#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 6.75 0.09 1.61 1.04 -1.26 -4.92 113.70 117.01 2csf s SER 2 Ca 0.00 2.61 -0.31 0.00 0.48 0.00 0.00 55.95 58.73 2csf s SER 2 Cb 0.00 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 2csf s SER 2 CO 0.00 -0.60 1.84 -0.44 0.98 0.00 0.00 173.24 175.01 2csf s SER 3 N 0.06 6.45 -0.28 7.02 0.01 -1.26 -4.94 113.70 120.76 2csf s SER 3 Ca 0.55 2.70 -0.29 0.00 1.31 0.00 0.00 55.95 60.22 2csf s SER 3 Cb -0.40 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.47 2csf s SER 3 CO 0.45 -1.00 1.35 -0.83 0.41 0.00 0.00 173.24 173.63 2csf s GLY 4 N 3.08 0.09 -1.18 3.44 0.00 -1.26 -5.08 107.32 106.41 2csf s GLY 4 Ca 0.82 2.85 -0.14 0.00 0.00 0.00 0.00 44.72 48.24 2csf s GLY 4 CO 0.37 1.14 1.40 -1.35 0.00 0.00 0.00 173.10 174.66 2csf s SER 5 N -0.97 7.04 -0.59 1.64 1.04 -1.26 -4.96 113.70 115.63 2csf s SER 5 Ca 0.09 -2.94 -0.26 0.00 0.48 0.00 0.00 55.95 53.32 2csf s SER 5 Cb -0.01 -2.40 -0.10 0.00 0.10 0.00 0.00 66.02 63.61 2csf s SER 5 CO -0.08 -0.76 2.44 -1.20 0.98 0.00 0.00 173.24 174.62 2csf n SER 6 N 5.64 1.99 -1.96 7.02 7.64 -1.26 -4.30 113.62 128.39 2csf n SER 6 Ca 0.35 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2csf n SER 6 Cb 0.43 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2csf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2csf n GLY 7 N 6.18 -5.27 3.77 0.23 0.00 -1.26 -4.80 105.19 104.03 2csf n GLY 7 Ca 0.42 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.91 3.88 -0.58 1.61 0.04 -1.26 -3.71 135.00 134.07 2csf s PRO 8 Ca 0.00 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 2csf s PRO 8 Cb 0.00 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 32.02 2csf s PRO 8 CO 0.00 -0.46 0.09 -0.89 0.04 0.00 0.00 177.00 175.78 2csf n ILE 9 N -0.24 -0.62 -3.62 0.56 5.41 -1.26 -4.86 119.36 114.74 2csf n ILE 9 Ca 0.06 -0.21 -0.28 0.00 1.00 0.00 0.00 62.75 63.31 2csf n ILE 9 Cb 0.47 -0.57 -0.03 0.00 -0.71 0.00 0.00 39.64 38.80 2csf n ILE 9 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2csf s LYS 10 N -5.20 3.56 0.50 0.38 2.47 -1.24 -5.11 119.74 115.10 2csf s LYS 10 Ca 0.07 -0.22 0.09 0.00 -1.56 0.00 0.00 55.97 54.35 2csf s LYS 10 Cb -0.04 -2.80 0.05 0.00 -1.46 0.00 0.00 37.83 33.58 2csf s LYS 10 CO 0.40 0.38 0.68 0.14 0.16 0.00 0.00 175.35 177.11 2csf s VAL 11 N -1.87 2.52 0.00 4.02 -7.23 -1.26 -5.07 120.40 111.52 2csf s VAL 11 Ca 0.40 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 2csf s VAL 11 Cb -0.11 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2csf s VAL 11 CO 0.28 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.54 2csf n ASP 12 N -2.05 1.17 -2.98 4.85 8.00 -1.26 -5.09 116.55 119.19 2csf n ASP 12 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2csf n ASP 12 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2csf n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2csf n GLY 13 N 2.87 0.13 1.94 0.44 0.00 -1.26 -4.98 105.19 104.33 2csf n GLY 13 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf n ALA 14 N -3.00 5.30 -3.67 4.61 0.00 -1.26 -4.90 120.51 117.60 2csf n ALA 14 Ca 0.00 -3.54 -0.38 0.00 0.00 0.00 0.00 53.44 49.52 2csf n ALA 14 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 2csf n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2csf s ASN 15 N -2.78 5.43 0.09 0.00 2.20 -1.26 -5.07 114.94 113.55 2csf s ASN 15 Ca 0.54 -2.89 -0.22 0.00 -0.94 0.00 0.00 52.86 49.35 2csf s ASN 15 Cb 0.44 -1.90 -0.07 0.00 -2.00 0.00 0.00 41.25 37.73 2csf s ASN 15 CO 0.02 -0.38 0.66 -0.63 -2.94 0.00 0.00 177.10 173.82 2csf s ILE 16 N -0.12 4.65 -0.39 0.54 1.01 -1.26 -5.01 121.20 120.61 2csf s ILE 16 Ca 0.18 1.41 -0.06 0.00 0.00 0.00 0.00 60.65 62.18 2csf s ILE 16 Cb -0.19 -4.00 0.08 0.00 0.01 0.00 0.00 42.46 38.37 2csf s ILE 16 CO -0.04 0.51 0.20 0.21 0.00 0.00 0.00 174.94 175.81 2csf s ASN 17 N -0.89 5.41 0.25 3.58 3.84 -1.26 -5.09 114.94 120.79 2csf s ASN 17 Ca 0.32 -1.60 -0.25 0.00 0.21 0.00 0.00 52.86 51.55 2csf s ASN 17 Cb -0.21 -1.90 -0.09 0.00 -0.55 0.00 0.00 41.25 38.51 2csf s ASN 17 CO 0.21 -0.49 0.85 -0.63 -2.79 0.00 0.00 177.10 174.26 2csf s ILE 18 N 1.32 4.31 0.02 -5.21 -1.09 -1.26 -5.07 121.20 114.22 2csf s ILE 18 Ca 0.03 1.71 -0.05 0.00 -2.23 0.00 0.00 60.65 60.10 2csf s ILE 18 Cb -0.22 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2csf s ILE 18 CO -0.00 0.29 0.09 0.42 -1.23 0.00 0.00 174.94 174.51 2csf s THR 19 N -1.43 0.11 0.42 2.92 -4.23 -1.26 -4.85 115.64 107.31 2csf s THR 19 Ca 0.44 -0.89 0.26 0.00 -1.18 0.00 0.00 61.69 60.32 2csf s THR 19 Cb -0.20 -0.58 0.45 0.00 1.34 0.00 0.00 72.50 73.51 2csf s THR 19 CO 0.25 -0.49 1.68 0.00 -0.54 0.00 0.00 174.62 175.52 2csf h ALA 20 N 4.11 2.54 -1.11 3.99 0.00 -1.89 0.37 119.26 127.26 2csf h ALA 20 Ca -0.32 0.09 0.32 0.00 0.00 0.00 0.00 54.91 55.01 2csf h ALA 20 Cb 1.19 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 2csf h ALA 20 CO 0.44 -1.08 0.70 0.00 0.00 0.00 0.00 179.25 179.32 2csf h ALA 21 N 1.61 2.32 -1.08 0.00 0.00 -1.98 0.25 119.26 120.39 2csf h ALA 21 Ca 0.73 0.09 0.42 0.00 0.00 0.00 0.00 54.91 56.15 2csf h ALA 21 Cb 2.15 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 19.87 2csf h ALA 21 CO -0.37 -0.82 0.62 1.51 0.00 0.00 0.00 179.25 180.20 2csf n ILE 22 N -4.70 -0.35 -0.02 0.00 3.06 0.13 0.11 119.36 117.58 2csf n ILE 22 Ca 0.29 1.89 -0.12 0.00 -2.50 0.00 0.00 62.75 62.31 2csf n ILE 22 Cb 1.04 -3.07 -0.06 0.00 0.54 0.00 0.00 39.64 38.08 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 0.15 -0.13 9.51 0.05 -1.15 -2.60 116.97 122.81 2csf h TYR 23 Ca 0.83 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.62 2csf h TYR 23 Cb 2.34 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 40.01 2csf h TYR 23 CO -0.01 0.26 -0.03 -0.44 -1.05 0.00 0.00 178.16 176.89 2csf h ASP 24 N -0.00 -0.12 -0.91 3.88 3.32 0.57 -1.78 116.42 121.38 2csf h ASP 24 Ca 0.03 0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.30 2csf h ASP 24 Cb 0.17 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 2csf h ASP 24 CO -0.00 -0.04 0.59 -0.33 -1.72 0.00 0.00 179.24 177.73 2csf h GLU 25 N -0.00 0.53 -0.59 3.56 5.08 -1.27 0.40 114.58 122.29 2csf h GLU 25 Ca 0.06 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2csf h GLU 25 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2csf h GLU 25 CO -0.13 0.35 -0.03 0.82 -1.00 0.00 0.00 179.01 179.02 2csf h ILE 26 N 0.55 1.27 -0.32 3.13 2.04 -0.93 0.26 117.51 123.50 2csf h ILE 26 Ca 0.47 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2csf h ILE 26 Cb 0.97 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2csf h ILE 26 CO -0.21 0.43 0.15 1.56 0.00 0.00 0.00 178.15 180.07 2csf h GLN 27 N 0.96 0.47 -0.02 2.37 4.20 -0.47 -2.74 115.11 119.88 2csf h GLN 27 Ca 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2csf h GLN 27 Cb 0.59 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2csf h GLN 27 CO 0.04 0.45 -0.06 1.96 -0.67 0.00 0.00 178.83 180.55 2csf h GLN 28 N 0.38 0.07 -1.02 1.46 4.20 -1.30 -3.21 115.11 115.68 2csf h GLN 28 Ca 0.11 -0.05 0.35 0.00 0.06 0.00 0.00 58.65 59.12 2csf h GLN 28 Cb 0.14 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 27.77 2csf h GLN 28 CO -0.01 0.68 0.58 1.49 -0.67 0.00 0.00 178.83 180.90 2csf h GLU 29 N -0.53 0.24 0.52 1.46 4.57 -0.48 0.39 114.58 120.76 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 0.68 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2csf h GLU 29 CO 0.01 0.16 -0.25 0.52 -1.18 0.00 0.00 179.01 178.27 2csf h MET 30 N 0.25 -0.67 0.00 1.92 2.86 -1.49 0.56 114.93 118.36 2csf h MET 30 Ca 0.76 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.43 2csf h MET 30 Cb 1.84 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.65 2csf h MET 30 CO -0.62 -0.39 -0.09 1.57 1.06 0.00 0.00 176.91 178.43 2csf h LYS 31 N -0.83 0.00 0.15 1.72 5.09 -0.88 1.31 116.57 123.12 2csf h LYS 31 Ca -0.07 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.37 2csf h LYS 31 Cb 0.59 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.93 2csf h LYS 31 CO 0.12 0.09 -1.40 -0.09 -2.09 0.00 0.00 179.45 176.08 2csf h ARG 32 N 0.00 0.31 0.00 0.07 9.65 -0.06 -3.31 114.38 121.05 2csf h ARG 32 Ca -0.00 -0.53 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2csf h ARG 32 Cb 0.22 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2csf h ARG 32 CO 0.01 1.22 -0.81 0.00 2.80 0.00 0.00 179.97 183.20 2csf n ALA 33 N -2.62 3.27 -2.86 2.80 0.00 0.19 -4.97 120.51 116.33 2csf n ALA 33 Ca -0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 2csf n ALA 33 Cb 1.05 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.94 -3.10 -4.62 0.00 4.76 0.44 -4.99 118.16 108.70 2csf n LYS 34 Ca 0.03 0.34 -0.29 0.00 -2.87 0.00 0.00 58.31 55.52 2csf n LYS 34 Cb 0.42 -3.86 -0.08 0.00 -1.84 0.00 0.00 35.03 29.66 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 -3.13 1.02 0.33 -0.18 -7.23 -0.43 -4.85 120.40 105.93 2csf s VAL 35 Ca 0.18 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 2csf s VAL 35 Cb -0.08 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2csf s VAL 35 CO 0.29 0.00 0.21 -0.55 -0.31 0.00 0.00 175.10 174.74 2csf s SER 36 N -3.72 4.98 0.48 4.85 0.15 -1.26 -4.53 113.70 114.65 2csf s SER 36 Ca 0.18 -0.63 0.23 0.00 0.70 0.00 0.00 55.95 56.43 2csf s SER 36 Cb 0.03 -0.86 1.26 0.00 -1.71 0.00 0.00 66.02 64.74 2csf s SER 36 CO 0.10 -0.31 1.92 1.56 1.20 0.00 0.00 173.24 177.71 2csf h GLN 37 N 1.41 0.20 -0.10 5.44 4.20 -1.96 -0.77 115.11 123.53 2csf h GLN 37 Ca -0.44 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.22 2csf h GLN 37 Cb 1.25 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 2csf h GLN 37 CO 0.61 0.13 -0.07 0.00 -0.67 0.00 0.00 178.83 178.83 2csf h ALA 38 N 1.64 0.14 0.53 3.87 0.00 -1.93 -2.27 119.26 121.25 2csf h ALA 38 Ca 0.37 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2csf h ALA 38 Cb 1.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2csf h ALA 38 CO -0.07 -0.06 -0.26 1.25 0.00 0.00 0.00 179.25 180.11 2csf h LEU 39 N -0.16 -0.60 -0.99 0.00 7.12 -1.56 0.30 115.31 119.41 2csf h LEU 39 Ca 0.02 0.02 0.29 0.00 0.13 0.00 0.00 57.88 58.34 2csf h LEU 39 Cb 0.54 0.16 -0.14 0.00 -0.53 0.00 0.00 40.66 40.69 2csf h LEU 39 CO 0.02 -0.39 0.55 0.15 -0.13 0.00 0.00 178.44 178.64 2csf h PHE 40 N -0.80 0.91 0.00 1.25 3.04 -1.37 1.33 116.94 121.31 2csf h PHE 40 Ca -0.07 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 2csf h PHE 40 Cb 0.55 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2csf h PHE 40 CO 0.08 -0.10 -0.18 0.00 -2.02 0.00 0.00 178.31 176.09 2csf h ALA 41 N 1.80 0.91 0.00 2.41 0.00 -1.30 0.17 119.26 123.26 2csf h ALA 41 Ca 0.69 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 2csf h ALA 41 Cb 1.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2csf h ALA 41 CO -0.57 0.22 -0.79 -0.22 0.00 0.00 0.00 179.25 177.89 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.54 1.58 116.57 121.80 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 1.01 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2csf h LYS 42 CO 0.02 0.46 -1.78 1.33 -2.81 0.00 0.00 179.45 176.67 2csf n VAL 43 N -3.13 0.00 -0.05 2.00 0.24 0.78 -3.35 118.33 114.82 2csf n VAL 43 Ca -0.01 -0.40 -0.04 0.00 -2.04 0.00 0.00 64.34 61.85 2csf n VAL 43 Cb 0.77 0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 33.29 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 -2.09 0.37 0.72 2.33 0.00 0.58 -4.68 120.51 117.74 2csf n ALA 44 Ca -0.03 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.09 2csf n ALA 44 Cb 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.33 3.45 -2.18 0.00 0.00 -0.89 -4.36 120.51 113.20 2csf n ALA 45 Ca -0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 2csf n ALA 45 Cb 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.52 -5.57 -5.02 0.00 2.85 0.51 -4.94 115.26 102.56 2csf n ASN 46 Ca 0.05 0.10 -0.21 0.00 -0.11 0.00 0.00 54.58 54.42 2csf n ASN 46 Cb 0.31 -4.65 0.06 0.00 1.24 0.00 0.00 39.78 36.74 2csf n ASN 46 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2csf s LYS 47 N -4.67 2.23 0.16 1.20 -0.14 0.62 -4.84 119.74 114.31 2csf s LYS 47 Ca 0.00 -1.75 -0.16 0.00 -1.36 0.00 0.00 55.97 52.71 2csf s LYS 47 Cb 0.00 -2.57 -0.07 0.00 -1.68 0.00 0.00 37.83 33.51 2csf s LYS 47 CO 0.00 -0.92 0.60 -1.12 -0.76 0.00 0.00 175.35 173.15 2csf s SER 48 N -4.67 6.90 0.17 2.83 0.01 -1.26 -3.77 113.70 113.91 2csf s SER 48 Ca 0.59 1.17 -0.16 0.00 1.31 0.00 0.00 55.95 58.86 2csf s SER 48 Cb -0.05 -2.33 0.13 0.00 0.21 0.00 0.00 66.02 63.99 2csf s SER 48 CO 0.38 0.09 1.20 1.67 0.41 0.00 0.00 173.24 176.99 2csf n GLN 49 N 0.83 -0.22 -0.32 12.44 7.27 -1.26 0.14 117.38 136.26 2csf n GLN 49 Ca -0.05 1.19 0.22 0.00 0.07 0.00 0.00 57.00 58.43 2csf n GLN 49 Cb 0.52 -1.76 0.43 0.00 2.41 0.00 0.00 30.24 31.84 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 1.82 1.60 1.69 0.00 -1.93 1.18 103.07 107.43 2csf h GLY 50 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 2csf h GLY 50 CO -0.76 -0.56 -0.16 -0.25 0.00 0.00 0.00 176.54 174.81 2csf h TRP 51 N 0.15 0.52 0.04 5.60 7.01 0.91 -2.67 115.95 127.50 2csf h TRP 51 Ca 0.70 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 61.61 2csf h TRP 51 Cb 1.63 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.55 2csf h TRP 51 CO -0.16 0.62 -0.02 1.25 -2.79 0.00 0.00 178.44 177.34 2csf h LEU 52 N 0.44 -0.05 -0.93 0.65 7.12 0.14 -3.24 115.31 119.44 2csf h LEU 52 Ca 0.08 -0.12 0.18 0.00 0.13 0.00 0.00 57.88 58.14 2csf h LEU 52 Cb 0.54 0.01 -0.17 0.00 -0.53 0.00 0.00 40.66 40.51 2csf h LEU 52 CO 0.03 0.50 -0.26 0.00 -0.13 0.00 0.00 178.44 178.59 2csf h GLU 54 N -0.01 -0.44 -0.98 0.00 5.08 -1.62 0.03 114.58 116.66 2csf h GLU 54 Ca 0.43 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 59.15 2csf h GLU 54 Cb 0.67 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.85 2csf h GLU 54 CO -0.96 -0.29 0.39 -0.07 -1.00 0.00 0.00 179.01 177.08 2csf h LEU 55 N -0.45 0.16 -0.24 1.33 4.07 -0.82 1.86 115.31 121.21 2csf h LEU 55 Ca 0.07 0.23 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 2csf h LEU 55 Cb 0.56 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 2csf h LEU 55 CO -0.31 -0.29 -0.47 -0.07 -1.08 0.00 0.00 178.44 176.22 2csf h LEU 56 N 0.13 0.00 0.14 1.67 3.38 -0.96 0.18 115.31 119.85 2csf h LEU 56 Ca 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 2csf h LEU 56 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2csf h LEU 56 CO -0.73 0.47 -0.07 -0.09 0.09 0.00 0.00 178.44 178.11 2csf h ARG 57 N 0.00 -0.18 0.08 1.13 2.43 0.45 -3.38 114.38 114.90 2csf h ARG 57 Ca -0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2csf h ARG 57 Cb 1.27 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2csf h ARG 57 CO 0.06 0.09 -0.57 -1.49 -1.51 0.00 0.00 179.97 176.55 2csf h TRP 58 N -1.00 0.43 -5.99 2.20 4.06 -0.40 -3.48 115.95 111.76 2csf h TRP 58 Ca -0.02 -0.29 -0.41 0.00 2.06 0.00 0.00 58.89 60.24 2csf h TRP 58 Cb 0.35 -0.03 0.08 0.00 -1.00 0.00 0.00 29.16 28.56 2csf h TRP 58 CO 0.05 1.18 -0.78 1.63 -3.56 0.00 0.00 178.44 176.97 2csf n LYS 59 N -4.27 -5.89 -0.57 0.49 5.02 0.63 -4.94 118.16 108.62 2csf n LYS 59 Ca -0.12 0.70 -0.25 0.00 -2.02 0.00 0.00 58.31 56.62 2csf n LYS 59 Cb 0.70 -5.51 0.17 0.00 -0.02 0.00 0.00 35.03 30.37 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 -4.43 -2.15 -3.14 1.97 4.71 -1.26 -4.90 120.64 111.44 2csf n GLU 60 Ca -0.19 -0.63 -0.42 0.00 -0.01 0.00 0.00 57.16 55.92 2csf n GLU 60 Cb 0.63 -1.58 -0.07 0.00 -1.01 0.00 0.00 31.44 29.41 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 -1.97 6.36 0.36 1.62 3.84 -1.26 -4.87 114.94 119.02 2csf s ASN 61 Ca 0.46 -0.07 -0.27 0.00 0.21 0.00 0.00 52.86 53.19 2csf s ASN 61 Cb -0.08 -2.31 -0.09 0.00 -0.55 0.00 0.00 41.25 38.22 2csf s ASN 61 CO 0.49 -0.63 1.21 -2.16 -2.79 0.00 0.00 177.10 173.21 2csf s PRO 62 N 2.67 4.24 0.08 0.43 0.04 -1.26 -5.02 135.00 136.18 2csf s PRO 62 Ca 0.22 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 2csf s PRO 62 Cb -0.15 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.58 2csf s PRO 62 CO 0.16 -0.20 0.69 -1.12 0.04 0.00 0.00 177.00 176.58 2csf s SER 63 N -0.87 -0.53 0.00 6.66 0.01 -1.26 -4.88 113.70 112.83 2csf s SER 63 Ca 0.52 0.13 0.16 0.00 1.31 0.00 0.00 55.95 58.07 2csf s SER 63 Cb -0.34 0.53 0.92 0.00 0.21 0.00 0.00 66.02 67.34 2csf s SER 63 CO 0.44 -0.81 1.34 -0.81 0.41 0.00 0.00 173.24 173.81 2csf n PRO 64 N -0.10 0.47 0.00 12.44 -0.04 -1.26 -2.75 135.00 143.77 2csf n PRO 64 Ca -0.15 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 2csf n PRO 64 Cb 0.63 -1.50 -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 0.25 -6.67 0.54 4.39 -1.99 -3.44 114.58 107.65 2csf h GLU 65 Ca 0.00 -0.42 -0.56 0.00 0.34 0.00 0.00 59.36 58.72 2csf h GLU 65 Cb 0.01 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 2csf h GLU 65 CO 0.00 1.20 0.94 1.21 -1.16 0.00 0.00 179.01 181.20 2csf s ASN 66 N -7.06 6.61 -0.00 1.42 3.84 -1.11 -4.94 114.94 113.71 2csf s ASN 66 Ca -0.21 0.54 -0.01 0.00 0.21 0.00 0.00 52.86 53.39 2csf s ASN 66 Cb 0.06 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 2csf s ASN 66 CO 0.76 -1.26 0.49 0.03 -2.79 0.00 0.00 177.10 174.33 2csf h ARG 67 N 9.35 -0.04 -1.62 0.43 2.47 -1.86 0.77 114.38 123.88 2csf h ARG 67 Ca -0.23 0.00 0.50 0.00 -1.26 0.00 0.00 59.98 58.99 2csf h ARG 67 Cb 1.07 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 29.29 2csf h ARG 67 CO 1.12 -0.02 1.11 1.15 0.56 0.00 0.00 179.97 183.89 2csf h THR 68 N -0.07 0.05 0.00 2.04 2.02 -1.99 0.50 112.91 115.46 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 0.03 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2csf h THR 68 CO 0.01 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 -0.82 2.58 5.85 -1.95 -3.31 115.31 117.68 2csf h LEU 69 Ca 0.88 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.76 2csf h LEU 69 Cb 3.16 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 44.03 2csf h LEU 69 CO -0.23 0.17 -0.22 -0.25 -0.34 0.00 0.00 178.44 177.57 2csf h TRP 70 N -0.25 -0.48 -0.00 1.25 2.91 0.12 0.15 115.95 119.65 2csf h TRP 70 Ca 0.00 0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2csf h TRP 70 Cb 0.10 0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2csf h TRP 70 CO -0.04 -0.36 -0.02 0.93 -1.03 0.00 0.00 178.44 177.92 2csf h GLU 71 N -0.01 -0.02 -0.28 2.65 5.08 -0.16 0.44 114.58 122.27 2csf h GLU 71 Ca 0.39 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 2csf h GLU 71 Cb 0.60 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 2csf h GLU 71 CO -0.85 -0.01 -0.29 -0.91 -1.00 0.00 0.00 179.01 175.95 2csf h ASN 72 N -0.02 -0.93 -0.01 1.42 2.35 -1.49 0.40 115.58 117.29 2csf h ASN 72 Ca 0.00 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2csf h ASN 72 Cb 0.03 0.43 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2csf h ASN 72 CO -0.02 -0.31 0.20 -0.07 -1.65 0.00 0.00 177.43 175.59 2csf h LEU 73 N -0.28 0.00 0.10 1.61 3.38 -0.48 -1.64 115.31 118.00 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 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2csf h LEU 73 CO -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.04 2csf h THR 75 N -0.75 1.26 -0.03 0.00 1.03 -1.00 -2.20 112.91 111.22 2csf h THR 75 Ca -0.01 -0.74 -0.08 0.00 -0.01 0.00 0.00 66.41 65.57 2csf h THR 75 Cb 0.56 0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 67.80 2csf h THR 75 CO 0.02 0.32 -0.36 0.40 -0.01 0.00 0.00 175.52 175.89 2csf h ILE 76 N 1.22 1.27 -0.38 0.00 2.04 -1.48 -2.52 117.51 117.66 2csf h ILE 76 Ca 0.29 -1.27 -0.13 0.00 1.00 0.00 0.00 64.86 64.75 2csf h ILE 76 Cb 0.12 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2csf h ILE 76 CO -0.04 0.37 -0.29 -0.09 0.00 0.00 0.00 178.15 178.10 2csf h ARG 77 N 0.04 0.81 -0.09 2.37 9.65 -0.76 -2.93 114.38 123.47 2csf h ARG 77 Ca 0.00 -0.36 -0.14 0.00 -1.10 0.00 0.00 59.98 58.38 2csf h ARG 77 Cb 0.66 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2csf h ARG 77 CO 0.05 0.99 -0.54 0.00 2.80 0.00 0.00 179.97 183.27 2csf h ARG 78 N 0.69 0.28 0.06 0.20 3.08 -1.21 -3.04 114.38 114.43 2csf h ARG 78 Ca 0.08 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2csf h ARG 78 Cb 0.83 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2csf h ARG 78 CO 0.07 0.75 -0.03 0.35 -1.07 0.00 0.00 179.97 180.04 2csf h PHE 79 N 0.21 -0.07 -0.08 3.04 3.04 -1.30 -2.40 116.94 119.37 2csf h PHE 79 Ca 0.00 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2csf h PHE 79 Cb 1.03 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.56 2csf h PHE 79 CO 0.02 0.00 0.06 -0.07 -2.02 0.00 0.00 178.31 176.30 2csf h LEU 80 N -0.13 0.06 -1.99 0.59 3.38 -1.53 -0.15 115.31 115.54 2csf h LEU 80 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2csf h LEU 80 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2csf h LEU 80 CO 0.01 0.05 0.00 0.78 0.09 0.00 0.00 178.44 179.37 2csf h ASN 81 N 0.08 0.00 -4.16 -0.43 2.35 -1.31 -3.43 115.58 108.68 2csf h ASN 81 Ca 0.03 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.28 2csf h ASN 81 Cb 0.04 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.49 2csf h ASN 81 CO -0.01 0.00 0.39 -0.76 -1.65 0.00 0.00 177.43 175.41 2csf s LEU 82 N -5.39 3.55 0.48 1.61 1.43 -0.07 -5.00 118.68 115.28 2csf s LEU 82 Ca -0.02 2.01 -0.22 0.00 -1.03 0.00 0.00 54.13 54.87 2csf s LEU 82 Cb 0.10 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2csf s LEU 82 CO 0.35 -1.36 1.15 -2.16 0.23 0.00 0.00 176.35 174.56 2csf s PRO 83 N -3.78 3.65 0.29 1.29 0.04 -1.26 -4.73 135.00 130.50 2csf s PRO 83 Ca 0.68 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.48 2csf s PRO 83 Cb -0.20 -2.30 0.74 0.00 0.04 0.00 0.00 34.50 32.78 2csf s PRO 83 CO 0.35 -0.63 1.64 0.37 0.04 0.00 0.00 177.00 178.77 2csf h GLN 84 N 1.81 0.20 -0.10 4.56 5.75 -1.94 1.08 115.11 126.47 2csf h GLN 84 Ca -0.50 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 2csf h GLN 84 Cb 1.25 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 2csf h GLN 84 CO 0.59 0.13 0.07 1.12 -2.65 0.00 0.00 178.83 178.09 2csf h HIS 85 N 0.21 0.09 0.05 3.99 2.07 -2.00 -1.74 115.15 117.82 2csf h HIS 85 Ca 0.57 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.09 2csf h HIS 85 Cb 1.16 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2csf h HIS 85 CO -0.25 0.06 -0.02 0.93 -3.07 0.00 0.00 177.93 175.57 2csf h GLU 86 N 0.10 -0.06 -0.93 5.12 4.39 0.82 -3.13 114.58 120.88 2csf h GLU 86 Ca 0.04 0.00 0.26 0.00 0.34 0.00 0.00 59.36 60.01 2csf h GLU 86 Cb 0.05 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.55 2csf h GLU 86 CO -0.01 -0.04 0.11 0.00 -1.16 0.00 0.00 179.01 177.91 2csf h ARG 87 N -0.30 0.07 -0.89 2.33 3.08 -1.29 0.83 114.38 118.20 2csf h ARG 87 Ca -0.01 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2csf h ARG 87 Cb 0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 2csf h ARG 87 CO 0.01 0.04 0.54 0.22 -1.07 0.00 0.00 179.97 179.71 2csf h ASP 88 N 0.07 0.80 -0.01 7.04 1.82 -1.45 -1.09 116.42 123.60 2csf h ASP 88 Ca 0.58 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 57.26 2csf h ASP 88 Cb 1.21 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.10 2csf h ASP 88 CO -0.82 0.47 0.00 0.58 -1.61 0.00 0.00 179.24 177.86 2csf h VAL 89 N 0.91 1.16 -0.33 2.25 2.07 0.71 -0.60 116.25 122.41 2csf h VAL 89 Ca 0.42 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2csf h VAL 89 Cb 0.34 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2csf h VAL 89 CO -0.23 0.12 0.05 0.40 0.02 0.00 0.00 177.57 177.93 2csf h ILE 90 N -0.18 0.81 -0.35 4.57 2.04 -0.84 0.24 117.51 123.80 2csf h ILE 90 Ca 0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2csf h ILE 90 Cb 0.20 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2csf h ILE 90 CO -0.00 0.03 0.18 1.88 0.00 0.00 0.00 178.15 180.24 2csf h TYR 91 N 0.16 0.50 0.82 1.37 0.05 -1.16 -0.04 116.97 118.67 2csf h TYR 91 Ca 0.16 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 2csf h TYR 91 Cb 0.19 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 37.78 2csf h TYR 91 CO -0.20 0.41 -0.39 0.93 -1.05 0.00 0.00 178.16 177.86 2csf h GLU 92 N 0.44 -1.06 -0.85 4.88 4.39 -0.64 0.31 114.58 122.04 2csf h GLU 92 Ca 0.12 0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.02 2csf h GLU 92 Cb 0.09 0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 28.89 2csf h GLU 92 CO -0.02 -0.70 0.46 0.93 -1.16 0.00 0.00 179.01 178.53 2csf h GLU 93 N -1.17 0.68 0.36 2.33 5.08 -0.54 -1.05 114.58 120.27 2csf h GLU 93 Ca -0.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2csf h GLU 93 Cb 0.85 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2csf h GLU 93 CO 0.19 0.45 -0.17 1.49 -1.00 0.00 0.00 179.01 179.96 2csf h GLU 94 N 0.70 -0.46 -3.16 2.33 4.57 -0.86 -3.41 114.58 114.28 2csf h GLU 94 Ca 0.44 0.03 -0.62 0.00 -1.18 0.00 0.00 59.36 58.03 2csf h GLU 94 Cb 0.55 0.11 -0.41 0.00 -0.16 0.00 0.00 28.75 28.84 2csf h GLU 94 CO -0.32 -0.31 -0.69 0.45 -1.18 0.00 0.00 179.01 176.97 2csf s SER 95 N -3.54 3.97 0.29 1.04 0.15 0.11 -5.08 113.70 110.63 2csf s SER 95 Ca -0.07 -2.85 -0.11 0.00 0.70 0.00 0.00 55.95 53.63 2csf s SER 95 Cb 0.01 -1.32 -0.07 0.00 -1.71 0.00 0.00 66.02 62.92 2csf s SER 95 CO 0.21 -0.24 0.64 -0.55 1.20 0.00 0.00 173.24 174.50 2csf s SER 96 N -0.00 6.63 0.00 5.45 0.15 -0.41 -4.46 113.70 121.06 2csf s SER 96 Ca 0.18 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2csf s SER 96 Cb -0.24 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2csf s SER 96 CO -0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2csf n GLY 97 N -0.47 1.12 0.24 9.45 0.00 -1.26 -5.04 105.19 109.23 2csf n GLY 97 Ca 0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 0.72 -5.48 1.61 0.13 -2.04 -3.40 132.00 123.54 2csf h PRO 98 Ca 0.00 -0.38 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 2csf h PRO 98 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2csf h PRO 98 CO 0.00 1.00 0.28 -1.12 -0.23 0.00 0.00 178.00 177.93 2csf s SER 99 N -6.85 4.34 -0.85 1.44 0.01 -1.26 -4.87 113.70 105.66 2csf s SER 99 Ca -0.09 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.85 2csf s SER 99 Cb 0.12 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 64.01 2csf s SER 99 CO 0.85 -3.47 0.77 -0.55 0.41 0.00 0.00 173.24 171.25 2csf s SER 100 N 9.83 6.54 0.00 2.44 0.15 -1.26 -5.13 113.70 126.27 2csf s SER 100 Ca 0.84 -2.97 0.00 0.00 0.70 0.00 0.00 55.95 54.52 2csf s SER 100 Cb -0.11 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2csf s SER 100 CO 0.05 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.64