#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csf n SER 2 N 0.00 3.23 -4.12 1.61 3.41 -1.26 -4.94 113.62 111.55 2csf n SER 2 Ca 0.00 1.09 -0.37 0.00 -0.26 0.00 0.00 58.87 59.33 2csf n SER 2 Cb 0.00 -1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 62.43 2csf n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2csf s SER 3 N 0.86 5.95 0.00 4.04 0.15 -1.26 -4.69 113.70 118.74 2csf s SER 3 Ca 0.76 -3.55 0.00 0.00 0.70 0.00 0.00 55.95 53.86 2csf s SER 3 Cb -0.64 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2csf s SER 3 CO 0.39 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2csf n GLY 4 N 2.57 -1.04 3.55 9.45 0.00 -1.26 -5.18 105.19 113.29 2csf n GLY 4 Ca 0.19 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.26 -0.01 1.61 0.15 -1.26 -5.06 113.70 108.88 2csf s SER 5 Ca 0.00 0.04 -0.23 0.00 0.70 0.00 0.00 55.95 56.46 2csf s SER 5 Cb 0.00 0.26 -0.19 0.00 -1.71 0.00 0.00 66.02 64.38 2csf s SER 5 CO 0.00 -0.41 1.20 0.28 1.20 0.00 0.00 173.24 175.51 2csf h SER 6 N 2.05 0.27 -3.64 5.45 0.02 -2.03 -3.49 113.55 112.20 2csf h SER 6 Ca -0.16 -0.61 -0.02 0.00 -0.84 0.00 0.00 61.79 60.17 2csf h SER 6 Cb 1.20 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.68 2csf h SER 6 CO 0.27 0.83 -0.07 0.61 -1.14 0.00 0.00 176.83 177.33 2csf n GLY 7 N 0.56 -0.27 3.58 -3.77 0.00 -1.26 -5.06 105.19 98.98 2csf n GLY 7 Ca -0.08 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.11 -1.44 0.06 1.61 0.04 -1.26 -4.91 135.00 125.99 2csf s PRO 8 Ca 0.04 -0.15 -0.32 0.00 0.04 0.00 0.00 61.00 60.61 2csf s PRO 8 Cb -0.00 -1.58 -0.11 0.00 0.04 0.00 0.00 34.50 32.85 2csf s PRO 8 CO 0.20 -3.84 1.85 -0.89 0.04 0.00 0.00 177.00 174.36 2csf n ILE 9 N -4.84 0.46 -2.01 0.56 -0.00 -1.26 -4.89 119.36 107.38 2csf n ILE 9 Ca 0.14 -0.08 -0.43 0.00 -0.00 0.00 0.00 62.75 62.39 2csf n ILE 9 Cb 0.60 -2.04 -0.03 0.00 -0.00 0.00 0.00 39.64 38.17 2csf n ILE 9 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2csf s LYS 10 N 3.19 3.98 -0.30 0.38 1.02 -1.26 -4.94 119.74 121.81 2csf s LYS 10 Ca 0.86 2.01 -0.16 0.00 0.02 0.00 0.00 55.97 58.69 2csf s LYS 10 Cb -0.55 -4.03 0.17 0.00 -0.52 0.00 0.00 37.83 32.90 2csf s LYS 10 CO 0.42 -1.08 1.06 0.54 -0.92 0.00 0.00 175.35 175.36 2csf s VAL 11 N 4.72 -0.16 -0.09 3.17 0.11 -1.26 -5.09 120.40 121.80 2csf s VAL 11 Ca 0.75 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.76 2csf s VAL 11 Cb -0.31 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 2csf s VAL 11 CO 0.30 0.00 -0.08 -0.78 -3.33 0.00 0.00 175.10 171.21 2csf h ASP 12 N 6.44 0.00 -2.94 3.54 3.58 -1.98 -3.51 116.42 121.55 2csf h ASP 12 Ca -0.23 0.00 0.33 0.00 0.42 0.00 0.00 57.03 57.55 2csf h ASP 12 Cb 1.16 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.10 2csf h ASP 12 CO 0.15 0.49 -0.64 0.61 -2.88 0.00 0.00 179.24 176.97 2csf n GLY 13 N 1.72 -1.98 2.35 -0.78 0.00 -1.26 -4.48 105.19 100.76 2csf n GLY 13 Ca -0.03 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.67 5.59 -3.63 4.61 0.00 -1.26 -4.95 120.51 118.20 2csf n ALA 14 Ca -0.02 -3.91 -0.04 0.00 0.00 0.00 0.00 53.44 49.47 2csf n ALA 14 Cb 0.65 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.76 -0.76 0.36 0.00 2.20 -1.26 -5.16 114.94 107.56 2csf s ASN 15 Ca 0.54 1.19 -0.26 0.00 -0.94 0.00 0.00 52.86 53.39 2csf s ASN 15 Cb 0.44 1.37 -0.09 0.00 -2.00 0.00 0.00 41.25 40.96 2csf s ASN 15 CO -0.10 -0.19 1.11 -0.63 -2.94 0.00 0.00 177.10 174.34 2csf s ILE 16 N 1.61 3.46 -0.35 0.54 1.01 -1.26 -5.03 121.20 121.17 2csf s ILE 16 Ca -0.09 1.25 0.01 0.00 0.00 0.00 0.00 60.65 61.82 2csf s ILE 16 Cb -0.05 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.80 2csf s ILE 16 CO -0.18 0.14 0.09 0.20 0.00 0.00 0.00 174.94 175.19 2csf s ASN 17 N -1.21 4.93 0.19 3.58 -0.87 -1.26 -5.10 114.94 115.21 2csf s ASN 17 Ca 0.53 -1.96 -0.29 0.00 -1.57 0.00 0.00 52.86 49.57 2csf s ASN 17 Cb -0.28 -1.70 -0.08 0.00 -0.02 0.00 0.00 41.25 39.17 2csf s ASN 17 CO 0.35 -0.41 0.92 -0.63 -2.57 0.00 0.00 177.10 174.76 2csf s ILE 18 N 1.04 4.23 0.06 0.60 -1.09 -1.26 -5.06 121.20 119.72 2csf s ILE 18 Ca 0.07 2.01 0.01 0.00 -2.23 0.00 0.00 60.65 60.51 2csf s ILE 18 Cb -0.20 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.35 2csf s ILE 18 CO -0.06 0.46 -0.05 0.42 -1.23 0.00 0.00 174.94 174.48 2csf s THR 19 N -0.87 0.45 0.47 2.92 -4.23 -1.26 -4.80 115.64 108.32 2csf s THR 19 Ca 0.41 -1.53 0.29 0.00 -1.18 0.00 0.00 61.69 59.68 2csf s THR 19 Cb -0.25 -1.16 0.49 0.00 1.34 0.00 0.00 72.50 72.93 2csf s THR 19 CO 0.30 -0.72 1.73 0.00 -0.54 0.00 0.00 174.62 175.39 2csf h ALA 20 N 3.65 2.76 -1.00 3.99 0.00 -1.91 0.34 119.26 127.10 2csf h ALA 20 Ca -0.35 0.03 0.24 0.00 0.00 0.00 0.00 54.91 54.83 2csf h ALA 20 Cb 1.18 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 2csf h ALA 20 CO 0.55 -1.21 0.64 0.00 0.00 0.00 0.00 179.25 179.23 2csf h ALA 21 N 1.50 2.13 -1.09 0.00 0.00 -1.99 -0.88 119.26 118.93 2csf h ALA 21 Ca 0.66 0.05 0.43 0.00 0.00 0.00 0.00 54.91 56.05 2csf h ALA 21 Cb 2.17 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 19.79 2csf h ALA 21 CO -0.21 -0.49 0.63 1.51 0.00 0.00 0.00 179.25 180.69 2csf n ILE 22 N -4.62 -0.36 0.02 0.00 3.06 0.12 0.90 119.36 118.48 2csf n ILE 22 Ca 0.23 1.91 -0.12 0.00 -2.50 0.00 0.00 62.75 62.27 2csf n ILE 22 Cb 0.77 -3.12 -0.07 0.00 0.54 0.00 0.00 39.64 37.76 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 0.03 -0.15 9.51 0.05 -1.36 -2.44 116.97 122.61 2csf h TYR 23 Ca 0.84 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.65 2csf h TYR 23 Cb 2.37 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 40.07 2csf h TYR 23 CO -0.01 0.16 -0.04 -0.44 -1.05 0.00 0.00 178.16 176.78 2csf h ASP 24 N -0.11 -0.16 -0.88 3.88 3.32 0.37 -1.60 116.42 121.24 2csf h ASP 24 Ca 0.01 0.05 0.16 0.00 0.02 0.00 0.00 57.03 57.27 2csf h ASP 24 Cb 0.15 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 2csf h ASP 24 CO -0.00 -0.06 0.57 -0.33 -1.72 0.00 0.00 179.24 177.70 2csf h GLU 25 N -0.01 0.56 -0.46 3.56 5.08 -1.26 -0.23 114.58 121.82 2csf h GLU 25 Ca 0.07 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2csf h GLU 25 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2csf h GLU 25 CO -0.16 0.37 -0.17 0.82 -1.00 0.00 0.00 179.01 178.87 2csf h ILE 26 N 0.58 1.27 -0.12 3.13 2.04 -0.82 0.11 117.51 123.70 2csf h ILE 26 Ca 0.45 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2csf h ILE 26 Cb 0.88 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2csf h ILE 26 CO -0.20 0.45 0.07 1.56 0.00 0.00 0.00 178.15 180.03 2csf h GLN 27 N 0.77 0.17 0.00 2.37 4.20 -0.36 -2.72 115.11 119.54 2csf h GLN 27 Ca 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2csf h GLN 27 Cb 0.73 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2csf h GLN 27 CO 0.06 0.18 -0.00 1.96 -0.67 0.00 0.00 178.83 180.35 2csf h GLN 28 N 0.12 -0.00 -1.12 1.46 4.20 -1.34 -3.13 115.11 115.30 2csf h GLN 28 Ca 0.04 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.14 2csf h GLN 28 Cb 0.05 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.69 2csf h GLN 28 CO -0.01 0.48 0.67 1.49 -0.67 0.00 0.00 178.83 180.79 2csf h GLU 29 N -0.48 0.16 0.20 1.46 4.57 -0.75 0.45 114.58 120.20 2csf h GLU 29 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2csf h GLU 29 Cb 0.48 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2csf h GLU 29 CO 0.00 0.11 -0.10 0.52 -1.18 0.00 0.00 179.01 178.36 2csf h MET 30 N 0.17 -0.26 0.00 1.92 2.86 -1.42 0.53 114.93 118.72 2csf h MET 30 Ca 0.78 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.40 2csf h MET 30 Cb 2.13 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.84 2csf h MET 30 CO -0.55 -0.05 -0.22 1.57 1.06 0.00 0.00 176.91 178.72 2csf h LYS 31 N -0.43 0.00 0.17 1.72 5.09 -0.49 0.83 116.57 123.46 2csf h LYS 31 Ca -0.03 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.41 2csf h LYS 31 Cb 0.33 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.67 2csf h LYS 31 CO 0.05 0.22 -1.40 -0.09 -2.09 0.00 0.00 179.45 176.13 2csf h ARG 32 N 0.00 0.35 0.00 0.07 9.65 -0.03 -3.30 114.38 121.13 2csf h ARG 32 Ca -0.00 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2csf h ARG 32 Cb 0.57 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 2csf h ARG 32 CO 0.03 1.27 -0.75 0.00 2.80 0.00 0.00 179.97 183.32 2csf n ALA 33 N -2.63 3.49 -2.78 2.80 0.00 0.18 -4.98 120.51 116.59 2csf n ALA 33 Ca -0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 2csf n ALA 33 Cb 1.06 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.77 -3.23 -4.42 0.00 4.76 0.27 -4.99 118.16 108.78 2csf n LYS 34 Ca 0.04 0.38 -0.21 0.00 -2.87 0.00 0.00 58.31 55.65 2csf n LYS 34 Cb 0.39 -4.02 -0.10 0.00 -1.84 0.00 0.00 35.03 29.45 2csf n LYS 34 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2csf s VAL 35 N -3.16 0.95 0.30 -0.18 -7.23 0.05 -5.02 120.40 106.11 2csf s VAL 35 Ca 0.10 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2csf s VAL 35 Cb -0.04 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2csf s VAL 35 CO 0.33 0.00 0.30 -0.55 -0.31 0.00 0.00 175.10 174.87 2csf s SER 36 N -3.45 5.58 0.47 4.85 0.15 -1.26 -4.48 113.70 115.55 2csf s SER 36 Ca 0.35 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.93 2csf s SER 36 Cb 0.08 -1.23 1.26 0.00 -1.71 0.00 0.00 66.02 64.42 2csf s SER 36 CO 0.15 -0.25 1.86 1.56 1.20 0.00 0.00 173.24 177.76 2csf h GLN 37 N 1.25 0.22 -0.12 5.44 4.20 -1.96 -0.08 115.11 124.06 2csf h GLN 37 Ca -0.47 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 2csf h GLN 37 Cb 1.25 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 2csf h GLN 37 CO 0.58 0.15 -0.03 0.00 -0.67 0.00 0.00 178.83 178.86 2csf h ALA 38 N 1.59 0.17 0.46 3.87 0.00 -1.92 -1.95 119.26 121.47 2csf h ALA 38 Ca 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2csf h ALA 38 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2csf h ALA 38 CO -0.12 -0.10 -0.22 1.25 0.00 0.00 0.00 179.25 180.07 2csf h LEU 39 N -0.08 -0.52 -0.99 0.00 7.12 -1.43 0.28 115.31 119.70 2csf h LEU 39 Ca 0.03 0.02 0.29 0.00 0.13 0.00 0.00 57.88 58.35 2csf h LEU 39 Cb 0.44 0.13 -0.14 0.00 -0.53 0.00 0.00 40.66 40.56 2csf h LEU 39 CO 0.01 -0.32 0.55 0.15 -0.13 0.00 0.00 178.44 178.70 2csf h PHE 40 N -0.71 0.91 0.00 1.25 3.04 -1.37 1.38 116.94 121.43 2csf h PHE 40 Ca -0.06 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2csf h PHE 40 Cb 0.47 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 2csf h PHE 40 CO 0.09 -0.11 -0.15 0.00 -2.02 0.00 0.00 178.31 176.12 2csf h ALA 41 N 1.81 0.92 0.00 2.41 0.00 -1.27 0.17 119.26 123.30 2csf h ALA 41 Ca 0.69 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 2csf h ALA 41 Cb 1.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2csf h ALA 41 CO -0.57 0.19 -0.78 -0.22 0.00 0.00 0.00 179.25 177.87 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.54 1.10 116.57 121.32 2csf h LYS 42 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2csf h LYS 42 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2csf h LYS 42 CO 0.02 0.33 -1.54 1.33 -2.81 0.00 0.00 179.45 176.79 2csf n VAL 43 N -3.05 0.00 -0.07 2.00 0.24 0.90 -3.35 118.33 115.00 2csf n VAL 43 Ca -0.02 -0.32 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2csf n VAL 43 Cb 0.73 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.92 0.59 0.56 2.33 0.00 0.59 -4.69 120.51 117.97 2csf n ALA 44 Ca -0.01 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 52.92 2csf n ALA 44 Cb 0.41 0.02 0.02 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 -3.87 2.80 -2.32 0.00 0.00 -0.90 -4.35 120.51 111.87 2csf n ALA 45 Ca -0.09 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 2csf n ALA 45 Cb 0.35 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 0.14 -5.77 -4.88 0.00 5.15 0.34 -4.94 115.26 105.31 2csf n ASN 46 Ca 0.06 0.05 -0.21 0.00 -0.60 0.00 0.00 54.58 53.88 2csf n ASN 46 Cb 0.29 -4.84 0.05 0.00 -0.53 0.00 0.00 39.78 34.76 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 -2.94 0.63 -3.50 1.20 4.76 0.10 -4.84 118.16 113.57 2csf n LYS 47 Ca -0.24 -3.17 -0.35 0.00 -2.87 0.00 0.00 58.31 51.69 2csf n LYS 47 Cb 0.68 -0.08 -0.05 0.00 -1.84 0.00 0.00 35.03 33.73 2csf n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2csf s SER 48 N -4.46 6.69 0.15 4.39 0.01 -1.26 -3.63 113.70 115.59 2csf s SER 48 Ca 0.53 0.88 -0.17 0.00 1.31 0.00 0.00 55.95 58.51 2csf s SER 48 Cb -0.04 -2.21 0.10 0.00 0.21 0.00 0.00 66.02 64.07 2csf s SER 48 CO 0.33 0.13 1.15 1.67 0.41 0.00 0.00 173.24 176.93 2csf n GLN 49 N 0.76 -0.23 -0.33 12.44 7.27 -1.26 0.14 117.38 136.17 2csf n GLN 49 Ca -0.06 1.13 0.22 0.00 0.07 0.00 0.00 57.00 58.36 2csf n GLN 49 Cb 0.52 -1.68 0.42 0.00 2.41 0.00 0.00 30.24 31.92 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 1.73 1.79 1.69 0.00 -1.93 1.68 103.07 108.03 2csf h GLY 50 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 2csf h GLY 50 CO -0.72 -0.62 -0.25 -0.25 0.00 0.00 0.00 176.54 174.69 2csf h TRP 51 N 0.04 0.27 0.00 5.60 7.01 0.82 -2.74 115.95 126.96 2csf h TRP 51 Ca 0.71 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.65 2csf h TRP 51 Cb 1.67 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 28.66 2csf h TRP 51 CO -0.25 0.49 -0.07 1.25 -2.79 0.00 0.00 178.44 177.07 2csf h LEU 52 N 0.22 0.00 -0.94 0.65 7.12 0.25 -3.26 115.31 119.36 2csf h LEU 52 Ca 0.04 -0.14 0.18 0.00 0.13 0.00 0.00 57.88 58.08 2csf h LEU 52 Cb 0.57 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.53 2csf h LEU 52 CO 0.04 0.61 -0.27 0.00 -0.13 0.00 0.00 178.44 178.69 2csf h GLU 54 N -0.01 -0.35 -0.94 0.00 5.08 -1.64 -0.24 114.58 116.49 2csf h GLU 54 Ca 0.42 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 59.09 2csf h GLU 54 Cb 0.67 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.84 2csf h GLU 54 CO -0.96 -0.23 0.32 -0.07 -1.00 0.00 0.00 179.01 177.07 2csf h LEU 55 N -0.36 0.10 -0.46 1.33 4.07 -0.75 1.63 115.31 120.87 2csf h LEU 55 Ca 0.08 0.21 -0.04 0.00 0.08 0.00 0.00 57.88 58.21 2csf h LEU 55 Cb 0.49 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2csf h LEU 55 CO -0.29 -0.21 -0.21 -0.07 -1.08 0.00 0.00 178.44 176.59 2csf h LEU 56 N 0.19 0.00 0.00 1.67 3.38 -0.91 0.19 115.31 119.83 2csf h LEU 56 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 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 -0.69 0.21 -0.00 -0.09 0.09 0.00 0.00 178.44 177.96 2csf h ARG 57 N 0.00 0.00 -0.03 1.13 2.43 0.38 -3.39 114.38 114.91 2csf h ARG 57 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2csf h ARG 57 Cb 1.00 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.56 2csf h ARG 57 CO 0.03 0.00 -0.93 -1.49 -1.51 0.00 0.00 179.97 176.07 2csf h TRP 58 N -0.96 0.99 -6.22 2.20 4.06 -0.34 -3.48 115.95 112.20 2csf h TRP 58 Ca 0.00 -0.52 -0.46 0.00 2.06 0.00 0.00 58.89 59.97 2csf h TRP 58 Cb 0.00 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2csf h TRP 58 CO -0.00 1.35 -0.74 1.63 -3.56 0.00 0.00 178.44 177.11 2csf n LYS 59 N -3.93 -6.00 -1.51 0.49 5.02 0.66 -4.87 118.16 108.01 2csf n LYS 59 Ca -0.10 0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 2csf n LYS 59 Cb 0.82 -5.56 0.02 0.00 -0.02 0.00 0.00 35.03 30.29 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 -4.75 0.79 -2.00 1.97 0.00 -1.26 -4.82 120.64 110.57 2csf n GLU 60 Ca 0.03 0.29 -0.43 0.00 0.00 0.00 0.00 57.16 57.06 2csf n GLU 60 Cb 0.53 -1.73 -0.03 0.00 0.00 0.00 0.00 31.44 30.22 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 -0.95 6.32 0.36 4.31 2.47 -1.26 -4.91 114.94 121.28 2csf s ASN 61 Ca 0.65 1.83 -0.27 0.00 0.42 0.00 0.00 52.86 55.49 2csf s ASN 61 Cb -0.55 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 36.62 2csf s ASN 61 CO 0.56 -1.27 1.21 -2.16 -3.72 0.00 0.00 177.10 171.72 2csf s PRO 62 N 4.75 4.25 0.11 0.43 0.04 -1.26 -5.03 135.00 138.29 2csf s PRO 62 Ca 0.76 1.97 -0.24 0.00 0.04 0.00 0.00 61.00 63.54 2csf s PRO 62 Cb -0.29 -2.90 0.07 0.00 0.04 0.00 0.00 34.50 31.42 2csf s PRO 62 CO 0.31 -0.19 0.60 -1.12 0.04 0.00 0.00 177.00 176.64 2csf s SER 63 N -0.85 -0.56 0.00 6.66 0.01 -1.26 -4.85 113.70 112.85 2csf s SER 63 Ca 0.52 0.13 0.15 0.00 1.31 0.00 0.00 55.95 58.06 2csf s SER 63 Cb -0.34 0.58 0.90 0.00 0.21 0.00 0.00 66.02 67.36 2csf s SER 63 CO 0.44 -0.88 1.35 -0.81 0.41 0.00 0.00 173.24 173.76 2csf n PRO 64 N -0.08 0.44 0.01 12.44 -0.04 -1.26 -2.78 135.00 143.73 2csf n PRO 64 Ca -0.17 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 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 -6.63 0.54 4.39 -1.99 -3.44 114.58 107.69 2csf h GLU 65 Ca 0.00 -0.43 -0.56 0.00 0.34 0.00 0.00 59.36 58.71 2csf h GLU 65 Cb 0.02 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2csf h GLU 65 CO 0.00 1.21 0.99 1.21 -1.16 0.00 0.00 179.01 181.26 2csf s ASN 66 N -7.06 6.51 -0.01 1.42 3.84 -1.12 -4.93 114.94 113.60 2csf s ASN 66 Ca -0.20 0.63 -0.05 0.00 0.21 0.00 0.00 52.86 53.45 2csf s ASN 66 Cb 0.05 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.18 2csf s ASN 66 CO 0.77 -1.33 0.51 0.03 -2.79 0.00 0.00 177.10 174.28 2csf h ARG 67 N 9.86 -0.16 -1.60 0.43 2.47 -1.86 0.74 114.38 124.27 2csf h ARG 67 Ca -0.25 0.01 0.47 0.00 -1.26 0.00 0.00 59.98 58.95 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 1.11 -0.10 1.13 1.15 0.56 0.00 0.00 179.97 183.82 2csf h THR 68 N -0.31 0.16 0.00 2.04 2.02 -1.99 0.53 112.91 115.36 2csf h THR 68 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2csf h THR 68 Cb 0.12 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2csf h THR 68 CO 0.03 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 176.04 2csf h LEU 69 N 0.03 0.00 -0.76 2.58 5.85 -1.95 -3.33 115.31 117.74 2csf h LEU 69 Ca 0.80 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.67 2csf h LEU 69 Cb 3.06 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 43.94 2csf h LEU 69 CO -0.09 0.20 -0.16 -0.25 -0.34 0.00 0.00 178.44 177.81 2csf h TRP 70 N -0.27 -0.34 -0.04 1.25 2.91 0.97 0.17 115.95 120.60 2csf h TRP 70 Ca 0.00 0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.13 0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 2csf h TRP 70 CO -0.06 -0.31 -0.14 0.93 -1.03 0.00 0.00 178.44 177.83 2csf h GLU 71 N 0.01 -0.14 -0.07 2.65 5.08 -0.09 0.54 114.58 122.57 2csf h GLU 71 Ca 0.37 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.78 2csf h GLU 71 Cb 0.59 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2csf h GLU 71 CO -0.76 -0.09 -0.24 -0.91 -1.00 0.00 0.00 179.01 176.01 2csf h ASN 72 N -0.14 -0.71 -0.04 1.42 2.35 -1.51 0.97 115.58 117.92 2csf h ASN 72 Ca 0.01 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2csf h ASN 72 Cb 0.17 0.31 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 2csf h ASN 72 CO -0.12 -0.29 0.24 -0.07 -1.65 0.00 0.00 177.43 175.53 2csf h LEU 73 N -0.33 0.00 -0.08 1.61 3.38 -0.39 -0.88 115.31 118.61 2csf h LEU 73 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2csf h LEU 73 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2csf h LEU 73 CO -0.26 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.16 2csf h THR 75 N -0.22 1.27 0.00 0.00 1.03 -1.00 -2.91 112.91 111.08 2csf h THR 75 Ca 0.01 -1.49 -0.06 0.00 -0.01 0.00 0.00 66.41 64.86 2csf h THR 75 Cb 0.67 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 2csf h THR 75 CO 0.03 0.50 -0.29 0.40 -0.01 0.00 0.00 175.52 176.15 2csf h ILE 76 N 0.77 1.21 -0.40 0.00 2.04 -1.44 -2.59 117.51 117.11 2csf h ILE 76 Ca 0.08 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.83 2csf h ILE 76 Cb 0.90 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2csf h ILE 76 CO 0.08 0.29 -0.18 -0.09 0.00 0.00 0.00 178.15 178.24 2csf h ARG 77 N 0.00 0.82 -0.14 2.37 9.65 -1.17 -2.93 114.38 122.98 2csf h ARG 77 Ca -0.00 -0.36 -0.08 0.00 -1.10 0.00 0.00 59.98 58.44 2csf h ARG 77 Cb 0.52 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2csf h ARG 77 CO 0.04 0.99 -0.28 0.00 2.80 0.00 0.00 179.97 183.52 2csf h ARG 78 N 0.63 0.27 0.02 0.20 3.08 -1.34 -2.93 114.38 114.32 2csf h ARG 78 Ca 0.09 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2csf h ARG 78 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2csf h ARG 78 CO 0.06 0.53 -0.01 0.35 -1.07 0.00 0.00 179.97 179.82 2csf h PHE 79 N 0.24 -0.03 0.00 3.04 3.04 -1.32 -2.44 116.94 119.47 2csf h PHE 79 Ca 0.04 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2csf h PHE 79 Cb 0.62 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 2csf h PHE 79 CO 0.01 0.07 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.29 2csf h LEU 80 N -0.12 0.00 -1.44 0.59 3.38 -1.43 -0.06 115.31 116.23 2csf h LEU 80 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2csf h LEU 80 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2csf h LEU 80 CO 0.01 0.01 0.00 0.78 0.09 0.00 0.00 178.44 179.32 2csf h ASN 81 N 0.00 0.00 -4.15 -0.43 2.35 -1.25 -3.44 115.58 108.67 2csf h ASN 81 Ca -0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 2csf h ASN 81 Cb 0.02 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.45 2csf h ASN 81 CO 0.00 0.00 0.39 -0.76 -1.65 0.00 0.00 177.43 175.41 2csf s LEU 82 N -5.02 3.60 0.46 1.61 1.43 -0.04 -5.01 118.68 115.71 2csf s LEU 82 Ca -0.00 1.96 -0.23 0.00 -1.03 0.00 0.00 54.13 54.83 2csf s LEU 82 Cb 0.09 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 2csf s LEU 82 CO 0.35 -1.20 1.16 -2.16 0.23 0.00 0.00 176.35 174.73 2csf s PRO 83 N -3.74 3.75 0.29 1.29 0.04 -1.26 -4.73 135.00 130.64 2csf s PRO 83 Ca 0.67 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2csf s PRO 83 Cb -0.19 -2.39 0.74 0.00 0.04 0.00 0.00 34.50 32.70 2csf s PRO 83 CO 0.32 -0.56 1.63 0.37 0.04 0.00 0.00 177.00 178.80 2csf h GLN 84 N 2.02 0.15 -0.25 4.56 5.75 -1.95 1.16 115.11 126.55 2csf h GLN 84 Ca -0.49 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.02 2csf h GLN 84 Cb 1.25 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2csf h GLN 84 CO 0.60 0.10 0.17 1.12 -2.65 0.00 0.00 178.83 178.17 2csf h HIS 85 N 0.16 0.23 0.06 3.99 2.07 -1.99 -1.74 115.15 117.93 2csf h HIS 85 Ca 0.57 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 58.09 2csf h HIS 85 Cb 1.18 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.08 2csf h HIS 85 CO -0.30 0.14 -0.03 0.93 -3.07 0.00 0.00 177.93 175.60 2csf h GLU 86 N 0.24 -0.08 -0.95 5.12 4.39 0.10 -3.08 114.58 120.32 2csf h GLU 86 Ca 0.10 0.01 0.26 0.00 0.34 0.00 0.00 59.36 60.07 2csf h GLU 86 Cb 0.12 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 28.62 2csf h GLU 86 CO -0.02 -0.05 0.09 0.00 -1.16 0.00 0.00 179.01 177.87 2csf h ARG 87 N -0.28 0.05 -0.78 2.33 3.08 -1.30 1.23 114.38 118.71 2csf h ARG 87 Ca -0.01 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.11 2csf h ARG 87 Cb 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2csf h ARG 87 CO 0.01 0.03 0.51 -0.44 -1.07 0.00 0.00 179.97 179.02 2csf h ASP 88 N 0.05 0.73 -0.15 7.04 5.19 -1.44 -1.18 116.42 126.66 2csf h ASP 88 Ca 0.59 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.96 2csf h ASP 88 Cb 1.23 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.58 2csf h ASP 88 CO -0.84 0.46 -0.06 0.58 -3.12 0.00 0.00 179.24 176.26 2csf h VAL 89 N 0.82 1.30 -0.43 -1.35 2.07 0.16 -1.16 116.25 117.67 2csf h VAL 89 Ca 0.34 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2csf h VAL 89 Cb 0.27 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2csf h VAL 89 CO -0.12 0.31 0.25 0.40 0.02 0.00 0.00 177.57 178.43 2csf h ILE 90 N -0.01 1.05 -0.28 4.57 2.04 -0.76 0.16 117.51 124.28 2csf h ILE 90 Ca 0.04 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2csf h ILE 90 Cb 0.51 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2csf h ILE 90 CO 0.02 0.09 0.08 1.88 0.00 0.00 0.00 178.15 180.22 2csf h TYR 91 N 0.51 0.46 0.41 1.37 0.05 -1.23 -0.78 116.97 117.76 2csf h TYR 91 Ca 0.17 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2csf h TYR 91 Cb 0.01 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2csf h TYR 91 CO -0.07 0.50 -0.20 0.93 -1.05 0.00 0.00 178.16 178.27 2csf h GLU 92 N 0.28 -0.53 -0.76 4.88 4.39 -0.94 0.54 114.58 122.43 2csf h GLU 92 Ca 0.09 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2csf h GLU 92 Cb 0.26 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 2csf h GLU 92 CO -0.00 -0.32 0.42 0.93 -1.16 0.00 0.00 179.01 178.88 2csf h GLU 93 N -0.63 0.71 0.13 2.33 4.39 -0.69 -2.50 114.58 118.33 2csf h GLU 93 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2csf h GLU 93 Cb 0.47 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2csf h GLU 93 CO 0.09 0.47 -0.06 1.49 -1.16 0.00 0.00 179.01 179.84 2csf h GLU 94 N 0.73 -0.17 -4.24 2.33 4.57 -0.97 -3.42 114.58 113.41 2csf h GLU 94 Ca 0.36 0.01 -0.65 0.00 -1.18 0.00 0.00 59.36 57.90 2csf h GLU 94 Cb 0.30 0.04 -0.40 0.00 -0.16 0.00 0.00 28.75 28.53 2csf h GLU 94 CO -0.23 -0.11 -0.70 0.45 -1.18 0.00 0.00 179.01 177.24 2csf s SER 95 N -3.18 4.57 0.22 1.04 0.15 0.19 -5.08 113.70 111.59 2csf s SER 95 Ca -0.03 -2.32 -0.30 0.00 0.70 0.00 0.00 55.95 54.00 2csf s SER 95 Cb 0.00 -1.55 -0.08 0.00 -1.71 0.00 0.00 66.02 62.68 2csf s SER 95 CO 0.08 -0.35 1.16 -0.94 1.20 0.00 0.00 173.24 174.39 2csf s SER 96 N 0.68 7.15 0.01 5.45 1.04 -0.94 -4.27 113.70 122.81 2csf s SER 96 Ca 0.12 2.24 0.07 0.00 0.48 0.00 0.00 55.95 58.86 2csf s SER 96 Cb -0.21 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.28 2csf s SER 96 CO -0.07 -0.29 -0.21 -0.83 0.98 0.00 0.00 173.24 172.82 2csf s GLY 97 N -0.21 1.05 0.23 7.32 0.00 -1.26 -5.03 107.32 109.41 2csf s GLY 97 Ca 0.50 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2csf s GLY 97 CO 0.38 -0.83 1.60 -0.56 0.00 0.00 0.00 173.10 173.69 2csf h PRO 98 N 5.33 0.48 -0.73 2.90 0.13 -2.01 -3.29 132.00 134.82 2csf h PRO 98 Ca -0.40 -0.25 0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2csf h PRO 98 Cb 1.15 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 2csf h PRO 98 CO 0.46 0.83 -0.30 0.45 -0.23 0.00 0.00 178.00 179.21 2csf n SER 99 N -4.01 -0.50 -4.66 1.44 2.88 -1.26 -4.18 113.62 103.33 2csf n SER 99 Ca -0.02 1.28 -0.34 0.00 -1.33 0.00 0.00 58.87 58.45 2csf n SER 99 Cb 0.53 -0.28 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 2csf n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2csf s SER 100 N -5.27 5.11 0.00 -3.46 0.15 -1.24 -5.28 113.70 103.71 2csf s SER 100 Ca -0.10 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2csf s SER 100 Cb 0.14 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2csf s SER 100 CO 0.52 0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.93