#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 6.28 -0.19 1.61 0.01 -1.26 -5.03 113.70 115.11 2csf s SER 2 Ca 0.00 -0.63 -0.13 0.00 1.31 0.00 0.00 55.95 56.50 2csf s SER 2 Cb 0.00 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 2csf s SER 2 CO 0.00 -1.02 0.26 -0.94 0.41 0.00 0.00 173.24 171.95 2csf s SER 3 N 2.70 6.33 0.00 2.44 1.04 -1.26 -5.01 113.70 119.94 2csf s SER 3 Ca 0.22 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2csf s SER 3 Cb -0.16 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.80 2csf s SER 3 CO 0.15 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2csf n GLY 4 N 3.74 4.56 3.62 7.32 0.00 -1.26 -5.08 105.19 118.09 2csf n GLY 4 Ca -0.12 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 6.53 -0.29 1.61 0.15 -1.26 -4.87 113.70 115.58 2csf s SER 5 Ca 0.00 1.08 0.18 0.00 0.70 0.00 0.00 55.95 57.91 2csf s SER 5 Cb 0.00 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.26 2csf s SER 5 CO 0.00 -1.22 1.10 -0.24 1.20 0.00 0.00 173.24 174.08 2csf n SER 6 N 8.11 2.43 -4.80 5.45 2.88 -1.26 -5.10 113.62 121.33 2csf n SER 6 Ca 0.16 -2.60 -0.34 0.00 -1.33 0.00 0.00 58.87 54.75 2csf n SER 6 Cb 0.47 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 2csf n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2csf s GLY 7 N -3.63 2.43 -0.20 0.46 0.00 -1.26 -4.97 107.32 100.15 2csf s GLY 7 Ca 0.33 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 45.34 2csf s GLY 7 CO -0.02 0.90 1.60 2.56 0.00 0.00 0.00 173.10 178.13 2csf s PRO 8 N -3.44 3.86 -0.32 2.90 0.04 -1.26 -4.91 135.00 131.87 2csf s PRO 8 Ca 0.67 1.71 -0.33 0.00 0.04 0.00 0.00 61.00 63.09 2csf s PRO 8 Cb -0.17 -4.01 -0.10 0.00 0.04 0.00 0.00 34.50 30.26 2csf s PRO 8 CO 0.25 -1.21 2.20 -0.89 0.04 0.00 0.00 177.00 177.39 2csf n ILE 9 N 6.25 0.23 -1.29 0.56 2.08 -1.26 -4.87 119.36 121.06 2csf n ILE 9 Ca 0.18 -0.32 -0.38 0.00 0.56 0.00 0.00 62.75 62.79 2csf n ILE 9 Cb 0.45 -1.91 0.03 0.00 -0.75 0.00 0.00 39.64 37.46 2csf n ILE 9 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2csf n LYS 10 N 8.37 0.19 -1.75 0.38 4.81 -1.26 -4.81 118.16 124.09 2csf n LYS 10 Ca 0.38 0.08 -0.42 0.00 -0.87 0.00 0.00 58.31 57.48 2csf n LYS 10 Cb 0.29 -1.31 -0.02 0.00 0.02 0.00 0.00 35.03 34.02 2csf n LYS 10 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2csf n VAL 11 N -1.75 1.02 -2.58 3.15 3.14 -1.26 -4.93 118.33 115.12 2csf n VAL 11 Ca 0.09 -0.26 -0.14 0.00 -2.96 0.00 0.00 64.34 61.07 2csf n VAL 11 Cb 0.48 -1.96 0.03 0.00 -1.06 0.00 0.00 33.84 31.32 2csf n VAL 11 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2csf n ASP 12 N 2.17 2.70 0.00 6.55 2.03 -1.26 -5.10 116.55 123.64 2csf n ASP 12 Ca 0.09 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.45 2csf n ASP 12 Cb 0.37 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2csf n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2csf n GLY 13 N -0.35 4.02 2.38 0.27 0.00 -1.26 -2.66 105.19 107.59 2csf n GLY 13 Ca 0.20 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 12.41 4.27 -3.82 4.61 0.00 -1.26 -4.97 120.51 131.75 2csf n ALA 14 Ca 0.00 -3.58 -0.30 0.00 0.00 0.00 0.00 53.44 49.56 2csf n ALA 14 Cb 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.74 2csf n ALA 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2csf s ASN 15 N -3.59 4.14 -0.14 0.00 0.01 -1.09 -5.10 114.94 109.17 2csf s ASN 15 Ca 0.42 -2.17 -0.17 0.00 -0.71 0.00 0.00 52.86 50.24 2csf s ASN 15 Cb 0.39 -1.17 -0.04 0.00 0.41 0.00 0.00 41.25 40.84 2csf s ASN 15 CO -0.03 -0.35 0.42 -0.63 -1.51 0.00 0.00 177.10 175.01 2csf s ILE 16 N 0.92 5.22 -0.51 0.60 1.01 -1.26 -4.93 121.20 122.25 2csf s ILE 16 Ca 0.13 0.82 -0.17 0.00 0.00 0.00 0.00 60.65 61.43 2csf s ILE 16 Cb -0.20 -3.76 0.09 0.00 0.01 0.00 0.00 42.46 38.59 2csf s ILE 16 CO -0.12 0.33 0.49 0.21 0.00 0.00 0.00 174.94 175.86 2csf s ASN 17 N 0.65 6.17 -0.02 3.58 2.47 -1.26 -5.05 114.94 121.48 2csf s ASN 17 Ca 0.23 -1.38 -0.26 0.00 0.42 0.00 0.00 52.86 51.86 2csf s ASN 17 Cb -0.14 -2.22 -0.04 0.00 -1.45 0.00 0.00 41.25 37.40 2csf s ASN 17 CO 0.08 -0.79 0.82 -0.63 -3.72 0.00 0.00 177.10 172.87 2csf s ILE 18 N 1.91 4.91 0.15 -5.21 -1.09 -1.26 -5.06 121.20 115.54 2csf s ILE 18 Ca 0.06 1.72 0.07 0.00 -2.23 0.00 0.00 60.65 60.27 2csf s ILE 18 Cb -0.25 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 2csf s ILE 18 CO 0.07 0.24 -0.15 0.42 -1.23 0.00 0.00 174.94 174.29 2csf s THR 19 N 0.71 1.49 0.43 2.92 -4.23 -1.26 -4.73 115.64 110.97 2csf s THR 19 Ca 0.43 -1.87 0.25 0.00 -1.18 0.00 0.00 61.69 59.33 2csf s THR 19 Cb -0.20 -1.71 0.45 0.00 1.34 0.00 0.00 72.50 72.39 2csf s THR 19 CO 0.23 -0.45 1.72 0.00 -0.54 0.00 0.00 174.62 175.59 2csf h ALA 20 N 3.25 2.56 -1.09 3.99 0.00 -1.91 0.33 119.26 126.39 2csf h ALA 20 Ca -0.40 0.06 0.30 0.00 0.00 0.00 0.00 54.91 54.87 2csf h ALA 20 Cb 1.20 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2csf h ALA 20 CO 0.53 -1.03 0.72 0.00 0.00 0.00 0.00 179.25 179.48 2csf h ALA 21 N 1.57 2.47 -1.09 0.00 0.00 -1.99 -0.23 119.26 119.99 2csf h ALA 21 Ca 0.67 0.04 0.42 0.00 0.00 0.00 0.00 54.91 56.04 2csf h ALA 21 Cb 2.01 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 19.69 2csf h ALA 21 CO -0.29 -0.88 0.63 0.97 0.00 0.00 0.00 179.25 179.68 2csf h ILE 22 N 0.28 0.05 -0.14 0.00 2.10 -0.74 0.69 117.51 119.74 2csf h ILE 22 Ca 0.60 -0.02 -0.00 0.00 1.08 0.00 0.00 64.86 66.52 2csf h ILE 22 Cb 1.76 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2csf h ILE 22 CO -0.24 0.01 0.07 1.88 -1.08 0.00 0.00 178.15 178.79 2csf h TYR 23 N 0.05 0.20 0.04 2.19 0.05 -1.24 -2.52 116.97 115.73 2csf h TYR 23 Ca 0.84 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.62 2csf h TYR 23 Cb 2.31 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 39.98 2csf h TYR 23 CO -0.01 0.23 -0.10 -0.44 -1.05 0.00 0.00 178.16 176.80 2csf h ASP 24 N 0.10 -0.27 -0.98 3.88 5.19 0.21 -2.03 116.42 122.52 2csf h ASP 24 Ca 0.05 0.04 0.21 0.00 -0.62 0.00 0.00 57.03 56.70 2csf h ASP 24 Cb 0.11 0.11 -0.09 0.00 0.18 0.00 0.00 39.33 39.64 2csf h ASP 24 CO -0.01 -0.14 0.62 -0.33 -3.12 0.00 0.00 179.24 176.26 2csf h GLU 25 N -0.18 0.56 -0.44 3.56 5.08 -1.27 0.16 114.58 122.05 2csf h GLU 25 Ca 0.02 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2csf h GLU 25 Cb 0.21 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2csf h GLU 25 CO -0.07 0.37 -0.14 0.82 -1.00 0.00 0.00 179.01 178.99 2csf h ILE 26 N 0.58 1.26 0.01 3.13 2.04 -0.93 0.78 117.51 124.39 2csf h ILE 26 Ca 0.55 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2csf h ILE 26 Cb 1.10 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2csf h ILE 26 CO -0.30 0.42 -0.01 1.56 0.00 0.00 0.00 178.15 179.83 2csf h GLN 27 N 0.73 -0.01 0.03 2.37 4.20 -0.15 -2.82 115.11 119.46 2csf h GLN 27 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2csf h GLN 27 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2csf h GLN 27 CO 0.05 0.15 -0.01 1.96 -0.67 0.00 0.00 178.83 180.30 2csf h GLN 28 N -0.18 -0.04 -0.99 1.46 4.20 -1.33 -3.12 115.11 115.12 2csf h GLN 28 Ca -0.00 0.00 0.35 0.00 0.06 0.00 0.00 58.65 59.06 2csf h GLN 28 Cb 0.17 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 27.79 2csf h GLN 28 CO 0.00 0.36 0.44 1.49 -0.67 0.00 0.00 178.83 180.46 2csf h GLU 29 N -0.45 0.12 0.18 1.46 4.57 -0.86 0.52 114.58 120.11 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 0.42 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2csf h GLU 29 CO 0.01 0.08 -0.09 0.52 -1.18 0.00 0.00 179.01 178.35 2csf h MET 30 N 0.12 -0.23 0.00 1.92 2.86 -1.43 0.49 114.93 118.65 2csf h MET 30 Ca 0.75 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 58.37 2csf h MET 30 Cb 1.81 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.51 2csf h MET 30 CO -0.73 -0.06 -0.17 1.57 1.06 0.00 0.00 176.91 178.58 2csf h LYS 31 N -0.36 0.00 0.16 1.72 5.09 -0.38 0.83 116.57 123.63 2csf h LYS 31 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.41 2csf h LYS 31 Cb 0.28 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.62 2csf h LYS 31 CO 0.04 0.17 -1.44 -0.09 -2.09 0.00 0.00 179.45 176.04 2csf h ARG 32 N 0.00 0.34 0.00 0.07 9.65 0.19 -3.30 114.38 121.33 2csf h ARG 32 Ca -0.00 -0.58 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 2csf h ARG 32 Cb 0.45 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2csf h ARG 32 CO 0.02 1.25 -0.65 0.00 2.80 0.00 0.00 179.97 183.39 2csf n ALA 33 N -2.65 3.50 -2.94 2.80 0.00 0.17 -4.97 120.51 116.42 2csf n ALA 33 Ca -0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 2csf n ALA 33 Cb 1.06 -1.08 0.04 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 -1.69 -3.85 -4.62 0.00 4.76 0.27 -5.00 118.16 108.03 2csf n LYS 34 Ca 0.04 0.43 -0.29 0.00 -2.87 0.00 0.00 58.31 55.63 2csf n LYS 34 Cb 0.37 -4.25 -0.08 0.00 -1.84 0.00 0.00 35.03 29.24 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 -3.17 0.90 0.36 -0.18 -7.23 -0.17 -5.02 120.40 105.89 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 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2csf s VAL 35 CO 0.38 0.00 0.19 -0.55 -0.31 0.00 0.00 175.10 174.81 2csf s SER 36 N -3.72 4.74 0.46 4.85 0.15 -1.26 -4.54 113.70 114.38 2csf s SER 36 Ca 0.17 -0.79 0.19 0.00 0.70 0.00 0.00 55.95 56.22 2csf s SER 36 Cb 0.03 -0.69 1.17 0.00 -1.71 0.00 0.00 66.02 64.81 2csf s SER 36 CO 0.10 -0.38 1.93 1.56 1.20 0.00 0.00 173.24 177.65 2csf h GLN 37 N 1.44 0.28 -0.17 5.44 4.20 -1.96 -0.77 115.11 123.56 2csf h GLN 37 Ca -0.43 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 2csf h GLN 37 Cb 1.25 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 2csf h GLN 37 CO 0.63 0.18 -0.09 0.00 -0.67 0.00 0.00 178.83 178.88 2csf h ALA 38 N 1.66 0.25 0.53 3.87 0.00 -1.92 -2.03 119.26 121.61 2csf h ALA 38 Ca 0.35 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2csf h ALA 38 Cb 0.96 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2csf h ALA 38 CO -0.09 0.07 -0.25 1.25 0.00 0.00 0.00 179.25 180.23 2csf h LEU 39 N 0.05 -0.60 -1.00 0.00 7.12 -1.60 0.24 115.31 119.51 2csf h LEU 39 Ca 0.04 0.02 0.27 0.00 0.13 0.00 0.00 57.88 58.34 2csf h LEU 39 Cb 0.58 0.16 -0.13 0.00 -0.53 0.00 0.00 40.66 40.73 2csf h LEU 39 CO 0.03 -0.35 0.59 0.15 -0.13 0.00 0.00 178.44 178.72 2csf h PHE 40 N -0.86 0.99 0.00 1.25 3.04 -1.32 1.12 116.94 121.16 2csf h PHE 40 Ca -0.07 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 2csf h PHE 40 Cb 0.54 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 2csf h PHE 40 CO 0.06 -0.00 -0.10 0.00 -2.02 0.00 0.00 178.31 176.25 2csf h ALA 41 N 1.76 0.95 0.00 2.41 0.00 -1.30 0.14 119.26 123.22 2csf h ALA 41 Ca 0.67 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.36 2csf h ALA 41 Cb 1.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2csf h ALA 41 CO -0.51 0.12 -0.90 -0.22 0.00 0.00 0.00 179.25 177.74 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.46 0.92 116.57 121.05 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 0.96 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2csf h LYS 42 CO 0.01 0.43 -1.71 1.33 -2.81 0.00 0.00 179.45 176.70 2csf n VAL 43 N -3.09 0.00 -0.04 2.00 0.24 0.81 -3.36 118.33 114.89 2csf n VAL 43 Ca -0.03 -0.38 -0.02 0.00 -2.04 0.00 0.00 64.34 61.87 2csf n VAL 43 Cb 0.78 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.37 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 -2.05 0.24 0.72 2.33 0.00 0.50 -4.68 120.51 117.57 2csf n ALA 44 Ca -0.02 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.20 2csf n ALA 44 Cb 0.47 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 2csf n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2csf n ALA 45 N -3.00 3.88 -2.17 0.00 0.00 -1.02 -4.46 120.51 113.75 2csf n ALA 45 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 2csf n ALA 45 Cb 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.17 -4.23 -4.52 0.00 5.15 0.28 -4.96 115.26 105.82 2csf n ASN 46 Ca 0.03 0.02 -0.17 0.00 -0.60 0.00 0.00 54.58 53.86 2csf n ASN 46 Cb 0.25 -3.36 0.05 0.00 -0.53 0.00 0.00 39.78 36.20 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 -2.33 0.68 -3.49 1.20 4.76 0.70 -4.85 118.16 114.83 2csf n LYS 47 Ca -0.16 -2.73 -0.36 0.00 -2.87 0.00 0.00 58.31 52.20 2csf n LYS 47 Cb 0.60 -0.14 -0.06 0.00 -1.84 0.00 0.00 35.03 33.60 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 -4.06 6.74 0.14 4.39 0.01 -1.26 -3.76 113.70 115.90 2csf s SER 48 Ca 0.49 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.51 2csf s SER 48 Cb -0.04 -2.23 0.06 0.00 0.21 0.00 0.00 66.02 64.03 2csf s SER 48 CO 0.31 0.19 1.07 1.67 0.41 0.00 0.00 173.24 176.89 2csf n GLN 49 N 1.11 -0.23 -0.33 12.44 7.27 -1.26 0.15 117.38 136.52 2csf n GLN 49 Ca -0.09 1.05 0.21 0.00 0.07 0.00 0.00 57.00 58.24 2csf n GLN 49 Cb 0.52 -1.56 0.40 0.00 2.41 0.00 0.00 30.24 32.01 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 1.62 1.64 1.69 0.00 -1.93 1.66 103.07 107.74 2csf h GLY 50 Ca 0.18 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 2csf h GLY 50 CO -0.67 -0.62 -0.06 -0.25 0.00 0.00 0.00 176.54 174.95 2csf h TRP 51 N 0.01 0.47 0.00 5.60 7.01 0.93 -2.62 115.95 127.35 2csf h TRP 51 Ca 0.69 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.63 2csf h TRP 51 Cb 1.59 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 28.52 2csf h TRP 51 CO -0.32 0.51 -0.01 1.25 -2.79 0.00 0.00 178.44 177.08 2csf h LEU 52 N 0.43 0.00 -0.92 0.65 7.12 0.24 -3.26 115.31 119.57 2csf h LEU 52 Ca 0.09 -0.28 0.17 0.00 0.13 0.00 0.00 57.88 57.99 2csf h LEU 52 Cb 0.37 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.34 2csf h LEU 52 CO 0.02 0.65 -0.28 0.00 -0.13 0.00 0.00 178.44 178.70 2csf h GLU 54 N -0.01 -0.40 -0.94 0.00 5.08 -1.61 -0.46 114.58 116.24 2csf h GLU 54 Ca 0.41 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 59.07 2csf h GLU 54 Cb 0.65 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.83 2csf h GLU 54 CO -0.94 -0.26 0.22 -0.07 -1.00 0.00 0.00 179.01 176.95 2csf h LEU 55 N -0.41 -0.11 -0.64 1.33 4.07 -0.84 1.78 115.31 120.49 2csf h LEU 55 Ca 0.08 0.24 -0.07 0.00 0.08 0.00 0.00 57.88 58.21 2csf h LEU 55 Cb 0.53 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 2csf h LEU 55 CO -0.31 -0.27 -0.31 -0.07 -1.08 0.00 0.00 178.44 176.40 2csf h LEU 56 N 0.11 0.00 0.09 1.67 3.38 -0.96 0.34 115.31 119.94 2csf h LEU 56 Ca 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.58 2csf h LEU 56 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2csf h LEU 56 CO -0.77 0.31 -0.04 -0.09 0.09 0.00 0.00 178.44 177.94 2csf h ARG 57 N 0.00 -0.11 0.03 1.13 2.43 0.40 -3.39 114.38 114.88 2csf h ARG 57 Ca -0.00 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.99 2csf h ARG 57 Cb 0.99 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2csf h ARG 57 CO 0.04 -0.07 -0.75 -1.49 -1.51 0.00 0.00 179.97 176.20 2csf h TRP 58 N -1.03 0.69 -5.62 2.20 4.06 -0.35 -3.48 115.95 112.42 2csf h TRP 58 Ca -0.01 -0.40 -0.42 0.00 2.06 0.00 0.00 58.89 60.11 2csf h TRP 58 Cb 0.10 -0.07 0.03 0.00 -1.00 0.00 0.00 29.16 28.22 2csf h TRP 58 CO 0.00 1.24 -0.67 1.63 -3.56 0.00 0.00 178.44 177.08 2csf n LYS 59 N -4.12 -5.86 -1.45 0.49 5.02 0.12 -4.88 118.16 107.48 2csf n LYS 59 Ca -0.11 0.73 -0.40 0.00 -2.02 0.00 0.00 58.31 56.51 2csf n LYS 59 Cb 0.75 -5.64 0.02 0.00 -0.02 0.00 0.00 35.03 30.14 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 -4.51 0.52 -2.08 1.97 0.00 -1.26 -4.82 120.64 110.46 2csf n GLU 60 Ca -0.01 0.20 -0.43 0.00 0.00 0.00 0.00 57.16 56.92 2csf n GLU 60 Cb 0.56 -1.57 -0.03 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.04 6.45 0.35 4.31 2.47 -1.26 -4.92 114.94 121.30 2csf s ASN 61 Ca 0.65 1.80 -0.27 0.00 0.42 0.00 0.00 52.86 55.46 2csf s ASN 61 Cb -0.52 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 36.65 2csf s ASN 61 CO 0.57 -1.17 1.21 -2.16 -3.72 0.00 0.00 177.10 171.84 2csf s PRO 62 N 4.50 4.28 0.10 0.43 0.04 -1.26 -5.04 135.00 138.05 2csf s PRO 62 Ca 0.72 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 63.51 2csf s PRO 62 Cb -0.27 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.40 2csf s PRO 62 CO 0.29 -0.17 0.59 -1.12 0.04 0.00 0.00 177.00 176.62 2csf s SER 63 N -0.82 -0.54 0.00 6.66 0.01 -1.26 -4.83 113.70 112.91 2csf s SER 63 Ca 0.51 0.15 0.16 0.00 1.31 0.00 0.00 55.95 58.08 2csf s SER 63 Cb -0.35 0.56 0.92 0.00 0.21 0.00 0.00 66.02 67.36 2csf s SER 63 CO 0.45 -0.85 1.35 -0.81 0.41 0.00 0.00 173.24 173.79 2csf n PRO 64 N 0.03 0.47 0.03 12.44 -0.04 -1.26 -2.72 135.00 143.95 2csf n PRO 64 Ca -0.18 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.07 2csf n PRO 64 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 2csf n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2csf h GLU 65 N 0.00 0.30 -6.71 0.54 5.08 -1.99 -3.44 114.58 108.36 2csf h GLU 65 Ca 0.00 -0.51 -0.56 0.00 -1.00 0.00 0.00 59.36 57.29 2csf h GLU 65 Cb 0.01 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2csf h GLU 65 CO 0.00 1.25 0.93 1.21 -1.00 0.00 0.00 179.01 181.40 2csf s ASN 66 N -7.13 6.62 -0.00 1.42 3.84 -1.10 -4.93 114.94 113.64 2csf s ASN 66 Ca -0.20 0.43 -0.04 0.00 0.21 0.00 0.00 52.86 53.27 2csf s ASN 66 Cb 0.06 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.19 2csf s ASN 66 CO 0.79 -1.27 0.53 0.03 -2.79 0.00 0.00 177.10 174.39 2csf h ARG 67 N 9.26 -0.13 -1.62 0.43 2.47 -1.86 0.77 114.38 123.71 2csf h ARG 67 Ca -0.23 0.01 0.48 0.00 -1.26 0.00 0.00 59.98 58.98 2csf h ARG 67 Cb 1.06 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 29.32 2csf h ARG 67 CO 1.13 -0.09 1.13 1.15 0.56 0.00 0.00 179.97 183.86 2csf h THR 68 N -0.25 0.13 0.00 2.04 2.02 -1.99 0.54 112.91 115.40 2csf h THR 68 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2csf h THR 68 Cb 0.10 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2csf h THR 68 CO 0.02 0.01 -0.11 0.25 0.37 0.00 0.00 175.52 176.06 2csf h LEU 69 N 0.03 0.00 -0.79 2.58 5.85 -1.94 -3.31 115.31 117.72 2csf h LEU 69 Ca 0.83 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.71 2csf h LEU 69 Cb 3.10 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.98 2csf h LEU 69 CO -0.14 0.17 -0.14 -0.25 -0.34 0.00 0.00 178.44 177.74 2csf h TRP 70 N -0.24 -0.32 0.00 1.25 2.91 0.11 0.19 115.95 119.86 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 0.11 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 2csf h TRP 70 CO -0.05 -0.32 -0.17 0.93 -1.03 0.00 0.00 178.44 177.81 2csf h GLU 71 N 0.02 -0.20 -0.17 2.65 5.08 -0.07 0.51 114.58 122.40 2csf h GLU 71 Ca 0.40 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.82 2csf h GLU 71 Cb 0.64 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 2csf h GLU 71 CO -0.78 -0.13 -0.22 -0.91 -1.00 0.00 0.00 179.01 175.96 2csf h ASN 72 N -0.21 -0.69 -0.16 1.42 2.35 -1.47 0.12 115.58 116.95 2csf h ASN 72 Ca 0.00 0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2csf h ASN 72 Cb 0.22 0.32 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2csf h ASN 72 CO -0.11 -0.27 0.24 -0.07 -1.65 0.00 0.00 177.43 175.57 2csf h LEU 73 N -0.26 0.00 -0.15 1.61 3.38 -0.41 -0.90 115.31 118.58 2csf h LEU 73 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2csf h LEU 73 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2csf h LEU 73 CO -0.32 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.03 2csf h THR 75 N 0.01 1.28 0.00 0.00 1.03 -0.84 -2.75 112.91 111.65 2csf h THR 75 Ca 0.02 -1.36 -0.10 0.00 -0.01 0.00 0.00 66.41 64.96 2csf h THR 75 Cb 0.74 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 69.20 2csf h THR 75 CO 0.04 0.43 -0.50 0.40 -0.01 0.00 0.00 175.52 175.89 2csf h ILE 76 N 0.45 1.11 -0.29 0.00 2.04 -1.38 -3.02 117.51 116.42 2csf h ILE 76 Ca 0.06 -1.87 -0.14 0.00 1.00 0.00 0.00 64.86 63.92 2csf h ILE 76 Cb 0.74 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2csf h ILE 76 CO 0.06 0.49 -0.38 -0.09 0.00 0.00 0.00 178.15 178.23 2csf h ARG 77 N 0.00 0.68 -0.07 2.37 9.65 -0.98 -2.96 114.38 123.07 2csf h ARG 77 Ca -0.00 -0.34 -0.12 0.00 -1.10 0.00 0.00 59.98 58.41 2csf h ARG 77 Cb 1.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 2csf h ARG 77 CO 0.06 0.94 -0.52 0.00 2.80 0.00 0.00 179.97 183.26 2csf h ARG 78 N 0.56 0.19 0.21 0.20 3.08 -1.44 -3.01 114.38 114.17 2csf h ARG 78 Ca 0.05 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2csf h ARG 78 Cb 0.90 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2csf h ARG 78 CO 0.08 0.67 -0.10 0.35 -1.07 0.00 0.00 179.97 179.89 2csf h PHE 79 N 0.15 -0.27 -0.14 3.04 3.04 -1.40 -2.60 116.94 118.77 2csf h PHE 79 Ca 0.00 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2csf h PHE 79 Cb 0.97 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 2csf h PHE 79 CO 0.01 -0.09 0.10 -0.07 -2.02 0.00 0.00 178.31 176.24 2csf h LEU 80 N -0.39 0.03 -1.96 0.59 3.38 -1.54 0.34 115.31 115.76 2csf h LEU 80 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2csf h LEU 80 Cb 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2csf h LEU 80 CO 0.05 0.02 0.00 0.78 0.09 0.00 0.00 178.44 179.38 2csf h ASN 81 N 0.04 0.00 -4.17 -0.43 2.35 -1.32 -3.43 115.58 108.61 2csf h ASN 81 Ca 0.06 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.31 2csf h ASN 81 Cb 0.21 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.66 2csf h ASN 81 CO -0.00 0.00 0.39 -0.76 -1.65 0.00 0.00 177.43 175.40 2csf s LEU 82 N -5.42 3.52 0.47 1.61 1.43 0.11 -4.94 118.68 115.45 2csf s LEU 82 Ca -0.02 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 54.81 2csf s LEU 82 Cb 0.10 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.70 2csf s LEU 82 CO 0.36 -1.34 1.16 -2.16 0.23 0.00 0.00 176.35 174.60 2csf s PRO 83 N -3.90 3.70 0.29 1.29 0.04 -1.26 -4.73 135.00 130.42 2csf s PRO 83 Ca 0.67 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2csf s PRO 83 Cb -0.19 -2.35 0.69 0.00 0.04 0.00 0.00 34.50 32.69 2csf s PRO 83 CO 0.36 -0.60 1.64 0.37 0.04 0.00 0.00 177.00 178.81 2csf h GLN 84 N 1.92 0.16 -0.21 4.56 5.75 -1.94 1.08 115.11 126.43 2csf h GLN 84 Ca -0.49 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.03 2csf h GLN 84 Cb 1.25 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2csf h GLN 84 CO 0.60 0.11 0.15 1.12 -2.65 0.00 0.00 178.83 178.15 2csf h HIS 85 N 0.17 0.11 0.05 3.99 2.07 -1.99 -1.69 115.15 117.86 2csf h HIS 85 Ca 0.54 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.06 2csf h HIS 85 Cb 1.09 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.04 2csf h HIS 85 CO -0.31 0.06 -0.02 0.93 -3.07 0.00 0.00 177.93 175.52 2csf h GLU 86 N 0.12 -0.06 -0.95 5.12 4.39 0.83 -3.10 114.58 120.92 2csf h GLU 86 Ca 0.09 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.06 2csf h GLU 86 Cb 0.23 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.72 2csf h GLU 86 CO -0.01 -0.04 0.11 0.00 -1.16 0.00 0.00 179.01 177.90 2csf h ARG 87 N -0.29 0.05 -0.85 2.33 3.08 -1.27 1.17 114.38 118.60 2csf h ARG 87 Ca -0.01 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2csf h ARG 87 Cb 0.05 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2csf h ARG 87 CO 0.01 0.04 0.56 -0.44 -1.07 0.00 0.00 179.97 179.06 2csf h ASP 88 N 0.05 0.84 -0.17 7.04 3.32 -1.44 -1.29 116.42 124.78 2csf h ASP 88 Ca 0.59 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.61 2csf h ASP 88 Cb 1.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 2csf h ASP 88 CO -0.84 0.54 -0.03 0.58 -1.72 0.00 0.00 179.24 177.77 2csf h VAL 89 N 0.95 1.28 -0.21 -1.35 2.07 0.14 -1.43 116.25 117.71 2csf h VAL 89 Ca 0.37 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2csf h VAL 89 Cb 0.21 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2csf h VAL 89 CO -0.13 0.29 0.07 0.40 0.02 0.00 0.00 177.57 178.21 2csf h ILE 90 N 0.03 0.94 -0.43 4.57 2.04 -0.78 0.11 117.51 123.98 2csf h ILE 90 Ca 0.04 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2csf h ILE 90 Cb 0.45 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2csf h ILE 90 CO 0.01 0.03 0.24 1.88 0.00 0.00 0.00 178.15 180.32 2csf h TYR 91 N 0.16 0.59 0.81 1.37 0.05 -1.26 -0.39 116.97 118.31 2csf h TYR 91 Ca 0.09 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 2csf h TYR 91 Cb 0.06 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 37.62 2csf h TYR 91 CO -0.12 0.44 -0.39 0.93 -1.05 0.00 0.00 178.16 177.97 2csf h GLU 92 N 0.57 -1.05 -0.88 4.88 4.39 -0.95 0.28 114.58 121.83 2csf h GLU 92 Ca 0.15 0.07 0.14 0.00 0.34 0.00 0.00 59.36 60.07 2csf h GLU 92 Cb 0.04 0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 28.84 2csf h GLU 92 CO -0.03 -0.69 0.48 0.93 -1.16 0.00 0.00 179.01 178.55 2csf h GLU 93 N -1.16 0.68 0.24 2.33 4.39 -0.77 -2.66 114.58 117.64 2csf h GLU 93 Ca -0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2csf h GLU 93 Cb 0.84 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2csf h GLU 93 CO 0.18 0.45 -0.12 1.49 -1.16 0.00 0.00 179.01 179.86 2csf h GLU 94 N 0.70 -0.32 -3.90 2.33 4.57 -0.91 -3.40 114.58 113.65 2csf h GLU 94 Ca 0.47 0.02 -0.72 0.00 -1.18 0.00 0.00 59.36 57.95 2csf h GLU 94 Cb 0.62 0.07 -0.32 0.00 -0.16 0.00 0.00 28.75 28.96 2csf h GLU 94 CO -0.34 -0.21 -0.29 0.45 -1.18 0.00 0.00 179.01 177.44 2csf s SER 95 N -3.25 5.68 0.86 1.04 0.15 0.99 -5.08 113.70 114.08 2csf s SER 95 Ca -0.05 -2.51 -0.12 0.00 0.70 0.00 0.00 55.95 53.98 2csf s SER 95 Cb 0.00 -1.97 0.11 0.00 -1.71 0.00 0.00 66.02 62.46 2csf s SER 95 CO 0.14 -0.51 1.17 -0.44 1.20 0.00 0.00 173.24 174.80 2csf s SER 96 N 1.61 3.31 -0.29 5.45 0.01 -1.02 -4.44 113.70 118.34 2csf s SER 96 Ca 0.13 2.26 -0.27 0.00 1.31 0.00 0.00 55.95 59.38 2csf s SER 96 Cb -0.20 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.64 2csf s SER 96 CO -0.04 -2.85 1.38 -0.83 0.41 0.00 0.00 173.24 171.31 2csf s GLY 97 N -2.46 0.20 0.28 3.44 0.00 -1.26 -5.03 107.32 102.49 2csf s GLY 97 Ca 0.69 3.14 0.06 0.00 0.00 0.00 0.00 44.72 48.62 2csf s GLY 97 CO 0.54 1.52 1.67 -0.56 0.00 0.00 0.00 173.10 176.27 2csf h PRO 98 N 2.64 0.22 -5.88 2.90 0.13 -2.03 -3.43 132.00 126.55 2csf h PRO 98 Ca -0.18 -0.12 -0.64 0.00 -0.87 0.00 0.00 66.00 64.19 2csf h PRO 98 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2csf h PRO 98 CO 0.20 0.64 1.46 0.45 -0.23 0.00 0.00 178.00 180.53 2csf n SER 99 N -3.98 1.96 -3.64 1.44 2.88 -1.26 -4.87 113.62 106.15 2csf n SER 99 Ca -0.02 0.32 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 2csf n SER 99 Cb 0.51 -1.25 -0.07 0.00 -0.75 0.00 0.00 64.21 62.65 2csf n SER 99 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2csf s SER 100 N 7.82 -0.37 0.00 -3.46 1.04 -1.26 -5.17 113.70 112.30 2csf s SER 100 Ca 1.11 0.69 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2csf s SER 100 Cb -0.85 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2csf s SER 100 CO 0.48 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.19