#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 2.04 0.50 1.61 1.04 -1.26 -5.13 113.70 112.49 2csf s SER 2 Ca 0.00 -0.34 -0.19 0.00 0.48 0.00 0.00 55.95 55.90 2csf s SER 2 Cb 0.00 -0.70 -0.08 0.00 0.10 0.00 0.00 66.02 65.34 2csf s SER 2 CO 0.00 0.11 1.02 -0.44 0.98 0.00 0.00 173.24 174.92 2csf s SER 3 N 0.25 6.36 0.00 7.02 0.01 -1.26 -4.23 113.70 121.85 2csf s SER 3 Ca -0.08 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.02 2csf s SER 3 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2csf s SER 3 CO 0.03 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2csf n GLY 4 N -0.58 2.36 3.63 3.44 0.00 -1.26 -5.01 105.19 107.76 2csf n GLY 4 Ca 0.09 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 3.62 0.04 1.61 0.15 -1.26 -5.17 113.70 112.69 2csf s SER 5 Ca 0.00 -1.48 -0.00 0.00 0.70 0.00 0.00 55.95 55.16 2csf s SER 5 Cb 0.00 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 2csf s SER 5 CO 0.00 -0.64 -0.03 -0.94 1.20 0.00 0.00 173.24 172.83 2csf s SER 6 N -3.72 0.40 0.00 5.45 1.04 -1.26 -4.77 113.70 110.84 2csf s SER 6 Ca 0.25 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2csf s SER 6 Cb 0.07 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2csf s SER 6 CO 0.13 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2csf n GLY 7 N 0.93 6.36 3.65 7.32 0.00 -1.26 -5.10 105.19 117.09 2csf n GLY 7 Ca -0.19 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 1.27 4.05 -0.28 1.61 0.04 -1.26 -4.91 135.00 135.51 2csf s PRO 8 Ca 0.00 1.88 -0.36 0.00 0.04 0.00 0.00 61.00 62.55 2csf s PRO 8 Cb 0.00 -3.96 -0.12 0.00 0.04 0.00 0.00 34.50 30.46 2csf s PRO 8 CO 0.00 -0.98 2.02 -0.89 0.04 0.00 0.00 177.00 177.18 2csf n ILE 9 N 5.80 0.30 -1.74 0.56 2.08 -1.26 -4.86 119.36 120.24 2csf n ILE 9 Ca 0.17 -0.18 -0.42 0.00 0.56 0.00 0.00 62.75 62.88 2csf n ILE 9 Cb 0.44 -1.59 -0.01 0.00 -0.75 0.00 0.00 39.64 37.73 2csf n ILE 9 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2csf n LYS 10 N 7.20 2.61 -1.65 0.38 4.01 -1.26 -4.89 118.16 124.56 2csf n LYS 10 Ca 0.34 0.93 -0.44 0.00 -0.51 0.00 0.00 58.31 58.62 2csf n LYS 10 Cb 0.22 -2.68 -0.02 0.00 -0.51 0.00 0.00 35.03 32.04 2csf n LYS 10 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2csf n VAL 11 N 1.82 1.68 -3.68 -0.18 0.31 -1.26 -5.00 118.33 112.02 2csf n VAL 11 Ca 0.08 -0.42 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 2csf n VAL 11 Cb 0.36 -1.33 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 2csf n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2csf s ASP 12 N -0.23 -0.62 0.00 4.52 1.01 -1.26 -5.16 116.67 114.94 2csf s ASP 12 Ca 0.60 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.91 2csf s ASP 12 Cb -0.65 0.94 0.00 0.00 1.01 0.00 0.00 42.92 44.23 2csf s ASP 12 CO 0.58 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.37 2csf n GLY 13 N 4.09 1.35 2.35 0.21 0.00 -1.26 -4.96 105.19 106.96 2csf n GLY 13 Ca -0.21 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf n ALA 14 N -3.00 6.26 -2.79 4.61 0.00 -1.26 -4.95 120.51 119.38 2csf n ALA 14 Ca 0.00 -3.55 -0.13 0.00 0.00 0.00 0.00 53.44 49.76 2csf n ALA 14 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.92 0.52 0.31 0.00 0.01 -1.26 -5.16 114.94 107.45 2csf s ASN 15 Ca 0.63 -1.33 -0.24 0.00 -0.71 0.00 0.00 52.86 51.21 2csf s ASN 15 Cb 0.50 0.57 -0.10 0.00 0.41 0.00 0.00 41.25 42.64 2csf s ASN 15 CO -0.04 -1.14 0.89 -0.63 -1.51 0.00 0.00 177.10 174.68 2csf s ILE 16 N -3.59 4.31 -0.30 0.60 1.01 -1.26 -5.05 121.20 116.92 2csf s ILE 16 Ca 0.31 1.66 0.02 0.00 0.00 0.00 0.00 60.65 62.64 2csf s ILE 16 Cb 0.01 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.63 2csf s ILE 16 CO 0.16 0.11 -0.02 0.20 0.00 0.00 0.00 174.94 175.39 2csf s ASN 17 N -1.69 4.69 -0.13 3.58 -0.87 -1.26 -5.09 114.94 114.16 2csf s ASN 17 Ca 0.50 -1.68 -0.22 0.00 -1.57 0.00 0.00 52.86 49.89 2csf s ASN 17 Cb -0.17 -1.62 -0.03 0.00 -0.02 0.00 0.00 41.25 39.41 2csf s ASN 17 CO 0.22 -0.29 0.68 -0.63 -2.57 0.00 0.00 177.10 174.51 2csf s ILE 18 N 1.06 5.02 0.19 0.60 -1.09 -1.26 -5.06 121.20 120.66 2csf s ILE 18 Ca -0.01 1.34 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 2csf s ILE 18 Cb -0.20 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 2csf s ILE 18 CO -0.05 0.17 -0.15 0.42 -1.23 0.00 0.00 174.94 174.10 2csf s THR 19 N 1.39 1.71 0.41 2.92 -4.23 -1.26 -4.72 115.64 111.87 2csf s THR 19 Ca 0.33 -2.11 0.22 0.00 -1.18 0.00 0.00 61.69 58.96 2csf s THR 19 Cb -0.17 -1.96 0.42 0.00 1.34 0.00 0.00 72.50 72.14 2csf s THR 19 CO 0.14 -0.53 1.71 0.00 -0.54 0.00 0.00 174.62 175.41 2csf h ALA 20 N 2.78 2.39 -1.16 3.99 0.00 -1.91 0.31 119.26 125.67 2csf h ALA 20 Ca -0.39 0.09 0.33 0.00 0.00 0.00 0.00 54.91 54.93 2csf h ALA 20 Cb 1.22 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 2csf h ALA 20 CO 0.59 -0.89 0.77 0.00 0.00 0.00 0.00 179.25 179.72 2csf h ALA 21 N 1.63 2.57 -1.17 0.00 0.00 -1.99 0.27 119.26 120.56 2csf h ALA 21 Ca 0.68 0.05 0.43 0.00 0.00 0.00 0.00 54.91 56.07 2csf h ALA 21 Cb 1.88 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 19.60 2csf h ALA 21 CO -0.35 -1.01 0.70 0.97 0.00 0.00 0.00 179.25 179.55 2csf h ILE 22 N 0.23 0.05 -0.06 0.00 2.10 -0.78 0.64 117.51 119.70 2csf h ILE 22 Ca 0.65 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.56 2csf h ILE 22 Cb 1.96 -0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 37.69 2csf h ILE 22 CO -0.26 0.01 0.00 1.88 -1.08 0.00 0.00 178.15 178.70 2csf h TYR 23 N 0.04 0.11 -0.70 2.19 0.05 -1.14 -2.48 116.97 115.04 2csf h TYR 23 Ca 0.85 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.63 2csf h TYR 23 Cb 2.43 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 40.10 2csf h TYR 23 CO -0.01 0.38 0.45 -0.44 -1.05 0.00 0.00 178.16 177.49 2csf h ASP 24 N -0.19 0.77 -0.96 3.88 5.19 0.07 -2.16 116.42 123.02 2csf h ASP 24 Ca 0.02 -0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2csf h ASP 24 Cb 0.33 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2csf h ASP 24 CO 0.00 0.54 0.63 -0.33 -3.12 0.00 0.00 179.24 176.96 2csf h GLU 25 N 0.91 1.16 -0.72 3.56 5.08 -1.04 -2.05 114.58 121.48 2csf h GLU 25 Ca 0.27 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2csf h GLU 25 Cb -0.05 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 2csf h GLU 25 CO -0.08 0.77 0.39 0.82 -1.00 0.00 0.00 179.01 179.91 2csf h ILE 26 N 1.20 1.22 0.56 3.13 2.04 -0.92 0.29 117.51 125.03 2csf h ILE 26 Ca 0.38 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2csf h ILE 26 Cb 0.02 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2csf h ILE 26 CO -0.12 0.24 -0.27 1.56 0.00 0.00 0.00 178.15 179.56 2csf h GLN 27 N 0.99 -0.72 0.12 2.37 4.20 -1.05 -2.42 115.11 118.59 2csf h GLN 27 Ca 0.25 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 2csf h GLN 27 Cb 0.04 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2csf h GLN 27 CO -0.04 -0.48 -0.06 1.96 -0.67 0.00 0.00 178.83 179.55 2csf h GLN 28 N -0.76 -0.15 -1.26 1.46 4.20 -1.36 -2.68 115.11 114.55 2csf h GLN 28 Ca -0.08 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.03 2csf h GLN 28 Cb 0.58 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.29 2csf h GLN 28 CO 0.13 0.04 0.84 1.49 -0.67 0.00 0.00 178.83 180.65 2csf h GLU 29 N -0.32 0.16 0.35 1.46 4.57 -0.41 0.28 114.58 120.67 2csf h GLU 29 Ca -0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2csf h GLU 29 Cb 0.26 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2csf h GLU 29 CO 0.03 0.10 -0.17 0.52 -1.18 0.00 0.00 179.01 178.31 2csf h MET 30 N 0.16 -0.45 -0.06 1.92 2.86 -1.10 -0.12 114.93 118.14 2csf h MET 30 Ca 0.73 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 58.42 2csf h MET 30 Cb 2.29 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 34.05 2csf h MET 30 CO -0.30 -0.14 0.05 1.57 1.06 0.00 0.00 176.91 179.15 2csf h LYS 31 N -0.94 0.00 0.13 1.72 5.09 -0.78 1.28 116.57 123.07 2csf h LYS 31 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.40 2csf h LYS 31 Cb 0.53 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.88 2csf h LYS 31 CO 0.08 0.00 -1.25 -0.09 -2.09 0.00 0.00 179.45 176.10 2csf h ARG 32 N 0.00 0.50 -0.00 0.07 9.65 -0.51 -3.26 114.38 120.83 2csf h ARG 32 Ca 0.03 -0.72 0.00 0.00 -1.10 0.00 0.00 59.98 58.19 2csf h ARG 32 Cb 0.12 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2csf h ARG 32 CO -0.00 1.32 -0.46 0.00 2.80 0.00 0.00 179.97 183.63 2csf n ALA 33 N -2.63 3.48 -3.20 2.80 0.00 -0.06 -4.97 120.51 115.93 2csf n ALA 33 Ca -0.12 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 52.78 2csf n ALA 33 Cb 1.00 -1.10 0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.21 -5.57 -3.92 0.00 4.76 0.43 -4.98 118.16 107.67 2csf n LYS 34 Ca 0.08 0.68 -0.23 0.00 -2.87 0.00 0.00 58.31 55.96 2csf n LYS 34 Cb 0.34 -5.20 -0.05 0.00 -1.84 0.00 0.00 35.03 28.28 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 -3.75 0.00 -4.40 -0.18 0.24 -0.64 -4.96 118.33 104.64 2csf n VAL 35 Ca -0.17 -1.73 -0.27 0.00 -2.04 0.00 0.00 64.34 60.12 2csf n VAL 35 Cb 0.61 0.35 -0.12 0.00 -1.47 0.00 0.00 33.84 33.22 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 -3.01 3.50 0.45 -1.34 0.15 -1.26 -4.66 113.70 107.54 2csf s SER 36 Ca 0.00 -0.82 0.28 0.00 0.70 0.00 0.00 55.95 56.12 2csf s SER 36 Cb 0.00 -0.30 1.35 0.00 -1.71 0.00 0.00 66.02 65.36 2csf s SER 36 CO 0.00 0.13 1.70 1.56 1.20 0.00 0.00 173.24 177.83 2csf h GLN 37 N 3.29 0.17 -0.32 5.44 4.20 -1.97 0.53 115.11 126.45 2csf h GLN 37 Ca -0.47 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.14 2csf h GLN 37 Cb 1.20 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 2csf h GLN 37 CO 0.47 0.11 -0.13 0.00 -0.67 0.00 0.00 178.83 178.62 2csf h ALA 38 N 1.54 0.44 0.38 3.87 0.00 -1.93 -2.47 119.26 121.09 2csf h ALA 38 Ca 0.71 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2csf h ALA 38 Cb 2.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2csf h ALA 38 CO -0.28 0.32 -0.18 1.25 0.00 0.00 0.00 179.25 180.36 2csf h LEU 39 N 0.41 -0.43 -1.22 0.00 5.85 -0.39 0.17 115.31 119.70 2csf h LEU 39 Ca 0.07 0.01 0.37 0.00 0.84 0.00 0.00 57.88 59.17 2csf h LEU 39 Cb 0.64 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.65 2csf h LEU 39 CO 0.04 -0.18 0.69 0.15 -0.34 0.00 0.00 178.44 178.81 2csf h PHE 40 N -0.77 0.72 0.00 1.25 3.04 -1.24 1.77 116.94 121.70 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 0.39 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 2csf h PHE 40 CO 0.05 -0.18 -0.53 0.00 -2.02 0.00 0.00 178.31 175.63 2csf h ALA 41 N 1.73 0.66 0.00 2.41 0.00 -1.43 0.94 119.26 123.57 2csf h ALA 41 Ca 0.76 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2csf h ALA 41 Cb 2.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2csf h ALA 41 CO -0.50 0.66 -0.86 -0.22 0.00 0.00 0.00 179.25 178.34 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.45 1.44 116.57 121.57 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 1.40 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 2csf h LYS 42 CO 0.07 0.47 -1.19 1.33 -2.81 0.00 0.00 179.45 177.32 2csf n VAL 43 N -3.12 0.00 -0.07 2.00 0.24 0.20 -3.34 118.33 114.24 2csf n VAL 43 Ca -0.02 -0.17 -0.07 0.00 -2.04 0.00 0.00 64.34 62.03 2csf n VAL 43 Cb 0.79 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.66 0.82 0.64 2.33 0.00 0.32 -4.74 120.51 118.22 2csf n ALA 44 Ca 0.01 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 52.83 2csf n ALA 44 Cb 0.36 0.03 0.03 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 -4.09 2.80 -2.01 0.00 0.00 -0.77 -4.34 120.51 112.10 2csf n ALA 45 Ca -0.11 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 2csf n ALA 45 Cb 0.41 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 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 0.31 -5.69 -3.99 0.00 5.15 0.46 -4.93 115.26 106.57 2csf n ASN 46 Ca 0.07 0.25 -0.14 0.00 -0.60 0.00 0.00 54.58 54.17 2csf n ASN 46 Cb 0.34 -4.88 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 -2.70 0.66 -3.63 1.20 4.76 0.89 -4.82 118.16 114.52 2csf n LYS 47 Ca -0.23 -2.11 -0.33 0.00 -2.87 0.00 0.00 58.31 52.77 2csf n LYS 47 Cb 0.69 -0.20 -0.05 0.00 -1.84 0.00 0.00 35.03 33.63 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 -3.50 6.55 0.25 4.39 0.01 -1.26 -3.59 113.70 116.54 2csf s SER 48 Ca 0.42 0.67 -0.14 0.00 1.31 0.00 0.00 55.95 58.21 2csf s SER 48 Cb -0.03 -2.13 0.32 0.00 0.21 0.00 0.00 66.02 64.39 2csf s SER 48 CO 0.27 0.09 1.55 1.67 0.41 0.00 0.00 173.24 177.23 2csf n GLN 49 N 0.37 -0.19 -0.38 12.44 0.00 -1.26 0.11 117.38 128.47 2csf n GLN 49 Ca -0.04 1.54 0.30 0.00 -0.00 0.00 0.00 57.00 58.80 2csf n GLN 49 Cb 0.52 -2.30 0.57 0.00 0.00 0.00 0.00 30.24 29.03 2csf n GLN 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2csf h GLY 50 N 0.00 1.43 2.00 1.69 0.00 -1.94 1.43 103.07 107.68 2csf h GLY 50 Ca 0.39 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 2csf h GLY 50 CO -1.00 -0.34 -0.51 -0.25 0.00 0.00 0.00 176.54 174.44 2csf h TRP 51 N 0.23 0.00 0.00 5.60 7.01 0.37 -3.11 115.95 126.04 2csf h TRP 51 Ca 0.73 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.71 2csf h TRP 51 Cb 2.04 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 29.10 2csf h TRP 51 CO -0.01 0.51 -0.32 1.25 -2.79 0.00 0.00 178.44 177.08 2csf h LEU 52 N 0.00 0.00 -0.86 0.65 7.12 0.21 -3.30 115.31 119.13 2csf h LEU 52 Ca -0.01 -0.09 0.17 0.00 0.13 0.00 0.00 57.88 58.08 2csf h LEU 52 Cb 1.18 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.15 2csf h LEU 52 CO 0.07 0.71 -0.25 0.00 -0.13 0.00 0.00 178.44 178.84 2csf h GLU 54 N -0.01 -0.40 -0.93 0.00 5.08 -1.72 -0.22 114.58 116.37 2csf h GLU 54 Ca 0.39 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 59.03 2csf h GLU 54 Cb 0.62 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.80 2csf h GLU 54 CO -0.89 -0.27 0.07 -0.07 -1.00 0.00 0.00 179.01 176.86 2csf h LEU 55 N -0.42 -0.36 -0.72 1.33 4.07 -1.00 1.88 115.31 120.10 2csf h LEU 55 Ca 0.08 0.25 -0.06 0.00 0.08 0.00 0.00 57.88 58.24 2csf h LEU 55 Cb 0.55 0.42 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2csf h LEU 55 CO -0.32 -0.30 -0.27 -0.07 -1.08 0.00 0.00 178.44 176.40 2csf h LEU 56 N 0.06 0.00 0.13 1.67 3.38 -1.02 0.38 115.31 119.90 2csf h LEU 56 Ca 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.53 2csf h LEU 56 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2csf h LEU 56 CO -0.83 0.27 -0.06 -0.09 0.09 0.00 0.00 178.44 177.81 2csf h ARG 57 N 0.00 -0.17 0.02 1.13 2.43 0.44 -3.38 114.38 114.85 2csf h ARG 57 Ca -0.00 0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.91 2csf h ARG 57 Cb 0.93 0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2csf h ARG 57 CO 0.04 -0.09 -1.07 -1.49 -1.51 0.00 0.00 179.97 175.85 2csf h TRP 58 N -1.04 1.04 -6.22 2.20 4.06 -0.32 -3.48 115.95 112.20 2csf h TRP 58 Ca -0.02 -0.58 -0.46 0.00 2.06 0.00 0.00 58.89 59.90 2csf h TRP 58 Cb 0.16 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.20 2csf h TRP 58 CO 0.01 1.42 -0.78 1.63 -3.56 0.00 0.00 178.44 177.16 2csf n LYS 59 N -3.85 -5.47 -1.60 0.49 5.02 0.13 -4.88 118.16 108.00 2csf n LYS 59 Ca -0.11 0.62 -0.41 0.00 -2.02 0.00 0.00 58.31 56.39 2csf n LYS 59 Cb 0.89 -5.41 0.02 0.00 -0.02 0.00 0.00 35.03 30.51 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 -4.58 1.22 -1.89 1.97 0.00 -1.26 -4.84 120.64 111.26 2csf n GLU 60 Ca -0.06 0.44 -0.43 0.00 0.00 0.00 0.00 57.16 57.12 2csf n GLU 60 Cb 0.57 -2.03 -0.03 0.00 0.00 0.00 0.00 31.44 29.95 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 -0.84 6.20 0.37 4.31 3.84 -1.26 -4.93 114.94 122.63 2csf s ASN 61 Ca 0.65 1.97 -0.27 0.00 0.21 0.00 0.00 52.86 55.43 2csf s ASN 61 Cb -0.53 -2.53 -0.09 0.00 -0.55 0.00 0.00 41.25 37.55 2csf s ASN 61 CO 0.55 -1.35 1.20 -2.16 -2.79 0.00 0.00 177.10 172.56 2csf s PRO 62 N 4.96 4.19 0.09 0.43 0.04 -1.26 -5.04 135.00 138.42 2csf s PRO 62 Ca 0.82 1.95 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 2csf s PRO 62 Cb -0.31 -2.85 0.07 0.00 0.04 0.00 0.00 34.50 31.44 2csf s PRO 62 CO 0.33 -0.23 0.60 -1.12 0.04 0.00 0.00 177.00 176.62 2csf s SER 63 N -0.91 -0.55 0.00 6.66 0.01 -1.26 -4.85 113.70 112.80 2csf s SER 63 Ca 0.53 0.18 0.16 0.00 1.31 0.00 0.00 55.95 58.13 2csf s SER 63 Cb -0.34 0.56 0.93 0.00 0.21 0.00 0.00 66.02 67.38 2csf s SER 63 CO 0.43 -0.84 1.35 -0.81 0.41 0.00 0.00 173.24 173.78 2csf n PRO 64 N 0.05 0.48 0.04 12.44 -0.04 -1.26 -2.69 135.00 144.02 2csf n PRO 64 Ca -0.18 0.00 -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 0.33 -6.66 0.54 4.39 -1.99 -3.44 114.58 107.75 2csf h GLU 65 Ca 0.00 -0.57 -0.56 0.00 0.34 0.00 0.00 59.36 58.57 2csf h GLU 65 Cb 0.00 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 2csf h GLU 65 CO 0.00 1.27 0.92 1.21 -1.16 0.00 0.00 179.01 181.25 2csf s ASN 66 N -7.18 6.66 -0.00 1.42 3.84 -1.09 -4.94 114.94 113.65 2csf s ASN 66 Ca -0.19 0.56 -0.02 0.00 0.21 0.00 0.00 52.86 53.41 2csf s ASN 66 Cb 0.06 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 2csf s ASN 66 CO 0.81 -1.21 0.47 0.03 -2.79 0.00 0.00 177.10 174.41 2csf h ARG 67 N 9.12 -0.08 -1.66 0.43 2.47 -1.86 0.75 114.38 123.55 2csf h ARG 67 Ca -0.23 0.01 0.49 0.00 -1.26 0.00 0.00 59.98 58.98 2csf h ARG 67 Cb 1.06 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.33 2csf h ARG 67 CO 1.12 -0.05 1.19 1.15 0.56 0.00 0.00 179.97 183.93 2csf h THR 68 N -0.16 0.16 0.00 2.04 2.02 -1.99 0.54 112.91 115.52 2csf h THR 68 Ca -0.01 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2csf h THR 68 Cb 0.06 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2csf h THR 68 CO 0.01 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 176.02 2csf h LEU 69 N 0.01 0.00 -0.71 2.58 5.85 -1.95 -3.33 115.31 117.77 2csf h LEU 69 Ca 0.80 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.67 2csf h LEU 69 Cb 3.17 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 44.07 2csf h LEU 69 CO -0.04 0.20 -0.17 -0.25 -0.34 0.00 0.00 178.44 177.85 2csf h TRP 70 N -0.27 -0.36 -0.06 1.25 2.91 0.10 0.22 115.95 119.74 2csf h TRP 70 Ca 0.00 0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.10 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 -0.30 -0.21 0.93 -1.03 0.00 0.00 178.44 177.78 2csf h GLU 71 N 0.01 -0.20 -0.12 2.65 5.08 -0.06 0.52 114.58 122.44 2csf h GLU 71 Ca 0.34 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 2csf h GLU 71 Cb 0.53 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2csf h GLU 71 CO -0.73 -0.14 -0.14 -0.91 -1.00 0.00 0.00 179.01 176.10 2csf h ASN 72 N -0.21 -0.44 0.00 1.42 2.35 -1.51 0.84 115.58 118.03 2csf h ASN 72 Ca 0.01 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2csf h ASN 72 Cb 0.25 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2csf h ASN 72 CO -0.17 -0.19 0.10 -0.07 -1.65 0.00 0.00 177.43 175.46 2csf h LEU 73 N -0.18 0.00 -0.01 1.61 3.38 -0.22 -1.32 115.31 118.57 2csf h LEU 73 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2csf h LEU 73 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2csf h LEU 73 CO -0.23 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 178.00 2csf h THR 75 N -0.39 1.27 -0.06 0.00 1.03 -1.03 -2.90 112.91 110.83 2csf h THR 75 Ca -0.03 -1.37 -0.06 0.00 -0.01 0.00 0.00 66.41 64.94 2csf h THR 75 Cb 1.02 1.17 -0.01 0.00 -1.07 0.00 0.00 68.15 69.26 2csf h THR 75 CO 0.06 0.47 -0.23 0.40 -0.01 0.00 0.00 175.52 176.21 2csf h ILE 76 N 0.80 1.20 -0.58 0.00 2.04 -1.49 -2.67 117.51 116.81 2csf h ILE 76 Ca 0.10 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 2csf h ILE 76 Cb 0.79 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2csf h ILE 76 CO 0.07 0.27 -0.05 -0.09 0.00 0.00 0.00 178.15 178.35 2csf h ARG 77 N 0.10 1.05 -0.16 2.37 9.65 -1.26 -2.81 114.38 123.32 2csf h ARG 77 Ca 0.02 -0.36 -0.07 0.00 -1.10 0.00 0.00 59.98 58.47 2csf h ARG 77 Cb 0.47 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2csf h ARG 77 CO 0.03 1.05 -0.22 0.00 2.80 0.00 0.00 179.97 183.63 2csf h ARG 78 N 0.94 0.29 0.24 0.20 3.08 -1.33 -2.85 114.38 114.95 2csf h ARG 78 Ca 0.16 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2csf h ARG 78 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2csf h ARG 78 CO 0.04 0.51 -0.11 0.35 -1.07 0.00 0.00 179.97 179.68 2csf h PHE 79 N 0.26 -0.30 -0.45 3.04 3.04 -1.26 -2.62 116.94 118.65 2csf h PHE 79 Ca 0.04 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.03 2csf h PHE 79 Cb 0.55 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 2csf h PHE 79 CO 0.01 -0.14 0.30 -0.07 -2.02 0.00 0.00 178.31 176.39 2csf h LEU 80 N -0.38 0.37 -0.94 0.59 3.38 -1.44 0.34 115.31 117.24 2csf h LEU 80 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2csf h LEU 80 Cb 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2csf h LEU 80 CO 0.05 0.25 0.00 0.59 0.09 0.00 0.00 178.44 179.43 2csf n ASN 81 N -4.48 0.38 -4.82 -0.43 3.02 -0.99 -4.66 115.26 103.28 2csf n ASN 81 Ca 0.05 0.67 -0.33 0.00 -0.03 0.00 0.00 54.58 54.95 2csf n ASN 81 Cb 0.19 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 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 -4.01 3.65 0.50 3.41 1.43 0.11 -5.03 118.68 118.74 2csf s LEU 82 Ca -0.01 1.73 -0.21 0.00 -1.03 0.00 0.00 54.13 54.60 2csf s LEU 82 Cb 0.04 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.67 2csf s LEU 82 CO 0.14 -0.80 1.15 -2.16 0.23 0.00 0.00 176.35 174.91 2csf s PRO 83 N -3.85 3.55 0.28 1.29 0.04 -1.26 -4.74 135.00 130.32 2csf s PRO 83 Ca 0.62 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.37 2csf s PRO 83 Cb -0.13 -2.19 0.68 0.00 0.04 0.00 0.00 34.50 32.90 2csf s PRO 83 CO 0.30 -0.71 1.68 0.37 0.04 0.00 0.00 177.00 178.67 2csf h GLN 84 N 1.60 0.30 -0.03 4.56 5.75 -1.95 0.89 115.11 126.22 2csf h GLN 84 Ca -0.50 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 57.99 2csf h GLN 84 Cb 1.26 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 2csf h GLN 84 CO 0.58 0.20 0.02 1.12 -2.65 0.00 0.00 178.83 178.11 2csf h HIS 85 N 0.31 0.00 0.00 3.99 2.07 -2.00 -1.99 115.15 117.53 2csf h HIS 85 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 2csf h HIS 85 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 2csf h HIS 85 CO -0.20 0.00 -0.00 0.93 -3.07 0.00 0.00 177.93 175.58 2csf h GLU 86 N 0.00 0.00 -0.98 5.12 4.39 0.42 -3.23 114.58 120.30 2csf h GLU 86 Ca 0.01 0.00 0.28 0.00 0.34 0.00 0.00 59.36 60.00 2csf h GLU 86 Cb 0.06 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.53 2csf h GLU 86 CO -0.00 0.00 0.10 0.00 -1.16 0.00 0.00 179.01 177.95 2csf h ARG 87 N -0.28 0.02 -0.95 2.33 3.08 -1.28 1.11 114.38 118.42 2csf h ARG 87 Ca 0.00 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2csf h ARG 87 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2csf h ARG 87 CO 0.00 0.02 0.59 -0.44 -1.07 0.00 0.00 179.97 179.07 2csf h ASP 88 N 0.03 0.91 0.05 7.04 5.19 -1.51 -1.91 116.42 126.21 2csf h ASP 88 Ca 0.62 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 57.05 2csf h ASP 88 Cb 1.32 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2csf h ASP 88 CO -0.88 0.54 -0.03 0.58 -3.12 0.00 0.00 179.24 176.34 2csf h VAL 89 N 1.02 1.08 -0.33 -1.35 2.07 0.12 -0.75 116.25 118.12 2csf h VAL 89 Ca 0.44 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2csf h VAL 89 Cb 0.29 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2csf h VAL 89 CO -0.21 0.11 -0.13 0.40 0.02 0.00 0.00 177.57 177.75 2csf h ILE 90 N -0.26 0.56 -0.49 4.57 2.04 -0.91 0.19 117.51 123.20 2csf h ILE 90 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2csf h ILE 90 Cb 0.23 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2csf h ILE 90 CO 0.01 0.00 0.25 1.88 0.00 0.00 0.00 178.15 180.30 2csf h TYR 91 N -0.07 0.69 0.92 1.37 0.05 -1.32 -0.93 116.97 117.69 2csf h TYR 91 Ca 0.17 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 2csf h TYR 91 Cb 0.33 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2csf h TYR 91 CO -0.35 0.53 -0.49 0.93 -1.05 0.00 0.00 178.16 177.73 2csf h GLU 92 N 0.65 -1.25 -0.93 4.88 4.39 -0.34 0.30 114.58 122.28 2csf h GLU 92 Ca 0.17 0.09 0.14 0.00 0.34 0.00 0.00 59.36 60.10 2csf h GLU 92 Cb 0.08 0.28 -0.09 0.00 -0.10 0.00 0.00 28.75 28.93 2csf h GLU 92 CO -0.02 -0.83 0.55 0.93 -1.16 0.00 0.00 179.01 178.47 2csf h GLU 93 N -1.30 0.77 0.22 2.33 5.08 -0.65 -3.00 114.58 118.04 2csf h GLU 93 Ca -0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2csf h GLU 93 Cb 1.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2csf h GLU 93 CO 0.18 0.51 -0.11 1.49 -1.00 0.00 0.00 179.01 180.08 2csf h GLU 94 N 0.80 -0.29 -4.48 2.33 4.57 -0.93 -3.44 114.58 113.15 2csf h GLU 94 Ca 0.50 0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 58.10 2csf h GLU 94 Cb 0.63 0.06 -0.37 0.00 -0.16 0.00 0.00 28.75 28.92 2csf h GLU 94 CO -0.32 -0.19 -0.81 0.45 -1.18 0.00 0.00 179.01 176.95 2csf s SER 95 N -3.03 3.00 0.14 1.04 0.15 0.11 -5.09 113.70 110.01 2csf s SER 95 Ca -0.04 -0.69 -0.34 0.00 0.70 0.00 0.00 55.95 55.57 2csf s SER 95 Cb 0.00 -1.12 -0.14 0.00 -1.71 0.00 0.00 66.02 63.06 2csf s SER 95 CO 0.13 -0.13 1.61 -1.54 1.20 0.00 0.00 173.24 174.51 2csf n SER 96 N 4.77 3.17 -4.00 5.45 3.41 -1.19 -4.20 113.62 121.02 2csf n SER 96 Ca -0.14 1.07 -0.09 0.00 -0.26 0.00 0.00 58.87 59.45 2csf n SER 96 Cb 0.48 -1.43 -0.10 0.00 -0.26 0.00 0.00 64.21 62.90 2csf n SER 96 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2csf s GLY 97 N 1.24 0.28 0.24 5.00 0.00 -1.26 -5.07 107.32 107.75 2csf s GLY 97 Ca 0.80 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.49 2csf s GLY 97 CO 0.39 -0.83 1.27 2.56 0.00 0.00 0.00 173.10 176.50 2csf s PRO 98 N -2.29 4.42 1.18 2.90 0.04 -1.26 -5.01 135.00 134.98 2csf s PRO 98 Ca -0.08 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 2csf s PRO 98 Cb -0.04 -3.16 0.21 0.00 0.04 0.00 0.00 34.50 31.55 2csf s PRO 98 CO -0.04 -0.16 0.46 0.45 0.04 0.00 0.00 177.00 177.75 2csf n SER 99 N 1.96 -2.45 -4.94 6.66 2.88 -1.26 -5.02 113.62 111.45 2csf n SER 99 Ca 0.03 -0.26 -0.20 0.00 -1.33 0.00 0.00 58.87 57.11 2csf n SER 99 Cb 0.43 -1.04 0.06 0.00 -0.75 0.00 0.00 64.21 62.90 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 -2.16 5.09 0.00 -3.46 1.04 -1.26 -5.15 113.70 107.80 2csf s SER 100 Ca 0.60 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2csf s SER 100 Cb -0.16 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2csf s SER 100 CO 0.62 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 174.16