#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csf n SER 2 N 0.00 0.08 -3.52 1.61 2.88 -1.26 -4.59 113.62 108.83 2csf n SER 2 Ca 0.00 1.37 -0.16 0.00 -1.33 0.00 0.00 58.87 58.75 2csf n SER 2 Cb 0.00 -0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 62.81 2csf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2csf s SER 3 N -4.82 1.07 -0.28 -3.46 0.01 -1.26 -5.15 113.70 99.81 2csf s SER 3 Ca -0.09 -1.56 0.01 0.00 1.31 0.00 0.00 55.95 55.61 2csf s SER 3 Cb 0.26 0.56 0.15 0.00 0.21 0.00 0.00 66.02 67.20 2csf s SER 3 CO 0.64 -1.09 0.39 -0.83 0.41 0.00 0.00 173.24 172.76 2csf s GLY 4 N -3.27 -0.51 0.28 3.44 0.00 -1.26 -5.15 107.32 100.85 2csf s GLY 4 Ca 0.36 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.37 2csf s GLY 4 CO 0.22 2.95 0.32 -0.56 0.00 0.00 0.00 173.10 176.02 2csf s SER 5 N 2.53 0.73 0.09 1.64 0.01 -1.26 -5.15 113.70 112.28 2csf s SER 5 Ca 0.10 -1.45 -0.22 0.00 1.31 0.00 0.00 55.95 55.69 2csf s SER 5 Cb -0.13 0.54 -0.07 0.00 0.21 0.00 0.00 66.02 66.57 2csf s SER 5 CO -0.28 -1.07 0.67 -0.94 0.41 0.00 0.00 173.24 172.03 2csf s SER 6 N -3.22 7.19 0.09 2.44 1.04 -1.26 -4.88 113.70 115.10 2csf s SER 6 Ca 0.35 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2csf s SER 6 Cb 0.03 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2csf s SER 6 CO 0.18 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2csf n GLY 7 N 1.88 -3.27 3.71 7.32 0.00 -1.26 -5.00 105.19 108.57 2csf n GLY 7 Ca -0.07 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2csf n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2csf s PRO 8 N -5.59 1.06 0.27 1.61 0.04 -1.26 -5.00 135.00 126.13 2csf s PRO 8 Ca 0.00 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 2csf s PRO 8 Cb 0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 2csf s PRO 8 CO 0.00 -2.36 1.02 0.42 0.04 0.00 0.00 177.00 176.12 2csf s ILE 9 N -2.94 3.77 -0.24 0.56 1.01 -1.26 -4.93 121.20 117.17 2csf s ILE 9 Ca 0.64 1.75 -0.41 0.00 0.00 0.00 0.00 60.65 62.63 2csf s ILE 9 Cb -0.18 -4.10 -0.17 0.00 0.01 0.00 0.00 42.46 38.02 2csf s ILE 9 CO 0.57 0.39 1.57 2.29 0.00 0.00 0.00 174.94 179.76 2csf n LYS 10 N 1.22 0.76 -4.43 2.79 2.85 -1.26 -4.94 118.16 115.15 2csf n LYS 10 Ca -0.01 0.28 -0.34 0.00 -1.05 0.00 0.00 58.31 57.19 2csf n LYS 10 Cb 0.46 -1.89 -0.10 0.00 -0.65 0.00 0.00 35.03 32.85 2csf n LYS 10 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2csf s VAL 11 N 2.52 4.09 -0.30 0.58 1.01 -1.26 -5.10 120.40 121.95 2csf s VAL 11 Ca 0.97 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 2csf s VAL 11 Cb -1.17 -2.73 0.17 0.00 0.00 0.00 0.00 36.38 32.64 2csf s VAL 11 CO 0.66 0.55 1.07 -0.62 0.00 0.00 0.00 175.10 176.75 2csf s ASP 12 N -1.03 -0.41 0.18 3.32 -1.08 -1.26 -5.13 116.67 111.26 2csf s ASP 12 Ca 0.15 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 2csf s ASP 12 Cb -0.11 1.36 0.00 0.00 -1.46 0.00 0.00 42.92 42.70 2csf s ASP 12 CO 0.04 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.25 2csf n GLY 13 N 4.30 -4.50 3.58 2.66 0.00 -1.26 -4.64 105.19 105.32 2csf n GLY 13 Ca -0.12 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.01 1.40 0.27 4.61 0.00 -1.26 -4.80 121.76 120.97 2csf s ALA 14 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 51.96 49.93 2csf s ALA 14 Cb 0.00 -4.66 0.02 0.00 0.00 0.00 0.00 23.12 18.48 2csf s ALA 14 CO 0.00 -5.61 0.72 -0.80 0.00 0.00 0.00 175.76 170.07 2csf s ASN 15 N 7.47 -0.27 0.01 0.00 0.01 -1.26 -5.15 114.94 115.75 2csf s ASN 15 Ca 0.73 -0.58 -0.29 0.00 -0.71 0.00 0.00 52.86 52.02 2csf s ASN 15 Cb -0.03 0.72 -0.04 0.00 0.41 0.00 0.00 41.25 42.31 2csf s ASN 15 CO 0.12 -1.32 0.91 -0.63 -1.51 0.00 0.00 177.10 174.67 2csf s ILE 16 N -3.89 4.82 -0.48 0.60 1.01 -1.26 -5.02 121.20 116.98 2csf s ILE 16 Ca 0.11 1.93 -0.15 0.00 0.00 0.00 0.00 60.65 62.53 2csf s ILE 16 Cb -0.06 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.24 2csf s ILE 16 CO 0.06 0.22 0.40 0.21 0.00 0.00 0.00 174.94 175.83 2csf s ASN 17 N 0.71 6.12 0.06 3.58 3.84 -1.26 -5.06 114.94 122.94 2csf s ASN 17 Ca 0.48 -1.42 -0.26 0.00 0.21 0.00 0.00 52.86 51.87 2csf s ASN 17 Cb -0.21 -2.17 -0.06 0.00 -0.55 0.00 0.00 41.25 38.26 2csf s ASN 17 CO 0.26 -0.68 0.79 -0.63 -2.79 0.00 0.00 177.10 174.06 2csf s ILE 18 N 1.62 4.67 0.07 -5.21 -1.09 -1.26 -5.06 121.20 114.94 2csf s ILE 18 Ca 0.04 1.69 0.02 0.00 -2.23 0.00 0.00 60.65 60.17 2csf s ILE 18 Cb -0.25 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 2csf s ILE 18 CO 0.06 0.37 -0.07 0.42 -1.23 0.00 0.00 174.94 174.49 2csf s THR 19 N -0.13 0.60 0.41 2.92 -4.23 -1.26 -4.76 115.64 109.20 2csf s THR 19 Ca 0.39 -1.48 0.24 0.00 -1.18 0.00 0.00 61.69 59.66 2csf s THR 19 Cb -0.21 -1.11 0.43 0.00 1.34 0.00 0.00 72.50 72.95 2csf s THR 19 CO 0.24 -0.62 1.67 0.00 -0.54 0.00 0.00 174.62 175.38 2csf h ALA 20 N 3.78 2.46 -1.09 3.99 0.00 -1.89 0.38 119.26 126.89 2csf h ALA 20 Ca -0.36 0.11 0.31 0.00 0.00 0.00 0.00 54.91 54.98 2csf h ALA 20 Cb 1.18 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 2csf h ALA 20 CO 0.52 -1.02 0.68 0.00 0.00 0.00 0.00 179.25 179.43 2csf h ALA 21 N 1.65 2.23 -1.26 0.00 0.00 -1.98 0.82 119.26 120.71 2csf h ALA 21 Ca 0.74 0.11 0.45 0.00 0.00 0.00 0.00 54.91 56.21 2csf h ALA 21 Cb 2.10 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 19.84 2csf h ALA 21 CO -0.41 -0.74 0.78 0.97 0.00 0.00 0.00 179.25 179.85 2csf h ILE 22 N 0.33 0.03 -0.13 0.00 2.10 -0.65 0.77 117.51 119.96 2csf h ILE 22 Ca 0.68 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.61 2csf h ILE 22 Cb 1.75 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2csf h ILE 22 CO -0.42 0.00 0.05 1.88 -1.08 0.00 0.00 178.15 178.59 2csf h TYR 23 N 0.02 0.20 0.09 2.19 0.05 -1.03 -2.61 116.97 115.87 2csf h TYR 23 Ca 0.86 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.63 2csf h TYR 23 Cb 2.62 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 40.30 2csf h TYR 23 CO -0.01 0.29 -0.08 -0.44 -1.05 0.00 0.00 178.16 176.87 2csf h ASP 24 N 0.05 -0.22 -1.01 3.88 3.32 0.39 -2.27 116.42 120.56 2csf h ASP 24 Ca 0.04 0.02 0.22 0.00 0.02 0.00 0.00 57.03 57.34 2csf h ASP 24 Cb 0.18 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.70 2csf h ASP 24 CO -0.00 -0.13 0.62 -0.33 -1.72 0.00 0.00 179.24 177.67 2csf h GLU 25 N -0.19 0.60 -0.51 3.56 5.08 -1.31 0.96 114.58 122.78 2csf h GLU 25 Ca 0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2csf h GLU 25 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2csf h GLU 25 CO -0.02 0.39 0.07 0.82 -1.00 0.00 0.00 179.01 179.27 2csf h ILE 26 N 0.61 1.25 -0.63 3.13 2.04 -1.03 0.16 117.51 123.05 2csf h ILE 26 Ca 0.60 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2csf h ILE 26 Cb 1.14 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2csf h ILE 26 CO -0.39 0.34 0.39 1.56 0.00 0.00 0.00 178.15 180.05 2csf h GLN 27 N 0.72 0.84 -0.01 2.37 4.20 -0.35 -2.63 115.11 120.25 2csf h GLN 27 Ca 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2csf h GLN 27 Cb 0.41 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2csf h GLN 27 CO 0.01 0.59 -0.02 1.96 -0.67 0.00 0.00 178.83 180.70 2csf h GLN 28 N 0.85 0.02 -1.18 1.46 4.20 -1.18 -3.19 115.11 116.09 2csf h GLN 28 Ca 0.23 -0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.28 2csf h GLN 28 Cb -0.05 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.61 2csf h GLN 28 CO -0.04 0.63 0.75 1.49 -0.67 0.00 0.00 178.83 180.98 2csf h GLU 29 N -0.58 0.21 0.32 1.46 4.57 -0.60 0.40 114.58 120.36 2csf h GLU 29 Ca -0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2csf h GLU 29 Cb 0.63 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2csf h GLU 29 CO 0.00 0.14 -0.15 0.52 -1.18 0.00 0.00 179.01 178.34 2csf h MET 30 N 0.22 -0.41 0.00 1.92 2.86 -1.46 0.52 114.93 118.57 2csf h MET 30 Ca 0.73 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 58.35 2csf h MET 30 Cb 2.09 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.83 2csf h MET 30 CO -0.40 -0.16 -0.21 1.57 1.06 0.00 0.00 176.91 178.77 2csf h LYS 31 N -0.62 0.00 0.18 1.72 5.09 -0.80 1.09 116.57 123.24 2csf h LYS 31 Ca -0.04 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.39 2csf h LYS 31 Cb 0.44 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.79 2csf h LYS 31 CO 0.07 0.21 -1.38 -0.09 -2.09 0.00 0.00 179.45 176.17 2csf h ARG 32 N 0.00 0.38 0.00 0.07 9.65 -0.13 -3.30 114.38 121.04 2csf h ARG 32 Ca -0.00 -0.64 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 2csf h ARG 32 Cb 0.53 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2csf h ARG 32 CO 0.03 1.30 -0.80 0.00 2.80 0.00 0.00 179.97 183.29 2csf n ALA 33 N -2.63 3.66 -2.86 2.80 0.00 0.18 -4.98 120.51 116.68 2csf n ALA 33 Ca -0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 2csf n ALA 33 Cb 1.06 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.72 -3.45 -4.51 0.00 4.76 0.36 -5.01 118.16 108.58 2csf n LYS 34 Ca 0.04 0.39 -0.24 0.00 -2.87 0.00 0.00 58.31 55.63 2csf n LYS 34 Cb 0.38 -4.08 -0.10 0.00 -1.84 0.00 0.00 35.03 29.39 2csf n LYS 34 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2csf s VAL 35 N -3.16 1.33 0.27 -0.18 -7.23 0.07 -4.69 120.40 106.81 2csf s VAL 35 Ca 0.15 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2csf s VAL 35 Cb -0.07 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2csf s VAL 35 CO 0.34 0.00 0.26 -0.55 -0.31 0.00 0.00 175.10 174.84 2csf s SER 36 N -3.57 5.68 0.46 4.85 0.15 -1.26 -4.50 113.70 115.51 2csf s SER 36 Ca 0.34 -0.22 0.25 0.00 0.70 0.00 0.00 55.95 57.02 2csf s SER 36 Cb 0.08 -1.42 1.27 0.00 -1.71 0.00 0.00 66.02 64.24 2csf s SER 36 CO 0.15 -0.12 1.80 1.56 1.20 0.00 0.00 173.24 177.84 2csf h GLN 37 N 1.35 0.23 -0.01 5.44 4.20 -1.96 0.17 115.11 124.52 2csf h GLN 37 Ca -0.48 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 2csf h GLN 37 Cb 1.24 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 2csf h GLN 37 CO 0.60 0.15 -0.00 0.00 -0.67 0.00 0.00 178.83 178.91 2csf h ALA 38 N 1.56 0.01 0.59 3.87 0.00 -1.93 -2.13 119.26 121.23 2csf h ALA 38 Ca 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2csf h ALA 38 Cb 1.70 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.49 2csf h ALA 38 CO -0.17 -0.29 -0.28 1.25 0.00 0.00 0.00 179.25 179.76 2csf h LEU 39 N -0.36 -0.67 -1.01 0.00 7.12 -1.39 0.43 115.31 119.43 2csf h LEU 39 Ca 0.00 0.02 0.29 0.00 0.13 0.00 0.00 57.88 58.33 2csf h LEU 39 Cb 0.39 0.17 -0.14 0.00 -0.53 0.00 0.00 40.66 40.56 2csf h LEU 39 CO 0.00 -0.48 0.58 0.15 -0.13 0.00 0.00 178.44 178.57 2csf h PHE 40 N -0.80 0.96 0.00 1.25 3.04 -1.38 1.35 116.94 121.36 2csf h PHE 40 Ca -0.08 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 2csf h PHE 40 Cb 0.61 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 2csf h PHE 40 CO 0.10 -0.08 -0.12 0.00 -2.02 0.00 0.00 178.31 176.19 2csf h ALA 41 N 1.80 0.94 0.00 2.41 0.00 -1.17 0.11 119.26 123.35 2csf h ALA 41 Ca 0.70 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.34 2csf h ALA 41 Cb 1.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2csf h ALA 41 CO -0.55 0.15 -0.91 -0.22 0.00 0.00 0.00 179.25 177.71 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.63 1.07 116.57 121.38 2csf h LYS 42 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2csf h LYS 42 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 2csf h LYS 42 CO 0.02 0.57 -1.67 1.33 -2.81 0.00 0.00 179.45 176.89 2csf n VAL 43 N -3.17 0.00 -0.04 2.00 0.24 0.62 -3.31 118.33 114.67 2csf n VAL 43 Ca -0.02 -0.35 -0.03 0.00 -2.04 0.00 0.00 64.34 61.89 2csf n VAL 43 Cb 0.83 0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.01 0.26 0.71 2.33 0.00 0.37 -4.69 120.51 117.47 2csf n ALA 44 Ca -0.02 -0.31 0.07 0.00 0.00 0.00 0.00 53.44 53.18 2csf n ALA 44 Cb 0.47 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -3.03 3.84 -1.84 0.00 0.00 -0.97 -4.44 120.51 114.07 2csf n ALA 45 Ca -0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 2csf n ALA 45 Cb 0.15 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.18 -4.46 -4.85 0.00 2.85 0.34 -4.96 115.26 103.01 2csf n ASN 46 Ca 0.03 0.16 -0.21 0.00 -0.11 0.00 0.00 54.58 54.46 2csf n ASN 46 Cb 0.25 -3.41 0.08 0.00 1.24 0.00 0.00 39.78 37.95 2csf n ASN 46 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2csf n LYS 47 N -2.46 0.38 -3.34 1.20 4.76 0.25 -4.84 118.16 114.11 2csf n LYS 47 Ca -0.15 -3.03 -0.35 0.00 -2.87 0.00 0.00 58.31 51.91 2csf n LYS 47 Cb 0.54 -0.37 -0.06 0.00 -1.84 0.00 0.00 35.03 33.30 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 -4.78 6.80 0.19 4.39 0.01 -1.26 -3.82 113.70 115.22 2csf s SER 48 Ca 0.63 1.08 -0.18 0.00 1.31 0.00 0.00 55.95 58.79 2csf s SER 48 Cb -0.05 -2.29 0.15 0.00 0.21 0.00 0.00 66.02 64.05 2csf s SER 48 CO 0.41 0.05 1.34 1.67 0.41 0.00 0.00 173.24 177.12 2csf n GLN 49 N 0.56 -0.24 -0.34 12.44 7.27 -1.26 0.13 117.38 135.94 2csf n GLN 49 Ca -0.04 1.33 0.28 0.00 0.07 0.00 0.00 57.00 58.64 2csf n GLN 49 Cb 0.52 -1.97 0.53 0.00 2.41 0.00 0.00 30.24 31.73 2csf n GLN 49 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2csf h GLY 50 N 0.00 2.08 1.69 1.69 0.00 -1.94 1.33 103.07 107.92 2csf h GLY 50 Ca 0.27 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 2csf h GLY 50 CO -0.85 -0.60 -0.37 -0.25 0.00 0.00 0.00 176.54 174.47 2csf h TRP 51 N 0.18 0.40 0.00 5.60 7.01 0.66 -2.84 115.95 126.97 2csf h TRP 51 Ca 0.79 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.68 2csf h TRP 51 Cb 1.97 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.94 2csf h TRP 51 CO -0.01 0.67 -0.08 1.25 -2.79 0.00 0.00 178.44 177.48 2csf h LEU 52 N 0.30 0.00 -0.92 0.65 7.12 0.17 -3.27 115.31 119.36 2csf h LEU 52 Ca 0.03 -0.20 0.17 0.00 0.13 0.00 0.00 57.88 58.01 2csf h LEU 52 Cb 0.79 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.75 2csf h LEU 52 CO 0.06 0.65 -0.28 0.00 -0.13 0.00 0.00 178.44 178.74 2csf h GLU 54 N -0.01 -0.46 -0.97 0.00 5.08 -1.66 -0.22 114.58 116.34 2csf h GLU 54 Ca 0.40 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 59.10 2csf h GLU 54 Cb 0.65 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.83 2csf h GLU 54 CO -0.94 -0.31 0.21 -0.07 -1.00 0.00 0.00 179.01 176.90 2csf h LEU 55 N -0.48 -0.16 -0.53 1.33 4.07 -0.91 1.98 115.31 120.62 2csf h LEU 55 Ca 0.07 0.26 -0.10 0.00 0.08 0.00 0.00 57.88 58.19 2csf h LEU 55 Cb 0.59 0.38 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2csf h LEU 55 CO -0.32 -0.33 -0.48 -0.07 -1.08 0.00 0.00 178.44 176.16 2csf h LEU 56 N 0.05 0.00 0.19 1.67 3.38 -0.98 0.33 115.31 119.95 2csf h LEU 56 Ca 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.62 2csf h LEU 56 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2csf h LEU 56 CO -0.83 0.48 -0.09 -0.09 0.09 0.00 0.00 178.44 178.00 2csf h ARG 57 N 0.00 -0.24 0.05 1.13 2.43 0.46 -3.38 114.38 114.82 2csf h ARG 57 Ca -0.00 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2csf h ARG 57 Cb 1.15 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2csf h ARG 57 CO 0.06 -0.08 -0.49 -1.49 -1.51 0.00 0.00 179.97 176.46 2csf h TRP 58 N -1.05 0.40 -5.90 2.20 4.06 -0.33 -3.48 115.95 111.85 2csf h TRP 58 Ca -0.03 -0.25 -0.38 0.00 2.06 0.00 0.00 58.89 60.29 2csf h TRP 58 Cb 0.27 -0.03 0.10 0.00 -1.00 0.00 0.00 29.16 28.51 2csf h TRP 58 CO 0.02 1.13 -0.78 1.63 -3.56 0.00 0.00 178.44 176.88 2csf n LYS 59 N -4.32 -6.06 -0.64 0.49 5.02 0.12 -4.94 118.16 107.82 2csf n LYS 59 Ca -0.11 0.74 -0.28 0.00 -2.02 0.00 0.00 58.31 56.63 2csf n LYS 59 Cb 0.65 -5.58 0.16 0.00 -0.02 0.00 0.00 35.03 30.24 2csf n LYS 59 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2csf n GLU 60 N -4.34 -1.78 -3.03 1.97 4.71 -1.26 -4.89 120.64 112.02 2csf n GLU 60 Ca -0.23 -0.51 -0.42 0.00 -0.01 0.00 0.00 57.16 55.98 2csf n GLU 60 Cb 0.65 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.45 2csf n GLU 60 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2csf s ASN 61 N -1.84 6.43 0.36 1.62 2.47 -1.26 -4.87 114.94 117.85 2csf s ASN 61 Ca 0.48 0.03 -0.27 0.00 0.42 0.00 0.00 52.86 53.52 2csf s ASN 61 Cb -0.08 -2.36 -0.09 0.00 -1.45 0.00 0.00 41.25 37.27 2csf s ASN 61 CO 0.55 -0.75 1.21 -2.16 -3.72 0.00 0.00 177.10 172.22 2csf s PRO 62 N 2.99 4.25 0.03 0.43 0.04 -1.26 -5.01 135.00 136.48 2csf s PRO 62 Ca 0.27 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 2csf s PRO 62 Cb -0.13 -2.90 0.09 0.00 0.04 0.00 0.00 34.50 31.60 2csf s PRO 62 CO 0.18 -0.19 0.79 -1.12 0.04 0.00 0.00 177.00 176.70 2csf s SER 63 N -0.86 -0.45 0.00 6.66 0.01 -1.26 -4.86 113.70 112.93 2csf s SER 63 Ca 0.52 0.08 0.14 0.00 1.31 0.00 0.00 55.95 58.00 2csf s SER 63 Cb -0.34 0.46 0.84 0.00 0.21 0.00 0.00 66.02 67.19 2csf s SER 63 CO 0.44 -0.71 1.26 -0.81 0.41 0.00 0.00 173.24 173.83 2csf n PRO 64 N -0.14 0.49 0.01 12.44 -0.04 -1.26 -2.58 135.00 143.91 2csf n PRO 64 Ca -0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 2csf n PRO 64 Cb 0.62 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.22 -6.27 0.54 5.08 -1.98 -3.44 114.58 108.72 2csf h GLU 65 Ca 0.00 -0.37 -0.59 0.00 -1.00 0.00 0.00 59.36 57.40 2csf h GLU 65 Cb 0.00 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 2csf h GLU 65 CO 0.00 1.06 0.70 1.21 -1.00 0.00 0.00 179.01 180.98 2csf s ASN 66 N -6.85 6.49 -0.01 1.42 3.84 -1.07 -4.94 114.94 113.83 2csf s ASN 66 Ca -0.17 0.09 -0.09 0.00 0.21 0.00 0.00 52.86 52.90 2csf s ASN 66 Cb 0.07 -2.48 -0.05 0.00 -0.55 0.00 0.00 41.25 38.23 2csf s ASN 66 CO 0.79 -1.19 0.63 0.03 -2.79 0.00 0.00 177.10 174.58 2csf h ARG 67 N 9.22 -0.32 -1.27 0.43 2.47 -1.86 0.85 114.38 123.90 2csf h ARG 67 Ca -0.24 0.02 0.38 0.00 -1.26 0.00 0.00 59.98 58.88 2csf h ARG 67 Cb 1.07 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 29.36 2csf h ARG 67 CO 1.08 -0.21 0.85 1.15 0.56 0.00 0.00 179.97 183.40 2csf h THR 68 N -0.58 0.28 0.00 2.04 2.02 -1.99 0.57 112.91 115.25 2csf h THR 68 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2csf h THR 68 Cb 0.25 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2csf h THR 68 CO 0.06 0.03 -0.09 0.25 0.37 0.00 0.00 175.52 176.14 2csf h LEU 69 N 0.16 0.00 -0.79 2.58 5.85 -1.95 -3.30 115.31 117.86 2csf h LEU 69 Ca 0.72 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.60 2csf h LEU 69 Cb 2.30 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.18 2csf h LEU 69 CO -0.27 0.17 -0.18 -0.25 -0.34 0.00 0.00 178.44 177.56 2csf h TRP 70 N -0.25 -0.40 -0.01 1.25 2.91 0.10 0.19 115.95 119.75 2csf h TRP 70 Ca 0.00 0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.10 2csf h TRP 70 Cb 0.09 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 2csf h TRP 70 CO -0.04 -0.34 -0.15 0.93 -1.03 0.00 0.00 178.44 177.81 2csf h GLU 71 N 0.00 -0.17 -0.19 2.65 5.08 0.01 0.52 114.58 122.48 2csf h GLU 71 Ca 0.38 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.81 2csf h GLU 71 Cb 0.59 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 2csf h GLU 71 CO -0.81 -0.12 -0.22 -0.91 -1.00 0.00 0.00 179.01 175.95 2csf h ASN 72 N -0.18 -0.70 -0.15 1.42 2.35 -1.45 0.15 115.58 117.01 2csf h ASN 72 Ca 0.01 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 2csf h ASN 72 Cb 0.20 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2csf h ASN 72 CO -0.11 -0.27 0.23 -0.07 -1.65 0.00 0.00 177.43 175.57 2csf h LEU 73 N -0.25 0.00 -0.16 1.61 3.38 -0.37 -0.82 115.31 118.70 2csf h LEU 73 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2csf h LEU 73 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2csf h LEU 73 CO -0.33 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 177.95 2csf h THR 75 N 0.07 1.30 0.00 0.00 1.03 -0.81 -2.84 112.91 111.67 2csf h THR 75 Ca 0.01 -1.51 -0.11 0.00 -0.01 0.00 0.00 66.41 64.79 2csf h THR 75 Cb 0.82 1.54 -0.02 0.00 -1.07 0.00 0.00 68.15 69.43 2csf h THR 75 CO 0.06 0.47 -0.52 0.40 -0.01 0.00 0.00 175.52 175.92 2csf h ILE 76 N 0.42 1.13 -0.31 0.00 2.04 -1.37 -3.10 117.51 116.32 2csf h ILE 76 Ca 0.04 -1.94 -0.16 0.00 1.00 0.00 0.00 64.86 63.80 2csf h ILE 76 Cb 0.85 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2csf h ILE 76 CO 0.07 0.51 -0.43 -0.09 0.00 0.00 0.00 178.15 178.21 2csf h ARG 77 N 0.00 0.78 0.00 2.37 9.65 -1.03 -2.95 114.38 123.21 2csf h ARG 77 Ca -0.01 -0.43 -0.08 0.00 -1.10 0.00 0.00 59.98 58.37 2csf h ARG 77 Cb 1.08 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2csf h ARG 77 CO 0.07 1.05 -0.36 0.00 2.80 0.00 0.00 179.97 183.53 2csf h ARG 78 N 0.63 0.00 0.21 0.20 3.08 -1.46 -2.95 114.38 114.09 2csf h ARG 78 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2csf h ARG 78 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2csf h ARG 78 CO 0.10 0.36 -0.10 0.35 -1.07 0.00 0.00 179.97 179.60 2csf h PHE 79 N 0.00 -0.27 -0.20 3.04 3.04 -1.45 -2.90 116.94 118.21 2csf h PHE 79 Ca -0.00 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.99 2csf h PHE 79 Cb 0.69 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 2csf h PHE 79 CO 0.00 0.02 0.14 -0.07 -2.02 0.00 0.00 178.31 176.38 2csf h LEU 80 N -0.54 0.04 -1.49 0.59 3.38 -1.49 0.52 115.31 116.31 2csf h LEU 80 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2csf h LEU 80 Cb 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2csf h LEU 80 CO 0.05 0.03 0.00 0.78 0.09 0.00 0.00 178.44 179.39 2csf h ASN 81 N 0.05 0.00 -4.16 -0.43 2.35 -1.33 -3.43 115.58 108.63 2csf h ASN 81 Ca 0.09 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.36 2csf h ASN 81 Cb 0.30 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.72 2csf h ASN 81 CO -0.01 0.00 0.38 -0.76 -1.65 0.00 0.00 177.43 175.39 2csf s LEU 82 N -4.76 3.62 0.47 1.61 1.43 0.17 -5.02 118.68 116.21 2csf s LEU 82 Ca -0.01 1.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 2csf s LEU 82 Cb 0.08 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2csf s LEU 82 CO 0.27 -0.99 1.16 -2.16 0.23 0.00 0.00 176.35 174.85 2csf s PRO 83 N -3.80 3.69 0.29 1.29 0.04 -1.26 -4.73 135.00 130.53 2csf s PRO 83 Ca 0.64 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.46 2csf s PRO 83 Cb -0.16 -2.34 0.72 0.00 0.04 0.00 0.00 34.50 32.76 2csf s PRO 83 CO 0.31 -0.60 1.64 0.37 0.04 0.00 0.00 177.00 178.76 2csf h GLN 84 N 1.92 0.18 -0.19 4.56 5.75 -1.95 1.09 115.11 126.47 2csf h GLN 84 Ca -0.49 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 2csf h GLN 84 Cb 1.25 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2csf h GLN 84 CO 0.60 0.12 0.13 1.12 -2.65 0.00 0.00 178.83 178.14 2csf h HIS 85 N 0.18 0.15 0.06 3.99 2.07 -1.99 -1.83 115.15 117.78 2csf h HIS 85 Ca 0.56 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.08 2csf h HIS 85 Cb 1.14 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.07 2csf h HIS 85 CO -0.28 0.09 -0.03 0.93 -3.07 0.00 0.00 177.93 175.57 2csf h GLU 86 N 0.15 -0.08 -0.96 5.12 4.39 0.85 -3.12 114.58 120.93 2csf h GLU 86 Ca 0.08 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.07 2csf h GLU 86 Cb 0.12 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 28.62 2csf h GLU 86 CO -0.01 -0.05 0.19 0.00 -1.16 0.00 0.00 179.01 177.97 2csf h ARG 87 N -0.29 0.06 -0.74 2.33 3.08 -1.29 1.33 114.38 118.87 2csf h ARG 87 Ca -0.01 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2csf h ARG 87 Cb 0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2csf h ARG 87 CO 0.01 0.04 0.48 -0.44 -1.07 0.00 0.00 179.97 179.00 2csf h ASP 88 N 0.06 0.70 -0.06 7.04 3.32 -1.45 -1.53 116.42 124.50 2csf h ASP 88 Ca 0.63 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.67 2csf h ASP 88 Cb 1.39 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2csf h ASP 88 CO -0.82 0.46 -0.03 0.58 -1.72 0.00 0.00 179.24 177.71 2csf h VAL 89 N 0.80 1.32 -0.17 -1.35 2.07 0.18 -1.75 116.25 117.34 2csf h VAL 89 Ca 0.31 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2csf h VAL 89 Cb 0.22 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2csf h VAL 89 CO -0.10 0.28 -0.05 0.40 0.02 0.00 0.00 177.57 178.11 2csf h ILE 90 N -0.25 0.81 -0.32 4.57 2.04 -0.91 0.12 117.51 123.57 2csf h ILE 90 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2csf h ILE 90 Cb 0.46 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2csf h ILE 90 CO 0.01 0.00 0.20 1.88 0.00 0.00 0.00 178.15 180.24 2csf h TYR 91 N -0.01 0.38 0.42 1.37 0.05 -1.33 -0.05 116.97 117.81 2csf h TYR 91 Ca 0.09 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2csf h TYR 91 Cb 0.14 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 2csf h TYR 91 CO -0.21 0.24 -0.23 0.93 -1.05 0.00 0.00 178.16 177.84 2csf h GLU 92 N 0.42 -0.59 -0.79 4.88 4.39 -0.93 0.50 114.58 122.46 2csf h GLU 92 Ca 0.12 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.95 2csf h GLU 92 Cb -0.03 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.69 2csf h GLU 92 CO -0.04 -0.39 0.46 0.93 -1.16 0.00 0.00 179.01 178.80 2csf h GLU 93 N -0.61 0.76 0.00 2.33 4.39 -0.65 -2.60 114.58 118.21 2csf h GLU 93 Ca -0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2csf h GLU 93 Cb 0.48 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2csf h GLU 93 CO 0.07 0.51 0.00 -1.91 -1.16 0.00 0.00 179.01 176.52 2csf n GLU 94 N -4.74 0.00 -3.44 2.33 4.07 -0.04 -4.51 120.64 114.31 2csf n GLU 94 Ca 0.12 0.48 -0.44 0.00 -0.06 0.00 0.00 57.16 57.27 2csf n GLU 94 Cb 0.24 -1.21 -0.04 0.00 -0.06 0.00 0.00 31.44 30.37 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 -2.51 6.43 0.57 4.31 0.15 0.17 -5.06 113.70 117.77 2csf s SER 95 Ca 0.00 -2.88 -0.19 0.00 0.70 0.00 0.00 55.95 53.58 2csf s SER 95 Cb 0.00 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 62.15 2csf s SER 95 CO 0.00 -0.47 1.18 -0.44 1.20 0.00 0.00 173.24 174.71 2csf s SER 96 N 1.61 5.42 0.13 5.45 0.01 -0.98 -4.42 113.70 120.91 2csf s SER 96 Ca 0.20 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2csf s SER 96 Cb -0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2csf s SER 96 CO -0.08 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 172.75 2csf n GLY 97 N 0.40 -2.99 1.57 3.44 0.00 -1.26 -5.00 105.19 101.34 2csf n GLY 97 Ca 0.13 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2csf n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2csf n PRO 98 N -1.92 -1.99 -3.78 1.61 -0.04 -1.26 -5.06 135.00 122.56 2csf n PRO 98 Ca -0.01 -0.79 -0.22 0.00 -0.04 0.00 0.00 63.50 62.45 2csf n PRO 98 Cb 0.11 -0.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 2csf n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2csf s SER 99 N -2.83 6.31 -0.10 3.54 0.15 -1.26 -5.04 113.70 114.47 2csf s SER 99 Ca 0.32 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 57.15 2csf s SER 99 Cb -0.03 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2csf s SER 99 CO 0.25 -0.14 -0.10 -0.24 1.20 0.00 0.00 173.24 174.21 2csf n SER 100 N -1.49 2.12 -0.48 5.45 2.88 -1.26 -5.22 113.62 115.62 2csf n SER 100 Ca -0.08 0.03 0.06 0.00 -1.33 0.00 0.00 58.87 57.55 2csf n SER 100 Cb 0.57 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.87 2csf n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42