#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 4.30 -0.49 1.61 0.15 -1.26 -5.04 113.70 112.98 2csf s SER 2 Ca 0.00 -0.71 -0.45 0.00 0.70 0.00 0.00 55.95 55.49 2csf s SER 2 Cb 0.00 -0.71 -0.19 0.00 -1.71 0.00 0.00 66.02 63.40 2csf s SER 2 CO 0.00 0.03 1.75 -0.24 1.20 0.00 0.00 173.24 175.98 2csf n SER 3 N -0.69 1.03 -3.64 5.45 2.88 -1.26 -4.85 113.62 112.54 2csf n SER 3 Ca -0.07 0.99 0.01 0.00 -1.33 0.00 0.00 58.87 58.48 2csf n SER 3 Cb 0.59 -0.87 -0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2csf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2csf s GLY 4 N 3.97 -0.36 0.07 0.46 0.00 -1.26 -4.92 107.32 105.27 2csf s GLY 4 Ca 1.08 0.55 -0.31 0.00 0.00 0.00 0.00 44.72 46.05 2csf s GLY 4 CO 0.75 0.84 1.74 -0.56 0.00 0.00 0.00 173.10 175.87 2csf s SER 5 N -3.09 6.54 -0.15 1.64 0.01 -1.26 -4.97 113.70 112.42 2csf s SER 5 Ca 0.16 2.55 -0.15 0.00 1.31 0.00 0.00 55.95 59.82 2csf s SER 5 Cb 0.04 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2csf s SER 5 CO -0.03 -0.94 0.36 -0.44 0.41 0.00 0.00 173.24 172.60 2csf s SER 6 N 2.83 6.52 0.00 2.44 0.01 -1.26 -4.95 113.70 119.28 2csf s SER 6 Ca 0.77 0.61 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2csf s SER 6 Cb -0.41 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2csf s SER 6 CO 0.34 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2csf n GLY 7 N 3.39 -0.52 3.59 3.44 0.00 -1.26 -4.96 105.19 108.86 2csf n GLY 7 Ca -0.10 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.18 3.32 0.12 1.61 0.04 -1.26 -4.96 135.00 133.69 2csf s PRO 8 Ca 0.00 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 2csf s PRO 8 Cb 0.00 -4.18 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 2csf s PRO 8 CO 0.00 -1.88 1.50 0.42 0.04 0.00 0.00 177.00 177.07 2csf s ILE 9 N 6.78 3.03 -0.95 0.56 1.01 -1.26 -4.91 121.20 125.46 2csf s ILE 9 Ca 0.74 0.69 -0.24 0.00 0.00 0.00 0.00 60.65 61.84 2csf s ILE 9 Cb -0.19 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2csf s ILE 9 CO 0.32 0.04 1.80 -0.54 0.00 0.00 0.00 174.94 176.56 2csf s LYS 10 N 1.43 2.88 0.18 2.79 -0.14 -1.26 -4.94 119.74 120.69 2csf s LYS 10 Ca 0.68 -0.57 0.10 0.00 -1.36 0.00 0.00 55.97 54.82 2csf s LYS 10 Cb -0.40 -5.16 -0.04 0.00 -1.68 0.00 0.00 37.83 30.55 2csf s LYS 10 CO 0.31 -3.03 -0.21 0.14 -0.76 0.00 0.00 175.35 171.79 2csf s VAL 11 N 8.53 2.12 -0.36 3.17 -7.23 -1.26 -5.12 120.40 120.25 2csf s VAL 11 Ca 0.63 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2csf s VAL 11 Cb -0.04 -2.00 0.12 0.00 0.56 0.00 0.00 36.38 35.01 2csf s VAL 11 CO -0.03 -0.20 0.17 1.51 -0.31 0.00 0.00 175.10 176.23 2csf s ASP 12 N -2.68 3.76 0.00 4.85 -4.77 -1.26 -4.96 116.67 111.62 2csf s ASP 12 Ca 0.19 -2.08 0.00 0.00 -3.30 0.00 0.00 52.55 47.35 2csf s ASP 12 Cb -0.07 -0.87 0.00 0.00 -1.09 0.00 0.00 42.92 40.89 2csf s ASP 12 CO 0.09 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.22 2csf n GLY 13 N 4.25 0.70 3.11 2.12 0.00 -1.26 -5.15 105.19 108.96 2csf n GLY 13 Ca 0.04 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -0.68 -0.17 4.61 0.00 -1.26 -5.07 121.76 119.19 2csf s ALA 14 Ca 0.00 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 2csf s ALA 14 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 2csf s ALA 14 CO 0.00 -0.21 -0.25 -1.71 0.00 0.00 0.00 175.76 173.58 2csf n ASN 15 N 4.23 1.88 -4.61 0.00 2.85 -1.26 -4.92 115.26 113.42 2csf n ASN 15 Ca -0.25 0.48 -0.36 0.00 -0.11 0.00 0.00 54.58 54.34 2csf n ASN 15 Cb 0.54 -0.81 -0.10 0.00 1.24 0.00 0.00 39.78 40.64 2csf n ASN 15 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2csf s ILE 16 N -2.56 5.04 -0.57 -1.44 1.01 -1.26 -5.06 121.20 116.35 2csf s ILE 16 Ca -0.23 0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 2csf s ILE 16 Cb 0.03 -3.34 0.09 0.00 0.01 0.00 0.00 42.46 39.26 2csf s ILE 16 CO 0.34 0.36 0.68 0.21 0.00 0.00 0.00 174.94 176.53 2csf s ASN 17 N 1.06 6.19 0.16 3.58 2.47 -1.26 -5.04 114.94 122.09 2csf s ASN 17 Ca 0.06 -1.32 -0.27 0.00 0.42 0.00 0.00 52.86 51.75 2csf s ASN 17 Cb -0.14 -2.30 -0.07 0.00 -1.45 0.00 0.00 41.25 37.29 2csf s ASN 17 CO 0.04 -1.06 0.84 -0.63 -3.72 0.00 0.00 177.10 172.58 2csf s ILE 18 N 2.65 4.37 0.07 -5.21 -1.09 -1.26 -5.07 121.20 115.67 2csf s ILE 18 Ca 0.12 1.84 0.02 0.00 -2.23 0.00 0.00 60.65 60.41 2csf s ILE 18 Cb -0.23 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 2csf s ILE 18 CO 0.07 0.46 -0.07 0.42 -1.23 0.00 0.00 174.94 174.59 2csf s THR 19 N -0.80 0.64 0.38 2.92 -4.23 -1.26 -4.81 115.64 108.48 2csf s THR 19 Ca 0.39 -1.51 0.19 0.00 -1.18 0.00 0.00 61.69 59.59 2csf s THR 19 Cb -0.23 -1.15 0.38 0.00 1.34 0.00 0.00 72.50 72.84 2csf s THR 19 CO 0.28 -0.61 1.67 0.00 -0.54 0.00 0.00 174.62 175.41 2csf h ALA 20 N 3.74 2.21 -1.22 3.99 0.00 -1.91 0.30 119.26 126.37 2csf h ALA 20 Ca -0.36 0.15 0.39 0.00 0.00 0.00 0.00 54.91 55.09 2csf h ALA 20 Cb 1.18 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 2csf h ALA 20 CO 0.52 -0.79 0.77 0.00 0.00 0.00 0.00 179.25 179.76 2csf h ALA 21 N 1.74 2.54 -1.15 0.00 0.00 -1.99 0.15 119.26 120.55 2csf h ALA 21 Ca 0.73 0.12 0.44 0.00 0.00 0.00 0.00 54.91 56.20 2csf h ALA 21 Cb 1.88 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 19.68 2csf h ALA 21 CO -0.50 -1.13 0.69 1.51 0.00 0.00 0.00 179.25 179.82 2csf n ILE 22 N -4.73 -0.34 0.02 0.00 3.06 0.11 0.85 119.36 118.32 2csf n ILE 22 Ca 0.34 1.89 -0.12 0.00 -2.50 0.00 0.00 62.75 62.36 2csf n ILE 22 Cb 1.27 -3.08 -0.08 0.00 0.54 0.00 0.00 39.64 38.28 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 -0.00 -0.22 9.51 0.05 -0.91 -2.53 116.97 122.86 2csf h TYR 23 Ca 0.85 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.65 2csf h TYR 23 Cb 2.47 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 40.19 2csf h TYR 23 CO -0.01 0.19 0.06 -0.44 -1.05 0.00 0.00 178.16 176.92 2csf h ASP 24 N -0.20 0.05 -0.96 3.88 3.32 0.30 -2.00 116.42 120.82 2csf h ASP 24 Ca -0.00 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.24 2csf h ASP 24 Cb 0.20 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 2csf h ASP 24 CO 0.00 0.06 0.61 -0.33 -1.72 0.00 0.00 179.24 177.86 2csf h GLU 25 N 0.16 0.72 -0.71 3.56 5.08 -1.22 -0.09 114.58 122.09 2csf h GLU 25 Ca 0.10 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2csf h GLU 25 Cb 0.08 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2csf h GLU 25 CO -0.11 0.48 0.22 0.82 -1.00 0.00 0.00 179.01 179.42 2csf h ILE 26 N 0.75 1.26 0.49 3.13 2.04 -0.92 0.31 117.51 124.56 2csf h ILE 26 Ca 0.51 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2csf h ILE 26 Cb 0.80 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2csf h ILE 26 CO -0.27 0.35 -0.24 1.56 0.00 0.00 0.00 178.15 179.55 2csf h GLN 27 N 1.04 -0.63 -0.00 2.37 4.20 -0.65 -2.37 115.11 119.07 2csf h GLN 27 Ca 0.23 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2csf h GLN 27 Cb 0.30 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2csf h GLN 27 CO -0.01 -0.38 0.00 1.96 -0.67 0.00 0.00 178.83 179.73 2csf h GLN 28 N -0.75 0.01 -1.08 1.46 4.20 -1.36 -2.89 115.11 114.71 2csf h GLN 28 Ca -0.07 -0.00 0.32 0.00 0.06 0.00 0.00 58.65 58.96 2csf h GLN 28 Cb 0.55 -0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.20 2csf h GLN 28 CO 0.11 0.26 0.66 1.49 -0.67 0.00 0.00 178.83 180.68 2csf h GLU 29 N -0.25 0.31 0.61 1.46 4.57 -0.40 0.15 114.58 121.03 2csf h GLU 29 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2csf h GLU 29 Cb 0.26 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2csf h GLU 29 CO 0.00 0.21 -0.29 0.52 -1.18 0.00 0.00 179.01 178.27 2csf h MET 30 N 0.32 -0.79 -0.05 1.92 2.86 -1.22 0.11 114.93 118.09 2csf h MET 30 Ca 0.71 0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.41 2csf h MET 30 Cb 1.77 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 2csf h MET 30 CO -0.47 -0.47 0.09 1.57 1.06 0.00 0.00 176.91 178.69 2csf h LYS 31 N -1.07 0.00 0.21 1.72 5.09 -1.00 1.06 116.57 122.57 2csf h LYS 31 Ca -0.08 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.32 2csf h LYS 31 Cb 0.68 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.03 2csf h LYS 31 CO 0.14 0.00 -1.56 -0.09 -2.09 0.00 0.00 179.45 175.84 2csf h ARG 32 N 0.00 0.45 0.00 0.07 9.65 -0.55 -3.32 114.38 120.68 2csf h ARG 32 Ca 0.02 -0.76 0.00 0.00 -1.10 0.00 0.00 59.98 58.14 2csf h ARG 32 Cb 0.21 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2csf h ARG 32 CO -0.00 1.37 -0.43 0.00 2.80 0.00 0.00 179.97 183.71 2csf n ALA 33 N -2.80 3.31 -3.02 2.80 0.00 0.37 -4.96 120.51 116.22 2csf n ALA 33 Ca -0.21 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 2csf n ALA 33 Cb 1.06 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.54 -4.57 -4.67 0.00 4.76 0.36 -5.00 118.16 107.50 2csf n LYS 34 Ca 0.06 0.54 -0.30 0.00 -2.87 0.00 0.00 58.31 55.74 2csf n LYS 34 Cb 0.34 -4.68 -0.09 0.00 -1.84 0.00 0.00 35.03 28.77 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 -3.22 1.22 0.18 -0.18 -7.23 -0.85 -5.03 120.40 105.29 2csf s VAL 35 Ca 0.13 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 2csf s VAL 35 Cb -0.06 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2csf s VAL 35 CO 0.47 0.00 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.70 2csf s SER 36 N -3.77 4.70 0.50 4.85 0.15 -1.26 -4.62 113.70 114.25 2csf s SER 36 Ca 0.17 -0.43 0.33 0.00 0.70 0.00 0.00 55.95 56.72 2csf s SER 36 Cb 0.04 -0.97 1.44 0.00 -1.71 0.00 0.00 66.02 64.82 2csf s SER 36 CO 0.09 0.09 1.77 1.56 1.20 0.00 0.00 173.24 177.94 2csf h GLN 37 N 2.71 0.10 -0.37 5.44 4.20 -1.97 0.54 115.11 125.76 2csf h GLN 37 Ca -0.47 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.08 2csf h GLN 37 Cb 1.20 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 2csf h GLN 37 CO 0.58 0.07 -0.39 0.00 -0.67 0.00 0.00 178.83 178.41 2csf h ALA 38 N 1.45 0.54 0.28 3.87 0.00 -1.92 -2.71 119.26 120.76 2csf h ALA 38 Ca 0.62 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2csf h ALA 38 Cb 2.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2csf h ALA 38 CO -0.11 0.65 -0.13 1.25 0.00 0.00 0.00 179.25 180.91 2csf h LEU 39 N 0.72 -0.31 -1.22 0.00 5.85 -0.36 -1.02 115.31 118.97 2csf h LEU 39 Ca 0.05 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.16 2csf h LEU 39 Cb 0.99 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 2csf h LEU 39 CO 0.10 -0.00 0.70 0.15 -0.34 0.00 0.00 178.44 179.04 2csf h PHE 40 N -0.81 0.71 0.00 1.25 3.04 -1.26 1.83 116.94 121.70 2csf h PHE 40 Ca -0.04 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 2csf h PHE 40 Cb 0.28 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 2csf h PHE 40 CO 0.02 -0.20 -0.60 0.00 -2.02 0.00 0.00 178.31 175.52 2csf h ALA 41 N 1.73 0.64 0.00 2.41 0.00 -1.53 0.29 119.26 122.81 2csf h ALA 41 Ca 0.77 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2csf h ALA 41 Cb 2.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2csf h ALA 41 CO -0.51 0.70 -0.85 -0.22 0.00 0.00 0.00 179.25 178.38 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.39 1.96 116.57 122.03 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 1.43 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.66 2csf h LYS 42 CO 0.07 0.64 -1.14 1.33 -2.81 0.00 0.00 179.45 177.54 2csf n VAL 43 N -3.21 0.00 -0.08 2.00 0.24 0.18 -3.22 118.33 114.24 2csf n VAL 43 Ca -0.01 -0.13 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 2csf n VAL 43 Cb 0.83 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.62 1.13 0.55 2.33 0.00 0.09 -4.75 120.51 118.24 2csf n ALA 44 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 53.44 52.76 2csf n ALA 44 Cb 0.35 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 -4.34 3.10 -2.25 0.00 0.00 -0.54 -4.31 120.51 112.16 2csf n ALA 45 Ca -0.16 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 52.65 2csf n ALA 45 Cb 0.50 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.45 -5.30 -4.70 0.00 2.85 0.63 -4.93 115.26 103.36 2csf n ASN 46 Ca 0.04 0.04 -0.20 0.00 -0.11 0.00 0.00 54.58 54.35 2csf n ASN 46 Cb 0.24 -4.37 0.04 0.00 1.24 0.00 0.00 39.78 36.93 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 -2.73 0.67 -3.58 1.20 4.76 0.63 -4.83 118.16 114.27 2csf n LYS 47 Ca -0.21 -2.99 -0.33 0.00 -2.87 0.00 0.00 58.31 51.91 2csf n LYS 47 Cb 0.66 -0.05 -0.05 0.00 -1.84 0.00 0.00 35.03 33.75 2csf n LYS 47 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2csf s SER 48 N -4.23 6.58 0.20 4.39 0.15 -1.26 -3.56 113.70 115.97 2csf s SER 48 Ca 0.48 0.74 -0.16 0.00 0.70 0.00 0.00 55.95 57.71 2csf s SER 48 Cb -0.04 -2.15 0.20 0.00 -1.71 0.00 0.00 66.02 62.31 2csf s SER 48 CO 0.30 0.08 1.38 1.67 1.20 0.00 0.00 173.24 177.87 2csf n GLN 49 N 0.40 -0.22 -0.33 5.44 7.27 -1.26 0.12 117.38 128.80 2csf n GLN 49 Ca -0.04 1.37 0.28 0.00 0.07 0.00 0.00 57.00 58.67 2csf n GLN 49 Cb 0.52 -2.03 0.53 0.00 2.41 0.00 0.00 30.24 31.68 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 2.12 1.73 1.69 0.00 -1.94 1.31 103.07 107.99 2csf h GLY 50 Ca 0.30 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.30 2csf h GLY 50 CO -0.88 -0.62 -0.53 -0.25 0.00 0.00 0.00 176.54 174.27 2csf h TRP 51 N 0.18 0.35 0.00 5.60 7.01 0.52 -2.95 115.95 126.67 2csf h TRP 51 Ca 0.79 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 61.67 2csf h TRP 51 Cb 1.95 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.94 2csf h TRP 51 CO -0.01 0.75 -0.00 1.25 -2.79 0.00 0.00 178.44 177.64 2csf h LEU 52 N 0.22 -0.00 -0.95 0.65 7.12 0.17 -3.22 115.31 119.30 2csf h LEU 52 Ca 0.01 -0.07 0.21 0.00 0.13 0.00 0.00 57.88 58.16 2csf h LEU 52 Cb 1.00 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 40.96 2csf h LEU 52 CO 0.08 0.53 -0.13 0.00 -0.13 0.00 0.00 178.44 178.79 2csf h GLU 54 N 0.01 -0.38 -1.00 0.00 5.08 -1.66 -0.77 114.58 115.86 2csf h GLU 54 Ca 0.50 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.22 2csf h GLU 54 Cb 0.87 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.05 2csf h GLU 54 CO -0.94 -0.25 0.55 -0.07 -1.00 0.00 0.00 179.01 177.30 2csf h LEU 55 N -0.39 0.45 -0.09 1.33 4.07 -0.66 1.76 115.31 121.78 2csf h LEU 55 Ca 0.04 0.21 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 2csf h LEU 55 Cb 0.44 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2csf h LEU 55 CO -0.16 -0.21 -0.38 -0.07 -1.08 0.00 0.00 178.44 176.54 2csf h LEU 56 N 0.25 0.00 0.06 1.67 3.38 -1.00 0.99 115.31 120.66 2csf h LEU 56 Ca 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.72 2csf h LEU 56 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2csf h LEU 56 CO -0.65 0.38 -0.03 -0.09 0.09 0.00 0.00 178.44 178.15 2csf h ARG 57 N 0.00 -0.08 0.08 1.13 2.43 0.39 -3.38 114.38 114.94 2csf h ARG 57 Ca -0.00 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2csf h ARG 57 Cb 1.26 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2csf h ARG 57 CO 0.05 0.15 -0.88 -1.49 -1.51 0.00 0.00 179.97 176.30 2csf h TRP 58 N -1.01 0.73 -6.02 2.20 4.06 -0.46 -3.48 115.95 111.98 2csf h TRP 58 Ca -0.01 -0.45 -0.44 0.00 2.06 0.00 0.00 58.89 60.05 2csf h TRP 58 Cb 0.27 -0.06 0.03 0.00 -1.00 0.00 0.00 29.16 28.39 2csf h TRP 58 CO 0.06 1.31 -0.72 1.63 -3.56 0.00 0.00 178.44 177.16 2csf n LYS 59 N -4.05 -6.31 -1.51 0.49 5.02 0.34 -4.88 118.16 107.26 2csf n LYS 59 Ca -0.12 0.69 -0.40 0.00 -2.02 0.00 0.00 58.31 56.45 2csf n LYS 59 Cb 0.82 -5.64 0.02 0.00 -0.02 0.00 0.00 35.03 30.21 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 -4.74 0.77 -2.04 1.97 0.00 -1.26 -4.78 120.64 110.57 2csf n GLU 60 Ca 0.02 0.29 -0.43 0.00 0.00 0.00 0.00 57.16 57.04 2csf n GLU 60 Cb 0.54 -1.74 -0.03 0.00 0.00 0.00 0.00 31.44 30.21 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 -0.98 6.49 0.36 4.31 2.47 -1.26 -4.92 114.94 121.42 2csf s ASN 61 Ca 0.66 1.95 -0.27 0.00 0.42 0.00 0.00 52.86 55.62 2csf s ASN 61 Cb -0.53 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 36.64 2csf s ASN 61 CO 0.56 -1.11 1.21 -2.16 -3.72 0.00 0.00 177.10 171.87 2csf s PRO 62 N 4.40 4.23 0.09 0.43 0.04 -1.26 -5.04 135.00 137.90 2csf s PRO 62 Ca 0.74 1.96 -0.24 0.00 0.04 0.00 0.00 61.00 63.50 2csf s PRO 62 Cb -0.30 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.43 2csf s PRO 62 CO 0.29 -0.20 0.59 -1.12 0.04 0.00 0.00 177.00 176.60 2csf s SER 63 N -0.88 -0.54 0.00 6.66 0.01 -1.26 -4.84 113.70 112.85 2csf s SER 63 Ca 0.53 0.15 0.16 0.00 1.31 0.00 0.00 55.95 58.09 2csf s SER 63 Cb -0.34 0.56 0.92 0.00 0.21 0.00 0.00 66.02 67.37 2csf s SER 63 CO 0.44 -0.84 1.36 -0.81 0.41 0.00 0.00 173.24 173.79 2csf n PRO 64 N 0.03 0.46 0.02 12.44 -0.04 -1.26 -2.75 135.00 143.91 2csf n PRO 64 Ca -0.18 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2csf n PRO 64 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.28 -6.63 0.54 4.39 -1.99 -3.44 114.58 107.73 2csf h GLU 65 Ca 0.00 -0.48 -0.56 0.00 0.34 0.00 0.00 59.36 58.66 2csf h GLU 65 Cb 0.01 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 2csf h GLU 65 CO 0.00 1.23 0.99 1.21 -1.16 0.00 0.00 179.01 181.28 2csf s ASN 66 N -7.11 6.49 -0.01 1.42 3.84 -1.11 -4.93 114.94 113.54 2csf s ASN 66 Ca -0.20 0.54 -0.06 0.00 0.21 0.00 0.00 52.86 53.36 2csf s ASN 66 Cb 0.05 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 2csf s ASN 66 CO 0.78 -1.36 0.56 0.03 -2.79 0.00 0.00 177.10 174.33 2csf h ARG 67 N 9.86 -0.20 -1.43 0.43 2.47 -1.86 0.83 114.38 124.48 2csf h ARG 67 Ca -0.25 0.01 0.42 0.00 -1.26 0.00 0.00 59.98 58.91 2csf h ARG 67 Cb 1.08 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.36 2csf h ARG 67 CO 1.12 -0.13 1.00 1.15 0.56 0.00 0.00 179.97 183.67 2csf h THR 68 N -0.37 0.24 0.00 2.04 2.02 -1.99 0.49 112.91 115.35 2csf h THR 68 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2csf h THR 68 Cb 0.16 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2csf h THR 68 CO 0.03 0.01 -0.10 0.25 0.37 0.00 0.00 175.52 176.08 2csf h LEU 69 N 0.06 0.00 -0.81 2.58 5.85 -1.95 -3.31 115.31 117.73 2csf h LEU 69 Ca 0.73 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.63 2csf h LEU 69 Cb 2.69 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.57 2csf h LEU 69 CO -0.12 0.17 -0.10 -0.25 -0.34 0.00 0.00 178.44 177.80 2csf h TRP 70 N -0.25 -0.25 -0.00 1.25 2.91 0.10 0.16 115.95 119.87 2csf h TRP 70 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.10 0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 2csf h TRP 70 CO -0.04 -0.32 -0.10 0.93 -1.03 0.00 0.00 178.44 177.87 2csf h GLU 71 N 0.04 -0.12 -0.18 2.65 5.08 -0.16 0.43 114.58 122.30 2csf h GLU 71 Ca 0.42 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 2csf h GLU 71 Cb 0.72 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2csf h GLU 71 CO -0.79 -0.08 -0.24 -0.91 -1.00 0.00 0.00 179.01 175.99 2csf h ASN 72 N -0.13 -0.76 -0.03 1.42 2.35 -1.48 0.22 115.58 117.17 2csf h ASN 72 Ca 0.00 0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2csf h ASN 72 Cb 0.14 0.35 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2csf h ASN 72 CO -0.07 -0.28 0.20 -0.07 -1.65 0.00 0.00 177.43 175.56 2csf h LEU 73 N -0.28 0.00 0.05 1.61 3.38 -0.49 -1.51 115.31 118.07 2csf h LEU 73 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2csf h LEU 73 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2csf h LEU 73 CO -0.35 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.16 2csf h THR 75 N -0.65 1.25 -0.14 0.00 1.03 -1.03 -2.58 112.91 110.79 2csf h THR 75 Ca -0.01 -0.87 -0.05 0.00 -0.01 0.00 0.00 66.41 65.48 2csf h THR 75 Cb 0.57 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 2csf h THR 75 CO 0.01 0.33 -0.13 0.40 -0.01 0.00 0.00 175.52 176.12 2csf h ILE 76 N 0.86 1.17 -0.51 0.00 2.04 -1.47 -2.46 117.51 117.15 2csf h ILE 76 Ca 0.19 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 2csf h ILE 76 Cb 0.32 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2csf h ILE 76 CO -0.00 0.23 -0.08 -0.09 0.00 0.00 0.00 178.15 178.21 2csf h ARG 77 N 0.21 0.92 -0.18 2.37 9.65 -0.99 -2.85 114.38 123.51 2csf h ARG 77 Ca 0.04 -0.31 -0.13 0.00 -1.10 0.00 0.00 59.98 58.49 2csf h ARG 77 Cb 0.36 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2csf h ARG 77 CO 0.02 0.96 -0.44 0.00 2.80 0.00 0.00 179.97 183.31 2csf h ARG 78 N 0.83 0.43 -0.08 0.20 3.08 -1.20 -3.02 114.38 114.62 2csf h ARG 78 Ca 0.14 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2csf h ARG 78 Cb 0.60 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2csf h ARG 78 CO 0.04 0.79 0.01 0.35 -1.07 0.00 0.00 179.97 180.09 2csf h PHE 79 N 0.35 0.01 -0.22 3.04 3.04 -1.23 -2.13 116.94 119.81 2csf h PHE 79 Ca 0.03 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2csf h PHE 79 Cb 0.91 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 2csf h PHE 79 CO 0.03 0.00 0.12 -0.07 -2.02 0.00 0.00 178.31 176.37 2csf h LEU 80 N 0.04 0.26 -1.94 0.59 3.38 -1.50 -0.50 115.31 115.64 2csf h LEU 80 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2csf h LEU 80 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2csf h LEU 80 CO -0.05 0.21 0.00 0.78 0.09 0.00 0.00 178.44 179.47 2csf h ASN 81 N 0.30 0.00 -4.17 -0.43 2.35 -1.25 -3.43 115.58 108.95 2csf h ASN 81 Ca 0.08 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.33 2csf h ASN 81 Cb 0.01 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.45 2csf h ASN 81 CO -0.01 0.00 0.39 -0.76 -1.65 0.00 0.00 177.43 175.39 2csf s LEU 82 N -5.22 3.53 0.48 1.61 1.43 -0.20 -5.01 118.68 115.31 2csf s LEU 82 Ca -0.02 1.94 -0.22 0.00 -1.03 0.00 0.00 54.13 54.80 2csf s LEU 82 Cb 0.09 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2csf s LEU 82 CO 0.32 -1.29 1.15 -2.16 0.23 0.00 0.00 176.35 174.60 2csf s PRO 83 N -3.88 3.66 0.28 1.29 0.04 -1.26 -4.73 135.00 130.40 2csf s PRO 83 Ca 0.66 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.44 2csf s PRO 83 Cb -0.19 -2.31 0.68 0.00 0.04 0.00 0.00 34.50 32.73 2csf s PRO 83 CO 0.35 -0.62 1.65 0.37 0.04 0.00 0.00 177.00 178.79 2csf h GLN 84 N 1.84 0.20 -0.11 4.56 4.15 -1.95 1.02 115.11 124.81 2csf h GLN 84 Ca -0.49 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 58.95 2csf h GLN 84 Cb 1.25 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2csf h GLN 84 CO 0.59 0.13 0.08 1.12 -1.93 0.00 0.00 178.83 178.83 2csf h HIS 85 N 0.20 0.00 0.03 3.99 2.07 -2.00 -1.82 115.15 117.62 2csf h HIS 85 Ca 0.54 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.06 2csf h HIS 85 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 2csf h HIS 85 CO -0.28 0.00 -0.01 0.93 -3.07 0.00 0.00 177.93 175.50 2csf h GLU 86 N 0.00 -0.03 -0.96 5.12 4.39 0.69 -3.14 114.58 120.64 2csf h GLU 86 Ca 0.05 0.00 0.25 0.00 0.34 0.00 0.00 59.36 60.01 2csf h GLU 86 Cb 0.22 0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 28.70 2csf h GLU 86 CO -0.00 -0.02 0.01 0.00 -1.16 0.00 0.00 179.01 177.84 2csf h ARG 87 N -0.27 0.02 -0.68 2.33 3.08 -1.27 0.79 114.38 118.39 2csf h ARG 87 Ca -0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2csf h ARG 87 Cb 0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 2csf h ARG 87 CO 0.01 0.02 0.35 0.22 -1.07 0.00 0.00 179.97 179.49 2csf h ASP 88 N 0.02 0.48 -0.27 7.04 1.82 -1.47 -2.13 116.42 121.91 2csf h ASP 88 Ca 0.57 0.05 0.01 0.00 -0.39 0.00 0.00 57.03 57.27 2csf h ASP 88 Cb 1.14 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 2csf h ASP 88 CO -0.90 0.29 0.15 0.58 -1.61 0.00 0.00 179.24 177.76 2csf h VAL 89 N 0.62 1.02 -0.24 2.25 2.07 0.63 -0.36 116.25 122.24 2csf h VAL 89 Ca 0.32 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.79 2csf h VAL 89 Cb 0.28 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2csf h VAL 89 CO -0.23 0.06 -0.10 0.40 0.02 0.00 0.00 177.57 177.71 2csf h ILE 90 N 0.32 0.66 -0.44 4.57 2.04 -0.76 0.96 117.51 124.86 2csf h ILE 90 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2csf h ILE 90 Cb 0.01 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2csf h ILE 90 CO -0.06 0.00 0.23 1.88 0.00 0.00 0.00 178.15 180.20 2csf h TYR 91 N -0.07 0.61 0.42 1.37 0.05 -1.18 -0.33 116.97 117.84 2csf h TYR 91 Ca 0.13 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 2csf h TYR 91 Cb 0.26 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2csf h TYR 91 CO -0.28 0.48 -0.30 0.93 -1.05 0.00 0.00 178.16 177.93 2csf h GLU 92 N 0.57 -0.68 -0.81 4.88 5.08 -0.50 0.11 114.58 123.23 2csf h GLU 92 Ca 0.15 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2csf h GLU 92 Cb 0.07 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2csf h GLU 92 CO -0.02 -0.45 0.50 0.93 -1.00 0.00 0.00 179.01 178.97 2csf h GLU 93 N -0.71 0.92 0.00 2.33 4.39 -0.76 -3.20 114.58 117.55 2csf h GLU 93 Ca -0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2csf h GLU 93 Cb 0.60 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2csf h GLU 93 CO 0.01 0.61 0.00 -1.91 -1.16 0.00 0.00 179.01 176.56 2csf n GLU 94 N -4.63 0.00 -4.09 2.33 4.07 -0.14 -4.69 120.64 113.49 2csf n GLU 94 Ca 0.11 0.49 -0.32 0.00 -0.06 0.00 0.00 57.16 57.37 2csf n GLU 94 Cb 0.14 -1.42 -0.16 0.00 -0.06 0.00 0.00 31.44 29.94 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 -2.12 3.69 1.12 4.31 0.15 0.37 -5.09 113.70 116.12 2csf s SER 95 Ca 0.00 -0.97 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 2csf s SER 95 Cb 0.00 -1.49 0.26 0.00 -1.71 0.00 0.00 66.02 63.08 2csf s SER 95 CO 0.00 -0.09 1.05 -0.94 1.20 0.00 0.00 173.24 174.46 2csf s SER 96 N 1.22 1.33 0.04 5.45 1.04 -1.21 -4.33 113.70 117.24 2csf s SER 96 Ca -0.01 1.57 0.01 0.00 0.48 0.00 0.00 55.95 58.00 2csf s SER 96 Cb -0.16 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.66 2csf s SER 96 CO -0.09 -3.99 0.03 0.61 0.98 0.00 0.00 173.24 170.78 2csf n GLY 97 N 0.56 3.90 3.61 7.32 0.00 -1.26 -5.05 105.19 114.27 2csf n GLY 97 Ca 0.04 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 2csf n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2csf s PRO 98 N -2.18 3.57 -0.16 1.61 0.04 -1.26 -4.84 135.00 131.78 2csf s PRO 98 Ca 0.05 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 2csf s PRO 98 Cb 0.00 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 2csf s PRO 98 CO 0.03 -1.57 -0.17 0.43 0.04 0.00 0.00 177.00 175.77 2csf n SER 99 N 9.26 2.16 -4.69 6.66 7.64 -1.26 -4.97 113.62 128.42 2csf n SER 99 Ca 0.20 0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.72 2csf n SER 99 Cb 0.46 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2csf n SER 99 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2csf s SER 100 N -5.90 6.67 0.00 6.43 0.01 -1.26 -5.37 113.70 114.29 2csf s SER 100 Ca -0.22 0.81 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2csf s SER 100 Cb 0.07 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2csf s SER 100 CO 0.33 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.47