#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 5.42 0.00 1.61 0.15 -1.26 -4.62 113.70 115.00 2csf s SER 2 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2csf s SER 2 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2csf s SER 2 CO 0.00 -2.31 0.00 -1.54 1.20 0.00 0.00 173.24 170.59 2csf n SER 3 N 12.27 3.76 0.00 5.45 3.41 -1.26 -5.14 113.62 132.11 2csf n SER 3 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2csf n SER 3 Cb 0.51 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 2csf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2csf n GLY 4 N 2.03 0.18 2.92 5.00 0.00 -1.26 -5.00 105.19 109.04 2csf n GLY 4 Ca 0.00 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 2csf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2csf s SER 5 N -4.00 0.48 0.24 1.61 1.04 -1.26 -5.10 113.70 106.70 2csf s SER 5 Ca 0.00 0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.56 2csf s SER 5 Cb 0.00 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 2csf s SER 5 CO 0.00 -0.23 1.34 -0.44 0.98 0.00 0.00 173.24 174.89 2csf s SER 6 N 2.17 6.82 -0.01 7.02 0.01 -1.26 -4.94 113.70 123.52 2csf s SER 6 Ca 0.01 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.49 2csf s SER 6 Cb -0.12 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 2csf s SER 6 CO -0.07 -0.56 1.71 -0.83 0.41 0.00 0.00 173.24 173.90 2csf s GLY 7 N 0.17 1.53 0.17 3.44 0.00 -1.26 -4.89 107.32 106.47 2csf s GLY 7 Ca 0.56 1.07 -0.30 0.00 0.00 0.00 0.00 44.72 46.04 2csf s GLY 7 CO 0.42 3.08 1.32 2.56 0.00 0.00 0.00 173.10 180.48 2csf s PRO 8 N 3.79 4.38 0.33 2.90 0.04 -1.26 -4.99 135.00 140.19 2csf s PRO 8 Ca 0.76 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 2csf s PRO 8 Cb -0.36 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 30.86 2csf s PRO 8 CO 0.32 -0.29 1.28 0.42 0.04 0.00 0.00 177.00 178.77 2csf s ILE 9 N 0.40 2.80 0.19 0.56 1.01 -1.26 -5.01 121.20 119.90 2csf s ILE 9 Ca 0.59 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.84 2csf s ILE 9 Cb -0.36 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 2csf s ILE 9 CO 0.36 0.19 0.71 -0.54 0.00 0.00 0.00 174.94 175.65 2csf s LYS 10 N -1.78 4.30 -0.07 2.79 -0.14 -1.26 -5.08 119.74 118.51 2csf s LYS 10 Ca 0.49 0.90 -0.08 0.00 -1.36 0.00 0.00 55.97 55.91 2csf s LYS 10 Cb -0.39 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2csf s LYS 10 CO 0.51 0.47 0.22 0.08 -0.76 0.00 0.00 175.35 175.87 2csf s VAL 11 N -1.38 0.02 -0.10 3.17 1.01 -1.26 -5.15 120.40 116.71 2csf s VAL 11 Ca 0.39 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 2csf s VAL 11 Cb -0.18 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2csf s VAL 11 CO 0.22 -0.08 0.25 -0.62 0.00 0.00 0.00 175.10 174.87 2csf s ASP 12 N -0.22 -0.26 -1.06 3.32 -1.08 -1.26 -4.93 116.67 111.18 2csf s ASP 12 Ca -0.03 0.50 -0.02 0.00 -0.52 0.00 0.00 52.55 52.48 2csf s ASP 12 Cb -0.03 0.48 -0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2csf s ASP 12 CO 0.01 -0.11 0.90 0.61 0.52 0.00 0.00 175.17 177.10 2csf n GLY 13 N 3.27 -0.56 3.63 2.66 0.00 -1.26 -5.02 105.19 107.91 2csf n GLY 13 Ca -0.16 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf s ALA 14 N -3.34 -2.06 0.19 4.61 0.00 -1.26 -5.14 121.76 114.76 2csf s ALA 14 Ca 0.15 1.76 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 2csf s ALA 14 Cb -0.02 -1.38 -0.13 0.00 0.00 0.00 0.00 23.12 21.59 2csf s ALA 14 CO 0.68 -0.21 0.33 0.09 0.00 0.00 0.00 175.76 176.65 2csf n ASN 15 N 1.45 -1.28 -4.59 0.00 4.13 -1.26 -4.63 115.26 109.08 2csf n ASN 15 Ca -0.10 0.83 -0.58 0.00 1.68 0.00 0.00 54.58 56.42 2csf n ASN 15 Cb 0.57 -0.73 -0.07 0.00 -1.54 0.00 0.00 39.78 38.00 2csf n ASN 15 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2csf n ILE 16 N -0.18 0.04 -3.36 2.41 5.41 -1.26 -4.90 119.36 117.52 2csf n ILE 16 Ca 0.13 -0.01 -0.45 0.00 1.00 0.00 0.00 62.75 63.42 2csf n ILE 16 Cb 0.22 -0.52 -0.07 0.00 -0.71 0.00 0.00 39.64 38.56 2csf n ILE 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2csf s ASN 17 N 1.06 6.15 0.15 4.38 3.84 -1.26 -5.06 114.94 124.20 2csf s ASN 17 Ca 0.92 -1.50 -0.28 0.00 0.21 0.00 0.00 52.86 52.21 2csf s ASN 17 Cb -1.16 -2.19 -0.07 0.00 -0.55 0.00 0.00 41.25 37.28 2csf s ASN 17 CO 0.58 -0.72 0.87 -0.63 -2.79 0.00 0.00 177.10 174.41 2csf s ILE 18 N 1.62 4.38 0.06 -5.21 -1.09 -1.26 -5.03 121.20 114.67 2csf s ILE 18 Ca 0.04 1.90 0.01 0.00 -2.23 0.00 0.00 60.65 60.37 2csf s ILE 18 Cb -0.26 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.34 2csf s ILE 18 CO 0.05 0.43 -0.06 0.42 -1.23 0.00 0.00 174.94 174.56 2csf s THR 19 N -0.64 0.44 0.44 2.92 -4.23 -1.26 -4.77 115.64 108.54 2csf s THR 19 Ca 0.41 -1.45 0.27 0.00 -1.18 0.00 0.00 61.69 59.75 2csf s THR 19 Cb -0.24 -1.04 0.47 0.00 1.34 0.00 0.00 72.50 73.03 2csf s THR 19 CO 0.28 -0.67 1.69 0.00 -0.54 0.00 0.00 174.62 175.38 2csf h ALA 20 N 3.81 2.64 -1.09 3.99 0.00 -1.89 0.36 119.26 127.07 2csf h ALA 20 Ca -0.35 0.07 0.31 0.00 0.00 0.00 0.00 54.91 54.94 2csf h ALA 20 Cb 1.18 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 2csf h ALA 20 CO 0.53 -1.16 0.69 0.00 0.00 0.00 0.00 179.25 179.31 2csf h ALA 21 N 1.56 2.28 -1.16 0.00 0.00 -1.95 0.45 119.26 120.43 2csf h ALA 21 Ca 0.72 0.09 0.43 0.00 0.00 0.00 0.00 54.91 56.15 2csf h ALA 21 Cb 2.21 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 19.92 2csf h ALA 21 CO -0.32 -0.76 0.69 0.97 0.00 0.00 0.00 179.25 179.83 2csf h ILE 22 N 0.34 0.04 -0.13 0.00 2.10 -0.69 0.71 117.51 119.88 2csf h ILE 22 Ca 0.66 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.58 2csf h ILE 22 Cb 1.73 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 2csf h ILE 22 CO -0.37 0.01 0.06 1.88 -1.08 0.00 0.00 178.15 178.65 2csf h TYR 23 N 0.03 0.19 0.08 2.19 0.05 -1.10 -2.39 116.97 116.01 2csf h TYR 23 Ca 0.85 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.63 2csf h TYR 23 Cb 2.44 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 40.11 2csf h TYR 23 CO -0.01 0.25 -0.11 -0.44 -1.05 0.00 0.00 178.16 176.80 2csf h ASP 24 N 0.07 -0.30 -0.99 3.88 3.32 0.27 -2.17 116.42 120.50 2csf h ASP 24 Ca 0.04 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.32 2csf h ASP 24 Cb 0.13 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.70 2csf h ASP 24 CO -0.00 -0.17 0.61 -0.33 -1.72 0.00 0.00 179.24 177.63 2csf h GLU 25 N -0.23 0.68 -0.35 3.56 5.08 -1.29 0.19 114.58 122.22 2csf h GLU 25 Ca 0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2csf h GLU 25 Cb 0.23 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2csf h GLU 25 CO -0.05 0.45 -0.09 0.82 -1.00 0.00 0.00 179.01 179.13 2csf h ILE 26 N 0.70 1.24 -0.24 3.13 2.04 -0.87 0.28 117.51 123.78 2csf h ILE 26 Ca 0.56 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2csf h ILE 26 Cb 0.95 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2csf h ILE 26 CO -0.33 0.35 -0.02 1.56 0.00 0.00 0.00 178.15 179.71 2csf h GLN 27 N 0.56 0.44 -0.02 2.37 4.20 -0.11 -2.90 115.11 119.64 2csf h GLN 27 Ca 0.10 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2csf h GLN 27 Cb 0.49 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2csf h GLN 27 CO 0.03 0.63 -0.08 1.96 -0.67 0.00 0.00 178.83 180.70 2csf h GLN 28 N 0.20 0.08 -1.12 1.46 4.20 -1.22 -3.20 115.11 115.52 2csf h GLN 28 Ca 0.07 -0.07 0.35 0.00 0.06 0.00 0.00 58.65 59.06 2csf h GLN 28 Cb 0.44 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.11 2csf h GLN 28 CO 0.02 0.73 0.69 1.49 -0.67 0.00 0.00 178.83 181.08 2csf h GLU 29 N -0.54 0.25 0.58 1.46 4.57 -0.50 0.29 114.58 120.68 2csf h GLU 29 Ca -0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2csf h GLU 29 Cb 0.74 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2csf h GLU 29 CO 0.02 0.17 -0.28 0.52 -1.18 0.00 0.00 179.01 178.25 2csf h MET 30 N 0.26 -0.75 -0.01 1.92 2.86 -1.52 0.30 114.93 117.99 2csf h MET 30 Ca 0.73 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.42 2csf h MET 30 Cb 1.94 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.77 2csf h MET 30 CO -0.47 -0.44 0.01 1.57 1.06 0.00 0.00 176.91 178.64 2csf h LYS 31 N -1.05 0.00 0.21 1.72 5.09 -1.04 0.92 116.57 122.43 2csf h LYS 31 Ca -0.08 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.33 2csf h LYS 31 Cb 0.66 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.01 2csf h LYS 31 CO 0.13 0.00 -1.53 -0.09 -2.09 0.00 0.00 179.45 175.87 2csf h ARG 32 N 0.00 0.45 0.00 0.07 9.65 -0.35 -3.30 114.38 120.91 2csf h ARG 32 Ca 0.00 -0.78 0.00 0.00 -1.10 0.00 0.00 59.98 58.11 2csf h ARG 32 Cb 0.02 0.29 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 2csf h ARG 32 CO -0.00 1.36 -0.41 0.00 2.80 0.00 0.00 179.97 183.72 2csf n ALA 33 N -2.73 3.06 -2.93 2.80 0.00 0.10 -4.96 120.51 115.85 2csf n ALA 33 Ca -0.18 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 2csf n ALA 33 Cb 1.09 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.72 -4.17 -4.57 0.00 4.76 0.31 -4.98 118.16 107.79 2csf n LYS 34 Ca 0.05 0.51 -0.28 0.00 -2.87 0.00 0.00 58.31 55.72 2csf n LYS 34 Cb 0.37 -4.52 -0.08 0.00 -1.84 0.00 0.00 35.03 28.97 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 -3.21 0.61 0.16 -0.18 -7.23 -0.74 -5.03 120.40 104.78 2csf s VAL 35 Ca 0.09 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.35 2csf s VAL 35 Cb -0.04 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2csf s VAL 35 CO 0.44 0.00 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.55 2csf s SER 36 N -3.68 4.14 0.49 4.85 0.15 -1.26 -4.58 113.70 113.81 2csf s SER 36 Ca 0.19 -0.57 0.37 0.00 0.70 0.00 0.00 55.95 56.63 2csf s SER 36 Cb 0.01 -0.67 1.53 0.00 -1.71 0.00 0.00 66.02 65.18 2csf s SER 36 CO 0.13 0.13 1.64 1.56 1.20 0.00 0.00 173.24 177.89 2csf h GLN 37 N 3.17 0.06 -0.42 5.44 4.20 -1.96 1.01 115.11 126.60 2csf h GLN 37 Ca -0.48 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 2csf h GLN 37 Cb 1.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2csf h GLN 37 CO 0.52 0.04 -0.07 0.00 -0.67 0.00 0.00 178.83 178.65 2csf h ALA 38 N 1.39 0.57 0.38 3.87 0.00 -1.92 -1.72 119.26 121.83 2csf h ALA 38 Ca 0.81 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 2csf h ALA 38 Cb 2.86 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.51 2csf h ALA 38 CO -0.24 0.42 -0.18 1.25 0.00 0.00 0.00 179.25 180.50 2csf h LEU 39 N 0.61 -0.43 -1.07 0.00 7.12 0.64 -0.76 115.31 121.43 2csf h LEU 39 Ca 0.11 0.01 0.27 0.00 0.13 0.00 0.00 57.88 58.41 2csf h LEU 39 Cb 0.58 0.11 -0.13 0.00 -0.53 0.00 0.00 40.66 40.70 2csf h LEU 39 CO 0.03 -0.09 0.61 0.15 -0.13 0.00 0.00 178.44 179.01 2csf h PHE 40 N -0.94 0.93 0.00 1.25 3.04 -1.35 1.09 116.94 120.96 2csf h PHE 40 Ca -0.05 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 2csf h PHE 40 Cb 0.39 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 2csf h PHE 40 CO 0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 178.31 176.20 2csf h ALA 41 N 1.74 0.94 0.00 2.41 0.00 -1.35 0.18 119.26 123.17 2csf h ALA 41 Ca 0.66 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.32 2csf h ALA 41 Cb 1.40 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2csf h ALA 41 CO -0.47 0.15 -0.93 -0.22 0.00 0.00 0.00 179.25 177.78 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.26 1.50 116.57 121.44 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 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 2csf h LYS 42 CO 0.02 0.48 -1.58 1.33 -2.81 0.00 0.00 179.45 176.88 2csf n VAL 43 N -3.11 0.00 -0.06 2.00 0.24 0.70 -3.34 118.33 114.75 2csf n VAL 43 Ca -0.03 -0.33 -0.05 0.00 -2.04 0.00 0.00 64.34 61.89 2csf n VAL 43 Cb 0.81 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.95 0.51 0.64 2.33 0.00 0.64 -4.69 120.51 117.99 2csf n ALA 44 Ca -0.02 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 52.98 2csf n ALA 44 Cb 0.43 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.67 2.97 -2.48 0.00 0.00 -0.91 -4.29 120.51 112.13 2csf n ALA 45 Ca -0.08 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 2csf n ALA 45 Cb 0.30 -0.51 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 0.04 -5.79 -4.97 0.00 5.15 0.47 -4.93 115.26 105.23 2csf n ASN 46 Ca 0.07 -0.03 -0.23 0.00 -0.60 0.00 0.00 54.58 53.78 2csf n ASN 46 Cb 0.32 -4.81 0.03 0.00 -0.53 0.00 0.00 39.78 34.79 2csf n ASN 46 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2csf s LYS 47 N -5.13 2.26 0.17 1.20 -0.14 0.14 -4.84 119.74 113.41 2csf s LYS 47 Ca 0.04 -1.87 -0.13 0.00 -1.36 0.00 0.00 55.97 52.65 2csf s LYS 47 Cb -0.02 -2.35 -0.07 0.00 -1.68 0.00 0.00 37.83 33.72 2csf s LYS 47 CO 0.04 -0.76 0.55 -1.12 -0.76 0.00 0.00 175.35 173.31 2csf s SER 48 N -4.47 6.76 0.16 2.83 0.01 -1.26 -3.63 113.70 114.10 2csf s SER 48 Ca 0.47 1.03 -0.19 0.00 1.31 0.00 0.00 55.95 58.57 2csf s SER 48 Cb -0.04 -2.27 0.08 0.00 0.21 0.00 0.00 66.02 64.00 2csf s SER 48 CO 0.29 0.05 1.23 1.67 0.41 0.00 0.00 173.24 176.90 2csf n GLN 49 N 0.52 -0.26 -0.33 12.44 7.27 -1.26 0.13 117.38 135.89 2csf n GLN 49 Ca -0.04 1.22 0.27 0.00 0.07 0.00 0.00 57.00 58.52 2csf n GLN 49 Cb 0.52 -1.80 0.50 0.00 2.41 0.00 0.00 30.24 31.88 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 2.02 1.71 1.69 0.00 -1.93 1.65 103.07 108.21 2csf h GLY 50 Ca 0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 2csf h GLY 50 CO -0.77 -0.68 -0.32 -0.25 0.00 0.00 0.00 176.54 174.52 2csf h TRP 51 N 0.06 0.37 0.00 5.60 7.01 0.75 -2.83 115.95 126.91 2csf h TRP 51 Ca 0.77 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.68 2csf h TRP 51 Cb 1.92 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.89 2csf h TRP 51 CO -0.11 0.61 -0.08 1.25 -2.79 0.00 0.00 178.44 177.32 2csf h LEU 52 N 0.29 0.00 -0.95 0.65 7.12 0.24 -3.27 115.31 119.39 2csf h LEU 52 Ca 0.04 -0.17 0.18 0.00 0.13 0.00 0.00 57.88 58.06 2csf h LEU 52 Cb 0.70 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 40.66 2csf h LEU 52 CO 0.05 0.63 -0.26 0.00 -0.13 0.00 0.00 178.44 178.73 2csf h GLU 54 N -0.00 -0.46 -0.98 0.00 5.08 -1.65 -0.32 114.58 116.24 2csf h GLU 54 Ca 0.44 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.17 2csf h GLU 54 Cb 0.68 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.87 2csf h GLU 54 CO -0.98 -0.31 0.39 -0.07 -1.00 0.00 0.00 179.01 177.05 2csf h LEU 55 N -0.48 0.14 -0.25 1.33 4.07 -0.80 1.98 115.31 121.30 2csf h LEU 55 Ca 0.06 0.24 -0.12 0.00 0.08 0.00 0.00 57.88 58.14 2csf h LEU 55 Cb 0.56 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 2csf h LEU 55 CO -0.26 -0.32 -0.56 -0.07 -1.08 0.00 0.00 178.44 176.15 2csf h LEU 56 N 0.10 0.00 0.15 1.67 3.38 -0.98 0.20 115.31 119.82 2csf h LEU 56 Ca 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.70 2csf h LEU 56 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2csf h LEU 56 CO -0.76 0.56 -0.07 -0.09 0.09 0.00 0.00 178.44 178.17 2csf h ARG 57 N 0.00 -0.20 0.06 1.13 2.43 0.45 -3.38 114.38 114.88 2csf h ARG 57 Ca -0.01 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2csf h ARG 57 Cb 1.32 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2csf h ARG 57 CO 0.07 0.02 -0.50 -1.49 -1.51 0.00 0.00 179.97 176.56 2csf h TRP 58 N -1.02 0.38 -5.91 2.20 4.06 -0.33 -3.48 115.95 111.84 2csf h TRP 58 Ca -0.02 -0.25 -0.38 0.00 2.06 0.00 0.00 58.89 60.29 2csf h TRP 58 Cb 0.31 -0.02 0.10 0.00 -1.00 0.00 0.00 29.16 28.54 2csf h TRP 58 CO 0.04 1.15 -0.80 1.63 -3.56 0.00 0.00 178.44 176.90 2csf n LYS 59 N -4.32 -5.77 -0.64 0.49 5.02 0.69 -4.94 118.16 108.68 2csf n LYS 59 Ca -0.12 0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 56.59 2csf n LYS 59 Cb 0.67 -5.50 0.17 0.00 -0.02 0.00 0.00 35.03 30.34 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 -4.27 -1.79 -3.00 1.97 4.71 -1.26 -4.90 120.64 112.10 2csf n GLU 60 Ca -0.27 -0.51 -0.42 0.00 -0.01 0.00 0.00 57.16 55.95 2csf n GLU 60 Cb 0.66 -1.65 -0.06 0.00 -1.01 0.00 0.00 31.44 29.38 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 -1.87 6.48 0.34 1.62 3.04 -1.26 -4.88 114.94 118.41 2csf s ASN 61 Ca 0.53 0.18 -0.28 0.00 0.04 0.00 0.00 52.86 53.33 2csf s ASN 61 Cb -0.10 -2.37 -0.10 0.00 -1.54 0.00 0.00 41.25 37.14 2csf s ASN 61 CO 0.61 -0.74 1.22 -2.16 -3.04 0.00 0.00 177.10 172.99 2csf s PRO 62 N 3.03 4.33 0.05 0.43 0.04 -1.26 -5.01 135.00 136.61 2csf s PRO 62 Ca 0.29 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2csf s PRO 62 Cb -0.13 -2.98 0.09 0.00 0.04 0.00 0.00 34.50 31.52 2csf s PRO 62 CO 0.18 -0.13 0.75 -1.12 0.04 0.00 0.00 177.00 176.71 2csf s SER 63 N -0.78 -0.48 0.00 6.66 0.01 -1.26 -4.86 113.70 112.99 2csf s SER 63 Ca 0.50 0.09 0.16 0.00 1.31 0.00 0.00 55.95 58.01 2csf s SER 63 Cb -0.35 0.49 0.93 0.00 0.21 0.00 0.00 66.02 67.29 2csf s SER 63 CO 0.46 -0.75 1.34 -0.81 0.41 0.00 0.00 173.24 173.89 2csf n PRO 64 N -0.14 0.49 0.02 12.44 -0.04 -1.26 -2.70 135.00 143.80 2csf n PRO 64 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 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 0.28 -6.67 0.54 5.08 -1.99 -3.44 114.58 108.38 2csf h GLU 65 Ca 0.00 -0.48 -0.56 0.00 -1.00 0.00 0.00 59.36 57.32 2csf h GLU 65 Cb 0.00 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2csf h GLU 65 CO 0.00 1.23 0.91 1.21 -1.00 0.00 0.00 179.01 181.36 2csf s ASN 66 N -7.10 6.60 -0.00 1.42 3.84 -1.10 -4.93 114.94 113.67 2csf s ASN 66 Ca -0.21 0.40 -0.03 0.00 0.21 0.00 0.00 52.86 53.23 2csf s ASN 66 Cb 0.06 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 2csf s ASN 66 CO 0.78 -1.27 0.51 0.03 -2.79 0.00 0.00 177.10 174.35 2csf h ARG 67 N 9.27 -0.09 -1.60 0.43 2.47 -1.86 0.83 114.38 123.83 2csf h ARG 67 Ca -0.23 0.01 0.48 0.00 -1.26 0.00 0.00 59.98 58.97 2csf h ARG 67 Cb 1.06 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.31 2csf h ARG 67 CO 1.13 -0.06 1.12 1.15 0.56 0.00 0.00 179.97 183.87 2csf h THR 68 N -0.17 0.13 0.00 2.04 2.02 -1.99 0.49 112.91 115.43 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 0.07 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2csf h THR 68 CO 0.02 0.01 -0.10 0.25 0.37 0.00 0.00 175.52 176.06 2csf h LEU 69 N 0.03 0.00 -0.81 2.58 5.85 -1.95 -3.32 115.31 117.69 2csf h LEU 69 Ca 0.82 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.71 2csf h LEU 69 Cb 3.06 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.94 2csf h LEU 69 CO -0.15 0.17 -0.18 -0.25 -0.34 0.00 0.00 178.44 177.69 2csf h TRP 70 N -0.23 -0.39 -0.02 1.25 2.91 0.12 0.14 115.95 119.72 2csf h TRP 70 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2csf h TRP 70 Cb 0.10 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 2csf h TRP 70 CO -0.04 -0.35 -0.08 0.93 -1.03 0.00 0.00 178.44 177.87 2csf h GLU 71 N 0.01 -0.09 -0.21 2.65 5.08 -0.17 0.48 114.58 122.32 2csf h GLU 71 Ca 0.40 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 2csf h GLU 71 Cb 0.62 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2csf h GLU 71 CO -0.83 -0.06 -0.25 -0.91 -1.00 0.00 0.00 179.01 175.96 2csf h ASN 72 N -0.09 -0.79 0.00 1.42 2.35 -1.48 0.28 115.58 117.26 2csf h ASN 72 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2csf h ASN 72 Cb 0.11 0.37 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2csf h ASN 72 CO -0.06 -0.29 0.16 -0.07 -1.65 0.00 0.00 177.43 175.52 2csf h LEU 73 N -0.27 0.00 0.02 1.61 3.38 -0.47 -1.56 115.31 118.02 2csf h LEU 73 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2csf h LEU 73 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2csf h LEU 73 CO -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.15 2csf h THR 75 N -0.67 1.24 -0.20 0.00 1.03 -1.03 -2.61 112.91 110.67 2csf h THR 75 Ca -0.00 -0.82 -0.03 0.00 -0.01 0.00 0.00 66.41 65.55 2csf h THR 75 Cb 0.63 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.52 2csf h THR 75 CO 0.00 0.30 0.01 0.40 -0.01 0.00 0.00 175.52 176.22 2csf h ILE 76 N 0.69 1.13 -0.48 0.00 2.04 -1.50 -2.28 117.51 117.11 2csf h ILE 76 Ca 0.16 -0.49 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 2csf h ILE 76 Cb 0.31 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2csf h ILE 76 CO -0.00 0.16 -0.18 -0.09 0.00 0.00 0.00 178.15 178.04 2csf h ARG 77 N 0.29 0.95 -0.08 2.37 9.65 -1.07 -2.85 114.38 123.64 2csf h ARG 77 Ca 0.07 -0.38 -0.09 0.00 -1.10 0.00 0.00 59.98 58.47 2csf h ARG 77 Cb 0.19 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2csf h ARG 77 CO 0.00 1.05 -0.37 0.00 2.80 0.00 0.00 179.97 183.45 2csf h ARG 78 N 0.83 0.17 0.05 0.20 3.08 -1.11 -2.94 114.38 114.66 2csf h ARG 78 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2csf h ARG 78 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2csf h ARG 78 CO 0.06 0.53 -0.02 0.35 -1.07 0.00 0.00 179.97 179.81 2csf h PHE 79 N 0.15 -0.06 -0.29 3.04 3.04 -1.22 -2.77 116.94 118.82 2csf h PHE 79 Ca 0.02 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.01 2csf h PHE 79 Cb 0.73 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2csf h PHE 79 CO 0.01 0.15 0.20 -0.07 -2.02 0.00 0.00 178.31 176.58 2csf h LEU 80 N -0.26 0.19 -2.58 0.59 3.38 -1.46 0.29 115.31 115.46 2csf h LEU 80 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2csf h LEU 80 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2csf h LEU 80 CO 0.01 0.13 0.00 0.78 0.09 0.00 0.00 178.44 179.45 2csf h ASN 81 N 0.22 0.00 -4.16 -0.43 2.35 -1.31 -3.43 115.58 108.82 2csf h ASN 81 Ca 0.13 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.37 2csf h ASN 81 Cb 0.23 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.69 2csf h ASN 81 CO -0.02 0.00 0.39 -0.76 -1.65 0.00 0.00 177.43 175.39 2csf s LEU 82 N -5.96 3.50 0.48 1.61 1.43 0.09 -5.00 118.68 114.83 2csf s LEU 82 Ca -0.04 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 54.92 2csf s LEU 82 Cb 0.12 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.70 2csf s LEU 82 CO 0.41 -1.53 1.16 -2.16 0.23 0.00 0.00 176.35 174.45 2csf s PRO 83 N -3.82 3.66 0.29 1.29 0.04 -1.26 -4.72 135.00 130.47 2csf s PRO 83 Ca 0.69 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.48 2csf s PRO 83 Cb -0.22 -2.31 0.70 0.00 0.04 0.00 0.00 34.50 32.71 2csf s PRO 83 CO 0.37 -0.62 1.63 0.37 0.04 0.00 0.00 177.00 178.79 2csf h GLN 84 N 1.85 0.16 -0.20 4.56 4.15 -1.94 1.10 115.11 124.79 2csf h GLN 84 Ca -0.49 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 58.95 2csf h GLN 84 Cb 1.25 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2csf h GLN 84 CO 0.59 0.11 0.14 1.12 -1.93 0.00 0.00 178.83 178.86 2csf h HIS 85 N 0.16 0.13 0.05 3.99 2.07 -1.99 -1.66 115.15 117.90 2csf h HIS 85 Ca 0.55 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.07 2csf h HIS 85 Cb 1.11 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.05 2csf h HIS 85 CO -0.31 0.08 -0.02 0.93 -3.07 0.00 0.00 177.93 175.54 2csf h GLU 86 N 0.14 -0.07 -0.94 5.12 4.39 0.88 -3.10 114.58 121.01 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 0.17 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.67 2csf h GLU 86 CO -0.01 -0.04 0.12 0.00 -1.16 0.00 0.00 179.01 177.92 2csf h ARG 87 N -0.28 0.06 -0.98 2.33 3.08 -1.27 0.99 114.38 118.32 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 0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 2csf h ARG 87 CO 0.01 0.04 0.63 -0.44 -1.07 0.00 0.00 179.97 179.15 2csf h ASP 88 N 0.07 0.99 -0.21 7.04 5.19 -1.43 -1.31 116.42 126.75 2csf h ASP 88 Ca 0.59 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.99 2csf h ASP 88 Cb 1.25 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 2csf h ASP 88 CO -0.82 0.62 0.04 0.58 -3.12 0.00 0.00 179.24 176.54 2csf h VAL 89 N 1.12 1.22 -0.02 -1.35 2.07 0.11 -0.95 116.25 118.44 2csf h VAL 89 Ca 0.43 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2csf h VAL 89 Cb 0.21 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2csf h VAL 89 CO -0.17 0.23 -0.05 0.40 0.02 0.00 0.00 177.57 177.99 2csf h ILE 90 N 0.16 0.87 -0.48 4.57 2.04 -0.80 0.14 117.51 124.01 2csf h ILE 90 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2csf h ILE 90 Cb 0.30 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2csf h ILE 90 CO 0.00 0.00 0.32 1.88 0.00 0.00 0.00 178.15 180.35 2csf h TYR 91 N -0.07 0.61 0.69 1.37 0.05 -1.23 0.03 116.97 118.41 2csf h TYR 91 Ca 0.03 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2csf h TYR 91 Cb 0.11 -0.21 0.01 0.00 1.01 0.00 0.00 36.73 37.65 2csf h TYR 91 CO -0.13 0.38 -0.33 0.93 -1.05 0.00 0.00 178.16 177.96 2csf h GLU 92 N 0.65 -0.89 -0.81 4.88 4.39 -0.90 0.35 114.58 122.26 2csf h GLU 92 Ca 0.18 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.05 2csf h GLU 92 Cb -0.07 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 2csf h GLU 92 CO -0.04 -0.57 0.43 0.93 -1.16 0.00 0.00 179.01 178.60 2csf h GLU 93 N -1.00 0.65 0.24 2.33 4.39 -0.66 -3.09 114.58 117.45 2csf h GLU 93 Ca -0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2csf h GLU 93 Cb 0.73 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2csf h GLU 93 CO 0.16 0.43 -0.12 1.49 -1.16 0.00 0.00 179.01 179.81 2csf h GLU 94 N 0.67 -0.31 -4.94 2.33 4.57 -0.84 -3.42 114.58 112.63 2csf h GLU 94 Ca 0.42 0.02 -0.66 0.00 -1.18 0.00 0.00 59.36 57.96 2csf h GLU 94 Cb 0.49 0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 28.98 2csf h GLU 94 CO -0.30 -0.21 -0.34 0.45 -1.18 0.00 0.00 179.01 177.43 2csf s SER 95 N -3.29 6.15 0.19 1.04 0.15 0.12 -5.06 113.70 112.99 2csf s SER 95 Ca -0.05 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.50 2csf s SER 95 Cb 0.00 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 2csf s SER 95 CO 0.14 -0.25 -0.03 -0.94 1.20 0.00 0.00 173.24 173.35 2csf s SER 96 N 1.72 1.67 0.10 5.45 1.04 -1.24 -4.28 113.70 118.15 2csf s SER 96 Ca 0.11 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2csf s SER 96 Cb -0.16 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2csf s SER 96 CO 0.11 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2csf n GLY 97 N -0.30 -1.69 3.63 7.32 0.00 -1.26 -4.76 105.19 108.12 2csf n GLY 97 Ca -0.07 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.70 3.75 0.00 1.61 0.04 -1.26 -4.77 135.00 132.68 2csf s PRO 98 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2csf s PRO 98 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2csf s PRO 98 CO 0.00 -1.35 0.00 0.45 0.04 0.00 0.00 177.00 176.14 2csf n SER 99 N 8.60 1.15 -4.92 6.66 2.88 -1.26 -5.10 113.62 121.63 2csf n SER 99 Ca 0.19 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.52 2csf n SER 99 Cb 0.45 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.97 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 -4.03 5.08 0.00 -3.46 0.15 -1.26 -5.23 113.70 104.96 2csf s SER 100 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2csf s SER 100 Cb 0.00 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 2csf s SER 100 CO 0.00 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.76