2dng s SER 126 Ca 0.48 0.68 -0.29 0.00 0.48 0.00 0.00 55.95 57.30 2dng s SER 126 Cb -0.05 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2dng s SER 126 CO 0.61 -0.15 1.33 -0.55 0.98 0.00 0.00 173.24 175.45 2dng s SER 127 N 0.81 6.55 0.00 7.02 0.15 -1.26 -5.35 113.70 121.61 2dng s SER 127 Ca -0.05 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2dng s SER 127 Cb -0.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dng s SER 127 CO -0.06 -1.22 0.03 0.61 1.20 0.00 0.00 173.24 173.81