#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 -0.71 0.15 1.61 0.15 -1.26 -5.06 113.70 108.58 2csf s SER 2 Ca 0.00 1.06 -0.26 0.00 0.70 0.00 0.00 55.95 57.45 2csf s SER 2 Cb 0.00 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 2csf s SER 2 CO 0.00 -0.16 1.59 0.28 1.20 0.00 0.00 173.24 176.15 2csf h SER 3 N 6.95 -1.23 0.00 5.45 0.02 -2.11 -3.47 113.55 119.16 2csf h SER 3 Ca -0.23 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2csf h SER 3 Cb 1.16 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2csf h SER 3 CO 0.14 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.08 2csf n GLY 4 N -1.42 3.42 3.46 -3.77 0.00 -1.26 -5.17 105.19 100.45 2csf n GLY 4 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.58 -0.89 1.61 0.15 -1.26 -5.10 113.70 107.63 2csf s SER 5 Ca 0.00 0.82 -0.21 0.00 0.70 0.00 0.00 55.95 57.25 2csf s SER 5 Cb 0.00 1.58 0.09 0.00 -1.71 0.00 0.00 66.02 65.97 2csf s SER 5 CO 0.00 -0.12 1.20 -0.94 1.20 0.00 0.00 173.24 174.59 2csf s SER 6 N 2.22 6.47 0.41 5.45 1.04 -1.26 -4.95 113.70 123.08 2csf s SER 6 Ca -0.04 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.83 2csf s SER 6 Cb -0.06 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2csf s SER 6 CO -0.17 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2csf n GLY 7 N 5.87 0.86 3.57 7.32 0.00 -1.26 -4.70 105.19 116.85 2csf n GLY 7 Ca 0.20 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -1.62 -0.96 1.61 0.04 -1.26 -4.85 135.00 127.95 2csf s PRO 8 Ca 0.00 -0.21 -0.24 0.00 0.04 0.00 0.00 61.00 60.59 2csf s PRO 8 Cb 0.00 -1.56 -0.07 0.00 0.04 0.00 0.00 34.50 32.91 2csf s PRO 8 CO 0.00 -3.95 1.98 0.42 0.04 0.00 0.00 177.00 175.49 2csf s ILE 9 N -3.02 3.43 0.36 0.56 -1.09 -1.26 -4.91 121.20 115.28 2csf s ILE 9 Ca 0.72 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.75 2csf s ILE 9 Cb -0.07 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 2csf s ILE 9 CO 0.56 -0.88 -0.03 -0.75 -1.23 0.00 0.00 174.94 172.61 2csf s LYS 10 N 7.04 1.82 0.40 2.79 2.20 -1.26 -5.14 119.74 127.59 2csf s LYS 10 Ca 0.71 -1.99 -0.11 0.00 -0.36 0.00 0.00 55.97 54.23 2csf s LYS 10 Cb -0.06 -1.50 -0.06 0.00 -1.51 0.00 0.00 37.83 34.69 2csf s LYS 10 CO 0.03 0.01 0.77 0.14 -0.36 0.00 0.00 175.35 175.94 2csf s VAL 11 N -2.79 4.78 0.20 4.02 -7.23 -1.26 -5.09 120.40 113.03 2csf s VAL 11 Ca 0.34 0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 60.91 2csf s VAL 11 Cb 0.07 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.33 2csf s VAL 11 CO 0.16 -0.51 0.64 1.51 -0.31 0.00 0.00 175.10 176.59 2csf s ASP 12 N -3.14 -0.47 0.00 4.85 1.47 -1.26 -4.90 116.67 113.22 2csf s ASP 12 Ca 0.51 -0.19 0.00 0.00 1.18 0.00 0.00 52.55 54.05 2csf s ASP 12 Cb -0.10 0.64 0.00 0.00 -0.34 0.00 0.00 42.92 43.12 2csf s ASP 12 CO 0.31 -1.09 0.00 0.61 0.68 0.00 0.00 175.17 175.68 2csf n GLY 13 N -0.40 2.06 0.20 2.12 0.00 -1.26 -4.74 105.19 103.16 2csf n GLY 13 Ca -0.13 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf h ALA 14 N 0.00 0.38 -3.85 4.61 0.00 -2.06 -3.41 119.26 114.94 2csf h ALA 14 Ca 0.00 -0.39 -0.67 0.00 0.00 0.00 0.00 54.91 53.85 2csf h ALA 14 Cb 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 17.34 2csf h ALA 14 CO 0.00 0.38 -0.79 0.54 0.00 0.00 0.00 179.25 179.38 2csf s ASN 15 N -6.48 4.47 0.04 0.00 4.22 -1.26 -5.09 114.94 110.84 2csf s ASN 15 Ca -0.13 -1.48 -0.31 0.00 -2.14 0.00 0.00 52.86 48.81 2csf s ASN 15 Cb 0.08 -1.55 -0.07 0.00 1.28 0.00 0.00 41.25 40.99 2csf s ASN 15 CO 0.82 -0.21 1.53 -0.63 -2.04 0.00 0.00 177.10 176.57 2csf s ILE 16 N 1.08 3.33 -0.55 0.54 1.01 -1.26 -4.69 121.20 120.66 2csf s ILE 16 Ca -0.07 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 61.15 2csf s ILE 16 Cb -0.20 -3.49 0.08 0.00 0.01 0.00 0.00 42.46 38.86 2csf s ILE 16 CO -0.05 0.00 0.66 0.21 0.00 0.00 0.00 174.94 175.75 2csf s ASN 17 N 2.11 6.20 -0.09 3.58 2.47 -1.26 -5.04 114.94 122.91 2csf s ASN 17 Ca 0.69 -1.19 -0.27 0.00 0.42 0.00 0.00 52.86 52.51 2csf s ASN 17 Cb -0.36 -2.29 -0.02 0.00 -1.45 0.00 0.00 41.25 37.12 2csf s ASN 17 CO 0.30 -1.00 0.86 -0.63 -3.72 0.00 0.00 177.10 172.91 2csf s ILE 18 N 2.62 4.90 0.16 -5.21 -1.09 -1.26 -5.05 121.20 116.28 2csf s ILE 18 Ca 0.13 1.76 0.08 0.00 -2.23 0.00 0.00 60.65 60.38 2csf s ILE 18 Cb -0.22 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 2csf s ILE 18 CO 0.09 0.11 -0.16 0.42 -1.23 0.00 0.00 174.94 174.17 2csf s THR 19 N 1.51 1.66 0.40 2.92 -4.23 -1.26 -4.72 115.64 111.91 2csf s THR 19 Ca 0.43 -1.95 0.21 0.00 -1.18 0.00 0.00 61.69 59.20 2csf s THR 19 Cb -0.18 -1.82 0.41 0.00 1.34 0.00 0.00 72.50 72.24 2csf s THR 19 CO 0.18 -0.43 1.70 0.00 -0.54 0.00 0.00 174.62 175.54 2csf h ALA 20 N 3.12 2.32 -1.24 3.99 0.00 -1.90 0.28 119.26 125.82 2csf h ALA 20 Ca -0.40 0.11 0.38 0.00 0.00 0.00 0.00 54.91 54.99 2csf h ALA 20 Cb 1.21 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 2csf h ALA 20 CO 0.54 -0.84 0.82 0.00 0.00 0.00 0.00 179.25 179.77 2csf h ALA 21 N 1.66 2.66 -1.17 0.00 0.00 -1.98 0.14 119.26 120.57 2csf h ALA 21 Ca 0.69 0.07 0.42 0.00 0.00 0.00 0.00 54.91 56.09 2csf h ALA 21 Cb 1.86 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.64 2csf h ALA 21 CO -0.40 -1.18 0.71 0.97 0.00 0.00 0.00 179.25 179.34 2csf h ILE 22 N 0.18 0.10 -0.13 0.00 2.10 -0.86 0.61 117.51 119.51 2csf h ILE 22 Ca 0.72 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 66.62 2csf h ILE 22 Cb 2.24 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.97 2csf h ILE 22 CO -0.32 0.02 0.04 1.88 -1.08 0.00 0.00 178.15 178.69 2csf h TYR 23 N 0.09 0.20 -0.17 2.19 0.05 -0.93 -2.49 116.97 115.92 2csf h TYR 23 Ca 0.82 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.60 2csf h TYR 23 Cb 2.35 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 40.01 2csf h TYR 23 CO -0.01 0.32 0.03 -0.44 -1.05 0.00 0.00 178.16 177.02 2csf h ASP 24 N 0.03 0.01 -0.90 3.88 3.32 0.04 -1.96 116.42 120.84 2csf h ASP 24 Ca 0.04 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.26 2csf h ASP 24 Cb 0.21 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 2csf h ASP 24 CO -0.00 0.03 0.58 -0.33 -1.72 0.00 0.00 179.24 177.80 2csf h GLU 25 N 0.11 0.69 -0.29 3.56 5.08 -1.25 0.36 114.58 122.84 2csf h GLU 25 Ca 0.07 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2csf h GLU 25 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2csf h GLU 25 CO -0.10 0.46 -0.27 0.82 -1.00 0.00 0.00 179.01 178.92 2csf h ILE 26 N 0.71 1.27 -0.11 3.13 2.04 -0.90 0.22 117.51 123.88 2csf h ILE 26 Ca 0.45 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2csf h ILE 26 Cb 0.71 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2csf h ILE 26 CO -0.21 0.43 -0.02 1.56 0.00 0.00 0.00 178.15 179.91 2csf h GLN 27 N 0.50 0.20 -0.08 2.37 4.20 -0.32 -2.94 115.11 119.03 2csf h GLN 27 Ca 0.07 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2csf h GLN 27 Cb 0.73 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2csf h GLN 27 CO 0.06 0.49 -0.17 1.96 -0.67 0.00 0.00 178.83 180.49 2csf h GLN 28 N -0.11 0.26 -1.09 1.46 4.20 -1.27 -3.17 115.11 115.40 2csf h GLN 28 Ca 0.03 -0.17 0.32 0.00 0.06 0.00 0.00 58.65 58.89 2csf h GLN 28 Cb 0.41 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.09 2csf h GLN 28 CO 0.01 0.76 0.67 1.49 -0.67 0.00 0.00 178.83 181.10 2csf h GLU 29 N -0.20 0.30 0.81 1.46 4.57 -0.61 0.22 114.58 121.13 2csf h GLU 29 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2csf h GLU 29 Cb 0.76 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2csf h GLU 29 CO 0.04 0.20 -0.39 0.52 -1.18 0.00 0.00 179.01 178.20 2csf h MET 30 N 0.31 -1.05 -0.01 1.92 2.86 -1.49 0.30 114.93 117.77 2csf h MET 30 Ca 0.70 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.42 2csf h MET 30 Cb 1.80 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 33.70 2csf h MET 30 CO -0.45 -0.70 0.03 1.57 1.06 0.00 0.00 176.91 178.42 2csf h LYS 31 N -1.27 0.00 0.22 1.72 5.09 -1.22 1.02 116.57 122.13 2csf h LYS 31 Ca -0.11 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.29 2csf h LYS 31 Cb 0.84 0.00 0.03 0.00 0.10 0.00 0.00 32.23 33.19 2csf h LYS 31 CO 0.18 0.00 -1.57 -0.09 -2.09 0.00 0.00 179.45 175.88 2csf h ARG 32 N 0.00 0.47 0.00 0.07 2.43 -0.38 -3.32 114.38 113.65 2csf h ARG 32 Ca 0.01 -0.80 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 2csf h ARG 32 Cb 0.06 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2csf h ARG 32 CO -0.00 1.38 -0.56 0.00 -1.51 0.00 0.00 179.97 179.28 2csf n ALA 33 N -2.79 2.94 -2.63 2.80 0.00 0.10 -4.97 120.51 115.96 2csf n ALA 33 Ca -0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 2csf n ALA 33 Cb 1.08 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.04 -2.82 -3.20 0.00 4.76 0.34 -5.00 118.16 110.20 2csf n LYS 34 Ca 0.04 0.42 -0.12 0.00 -2.87 0.00 0.00 58.31 55.77 2csf n LYS 34 Cb 0.42 -4.04 -0.04 0.00 -1.84 0.00 0.00 35.03 29.54 2csf n LYS 34 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2csf n VAL 35 N -2.49 0.00 -4.41 -0.18 0.24 -0.92 -4.96 118.33 105.61 2csf n VAL 35 Ca -0.12 -1.20 -0.29 0.00 -2.04 0.00 0.00 64.34 60.69 2csf n VAL 35 Cb 0.58 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 33.27 2csf n VAL 35 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2csf s SER 36 N -2.25 3.46 0.50 -1.34 0.15 -1.26 -4.65 113.70 108.31 2csf s SER 36 Ca 0.12 -0.68 0.42 0.00 0.70 0.00 0.00 55.95 56.50 2csf s SER 36 Cb 0.01 -0.32 1.62 0.00 -1.71 0.00 0.00 66.02 65.63 2csf s SER 36 CO 0.08 0.19 1.57 0.00 1.20 0.00 0.00 173.24 176.28 2csf n GLN 37 N 0.96 -0.02 -0.10 5.44 6.02 -1.26 0.17 117.38 128.59 2csf n GLN 37 Ca -0.17 1.18 -0.12 0.00 -0.01 0.00 0.00 57.00 57.88 2csf n GLN 37 Cb 0.53 -2.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.25 2csf n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2csf h ALA 38 N 1.31 0.42 0.53 -1.58 0.00 -1.92 -1.95 119.26 116.07 2csf h ALA 38 Ca 0.92 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 2csf h ALA 38 Cb 3.33 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 21.02 2csf h ALA 38 CO -0.25 0.27 -0.25 1.25 0.00 0.00 0.00 179.25 180.27 2csf h LEU 39 N 0.36 -0.60 -1.09 0.00 7.12 0.13 0.28 115.31 121.52 2csf h LEU 39 Ca 0.07 0.02 0.26 0.00 0.13 0.00 0.00 57.88 58.37 2csf h LEU 39 Cb 0.60 0.16 -0.12 0.00 -0.53 0.00 0.00 40.66 40.77 2csf h LEU 39 CO 0.04 -0.25 0.61 0.15 -0.13 0.00 0.00 178.44 178.86 2csf h PHE 40 N -1.08 0.92 0.00 1.25 3.04 -1.41 0.99 116.94 120.66 2csf h PHE 40 Ca -0.07 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 2csf h PHE 40 Cb 0.55 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 2csf h PHE 40 CO 0.02 0.03 -0.17 0.00 -2.02 0.00 0.00 178.31 176.17 2csf h ALA 41 N 1.72 0.91 0.00 2.41 0.00 -1.35 0.13 119.26 123.08 2csf h ALA 41 Ca 0.65 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 2csf h ALA 41 Cb 1.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2csf h ALA 41 CO -0.45 0.21 -0.84 -0.22 0.00 0.00 0.00 179.25 177.94 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.31 1.83 116.57 121.82 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 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2csf h LYS 42 CO 0.02 0.52 -1.78 1.33 -2.81 0.00 0.00 179.45 176.73 2csf n VAL 43 N -3.15 0.00 -0.05 2.00 0.24 0.62 -3.34 118.33 114.65 2csf n VAL 43 Ca -0.02 -0.40 -0.04 0.00 -2.04 0.00 0.00 64.34 61.84 2csf n VAL 43 Cb 0.80 0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.10 0.35 0.67 2.33 0.00 0.46 -4.68 120.51 117.54 2csf n ALA 44 Ca -0.03 -0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.10 2csf n ALA 44 Cb 0.48 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.29 3.22 -2.00 0.00 0.00 -0.89 -4.40 120.51 113.15 2csf n ALA 45 Ca -0.06 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 2csf n ALA 45 Cb 0.21 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.33 -5.49 -4.47 0.00 5.15 0.59 -4.94 115.26 105.78 2csf n ASN 46 Ca 0.06 0.21 -0.18 0.00 -0.60 0.00 0.00 54.58 54.07 2csf n ASN 46 Cb 0.30 -4.61 0.08 0.00 -0.53 0.00 0.00 39.78 35.02 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 -2.67 0.41 -3.42 1.20 4.76 0.89 -4.82 118.16 114.51 2csf n LYS 47 Ca -0.21 -2.63 -0.36 0.00 -2.87 0.00 0.00 58.31 52.24 2csf n LYS 47 Cb 0.66 -0.35 -0.06 0.00 -1.84 0.00 0.00 35.03 33.45 2csf n LYS 47 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2csf s SER 48 N -4.32 6.80 0.20 4.39 1.04 -1.26 -3.78 113.70 116.76 2csf s SER 48 Ca 0.55 1.01 -0.12 0.00 0.48 0.00 0.00 55.95 57.88 2csf s SER 48 Cb -0.04 -2.26 0.24 0.00 0.10 0.00 0.00 66.02 64.06 2csf s SER 48 CO 0.36 0.16 1.24 1.67 0.98 0.00 0.00 173.24 177.64 2csf n GLN 49 N 1.01 -0.15 -0.32 4.02 7.27 -1.26 0.14 117.38 128.09 2csf n GLN 49 Ca -0.07 1.23 0.18 0.00 0.07 0.00 0.00 57.00 58.41 2csf n GLN 49 Cb 0.52 -1.83 0.38 0.00 2.41 0.00 0.00 30.24 31.72 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 1.68 1.99 1.69 0.00 -1.93 1.10 103.07 107.60 2csf h GLY 50 Ca 0.31 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 2csf h GLY 50 CO -0.80 -0.45 -0.31 -0.25 0.00 0.00 0.00 176.54 174.73 2csf h TRP 51 N 0.23 0.01 0.00 5.60 7.01 0.88 -2.77 115.95 126.92 2csf h TRP 51 Ca 0.64 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.63 2csf h TRP 51 Cb 1.40 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.46 2csf h TRP 51 CO -0.17 0.32 -0.15 1.25 -2.79 0.00 0.00 178.44 176.90 2csf h LEU 52 N 0.01 0.00 -0.93 0.65 7.12 0.12 -3.28 115.31 119.00 2csf h LEU 52 Ca -0.00 -0.13 0.16 0.00 0.13 0.00 0.00 57.88 58.04 2csf h LEU 52 Cb 0.56 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 40.53 2csf h LEU 52 CO 0.04 0.65 -0.32 0.00 -0.13 0.00 0.00 178.44 178.67 2csf h GLU 54 N -0.02 -0.42 -0.95 0.00 5.08 -1.66 -0.07 114.58 116.54 2csf h GLU 54 Ca 0.38 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 59.05 2csf h GLU 54 Cb 0.63 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.81 2csf h GLU 54 CO -0.95 -0.28 0.20 -0.07 -1.00 0.00 0.00 179.01 176.91 2csf h LEU 55 N -0.44 -0.16 -0.61 1.33 4.07 -0.90 1.90 115.31 120.49 2csf h LEU 55 Ca 0.09 0.25 -0.08 0.00 0.08 0.00 0.00 57.88 58.22 2csf h LEU 55 Cb 0.58 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 2csf h LEU 55 CO -0.37 -0.30 -0.37 -0.07 -1.08 0.00 0.00 178.44 176.26 2csf h LEU 56 N 0.08 0.00 0.12 1.67 3.38 -0.90 0.33 115.31 119.99 2csf h LEU 56 Ca 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 2csf h LEU 56 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2csf h LEU 56 CO -0.80 0.37 -0.06 -0.09 0.09 0.00 0.00 178.44 177.95 2csf h ARG 57 N 0.00 -0.16 0.04 1.13 2.43 0.45 -3.39 114.38 114.89 2csf h ARG 57 Ca -0.00 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2csf h ARG 57 Cb 1.04 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2csf h ARG 57 CO 0.05 -0.01 -0.47 -1.49 -1.51 0.00 0.00 179.97 176.54 2csf h TRP 58 N -1.03 0.40 -6.10 2.20 4.06 -0.34 -3.48 115.95 111.66 2csf h TRP 58 Ca -0.02 -0.25 -0.42 0.00 2.06 0.00 0.00 58.89 60.26 2csf h TRP 58 Cb 0.23 -0.03 0.05 0.00 -1.00 0.00 0.00 29.16 28.40 2csf h TRP 58 CO 0.03 1.11 -0.81 1.63 -3.56 0.00 0.00 178.44 176.83 2csf n LYS 59 N -4.33 -5.15 -0.21 0.49 5.02 0.12 -4.95 118.16 109.15 2csf n LYS 59 Ca -0.11 0.63 -0.08 0.00 -2.02 0.00 0.00 58.31 56.73 2csf n LYS 59 Cb 0.64 -5.27 0.08 0.00 -0.02 0.00 0.00 35.03 30.46 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 -4.35 -1.12 -3.54 1.97 1.02 -1.26 -4.92 120.64 108.44 2csf n GLU 60 Ca -0.24 -0.40 -0.40 0.00 -0.02 0.00 0.00 57.16 56.10 2csf n GLU 60 Cb 0.65 -0.72 -0.11 0.00 -0.02 0.00 0.00 31.44 31.25 2csf n GLU 60 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2csf s ASN 61 N -1.88 6.03 0.37 1.62 2.47 -1.26 -4.89 114.94 117.40 2csf s ASN 61 Ca 0.18 -0.45 -0.26 0.00 0.42 0.00 0.00 52.86 52.75 2csf s ASN 61 Cb -0.03 -2.13 -0.09 0.00 -1.45 0.00 0.00 41.25 37.55 2csf s ASN 61 CO 0.15 -0.24 1.20 -2.16 -3.72 0.00 0.00 177.10 172.33 2csf s PRO 62 N 1.71 4.17 0.03 0.43 0.04 -1.26 -5.01 135.00 135.11 2csf s PRO 62 Ca 0.06 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 2csf s PRO 62 Cb -0.17 -2.81 0.09 0.00 0.04 0.00 0.00 34.50 31.64 2csf s PRO 62 CO 0.10 -0.25 0.77 -1.12 0.04 0.00 0.00 177.00 176.54 2csf s SER 63 N -0.95 -0.47 0.00 6.66 0.01 -1.26 -4.88 113.70 112.80 2csf s SER 63 Ca 0.54 0.12 0.15 0.00 1.31 0.00 0.00 55.95 58.08 2csf s SER 63 Cb -0.33 0.47 0.90 0.00 0.21 0.00 0.00 66.02 67.27 2csf s SER 63 CO 0.42 -0.71 1.32 -0.81 0.41 0.00 0.00 173.24 173.87 2csf n PRO 64 N -0.06 0.49 0.02 12.44 -0.04 -1.26 -2.62 135.00 143.96 2csf n PRO 64 Ca -0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.13 2csf n PRO 64 Cb 0.62 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.26 -6.42 0.54 5.08 -1.99 -3.44 114.58 108.60 2csf h GLU 65 Ca 0.00 -0.45 -0.58 0.00 -1.00 0.00 0.00 59.36 57.33 2csf h GLU 65 Cb 0.00 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 2csf h GLU 65 CO 0.00 1.15 0.75 1.21 -1.00 0.00 0.00 179.01 181.12 2csf s ASN 66 N -6.98 6.56 0.00 1.42 3.84 -1.08 -4.94 114.94 113.76 2csf s ASN 66 Ca -0.19 0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.17 2csf s ASN 66 Cb 0.07 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 2csf s ASN 66 CO 0.79 -1.15 0.46 0.54 -2.79 0.00 0.00 177.10 174.95 2csf n ARG 67 N 7.50 0.00 -0.58 0.43 5.12 -1.26 0.11 116.66 127.97 2csf n ARG 67 Ca 0.09 0.49 0.46 0.00 -1.93 0.00 0.00 57.85 56.97 2csf n ARG 67 Cb 0.49 -1.22 0.77 0.00 -1.16 0.00 0.00 32.46 31.33 2csf n ARG 67 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2csf h THR 68 N 0.00 0.09 0.00 0.55 2.02 -1.99 0.47 112.91 114.05 2csf h THR 68 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2csf h THR 68 Cb 0.00 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2csf h THR 68 CO 0.00 0.00 -0.10 0.25 0.37 0.00 0.00 175.52 176.05 2csf h LEU 69 N 0.02 0.00 -0.81 2.58 5.85 -1.95 -3.32 115.31 117.68 2csf h LEU 69 Ca 0.86 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.74 2csf h LEU 69 Cb 3.25 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 44.12 2csf h LEU 69 CO -0.13 0.16 -0.20 -0.25 -0.34 0.00 0.00 178.44 177.67 2csf h TRP 70 N -0.22 -0.43 -0.00 1.25 2.91 0.13 0.19 115.95 119.78 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 0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2csf h TRP 70 CO -0.04 -0.35 -0.00 0.93 -1.03 0.00 0.00 178.44 177.95 2csf h GLU 71 N -0.00 -0.00 -0.25 2.65 5.08 -0.22 0.36 114.58 122.21 2csf h GLU 71 Ca 0.39 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.81 2csf h GLU 71 Cb 0.59 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2csf h GLU 71 CO -0.83 -0.00 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.01 2csf h ASN 72 N -0.00 -0.83 0.00 1.42 2.35 -1.51 0.35 115.58 117.36 2csf h ASN 72 Ca 0.00 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2csf h ASN 72 Cb 0.00 0.39 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2csf h ASN 72 CO -0.00 -0.29 0.21 -0.07 -1.65 0.00 0.00 177.43 175.62 2csf h LEU 73 N -0.27 0.00 0.01 1.61 3.38 -0.41 -1.23 115.31 118.40 2csf h LEU 73 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2csf h LEU 73 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2csf h LEU 73 CO -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.13 2csf h THR 75 N -0.81 1.25 0.00 0.00 1.03 -0.91 -2.35 112.91 111.13 2csf h THR 75 Ca -0.00 -0.85 -0.08 0.00 -0.01 0.00 0.00 66.41 65.47 2csf h THR 75 Cb 0.78 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.27 2csf h THR 75 CO 0.00 0.34 -0.40 0.40 -0.01 0.00 0.00 175.52 175.85 2csf h ILE 76 N 1.07 1.26 -0.42 0.00 2.04 -1.49 -2.83 117.51 117.15 2csf h ILE 76 Ca 0.24 -1.39 -0.10 0.00 1.00 0.00 0.00 64.86 64.61 2csf h ILE 76 Cb 0.26 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2csf h ILE 76 CO -0.01 0.39 -0.11 -0.09 0.00 0.00 0.00 178.15 178.33 2csf h ARG 77 N 0.00 0.81 -0.08 2.37 9.65 -0.96 -2.88 114.38 123.29 2csf h ARG 77 Ca -0.00 -0.32 -0.07 0.00 -1.10 0.00 0.00 59.98 58.49 2csf h ARG 77 Cb 0.72 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2csf h ARG 77 CO 0.05 0.94 -0.28 0.00 2.80 0.00 0.00 179.97 183.48 2csf h ARG 78 N 0.63 0.14 0.02 0.20 3.08 -1.33 -2.89 114.38 114.23 2csf h ARG 78 Ca 0.10 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2csf h ARG 78 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2csf h ARG 78 CO 0.04 0.42 -0.01 0.35 -1.07 0.00 0.00 179.97 179.70 2csf h PHE 79 N 0.13 -0.03 -0.05 3.04 3.04 -1.30 -2.59 116.94 119.18 2csf h PHE 79 Ca 0.02 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2csf h PHE 79 Cb 0.57 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 2csf h PHE 79 CO 0.01 0.10 0.00 -0.07 -2.02 0.00 0.00 178.31 176.33 2csf h LEU 80 N -0.15 0.06 -0.99 0.59 3.38 -1.41 -0.32 115.31 116.47 2csf h LEU 80 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2csf h LEU 80 Cb 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2csf h LEU 80 CO 0.00 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.20 2csf n ASN 81 N -4.50 0.52 -4.81 -0.43 3.02 -0.98 -4.70 115.26 103.38 2csf n ASN 81 Ca -0.02 0.69 -0.33 0.00 -0.03 0.00 0.00 54.58 54.89 2csf n ASN 81 Cb 0.11 -0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 2csf n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2csf s LEU 82 N -4.29 3.59 0.50 3.41 1.43 -0.13 -5.02 118.68 118.16 2csf s LEU 82 Ca 0.01 1.80 -0.21 0.00 -1.03 0.00 0.00 54.13 54.69 2csf s LEU 82 Cb 0.07 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2csf s LEU 82 CO 0.25 -1.00 1.15 -2.16 0.23 0.00 0.00 176.35 174.82 2csf s PRO 83 N -3.91 3.57 0.30 1.29 0.04 -1.26 -4.74 135.00 130.29 2csf s PRO 83 Ca 0.63 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.41 2csf s PRO 83 Cb -0.15 -2.22 0.76 0.00 0.04 0.00 0.00 34.50 32.94 2csf s PRO 83 CO 0.33 -0.69 1.67 0.37 0.04 0.00 0.00 177.00 178.72 2csf h GLN 84 N 1.65 0.31 0.00 4.56 5.75 -1.95 0.95 115.11 126.38 2csf h GLN 84 Ca -0.50 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2csf h GLN 84 Cb 1.25 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 2csf h GLN 84 CO 0.59 0.20 -0.03 1.12 -2.65 0.00 0.00 178.83 178.06 2csf h HIS 85 N 0.32 0.00 0.02 3.99 2.07 -2.00 -1.94 115.15 117.62 2csf h HIS 85 Ca 0.58 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.10 2csf h HIS 85 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 2csf h HIS 85 CO -0.17 0.03 -0.01 0.93 -3.07 0.00 0.00 177.93 175.64 2csf h GLU 86 N 0.00 -0.03 -0.94 5.12 4.39 0.56 -3.17 114.58 120.51 2csf h GLU 86 Ca -0.00 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.96 2csf h GLU 86 Cb 0.06 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.55 2csf h GLU 86 CO 0.00 -0.02 0.08 0.00 -1.16 0.00 0.00 179.01 177.92 2csf h ARG 87 N -0.28 0.06 -0.84 2.33 3.08 -1.31 1.13 114.38 118.54 2csf h ARG 87 Ca -0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2csf h ARG 87 Cb 0.02 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 2csf h ARG 87 CO 0.00 0.04 0.55 -0.44 -1.07 0.00 0.00 179.97 179.05 2csf h ASP 88 N 0.06 0.77 -0.10 7.04 3.32 -1.50 -1.48 116.42 124.53 2csf h ASP 88 Ca 0.58 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.62 2csf h ASP 88 Cb 1.18 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 2csf h ASP 88 CO -0.83 0.47 -0.02 0.58 -1.72 0.00 0.00 179.24 177.72 2csf h VAL 89 N 0.86 1.28 -0.20 -1.35 2.07 0.13 -1.52 116.25 117.52 2csf h VAL 89 Ca 0.38 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2csf h VAL 89 Cb 0.35 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2csf h VAL 89 CO -0.15 0.26 -0.03 0.40 0.02 0.00 0.00 177.57 178.07 2csf h ILE 90 N -0.13 0.83 -0.25 4.57 2.04 -0.78 0.16 117.51 123.95 2csf h ILE 90 Ca 0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2csf h ILE 90 Cb 0.41 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2csf h ILE 90 CO 0.01 0.00 0.16 1.88 0.00 0.00 0.00 178.15 180.20 2csf h TYR 91 N 0.03 0.32 0.85 1.37 0.05 -1.30 -0.24 116.97 118.04 2csf h TYR 91 Ca 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 2csf h TYR 91 Cb 0.13 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.77 2csf h TYR 91 CO -0.20 0.22 -0.43 0.93 -1.05 0.00 0.00 178.16 177.63 2csf h GLU 92 N 0.32 -1.13 -0.71 4.88 4.39 -0.92 0.37 114.58 121.78 2csf h GLU 92 Ca 0.09 0.08 0.13 0.00 0.34 0.00 0.00 59.36 60.00 2csf h GLU 92 Cb -0.01 0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 2csf h GLU 92 CO -0.02 -0.76 0.26 0.93 -1.16 0.00 0.00 179.01 178.26 2csf h GLU 93 N -1.18 0.39 0.24 2.33 4.39 -0.66 -3.02 114.58 117.07 2csf h GLU 93 Ca -0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2csf h GLU 93 Cb 0.91 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2csf h GLU 93 CO 0.18 0.26 -0.11 1.49 -1.16 0.00 0.00 179.01 179.66 2csf h GLU 94 N 0.40 -0.31 -4.96 2.33 4.57 -0.86 -3.44 114.58 112.32 2csf h GLU 94 Ca 0.38 0.02 -0.65 0.00 -1.18 0.00 0.00 59.36 57.94 2csf h GLU 94 Cb 0.56 0.07 -0.35 0.00 -0.16 0.00 0.00 28.75 28.87 2csf h GLU 94 CO -0.39 -0.20 -0.85 0.45 -1.18 0.00 0.00 179.01 176.83 2csf s SER 95 N -3.02 2.96 -0.29 1.04 0.15 0.13 -5.09 113.70 109.58 2csf s SER 95 Ca -0.05 -0.58 -0.07 0.00 0.70 0.00 0.00 55.95 55.95 2csf s SER 95 Cb 0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2csf s SER 95 CO 0.14 0.00 0.08 -0.55 1.20 0.00 0.00 173.24 174.11 2csf s SER 96 N 1.24 5.14 0.00 5.45 0.15 -1.21 -4.01 113.70 120.46 2csf s SER 96 Ca 0.02 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2csf s SER 96 Cb -0.14 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2csf s SER 96 CO -0.10 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2csf n GLY 97 N 4.88 3.28 0.27 9.45 0.00 -1.26 -5.03 105.19 116.78 2csf n GLY 97 Ca -0.15 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.94 -6.00 1.61 0.13 -1.96 -3.48 132.00 123.25 2csf h PRO 98 Ca 0.00 -0.50 -0.42 0.00 -0.87 0.00 0.00 66.00 64.21 2csf h PRO 98 Cb 0.00 0.02 0.08 0.00 0.13 0.00 0.00 31.00 31.23 2csf h PRO 98 CO 0.00 1.15 -0.71 0.45 -0.23 0.00 0.00 178.00 178.66 2csf n SER 99 N -4.06 -5.78 -0.16 1.44 2.88 -1.26 -4.89 113.62 101.79 2csf n SER 99 Ca -0.02 -0.62 -0.08 0.00 -1.33 0.00 0.00 58.87 56.82 2csf n SER 99 Cb 0.54 -4.65 0.01 0.00 -0.75 0.00 0.00 64.21 59.36 2csf n SER 99 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2csf h SER 100 N -2.49 0.60 0.00 -3.46 4.64 -2.00 -3.52 113.55 107.32 2csf h SER 100 Ca -0.57 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2csf h SER 100 Cb 1.37 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2csf h SER 100 CO 0.60 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.70