#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 -0.40 -0.42 1.61 0.15 -1.26 -5.10 113.70 108.29 2csf s SER 2 Ca 0.00 0.00 -0.37 0.00 0.70 0.00 0.00 55.95 56.28 2csf s SER 2 Cb 0.00 0.50 -0.16 0.00 -1.71 0.00 0.00 66.02 64.65 2csf s SER 2 CO 0.00 -0.80 1.73 -1.20 1.20 0.00 0.00 173.24 174.17 2csf n SER 3 N 0.10 0.69 -0.02 5.45 7.64 -1.26 -4.82 113.62 121.41 2csf n SER 3 Ca -0.17 0.63 -0.16 0.00 1.01 0.00 0.00 58.87 60.18 2csf n SER 3 Cb 0.62 -0.75 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 2csf n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2csf h GLY 4 N 7.04 0.20 -7.29 0.23 0.00 -2.08 -3.41 103.07 97.76 2csf h GLY 4 Ca -0.13 -0.42 -0.33 0.00 0.00 0.00 0.00 47.33 46.46 2csf h GLY 4 CO 0.90 0.37 0.85 -0.56 0.00 0.00 0.00 176.54 178.09 2csf s SER 5 N -6.49 5.13 0.29 0.19 0.01 -1.26 -4.95 113.70 106.61 2csf s SER 5 Ca -0.16 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.71 2csf s SER 5 Cb -0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2csf s SER 5 CO 0.76 -2.70 0.43 -0.44 0.41 0.00 0.00 173.24 171.69 2csf s SER 6 N 8.16 6.20 0.16 2.44 0.01 -1.26 -5.03 113.70 124.37 2csf s SER 6 Ca 0.70 0.05 -0.33 0.00 1.31 0.00 0.00 55.95 57.68 2csf s SER 6 Cb -0.08 -1.69 -0.16 0.00 0.21 0.00 0.00 66.02 64.30 2csf s SER 6 CO 0.04 -0.22 1.17 0.61 0.41 0.00 0.00 173.24 175.24 2csf n GLY 7 N -1.55 0.05 3.77 3.44 0.00 -1.26 -4.90 105.19 104.74 2csf n GLY 7 Ca -0.06 0.56 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.29 4.46 0.26 1.61 0.04 -1.26 -5.02 135.00 134.81 2csf s PRO 8 Ca 0.75 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.62 2csf s PRO 8 Cb -0.88 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 30.46 2csf s PRO 8 CO 0.52 -0.03 0.81 0.42 0.04 0.00 0.00 177.00 178.75 2csf s ILE 9 N -1.15 4.43 -0.30 0.56 1.01 -1.26 -5.05 121.20 119.43 2csf s ILE 9 Ca 0.47 1.49 -0.10 0.00 0.00 0.00 0.00 60.65 62.52 2csf s ILE 9 Cb -0.37 -3.92 0.18 0.00 0.01 0.00 0.00 42.46 38.36 2csf s ILE 9 CO 0.48 0.18 0.89 -0.75 0.00 0.00 0.00 174.94 175.75 2csf s LYS 10 N -2.00 0.33 -0.16 2.79 2.20 -1.26 -5.16 119.74 116.48 2csf s LYS 10 Ca 0.46 0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 56.60 2csf s LYS 10 Cb -0.17 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.57 2csf s LYS 10 CO 0.22 -0.30 0.41 0.54 -0.36 0.00 0.00 175.35 175.86 2csf s VAL 11 N 2.82 -0.01 -1.09 4.02 0.11 -1.26 -5.09 120.40 119.89 2csf s VAL 11 Ca 0.05 0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 2csf s VAL 11 Cb -0.11 -0.59 0.26 0.00 -1.53 0.00 0.00 36.38 34.41 2csf s VAL 11 CO -0.15 0.02 1.11 1.51 -3.33 0.00 0.00 175.10 174.25 2csf s ASP 12 N 0.72 7.26 0.35 3.54 -4.77 -1.26 -4.92 116.67 117.58 2csf s ASP 12 Ca -0.04 -3.47 0.00 0.00 -3.30 0.00 0.00 52.55 45.74 2csf s ASP 12 Cb -0.05 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.55 2csf s ASP 12 CO -0.05 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.08 2csf n GLY 13 N 2.93 -4.45 0.16 2.12 0.00 -1.26 -4.83 105.19 99.85 2csf n GLY 13 Ca 0.24 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 1.77 -0.30 -2.13 4.61 0.00 -2.05 -3.45 119.26 117.72 2csf h ALA 14 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 54.91 54.34 2csf h ALA 14 Cb 0.00 0.12 0.19 0.00 0.00 0.00 0.00 17.79 18.10 2csf h ALA 14 CO 0.00 -0.56 0.09 1.21 0.00 0.00 0.00 179.25 179.99 2csf s ASN 15 N -5.11 1.04 0.13 0.00 2.47 -1.26 -4.98 114.94 107.22 2csf s ASN 15 Ca -0.15 0.94 -0.30 0.00 0.42 0.00 0.00 52.86 53.78 2csf s ASN 15 Cb 0.03 -1.41 -0.06 0.00 -1.45 0.00 0.00 41.25 38.36 2csf s ASN 15 CO 0.61 -4.09 0.94 -0.63 -3.72 0.00 0.00 177.10 170.21 2csf s ILE 16 N -2.80 4.44 -0.44 -5.21 1.01 -1.26 -5.03 121.20 111.91 2csf s ILE 16 Ca 0.69 2.04 -0.08 0.00 0.00 0.00 0.00 60.65 63.29 2csf s ILE 16 Cb -0.15 -4.31 0.10 0.00 0.01 0.00 0.00 42.46 38.11 2csf s ILE 16 CO 0.58 0.36 0.28 0.21 0.00 0.00 0.00 174.94 176.37 2csf s ASN 17 N -0.24 5.60 0.12 3.58 2.47 -1.26 -5.08 114.94 120.14 2csf s ASN 17 Ca 0.45 -1.75 -0.27 0.00 0.42 0.00 0.00 52.86 51.71 2csf s ASN 17 Cb -0.24 -1.97 -0.07 0.00 -1.45 0.00 0.00 41.25 37.53 2csf s ASN 17 CO 0.30 -0.60 0.86 -0.63 -3.72 0.00 0.00 177.10 173.30 2csf s ILE 18 N 1.36 4.48 0.08 -5.21 -1.09 -1.26 -5.06 121.20 114.49 2csf s ILE 18 Ca 0.05 1.86 0.02 0.00 -2.23 0.00 0.00 60.65 60.35 2csf s ILE 18 Cb -0.24 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 2csf s ILE 18 CO -0.00 0.40 -0.07 0.42 -1.23 0.00 0.00 174.94 174.46 2csf s THR 19 N -0.44 0.65 0.38 2.92 -4.23 -1.26 -4.76 115.64 108.90 2csf s THR 19 Ca 0.41 -1.67 0.18 0.00 -1.18 0.00 0.00 61.69 59.43 2csf s THR 19 Cb -0.23 -1.35 0.38 0.00 1.34 0.00 0.00 72.50 72.64 2csf s THR 19 CO 0.27 -0.72 1.71 0.00 -0.54 0.00 0.00 174.62 175.34 2csf h ALA 20 N 3.44 2.19 -1.21 3.99 0.00 -1.89 0.32 119.26 126.10 2csf h ALA 20 Ca -0.35 0.12 0.35 0.00 0.00 0.00 0.00 54.91 55.02 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 0.57 -0.71 0.81 0.00 0.00 0.00 0.00 179.25 179.92 2csf h ALA 21 N 1.69 2.67 -1.37 0.00 0.00 -1.98 0.15 119.26 120.42 2csf h ALA 21 Ca 0.69 0.05 0.43 0.00 0.00 0.00 0.00 54.91 56.07 2csf h ALA 21 Cb 1.72 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.51 2csf h ALA 21 CO -0.43 -1.14 0.92 0.97 0.00 0.00 0.00 179.25 179.57 2csf h ILE 22 N 0.19 0.18 -0.12 0.00 2.10 -0.77 0.51 117.51 119.61 2csf h ILE 22 Ca 0.67 -0.03 -0.02 0.00 1.08 0.00 0.00 64.86 66.56 2csf h ILE 22 Cb 2.12 0.08 -0.00 0.00 -1.09 0.00 0.00 36.82 37.92 2csf h ILE 22 CO -0.25 0.02 -0.01 1.88 -1.08 0.00 0.00 178.15 178.71 2csf h TYR 23 N 0.10 0.25 -0.20 2.19 0.05 -0.90 -2.78 116.97 115.68 2csf h TYR 23 Ca 0.78 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.54 2csf h TYR 23 Cb 2.59 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 40.25 2csf h TYR 23 CO -0.00 0.48 0.07 -0.44 -1.05 0.00 0.00 178.16 177.22 2csf h ASP 24 N -0.05 0.09 -0.94 3.88 5.19 -0.16 -2.10 116.42 122.33 2csf h ASP 24 Ca 0.03 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 56.63 2csf h ASP 24 Cb 0.38 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.81 2csf h ASP 24 CO 0.01 0.08 0.60 -0.33 -3.12 0.00 0.00 179.24 176.48 2csf h GLU 25 N 0.17 0.68 -0.55 3.56 5.08 -1.33 -0.51 114.58 121.68 2csf h GLU 25 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2csf h GLU 25 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2csf h GLU 25 CO -0.08 0.45 0.22 0.82 -1.00 0.00 0.00 179.01 179.42 2csf h ILE 26 N 0.70 1.22 0.52 3.13 2.04 -1.10 0.31 117.51 124.33 2csf h ILE 26 Ca 0.50 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2csf h ILE 26 Cb 0.83 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2csf h ILE 26 CO -0.26 0.26 -0.29 1.56 0.00 0.00 0.00 178.15 179.42 2csf h GLN 27 N 0.75 -0.73 0.03 2.37 4.20 -0.79 -2.32 115.11 118.62 2csf h GLN 27 Ca 0.18 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2csf h GLN 27 Cb 0.19 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2csf h GLN 27 CO -0.02 -0.48 -0.01 1.96 -0.67 0.00 0.00 178.83 179.61 2csf h GLN 28 N -0.75 -0.04 -1.32 1.46 4.20 -1.39 -2.68 115.11 114.60 2csf h GLN 28 Ca -0.06 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.03 2csf h GLN 28 Cb 0.60 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 2csf h GLN 28 CO 0.09 0.17 0.91 1.49 -0.67 0.00 0.00 178.83 180.82 2csf h GLU 29 N -0.25 0.10 0.33 1.46 4.57 -0.35 0.30 114.58 120.74 2csf h GLU 29 Ca -0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2csf h GLU 29 Cb 0.23 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2csf h GLU 29 CO 0.01 0.07 -0.16 0.52 -1.18 0.00 0.00 179.01 178.27 2csf h MET 30 N 0.10 -0.42 -0.13 1.92 2.86 -1.08 -0.17 114.93 118.01 2csf h MET 30 Ca 0.69 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.40 2csf h MET 30 Cb 2.42 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 34.17 2csf h MET 30 CO -0.16 -0.18 0.13 1.57 1.06 0.00 0.00 176.91 179.32 2csf h LYS 31 N -1.06 0.00 0.19 1.72 5.09 -0.91 1.14 116.57 122.74 2csf h LYS 31 Ca -0.04 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.38 2csf h LYS 31 Cb 0.43 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.78 2csf h LYS 31 CO 0.07 0.00 -1.47 -0.09 -2.09 0.00 0.00 179.45 175.88 2csf h ARG 32 N 0.00 0.40 0.00 0.07 9.65 -0.50 -3.29 114.38 120.70 2csf h ARG 32 Ca 0.06 -0.68 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2csf h ARG 32 Cb 0.32 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2csf h ARG 32 CO -0.00 1.31 -0.43 0.00 2.80 0.00 0.00 179.97 183.65 2csf n ALA 33 N -2.68 3.35 -3.17 2.80 0.00 -0.08 -4.95 120.51 115.78 2csf n ALA 33 Ca -0.16 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 2csf n ALA 33 Cb 1.07 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.52 -5.04 -4.27 0.00 4.76 0.38 -4.99 118.16 107.48 2csf n LYS 34 Ca 0.06 0.54 -0.29 0.00 -2.87 0.00 0.00 58.31 55.74 2csf n LYS 34 Cb 0.34 -4.68 -0.04 0.00 -1.84 0.00 0.00 35.03 28.81 2csf n LYS 34 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2csf n VAL 35 N -3.99 0.00 -4.41 -0.18 0.24 -0.72 -4.94 118.33 104.34 2csf n VAL 35 Ca -0.02 -2.22 -0.27 0.00 -2.04 0.00 0.00 64.34 59.78 2csf n VAL 35 Cb 0.55 0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 33.08 2csf n VAL 35 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2csf s SER 36 N -3.82 3.46 0.45 -1.34 0.15 -1.26 -4.62 113.70 106.72 2csf s SER 36 Ca 0.10 -0.82 0.30 0.00 0.70 0.00 0.00 55.95 56.24 2csf s SER 36 Cb -0.01 -0.27 1.41 0.00 -1.71 0.00 0.00 66.02 65.44 2csf s SER 36 CO 0.07 0.14 1.65 1.56 1.20 0.00 0.00 173.24 177.86 2csf h GLN 37 N 3.36 0.12 -0.35 5.44 4.20 -1.97 0.77 115.11 126.68 2csf h GLN 37 Ca -0.48 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 2csf h GLN 37 Cb 1.20 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2csf h GLN 37 CO 0.46 0.08 -0.10 0.00 -0.67 0.00 0.00 178.83 178.60 2csf h ALA 38 N 1.54 0.48 0.36 3.87 0.00 -1.92 -2.42 119.26 121.16 2csf h ALA 38 Ca 0.78 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 2csf h ALA 38 Cb 2.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.15 2csf h ALA 38 CO -0.34 0.34 -0.17 1.25 0.00 0.00 0.00 179.25 180.33 2csf h LEU 39 N 0.46 -0.41 -1.24 0.00 5.85 0.11 0.44 115.31 120.53 2csf h LEU 39 Ca 0.09 0.01 0.37 0.00 0.84 0.00 0.00 57.88 59.19 2csf h LEU 39 Cb 0.61 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 2csf h LEU 39 CO 0.04 -0.15 0.71 0.15 -0.34 0.00 0.00 178.44 178.85 2csf h PHE 40 N -0.77 0.70 0.00 1.25 3.04 -1.25 1.76 116.94 121.67 2csf h PHE 40 Ca -0.05 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 2csf h PHE 40 Cb 0.37 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 2csf h PHE 40 CO 0.04 -0.18 -0.59 0.00 -2.02 0.00 0.00 178.31 175.56 2csf h ALA 41 N 1.72 0.68 0.00 2.41 0.00 -1.43 0.33 119.26 122.96 2csf h ALA 41 Ca 0.76 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2csf h ALA 41 Cb 2.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2csf h ALA 41 CO -0.49 0.63 -0.87 -0.22 0.00 0.00 0.00 179.25 178.30 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.46 1.88 116.57 122.02 2csf h LYS 42 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2csf h LYS 42 Cb 1.39 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.62 2csf h LYS 42 CO 0.06 0.55 -1.52 1.33 -2.81 0.00 0.00 179.45 177.06 2csf n VAL 43 N -3.16 0.00 -0.05 2.00 0.24 0.20 -3.34 118.33 114.22 2csf n VAL 43 Ca -0.02 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 2csf n VAL 43 Cb 0.81 0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.90 0.42 0.64 2.33 0.00 0.10 -4.73 120.51 117.38 2csf n ALA 44 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.03 2csf n ALA 44 Cb 0.44 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.43 3.41 -2.20 0.00 0.00 -0.86 -4.43 120.51 113.00 2csf n ALA 45 Ca -0.07 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.77 2csf n ALA 45 Cb 0.25 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.71 -4.69 -4.46 0.00 2.85 0.60 -4.94 115.26 103.90 2csf n ASN 46 Ca 0.04 0.03 -0.17 0.00 -0.11 0.00 0.00 54.58 54.38 2csf n ASN 46 Cb 0.26 -3.79 0.05 0.00 1.24 0.00 0.00 39.78 37.54 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 -2.50 0.68 -3.48 1.20 4.76 0.10 -4.83 118.16 114.10 2csf n LYS 47 Ca -0.18 -2.64 -0.33 0.00 -2.87 0.00 0.00 58.31 52.28 2csf n LYS 47 Cb 0.63 -0.17 -0.05 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 -4.00 6.65 0.25 4.39 0.01 -1.26 -3.68 113.70 116.05 2csf s SER 48 Ca 0.49 0.87 -0.14 0.00 1.31 0.00 0.00 55.95 58.49 2csf s SER 48 Cb -0.04 -2.21 0.32 0.00 0.21 0.00 0.00 66.02 64.30 2csf s SER 48 CO 0.31 0.03 1.53 1.67 0.41 0.00 0.00 173.24 177.19 2csf n GLN 49 N 0.30 -0.18 -0.37 12.44 7.27 -1.26 0.11 117.38 135.70 2csf n GLN 49 Ca -0.03 1.52 0.27 0.00 0.07 0.00 0.00 57.00 58.84 2csf n GLN 49 Cb 0.52 -2.26 0.54 0.00 2.41 0.00 0.00 30.24 31.45 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 1.53 2.00 1.69 0.00 -1.93 1.16 103.07 107.52 2csf h GLY 50 Ca 0.39 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 2csf h GLY 50 CO -0.99 -0.34 -0.56 -0.25 0.00 0.00 0.00 176.54 174.40 2csf h TRP 51 N 0.28 0.00 0.00 5.60 7.01 0.46 -2.99 115.95 126.31 2csf h TRP 51 Ca 0.71 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.70 2csf h TRP 51 Cb 1.89 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.95 2csf h TRP 51 CO -0.01 0.56 -0.26 1.25 -2.79 0.00 0.00 178.44 177.20 2csf h LEU 52 N 0.00 0.00 -0.89 0.65 7.12 0.14 -3.28 115.31 119.06 2csf h LEU 52 Ca -0.01 -0.12 0.18 0.00 0.13 0.00 0.00 57.88 58.06 2csf h LEU 52 Cb 1.05 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.01 2csf h LEU 52 CO 0.07 0.70 -0.23 0.00 -0.13 0.00 0.00 178.44 178.85 2csf h GLU 54 N -0.00 -0.46 -0.99 0.00 5.08 -1.70 -0.41 114.58 116.10 2csf h GLU 54 Ca 0.42 0.03 0.35 0.00 -1.00 0.00 0.00 59.36 59.16 2csf h GLU 54 Cb 0.65 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.84 2csf h GLU 54 CO -0.92 -0.31 0.45 -0.07 -1.00 0.00 0.00 179.01 177.17 2csf h LEU 55 N -0.48 0.26 -0.18 1.33 4.07 -0.93 1.94 115.31 121.32 2csf h LEU 55 Ca 0.05 0.23 -0.10 0.00 0.08 0.00 0.00 57.88 58.14 2csf h LEU 55 Cb 0.54 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 2csf h LEU 55 CO -0.22 -0.29 -0.48 -0.07 -1.08 0.00 0.00 178.44 176.31 2csf h LEU 56 N 0.14 0.00 0.10 1.67 3.38 -0.97 0.11 115.31 119.74 2csf h LEU 56 Ca 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.71 2csf h LEU 56 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2csf h LEU 56 CO -0.72 0.48 -0.05 -0.09 0.09 0.00 0.00 178.44 178.15 2csf h ARG 57 N 0.00 -0.13 0.03 1.13 2.43 0.44 -3.39 114.38 114.90 2csf h ARG 57 Ca -0.00 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2csf h ARG 57 Cb 1.30 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2csf h ARG 57 CO 0.06 0.06 -0.37 -1.49 -1.51 0.00 0.00 179.97 176.72 2csf h TRP 58 N -1.02 0.31 -5.89 2.20 4.06 -0.33 -3.48 115.95 111.80 2csf h TRP 58 Ca -0.01 -0.19 -0.38 0.00 2.06 0.00 0.00 58.89 60.37 2csf h TRP 58 Cb 0.25 -0.03 0.11 0.00 -1.00 0.00 0.00 29.16 28.49 2csf h TRP 58 CO 0.04 1.06 -0.80 1.63 -3.56 0.00 0.00 178.44 176.81 2csf n LYS 59 N -4.41 -5.71 -0.66 0.49 5.02 0.37 -4.94 118.16 108.32 2csf n LYS 59 Ca -0.11 0.72 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 2csf n LYS 59 Cb 0.59 -5.50 0.18 0.00 -0.02 0.00 0.00 35.03 30.29 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 -4.22 -1.51 -2.77 1.97 4.71 -1.26 -4.89 120.64 112.67 2csf n GLU 60 Ca -0.29 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.16 56.01 2csf n GLU 60 Cb 0.67 -1.79 -0.03 0.00 -1.01 0.00 0.00 31.44 29.27 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 -1.95 6.62 0.36 1.62 2.47 -1.26 -4.88 114.94 117.93 2csf s ASN 61 Ca 0.58 0.43 -0.27 0.00 0.42 0.00 0.00 52.86 54.02 2csf s ASN 61 Cb -0.15 -2.48 -0.09 0.00 -1.45 0.00 0.00 41.25 37.08 2csf s ASN 61 CO 0.66 -0.99 1.20 -2.16 -3.72 0.00 0.00 177.10 172.10 2csf s PRO 62 N 3.73 4.22 0.04 0.43 0.04 -1.26 -5.01 135.00 137.20 2csf s PRO 62 Ca 0.40 1.96 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 2csf s PRO 62 Cb -0.11 -2.87 0.09 0.00 0.04 0.00 0.00 34.50 31.66 2csf s PRO 62 CO 0.23 -0.21 0.78 -1.12 0.04 0.00 0.00 177.00 176.72 2csf s SER 63 N -0.89 -0.45 0.00 6.66 0.01 -1.26 -4.86 113.70 112.90 2csf s SER 63 Ca 0.53 0.05 0.16 0.00 1.31 0.00 0.00 55.95 58.00 2csf s SER 63 Cb -0.34 0.47 0.93 0.00 0.21 0.00 0.00 66.02 67.29 2csf s SER 63 CO 0.44 -0.73 1.34 -0.81 0.41 0.00 0.00 173.24 173.89 2csf n PRO 64 N -0.19 0.48 0.02 12.44 -0.04 -1.26 -2.60 135.00 143.85 2csf n PRO 64 Ca -0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 2csf n PRO 64 Cb 0.63 -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 0.25 -6.47 0.54 4.39 -1.99 -3.44 114.58 107.87 2csf h GLU 65 Ca 0.00 -0.43 -0.57 0.00 0.34 0.00 0.00 59.36 58.69 2csf h GLU 65 Cb 0.00 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 2csf h GLU 65 CO 0.00 1.12 0.84 1.21 -1.16 0.00 0.00 179.01 181.02 2csf s ASN 66 N -6.95 6.51 -0.01 1.42 3.84 -1.07 -4.93 114.94 113.75 2csf s ASN 66 Ca -0.17 0.19 -0.06 0.00 0.21 0.00 0.00 52.86 53.03 2csf s ASN 66 Cb 0.07 -2.52 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 2csf s ASN 66 CO 0.81 -1.29 0.60 0.03 -2.79 0.00 0.00 177.10 174.46 2csf h ARG 67 N 9.31 -0.22 -1.33 0.43 2.47 -1.86 0.91 114.38 124.09 2csf h ARG 67 Ca -0.24 0.01 0.39 0.00 -1.26 0.00 0.00 59.98 58.89 2csf h ARG 67 Cb 1.06 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 29.35 2csf h ARG 67 CO 1.12 -0.14 0.91 1.15 0.56 0.00 0.00 179.97 183.57 2csf h THR 68 N -0.38 0.28 0.00 2.04 2.02 -1.99 0.49 112.91 115.37 2csf h THR 68 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2csf h THR 68 Cb 0.17 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2csf h THR 68 CO 0.04 0.02 -0.08 0.25 0.37 0.00 0.00 175.52 176.12 2csf h LEU 69 N 0.11 0.00 -0.81 2.58 5.85 -1.95 -3.32 115.31 117.77 2csf h LEU 69 Ca 0.71 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.60 2csf h LEU 69 Cb 2.46 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.33 2csf h LEU 69 CO -0.19 0.14 -0.17 -0.25 -0.34 0.00 0.00 178.44 177.63 2csf h TRP 70 N -0.21 -0.37 -0.02 1.25 2.91 0.12 0.58 115.95 120.20 2csf h TRP 70 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.08 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.01 2csf h TRP 70 CO -0.03 -0.34 -0.04 0.93 -1.03 0.00 0.00 178.44 177.93 2csf h GLU 71 N 0.01 -0.03 0.10 2.65 5.08 -0.14 0.46 114.58 122.72 2csf h GLU 71 Ca 0.40 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.78 2csf h GLU 71 Cb 0.64 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2csf h GLU 71 CO -0.82 -0.02 -0.44 -0.91 -1.00 0.00 0.00 179.01 175.82 2csf h ASN 72 N -0.03 -1.30 -0.49 1.42 2.35 -1.50 0.81 115.58 116.83 2csf h ASN 72 Ca 0.00 0.15 0.14 0.00 -0.55 0.00 0.00 56.30 56.04 2csf h ASN 72 Cb 0.04 0.49 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2csf h ASN 72 CO -0.03 -0.50 0.61 -0.07 -1.65 0.00 0.00 177.43 175.79 2csf h LEU 73 N -0.66 0.00 -0.04 1.61 3.38 -0.70 0.11 115.31 119.01 2csf h LEU 73 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2csf h LEU 73 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2csf h LEU 73 CO -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.21 2csf h THR 75 N -0.40 1.24 0.00 0.00 1.03 -0.46 -2.51 112.91 111.82 2csf h THR 75 Ca 0.00 -1.05 -0.10 0.00 -0.01 0.00 0.00 66.41 65.26 2csf h THR 75 Cb 0.61 0.99 -0.01 0.00 -1.07 0.00 0.00 68.15 68.68 2csf h THR 75 CO 0.01 0.36 -0.45 0.40 -0.01 0.00 0.00 175.52 175.83 2csf h ILE 76 N 0.65 1.11 -0.39 0.00 2.04 -1.33 -3.05 117.51 116.54 2csf h ILE 76 Ca 0.12 -1.68 -0.14 0.00 1.00 0.00 0.00 64.86 64.16 2csf h ILE 76 Cb 0.50 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2csf h ILE 76 CO 0.03 0.44 -0.31 -0.09 0.00 0.00 0.00 178.15 178.23 2csf h ARG 77 N 0.00 0.86 -0.03 2.37 9.65 -0.87 -2.90 114.38 123.46 2csf h ARG 77 Ca -0.00 -0.40 -0.08 0.00 -1.10 0.00 0.00 59.98 58.39 2csf h ARG 77 Cb 0.93 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 2csf h ARG 77 CO 0.06 1.05 -0.36 0.00 2.80 0.00 0.00 179.97 183.52 2csf h ARG 78 N 0.73 0.06 0.37 0.20 3.08 -1.40 -2.94 114.38 114.48 2csf h ARG 78 Ca 0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2csf h ARG 78 Cb 0.86 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2csf h ARG 78 CO 0.08 0.41 -0.18 0.35 -1.07 0.00 0.00 179.97 179.56 2csf h PHE 79 N 0.05 -0.46 -0.43 3.04 3.04 -1.43 -2.82 116.94 117.93 2csf h PHE 79 Ca 0.00 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.05 2csf h PHE 79 Cb 0.66 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 2csf h PHE 79 CO 0.00 -0.19 0.30 -0.07 -2.02 0.00 0.00 178.31 176.34 2csf h LEU 80 N -0.69 0.08 -1.20 0.59 3.38 -1.49 0.19 115.31 116.17 2csf h LEU 80 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2csf h LEU 80 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2csf h LEU 80 CO 0.08 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.25 2csf n ASN 81 N -4.44 0.58 -4.81 -0.43 3.02 -1.07 -4.69 115.26 103.42 2csf n ASN 81 Ca 0.07 0.73 -0.33 0.00 -0.03 0.00 0.00 54.58 55.02 2csf n ASN 81 Cb 0.44 -0.82 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 2csf n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2csf s LEU 82 N -4.46 3.65 0.49 3.41 1.43 0.68 -5.02 118.68 118.85 2csf s LEU 82 Ca -0.01 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 54.67 2csf s LEU 82 Cb 0.07 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 2csf s LEU 82 CO 0.24 -0.88 1.15 -2.16 0.23 0.00 0.00 176.35 174.94 2csf s PRO 83 N -3.77 3.63 0.30 1.29 0.04 -1.26 -4.74 135.00 130.49 2csf s PRO 83 Ca 0.64 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.44 2csf s PRO 83 Cb -0.14 -2.28 0.76 0.00 0.04 0.00 0.00 34.50 32.88 2csf s PRO 83 CO 0.29 -0.64 1.67 0.37 0.04 0.00 0.00 177.00 178.73 2csf h GLN 84 N 1.78 0.29 0.00 4.56 5.75 -1.95 0.96 115.11 126.50 2csf h GLN 84 Ca -0.50 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 57.98 2csf h GLN 84 Cb 1.25 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 2csf h GLN 84 CO 0.59 0.19 -0.01 1.12 -2.65 0.00 0.00 178.83 178.07 2csf h HIS 85 N 0.29 0.00 0.03 3.99 2.07 -2.00 -1.96 115.15 117.58 2csf h HIS 85 Ca 0.58 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.09 2csf h HIS 85 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 2csf h HIS 85 CO -0.18 0.01 -0.02 0.93 -3.07 0.00 0.00 177.93 175.60 2csf h GLU 86 N 0.00 -0.04 -0.95 5.12 4.39 0.58 -3.19 114.58 120.48 2csf h GLU 86 Ca -0.00 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.97 2csf h GLU 86 Cb 0.03 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.51 2csf h GLU 86 CO 0.00 -0.03 0.10 0.00 -1.16 0.00 0.00 179.01 177.92 2csf h ARG 87 N -0.28 0.04 -0.97 2.33 3.08 -1.32 1.09 114.38 118.36 2csf h ARG 87 Ca -0.00 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.15 2csf h ARG 87 Cb 0.04 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 2csf h ARG 87 CO 0.01 0.03 0.62 0.22 -1.07 0.00 0.00 179.97 179.77 2csf h ASP 88 N 0.05 0.89 -0.01 7.04 3.58 -1.49 -1.70 116.42 124.77 2csf h ASP 88 Ca 0.60 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 58.08 2csf h ASP 88 Cb 1.26 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2csf h ASP 88 CO -0.85 0.50 0.00 0.58 -2.88 0.00 0.00 179.24 176.59 2csf h VAL 89 N 0.97 1.20 -0.20 2.25 2.07 0.12 -1.49 116.25 121.18 2csf h VAL 89 Ca 0.46 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2csf h VAL 89 Cb 0.44 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2csf h VAL 89 CO -0.22 0.16 -0.14 0.40 0.02 0.00 0.00 177.57 177.79 2csf h ILE 90 N -0.23 0.60 -0.67 4.57 2.04 -0.81 0.14 117.51 123.15 2csf h ILE 90 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2csf h ILE 90 Cb 0.25 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2csf h ILE 90 CO 0.00 0.00 0.43 1.88 0.00 0.00 0.00 178.15 180.46 2csf h TYR 91 N -0.14 0.81 0.80 1.37 0.05 -1.32 0.63 116.97 119.18 2csf h TYR 91 Ca 0.12 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 2csf h TYR 91 Cb 0.31 -0.27 0.01 0.00 1.01 0.00 0.00 36.73 37.79 2csf h TYR 91 CO -0.29 0.49 -0.39 0.93 -1.05 0.00 0.00 178.16 177.85 2csf h GLU 92 N 0.86 -1.04 -0.98 4.88 4.39 -0.57 0.12 114.58 122.24 2csf h GLU 92 Ca 0.26 0.07 0.10 0.00 0.34 0.00 0.00 59.36 60.13 2csf h GLU 92 Cb -0.04 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 2csf h GLU 92 CO -0.08 -0.68 0.62 0.93 -1.16 0.00 0.00 179.01 178.64 2csf h GLU 93 N -1.14 1.00 0.12 2.33 5.08 -0.65 -3.13 114.58 118.18 2csf h GLU 93 Ca -0.11 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2csf h GLU 93 Cb 0.84 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2csf h GLU 93 CO 0.18 0.66 -0.06 1.49 -1.00 0.00 0.00 179.01 180.28 2csf h GLU 94 N 1.03 -0.16 -6.72 2.33 4.57 -0.72 -3.46 114.58 111.46 2csf h GLU 94 Ca 0.47 0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.99 2csf h GLU 94 Cb 0.38 0.04 -0.20 0.00 -0.16 0.00 0.00 28.75 28.81 2csf h GLU 94 CO -0.24 -0.10 -0.84 0.45 -1.18 0.00 0.00 179.01 177.10 2csf s SER 95 N -2.62 3.42 -0.61 1.04 0.15 0.41 -5.05 113.70 110.45 2csf s SER 95 Ca -0.02 -0.81 0.01 0.00 0.70 0.00 0.00 55.95 55.82 2csf s SER 95 Cb 0.00 -0.26 0.43 0.00 -1.71 0.00 0.00 66.02 64.48 2csf s SER 95 CO 0.07 0.14 1.76 -1.54 1.20 0.00 0.00 173.24 174.88 2csf n SER 96 N 0.50 6.79 -0.52 5.45 3.41 -1.26 -3.99 113.62 124.00 2csf n SER 96 Ca -0.14 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 2csf n SER 96 Cb 0.55 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2csf n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2csf n GLY 97 N -0.74 -3.25 3.76 5.00 0.00 -1.26 -4.53 105.19 104.17 2csf n GLY 97 Ca 0.54 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2csf n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2csf s PRO 98 N -4.56 4.45 -1.37 1.61 0.04 -1.26 -3.31 135.00 130.60 2csf s PRO 98 Ca 0.00 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 2csf s PRO 98 Cb 0.00 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.43 2csf s PRO 98 CO 0.00 -0.09 0.94 0.43 0.04 0.00 0.00 177.00 178.33 2csf n SER 99 N 1.36 -3.54 -4.87 6.66 7.64 -1.26 -4.97 113.62 114.63 2csf n SER 99 Ca 0.01 -0.71 -0.32 0.00 1.01 0.00 0.00 58.87 58.86 2csf n SER 99 Cb 0.43 -4.41 -0.05 0.00 -1.01 0.00 0.00 64.21 59.16 2csf n SER 99 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2csf s SER 100 N -3.82 6.63 0.00 6.43 1.04 -1.21 -5.23 113.70 117.54 2csf s SER 100 Ca 0.33 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2csf s SER 100 Cb -0.16 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2csf s SER 100 CO 0.78 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.59