#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgf s LYS 3 N 0.00 2.70 -0.06 -1.46 -0.14 -1.26 -4.72 119.74 114.79 3dgf s LYS 3 Ca 0.00 2.07 0.05 0.00 -1.36 0.00 0.00 55.97 56.73 3dgf s LYS 3 Cb 0.00 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.21 3dgf s LYS 3 CO 0.00 -1.49 -0.21 0.15 -0.76 0.00 0.00 175.35 173.04 3dgf s LYS 4 N -3.29 2.56 -0.10 1.68 1.02 -1.26 -1.57 119.74 118.77 3dgf s LYS 4 Ca 0.80 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 56.00 3dgf s LYS 4 Cb -0.37 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3dgf s LYS 4 CO 0.40 0.45 -0.23 0.08 -0.92 0.00 0.00 175.35 175.14 3dgf s VAL 5 N -0.32 2.19 -0.34 3.17 1.01 0.97 -0.81 120.40 126.27 3dgf s VAL 5 Ca 0.02 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3dgf s VAL 5 Cb -0.13 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3dgf s VAL 5 CO 0.02 0.56 0.60 -0.22 0.00 0.00 0.00 175.10 176.06 3dgf s LEU 6 N 0.31 4.26 -0.30 3.92 2.96 -0.09 -0.42 118.68 129.32 3dgf s LEU 6 Ca -0.17 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3dgf s LEU 6 Cb -0.18 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 3dgf s LEU 6 CO 0.08 -0.54 0.17 -0.22 -1.32 0.00 0.00 176.35 174.53 3dgf s LEU 7 N 2.60 4.12 -0.35 -0.68 0.20 0.15 -1.13 118.68 123.59 3dgf s LEU 7 Ca 0.23 -0.35 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 3dgf s LEU 7 Cb -0.15 -2.05 0.07 0.00 -0.43 0.00 0.00 46.19 43.63 3dgf s LEU 7 CO 0.14 -0.16 0.11 -0.69 -0.29 0.00 0.00 176.35 175.46 3dgf s VAL 8 N 1.67 3.33 -0.22 1.68 1.01 0.16 -0.86 120.40 127.17 3dgf s VAL 8 Ca 0.06 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.37 3dgf s VAL 8 Cb -0.17 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.25 3dgf s VAL 8 CO 0.08 -0.35 0.52 -0.62 0.00 0.00 0.00 175.10 174.74 3dgf s ASP 9 N 1.54 -0.67 0.22 3.32 -1.08 -0.62 -1.41 116.67 117.96 3dgf s ASP 9 Ca 0.01 1.18 0.23 0.00 -0.52 0.00 0.00 52.55 53.45 3dgf s ASP 9 Cb -0.21 1.24 0.14 0.00 -1.46 0.00 0.00 42.92 42.64 3dgf s ASP 9 CO -0.01 -0.22 1.21 -0.78 0.52 0.00 0.00 175.17 175.89 3dgf h ASP 10 N 7.38 0.00 -3.56 -0.34 3.58 -1.81 -3.39 116.42 118.29 3dgf h ASP 10 Ca -0.29 -0.05 -0.58 0.00 0.42 0.00 0.00 57.03 56.53 3dgf h ASP 10 Cb 1.17 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.13 3dgf h ASP 10 CO 0.20 0.02 0.77 -0.55 -2.88 0.00 0.00 179.24 176.80 3dgf s SER 11 N -5.23 6.52 0.42 2.28 0.15 -1.26 -4.90 113.70 111.68 3dgf s SER 11 Ca 0.02 0.19 0.16 0.00 0.70 0.00 0.00 55.95 57.02 3dgf s SER 11 Cb 0.10 -2.50 0.93 0.00 -1.71 0.00 0.00 66.02 62.84 3dgf s SER 11 CO 0.75 -1.21 1.91 0.00 1.20 0.00 0.00 173.24 175.90 3dgf h ALA 12 N 9.24 1.44 -0.03 5.45 0.00 -1.98 -0.22 119.26 133.15 3dgf h ALA 12 Ca -0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3dgf h ALA 12 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dgf h ALA 12 CO 1.10 0.34 -0.10 0.28 0.00 0.00 0.00 179.25 180.86 3dgf h VAL 13 N 0.00 1.46 -0.29 0.00 2.07 -1.98 -1.47 116.25 116.04 3dgf h VAL 13 Ca -0.00 -1.51 -0.16 0.00 0.82 0.00 0.00 66.70 65.85 3dgf h VAL 13 Cb 0.51 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3dgf h VAL 13 CO 0.04 0.41 -0.46 0.25 0.02 0.00 0.00 177.57 177.83 3dgf h LEU 14 N -0.43 0.83 -0.37 2.57 5.85 -1.97 -2.97 115.31 118.82 3dgf h LEU 14 Ca -0.00 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3dgf h LEU 14 Cb 0.72 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3dgf h LEU 14 CO 0.02 1.16 0.07 -0.09 -0.34 0.00 0.00 178.44 179.26 3dgf h ARG 15 N 0.61 0.19 -0.72 1.25 2.43 -1.03 -0.78 114.38 116.32 3dgf h ARG 15 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3dgf h ARG 15 Cb 1.02 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 3dgf h ARG 15 CO 0.10 0.13 0.41 0.87 -1.51 0.00 0.00 179.97 179.96 3dgf h LYS 16 N 0.20 0.99 -0.08 0.20 1.57 -1.24 -0.06 116.57 118.16 3dgf h LYS 16 Ca 0.17 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3dgf h LYS 16 Cb 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3dgf h LYS 16 CO -0.23 0.72 0.02 0.82 -0.57 0.00 0.00 179.45 180.21 3dgf h ILE 17 N 1.01 1.21 -0.25 1.86 2.04 -1.24 -1.82 117.51 120.32 3dgf h ILE 17 Ca 0.26 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3dgf h ILE 17 Cb 0.00 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3dgf h ILE 17 CO -0.04 0.18 0.01 0.58 0.00 0.00 0.00 178.15 178.88 3dgf h VAL 18 N -0.10 1.25 -0.18 1.67 2.07 -0.89 -2.34 116.25 117.72 3dgf h VAL 18 Ca 0.02 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3dgf h VAL 18 Cb 0.27 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3dgf h VAL 18 CO 0.00 0.27 -0.14 -1.28 0.02 0.00 0.00 177.57 176.44 3dgf h SER 19 N 0.21 -0.44 -0.26 0.57 0.87 -1.04 -0.66 113.55 112.79 3dgf h SER 19 Ca 0.07 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3dgf h SER 19 Cb 0.39 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 3dgf h SER 19 CO 0.01 -0.18 -0.12 0.15 -0.53 0.00 0.00 176.83 176.16 3dgf h PHE 20 N -0.14 -0.29 -0.42 2.24 3.57 -1.23 -0.82 116.94 119.84 3dgf h PHE 20 Ca 0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3dgf h PHE 20 Cb 0.31 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3dgf h PHE 20 CO -0.28 -0.19 0.09 -0.91 -2.23 0.00 0.00 178.31 174.80 3dgf h ASN 21 N -0.08 0.58 0.03 0.41 2.35 -1.12 0.28 115.58 118.03 3dgf h ASN 21 Ca 0.14 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3dgf h ASN 21 Cb 0.29 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3dgf h ASN 21 CO -0.32 0.59 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.96 3dgf h LEU 22 N 0.61 -0.04 -1.27 1.61 3.38 -0.70 -2.91 115.31 116.00 3dgf h LEU 22 Ca 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dgf h LEU 22 Cb 0.25 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3dgf h LEU 22 CO -0.00 0.23 0.45 0.11 0.09 0.00 0.00 178.44 179.32 3dgf h LYS 23 N -0.31 0.95 -0.52 1.13 1.57 -0.76 -1.93 116.57 116.70 3dgf h LYS 23 Ca -0.00 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3dgf h LYS 23 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3dgf h LYS 23 CO 0.01 0.64 0.34 -0.22 -0.57 0.00 0.00 179.45 179.65 3dgf h LYS 24 N 0.97 0.66 -0.02 3.15 3.64 -0.91 -1.40 116.57 122.65 3dgf h LYS 24 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3dgf h LYS 24 Cb -0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3dgf h LYS 24 CO -0.05 0.43 0.00 0.39 -2.27 0.00 0.00 179.45 177.95 3dgf n GLU 25 N -4.46 1.17 -0.55 1.90 -0.58 -0.77 -4.91 120.64 112.43 3dgf n GLU 25 Ca 0.05 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 3dgf n GLU 25 Cb 0.07 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3dgf n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dgf n GLY 26 N 0.99 0.67 3.89 0.62 0.00 -0.53 -5.09 105.19 105.73 3dgf n GLY 26 Ca 0.20 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3dgf n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dgf s TYR 27 N -2.00 3.45 0.07 1.61 1.51 -0.93 -4.65 117.35 116.41 3dgf s TYR 27 Ca 0.00 0.72 -0.25 0.00 -1.01 0.00 0.00 57.07 56.53 3dgf s TYR 27 Cb 0.00 -2.14 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 3dgf s TYR 27 CO 0.00 0.34 0.77 -1.21 -1.11 0.00 0.00 175.55 174.33 3dgf s GLU 28 N -2.78 4.50 -0.18 -0.62 2.02 -0.61 -4.11 118.70 116.92 3dgf s GLU 28 Ca 0.44 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.51 3dgf s GLU 28 Cb -0.12 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.78 3dgf s GLU 28 CO 0.23 0.34 -0.14 0.08 0.02 0.00 0.00 175.26 175.80 3dgf s VAL 29 N -0.28 2.70 -0.22 2.63 1.01 -1.26 -0.02 120.40 124.96 3dgf s VAL 29 Ca 0.38 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3dgf s VAL 29 Cb -0.21 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3dgf s VAL 29 CO 0.24 0.50 0.00 -0.63 0.00 0.00 0.00 175.10 175.21 3dgf s ILE 30 N 1.11 3.86 0.04 2.22 1.09 0.44 -4.96 121.20 125.00 3dgf s ILE 30 Ca 0.00 -0.33 -0.00 0.00 -1.10 0.00 0.00 60.65 59.22 3dgf s ILE 30 Cb -0.14 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 3dgf s ILE 30 CO -0.04 0.41 0.18 -1.61 -0.10 0.00 0.00 174.94 173.77 3dgf s GLU 31 N 1.27 3.35 -0.08 2.79 2.02 -1.26 0.34 118.70 127.13 3dgf s GLU 31 Ca 0.04 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 3dgf s GLU 31 Cb -0.15 -3.01 0.04 0.00 0.10 0.00 0.00 34.13 31.12 3dgf s GLU 31 CO 0.01 0.63 0.16 0.00 0.02 0.00 0.00 175.26 176.07 3dgf s ALA 32 N -1.42 -0.24 -0.34 5.21 0.00 -0.04 -4.91 121.76 120.02 3dgf s ALA 32 Ca 0.31 0.65 0.27 0.00 0.00 0.00 0.00 51.96 53.19 3dgf s ALA 32 Cb -0.13 -0.64 0.84 0.00 0.00 0.00 0.00 23.12 23.19 3dgf s ALA 32 CO 0.24 -0.35 1.77 0.93 0.00 0.00 0.00 175.76 178.34 3dgf h GLU 33 N 7.77 0.00 -3.24 0.00 3.07 -1.85 -1.66 114.58 118.67 3dgf h GLU 33 Ca -0.29 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3dgf h GLU 33 Cb 1.13 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.98 3dgf h GLU 33 CO 0.29 0.00 0.11 0.54 -1.40 0.00 0.00 179.01 178.55 3dgf s ASN 34 N -5.45 -0.13 0.37 1.42 2.20 -1.26 -3.18 114.94 108.91 3dgf s ASN 34 Ca 0.05 -0.80 0.06 0.00 -0.94 0.00 0.00 52.86 51.23 3dgf s ASN 34 Cb 0.08 0.70 0.71 0.00 -2.00 0.00 0.00 41.25 40.74 3dgf s ASN 34 CO 0.58 -1.32 1.95 1.23 -2.94 0.00 0.00 177.10 176.59 3dgf h GLY 35 N 2.08 0.55 0.79 0.45 0.00 -1.91 -1.53 103.07 103.51 3dgf h GLY 35 Ca -0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3dgf h GLY 35 CO 0.29 0.26 0.02 -1.61 0.00 0.00 0.00 176.54 175.50 3dgf h GLN 36 N 0.51 0.19 -0.86 4.80 4.15 -1.97 -1.44 115.11 120.49 3dgf h GLN 36 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3dgf h GLN 36 Cb 0.18 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 3dgf h GLN 36 CO -0.01 0.40 0.55 0.82 -1.93 0.00 0.00 178.83 178.66 3dgf h ILE 37 N -0.05 1.23 -0.18 2.39 2.04 -1.94 -2.36 117.51 118.64 3dgf h ILE 37 Ca 0.03 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3dgf h ILE 37 Cb 0.30 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3dgf h ILE 37 CO 0.00 0.22 0.11 0.00 0.00 0.00 0.00 178.15 178.49 3dgf h ALA 38 N 1.30 0.23 -0.05 1.87 0.00 -0.99 -1.65 119.26 119.98 3dgf h ALA 38 Ca 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3dgf h ALA 38 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dgf h ALA 38 CO -0.06 -0.27 -0.25 -0.07 0.00 0.00 0.00 179.25 178.60 3dgf h LEU 39 N 0.23 0.08 -0.35 0.00 3.38 -1.16 -1.22 115.31 116.27 3dgf h LEU 39 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3dgf h LEU 39 Cb 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dgf h LEU 39 CO -0.01 0.34 0.03 -0.33 0.09 0.00 0.00 178.44 178.55 3dgf h GLU 40 N 0.08 0.59 -0.32 1.13 5.08 -1.02 -2.97 114.58 117.15 3dgf h GLU 40 Ca 0.01 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 3dgf h GLU 40 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3dgf h GLU 40 CO 0.03 0.69 -0.16 0.87 -1.00 0.00 0.00 179.01 179.45 3dgf h LYS 41 N 0.42 0.56 0.00 2.33 1.57 -0.79 -2.50 116.57 118.15 3dgf h LYS 41 Ca 0.10 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3dgf h LYS 41 Cb 0.41 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3dgf h LYS 41 CO 0.01 0.70 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.52 3dgf h LEU 42 N 0.51 0.00 -0.61 2.94 3.38 -1.12 -0.09 115.31 120.32 3dgf h LEU 42 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dgf h LEU 42 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dgf h LEU 42 CO 0.04 0.00 0.00 0.28 0.09 0.00 0.00 178.44 178.85 3dgf h SER 43 N 0.00 0.00 0.00 -0.43 0.02 -1.29 -3.28 113.55 108.56 3dgf h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dgf h SER 43 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3dgf h SER 43 CO 0.00 0.00 -1.48 -0.62 -1.14 0.00 0.00 176.83 173.59 3dgf n GLU 44 N -2.68 0.68 -3.78 3.45 1.02 -0.09 -5.06 120.64 114.18 3dgf n GLU 44 Ca 0.03 -0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 3dgf n GLU 44 Cb 0.36 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 3dgf n GLU 44 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3dgf s PHE 45 N -2.83 -0.06 -0.27 -0.32 -0.71 -0.93 -5.14 117.98 107.72 3dgf s PHE 45 Ca -0.04 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.59 3dgf s PHE 45 Cb 0.09 0.38 0.07 0.00 -1.21 0.00 0.00 43.02 42.35 3dgf s PHE 45 CO 0.54 -0.94 -0.07 0.99 -1.34 0.00 0.00 175.22 174.39 3dgf s THR 46 N -3.89 2.08 0.77 -4.49 2.01 -1.26 -4.43 115.64 106.43 3dgf s THR 46 Ca 0.11 -1.69 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 3dgf s THR 46 Cb -0.01 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.28 3dgf s THR 46 CO -0.01 -0.14 1.10 -2.16 -0.69 0.00 0.00 174.62 172.72 3dgf s PRO 47 N 1.12 2.32 0.28 4.92 0.04 -1.26 -4.96 135.00 137.44 3dgf s PRO 47 Ca -0.05 0.60 0.24 0.00 0.04 0.00 0.00 61.00 61.83 3dgf s PRO 47 Cb -0.20 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.84 3dgf s PRO 47 CO -0.06 -1.45 1.53 -0.44 0.04 0.00 0.00 177.00 176.63 3dgf h ASP 48 N -0.96 0.00 -4.67 6.66 5.19 -1.36 -3.47 116.42 117.80 3dgf h ASP 48 Ca -0.46 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 55.88 3dgf h ASP 48 Cb 1.26 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.57 3dgf h ASP 48 CO 0.60 0.02 0.26 -0.22 -3.12 0.00 0.00 179.24 176.79 3dgf s LEU 49 N -5.22 -0.60 -0.04 1.55 2.96 -1.16 -4.25 118.68 111.92 3dgf s LEU 49 Ca 0.07 0.73 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 3dgf s LEU 49 Cb 0.09 2.38 -0.01 0.00 0.50 0.00 0.00 46.19 49.15 3dgf s LEU 49 CO 0.67 -0.51 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.38 3dgf s ILE 50 N -0.98 1.53 -0.22 6.68 1.01 -0.58 -0.91 121.20 127.73 3dgf s ILE 50 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3dgf s ILE 50 Cb -0.01 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.20 3dgf s ILE 50 CO 0.07 0.44 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 3dgf s VAL 51 N -0.12 2.16 -0.20 2.92 1.01 -0.28 -0.57 120.40 125.31 3dgf s VAL 51 Ca -0.01 -1.24 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 3dgf s VAL 51 Cb -0.11 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3dgf s VAL 51 CO 0.02 0.28 -0.15 -0.22 0.00 0.00 0.00 175.10 175.03 3dgf s LEU 52 N 1.21 2.45 -0.14 3.92 2.96 0.61 -0.67 118.68 129.02 3dgf s LEU 52 Ca -0.01 -0.62 -0.27 0.00 -0.22 0.00 0.00 54.13 53.01 3dgf s LEU 52 Cb -0.16 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3dgf s LEU 52 CO -0.09 -0.02 0.90 -0.62 -1.32 0.00 0.00 176.35 175.20 3dgf s ASP 53 N 1.34 7.07 -0.32 3.68 -1.08 -0.50 -0.76 116.67 126.10 3dgf s ASP 53 Ca 0.04 1.32 0.07 0.00 -0.52 0.00 0.00 52.55 53.46 3dgf s ASP 53 Cb -0.14 -2.49 0.46 0.00 -1.46 0.00 0.00 42.92 39.29 3dgf s ASP 53 CO -0.10 -0.42 1.28 2.30 0.52 0.00 0.00 175.17 178.76 3dgf n ILE 54 N 4.66 2.61 -2.17 4.11 -5.35 -0.68 -4.88 119.36 117.65 3dgf n ILE 54 Ca 0.06 -3.95 -0.41 0.00 -0.27 0.00 0.00 62.75 58.18 3dgf n ILE 54 Cb 0.49 -1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 37.34 3dgf n ILE 54 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 3dgf s MET 55 N -3.57 4.38 0.33 6.28 1.75 -1.26 -4.65 119.30 122.56 3dgf s MET 55 Ca 0.51 2.14 -0.29 0.00 -1.25 0.00 0.00 55.69 56.80 3dgf s MET 55 Cb 0.42 -3.13 -0.10 0.00 2.84 0.00 0.00 34.83 34.85 3dgf s MET 55 CO 0.02 -0.21 1.34 -1.64 -0.65 0.00 0.00 175.02 173.88 3dgf s MET 56 N -0.96 4.32 0.23 4.11 -1.94 -1.26 -3.31 119.30 120.48 3dgf s MET 56 Ca 0.53 2.27 -0.30 0.00 -1.71 0.00 0.00 55.69 56.47 3dgf s MET 56 Cb -0.38 -3.06 -0.09 0.00 2.01 0.00 0.00 34.83 33.31 3dgf s MET 56 CO 0.45 -0.24 1.31 -1.25 -0.01 0.00 0.00 175.02 175.28 3dgf s PRO 57 N -1.76 4.38 0.58 2.03 0.04 -1.26 -5.07 135.00 133.94 3dgf s PRO 57 Ca 0.50 2.09 0.37 0.00 0.04 0.00 0.00 61.00 63.99 3dgf s PRO 57 Cb -0.41 -3.17 1.66 0.00 0.04 0.00 0.00 34.50 32.63 3dgf s PRO 57 CO 0.54 -0.24 2.09 0.28 0.04 0.00 0.00 177.00 179.71 3dgf h VAL 58 N 3.60 0.00 0.00 -0.36 2.07 -1.82 -3.47 116.25 116.26 3dgf h VAL 58 Ca -0.45 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3dgf h VAL 58 Cb 1.22 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3dgf h VAL 58 CO 0.75 0.00 0.00 0.23 0.02 0.00 0.00 177.57 178.57 3dgf n MET 59 N -3.07 0.00 -0.72 1.57 2.81 -1.26 -1.33 117.12 115.12 3dgf n MET 59 Ca -0.00 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.96 3dgf n MET 59 Cb 0.24 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 33.10 3dgf n MET 59 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3dgf n ASP 60 N 6.32 5.05 -0.34 7.83 5.75 -1.26 -4.56 116.55 135.33 3dgf n ASP 60 Ca 0.00 -2.86 0.08 0.00 -0.01 0.00 0.00 54.79 52.00 3dgf n ASP 60 Cb 0.00 -0.62 0.27 0.00 -1.03 0.00 0.00 41.12 39.74 3dgf n ASP 60 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3dgf h GLY 61 N 3.39 1.55 1.74 6.12 0.00 -1.55 -2.44 103.07 111.89 3dgf h GLY 61 Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 47.33 46.68 3dgf h GLY 61 CO 0.37 0.14 -1.17 0.74 0.00 0.00 0.00 176.54 176.62 3dgf h PHE 62 N 0.93 0.35 -0.96 5.60 0.05 -1.81 -2.51 116.94 118.59 3dgf h PHE 62 Ca 0.49 -0.25 0.07 0.00 3.82 0.00 0.00 57.97 62.09 3dgf h PHE 62 Cb 0.55 -0.01 -0.06 0.00 2.00 0.00 0.00 35.95 38.42 3dgf h PHE 62 CO -0.00 1.20 0.62 1.15 -0.18 0.00 0.00 178.31 181.10 3dgf h THR 63 N 0.05 1.08 -0.06 -1.55 2.02 -1.76 0.25 112.91 112.93 3dgf h THR 63 Ca -0.10 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3dgf h THR 63 Cb 1.91 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3dgf h THR 63 CO 0.18 0.20 -0.06 0.58 0.37 0.00 0.00 175.52 176.80 3dgf h VAL 64 N 1.11 1.37 -0.65 3.16 2.07 -1.35 -2.05 116.25 119.92 3dgf h VAL 64 Ca 0.41 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3dgf h VAL 64 Cb 0.18 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3dgf h VAL 64 CO -0.16 0.33 0.43 0.25 0.02 0.00 0.00 177.57 178.44 3dgf h LEU 65 N -0.30 0.69 -0.23 2.57 5.85 -1.06 -1.15 115.31 121.69 3dgf h LEU 65 Ca 0.01 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3dgf h LEU 65 Cb 0.56 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3dgf h LEU 65 CO 0.01 0.49 -0.25 0.11 -0.34 0.00 0.00 178.44 178.47 3dgf h LYS 66 N 0.81 0.57 -0.24 1.25 1.57 -0.93 -3.05 116.57 116.56 3dgf h LYS 66 Ca 0.25 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3dgf h LYS 66 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3dgf h LYS 66 CO -0.06 0.90 -0.11 0.87 -0.57 0.00 0.00 179.45 180.48 3dgf h LYS 67 N 0.26 0.38 -0.58 3.15 1.57 -0.90 -2.14 116.57 118.31 3dgf h LYS 67 Ca 0.03 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3dgf h LYS 67 Cb 0.81 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3dgf h LYS 67 CO 0.06 0.50 0.15 -0.07 -0.57 0.00 0.00 179.45 179.52 3dgf h LEU 68 N 0.36 0.83 -1.08 2.94 3.38 -1.22 -2.73 115.31 117.78 3dgf h LEU 68 Ca 0.07 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3dgf h LEU 68 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3dgf h LEU 68 CO 0.02 0.80 -0.38 1.56 0.09 0.00 0.00 178.44 180.54 3dgf h GLN 69 N 0.85 0.00 0.00 1.13 1.08 -1.29 -1.01 115.11 115.87 3dgf h GLN 69 Ca 0.19 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3dgf h GLN 69 Cb 0.30 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3dgf h GLN 69 CO -0.00 0.38 -0.23 0.93 -0.95 0.00 0.00 178.83 178.95 3dgf h GLU 70 N 0.00 0.00 -5.19 1.46 5.08 -1.14 -3.44 114.58 111.34 3dgf h GLU 70 Ca -0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3dgf h GLU 70 Cb 0.82 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.91 3dgf h GLU 70 CO 0.05 0.03 -0.54 0.15 -1.00 0.00 0.00 179.01 177.69 3dgf s LYS 71 N -3.22 4.00 0.36 2.33 1.02 -1.15 -4.98 119.74 118.09 3dgf s LYS 71 Ca 0.05 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.80 3dgf s LYS 71 Cb 0.06 -3.34 0.79 0.00 -0.52 0.00 0.00 37.83 34.82 3dgf s LYS 71 CO 0.70 0.18 1.91 1.49 -0.92 0.00 0.00 175.35 178.70 3dgf h GLU 72 N 7.06 0.69 0.00 1.68 4.57 -1.87 0.41 114.58 127.13 3dgf h GLU 72 Ca -0.38 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 3dgf h GLU 72 Cb 1.17 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3dgf h GLU 72 CO 0.69 0.46 -0.10 0.93 -1.18 0.00 0.00 179.01 179.81 3dgf h GLU 73 N 0.71 0.00 0.00 1.92 3.07 -1.93 -3.34 114.58 115.01 3dgf h GLU 73 Ca 0.39 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 3dgf h GLU 73 Cb 0.53 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3dgf h GLU 73 CO -0.16 0.10 -1.64 0.91 -1.40 0.00 0.00 179.01 176.82 3dgf n TRP 74 N -3.19 0.00 0.18 4.33 8.01 -0.74 -4.61 117.44 121.42 3dgf n TRP 74 Ca 0.01 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.33 3dgf n TRP 74 Cb 0.41 -0.42 0.67 0.00 -2.01 0.00 0.00 31.31 29.96 3dgf n TRP 74 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 3dgf h LYS 75 N 0.00 0.00 -0.01 -0.99 2.10 0.46 -1.35 116.57 116.79 3dgf h LYS 75 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 3dgf h LYS 75 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3dgf h LYS 75 CO 0.01 0.00 -0.62 0.54 -2.00 0.00 0.00 179.45 177.38 3dgf n ARG 76 N -2.35 0.71 -2.30 0.07 1.74 -1.26 -4.90 116.66 108.36 3dgf n ARG 76 Ca -0.02 -0.56 -0.43 0.00 -0.77 0.00 0.00 57.85 56.07 3dgf n ARG 76 Cb 0.04 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 3dgf n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dgf s ILE 77 N -2.68 4.02 0.50 0.55 1.01 -0.51 -4.98 121.20 119.11 3dgf s ILE 77 Ca 0.15 1.28 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 3dgf s ILE 77 Cb 0.18 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 3dgf s ILE 77 CO 0.67 -0.08 1.39 -2.84 0.00 0.00 0.00 174.94 174.08 3dgf s PRO 78 N 3.27 3.38 -0.02 2.79 0.02 -1.26 -4.86 135.00 138.31 3dgf s PRO 78 Ca 0.61 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.96 3dgf s PRO 78 Cb -0.26 -2.43 0.01 0.00 0.02 0.00 0.00 34.50 31.83 3dgf s PRO 78 CO 0.21 -1.03 -0.07 0.08 -0.33 0.00 0.00 177.00 175.87 3dgf s VAL 79 N -1.26 0.62 -0.14 3.83 1.01 -1.26 -1.53 120.40 121.67 3dgf s VAL 79 Ca 0.67 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3dgf s VAL 79 Cb -0.42 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3dgf s VAL 79 CO 0.52 0.21 -0.16 -0.63 0.00 0.00 0.00 175.10 175.03 3dgf s ILE 80 N 0.30 2.73 -0.14 2.22 1.01 0.26 -1.02 121.20 126.56 3dgf s ILE 80 Ca -0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3dgf s ILE 80 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3dgf s ILE 80 CO 0.00 0.53 0.03 0.68 0.00 0.00 0.00 174.94 176.18 3dgf s VAL 81 N 0.55 4.55 -0.33 2.92 -7.23 -0.26 -0.29 120.40 120.31 3dgf s VAL 81 Ca -0.10 -0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 3dgf s VAL 81 Cb -0.16 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 3dgf s VAL 81 CO 0.04 0.54 0.48 -0.76 -0.31 0.00 0.00 175.10 175.08 3dgf s LEU 82 N -0.24 4.27 0.32 1.32 1.43 0.06 -0.45 118.68 125.40 3dgf s LEU 82 Ca 0.07 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3dgf s LEU 82 Cb -0.12 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3dgf s LEU 82 CO 0.02 -0.40 0.26 0.42 0.23 0.00 0.00 176.35 176.88 3dgf s THR 83 N 2.29 3.66 0.25 5.49 -4.23 -0.81 -1.69 115.64 120.60 3dgf s THR 83 Ca 0.18 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 3dgf s THR 83 Cb -0.16 -3.20 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 3dgf s THR 83 CO 0.12 -0.21 0.07 0.00 -0.54 0.00 0.00 174.62 174.06 3dgf s ALA 84 N -2.28 1.75 0.27 3.99 0.00 -1.26 -2.29 121.76 121.93 3dgf s ALA 84 Ca 0.39 -1.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 3dgf s ALA 84 Cb -0.06 0.91 -0.10 0.00 0.00 0.00 0.00 23.12 23.87 3dgf s ALA 84 CO 0.26 -0.41 1.29 0.21 0.00 0.00 0.00 175.76 177.11 3dgf s LYS 85 N -3.99 4.40 0.00 0.00 2.47 -1.26 -2.46 119.74 118.90 3dgf s LYS 85 Ca 0.35 2.11 0.00 0.00 -1.56 0.00 0.00 55.97 56.87 3dgf s LYS 85 Cb 0.08 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 33.31 3dgf s LYS 85 CO 0.12 -0.18 0.00 0.41 0.16 0.00 0.00 175.35 175.86 3dgf n GLY 86 N 1.55 2.09 1.41 5.54 0.00 -1.26 -4.87 105.19 109.65 3dgf n GLY 86 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3dgf n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dgf n GLY 87 N -2.00 2.67 0.37 -0.02 0.00 -1.03 -4.50 105.19 100.67 3dgf n GLY 87 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.55 3dgf n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dgf h GLU 88 N 1.74 0.88 0.07 1.61 9.09 -1.90 0.16 114.58 126.23 3dgf h GLU 88 Ca 0.11 -0.05 0.02 0.00 0.05 0.00 0.00 59.36 59.49 3dgf h GLU 88 Cb 1.56 -0.20 -0.04 0.00 -1.65 0.00 0.00 28.75 28.42 3dgf h GLU 88 CO 0.39 0.58 -0.34 1.49 0.05 0.00 0.00 179.01 181.18 3dgf h GLU 89 N 0.90 -0.51 -0.22 1.06 4.81 -1.98 -2.10 114.58 116.54 3dgf h GLU 89 Ca 0.45 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.64 3dgf h GLU 89 Cb 0.49 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3dgf h GLU 89 CO -0.22 -0.34 -0.19 -0.44 -0.73 0.00 0.00 179.01 177.09 3dgf h ASP 90 N -0.53 0.38 0.11 1.04 3.32 -1.42 -2.49 116.42 116.83 3dgf h ASP 90 Ca 0.04 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3dgf h ASP 90 Cb 0.59 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3dgf h ASP 90 CO -0.23 0.60 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.75 3dgf h GLU 91 N 0.36 -0.15 -0.83 3.56 4.81 -0.64 0.20 114.58 121.88 3dgf h GLU 91 Ca 0.06 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 3dgf h GLU 91 Cb 0.55 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 3dgf h GLU 91 CO 0.04 0.14 0.44 0.77 -0.73 0.00 0.00 179.01 179.67 3dgf h SER 92 N -0.43 0.57 0.41 1.04 0.02 -1.28 -0.73 113.55 113.14 3dgf h SER 92 Ca -0.02 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3dgf h SER 92 Cb 0.35 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3dgf h SER 92 CO 0.03 0.28 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.63 3dgf h LEU 93 N 0.68 -0.79 -0.98 5.07 3.38 -1.27 -0.25 115.31 121.16 3dgf h LEU 93 Ca 0.43 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.74 3dgf h LEU 93 Cb 0.52 0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3dgf h LEU 93 CO -0.31 -0.43 0.50 0.00 0.09 0.00 0.00 178.44 178.29 3dgf h ALA 94 N -1.38 1.78 0.00 1.53 0.00 0.06 11.93 119.26 133.19 3dgf h ALA 94 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dgf h ALA 94 Cb 0.56 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dgf h ALA 94 CO 0.02 -0.50 0.00 -0.07 0.00 0.00 0.00 179.25 178.70 3dgf h LEU 95 N 0.34 0.00 0.00 0.00 4.07 -1.04 0.12 115.31 118.81 3dgf h LEU 95 Ca 0.68 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.64 3dgf h LEU 95 Cb 1.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.22 3dgf h LEU 95 CO -0.59 0.00 -0.74 -0.24 -1.08 0.00 0.00 178.44 175.78 3dgf n SER 96 N -2.59 2.05 -3.48 -0.43 2.88 0.71 -4.11 113.62 108.65 3dgf n SER 96 Ca 0.04 -0.30 -0.40 0.00 -1.33 0.00 0.00 58.87 56.88 3dgf n SER 96 Cb 0.39 1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 64.95 3dgf n SER 96 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dgf n LEU 97 N -1.40 7.66 0.00 2.46 4.77 3.59 -4.93 117.00 129.15 3dgf n LEU 97 Ca -0.00 -4.15 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 3dgf n LEU 97 Cb 0.11 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 3dgf n LEU 97 CO 0.11 1.53 0.00 0.61 -1.33 0.00 0.00 177.39 178.31 3dgf n GLY 98 N 3.83 0.00 0.10 -0.72 0.00 -1.26 -4.85 105.19 102.29 3dgf n GLY 98 Ca 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.66 3dgf n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dgf n ALA 99 N 0.00 -0.14 0.00 4.61 0.00 0.43 -5.00 120.51 120.41 3dgf n ALA 99 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dgf n ALA 99 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dgf n ALA 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3dgf n ARG 100 N -1.94 0.00 -4.32 0.00 0.00 -1.26 -4.87 116.66 104.27 3dgf n ARG 100 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.58 3dgf n ARG 100 Cb 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.37 3dgf n ARG 100 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3dgf s LYS 101 N 0.00 1.87 0.12 2.89 1.02 -0.19 -4.61 119.74 120.83 3dgf s LYS 101 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 54.72 3dgf s LYS 101 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3dgf s LYS 101 CO 0.00 0.45 0.26 0.14 -0.92 0.00 0.00 175.35 175.28 3dgf s VAL 102 N -1.50 5.34 -0.15 3.17 -7.23 -1.26 -1.10 120.40 117.67 3dgf s VAL 102 Ca 0.22 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.80 3dgf s VAL 102 Cb -0.09 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.22 3dgf s VAL 102 CO 0.12 -0.00 0.22 -0.32 -0.31 0.00 0.00 175.10 174.81 3dgf s MET 103 N -2.95 0.14 1.08 4.82 1.75 0.41 -4.90 119.30 119.65 3dgf s MET 103 Ca 0.35 0.45 -0.14 0.00 -1.25 0.00 0.00 55.69 55.10 3dgf s MET 103 Cb -0.12 -0.63 0.23 0.00 2.84 0.00 0.00 34.83 37.15 3dgf s MET 103 CO 0.28 -0.46 1.09 1.03 -0.65 0.00 0.00 175.02 176.31 3dgf s ARG 104 N 2.35 -0.21 0.10 4.11 0.52 -1.26 -1.92 118.95 122.64 3dgf s ARG 104 Ca 0.04 0.39 0.06 0.00 -0.52 0.00 0.00 55.73 55.70 3dgf s ARG 104 Cb -0.14 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 3dgf s ARG 104 CO -0.10 -3.13 -0.14 -1.59 0.02 0.00 0.00 175.30 170.36 3dgf s LYS 105 N -5.01 0.94 0.22 3.54 0.00 -0.97 -4.38 119.74 114.08 3dgf s LYS 105 Ca 0.67 -1.12 -0.30 0.00 0.00 0.00 0.00 55.97 55.23 3dgf s LYS 105 Cb -0.17 -0.89 -0.16 0.00 0.00 0.00 0.00 37.83 36.61 3dgf s LYS 105 CO 0.58 0.18 0.89 -0.35 0.00 0.00 0.00 175.35 176.65 3dgf n PRO 106 N 0.87 0.82 -3.38 1.78 -0.04 -1.26 -4.64 135.00 129.15 3dgf n PRO 106 Ca -0.18 0.29 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 3dgf n PRO 106 Cb 0.56 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3dgf n PRO 106 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3dgf s PHE 107 N -0.81 3.70 -0.25 0.54 5.36 -1.26 -5.07 117.98 120.18 3dgf s PHE 107 Ca 0.65 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.73 3dgf s PHE 107 Cb -0.83 -2.38 0.07 0.00 -0.34 0.00 0.00 43.02 39.54 3dgf s PHE 107 CO 0.57 0.53 -0.04 0.45 -1.46 0.00 0.00 175.22 175.28 3dgf s SER 108 N -1.39 4.00 0.27 6.13 0.15 -1.26 -5.02 113.70 116.58 3dgf s SER 108 Ca 0.32 -1.32 -0.00 0.00 0.70 0.00 0.00 55.95 55.64 3dgf s SER 108 Cb -0.17 -1.23 0.50 0.00 -1.71 0.00 0.00 66.02 63.42 3dgf s SER 108 CO 0.18 -0.26 1.83 -0.65 1.20 0.00 0.00 173.24 175.54 3dgf h PRO 109 N 7.92 0.94 -0.60 5.44 0.11 -1.99 -0.91 132.00 142.91 3dgf h PRO 109 Ca -0.16 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.79 3dgf h PRO 109 Cb 1.06 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3dgf h PRO 109 CO 0.43 0.63 -0.02 0.77 -0.21 0.00 0.00 178.00 179.60 3dgf h SER 110 N 0.97 1.05 -0.39 -2.05 0.02 -1.99 -0.85 113.55 110.31 3dgf h SER 110 Ca 0.47 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3dgf h SER 110 Cb 0.43 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3dgf h SER 110 CO -0.25 1.11 0.11 -0.61 -1.14 0.00 0.00 176.83 176.05 3dgf h GLN 111 N 0.96 0.62 0.11 3.45 4.15 -1.81 -1.83 115.11 120.75 3dgf h GLN 111 Ca 0.17 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3dgf h GLN 111 Cb 0.58 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3dgf h GLN 111 CO 0.03 0.63 -0.09 0.35 -1.93 0.00 0.00 178.83 177.82 3dgf h PHE 112 N 0.49 -0.24 -0.51 3.99 3.57 -1.02 -2.83 116.94 120.39 3dgf h PHE 112 Ca 0.13 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3dgf h PHE 112 Cb 0.28 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3dgf h PHE 112 CO 0.01 -0.15 0.12 0.82 -2.23 0.00 0.00 178.31 176.88 3dgf h ILE 113 N -0.21 1.22 -0.40 1.41 1.08 -1.08 -1.02 117.51 118.51 3dgf h ILE 113 Ca 0.00 -0.80 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 3dgf h ILE 113 Cb 0.20 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 3dgf h ILE 113 CO -0.02 0.29 0.02 -0.33 -0.69 0.00 0.00 178.15 177.43 3dgf h GLU 114 N 0.76 0.62 -0.37 2.37 4.39 -1.27 0.93 114.58 122.01 3dgf h GLU 114 Ca 0.17 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 3dgf h GLU 114 Cb 0.29 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3dgf h GLU 114 CO -0.00 0.62 -0.31 1.49 -1.16 0.00 0.00 179.01 179.66 3dgf h GLU 115 N 0.59 0.86 0.15 2.33 4.57 -1.16 -0.53 114.58 121.39 3dgf h GLU 115 Ca 0.13 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3dgf h GLU 115 Cb 0.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3dgf h GLU 115 CO 0.01 1.07 -0.14 0.28 -1.18 0.00 0.00 179.01 179.05 3dgf h VAL 116 N 0.66 0.69 -0.97 0.32 2.07 -0.84 -0.24 116.25 117.95 3dgf h VAL 116 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 3dgf h VAL 116 Cb 0.89 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3dgf h VAL 116 CO 0.08 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.41 3dgf h LYS 117 N -0.31 1.10 -0.58 1.57 1.57 -0.77 -0.73 116.57 118.42 3dgf h LYS 117 Ca 0.00 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3dgf h LYS 117 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3dgf h LYS 117 CO -0.03 0.73 0.15 1.25 -0.57 0.00 0.00 179.45 180.98 3dgf h HIS 118 N 1.14 0.97 -0.04 -1.35 2.76 -0.77 -3.11 115.15 114.75 3dgf h HIS 118 Ca 0.41 -0.11 -0.16 0.00 -2.20 0.00 0.00 60.37 58.31 3dgf h HIS 118 Cb 0.15 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3dgf h HIS 118 CO -0.00 0.82 -0.68 -0.07 -1.30 0.00 0.00 177.93 176.70 3dgf h LEU 119 N 0.84 0.22 -1.89 0.26 3.38 -0.40 -3.17 115.31 114.55 3dgf h LEU 119 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dgf h LEU 119 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dgf h LEU 119 CO -0.00 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.54 3dgf n LEU 120 N -3.80 2.67 0.00 1.67 4.77 -0.34 -4.99 117.00 116.98 3dgf n LEU 120 Ca -0.02 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 3dgf n LEU 120 Cb 0.67 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3dgf n LEU 120 CO 0.45 0.38 0.18 0.59 -1.33 0.00 0.00 177.39 177.66