#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 0.35 0.59 1.61 0.01 -1.26 -5.17 113.70 109.84 2csf s SER 2 Ca 0.00 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.40 2csf s SER 2 Cb 0.00 0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.49 2csf s SER 2 CO 0.00 -0.59 0.87 -0.44 0.41 0.00 0.00 173.24 173.49 2csf s SER 3 N -2.69 5.31 -0.33 2.44 0.01 -1.26 -5.09 113.70 112.09 2csf s SER 3 Ca 0.03 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.66 2csf s SER 3 Cb 0.05 -1.28 0.12 0.00 0.21 0.00 0.00 66.02 65.12 2csf s SER 3 CO -0.09 -1.20 0.18 -0.83 0.41 0.00 0.00 173.24 171.72 2csf s GLY 4 N -4.39 0.69 -0.23 3.44 0.00 -1.26 -5.08 107.32 100.49 2csf s GLY 4 Ca 0.56 -1.53 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 2csf s GLY 4 CO 0.42 2.10 0.11 -0.45 0.00 0.00 0.00 173.10 175.28 2csf s SER 5 N 1.49 2.93 -0.16 1.64 0.15 -1.26 -5.12 113.70 113.37 2csf s SER 5 Ca 0.14 -0.95 -0.01 0.00 0.70 0.00 0.00 55.95 55.84 2csf s SER 5 Cb -0.20 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.80 2csf s SER 5 CO -0.14 -0.39 -0.11 -0.44 1.20 0.00 0.00 173.24 173.36 2csf s SER 6 N 2.12 4.06 0.00 5.45 0.01 -1.26 -4.85 113.70 119.23 2csf s SER 6 Ca 0.05 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2csf s SER 6 Cb -0.16 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2csf s SER 6 CO -0.23 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2csf n GLY 7 N 3.94 -0.67 3.61 3.44 0.00 -1.26 -5.09 105.19 109.16 2csf n GLY 7 Ca -0.18 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.68 -0.86 -0.89 1.61 0.04 -1.26 -4.88 135.00 128.09 2csf s PRO 8 Ca 0.00 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.86 2csf s PRO 8 Cb 0.00 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 2csf s PRO 8 CO 0.00 -3.50 1.90 0.42 0.04 0.00 0.00 177.00 175.86 2csf s ILE 9 N -3.00 3.48 0.40 0.56 -1.09 -1.26 -4.91 121.20 115.38 2csf s ILE 9 Ca 0.70 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 2csf s ILE 9 Cb -0.12 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2csf s ILE 9 CO 0.56 -1.03 0.11 -1.59 -1.23 0.00 0.00 174.94 171.77 2csf s LYS 10 N 6.85 1.88 0.16 2.79 -2.85 -1.26 -5.15 119.74 122.15 2csf s LYS 10 Ca 0.68 -2.13 -0.07 0.00 -1.00 0.00 0.00 55.97 53.44 2csf s LYS 10 Cb -0.07 -0.68 -0.06 0.00 -2.06 0.00 0.00 37.83 34.96 2csf s LYS 10 CO 0.00 -0.42 0.43 0.08 0.10 0.00 0.00 175.35 175.54 2csf s VAL 11 N -3.22 5.08 -0.06 1.79 1.01 -1.26 -5.10 120.40 118.64 2csf s VAL 11 Ca 0.25 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2csf s VAL 11 Cb 0.04 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.87 2csf s VAL 11 CO 0.14 0.06 0.75 -0.62 0.00 0.00 0.00 175.10 175.43 2csf s ASP 12 N -2.28 -0.58 0.00 3.32 2.15 -1.26 -5.00 116.67 113.02 2csf s ASP 12 Ca 0.41 0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.98 2csf s ASP 12 Cb -0.12 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2csf s ASP 12 CO 0.22 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 2csf n GLY 13 N 0.77 4.20 0.40 2.66 0.00 -1.26 -4.99 105.19 106.96 2csf n GLY 13 Ca -0.17 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.10 -3.00 4.61 0.00 -2.06 -3.34 119.26 115.37 2csf h ALA 14 Ca 0.00 0.21 -0.66 0.00 0.00 0.00 0.00 54.91 54.46 2csf h ALA 14 Cb 0.00 1.12 -0.26 0.00 0.00 0.00 0.00 17.79 18.65 2csf h ALA 14 CO 0.00 -0.75 -0.66 0.54 0.00 0.00 0.00 179.25 178.38 2csf s ASN 15 N -5.38 4.80 -0.07 0.00 4.22 -1.26 -5.05 114.94 112.21 2csf s ASN 15 Ca -0.13 -0.43 -0.35 0.00 -2.14 0.00 0.00 52.86 49.80 2csf s ASN 15 Cb 0.17 -1.84 -0.17 0.00 1.28 0.00 0.00 41.25 40.69 2csf s ASN 15 CO 0.68 -0.07 0.99 -0.38 -2.04 0.00 0.00 177.10 176.28 2csf n ILE 16 N 4.85 0.00 -3.38 0.54 5.41 -1.26 -4.87 119.36 120.65 2csf n ILE 16 Ca -0.16 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.14 2csf n ILE 16 Cb 0.50 -0.07 -0.07 0.00 -0.71 0.00 0.00 39.64 39.30 2csf n ILE 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2csf s ASN 17 N 0.40 6.11 0.00 4.38 3.84 -1.26 -5.06 114.94 123.35 2csf s ASN 17 Ca 0.80 -1.55 -0.28 0.00 0.21 0.00 0.00 52.86 52.05 2csf s ASN 17 Cb -1.13 -2.17 -0.04 0.00 -0.55 0.00 0.00 41.25 37.36 2csf s ASN 17 CO 0.53 -0.72 0.89 -0.63 -2.79 0.00 0.00 177.10 174.37 2csf s ILE 18 N 1.60 4.86 0.16 -5.21 -1.09 -1.26 -5.06 121.20 115.20 2csf s ILE 18 Ca 0.04 1.87 0.07 0.00 -2.23 0.00 0.00 60.65 60.40 2csf s ILE 18 Cb -0.27 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 2csf s ILE 18 CO 0.05 0.22 -0.15 0.42 -1.23 0.00 0.00 174.94 174.24 2csf s THR 19 N 0.75 1.56 0.49 2.92 -4.23 -1.26 -4.77 115.64 111.10 2csf s THR 19 Ca 0.47 -1.92 0.30 0.00 -1.18 0.00 0.00 61.69 59.35 2csf s THR 19 Cb -0.20 -1.77 0.49 0.00 1.34 0.00 0.00 72.50 72.35 2csf s THR 19 CO 0.25 -0.46 1.80 0.00 -0.54 0.00 0.00 174.62 175.68 2csf h ALA 20 N 3.15 2.78 -0.89 3.99 0.00 -1.91 0.28 119.26 126.65 2csf h ALA 20 Ca -0.40 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.74 2csf h ALA 20 Cb 1.20 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2csf h ALA 20 CO 0.55 -1.13 0.62 0.00 0.00 0.00 0.00 179.25 179.28 2csf h ALA 21 N 1.50 2.53 -1.36 0.00 0.00 -1.99 -0.88 119.26 119.06 2csf h ALA 21 Ca 0.56 -0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.90 2csf h ALA 21 Cb 1.94 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.64 2csf h ALA 21 CO -0.11 -0.80 0.89 0.97 0.00 0.00 0.00 179.25 180.19 2csf h ILE 22 N 0.19 0.14 -0.18 0.00 2.10 -0.84 0.64 117.51 119.56 2csf h ILE 22 Ca 0.45 -0.03 -0.03 0.00 1.08 0.00 0.00 64.86 66.33 2csf h ILE 22 Cb 1.45 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2csf h ILE 22 CO -0.10 0.02 -0.00 1.88 -1.08 0.00 0.00 178.15 178.87 2csf h TYR 23 N 0.09 0.34 -0.25 2.19 0.05 -1.36 -2.76 116.97 115.26 2csf h TYR 23 Ca 0.81 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.53 2csf h TYR 23 Cb 2.62 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 40.26 2csf h TYR 23 CO -0.00 0.52 0.14 -0.44 -1.05 0.00 0.00 178.16 177.33 2csf h ASP 24 N 0.06 0.30 -0.86 3.88 3.32 0.09 -2.32 116.42 120.89 2csf h ASP 24 Ca 0.05 -0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.20 2csf h ASP 24 Cb 0.39 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 2csf h ASP 24 CO 0.01 0.27 0.56 -0.33 -1.72 0.00 0.00 179.24 178.04 2csf h GLU 25 N 0.30 0.51 -0.43 3.56 5.08 -1.24 -0.16 114.58 122.19 2csf h GLU 25 Ca 0.09 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2csf h GLU 25 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2csf h GLU 25 CO -0.02 0.34 -0.22 0.82 -1.00 0.00 0.00 179.01 178.93 2csf h ILE 26 N 0.52 1.27 0.23 3.13 2.04 -1.13 0.12 117.51 123.71 2csf h ILE 26 Ca 0.44 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2csf h ILE 26 Cb 0.91 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2csf h ILE 26 CO -0.18 0.47 -0.11 1.56 0.00 0.00 0.00 178.15 179.89 2csf h GLN 27 N 0.74 -0.30 -0.04 2.37 4.20 -0.67 -2.47 115.11 118.94 2csf h GLN 27 Ca 0.09 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2csf h GLN 27 Cb 0.79 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 2csf h GLN 27 CO 0.07 -0.10 0.00 1.96 -0.67 0.00 0.00 178.83 180.08 2csf h GLN 28 N -0.45 0.07 -1.14 1.46 4.20 -1.34 -2.89 115.11 115.01 2csf h GLN 28 Ca -0.03 -0.02 0.32 0.00 0.06 0.00 0.00 58.65 58.98 2csf h GLN 28 Cb 0.34 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 2csf h GLN 28 CO 0.05 0.36 0.76 1.49 -0.67 0.00 0.00 178.83 180.82 2csf h GLU 29 N -0.23 0.23 0.53 1.46 4.57 -0.76 0.51 114.58 120.89 2csf h GLU 29 Ca 0.01 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2csf h GLU 29 Cb 0.33 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2csf h GLU 29 CO 0.00 0.15 -0.25 0.52 -1.18 0.00 0.00 179.01 178.25 2csf h MET 30 N 0.24 -0.68 -0.10 1.92 2.86 -1.23 0.13 114.93 118.07 2csf h MET 30 Ca 0.64 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.36 2csf h MET 30 Cb 1.92 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.73 2csf h MET 30 CO -0.26 -0.38 0.10 1.57 1.06 0.00 0.00 176.91 179.01 2csf h LYS 31 N -1.01 0.00 0.19 1.72 5.09 -1.07 1.31 116.57 122.81 2csf h LYS 31 Ca -0.07 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.36 2csf h LYS 31 Cb 0.62 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.97 2csf h LYS 31 CO 0.12 0.00 -1.41 -0.09 -2.09 0.00 0.00 179.45 175.98 2csf h ARG 32 N 0.00 0.41 0.00 0.07 2.43 -0.81 -3.29 114.38 113.18 2csf h ARG 32 Ca 0.05 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2csf h ARG 32 Cb 0.25 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2csf h ARG 32 CO -0.00 1.33 -0.55 0.00 -1.51 0.00 0.00 179.97 179.23 2csf n ALA 33 N -2.65 3.51 -3.11 2.80 0.00 0.45 -4.97 120.51 116.55 2csf n ALA 33 Ca -0.14 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 2csf n ALA 33 Cb 1.07 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.59 -5.09 -4.66 0.00 4.76 0.44 -5.00 118.16 107.03 2csf n LYS 34 Ca 0.05 0.62 -0.30 0.00 -2.87 0.00 0.00 58.31 55.81 2csf n LYS 34 Cb 0.35 -4.96 -0.09 0.00 -1.84 0.00 0.00 35.03 28.50 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 -3.25 1.18 0.15 -0.18 -7.23 -0.84 -5.03 120.40 105.19 2csf s VAL 35 Ca 0.11 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2csf s VAL 35 Cb -0.05 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2csf s VAL 35 CO 0.53 0.00 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.74 2csf s SER 36 N -3.76 4.67 0.49 4.85 0.15 -1.26 -4.65 113.70 114.20 2csf s SER 36 Ca 0.17 -0.39 0.34 0.00 0.70 0.00 0.00 55.95 56.77 2csf s SER 36 Cb 0.04 -0.97 1.46 0.00 -1.71 0.00 0.00 66.02 64.84 2csf s SER 36 CO 0.09 0.12 1.70 1.56 1.20 0.00 0.00 173.24 177.91 2csf h GLN 37 N 2.99 0.10 -0.35 5.44 4.20 -1.97 0.70 115.11 126.22 2csf h GLN 37 Ca -0.47 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.12 2csf h GLN 37 Cb 1.19 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2csf h GLN 37 CO 0.57 0.07 -0.22 0.00 -0.67 0.00 0.00 178.83 178.57 2csf h ALA 38 N 1.43 0.50 0.36 3.87 0.00 -1.92 -2.50 119.26 120.99 2csf h ALA 38 Ca 0.72 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2csf h ALA 38 Cb 2.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2csf h ALA 38 CO -0.19 0.47 -0.17 1.25 0.00 0.00 0.00 179.25 180.60 2csf h LEU 39 N 0.55 -0.41 -1.28 0.00 5.85 -0.02 -0.24 115.31 119.76 2csf h LEU 39 Ca 0.07 0.01 0.36 0.00 0.84 0.00 0.00 57.88 59.16 2csf h LEU 39 Cb 0.77 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.79 2csf h LEU 39 CO 0.06 -0.13 0.72 0.15 -0.34 0.00 0.00 178.44 178.90 2csf h PHE 40 N -0.82 0.67 0.00 1.25 3.04 -1.33 1.65 116.94 121.41 2csf h PHE 40 Ca -0.05 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.83 2csf h PHE 40 Cb 0.37 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2csf h PHE 40 CO 0.04 -0.13 -0.49 0.00 -2.02 0.00 0.00 178.31 175.71 2csf h ALA 41 N 1.68 0.70 0.00 2.41 0.00 -1.46 0.68 119.26 123.27 2csf h ALA 41 Ca 0.73 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2csf h ALA 41 Cb 2.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 2csf h ALA 41 CO -0.44 0.58 -0.94 -0.22 0.00 0.00 0.00 179.25 178.23 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.40 1.83 116.57 121.91 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 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 2csf h LYS 42 CO 0.06 0.46 -1.27 1.33 -2.81 0.00 0.00 179.45 177.22 2csf n VAL 43 N -3.09 0.00 -0.09 2.00 0.24 0.20 -3.24 118.33 114.34 2csf n VAL 43 Ca -0.03 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2csf n VAL 43 Cb 0.80 0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 33.78 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 -1.72 1.04 0.48 2.33 0.00 0.23 -4.74 120.51 118.13 2csf n ALA 44 Ca 0.01 -0.82 0.05 0.00 0.00 0.00 0.00 53.44 52.68 2csf n ALA 44 Cb 0.38 0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.90 2csf n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2csf n ALA 45 N -4.37 2.79 -2.09 0.00 0.00 -0.73 -4.27 120.51 111.85 2csf n ALA 45 Ca -0.19 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 2csf n ALA 45 Cb 0.55 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.05 -5.71 -3.49 0.00 2.85 0.58 -4.92 115.26 104.52 2csf n ASN 46 Ca 0.05 0.18 -0.10 0.00 -0.11 0.00 0.00 54.58 54.60 2csf n ASN 46 Cb 0.24 -4.83 0.04 0.00 1.24 0.00 0.00 39.78 36.47 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 -2.76 0.74 -3.83 1.20 4.76 0.14 -4.82 118.16 113.59 2csf n LYS 47 Ca -0.23 -1.59 -0.34 0.00 -2.87 0.00 0.00 58.31 53.29 2csf n LYS 47 Cb 0.68 -0.15 -0.05 0.00 -1.84 0.00 0.00 35.03 33.68 2csf n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2csf s SER 48 N -2.88 6.43 0.17 4.39 0.01 -1.26 -3.62 113.70 116.94 2csf s SER 48 Ca 0.32 0.45 -0.15 0.00 1.31 0.00 0.00 55.95 57.87 2csf s SER 48 Cb -0.02 -2.04 0.16 0.00 0.21 0.00 0.00 66.02 64.32 2csf s SER 48 CO 0.20 0.23 1.21 1.67 0.41 0.00 0.00 173.24 176.96 2csf n GLN 49 N 0.90 -0.20 -0.32 12.44 7.27 -1.26 0.15 117.38 136.35 2csf n GLN 49 Ca -0.10 1.20 0.21 0.00 0.07 0.00 0.00 57.00 58.38 2csf n GLN 49 Cb 0.52 -1.77 0.42 0.00 2.41 0.00 0.00 30.24 31.82 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 1.81 1.95 1.69 0.00 -1.94 1.28 103.07 107.87 2csf h GLY 50 Ca 0.25 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 2csf h GLY 50 CO -0.77 -0.53 -0.47 -0.25 0.00 0.00 0.00 176.54 174.52 2csf h TRP 51 N 0.18 0.06 0.00 5.60 7.01 0.93 -2.87 115.95 126.86 2csf h TRP 51 Ca 0.69 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.67 2csf h TRP 51 Cb 1.58 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.63 2csf h TRP 51 CO -0.14 0.52 -0.08 1.25 -2.79 0.00 0.00 178.44 177.19 2csf h LEU 52 N 0.04 0.00 -0.93 0.65 7.12 0.17 -3.25 115.31 119.11 2csf h LEU 52 Ca -0.00 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.19 2csf h LEU 52 Cb 0.86 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.81 2csf h LEU 52 CO 0.06 0.52 -0.26 0.00 -0.13 0.00 0.00 178.44 178.64 2csf h GLU 54 N -0.01 -0.35 -0.97 0.00 5.08 -1.67 -0.46 114.58 116.20 2csf h GLU 54 Ca 0.43 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 59.13 2csf h GLU 54 Cb 0.67 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.84 2csf h GLU 54 CO -0.96 -0.24 0.44 -0.07 -1.00 0.00 0.00 179.01 177.18 2csf h LEU 55 N -0.37 0.27 -0.28 1.33 4.07 -0.74 1.76 115.31 121.35 2csf h LEU 55 Ca 0.09 0.22 -0.07 0.00 0.08 0.00 0.00 57.88 58.19 2csf h LEU 55 Cb 0.50 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2csf h LEU 55 CO -0.30 -0.22 -0.32 -0.07 -1.08 0.00 0.00 178.44 176.45 2csf h LEU 56 N 0.20 0.00 0.05 1.67 3.38 -0.93 0.19 115.31 119.87 2csf h LEU 56 Ca 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.67 2csf h LEU 56 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2csf h LEU 56 CO -0.68 0.32 -0.03 -0.09 0.09 0.00 0.00 178.44 178.06 2csf h ARG 57 N 0.00 -0.07 0.07 1.13 2.43 0.40 -3.38 114.38 114.96 2csf h ARG 57 Ca -0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2csf h ARG 57 Cb 1.14 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2csf h ARG 57 CO 0.04 0.14 -1.16 -1.49 -1.51 0.00 0.00 179.97 176.00 2csf h TRP 58 N -1.01 0.99 -6.34 2.20 4.06 -0.42 -3.48 115.95 111.96 2csf h TRP 58 Ca -0.01 -0.59 -0.48 0.00 2.06 0.00 0.00 58.89 59.87 2csf h TRP 58 Cb 0.24 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.26 2csf h TRP 58 CO 0.05 1.43 -0.78 1.63 -3.56 0.00 0.00 178.44 177.21 2csf n LYS 59 N -3.80 -5.17 -1.56 0.49 5.02 0.65 -4.87 118.16 108.93 2csf n LYS 59 Ca -0.12 0.57 -0.40 0.00 -2.02 0.00 0.00 58.31 56.34 2csf n LYS 59 Cb 0.94 -5.39 0.02 0.00 -0.02 0.00 0.00 35.03 30.58 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 -4.61 0.99 -2.02 1.97 0.00 -1.26 -4.84 120.64 110.86 2csf n GLU 60 Ca 0.00 0.36 -0.43 0.00 0.00 0.00 0.00 57.16 57.10 2csf n GLU 60 Cb 0.54 -1.90 -0.03 0.00 0.00 0.00 0.00 31.44 30.06 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 -0.93 6.46 0.38 4.31 2.47 -1.26 -4.92 114.94 121.46 2csf s ASN 61 Ca 0.66 1.95 -0.26 0.00 0.42 0.00 0.00 52.86 55.63 2csf s ASN 61 Cb -0.53 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 36.65 2csf s ASN 61 CO 0.55 -1.14 1.20 -2.16 -3.72 0.00 0.00 177.10 171.83 2csf s PRO 62 N 4.47 4.12 0.08 0.43 0.04 -1.26 -5.04 135.00 137.85 2csf s PRO 62 Ca 0.74 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 63.45 2csf s PRO 62 Cb -0.30 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.54 2csf s PRO 62 CO 0.30 -0.29 0.62 -1.12 0.04 0.00 0.00 177.00 176.55 2csf s SER 63 N -0.99 -0.59 0.00 6.66 0.01 -1.26 -4.87 113.70 112.66 2csf s SER 63 Ca 0.55 0.25 0.15 0.00 1.31 0.00 0.00 55.95 58.21 2csf s SER 63 Cb -0.33 0.57 0.91 0.00 0.21 0.00 0.00 66.02 67.39 2csf s SER 63 CO 0.42 -0.84 1.33 -0.81 0.41 0.00 0.00 173.24 173.75 2csf n PRO 64 N 0.09 0.49 0.03 12.44 -0.04 -1.26 -2.64 135.00 144.11 2csf n PRO 64 Ca -0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.07 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 0.30 -6.56 0.54 5.08 -1.99 -3.44 114.58 108.50 2csf h GLU 65 Ca 0.00 -0.51 -0.57 0.00 -1.00 0.00 0.00 59.36 57.28 2csf h GLU 65 Cb 0.00 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 2csf h GLU 65 CO 0.00 1.21 0.85 1.21 -1.00 0.00 0.00 179.01 181.28 2csf s ASN 66 N -7.08 6.62 -0.01 1.42 3.84 -1.08 -4.94 114.94 113.71 2csf s ASN 66 Ca -0.18 0.43 -0.04 0.00 0.21 0.00 0.00 52.86 53.28 2csf s ASN 66 Cb 0.06 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.21 2csf s ASN 66 CO 0.81 -1.18 0.51 0.03 -2.79 0.00 0.00 177.10 174.47 2csf h ARG 67 N 9.12 -0.13 -1.48 0.43 2.47 -1.86 0.80 114.38 123.73 2csf h ARG 67 Ca -0.23 0.01 0.43 0.00 -1.26 0.00 0.00 59.98 58.93 2csf h ARG 67 Cb 1.06 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.34 2csf h ARG 67 CO 1.10 -0.09 1.05 1.15 0.56 0.00 0.00 179.97 183.74 2csf h THR 68 N -0.26 0.24 0.00 2.04 2.02 -1.99 0.51 112.91 115.46 2csf h THR 68 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2csf h THR 68 Cb 0.11 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2csf h THR 68 CO 0.02 0.01 -0.11 0.25 0.37 0.00 0.00 175.52 176.05 2csf h LEU 69 N 0.03 0.00 -0.75 2.58 5.85 -1.95 -3.32 115.31 117.76 2csf h LEU 69 Ca 0.73 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.61 2csf h LEU 69 Cb 2.81 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 43.70 2csf h LEU 69 CO -0.07 0.19 -0.15 -0.25 -0.34 0.00 0.00 178.44 177.82 2csf h TRP 70 N -0.26 -0.33 -0.03 1.25 2.91 0.10 0.12 115.95 119.72 2csf h TRP 70 Ca 0.00 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.11 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 2csf h TRP 70 CO -0.05 -0.31 -0.08 0.93 -1.03 0.00 0.00 178.44 177.90 2csf h GLU 71 N 0.02 -0.08 -0.04 2.65 5.08 -0.11 0.41 114.58 122.51 2csf h GLU 71 Ca 0.37 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 2csf h GLU 71 Cb 0.59 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2csf h GLU 71 CO -0.75 -0.06 -0.33 -0.91 -1.00 0.00 0.00 179.01 175.97 2csf h ASN 72 N -0.09 -0.98 0.00 1.42 2.35 -1.52 0.17 115.58 116.93 2csf h ASN 72 Ca 0.01 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2csf h ASN 72 Cb 0.10 0.40 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2csf h ASN 72 CO -0.07 -0.38 0.29 -0.07 -1.65 0.00 0.00 177.43 175.55 2csf h LEU 73 N -0.46 0.00 0.07 1.61 3.38 -0.54 -1.04 115.31 118.34 2csf h LEU 73 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2csf h LEU 73 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2csf h LEU 73 CO -0.29 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.20 2csf h THR 75 N -0.73 1.17 -0.41 0.00 1.03 -0.99 -2.45 112.91 110.54 2csf h THR 75 Ca -0.01 -0.49 0.02 0.00 -0.01 0.00 0.00 66.41 65.92 2csf h THR 75 Cb 0.58 0.72 -0.02 0.00 -1.07 0.00 0.00 68.15 68.36 2csf h THR 75 CO 0.02 0.19 0.27 0.40 -0.01 0.00 0.00 175.52 176.39 2csf h ILE 76 N 0.54 1.05 -0.66 0.00 2.04 -1.53 -1.84 117.51 117.11 2csf h ILE 76 Ca 0.15 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2csf h ILE 76 Cb 0.11 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2csf h ILE 76 CO -0.02 0.09 0.20 -0.09 0.00 0.00 0.00 178.15 178.32 2csf h ARG 77 N 0.47 1.04 -0.22 2.37 9.65 -1.04 -2.65 114.38 124.00 2csf h ARG 77 Ca 0.16 -0.23 -0.09 0.00 -1.10 0.00 0.00 59.98 58.72 2csf h ARG 77 Cb 0.07 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2csf h ARG 77 CO -0.04 0.91 -0.25 0.00 2.80 0.00 0.00 179.97 183.39 2csf h ARG 78 N 0.97 0.41 -0.13 0.20 3.08 -1.14 -2.91 114.38 114.86 2csf h ARG 78 Ca 0.21 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2csf h ARG 78 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2csf h ARG 78 CO -0.00 0.63 0.08 0.35 -1.07 0.00 0.00 179.97 179.95 2csf h PHE 79 N 0.37 0.14 -0.18 3.04 3.04 -1.09 -2.22 116.94 120.03 2csf h PHE 79 Ca 0.06 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 2csf h PHE 79 Cb 0.64 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2csf h PHE 79 CO 0.02 0.09 0.03 -0.07 -2.02 0.00 0.00 178.31 176.35 2csf h LEU 80 N 0.16 0.23 -0.47 0.59 3.38 -1.41 -0.87 115.31 116.92 2csf h LEU 80 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2csf h LEU 80 Cb -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2csf h LEU 80 CO -0.03 0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.35 2csf n ASN 81 N -4.41 0.22 -4.82 -0.43 3.02 -0.84 -4.68 115.26 103.31 2csf n ASN 81 Ca -0.00 0.59 -0.33 0.00 -0.03 0.00 0.00 54.58 54.81 2csf n ASN 81 Cb 0.15 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 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 -3.56 3.70 0.53 3.41 1.43 -0.33 -5.03 118.68 118.83 2csf s LEU 82 Ca 0.01 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.61 2csf s LEU 82 Cb 0.04 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.67 2csf s LEU 82 CO 0.13 -0.69 1.13 -2.16 0.23 0.00 0.00 176.35 175.00 2csf s PRO 83 N -3.75 3.43 0.28 1.29 0.04 -1.26 -4.73 135.00 130.29 2csf s PRO 83 Ca 0.62 1.64 0.01 0.00 0.04 0.00 0.00 61.00 63.31 2csf s PRO 83 Cb -0.12 -2.07 0.66 0.00 0.04 0.00 0.00 34.50 33.01 2csf s PRO 83 CO 0.27 -0.80 1.69 0.37 0.04 0.00 0.00 177.00 178.57 2csf h GLN 84 N 1.34 0.35 -0.00 4.56 4.15 -1.96 0.80 115.11 124.35 2csf h GLN 84 Ca -0.50 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2csf h GLN 84 Cb 1.26 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2csf h GLN 84 CO 0.57 0.23 0.00 1.12 -1.93 0.00 0.00 178.83 178.83 2csf h HIS 85 N 0.36 0.00 0.00 3.99 2.07 -2.00 -2.05 115.15 117.52 2csf h HIS 85 Ca 0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 2csf h HIS 85 Cb 0.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.95 2csf h HIS 85 CO -0.18 0.00 -0.03 0.93 -3.07 0.00 0.00 177.93 175.58 2csf h GLU 86 N 0.00 0.00 -0.99 5.12 4.39 0.22 -3.21 114.58 120.11 2csf h GLU 86 Ca 0.00 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.04 2csf h GLU 86 Cb 0.00 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.47 2csf h GLU 86 CO -0.00 0.00 0.30 0.00 -1.16 0.00 0.00 179.01 178.15 2csf h ARG 87 N -0.28 0.04 -0.74 2.33 3.08 -1.26 1.05 114.38 118.60 2csf h ARG 87 Ca 0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2csf h ARG 87 Cb 0.03 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2csf h ARG 87 CO 0.00 0.02 0.48 0.22 -1.07 0.00 0.00 179.97 179.63 2csf h ASP 88 N 0.04 0.83 -0.34 7.04 1.82 -1.53 -2.25 116.42 122.03 2csf h ASP 88 Ca 0.72 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 57.33 2csf h ASP 88 Cb 1.70 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.49 2csf h ASP 88 CO -0.82 0.59 0.17 0.58 -1.61 0.00 0.00 179.24 178.15 2csf h VAL 89 N 0.98 1.16 -0.30 2.25 2.07 0.11 -0.55 116.25 121.98 2csf h VAL 89 Ca 0.28 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2csf h VAL 89 Cb -0.09 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2csf h VAL 89 CO -0.07 0.17 0.00 0.40 0.02 0.00 0.00 177.57 178.09 2csf h ILE 90 N 0.42 0.79 -0.50 4.57 2.04 -1.00 0.13 117.51 123.95 2csf h ILE 90 Ca 0.12 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 2csf h ILE 90 Cb 0.11 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2csf h ILE 90 CO -0.02 0.02 0.14 1.88 0.00 0.00 0.00 178.15 180.17 2csf h TYR 91 N 0.09 0.83 0.98 1.37 0.05 -1.27 -1.18 116.97 117.84 2csf h TYR 91 Ca 0.14 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2csf h TYR 91 Cb 0.19 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 37.70 2csf h TYR 91 CO -0.22 0.73 -0.47 0.93 -1.05 0.00 0.00 178.16 178.07 2csf h GLU 92 N 0.69 -1.27 -0.96 4.88 5.08 -0.57 0.22 114.58 122.65 2csf h GLU 92 Ca 0.16 0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.73 2csf h GLU 92 Cb 0.30 0.29 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2csf h GLU 92 CO -0.00 -0.85 0.58 0.93 -1.00 0.00 0.00 179.01 178.67 2csf h GLU 93 N -1.32 0.87 0.00 2.33 4.39 -0.77 -3.11 114.58 116.96 2csf h GLU 93 Ca -0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2csf h GLU 93 Cb 1.01 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2csf h GLU 93 CO 0.22 0.58 0.00 -1.91 -1.16 0.00 0.00 179.01 176.74 2csf n GLU 94 N -4.68 0.00 -4.07 2.33 4.07 -0.45 -4.72 120.64 113.12 2csf n GLU 94 Ca 0.18 0.47 -0.32 0.00 -0.06 0.00 0.00 57.16 57.43 2csf n GLU 94 Cb 0.38 -1.30 -0.15 0.00 -0.06 0.00 0.00 31.44 30.30 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 -2.29 4.18 -0.47 4.31 0.15 0.76 -5.08 113.70 115.26 2csf s SER 95 Ca 0.00 -1.25 -0.17 0.00 0.70 0.00 0.00 55.95 55.23 2csf s SER 95 Cb 0.00 -1.52 0.06 0.00 -1.71 0.00 0.00 66.02 62.84 2csf s SER 95 CO 0.00 -0.16 0.47 -0.55 1.20 0.00 0.00 173.24 174.21 2csf s SER 96 N 1.15 6.18 -0.07 5.45 0.15 -1.18 -4.29 113.70 121.08 2csf s SER 96 Ca -0.06 -1.08 -0.05 0.00 0.70 0.00 0.00 55.95 55.46 2csf s SER 96 Cb -0.19 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2csf s SER 96 CO -0.07 -0.71 0.15 -0.83 1.20 0.00 0.00 173.24 172.99 2csf s GLY 97 N 2.47 2.15 -0.54 9.45 0.00 -1.26 -5.04 107.32 114.56 2csf s GLY 97 Ca 0.09 -0.71 -0.27 0.00 0.00 0.00 0.00 44.72 43.83 2csf s GLY 97 CO 0.10 -0.52 1.81 2.56 0.00 0.00 0.00 173.10 177.05 2csf s PRO 98 N -1.44 2.85 -0.06 2.90 0.04 -1.26 -4.95 135.00 133.07 2csf s PRO 98 Ca 0.21 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 2csf s PRO 98 Cb -0.12 -4.32 0.03 0.00 0.04 0.00 0.00 34.50 30.13 2csf s PRO 98 CO 0.11 -2.46 0.02 -1.54 0.04 0.00 0.00 177.00 173.17 2csf s SER 99 N 7.35 1.41 0.17 6.66 1.04 -1.26 -5.04 113.70 124.03 2csf s SER 99 Ca 0.69 -0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.87 2csf s SER 99 Cb -0.15 -0.33 0.07 0.00 0.10 0.00 0.00 66.02 65.72 2csf s SER 99 CO 0.24 -0.21 1.58 -1.28 0.98 0.00 0.00 173.24 174.55 2csf h SER 100 N 8.35 -1.27 0.00 7.02 0.87 -2.08 -3.56 113.55 122.88 2csf h SER 100 Ca -0.17 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2csf h SER 100 Cb 1.12 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2csf h SER 100 CO 0.22 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 176.81