#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csf s SER 2 N 0.00 0.37 0.07 1.61 1.04 -1.26 -5.18 113.70 110.34 2csf s SER 2 Ca 0.00 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2csf s SER 2 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2csf s SER 2 CO 0.00 -1.10 -0.05 -0.44 0.98 0.00 0.00 173.24 172.63 2csf s SER 3 N -3.14 0.76 0.00 7.02 0.01 -1.26 -5.14 113.70 111.95 2csf s SER 3 Ca 0.30 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2csf s SER 3 Cb 0.02 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2csf s SER 3 CO 0.14 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2csf n GLY 4 N 0.21 2.42 3.57 3.44 0.00 -1.26 -5.19 105.19 108.38 2csf n GLY 4 Ca -0.14 0.26 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2csf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2csf s SER 5 N 0.00 -0.27 0.03 1.61 0.15 -1.26 -5.19 113.70 108.77 2csf s SER 5 Ca 0.00 0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.56 2csf s SER 5 Cb 0.00 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 2csf s SER 5 CO 0.00 -0.35 0.57 -0.55 1.20 0.00 0.00 173.24 174.12 2csf s SER 6 N -1.71 -0.52 -0.39 5.45 0.15 -1.26 -5.13 113.70 110.29 2csf s SER 6 Ca 0.04 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.05 2csf s SER 6 Cb -0.01 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 64.98 2csf s SER 6 CO -0.04 -0.71 0.37 -0.83 1.20 0.00 0.00 173.24 173.24 2csf s GLY 7 N -1.80 0.32 0.45 9.45 0.00 -1.26 -5.14 107.32 109.34 2csf s GLY 7 Ca -0.07 -1.46 -0.23 0.00 0.00 0.00 0.00 44.72 42.96 2csf s GLY 7 CO 0.01 2.56 1.17 2.56 0.00 0.00 0.00 173.10 179.39 2csf s PRO 8 N 0.96 3.82 0.29 2.90 0.04 -1.26 -4.96 135.00 136.80 2csf s PRO 8 Ca 0.22 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2csf s PRO 8 Cb -0.11 -2.47 -0.12 0.00 0.04 0.00 0.00 34.50 31.84 2csf s PRO 8 CO -0.06 -0.50 1.54 -0.89 0.04 0.00 0.00 177.00 177.13 2csf n ILE 9 N -0.35 1.09 -3.64 0.56 2.08 -1.26 -4.97 119.36 112.87 2csf n ILE 9 Ca 0.07 -0.27 -0.38 0.00 0.56 0.00 0.00 62.75 62.72 2csf n ILE 9 Cb 0.48 -1.86 -0.11 0.00 -0.75 0.00 0.00 39.64 37.39 2csf n ILE 9 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2csf s LYS 10 N -0.61 3.74 0.27 0.38 2.20 -1.26 -5.07 119.74 119.38 2csf s LYS 10 Ca 0.64 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 2csf s LYS 10 Cb -0.53 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.13 2csf s LYS 10 CO 0.50 -0.24 1.09 0.08 -0.36 0.00 0.00 175.35 176.42 2csf s VAL 11 N 1.70 3.56 -0.30 4.02 1.01 -1.26 -5.03 120.40 124.10 2csf s VAL 11 Ca 0.06 1.55 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 2csf s VAL 11 Cb -0.16 -3.99 0.18 0.00 0.00 0.00 0.00 36.38 32.41 2csf s VAL 11 CO 0.08 0.36 0.98 -0.62 0.00 0.00 0.00 175.10 175.90 2csf s ASP 12 N -0.82 -0.61 0.00 3.32 -1.08 -1.26 -5.16 116.67 111.06 2csf s ASP 12 Ca 0.45 0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.98 2csf s ASP 12 Cb -0.31 1.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.71 2csf s ASP 12 CO 0.40 -0.11 0.00 0.61 0.52 0.00 0.00 175.17 176.58 2csf n GLY 13 N 5.31 4.10 3.57 2.66 0.00 -1.26 -4.98 105.19 114.59 2csf n GLY 13 Ca -0.07 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf s ALA 14 N -0.72 2.44 0.02 4.61 0.00 -1.26 -4.87 121.76 121.98 2csf s ALA 14 Ca 0.00 -2.30 -0.22 0.00 0.00 0.00 0.00 51.96 49.44 2csf s ALA 14 Cb 0.00 -4.61 0.05 0.00 0.00 0.00 0.00 23.12 18.55 2csf s ALA 14 CO 0.00 -4.21 0.50 1.21 0.00 0.00 0.00 175.76 173.26 2csf s ASN 15 N 5.75 -0.41 0.16 0.00 2.47 -1.26 -5.13 114.94 116.52 2csf s ASN 15 Ca 0.59 0.22 -0.32 0.00 0.42 0.00 0.00 52.86 53.78 2csf s ASN 15 Cb -0.00 0.46 -0.12 0.00 -1.45 0.00 0.00 41.25 40.14 2csf s ASN 15 CO 0.04 -0.65 1.76 -0.38 -3.72 0.00 0.00 177.10 174.15 2csf n ILE 16 N 0.62 0.16 -3.32 -5.21 5.41 -1.26 -4.95 119.36 110.82 2csf n ILE 16 Ca -0.19 -0.03 -0.45 0.00 1.00 0.00 0.00 62.75 63.08 2csf n ILE 16 Cb 0.59 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.47 2csf n ILE 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2csf s ASN 17 N 1.85 6.18 -0.02 4.38 2.47 -1.26 -5.05 114.94 123.49 2csf s ASN 17 Ca 0.79 -1.56 -0.26 0.00 0.42 0.00 0.00 52.86 52.24 2csf s ASN 17 Cb -0.52 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 2csf s ASN 17 CO 0.35 -0.80 0.83 -0.63 -3.72 0.00 0.00 177.10 173.13 2csf s ILE 18 N 1.73 4.92 0.17 -5.21 -1.09 -1.26 -5.06 121.20 115.40 2csf s ILE 18 Ca 0.04 1.73 0.07 0.00 -2.23 0.00 0.00 60.65 60.27 2csf s ILE 18 Cb -0.27 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2csf s ILE 18 CO 0.05 0.23 -0.15 0.42 -1.23 0.00 0.00 174.94 174.25 2csf s THR 19 N 0.76 1.66 0.50 2.92 -4.23 -1.26 -4.76 115.64 111.23 2csf s THR 19 Ca 0.44 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.26 2csf s THR 19 Cb -0.20 -1.86 0.50 0.00 1.34 0.00 0.00 72.50 72.29 2csf s THR 19 CO 0.23 -0.47 1.81 0.00 -0.54 0.00 0.00 174.62 175.65 2csf h ALA 20 N 3.01 2.85 -0.88 3.99 0.00 -1.91 0.25 119.26 126.57 2csf h ALA 20 Ca -0.40 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.70 2csf h ALA 20 Cb 1.21 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2csf h ALA 20 CO 0.56 -1.20 0.59 0.00 0.00 0.00 0.00 179.25 179.20 2csf h ALA 21 N 1.49 2.19 -1.06 0.00 0.00 -1.99 -1.51 119.26 118.38 2csf h ALA 21 Ca 0.55 0.02 0.42 0.00 0.00 0.00 0.00 54.91 55.90 2csf h ALA 21 Cb 1.99 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.58 2csf h ALA 21 CO -0.08 -0.47 0.61 1.51 0.00 0.00 0.00 179.25 180.81 2csf n ILE 22 N -4.51 -0.37 0.09 0.00 3.06 0.89 0.70 119.36 119.22 2csf n ILE 22 Ca 0.19 1.92 -0.13 0.00 -2.50 0.00 0.00 62.75 62.22 2csf n ILE 22 Cb 0.68 -3.12 -0.08 0.00 0.54 0.00 0.00 39.64 37.65 2csf n ILE 22 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 2csf h TYR 23 N 0.00 -0.16 -0.98 9.51 0.05 -1.48 -2.33 116.97 121.58 2csf h TYR 23 Ca 0.83 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.66 2csf h TYR 23 Cb 2.32 0.05 -0.06 0.00 1.01 0.00 0.00 36.73 40.06 2csf h TYR 23 CO -0.01 -0.01 0.64 -0.44 -1.05 0.00 0.00 178.16 177.29 2csf h ASP 24 N -0.27 1.03 -0.75 3.88 5.19 0.11 -1.51 116.42 124.10 2csf h ASP 24 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2csf h ASP 24 Cb 0.22 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 2csf h ASP 24 CO 0.03 0.68 0.48 -0.33 -3.12 0.00 0.00 179.24 176.98 2csf h GLU 25 N 1.18 1.00 -0.53 3.56 5.08 -1.03 -2.08 114.58 121.76 2csf h GLU 25 Ca 0.41 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2csf h GLU 25 Cb 0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2csf h GLU 25 CO -0.15 0.68 -0.03 0.82 -1.00 0.00 0.00 179.01 179.34 2csf h ILE 26 N 1.02 1.26 -0.18 3.13 2.04 -0.74 0.28 117.51 124.33 2csf h ILE 26 Ca 0.27 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2csf h ILE 26 Cb -0.09 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2csf h ILE 26 CO -0.06 0.40 0.06 1.56 0.00 0.00 0.00 178.15 180.11 2csf h GLN 27 N 0.84 0.27 -0.01 2.37 4.20 -1.02 -2.84 115.11 118.92 2csf h GLN 27 Ca 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2csf h GLN 27 Cb 0.53 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2csf h GLN 27 CO 0.03 0.37 -0.03 1.96 -0.67 0.00 0.00 178.83 180.49 2csf h GLN 28 N 0.12 0.05 -1.31 1.46 4.20 -1.33 -3.16 115.11 115.14 2csf h GLN 28 Ca 0.06 -0.03 0.40 0.00 0.06 0.00 0.00 58.65 59.14 2csf h GLN 28 Cb 0.21 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.89 2csf h GLN 28 CO -0.00 0.61 0.87 1.49 -0.67 0.00 0.00 178.83 181.13 2csf h GLU 29 N -0.51 0.13 0.59 1.46 4.57 -0.47 -0.24 114.58 120.11 2csf h GLU 29 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2csf h GLU 29 Cb 0.61 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2csf h GLU 29 CO 0.01 0.09 -0.28 0.52 -1.18 0.00 0.00 179.01 178.16 2csf h MET 30 N 0.13 -0.77 -0.27 1.92 2.86 -1.46 -2.57 114.93 114.78 2csf h MET 30 Ca 0.76 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 58.53 2csf h MET 30 Cb 2.43 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 34.25 2csf h MET 30 CO -0.31 -0.51 0.41 1.57 1.06 0.00 0.00 176.91 179.13 2csf h LYS 31 N -1.02 0.00 -0.07 1.72 5.09 -1.14 1.40 116.57 122.56 2csf h LYS 31 Ca -0.08 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.47 2csf h LYS 31 Cb 0.61 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.94 2csf h LYS 31 CO 0.13 0.00 -0.75 -0.09 -2.09 0.00 0.00 179.45 176.65 2csf h ARG 32 N 0.00 0.39 -0.17 0.07 9.65 -1.00 -3.24 114.38 120.09 2csf h ARG 32 Ca 0.13 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2csf h ARG 32 Cb 0.94 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2csf h ARG 32 CO -0.00 0.98 0.00 0.00 2.80 0.00 0.00 179.97 183.75 2csf n ALA 33 N -2.51 2.35 -3.73 2.80 0.00 0.99 -4.99 120.51 115.42 2csf n ALA 33 Ca -0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 53.44 52.33 2csf n ALA 33 Cb 0.72 -0.43 0.03 0.00 0.00 0.00 0.00 19.45 19.78 2csf n ALA 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2csf n LYS 34 N 0.63 -5.18 -3.94 0.00 4.01 0.44 -4.99 118.16 109.14 2csf n LYS 34 Ca 0.09 0.63 -0.24 0.00 -0.51 0.00 0.00 58.31 58.28 2csf n LYS 34 Cb 0.36 -5.28 -0.05 0.00 -0.51 0.00 0.00 35.03 29.55 2csf n LYS 34 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2csf s VAL 35 N -3.58 2.32 0.13 -0.18 -7.23 -0.96 -5.00 120.40 105.90 2csf s VAL 35 Ca 0.16 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2csf s VAL 35 Cb -0.08 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 2csf s VAL 35 CO 0.81 0.00 0.08 -0.55 -0.31 0.00 0.00 175.10 175.13 2csf s SER 36 N -4.02 5.32 0.45 4.85 0.15 -1.26 -4.66 113.70 114.54 2csf s SER 36 Ca 0.42 -0.15 0.28 0.00 0.70 0.00 0.00 55.95 57.20 2csf s SER 36 Cb 0.01 -1.34 1.35 0.00 -1.71 0.00 0.00 66.02 64.33 2csf s SER 36 CO 0.24 0.11 1.71 1.56 1.20 0.00 0.00 173.24 178.06 2csf h GLN 37 N 2.83 0.17 -0.31 5.44 4.20 -1.97 0.46 115.11 125.94 2csf h GLN 37 Ca -0.47 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 2csf h GLN 37 Cb 1.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2csf h GLN 37 CO 0.62 0.11 -0.08 0.00 -0.67 0.00 0.00 178.83 178.82 2csf h ALA 38 N 1.53 0.42 0.39 3.87 0.00 -1.92 -2.41 119.26 121.14 2csf h ALA 38 Ca 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2csf h ALA 38 Cb 2.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2csf h ALA 38 CO -0.26 0.26 -0.19 1.25 0.00 0.00 0.00 179.25 180.31 2csf h LEU 39 N 0.37 -0.44 -1.09 0.00 5.85 -0.51 0.18 115.31 119.67 2csf h LEU 39 Ca 0.08 0.02 0.35 0.00 0.84 0.00 0.00 57.88 59.17 2csf h LEU 39 Cb 0.57 0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.57 2csf h LEU 39 CO 0.03 -0.23 0.62 0.15 -0.34 0.00 0.00 178.44 178.67 2csf h PHE 40 N -0.69 0.83 0.00 1.25 3.04 -1.35 1.71 116.94 121.73 2csf h PHE 40 Ca -0.05 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2csf h PHE 40 Cb 0.40 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 2csf h PHE 40 CO 0.07 -0.21 -0.51 0.00 -2.02 0.00 0.00 178.31 175.64 2csf h ALA 41 N 1.82 0.68 0.00 2.41 0.00 -1.39 0.23 119.26 123.00 2csf h ALA 41 Ca 0.76 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2csf h ALA 41 Cb 1.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2csf h ALA 41 CO -0.58 0.63 -0.66 -0.22 0.00 0.00 0.00 179.25 178.42 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.53 2.01 116.57 122.23 2csf h LYS 42 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2csf h LYS 42 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 2csf h LYS 42 CO 0.07 0.23 -1.41 1.33 -2.81 0.00 0.00 179.45 176.85 2csf n VAL 43 N -3.02 0.00 -0.11 2.00 0.24 0.24 -3.35 118.33 114.33 2csf n VAL 43 Ca -0.00 -0.29 -0.19 0.00 -2.04 0.00 0.00 64.34 61.81 2csf n VAL 43 Cb 0.67 0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 33.39 2csf n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2csf n ALA 44 N -1.84 1.02 0.36 2.33 0.00 0.80 -4.70 120.51 118.48 2csf n ALA 44 Ca -0.01 -0.94 0.04 0.00 0.00 0.00 0.00 53.44 52.53 2csf n ALA 44 Cb 0.36 0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.90 2csf n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2csf n ALA 45 N -4.30 2.58 -2.08 0.00 0.00 -0.66 -4.27 120.51 111.78 2csf n ALA 45 Ca -0.34 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.41 2csf n ALA 45 Cb 0.70 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 2csf n ALA 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2csf n ASN 46 N 0.20 -4.96 -3.50 0.00 5.15 0.64 -4.91 115.26 107.88 2csf n ASN 46 Ca 0.04 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 54.12 2csf n ASN 46 Cb 0.20 -4.26 0.04 0.00 -0.53 0.00 0.00 39.78 35.23 2csf n ASN 46 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2csf n LYS 47 N -2.65 0.71 -3.68 1.20 4.76 0.15 -4.82 118.16 113.83 2csf n LYS 47 Ca -0.20 -1.59 -0.33 0.00 -2.87 0.00 0.00 58.31 53.32 2csf n LYS 47 Cb 0.63 -0.16 -0.05 0.00 -1.84 0.00 0.00 35.03 33.61 2csf n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2csf s SER 48 N -2.91 6.52 0.28 4.39 0.01 -1.26 -3.64 113.70 117.09 2csf s SER 48 Ca 0.32 0.61 -0.06 0.00 1.31 0.00 0.00 55.95 58.13 2csf s SER 48 Cb -0.02 -2.10 0.52 0.00 0.21 0.00 0.00 66.02 64.63 2csf s SER 48 CO 0.21 0.12 1.57 -0.61 0.41 0.00 0.00 173.24 174.94 2csf h GLN 49 N 3.25 0.00 -1.03 12.44 4.15 -1.82 0.91 115.11 133.02 2csf h GLN 49 Ca -0.47 -0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.20 2csf h GLN 49 Cb 1.18 -0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.77 2csf h GLN 49 CO 0.70 0.00 0.65 0.78 -1.93 0.00 0.00 178.83 179.04 2csf h GLY 50 N 0.01 1.30 2.00 2.39 0.00 -1.94 0.67 103.07 107.50 2csf h GLY 50 Ca 0.50 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 2csf h GLY 50 CO -0.97 -0.14 -0.49 -0.25 0.00 0.00 0.00 176.54 174.69 2csf h TRP 51 N 0.44 0.00 0.00 5.60 7.01 0.46 -3.05 115.95 126.40 2csf h TRP 51 Ca 0.59 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.58 2csf h TRP 51 Cb 1.43 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.48 2csf h TRP 51 CO -0.00 0.49 -0.23 1.25 -2.79 0.00 0.00 178.44 177.17 2csf h LEU 52 N 0.00 0.00 -0.84 0.65 7.12 0.49 -3.28 115.31 119.46 2csf h LEU 52 Ca -0.00 -0.08 0.16 0.00 0.13 0.00 0.00 57.88 58.08 2csf h LEU 52 Cb 1.09 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.07 2csf h LEU 52 CO 0.06 0.66 -0.24 0.00 -0.13 0.00 0.00 178.44 178.79 2csf h GLU 54 N -0.02 -0.32 -0.96 0.00 5.08 -1.71 -0.44 114.58 116.21 2csf h GLU 54 Ca 0.38 0.02 0.31 0.00 -1.00 0.00 0.00 59.36 59.07 2csf h GLU 54 Cb 0.61 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.78 2csf h GLU 54 CO -0.86 -0.22 0.42 -0.07 -1.00 0.00 0.00 179.01 177.28 2csf h LEU 55 N -0.34 0.25 -0.34 1.33 4.07 -0.96 1.69 115.31 121.01 2csf h LEU 55 Ca 0.10 0.21 -0.06 0.00 0.08 0.00 0.00 57.88 58.21 2csf h LEU 55 Cb 0.49 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2csf h LEU 55 CO -0.33 -0.21 -0.30 -0.07 -1.08 0.00 0.00 178.44 176.46 2csf h LEU 56 N 0.21 0.00 0.04 1.67 3.38 -0.91 0.16 115.31 119.86 2csf h LEU 56 Ca 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.65 2csf h LEU 56 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2csf h LEU 56 CO -0.67 0.30 -0.02 -0.09 0.09 0.00 0.00 178.44 178.04 2csf h ARG 57 N 0.00 -0.06 0.01 1.13 2.43 0.38 -3.38 114.38 114.89 2csf h ARG 57 Ca -0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2csf h ARG 57 Cb 1.10 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2csf h ARG 57 CO 0.04 0.10 -0.84 -1.49 -1.51 0.00 0.00 179.97 176.28 2csf h TRP 58 N -1.01 0.83 -5.92 2.20 4.06 -0.42 -3.48 115.95 112.21 2csf h TRP 58 Ca -0.01 -0.46 -0.45 0.00 2.06 0.00 0.00 58.89 60.04 2csf h TRP 58 Cb 0.19 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 2csf h TRP 58 CO 0.04 1.29 -0.70 1.63 -3.56 0.00 0.00 178.44 177.13 2csf n LYS 59 N -4.03 -5.20 -1.57 0.49 5.02 0.55 -4.87 118.16 108.55 2csf n LYS 59 Ca -0.11 0.62 -0.43 0.00 -2.02 0.00 0.00 58.31 56.37 2csf n LYS 59 Cb 0.79 -5.49 -0.00 0.00 -0.02 0.00 0.00 35.03 30.30 2csf n LYS 59 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2csf n GLU 60 N -4.46 1.19 -1.78 1.97 0.00 -1.26 -4.82 120.64 111.47 2csf n GLU 60 Ca 0.02 0.42 -0.42 0.00 0.00 0.00 0.00 57.16 57.17 2csf n GLU 60 Cb 0.54 -1.84 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 2csf n GLU 60 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2csf s ASN 61 N -0.70 6.40 0.40 4.31 3.84 -1.26 -4.92 114.94 123.01 2csf s ASN 61 Ca 0.61 2.42 -0.25 0.00 0.21 0.00 0.00 52.86 55.85 2csf s ASN 61 Cb -0.64 -2.53 -0.08 0.00 -0.55 0.00 0.00 41.25 37.45 2csf s ASN 61 CO 0.58 -1.12 1.19 -2.16 -2.79 0.00 0.00 177.10 172.80 2csf s PRO 62 N 4.55 4.02 0.06 0.43 0.04 -1.26 -5.05 135.00 137.79 2csf s PRO 62 Ca 0.85 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 63.50 2csf s PRO 62 Cb -0.38 -2.67 0.07 0.00 0.04 0.00 0.00 34.50 31.55 2csf s PRO 62 CO 0.37 -0.36 0.62 -1.12 0.04 0.00 0.00 177.00 176.55 2csf s SER 63 N -1.09 -0.59 0.00 6.66 0.01 -1.26 -4.85 113.70 112.58 2csf s SER 63 Ca 0.57 0.32 0.16 0.00 1.31 0.00 0.00 55.95 58.31 2csf s SER 63 Cb -0.32 0.56 0.93 0.00 0.21 0.00 0.00 66.02 67.41 2csf s SER 63 CO 0.40 -0.78 1.34 -0.81 0.41 0.00 0.00 173.24 173.80 2csf n PRO 64 N 0.27 0.49 0.03 12.44 -0.04 -1.26 -2.58 135.00 144.36 2csf n PRO 64 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 2csf n PRO 64 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 2csf n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2csf h GLU 65 N 0.00 0.24 -6.25 0.54 4.39 -2.00 -3.44 114.58 108.06 2csf h GLU 65 Ca 0.00 -0.41 -0.59 0.00 0.34 0.00 0.00 59.36 58.71 2csf h GLU 65 Cb 0.00 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 28.72 2csf h GLU 65 CO 0.00 1.08 0.69 1.21 -1.16 0.00 0.00 179.01 180.83 2csf s ASN 66 N -6.91 6.67 -0.02 1.42 3.84 -1.06 -4.95 114.94 113.93 2csf s ASN 66 Ca -0.14 0.53 -0.06 0.00 0.21 0.00 0.00 52.86 53.40 2csf s ASN 66 Cb 0.07 -2.49 -0.03 0.00 -0.55 0.00 0.00 41.25 38.25 2csf s ASN 66 CO 0.82 -0.98 0.45 0.03 -2.79 0.00 0.00 177.10 174.64 2csf h ARG 67 N 8.69 -0.20 -1.26 0.43 2.47 -1.86 0.57 114.38 123.22 2csf h ARG 67 Ca -0.23 0.01 0.36 0.00 -1.26 0.00 0.00 59.98 58.87 2csf h ARG 67 Cb 1.07 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.37 2csf h ARG 67 CO 1.03 -0.13 0.88 1.15 0.56 0.00 0.00 179.97 183.45 2csf h THR 68 N -0.46 0.35 0.00 2.04 2.02 -1.99 0.50 112.91 115.37 2csf h THR 68 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2csf h THR 68 Cb 0.16 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2csf h THR 68 CO 0.03 0.02 -0.09 0.25 0.37 0.00 0.00 175.52 176.10 2csf h LEU 69 N 0.10 0.00 -0.75 2.58 5.85 -1.95 -3.32 115.31 117.82 2csf h LEU 69 Ca 0.65 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.52 2csf h LEU 69 Cb 2.31 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 43.20 2csf h LEU 69 CO -0.12 0.17 -0.15 -0.25 -0.34 0.00 0.00 178.44 177.75 2csf h TRP 70 N -0.24 -0.32 -0.00 1.25 2.91 0.42 0.95 115.95 120.91 2csf h TRP 70 Ca 0.00 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.09 0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 29.00 2csf h TRP 70 CO -0.04 -0.31 -0.01 0.93 -1.03 0.00 0.00 178.44 177.99 2csf h GLU 71 N 0.02 -0.00 0.01 2.65 5.08 -0.12 0.26 114.58 122.47 2csf h GLU 71 Ca 0.37 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2csf h GLU 71 Cb 0.59 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2csf h GLU 71 CO -0.75 -0.00 -0.35 -0.91 -1.00 0.00 0.00 179.01 175.99 2csf h ASN 72 N -0.00 -1.06 0.00 1.42 2.35 -1.54 0.20 115.58 116.95 2csf h ASN 72 Ca 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2csf h ASN 72 Cb 0.01 0.42 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2csf h ASN 72 CO -0.01 -0.41 0.32 -0.07 -1.65 0.00 0.00 177.43 175.61 2csf h LEU 73 N -0.51 0.00 0.05 1.61 3.38 -0.58 0.59 115.31 119.84 2csf h LEU 73 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2csf h LEU 73 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2csf h LEU 73 CO -0.28 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 177.91 2csf h THR 75 N -0.76 1.26 -0.08 0.00 1.03 -0.62 -2.73 112.91 111.00 2csf h THR 75 Ca -0.06 -1.00 -0.05 0.00 -0.01 0.00 0.00 66.41 65.28 2csf h THR 75 Cb 1.25 0.88 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 2csf h THR 75 CO 0.05 0.36 -0.20 0.40 -0.01 0.00 0.00 175.52 176.12 2csf h ILE 76 N 0.76 1.19 -0.08 0.00 2.04 -1.50 -2.25 117.51 117.66 2csf h ILE 76 Ca 0.16 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 2csf h ILE 76 Cb 0.45 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2csf h ILE 76 CO 0.02 0.26 -0.23 -0.09 0.00 0.00 0.00 178.15 178.10 2csf h ARG 77 N 0.13 0.14 0.01 2.37 9.65 -1.29 -2.57 114.38 122.82 2csf h ARG 77 Ca 0.02 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.66 2csf h ARG 77 Cb 0.43 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2csf h ARG 77 CO 0.03 0.37 -0.90 0.00 2.80 0.00 0.00 179.97 182.27 2csf h ARG 78 N 0.13 0.20 -0.52 0.20 3.08 -1.29 -3.17 114.38 113.00 2csf h ARG 78 Ca 0.02 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2csf h ARG 78 Cb 0.49 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2csf h ARG 78 CO 0.03 0.97 0.28 0.35 -1.07 0.00 0.00 179.97 180.54 2csf h PHE 79 N 0.11 0.71 -0.21 3.04 3.04 -1.22 -2.37 116.94 120.05 2csf h PHE 79 Ca -0.05 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.84 2csf h PHE 79 Cb 1.54 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 2csf h PHE 79 CO 0.03 0.53 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.70 2csf h LEU 80 N 0.69 0.30 -2.33 0.59 3.38 -1.57 -1.89 115.31 114.48 2csf h LEU 80 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2csf h LEU 80 Cb 0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2csf h LEU 80 CO -0.03 0.41 -0.03 0.78 0.09 0.00 0.00 178.44 179.67 2csf h ASN 81 N 0.31 0.00 -4.11 -0.43 2.35 -1.40 -3.43 115.58 108.87 2csf h ASN 81 Ca 0.07 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.28 2csf h ASN 81 Cb 0.33 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.83 2csf h ASN 81 CO 0.02 0.03 0.47 -0.76 -1.65 0.00 0.00 177.43 175.53 2csf s LEU 82 N -7.66 3.61 0.61 1.61 1.43 -0.71 -4.99 118.68 112.58 2csf s LEU 82 Ca -0.05 2.42 -0.17 0.00 -1.03 0.00 0.00 54.13 55.30 2csf s LEU 82 Cb 0.15 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 2csf s LEU 82 CO 0.56 -1.73 1.12 -2.16 0.23 0.00 0.00 176.35 174.37 2csf s PRO 83 N -3.42 3.02 0.29 1.29 0.04 -1.26 -4.70 135.00 130.26 2csf s PRO 83 Ca 0.78 1.48 0.04 0.00 0.04 0.00 0.00 61.00 63.34 2csf s PRO 83 Cb -0.31 -1.97 0.70 0.00 0.04 0.00 0.00 34.50 32.96 2csf s PRO 83 CO 0.36 -1.09 1.75 0.37 0.04 0.00 0.00 177.00 178.43 2csf h GLN 84 N 0.50 0.62 0.00 4.56 4.15 -1.94 0.60 115.11 123.60 2csf h GLN 84 Ca -0.48 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 2csf h GLN 84 Cb 1.25 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.80 2csf h GLN 84 CO 0.55 0.41 -0.07 1.12 -1.93 0.00 0.00 178.83 178.92 2csf h HIS 85 N 0.64 0.00 0.00 3.99 2.07 -1.99 -1.69 115.15 118.17 2csf h HIS 85 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 2csf h HIS 85 Cb 0.90 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.88 2csf h HIS 85 CO -0.05 0.07 -0.07 0.93 -3.07 0.00 0.00 177.93 175.73 2csf h GLU 86 N 0.00 0.00 -0.95 5.12 4.39 -0.21 -3.26 114.58 119.67 2csf h GLU 86 Ca -0.00 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.99 2csf h GLU 86 Cb 0.19 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.69 2csf h GLU 86 CO 0.01 0.00 0.41 0.00 -1.16 0.00 0.00 179.01 178.27 2csf h ARG 87 N -0.31 0.24 -0.41 2.33 3.08 -1.24 1.07 114.38 119.13 2csf h ARG 87 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2csf h ARG 87 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2csf h ARG 87 CO 0.00 0.16 0.24 -0.44 -1.07 0.00 0.00 179.97 178.86 2csf h ASP 88 N 0.24 0.49 -0.12 7.04 5.19 -1.48 -2.37 116.42 125.41 2csf h ASP 88 Ca 0.66 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 57.01 2csf h ASP 88 Cb 1.47 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 2csf h ASP 88 CO -0.65 0.38 -0.09 0.58 -3.12 0.00 0.00 179.24 176.34 2csf h VAL 89 N 0.57 1.34 -0.22 -1.35 2.07 0.11 -2.37 116.25 116.41 2csf h VAL 89 Ca 0.15 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2csf h VAL 89 Cb -0.01 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2csf h VAL 89 CO -0.03 0.35 -0.08 0.40 0.02 0.00 0.00 177.57 178.23 2csf h ILE 90 N -0.11 0.72 -0.66 4.57 2.04 -1.04 0.61 117.51 123.64 2csf h ILE 90 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2csf h ILE 90 Cb 0.59 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2csf h ILE 90 CO 0.02 0.00 0.42 1.88 0.00 0.00 0.00 178.15 180.47 2csf h TYR 91 N -0.04 0.79 0.62 1.37 0.05 -1.48 0.06 116.97 118.35 2csf h TYR 91 Ca 0.11 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 2csf h TYR 91 Cb 0.21 -0.26 0.01 0.00 1.01 0.00 0.00 36.73 37.69 2csf h TYR 91 CO -0.25 0.47 -0.30 0.93 -1.05 0.00 0.00 178.16 177.96 2csf h GLU 92 N 0.84 -0.81 -0.47 4.88 4.39 -0.84 0.57 114.58 123.14 2csf h GLU 92 Ca 0.26 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.08 2csf h GLU 92 Cb -0.03 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2csf h GLU 92 CO -0.08 -0.52 0.14 0.93 -1.16 0.00 0.00 179.01 178.32 2csf h GLU 93 N -0.89 0.29 0.00 2.33 5.08 -0.77 -2.96 114.58 117.67 2csf h GLU 93 Ca -0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2csf h GLU 93 Cb 0.66 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2csf h GLU 93 CO 0.14 0.19 0.00 -1.91 -1.00 0.00 0.00 179.01 176.43 2csf n GLU 94 N -5.04 0.00 -3.85 2.33 4.07 -0.00 -4.56 120.64 113.59 2csf n GLU 94 Ca 0.04 0.44 -0.35 0.00 -0.06 0.00 0.00 57.16 57.24 2csf n GLU 94 Cb 0.20 -1.42 -0.13 0.00 -0.06 0.00 0.00 31.44 30.03 2csf n GLU 94 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2csf s SER 95 N -2.04 5.07 1.27 4.31 0.15 0.18 -5.09 113.70 117.55 2csf s SER 95 Ca 0.00 -1.67 -0.16 0.00 0.70 0.00 0.00 55.95 54.82 2csf s SER 95 Cb 0.00 -1.77 0.32 0.00 -1.71 0.00 0.00 66.02 62.87 2csf s SER 95 CO 0.00 -0.40 0.98 -0.55 1.20 0.00 0.00 173.24 174.47 2csf s SER 96 N 1.49 0.11 0.00 5.45 0.15 -1.12 -4.35 113.70 115.43 2csf s SER 96 Ca 0.02 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2csf s SER 96 Cb -0.21 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2csf s SER 96 CO -0.03 -4.71 0.00 0.61 1.20 0.00 0.00 173.24 170.31 2csf n GLY 97 N 1.16 4.58 0.26 9.45 0.00 -1.26 -4.99 105.19 114.39 2csf n GLY 97 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2csf n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2csf h PRO 98 N 0.00 0.91 -5.70 1.61 0.13 -2.02 -3.47 132.00 123.45 2csf h PRO 98 Ca 0.00 -0.48 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 2csf h PRO 98 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2csf h PRO 98 CO 0.00 1.13 -0.66 0.43 -0.23 0.00 0.00 178.00 178.67 2csf n SER 99 N -4.06 -4.59 -3.65 1.44 7.64 -1.26 -4.95 113.62 104.20 2csf n SER 99 Ca -0.02 -0.56 -0.22 0.00 1.01 0.00 0.00 58.87 59.08 2csf n SER 99 Cb 0.54 -3.71 -0.17 0.00 -1.01 0.00 0.00 64.21 59.86 2csf n SER 99 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2csf s SER 100 N -2.98 1.49 0.00 6.43 0.15 -1.26 -5.06 113.70 112.46 2csf s SER 100 Ca 0.51 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2csf s SER 100 Cb -0.26 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2csf s SER 100 CO 0.63 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.40