#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 -0.88 0.33 1.61 0.15 -1.26 -5.17 113.70 108.48 2dng s SER 27 Ca 0.00 1.41 0.05 0.00 0.70 0.00 0.00 55.95 58.11 2dng s SER 27 Cb 0.00 1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 65.68 2dng s SER 27 CO 0.00 -0.22 0.48 -0.44 1.20 0.00 0.00 173.24 174.26 2dng s SER 28 N 1.62 6.04 -0.47 5.45 0.01 -1.26 -5.08 113.70 120.01 2dng s SER 28 Ca -0.10 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.17 2dng s SER 28 Cb -0.05 -1.44 0.22 0.00 0.21 0.00 0.00 66.02 64.96 2dng s SER 28 CO -0.19 -0.39 0.88 0.61 0.41 0.00 0.00 173.24 174.56 2dng n GLY 29 N -1.66 -0.55 2.65 3.44 0.00 -1.26 -5.12 105.19 102.68 2dng n GLY 29 Ca -0.02 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 2dng n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dng s SER 30 N -0.31 1.74 -0.25 1.61 1.04 -1.26 -5.13 113.70 111.15 2dng s SER 30 Ca 0.30 -0.26 -0.27 0.00 0.48 0.00 0.00 55.95 56.19 2dng s SER 30 Cb 0.13 -0.20 0.15 0.00 0.10 0.00 0.00 66.02 66.20 2dng s SER 30 CO -0.14 -0.30 1.18 -0.55 0.98 0.00 0.00 173.24 174.41 2dng s SER 31 N 2.15 -0.26 0.13 7.02 0.15 -1.26 -5.08 113.70 116.54 2dng s SER 31 Ca 0.03 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2dng s SER 31 Cb -0.14 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dng s SER 31 CO -0.06 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dng n GLY 32 N 1.39 -1.06 3.16 9.45 0.00 -1.26 -5.15 105.19 111.72 2dng n GLY 32 Ca -0.09 0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2dng n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dng n LYS 33 N -2.79 -1.37 -3.57 1.61 2.85 -1.26 -4.92 118.16 108.72 2dng n LYS 33 Ca 0.00 -0.39 -0.36 0.00 -1.05 0.00 0.00 58.31 56.51 2dng n LYS 33 Cb 0.00 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 32.83 2dng n LYS 33 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2dng n GLU 34 N -0.96 2.80 -1.04 -1.58 0.28 -1.26 -5.07 120.64 113.81 2dng n GLU 34 Ca 0.01 -4.50 -0.34 0.00 -0.16 0.00 0.00 57.16 52.17 2dng n GLU 34 Cb 0.60 -2.41 0.11 0.00 1.43 0.00 0.00 31.44 31.17 2dng n GLU 34 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2dng n LEU 35 N 2.10 1.90 -4.77 -1.84 4.77 -1.26 -4.96 117.00 112.93 2dng n LEU 35 Ca 0.23 0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 56.40 2dng n LEU 35 Cb 0.37 -1.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 2dng n LEU 35 CO 0.40 -2.73 0.71 -2.16 -1.33 0.00 0.00 177.39 172.28 2dng s PRO 36 N -3.58 2.41 -0.10 3.23 0.04 -1.26 -5.01 135.00 130.73 2dng s PRO 36 Ca 0.66 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.91 2dng s PRO 36 Cb -0.28 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 2dng s PRO 36 CO 0.58 -1.53 -0.07 2.41 0.04 0.00 0.00 177.00 178.44 2dng n THR 37 N -3.28 0.57 -4.76 1.26 -1.04 -1.26 -5.03 114.28 100.74 2dng n THR 37 Ca 0.09 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.05 61.62 2dng n THR 37 Cb 0.53 -0.84 -0.15 0.00 -1.82 0.00 0.00 70.33 68.04 2dng n THR 37 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2dng s GLU 38 N -2.20 1.34 0.84 -2.82 2.12 -1.26 -5.15 118.70 111.58 2dng s GLU 38 Ca -0.12 -0.58 -0.12 0.00 0.36 0.00 0.00 54.97 54.52 2dng s GLU 38 Cb 0.03 -1.28 0.10 0.00 0.26 0.00 0.00 34.13 33.24 2dng s GLU 38 CO 0.25 0.34 1.14 -1.25 -0.54 0.00 0.00 175.26 175.20 2dng s PRO 39 N -0.34 1.69 1.25 4.30 0.04 -1.26 -4.70 135.00 135.98 2dng s PRO 39 Ca 0.05 0.29 -0.21 0.00 0.04 0.00 0.00 61.00 61.17 2dng s PRO 39 Cb -0.07 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.88 2dng s PRO 39 CO -0.00 -1.82 1.11 -1.25 0.04 0.00 0.00 177.00 175.08 2dng s PRO 40 N -5.37 -1.62 -0.12 0.56 0.04 -1.26 -5.15 135.00 122.07 2dng s PRO 40 Ca 0.62 -0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.48 2dng s PRO 40 Cb -0.13 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.85 2dng s PRO 40 CO 0.52 -3.95 -0.23 0.71 0.04 0.00 0.00 177.00 174.09 2dng s TYR 41 N -3.02 2.63 -0.15 0.56 2.02 -1.26 -5.04 117.35 113.10 2dng s TYR 41 Ca 0.72 -1.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2dng s TYR 41 Cb -0.07 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2dng s TYR 41 CO 0.56 -0.53 -0.19 0.99 -1.57 0.00 0.00 175.55 174.80 2dng s THR 42 N 0.62 2.30 -0.04 -0.71 2.01 -1.26 -1.40 115.64 117.16 2dng s THR 42 Ca -0.12 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 60.99 2dng s THR 42 Cb -0.16 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2dng s THR 42 CO 0.02 0.54 -0.04 0.00 -0.69 0.00 0.00 174.62 174.45 2dng s ALA 43 N 0.82 3.11 -0.10 7.40 0.00 -0.66 -3.58 121.76 128.76 2dng s ALA 43 Ca -0.06 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 2dng s ALA 43 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 2dng s ALA 43 CO -0.01 0.60 0.36 -0.47 0.00 0.00 0.00 175.76 176.24 2dng s TYR 44 N -0.93 3.56 -0.04 0.00 6.14 0.17 -1.23 117.35 125.02 2dng s TYR 44 Ca 0.15 0.78 0.01 0.00 0.64 0.00 0.00 57.07 58.66 2dng s TYR 44 Cb -0.11 -2.34 0.02 0.00 0.42 0.00 0.00 41.96 39.94 2dng s TYR 44 CO 0.05 0.38 -0.06 0.08 0.64 0.00 0.00 175.55 176.64 2dng s VAL 45 N -0.08 0.66 0.35 3.14 1.01 -0.79 -1.56 120.40 123.14 2dng s VAL 45 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2dng s VAL 45 Cb -0.14 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2dng s VAL 45 CO 0.08 0.25 0.18 0.61 0.00 0.00 0.00 175.10 176.21 2dng n GLY 46 N 3.90 3.20 2.09 4.51 0.00 -0.43 -1.21 105.19 117.25 2dng n GLY 46 Ca -0.24 -2.02 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.65 -3.22 -4.94 1.61 4.05 -1.21 -3.05 115.26 106.86 2dng n ASN 47 Ca -0.01 -0.16 -0.26 0.00 0.45 0.00 0.00 54.58 54.60 2dng n ASN 47 Cb 0.56 -1.85 -0.03 0.00 1.23 0.00 0.00 39.78 39.69 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 -2.91 4.21 1.02 1.20 1.43 -1.22 -4.54 118.68 117.87 2dng s LEU 48 Ca 0.16 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.44 2dng s LEU 48 Cb -0.07 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 43.03 2dng s LEU 48 CO 0.22 -0.09 -0.09 -2.65 0.23 0.00 0.00 176.35 173.97 2dng n PRO 49 N -0.97 -0.67 -0.12 1.29 -0.02 -1.26 -4.88 135.00 128.37 2dng n PRO 49 Ca -0.05 -0.17 -0.07 0.00 -2.02 0.00 0.00 63.50 61.19 2dng n PRO 49 Cb 0.55 -1.60 0.01 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.60 0.35 -3.03 6.00 0.04 -1.99 -3.24 116.94 113.46 2dng h PHE 50 Ca -0.47 0.02 -0.74 0.00 2.80 0.00 0.00 57.97 59.58 2dng h PHE 50 Cb 1.32 -0.10 -0.32 0.00 2.20 0.00 0.00 35.95 39.05 2dng h PHE 50 CO 0.25 0.18 0.25 0.27 -0.60 0.00 0.00 178.31 178.66 2dng n ASN 51 N -4.93 5.19 -4.63 2.17 6.94 -1.26 -4.72 115.26 114.01 2dng n ASN 51 Ca 0.01 -3.27 -0.38 0.00 -0.02 0.00 0.00 54.58 50.92 2dng n ASN 51 Cb 0.09 -1.13 -0.09 0.00 -2.36 0.00 0.00 39.78 36.29 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2dng s THR 52 N -2.06 5.23 0.38 5.53 2.01 -1.23 -5.06 115.64 120.44 2dng s THR 52 Ca 0.32 0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.89 2dng s THR 52 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2dng s THR 52 CO -0.01 0.23 0.15 0.68 -0.69 0.00 0.00 174.62 174.97 2dng s VAL 53 N 1.62 2.62 0.18 3.82 -7.23 -1.26 -4.97 120.40 115.18 2dng s VAL 53 Ca 0.14 -1.73 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 2dng s VAL 53 Cb -0.15 -2.96 0.09 0.00 0.56 0.00 0.00 36.38 33.92 2dng s VAL 53 CO 0.08 -0.10 1.58 -0.61 -0.31 0.00 0.00 175.10 175.75 2dng h GLN 54 N 1.51 -0.19 -0.48 4.82 4.15 -1.98 -1.54 115.11 121.41 2dng h GLN 54 Ca -0.43 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.09 2dng h GLN 54 Cb 1.25 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.89 2dng h GLN 54 CO 0.67 -0.13 -0.36 0.78 -1.93 0.00 0.00 178.83 177.86 2dng h GLY 55 N -0.20 -0.28 -0.89 2.39 0.00 -1.99 -0.97 103.07 101.14 2dng h GLY 55 Ca 0.21 0.46 0.17 0.00 0.00 0.00 0.00 47.33 48.17 2dng h GLY 55 CO -0.66 -0.20 -0.24 1.34 0.00 0.00 0.00 176.54 176.78 2dng n ASP 56 N -5.42 -0.36 0.14 0.19 2.03 -0.58 -0.12 116.55 112.42 2dng n ASP 56 Ca 0.02 1.54 -0.14 0.00 0.52 0.00 0.00 54.79 56.73 2dng n ASP 56 Cb 0.35 -0.45 -0.08 0.00 -0.72 0.00 0.00 41.12 40.22 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2dng h ILE 57 N 0.00 0.81 -1.37 5.18 1.08 -1.15 -2.16 117.51 119.90 2dng h ILE 57 Ca 0.41 -0.39 0.41 0.00 -0.39 0.00 0.00 64.86 64.90 2dng h ILE 57 Cb 0.63 1.04 -0.09 0.00 -3.07 0.00 0.00 36.82 35.33 2dng h ILE 57 CO -0.91 0.09 0.94 0.44 -0.69 0.00 0.00 178.15 178.01 2dng h ASP 58 N -0.53 0.15 0.05 1.72 5.19 0.12 0.31 116.42 123.43 2dng h ASP 58 Ca -0.03 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 2dng h ASP 58 Cb 0.39 0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.96 2dng h ASP 58 CO 0.06 -0.04 -0.47 0.00 -3.12 0.00 0.00 179.24 175.67 2dng h ALA 59 N 1.42 -0.02 0.05 3.45 0.00 -0.92 -0.97 119.26 122.28 2dng h ALA 59 Ca 0.73 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dng h ALA 59 Cb 2.55 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.35 2dng h ALA 59 CO -0.19 0.22 -0.25 0.82 0.00 0.00 0.00 179.25 179.85 2dng h ILE 60 N -0.50 0.44 -0.89 0.00 2.04 0.19 -2.44 117.51 116.35 2dng h ILE 60 Ca -0.07 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.29 2dng h ILE 60 Cb 1.30 0.44 -0.28 0.00 -0.74 0.00 0.00 36.82 37.54 2dng h ILE 60 CO 0.09 0.00 0.54 0.49 0.00 0.00 0.00 178.15 179.27 2dng n PHE 61 N -5.37 2.78 -0.16 1.37 3.72 -0.37 -4.61 117.46 114.82 2dng n PHE 61 Ca -0.06 -2.01 0.07 0.00 -0.05 0.00 0.00 57.45 55.40 2dng n PHE 61 Cb 0.28 -0.95 0.37 0.00 -0.94 0.00 0.00 39.48 38.24 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 1.19 0.70 -0.75 -1.08 2.10 -0.65 -1.64 116.57 116.44 2dng h LYS 62 Ca 0.56 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 59.14 2dng h LYS 62 Cb 2.32 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 33.46 2dng h LYS 62 CO 1.07 0.46 0.34 0.22 -2.00 0.00 0.00 179.45 179.53 2dng h ASP 63 N 0.72 1.00 -3.84 7.07 1.82 -1.82 -3.44 116.42 117.93 2dng h ASP 63 Ca 0.30 -0.15 -0.43 0.00 -0.39 0.00 0.00 57.03 56.35 2dng h ASP 63 Cb 0.25 -0.26 0.18 0.00 0.68 0.00 0.00 39.33 40.18 2dng h ASP 63 CO -0.10 0.87 0.34 -0.76 -1.61 0.00 0.00 179.24 177.98 2dng s LEU 64 N -9.79 2.09 -0.64 2.28 1.43 -0.62 -5.00 118.68 108.42 2dng s LEU 64 Ca -0.13 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2dng s LEU 64 Cb 0.15 -2.28 0.14 0.00 0.03 0.00 0.00 46.19 44.23 2dng s LEU 64 CO 0.82 -3.21 0.66 -0.44 0.23 0.00 0.00 176.35 174.42 2dng s SER 65 N -4.61 6.34 -0.22 2.29 0.01 -1.26 -5.02 113.70 111.23 2dng s SER 65 Ca 0.74 -1.88 -0.19 0.00 1.31 0.00 0.00 55.95 55.92 2dng s SER 65 Cb -0.05 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2dng s SER 65 CO 0.54 -0.89 0.56 -0.63 0.41 0.00 0.00 173.24 173.22 2dng s ILE 66 N 1.71 5.06 -0.13 1.44 1.01 -1.26 -2.83 121.20 126.20 2dng s ILE 66 Ca 0.11 1.01 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 2dng s ILE 66 Cb -0.22 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2dng s ILE 66 CO 0.01 0.12 -0.19 -1.14 0.00 0.00 0.00 174.94 173.74 2dng n ARG 67 N 5.17 0.42 -3.73 2.79 0.63 -0.34 -4.97 116.66 116.63 2dng n ARG 67 Ca -0.03 0.45 -0.12 0.00 -0.92 0.00 0.00 57.85 57.22 2dng n ARG 67 Cb 0.50 -1.56 -0.13 0.00 0.45 0.00 0.00 32.46 31.72 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 -5.55 -0.29 -0.28 6.15 1.04 -1.22 -5.02 113.70 108.53 2dng s SER 68 Ca -0.16 0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.77 2dng s SER 68 Cb 0.02 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dng s SER 68 CO 0.23 -0.16 0.06 -0.69 0.98 0.00 0.00 173.24 173.66 2dng s VAL 69 N 1.09 3.93 -0.40 5.02 1.01 -1.26 -0.82 120.40 128.96 2dng s VAL 69 Ca -0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 2dng s VAL 69 Cb -0.09 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2dng s VAL 69 CO -0.07 0.17 0.26 -0.60 0.00 0.00 0.00 175.10 174.86 2dng s ARG 70 N 1.51 2.83 -0.32 2.72 3.52 -0.34 -4.98 118.95 123.89 2dng s ARG 70 Ca 0.04 -1.18 -0.22 0.00 -0.13 0.00 0.00 55.73 54.24 2dng s ARG 70 Cb -0.16 -3.85 -0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2dng s ARG 70 CO 0.02 -0.81 0.71 -0.51 -0.81 0.00 0.00 175.30 173.90 2dng s LEU 71 N 1.57 4.13 0.32 -0.88 1.43 -1.26 -1.55 118.68 122.44 2dng s LEU 71 Ca 0.03 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 2dng s LEU 71 Cb -0.21 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 2dng s LEU 71 CO 0.07 -0.58 1.37 -0.69 0.23 0.00 0.00 176.35 176.75 2dng s VAL 72 N 2.82 2.58 0.27 -1.59 1.01 -1.21 -5.02 120.40 119.26 2dng s VAL 72 Ca 0.29 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 2dng s VAL 72 Cb -0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2dng s VAL 72 CO 0.13 0.12 0.33 -0.13 0.00 0.00 0.00 175.10 175.55 2dng s ARG 73 N -1.52 1.56 0.69 2.72 0.52 -1.26 -3.09 118.95 118.56 2dng s ARG 73 Ca 0.52 -1.64 -0.06 0.00 -0.52 0.00 0.00 55.73 54.03 2dng s ARG 73 Cb -0.41 0.37 0.15 0.00 0.52 0.00 0.00 34.95 35.57 2dng s ARG 73 CO 0.53 -0.60 0.94 -3.47 0.02 0.00 0.00 175.30 172.72 2dng n ASP 74 N -0.80 0.65 -0.03 0.23 2.03 -1.21 -4.96 116.55 112.46 2dng n ASP 74 Ca 0.02 -1.69 0.01 0.00 0.52 0.00 0.00 54.79 53.65 2dng n ASP 74 Cb 0.63 -0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.04 -0.01 -0.67 5.02 -1.26 -4.05 118.16 115.36 2dng n LYS 75 Ca 0.14 -0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 2dng n LYS 75 Cb 0.48 -1.32 -0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2dng n LYS 75 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dng n ASP 76 N -2.17 0.32 -0.09 4.39 2.03 -1.26 -4.65 116.55 115.12 2dng n ASP 76 Ca -0.10 0.25 -0.14 0.00 0.52 0.00 0.00 54.79 55.33 2dng n ASP 76 Cb 0.58 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2dng h THR 77 N -0.17 1.30 -2.76 5.18 1.35 -2.01 -3.47 112.91 112.32 2dng h THR 77 Ca 0.00 -1.51 -0.14 0.00 -0.55 0.00 0.00 66.41 64.21 2dng h THR 77 Cb 0.11 1.61 0.05 0.00 -1.73 0.00 0.00 68.15 68.19 2dng h THR 77 CO 0.00 0.48 -0.25 -0.67 -0.25 0.00 0.00 175.52 174.84 2dng n ASP 78 N -4.22 -3.56 -4.74 5.36 2.03 -1.26 -5.00 116.55 105.16 2dng n ASP 78 Ca -0.04 -0.20 -0.24 0.00 0.52 0.00 0.00 54.79 54.83 2dng n ASP 78 Cb 0.50 -2.14 -0.07 0.00 -0.72 0.00 0.00 41.12 38.69 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 -5.46 2.24 0.24 -0.67 -0.14 -1.26 -4.78 119.74 109.91 2dng s LYS 79 Ca 0.21 -1.81 -0.31 0.00 -1.36 0.00 0.00 55.97 52.70 2dng s LYS 79 Cb -0.09 -2.01 -0.11 0.00 -1.68 0.00 0.00 37.83 33.94 2dng s LYS 79 CO 0.26 -0.10 1.61 0.12 -0.76 0.00 0.00 175.35 176.48 2dng s PHE 80 N -2.58 2.89 -0.17 3.18 5.36 -1.26 -3.35 117.98 122.05 2dng s PHE 80 Ca 0.41 0.65 -0.22 0.00 -0.96 0.00 0.00 56.93 56.81 2dng s PHE 80 Cb 0.03 -4.03 -0.20 0.00 -0.34 0.00 0.00 43.02 38.48 2dng s PHE 80 CO 0.23 -3.66 0.40 0.87 -1.46 0.00 0.00 175.22 171.60 2dng h LYS 81 N 5.80 0.00 0.00 10.12 1.57 -1.91 -3.49 116.57 128.67 2dng h LYS 81 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2dng h LYS 81 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2dng h LYS 81 CO 0.86 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 181.02 2dng n GLY 82 N 1.54 1.26 3.59 3.86 0.00 -1.26 -5.11 105.19 109.07 2dng n GLY 82 Ca -0.19 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 2.49 -0.06 1.61 -0.71 -1.26 -3.29 117.98 116.75 2dng s PHE 83 Ca 0.00 -0.43 -0.29 0.00 -1.04 0.00 0.00 56.93 55.18 2dng s PHE 83 Cb 0.00 -1.38 0.06 0.00 -1.21 0.00 0.00 43.02 40.49 2dng s PHE 83 CO 0.00 0.54 0.64 0.00 -1.34 0.00 0.00 175.22 175.06 2dng s TYR 85 N -1.10 3.26 -0.26 0.00 2.02 -0.60 -1.88 117.35 118.80 2dng s TYR 85 Ca -0.11 0.26 -0.08 0.00 -0.37 0.00 0.00 57.07 56.78 2dng s TYR 85 Cb -0.01 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 2dng s TYR 85 CO 0.09 -0.13 0.10 0.08 -1.57 0.00 0.00 175.55 174.12 2dng s VAL 86 N 1.68 4.53 -0.00 0.71 1.01 -0.37 -1.20 120.40 126.76 2dng s VAL 86 Ca 0.10 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 2dng s VAL 86 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 2dng s VAL 86 CO 0.09 0.30 0.66 -0.70 0.00 0.00 0.00 175.10 175.46 2dng s GLU 87 N 1.64 4.40 0.46 2.72 2.12 -0.00 -1.65 118.70 128.39 2dng s GLU 87 Ca 0.06 0.86 0.06 0.00 0.36 0.00 0.00 54.97 56.31 2dng s GLU 87 Cb -0.15 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 2dng s GLU 87 CO 0.05 0.28 0.27 -0.06 -0.54 0.00 0.00 175.26 175.27 2dng s PHE 88 N 0.05 2.26 -0.02 5.30 0.40 -0.49 -1.19 117.98 124.28 2dng s PHE 88 Ca 0.34 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2dng s PHE 88 Cb -0.19 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2dng s PHE 88 CO 0.19 -0.07 -0.03 -0.25 0.70 0.00 0.00 175.22 175.75 2dng n ASP 89 N -1.46 0.22 -4.90 1.36 8.00 -1.13 -4.20 116.55 114.44 2dng n ASP 89 Ca -0.02 0.11 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 2dng n ASP 89 Cb 0.64 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 2dng n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dng s GLU 90 N -1.19 3.67 0.46 -1.24 8.01 -1.26 -4.69 118.70 122.46 2dng s GLU 90 Ca -0.03 0.07 0.16 0.00 0.01 0.00 0.00 54.97 55.18 2dng s GLU 90 Cb 0.00 -2.65 1.08 0.00 -4.31 0.00 0.00 34.13 28.25 2dng s GLU 90 CO 0.04 0.24 2.01 -0.24 0.01 0.00 0.00 175.26 177.33 2dng h VAL 91 N 1.53 1.06 -0.57 2.63 3.04 -1.98 -2.73 116.25 119.23 2dng h VAL 91 Ca -0.47 -0.58 0.07 0.00 -1.01 0.00 0.00 66.70 64.71 2dng h VAL 91 Cb 1.18 1.32 -0.06 0.00 -2.01 0.00 0.00 31.29 31.72 2dng h VAL 91 CO 0.67 0.16 0.26 -2.24 -1.01 0.00 0.00 177.57 175.41 2dng h ASP 92 N 0.00 0.32 0.28 3.17 3.04 -1.98 -1.20 116.42 120.05 2dng h ASP 92 Ca -0.00 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2dng h ASP 92 Cb 0.30 -0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.55 2dng h ASP 92 CO 0.02 0.21 -0.52 0.28 -2.04 0.00 0.00 179.24 177.20 2dng h SER 93 N 0.48 -1.50 0.17 4.15 0.02 -1.89 -0.67 113.55 114.31 2dng h SER 93 Ca 0.27 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 2dng h SER 93 Cb 0.25 0.53 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 2dng h SER 93 CO -0.22 -0.60 -0.39 0.25 -1.14 0.00 0.00 176.83 174.73 2dng h LEU 94 N -0.86 -1.11 -1.78 5.07 5.85 -1.60 0.13 115.31 121.01 2dng h LEU 94 Ca -0.03 0.12 0.34 0.00 0.84 0.00 0.00 57.88 59.15 2dng h LEU 94 Cb 0.81 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2dng h LEU 94 CO -0.20 -0.48 0.82 0.50 -0.34 0.00 0.00 178.44 178.75 2dng h LYS 95 N -0.65 0.11 0.02 1.25 3.64 -1.05 0.51 116.57 120.41 2dng h LYS 95 Ca 0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2dng h LYS 95 Cb 0.66 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2dng h LYS 95 CO -0.20 0.07 -0.17 1.49 -2.27 0.00 0.00 179.45 178.38 2dng h GLU 96 N 0.12 0.07 -0.91 1.90 4.57 0.43 -3.31 114.58 117.45 2dng h GLU 96 Ca 0.60 -0.11 0.19 0.00 -1.18 0.00 0.00 59.36 58.86 2dng h GLU 96 Cb 2.13 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 30.68 2dng h GLU 96 CO -0.12 0.99 0.59 0.00 -1.18 0.00 0.00 179.01 179.30 2dng h ALA 97 N 0.09 2.05 -0.21 2.92 0.00 0.13 0.21 119.26 124.45 2dng h ALA 97 Ca -0.03 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2dng h ALA 97 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2dng h ALA 97 CO 0.03 -0.33 0.42 -0.07 0.00 0.00 0.00 179.25 179.30 2dng h LEU 98 N 0.52 0.00 -0.10 0.00 3.38 -1.30 0.30 115.31 118.12 2dng h LEU 98 Ca 0.48 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.21 2dng h LEU 98 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dng h LEU 98 CO -0.21 0.00 -1.03 0.71 0.09 0.00 0.00 178.44 178.00 2dng h THR 99 N 0.00 1.43 0.00 0.22 1.35 -0.75 -3.16 112.91 112.00 2dng h THR 99 Ca 0.10 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 2dng h THR 99 Cb 0.94 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2dng h THR 99 CO -0.00 0.78 0.32 1.88 -0.25 0.00 0.00 175.52 178.25 2dng h TYR 100 N 0.18 0.00 -0.64 4.73 -1.99 -0.48 -3.38 116.97 115.39 2dng h TYR 100 Ca -0.09 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.41 2dng h TYR 100 Cb 1.69 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.38 2dng h TYR 100 CO 0.06 0.00 0.57 0.34 -0.00 0.00 0.00 178.16 179.13 2dng s ASP 101 N -3.78 4.85 0.00 3.88 -1.08 -1.20 -2.07 116.67 117.28 2dng s ASP 101 Ca -0.02 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 2dng s ASP 101 Cb 0.05 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2dng s ASP 101 CO 0.17 -3.01 0.00 0.61 0.52 0.00 0.00 175.17 173.46 2dng n GLY 102 N 6.83 0.53 3.95 2.66 0.00 -1.26 -4.96 105.19 112.95 2dng n GLY 102 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 2.95 -0.12 4.61 0.00 -0.88 -4.92 121.76 123.40 2dng s ALA 103 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2dng s ALA 103 Cb 0.00 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 2dng s ALA 103 CO 0.00 -1.78 -0.08 -0.51 0.00 0.00 0.00 175.76 173.39 2dng s LEU 104 N -5.47 3.01 -0.65 0.00 1.43 -1.26 -2.31 118.68 113.43 2dng s LEU 104 Ca 0.67 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 2dng s LEU 104 Cb -0.07 -1.69 0.17 0.00 0.03 0.00 0.00 46.19 44.63 2dng s LEU 104 CO 0.48 0.21 0.55 -0.22 0.23 0.00 0.00 176.35 177.60 2dng s LEU 105 N 0.08 6.07 0.00 1.79 2.96 0.21 -4.91 118.68 124.87 2dng s LEU 105 Ca -0.03 -2.42 0.00 0.00 -0.22 0.00 0.00 54.13 51.46 2dng s LEU 105 Cb -0.14 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2dng s LEU 105 CO 0.04 -0.59 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 2dng n GLY 106 N 4.26 2.93 1.80 7.98 0.00 -1.26 -1.48 105.19 119.42 2dng n GLY 106 Ca 0.03 0.13 0.01 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 10.04 4.88 -2.86 1.61 8.00 -1.26 -4.94 116.55 132.02 2dng n ASP 107 Ca 0.00 -2.94 -0.14 0.00 0.71 0.00 0.00 54.79 52.42 2dng n ASP 107 Cb 0.00 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dng n ARG 108 N 0.24 0.65 -3.37 -1.24 1.74 -0.55 -5.15 116.66 108.99 2dng n ARG 108 Ca 0.30 -2.61 -0.22 0.00 -0.77 0.00 0.00 57.85 54.56 2dng n ARG 108 Cb 1.18 2.51 0.02 0.00 -1.02 0.00 0.00 32.46 35.15 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 -3.02 5.00 0.02 0.55 0.01 -1.26 0.63 113.70 115.62 2dng s SER 109 Ca 0.27 -0.92 0.08 0.00 1.31 0.00 0.00 55.95 56.69 2dng s SER 109 Cb -0.01 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 2dng s SER 109 CO 0.19 -1.13 -0.23 -0.76 0.41 0.00 0.00 173.24 171.72 2dng s LEU 110 N -4.45 2.29 -0.28 2.44 1.43 -0.98 -4.35 118.68 114.79 2dng s LEU 110 Ca 0.51 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2dng s LEU 110 Cb -0.05 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 44.88 2dng s LEU 110 CO 0.31 0.29 0.10 -0.60 0.23 0.00 0.00 176.35 176.68 2dng s ARG 111 N -1.05 0.56 -0.12 1.70 6.06 -1.17 -4.04 118.95 120.89 2dng s ARG 111 Ca 0.12 -0.82 0.00 0.00 -2.50 0.00 0.00 55.73 52.53 2dng s ARG 111 Cb -0.10 -1.79 -0.02 0.00 0.06 0.00 0.00 34.95 33.10 2dng s ARG 111 CO 0.02 -0.93 -0.13 0.08 -2.50 0.00 0.00 175.30 171.83 2dng s VAL 112 N 1.79 3.09 -0.01 7.11 1.01 -1.26 -1.31 120.40 130.81 2dng s VAL 112 Ca 0.08 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 2dng s VAL 112 Cb -0.17 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 33.97 2dng s VAL 112 CO -0.25 0.53 0.52 -0.62 0.00 0.00 0.00 175.10 175.27 2dng s ASP 113 N 0.24 -0.45 0.32 3.32 2.15 -0.60 -4.74 116.67 116.92 2dng s ASP 113 Ca -0.09 0.37 -0.29 0.00 0.43 0.00 0.00 52.55 52.97 2dng s ASP 113 Cb -0.15 0.45 -0.10 0.00 -0.30 0.00 0.00 42.92 42.82 2dng s ASP 113 CO 0.05 -0.59 1.32 -0.63 -0.17 0.00 0.00 175.17 175.16 2dng s ILE 114 N -1.57 2.71 -0.02 4.11 1.01 -1.26 -0.66 121.20 125.52 2dng s ILE 114 Ca -0.10 0.70 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 2dng s ILE 114 Cb -0.02 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2dng s ILE 114 CO 0.05 0.16 0.29 0.00 0.00 0.00 0.00 174.94 175.44 2dng s ALA 115 N -1.00 3.80 0.27 9.38 0.00 -1.23 -4.76 121.76 128.22 2dng s ALA 115 Ca 0.50 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2dng s ALA 115 Cb -0.40 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 2dng s ALA 115 CO 0.52 0.59 -0.01 -2.00 0.00 0.00 0.00 175.76 174.86 2dng s GLU 116 N -1.44 1.50 0.00 0.00 2.12 -1.26 -4.95 118.70 114.67 2dng s GLU 116 Ca 0.24 -1.78 0.00 0.00 0.36 0.00 0.00 54.97 53.80 2dng s GLU 116 Cb -0.14 -0.90 0.00 0.00 0.26 0.00 0.00 34.13 33.36 2dng s GLU 116 CO 0.13 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 2dng n GLY 117 N -0.55 -0.81 2.21 -1.50 0.00 -1.26 -4.99 105.19 98.28 2dng n GLY 117 Ca -0.05 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2dng n GLY 117 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dng n ARG 118 N -0.20 3.21 -1.22 1.61 0.00 -1.26 -4.83 116.66 113.97 2dng n ARG 118 Ca 0.00 -3.82 -0.20 0.00 -0.00 0.00 0.00 57.85 53.83 2dng n ARG 118 Cb 0.00 -2.28 -0.12 0.00 -0.00 0.00 0.00 32.46 30.06 2dng n ARG 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2dng n LYS 119 N -0.77 2.39 -3.93 2.89 3.00 -1.26 -4.83 118.16 115.65 2dng n LYS 119 Ca 0.52 -1.62 -0.10 0.00 -0.00 0.00 0.00 58.31 57.11 2dng n LYS 119 Cb 0.80 -2.14 -0.02 0.00 0.00 0.00 0.00 35.03 33.67 2dng n LYS 119 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2dng s GLN 120 N 0.20 1.93 0.42 1.64 -1.52 -1.26 -5.19 119.66 115.88 2dng s GLN 120 Ca 0.64 -1.41 0.07 0.00 -1.95 0.00 0.00 55.36 52.71 2dng s GLN 120 Cb 0.32 0.54 -0.06 0.00 -0.22 0.00 0.00 33.01 33.59 2dng s GLN 120 CO -0.08 -0.86 0.10 0.16 -0.25 0.00 0.00 175.29 174.37 2dng s ASP 121 N -3.08 4.18 -0.03 5.90 -4.77 -1.26 -5.15 116.67 112.46 2dng s ASP 121 Ca 0.20 -1.24 0.01 0.00 -3.30 0.00 0.00 52.55 48.23 2dng s ASP 121 Cb -0.03 -0.38 0.02 0.00 -1.09 0.00 0.00 42.92 41.44 2dng s ASP 121 CO 0.13 -0.53 -0.03 -1.59 0.70 0.00 0.00 175.17 173.85 2dng s LYS 122 N -3.83 0.53 0.76 2.11 -2.85 -1.26 -5.15 119.74 110.06 2dng s LYS 122 Ca 0.37 -0.05 -0.11 0.00 -1.00 0.00 0.00 55.97 55.17 2dng s LYS 122 Cb 0.06 -0.60 0.05 0.00 -2.06 0.00 0.00 37.83 35.29 2dng s LYS 122 CO 0.20 -0.06 1.10 0.45 0.10 0.00 0.00 175.35 177.14 2dng s SER 123 N 0.73 4.46 0.54 0.03 0.15 -1.26 -4.97 113.70 113.38 2dng s SER 123 Ca -0.08 1.90 -0.22 0.00 0.70 0.00 0.00 55.95 58.25 2dng s SER 123 Cb -0.12 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2dng s SER 123 CO -0.01 -2.07 1.33 -0.83 1.20 0.00 0.00 173.24 172.87 2dng s GLY 124 N -3.14 2.87 0.31 9.45 0.00 -1.26 -4.97 107.32 110.57 2dng s GLY 124 Ca 0.63 1.28 -0.28 0.00 0.00 0.00 0.00 44.72 46.35 2dng s GLY 124 CO 0.53 1.79 1.03 2.56 0.00 0.00 0.00 173.10 179.01 2dng s PRO 125 N -2.90 4.56 0.22 2.90 0.04 -1.26 -4.96 135.00 133.60 2dng s PRO 125 Ca 0.71 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 63.28 2dng s PRO 125 Cb -0.39 -3.00 0.22 0.00 0.04 0.00 0.00 34.50 31.37 2dng s PRO 125 CO 0.46 0.20 1.87 1.03 0.04 0.00 0.00 177.00 180.60 2dng h SER 126 N 3.49 0.88 -3.63 6.66 0.87 -2.06 -3.41 113.55 116.34 2dng h SER 126 Ca -0.47 -0.01 -0.51 0.00 -1.23 0.00 0.00 61.79 59.57 2dng h SER 126 Cb 1.21 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2dng h SER 126 CO 0.66 0.61 0.08 -0.44 -0.53 0.00 0.00 176.83 177.21 2dng s SER 127 N -5.86 6.89 0.00 6.23 0.01 -1.26 -5.35 113.70 114.35 2dng s SER 127 Ca -0.13 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2dng s SER 127 Cb 0.16 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2dng s SER 127 CO 0.79 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.96