#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsf h GLY 7 N 0.00 0.96 0.94 1.08 0.00 -1.99 -0.42 103.07 103.63 1tsf h GLY 7 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1tsf h GLY 7 CO 0.00 0.55 -0.25 -2.08 0.00 0.00 0.00 176.54 174.75 1tsf h VAL 8 N 0.80 1.31 -0.27 4.60 2.07 -2.05 -3.07 116.25 119.64 1tsf h VAL 8 Ca 0.18 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1tsf h VAL 8 Cb 0.32 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1tsf h VAL 8 CO -0.00 0.45 0.07 -0.33 0.02 0.00 0.00 177.57 177.77 1tsf h GLU 9 N 0.38 0.39 -0.74 1.57 5.08 -1.97 -2.33 114.58 116.96 1tsf h GLU 9 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1tsf h GLU 9 Cb 0.82 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1tsf h GLU 9 CO 0.06 0.36 0.41 1.25 -1.00 0.00 0.00 179.01 180.09 1tsf h LEU 10 N 0.39 0.92 -1.17 1.33 5.85 -0.98 -2.33 115.31 119.32 1tsf h LEU 10 Ca 0.09 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1tsf h LEU 10 Cb 0.15 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1tsf h LEU 10 CO -0.00 0.74 -0.35 0.40 -0.34 0.00 0.00 178.44 178.88 1tsf h ILE 11 N 1.03 1.27 0.00 4.05 1.08 -1.40 -3.02 117.51 120.53 1tsf h ILE 11 Ca 0.26 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1tsf h ILE 11 Cb 0.02 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1tsf h ILE 11 CO -0.04 0.38 0.00 0.00 -0.69 0.00 0.00 178.15 177.79 1tsf n ALA 12 N -2.47 2.46 -2.58 1.87 0.00 -0.88 -4.86 120.51 114.04 1tsf n ALA 12 Ca -0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 1tsf n ALA 12 Cb 0.41 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 1tsf n ALA 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1tsf s ARG 13 N -2.59 2.08 0.06 0.00 1.70 -1.14 -4.83 118.95 114.23 1tsf s ARG 13 Ca 0.28 -1.56 -0.31 0.00 -0.47 0.00 0.00 55.73 53.67 1tsf s ARG 13 Cb 0.20 -2.02 -0.07 0.00 -0.57 0.00 0.00 34.95 32.50 1tsf s ARG 13 CO 0.46 0.33 1.38 0.34 -1.08 0.00 0.00 175.30 176.73 1tsf s ASP 14 N -3.63 6.85 0.00 -2.89 -1.08 -1.26 -4.89 116.67 109.78 1tsf s ASP 14 Ca 0.31 2.21 0.24 0.00 -0.52 0.00 0.00 52.55 54.79 1tsf s ASP 14 Cb -0.05 -2.57 1.42 0.00 -1.46 0.00 0.00 42.92 40.25 1tsf s ASP 14 CO 0.18 -0.67 1.81 0.79 0.52 0.00 0.00 175.17 177.81 1tsf n TRP 15 N 4.64 0.00 -1.70 -5.34 7.02 -1.26 -4.84 117.44 115.96 1tsf n TRP 15 Ca 0.12 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.17 1tsf n TRP 15 Cb 0.43 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 29.25 1tsf n TRP 15 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1tsf n ILE 16 N -1.04 0.05 0.00 -0.99 5.41 -1.26 -1.79 119.36 119.74 1tsf n ILE 16 Ca 0.17 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1tsf n ILE 16 Cb 0.10 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1tsf n ILE 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1tsf n GLY 17 N 3.68 2.62 3.90 7.39 0.00 0.04 -5.00 105.19 117.82 1tsf n GLY 17 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1tsf n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tsf s LEU 18 N 0.00 4.01 -0.08 0.99 1.43 -0.74 -4.79 118.68 119.51 1tsf s LEU 18 Ca 0.00 0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 53.70 1tsf s LEU 18 Cb 0.00 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1tsf s LEU 18 CO 0.00 -0.24 0.46 -0.04 0.23 0.00 0.00 176.35 176.77 1tsf s MET 19 N -3.65 4.23 0.08 1.70 -1.94 -1.26 -1.03 119.30 117.43 1tsf s MET 19 Ca 0.45 0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 1tsf s MET 19 Cb -0.11 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 1tsf s MET 19 CO 0.31 0.32 -0.04 0.14 -0.01 0.00 0.00 175.02 175.73 1tsf s VAL 20 N 0.09 0.44 -0.06 -6.03 -7.23 -0.22 -1.98 120.40 105.42 1tsf s VAL 20 Ca 0.25 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1tsf s VAL 20 Cb -0.16 -1.62 0.04 0.00 0.56 0.00 0.00 36.38 35.20 1tsf s VAL 20 CO 0.11 -0.92 0.12 -0.70 -0.31 0.00 0.00 175.10 173.40 1tsf s GLU 21 N -3.88 0.06 -0.24 4.82 2.12 -0.00 -1.43 118.70 120.15 1tsf s GLU 21 Ca 0.10 0.34 -0.29 0.00 0.36 0.00 0.00 54.97 55.47 1tsf s GLU 21 Cb 0.07 -0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 1tsf s GLU 21 CO -0.07 -0.17 1.37 0.08 -0.54 0.00 0.00 175.26 175.93 1tsf s VAL 22 N 1.17 4.06 -0.63 3.70 1.01 0.57 -0.55 120.40 129.74 1tsf s VAL 22 Ca -0.09 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.25 1tsf s VAL 22 Cb -0.12 -4.00 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1tsf s VAL 22 CO -0.05 -0.34 0.58 1.33 0.00 0.00 0.00 175.10 176.62 1tsf n VAL 23 N 6.03 0.00 -3.68 2.92 0.24 -0.53 0.05 118.33 123.36 1tsf n VAL 23 Ca 0.15 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1tsf n VAL 23 Cb 0.46 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.69 1tsf n VAL 23 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1tsf s GLU 24 N -2.38 0.54 -0.09 7.34 2.12 -1.16 -4.91 118.70 120.16 1tsf s GLU 24 Ca 0.05 0.93 -0.31 0.00 0.36 0.00 0.00 54.97 56.00 1tsf s GLU 24 Cb 0.11 0.08 0.09 0.00 0.26 0.00 0.00 34.13 34.67 1tsf s GLU 24 CO 0.58 -0.14 0.78 0.45 -0.54 0.00 0.00 175.26 176.39 1tsf s SER 25 N 1.31 -0.56 0.57 -1.70 0.15 -1.26 -1.09 113.70 111.11 1tsf s SER 25 Ca -0.08 0.61 0.35 0.00 0.70 0.00 0.00 55.95 57.53 1tsf s SER 25 Cb -0.07 0.46 1.58 0.00 -1.71 0.00 0.00 66.02 66.29 1tsf s SER 25 CO -0.13 -0.52 2.07 1.55 1.20 0.00 0.00 173.24 177.41 1tsf h PRO 26 N 2.85 0.00 -4.25 5.44 0.13 -1.96 -3.36 132.00 130.85 1tsf h PRO 26 Ca -0.24 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.15 1tsf h PRO 26 Cb 1.15 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.01 1tsf h PRO 26 CO 0.36 0.03 -0.34 1.21 -0.23 0.00 0.00 178.00 179.04 1tsf s ASN 27 N -5.66 5.92 0.52 1.44 3.84 -1.26 -4.94 114.94 114.80 1tsf s ASN 27 Ca -0.01 -1.72 0.26 0.00 0.21 0.00 0.00 52.86 51.60 1tsf s ASN 27 Cb 0.10 -2.10 1.38 0.00 -0.55 0.00 0.00 41.25 40.09 1tsf s ASN 27 CO 0.52 -0.72 1.97 0.45 -2.79 0.00 0.00 177.10 176.54 1tsf h HIS 28 N 8.63 0.05 -0.56 0.43 3.86 -1.99 -0.49 115.15 125.09 1tsf h HIS 28 Ca -0.25 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1tsf h HIS 28 Cb 1.09 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 1tsf h HIS 28 CO 0.66 0.02 0.39 1.03 0.86 0.00 0.00 177.93 180.89 1tsf h SER 29 N 0.04 0.09 1.41 2.45 0.87 -1.93 -1.92 113.55 114.57 1tsf h SER 29 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1tsf h SER 29 Cb 1.13 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1tsf h SER 29 CO -0.01 0.05 -0.46 -0.33 -0.53 0.00 0.00 176.83 175.54 1tsf h GLU 30 N 0.10 0.00 -6.60 2.24 5.08 -1.47 -3.46 114.58 110.47 1tsf h GLU 30 Ca 0.27 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.10 1tsf h GLU 30 Cb 0.92 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.21 1tsf h GLU 30 CO -0.03 0.00 0.91 0.08 -1.00 0.00 0.00 179.01 178.97 1tsf s VAL 31 N -3.25 2.60 0.00 3.13 1.01 -0.72 -1.73 120.40 121.44 1tsf s VAL 31 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1tsf s VAL 31 Cb 0.09 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1tsf s VAL 31 CO 0.71 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1tsf n GLY 32 N 3.80 2.19 3.68 4.51 0.00 0.11 -5.01 105.19 114.47 1tsf n GLY 32 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1tsf n GLY 32 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tsf n ILE 33 N -1.82 0.51 -3.91 -0.61 5.41 -0.70 -4.70 119.36 113.54 1tsf n ILE 33 Ca 0.00 -0.09 -0.12 0.00 1.00 0.00 0.00 62.75 63.54 1tsf n ILE 33 Cb 0.00 -1.99 -0.14 0.00 -0.71 0.00 0.00 39.64 36.80 1tsf n ILE 33 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1tsf s LYS 34 N 3.48 0.06 0.00 0.38 2.20 -1.26 -0.31 119.74 124.29 1tsf s LYS 34 Ca 0.88 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1tsf s LYS 34 Cb -0.59 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1tsf s LYS 34 CO 0.45 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 1tsf n GLY 35 N 3.00 -1.04 3.73 5.54 0.00 -0.51 -4.29 105.19 111.63 1tsf n GLY 35 Ca -0.13 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 1tsf n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tsf s GLU 36 N -1.58 4.30 -0.20 1.61 2.12 -0.48 -1.06 118.70 123.41 1tsf s GLU 36 Ca 0.00 0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 1tsf s GLU 36 Cb 0.00 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1tsf s GLU 36 CO 0.00 0.22 1.36 0.08 -0.54 0.00 0.00 175.26 176.38 1tsf s VAL 37 N 0.41 4.09 -0.64 3.70 1.01 -0.20 0.16 120.40 128.93 1tsf s VAL 37 Ca 0.25 1.28 0.19 0.00 0.00 0.00 0.00 61.98 63.71 1tsf s VAL 37 Cb -0.15 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 1tsf s VAL 37 CO 0.11 -0.25 0.69 1.33 0.00 0.00 0.00 175.10 176.98 1tsf n VAL 38 N 5.77 0.00 -3.54 2.92 0.24 0.44 -0.78 118.33 123.39 1tsf n VAL 38 Ca 0.15 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.34 62.12 1tsf n VAL 38 Cb 0.45 0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 1tsf n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1tsf s ASP 39 N -3.19 -0.62 -0.05 -1.34 3.68 -1.16 -4.92 116.67 109.07 1tsf s ASP 39 Ca 0.03 0.71 0.01 0.00 2.13 0.00 0.00 52.55 55.43 1tsf s ASP 39 Cb 0.14 0.56 0.02 0.00 -1.45 0.00 0.00 42.92 42.18 1tsf s ASP 39 CO 0.78 -0.54 -0.05 -0.70 0.13 0.00 0.00 175.17 174.79 1tsf s GLU 40 N -1.08 0.95 0.53 4.34 2.12 -1.26 -0.56 118.70 123.74 1tsf s GLU 40 Ca -0.09 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1tsf s GLU 40 Cb -0.00 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.43 1tsf s GLU 40 CO 0.08 -0.11 0.24 0.95 -0.54 0.00 0.00 175.26 175.88 1tsf s THR 41 N 1.08 1.46 0.23 -1.70 -4.23 -0.32 -4.84 115.64 107.32 1tsf s THR 41 Ca -0.08 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 1tsf s THR 41 Cb -0.14 -2.16 0.19 0.00 1.34 0.00 0.00 72.50 71.74 1tsf s THR 41 CO -0.01 0.00 1.81 -0.61 -0.54 0.00 0.00 174.62 175.27 1tsf h GLN 42 N 0.99 0.73 -0.01 3.99 4.15 -1.95 -3.25 115.11 119.76 1tsf h GLN 42 Ca -0.40 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1tsf h GLN 42 Cb 1.31 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1tsf h GLN 42 CO 0.64 0.48 -0.17 0.09 -1.93 0.00 0.00 178.83 177.94 1tsf n ASN 43 N -4.76 1.10 -4.24 -0.69 3.02 -1.26 -2.87 115.26 105.55 1tsf n ASN 43 Ca 0.12 -1.05 -0.16 0.00 -0.03 0.00 0.00 54.58 53.46 1tsf n ASN 43 Cb 0.25 0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.79 1tsf n ASN 43 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1tsf s THR 44 N -1.21 0.44 -0.08 3.41 -4.23 -1.23 -1.15 115.64 111.59 1tsf s THR 44 Ca 0.07 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1tsf s THR 44 Cb 0.07 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1tsf s THR 44 CO 0.21 0.00 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.43 1tsf s LEU 45 N -3.30 1.45 -0.36 4.79 1.43 -0.56 -1.18 118.68 120.95 1tsf s LEU 45 Ca 0.38 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1tsf s LEU 45 Cb 0.07 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 1tsf s LEU 45 CO 0.14 -0.03 0.38 -0.75 0.23 0.00 0.00 176.35 176.32 1tsf s LYS 46 N 1.09 3.43 -0.16 1.70 2.20 0.27 -1.50 119.74 126.77 1tsf s LYS 46 Ca -0.07 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1tsf s LYS 46 Cb -0.14 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 1tsf s LYS 46 CO -0.01 -0.61 -0.06 0.42 -0.36 0.00 0.00 175.35 174.73 1tsf s ILE 47 N 2.03 3.57 -0.46 5.43 1.01 0.15 -0.42 121.20 132.53 1tsf s ILE 47 Ca 0.12 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 1tsf s ILE 47 Cb -0.17 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.77 1tsf s ILE 47 CO 0.12 0.48 0.79 -0.32 0.00 0.00 0.00 174.94 176.02 1tsf s MET 48 N 0.59 3.39 0.50 2.79 -2.45 0.12 -0.11 119.30 124.15 1tsf s MET 48 Ca -0.04 -0.13 0.07 0.00 -1.25 0.00 0.00 55.69 54.34 1tsf s MET 48 Cb -0.15 -3.95 0.03 0.00 1.25 0.00 0.00 34.83 32.01 1tsf s MET 48 CO 0.03 -1.14 0.46 0.95 1.05 0.00 0.00 175.02 176.37 1tsf s THR 49 N 3.31 2.11 0.34 10.11 -4.23 -0.48 -1.38 115.64 125.43 1tsf s THR 49 Ca 0.30 -1.35 0.28 0.00 -1.18 0.00 0.00 61.69 59.73 1tsf s THR 49 Cb -0.12 -2.46 0.29 0.00 1.34 0.00 0.00 72.50 71.55 1tsf s THR 49 CO 0.22 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 175.99 1tsf h GLU 50 N 0.75 0.00 -0.00 3.99 5.08 -1.97 -2.05 114.58 120.38 1tsf h GLU 50 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1tsf h GLU 50 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1tsf h GLU 50 CO 0.54 0.14 -0.63 1.63 -1.00 0.00 0.00 179.01 179.69 1tsf n LYS 51 N -3.53 0.01 0.00 2.33 5.02 -1.26 -5.07 118.16 115.67 1tsf n LYS 51 Ca -0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1tsf n LYS 51 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1tsf n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tsf n GLY 52 N 1.50 0.96 3.73 0.72 0.00 -0.77 -5.08 105.19 106.25 1tsf n GLY 52 Ca 0.05 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1tsf n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tsf s LEU 53 N 0.00 4.40 -0.02 0.99 1.43 -1.26 -1.38 118.68 122.83 1tsf s LEU 53 Ca 0.00 2.37 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 1tsf s LEU 53 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1tsf s LEU 53 CO 0.00 -0.56 -0.09 -0.54 0.23 0.00 0.00 176.35 175.39 1tsf s LYS 54 N 0.28 0.91 -0.20 1.70 -0.14 0.85 -4.95 119.74 118.18 1tsf s LYS 54 Ca 0.59 -0.31 -0.06 0.00 -1.36 0.00 0.00 55.97 54.83 1tsf s LYS 54 Cb -0.36 -0.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.90 1tsf s LYS 54 CO 0.36 0.13 0.03 0.08 -0.76 0.00 0.00 175.35 175.18 1tsf s VAL 55 N 0.10 4.25 -0.05 3.17 1.01 -1.26 0.34 120.40 127.96 1tsf s VAL 55 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1tsf s VAL 55 Cb -0.07 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1tsf s VAL 55 CO 0.00 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.70 1tsf s VAL 56 N 0.87 1.23 0.64 2.92 1.01 -0.57 -4.97 120.40 121.53 1tsf s VAL 56 Ca 0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1tsf s VAL 56 Cb -0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1tsf s VAL 56 CO 0.02 0.37 1.15 0.00 0.00 0.00 0.00 175.10 176.64 1tsf s ALA 57 N 0.28 2.46 -0.17 5.51 0.00 -1.26 -1.49 121.76 127.08 1tsf s ALA 57 Ca -0.08 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 1tsf s ALA 57 Cb -0.12 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 1tsf s ALA 57 CO 0.03 -1.26 0.28 0.87 0.00 0.00 0.00 175.76 175.67 1tsf h LYS 58 N 0.36 0.00 -6.33 0.00 1.57 -1.47 -3.43 116.57 107.27 1tsf h LYS 58 Ca -0.48 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.67 1tsf h LYS 58 Cb 1.27 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.61 1tsf h LYS 58 CO 0.54 0.76 0.93 -2.13 -0.57 0.00 0.00 179.45 178.98 1tsf n ARG 59 N -4.54 1.96 -0.75 3.15 0.63 -1.26 -1.76 116.66 114.09 1tsf n ARG 59 Ca -0.20 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1tsf n ARG 59 Cb 0.51 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1tsf n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tsf n GLY 60 N 3.91 0.87 3.75 5.14 0.00 -1.26 -4.96 105.19 112.64 1tsf n GLY 60 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1tsf n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tsf s ARG 61 N -0.25 2.68 -0.04 1.61 3.00 -0.72 -4.32 118.95 120.90 1tsf s ARG 61 Ca 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 55.73 54.68 1tsf s ARG 61 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 34.95 32.49 1tsf s ARG 61 CO 0.00 0.42 -0.20 0.99 0.00 0.00 0.00 175.30 176.52 1tsf s THR 62 N -2.00 1.61 -0.00 0.02 2.01 -0.25 0.32 115.64 117.35 1tsf s THR 62 Ca 0.31 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.56 1tsf s THR 62 Cb -0.08 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1tsf s THR 62 CO 0.22 0.46 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.00 1tsf s PHE 63 N -0.12 2.20 -0.16 4.92 0.08 0.47 -1.45 117.98 123.93 1tsf s PHE 63 Ca -0.01 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.47 1tsf s PHE 63 Cb -0.11 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1tsf s PHE 63 CO 0.02 -0.00 0.37 0.50 -0.10 0.00 0.00 175.22 176.01 1tsf s ARG 64 N -0.73 4.27 -0.04 0.44 3.52 0.29 0.60 118.95 127.30 1tsf s ARG 64 Ca 0.10 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.96 1tsf s ARG 64 Cb -0.10 -3.45 -0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1tsf s ARG 64 CO -0.00 0.15 -0.15 0.08 -0.81 0.00 0.00 175.30 174.56 1tsf s VAL 65 N 0.71 1.29 -0.44 7.11 1.01 0.17 -0.82 120.40 129.43 1tsf s VAL 65 Ca 0.20 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1tsf s VAL 65 Cb -0.14 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1tsf s VAL 65 CO 0.07 0.38 0.48 0.26 0.00 0.00 0.00 175.10 176.28 1tsf s TRP 66 N 0.05 3.15 -0.08 5.22 0.51 -0.84 -0.96 118.94 125.99 1tsf s TRP 66 Ca -0.03 -0.39 -0.04 0.00 -2.12 0.00 0.00 56.10 53.52 1tsf s TRP 66 Cb -0.11 -3.03 0.04 0.00 -0.81 0.00 0.00 33.47 29.57 1tsf s TRP 66 CO 0.02 -0.76 0.19 -0.47 -0.51 0.00 0.00 176.95 175.41 1tsf s TYR 67 N 2.24 -0.24 -1.43 -1.98 6.04 0.29 -4.33 117.35 117.94 1tsf s TYR 67 Ca 0.13 0.62 -0.01 0.00 0.04 0.00 0.00 57.07 57.85 1tsf s TYR 67 Cb -0.17 -0.03 0.01 0.00 -1.04 0.00 0.00 41.96 40.73 1tsf s TYR 67 CO 0.14 -0.20 0.42 1.63 -1.54 0.00 0.00 175.55 176.00 1tsf n LYS 68 N 4.24 -3.22 -0.89 4.97 4.76 -1.26 -0.74 118.16 126.02 1tsf n LYS 68 Ca -0.26 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1tsf n LYS 68 Cb 0.52 -4.52 0.00 0.00 -1.84 0.00 0.00 35.03 29.19 1tsf n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tsf n GLY 69 N -1.98 0.40 3.47 0.72 0.00 -1.26 -4.99 105.19 101.55 1tsf n GLY 69 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1tsf n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsf s LYS 70 N -0.70 1.67 -0.21 1.61 3.01 0.08 -5.12 119.74 120.08 1tsf s LYS 70 Ca 0.00 -1.54 0.02 0.00 -1.01 0.00 0.00 55.97 53.43 1tsf s LYS 70 Cb 0.00 -1.89 0.04 0.00 -1.01 0.00 0.00 37.83 34.97 1tsf s LYS 70 CO 0.00 0.39 -0.16 0.42 0.51 0.00 0.00 175.35 176.51 1tsf s ILE 71 N -1.91 2.01 0.20 2.17 1.01 -1.26 -0.55 121.20 122.86 1tsf s ILE 71 Ca 0.24 -1.15 0.10 0.00 0.00 0.00 0.00 60.65 59.84 1tsf s ILE 71 Cb -0.07 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1tsf s ILE 71 CO 0.12 0.31 -0.21 -0.04 0.00 0.00 0.00 174.94 175.12 1tsf s MET 72 N 1.26 1.44 -0.25 2.79 -1.94 -0.13 -4.92 119.30 117.54 1tsf s MET 72 Ca -0.00 -1.53 -0.08 0.00 -1.71 0.00 0.00 55.69 52.37 1tsf s MET 72 Cb -0.16 -1.60 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 1tsf s MET 72 CO -0.10 0.33 0.09 1.03 -0.01 0.00 0.00 175.02 176.36 1tsf s ARG 73 N -2.91 3.74 -0.09 2.03 0.52 -1.26 0.43 118.95 121.41 1tsf s ARG 73 Ca 0.21 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 1tsf s ARG 73 Cb -0.06 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 32.04 1tsf s ARG 73 CO 0.09 -0.15 -0.19 0.42 0.02 0.00 0.00 175.30 175.50 1tsf s ILE 74 N 1.54 1.68 0.06 1.52 -1.09 0.20 -4.94 121.20 120.16 1tsf s ILE 74 Ca 0.06 -0.79 -0.30 0.00 -2.23 0.00 0.00 60.65 57.39 1tsf s ILE 74 Cb -0.15 -1.48 -0.05 0.00 -1.58 0.00 0.00 42.46 39.20 1tsf s ILE 74 CO 0.05 0.48 1.11 -0.54 -1.23 0.00 0.00 174.94 174.81 1tsf s LYS 75 N 0.56 4.50 0.53 2.79 -0.14 -1.26 -0.40 119.74 126.32 1tsf s LYS 75 Ca -0.15 1.65 0.27 0.00 -1.36 0.00 0.00 55.97 56.37 1tsf s LYS 75 Cb -0.17 -3.37 1.41 0.00 -1.68 0.00 0.00 37.83 34.02 1tsf s LYS 75 CO 0.05 -0.14 1.97 0.78 -0.76 0.00 0.00 175.35 177.25 1tsf h GLY 76 N 6.54 0.02 1.16 -3.33 0.00 -0.25 -0.62 103.07 106.59 1tsf h GLY 76 Ca -0.42 -0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.00 1tsf h GLY 76 CO 0.78 0.00 0.35 -0.55 0.00 0.00 0.00 176.54 177.12 1tsf h ASP 77 N 0.01 0.27 0.68 0.19 3.45 -1.79 -1.12 116.42 118.11 1tsf h ASP 77 Ca 0.30 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.73 1tsf h ASP 77 Cb 1.19 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 1tsf h ASP 77 CO -0.01 0.17 -0.17 -0.07 -1.57 0.00 0.00 179.24 177.59 1tsf h LEU 78 N 0.30 0.00 -3.02 1.55 3.38 -1.49 -3.12 115.31 112.91 1tsf h LEU 78 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1tsf h LEU 78 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1tsf h LEU 78 CO -0.05 0.17 0.00 2.30 0.09 0.00 0.00 178.44 180.95 1tsf n ILE 79 N -3.47 1.51 -0.76 1.22 -5.35 -0.51 -4.81 119.36 107.17 1tsf n ILE 79 Ca -0.01 -1.62 -0.09 0.00 -0.27 0.00 0.00 62.75 60.77 1tsf n ILE 79 Cb 0.34 0.11 -0.12 0.00 -1.74 0.00 0.00 39.64 38.23 1tsf n ILE 79 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1tsf n ASN 80 N -0.79 4.22 -3.95 7.28 5.15 -0.66 -4.74 115.26 121.78 1tsf n ASN 80 Ca 0.10 -2.27 -0.08 0.00 -0.60 0.00 0.00 54.58 51.73 1tsf n ASN 80 Cb 0.50 -1.12 -0.08 0.00 -0.53 0.00 0.00 39.78 38.55 1tsf n ASN 80 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1tsf s PHE 81 N 1.29 0.29 0.29 1.20 0.08 -1.14 -4.84 117.98 115.15 1tsf s PHE 81 Ca 0.48 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1tsf s PHE 81 Cb 0.23 -0.19 -0.12 0.00 -0.57 0.00 0.00 43.02 42.38 1tsf s PHE 81 CO 0.00 -0.47 1.60 0.54 -0.10 0.00 0.00 175.22 176.79 1tsf n ARG 82 N 0.08 2.71 -0.32 0.44 1.74 -1.26 -4.60 116.66 115.45 1tsf n ARG 82 Ca -0.15 0.96 0.12 0.00 -0.77 0.00 0.00 57.85 58.01 1tsf n ARG 82 Cb 0.61 -2.75 0.33 0.00 -1.02 0.00 0.00 32.46 29.64 1tsf n ARG 82 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1tsf h PRO 83 N 4.85 0.75 0.00 5.56 0.13 -1.88 0.13 132.00 141.53 1tsf h PRO 83 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1tsf h PRO 83 Cb 1.22 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1tsf h PRO 83 CO 0.80 0.50 0.00 1.05 -0.23 0.00 0.00 178.00 180.12 1tsf h GLU 84 N 0.78 0.00 -0.33 0.86 9.09 -1.95 0.27 114.58 123.28 1tsf h GLU 84 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1tsf h GLU 84 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1tsf h GLU 84 CO -0.28 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.53 1tsf n ASP 85 N -2.53 3.34 0.00 3.06 8.00 0.43 -5.20 116.55 123.64 1tsf n ASP 85 Ca -0.01 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1tsf n ASP 85 Cb 0.12 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1tsf n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35