#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkf s GLU 4 N 1.53 3.56 -0.28 0.00 2.02 0.14 -1.22 118.70 124.46 2wkf s GLU 4 Ca -0.02 -0.53 -0.12 0.00 0.02 0.00 0.00 54.97 54.32 2wkf s GLU 4 Cb -0.17 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 2wkf s GLU 4 CO -0.07 -0.12 0.24 0.08 0.02 0.00 0.00 175.26 175.41 2wkf s VAL 5 N 1.35 5.27 -0.29 2.63 1.01 0.51 -0.70 120.40 130.18 2wkf s VAL 5 Ca 0.04 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 2wkf s VAL 5 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2wkf s VAL 5 CO 0.01 0.22 0.03 -0.63 0.00 0.00 0.00 175.10 174.73 2wkf s ILE 6 N 1.85 3.46 0.05 2.22 1.01 0.67 -0.11 121.20 130.34 2wkf s ILE 6 Ca 0.09 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2wkf s ILE 6 Cb -0.16 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2wkf s ILE 6 CO 0.11 0.03 0.10 0.28 0.00 0.00 0.00 174.94 175.45 2wkf s THR 7 N 1.39 0.14 -1.87 2.92 -1.32 -0.91 -0.03 115.64 115.97 2wkf s THR 7 Ca -0.00 -1.18 0.20 0.00 -1.21 0.00 0.00 61.69 59.49 2wkf s THR 7 Cb -0.18 -1.04 0.61 0.00 -1.51 0.00 0.00 72.50 70.38 2wkf s THR 7 CO 0.00 -0.65 1.51 -0.46 -2.21 0.00 0.00 174.62 172.80 2wkf n ASN 8 N 0.56 3.74 -4.62 8.08 0.23 -1.07 -0.74 115.26 121.44 2wkf n ASN 8 Ca -0.18 -2.06 -0.43 0.00 -0.53 0.00 0.00 54.58 51.38 2wkf n ASN 8 Cb 0.59 -0.47 -0.02 0.00 -2.08 0.00 0.00 39.78 37.80 2wkf n ASN 8 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2wkf s VAL 9 N -1.21 4.24 -0.39 3.53 1.01 -1.26 -4.79 120.40 121.53 2wkf s VAL 9 Ca 0.46 1.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 2wkf s VAL 9 Cb 0.25 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2wkf s VAL 9 CO 0.30 -0.69 1.45 0.21 0.00 0.00 0.00 175.10 176.36 2wkf s ASN 10 N 2.50 6.33 -0.02 3.32 2.47 -1.26 -4.96 114.94 123.31 2wkf s ASN 10 Ca 0.51 0.94 0.06 0.00 0.42 0.00 0.00 52.86 54.79 2wkf s ASN 10 Cb -0.12 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.13 2wkf s ASN 10 CO 0.25 -1.42 -0.19 -0.22 -3.72 0.00 0.00 177.10 171.80 2wkf s LEU 11 N 5.46 2.01 0.82 3.21 2.96 -1.26 -5.12 118.68 126.77 2wkf s LEU 11 Ca 0.63 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 2wkf s LEU 11 Cb -0.15 -1.02 0.09 0.00 0.50 0.00 0.00 46.19 45.61 2wkf s LEU 11 CO 0.32 0.22 1.16 -2.84 -1.32 0.00 0.00 176.35 173.89 2wkf s PRO 12 N -0.35 1.64 0.19 0.98 0.02 -1.26 -4.71 135.00 131.52 2wkf s PRO 12 Ca 0.05 1.58 -0.13 0.00 0.02 0.00 0.00 61.00 62.51 2wkf s PRO 12 Cb -0.09 -1.79 0.21 0.00 0.02 0.00 0.00 34.50 32.85 2wkf s PRO 12 CO 0.00 -2.17 1.69 -0.44 -0.33 0.00 0.00 177.00 175.74 2wkf h ASP 13 N -1.14 -0.18 -0.80 2.53 5.19 -1.99 0.02 116.42 120.04 2wkf h ASP 13 Ca -0.45 0.12 0.05 0.00 -0.62 0.00 0.00 57.03 56.13 2wkf h ASP 13 Cb 1.27 0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.93 2wkf h ASP 13 CO 0.46 -0.06 0.50 0.44 -3.12 0.00 0.00 179.24 177.46 2wkf h ASP 14 N 0.14 0.80 -0.40 6.45 5.19 -1.99 0.85 116.42 127.46 2wkf h ASP 14 Ca 0.26 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 2wkf h ASP 14 Cb 0.40 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2wkf h ASP 14 CO -0.42 0.53 -0.14 0.78 -3.12 0.00 0.00 179.24 176.88 2wkf h ASN 15 N 0.94 0.82 0.01 6.45 2.35 -1.74 -1.40 115.58 123.01 2wkf h ASN 15 Ca 0.33 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2wkf h ASN 15 Cb 0.09 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 2wkf h ASN 15 CO -0.14 1.01 -0.23 0.58 -1.65 0.00 0.00 177.43 177.00 2wkf h VAL 16 N 0.61 0.47 -0.54 2.81 2.07 -0.82 -1.08 116.25 119.77 2wkf h VAL 16 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2wkf h VAL 16 Cb 0.68 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2wkf h VAL 16 CO 0.05 0.00 0.29 1.56 0.02 0.00 0.00 177.57 179.49 2wkf h GLN 17 N -0.36 0.55 -0.33 1.57 1.08 -0.73 -0.47 115.11 116.42 2wkf h GLN 17 Ca 0.06 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 2wkf h GLN 17 Cb 0.44 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2wkf h GLN 17 CO -0.20 0.36 -0.27 0.66 -0.95 0.00 0.00 178.83 178.44 2wkf h SER 18 N 0.57 0.81 -0.24 1.46 4.64 -1.15 -1.21 113.55 118.42 2wkf h SER 18 Ca 0.23 -0.45 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2wkf h SER 18 Cb 0.11 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 2wkf h SER 18 CO -0.14 1.09 -0.04 0.74 -0.87 0.00 0.00 176.83 177.61 2wkf h THR 19 N 0.54 0.78 -0.80 2.95 2.02 -1.05 -0.42 112.91 116.93 2wkf h THR 19 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2wkf h THR 19 Cb 0.84 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 2wkf h THR 19 CO 0.07 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.35 2wkf h LEU 20 N 0.03 0.98 -0.53 2.58 3.38 -1.01 -0.93 115.31 119.82 2wkf h LEU 20 Ca 0.12 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wkf h LEU 20 Cb 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2wkf h LEU 20 CO -0.23 0.78 0.29 -1.28 0.09 0.00 0.00 178.44 178.09 2wkf h SER 21 N 1.10 0.44 -0.55 -0.43 0.87 -0.82 0.17 113.55 114.34 2wkf h SER 21 Ca 0.28 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 2wkf h SER 21 Cb 0.00 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2wkf h SER 21 CO -0.05 0.31 0.11 1.56 -0.53 0.00 0.00 176.83 178.23 2wkf h GLN 22 N 0.57 0.94 -0.52 2.24 4.20 -0.56 0.03 115.11 122.00 2wkf h GLN 22 Ca 0.22 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2wkf h GLN 22 Cb 0.09 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2wkf h GLN 22 CO -0.13 0.86 0.16 0.82 -0.67 0.00 0.00 178.83 179.86 2wkf h ILE 23 N 0.89 1.23 -0.80 2.54 2.04 -0.63 -1.45 117.51 121.32 2wkf h ILE 23 Ca 0.19 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.27 2wkf h ILE 23 Cb 0.37 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2wkf h ILE 23 CO 0.01 0.29 0.52 -0.33 0.00 0.00 0.00 178.15 178.64 2wkf h GLU 24 N 0.71 1.01 -0.96 2.37 5.08 -0.36 -1.30 114.58 121.13 2wkf h GLU 24 Ca 0.17 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2wkf h GLU 24 Cb 0.29 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2wkf h GLU 24 CO -0.00 0.67 0.63 -0.97 -1.00 0.00 0.00 179.01 178.34 2wkf h ASN 25 N 1.04 1.08 -0.27 1.42 -1.24 -0.59 -0.41 115.58 116.60 2wkf h ASN 25 Ca 0.31 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.24 2wkf h ASN 25 Cb -0.05 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.73 2wkf h ASN 25 CO -0.09 0.76 -0.06 0.00 -1.29 0.00 0.00 177.43 176.75 2wkf h ALA 26 N 1.37 0.38 -0.10 1.57 0.00 -0.93 0.11 119.26 121.66 2wkf h ALA 26 Ca 0.37 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2wkf h ALA 26 Cb -0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2wkf h ALA 26 CO -0.10 0.19 -0.27 0.82 0.00 0.00 0.00 179.25 179.89 2wkf h ILE 27 N 0.28 0.38 -0.33 0.00 2.04 -0.83 0.77 117.51 119.83 2wkf h ILE 27 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 2wkf h ILE 27 Cb 0.54 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2wkf h ILE 27 CO 0.03 0.00 -0.01 -1.28 0.00 0.00 0.00 178.15 176.89 2wkf h SER 28 N -0.35 -0.15 0.60 1.72 0.87 -0.98 0.49 113.55 115.74 2wkf h SER 28 Ca 0.09 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2wkf h SER 28 Cb 0.49 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2wkf h SER 28 CO -0.30 -0.04 -0.29 -0.78 -0.53 0.00 0.00 176.83 174.89 2wkf h ASP 29 N 0.08 -0.69 -0.43 6.23 1.82 0.08 0.12 116.42 123.64 2wkf h ASP 29 Ca 0.16 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2wkf h ASP 29 Cb 0.22 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 2wkf h ASP 29 CO -0.28 -0.41 0.27 0.58 -1.61 0.00 0.00 179.24 177.80 2wkf h VAL 30 N -0.99 1.12 -0.00 2.25 2.07 0.72 -2.99 116.25 118.44 2wkf h VAL 30 Ca -0.08 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2wkf h VAL 30 Cb 0.62 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2wkf h VAL 30 CO 0.14 0.12 -0.26 0.23 0.02 0.00 0.00 177.57 177.82 2wkf n MET 31 N -4.77 0.49 -3.03 1.57 2.81 0.17 -4.96 117.12 109.40 2wkf n MET 31 Ca 0.01 -0.24 -0.13 0.00 -1.81 0.00 0.00 57.70 55.53 2wkf n MET 31 Cb 0.04 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.11 2wkf n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wkf n GLY 32 N 1.38 -0.00 2.95 3.03 0.00 0.37 -5.01 105.19 107.91 2wkf n GLY 32 Ca 0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2wkf n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkf s LYS 33 N -5.35 1.31 0.62 1.61 1.02 -0.98 -5.07 119.74 112.90 2wkf s LYS 33 Ca 0.19 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 55.73 2wkf s LYS 33 Cb -0.08 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 2wkf s LYS 33 CO 0.45 -0.05 1.25 -0.35 -0.92 0.00 0.00 175.35 175.73 2wkf n PRO 34 N 4.05 1.18 0.20 -1.68 -0.04 -1.26 -4.20 135.00 133.25 2wkf n PRO 34 Ca -0.22 0.46 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2wkf n PRO 34 Cb 0.51 -2.48 0.50 0.00 -0.04 0.00 0.00 33.50 31.98 2wkf n PRO 34 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wkf h LEU 35 N 0.68 0.06 -0.51 1.53 5.85 -1.97 -1.96 115.31 119.00 2wkf h LEU 35 Ca -0.51 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2wkf h LEU 35 Cb 1.34 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2wkf h LEU 35 CO 0.53 0.20 0.16 0.61 -0.34 0.00 0.00 178.44 179.60 2wkf n GLY 36 N -1.08 -0.53 1.07 3.75 0.00 -1.26 -1.21 105.19 105.93 2wkf n GLY 36 Ca -0.02 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2wkf n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wkf n TYR 37 N -1.73 0.58 -4.35 1.61 4.01 -0.74 -4.99 117.16 111.56 2wkf n TYR 37 Ca -0.01 -0.33 -0.34 0.00 -0.16 0.00 0.00 57.90 57.06 2wkf n TYR 37 Cb 0.17 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 2wkf n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2wkf s ILE 38 N -1.24 3.54 -0.12 -0.72 1.01 -0.35 -0.89 121.20 122.42 2wkf s ILE 38 Ca 0.37 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 2wkf s ILE 38 Cb 0.21 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2wkf s ILE 38 CO 0.28 0.48 0.03 -0.32 0.00 0.00 0.00 174.94 175.41 2wkf s MET 39 N 0.70 3.37 0.13 2.79 1.75 0.27 -4.97 119.30 123.34 2wkf s MET 39 Ca -0.03 -0.37 -0.00 0.00 -1.25 0.00 0.00 55.69 54.03 2wkf s MET 39 Cb -0.15 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 34.52 2wkf s MET 39 CO 0.02 0.55 0.03 -1.54 -0.65 0.00 0.00 175.02 173.42 2wkf s SER 40 N -0.43 0.61 -0.00 1.11 1.04 -1.26 -0.90 113.70 113.87 2wkf s SER 40 Ca 0.09 -1.17 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 2wkf s SER 40 Cb -0.12 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.30 2wkf s SER 40 CO 0.02 -0.66 0.67 0.21 0.98 0.00 0.00 173.24 174.46 2wkf s ASN 41 N -3.07 -0.63 -0.20 7.02 2.47 -0.36 -4.94 114.94 115.23 2wkf s ASN 41 Ca 0.22 0.54 0.00 0.00 0.42 0.00 0.00 52.86 54.04 2wkf s ASN 41 Cb 0.07 0.55 0.05 0.00 -1.45 0.00 0.00 41.25 40.47 2wkf s ASN 41 CO 0.01 -0.69 -0.07 -0.47 -3.72 0.00 0.00 177.10 172.16 2wkf s TYR 42 N -1.81 2.10 -0.36 0.43 5.04 -1.26 -0.37 117.35 121.13 2wkf s TYR 42 Ca -0.08 -1.43 -0.04 0.00 -2.44 0.00 0.00 57.07 53.08 2wkf s TYR 42 Cb -0.00 -1.48 0.07 0.00 0.35 0.00 0.00 41.96 40.89 2wkf s TYR 42 CO 0.04 -0.70 0.12 0.34 -1.34 0.00 0.00 175.55 174.01 2wkf s ASP 43 N 1.50 5.18 -0.46 4.32 -1.08 0.84 -4.98 116.67 121.99 2wkf s ASP 43 Ca -0.02 -1.52 -0.29 0.00 -0.52 0.00 0.00 52.55 50.21 2wkf s ASP 43 Cb -0.17 -1.81 0.02 0.00 -1.46 0.00 0.00 42.92 39.50 2wkf s ASP 43 CO -0.07 -0.40 1.27 -0.47 0.52 0.00 0.00 175.17 176.02 2wkf s TYR 44 N 1.27 2.60 -0.62 -5.34 5.04 -1.26 -2.13 117.35 116.90 2wkf s TYR 44 Ca 0.01 0.67 0.05 0.00 -2.44 0.00 0.00 57.07 55.35 2wkf s TYR 44 Cb -0.21 -4.39 0.15 0.00 0.35 0.00 0.00 41.96 37.86 2wkf s TYR 44 CO -0.01 -1.63 0.39 -0.65 -1.34 0.00 0.00 175.55 172.31 2wkf s GLN 45 N 4.75 2.25 0.58 4.97 -1.52 0.08 -4.98 119.66 125.80 2wkf s GLN 45 Ca 0.54 -3.03 0.27 0.00 -1.95 0.00 0.00 55.36 51.18 2wkf s GLN 45 Cb -0.10 -3.37 1.70 0.00 -0.22 0.00 0.00 33.01 31.01 2wkf s GLN 45 CO 0.32 -1.21 2.21 1.57 -0.25 0.00 0.00 175.29 177.93 2wkf h LYS 46 N 5.87 0.00 -0.15 2.91 2.10 -1.87 0.22 116.57 125.67 2wkf h LYS 46 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2wkf h LYS 46 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2wkf h LYS 46 CO 0.71 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.25 2wkf n ASN 47 N -3.97 1.61 -4.73 7.07 3.02 -1.26 -4.90 115.26 112.10 2wkf n ASN 47 Ca -0.02 -1.68 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 2wkf n ASN 47 Cb 0.13 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2wkf n ASN 47 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wkf s LEU 48 N -1.62 4.37 0.07 3.41 2.96 0.79 -4.99 118.68 123.66 2wkf s LEU 48 Ca 0.33 2.80 0.08 0.00 -0.22 0.00 0.00 54.13 57.11 2wkf s LEU 48 Cb 0.18 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 2wkf s LEU 48 CO 0.27 -0.90 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.06 2wkf s ARG 49 N 0.71 1.29 -0.01 1.98 0.52 -1.26 -4.56 118.95 117.62 2wkf s ARG 49 Ca 0.70 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.87 2wkf s ARG 49 Cb -0.47 -1.47 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2wkf s ARG 49 CO 0.36 0.36 0.02 0.12 0.02 0.00 0.00 175.30 176.18 2wkf s PHE 50 N -0.94 -0.02 -1.42 -0.53 5.36 -0.47 -4.88 117.98 115.08 2wkf s PHE 50 Ca 0.07 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 2wkf s PHE 50 Cb -0.09 0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 2wkf s PHE 50 CO 0.03 -0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 2wkf n GLY 51 N 3.09 0.50 2.02 13.12 0.00 -1.26 -2.50 105.19 120.16 2wkf n GLY 51 Ca -0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 2wkf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkf n GLY 52 N -1.06 0.45 2.88 -0.02 0.00 -1.26 -5.04 105.19 101.14 2wkf n GLY 52 Ca -0.17 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2wkf n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wkf s SER 53 N -2.54 0.44 -0.07 1.61 0.15 -1.04 -5.02 113.70 107.22 2wkf s SER 53 Ca 0.00 -0.05 0.07 0.00 0.70 0.00 0.00 55.95 56.67 2wkf s SER 53 Cb 0.00 -0.14 0.34 0.00 -1.71 0.00 0.00 66.02 64.51 2wkf s SER 53 CO 0.00 -0.02 1.11 -3.20 1.20 0.00 0.00 173.24 172.33 2wkf n ASN 54 N 3.51 2.65 -4.80 5.45 5.15 -1.26 -1.37 115.26 124.59 2wkf n ASN 54 Ca -0.19 -2.28 -0.30 0.00 -0.60 0.00 0.00 54.58 51.21 2wkf n ASN 54 Cb 0.55 -0.47 0.10 0.00 -0.53 0.00 0.00 39.78 39.43 2wkf n ASN 54 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wkf s GLU 55 N -1.71 1.95 0.24 1.20 0.41 -1.26 -4.89 118.70 114.64 2wkf s GLU 55 Ca 0.23 0.62 -0.31 0.00 -0.41 0.00 0.00 54.97 55.10 2wkf s GLU 55 Cb 0.16 -1.90 -0.14 0.00 -1.78 0.00 0.00 34.13 30.47 2wkf s GLU 55 CO 0.09 -1.71 1.32 0.00 -0.49 0.00 0.00 175.26 174.48 2wkf n ALA 56 N -3.49 0.68 -3.57 5.21 0.00 -1.26 -4.81 120.51 113.27 2wkf n ALA 56 Ca 0.07 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.78 2wkf n ALA 56 Cb 0.56 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 2wkf n ALA 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wkf s TYR 57 N -0.24 -0.72 -0.09 0.00 5.04 -1.26 -4.79 117.35 115.29 2wkf s TYR 57 Ca 0.67 1.74 0.02 0.00 -2.44 0.00 0.00 57.07 57.06 2wkf s TYR 57 Cb -0.68 0.26 0.02 0.00 0.35 0.00 0.00 41.96 41.90 2wkf s TYR 57 CO 0.52 -0.37 -0.12 0.00 -1.34 0.00 0.00 175.55 174.24 2wkf s PHE 59 N 0.95 3.11 -0.20 0.00 5.36 0.96 -1.46 117.98 126.70 2wkf s PHE 59 Ca -0.09 -0.53 -0.03 0.00 -0.96 0.00 0.00 56.93 55.32 2wkf s PHE 59 Cb -0.15 -2.27 -0.01 0.00 -0.34 0.00 0.00 43.02 40.26 2wkf s PHE 59 CO 0.00 -0.41 -0.07 0.08 -1.46 0.00 0.00 175.22 173.36 2wkf s VAL 60 N 1.60 3.23 -0.23 3.12 1.01 0.96 -0.24 120.40 129.85 2wkf s VAL 60 Ca 0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2wkf s VAL 60 Cb -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2wkf s VAL 60 CO 0.04 0.45 -0.03 -0.60 0.00 0.00 0.00 175.10 174.96 2wkf s ARG 61 N 1.29 3.36 -0.27 2.72 3.52 0.12 0.33 118.95 130.02 2wkf s ARG 61 Ca 0.03 -0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 2wkf s ARG 61 Cb -0.14 -3.05 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 2wkf s ARG 61 CO -0.03 -0.22 -0.02 0.42 -0.81 0.00 0.00 175.30 174.64 2wkf s ILE 62 N 1.48 3.13 -0.20 4.11 1.01 0.54 -0.68 121.20 130.59 2wkf s ILE 62 Ca 0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2wkf s ILE 62 Cb -0.15 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 2wkf s ILE 62 CO -0.03 0.11 -0.10 -0.89 0.00 0.00 0.00 174.94 174.03 2wkf s THR 63 N 1.35 2.96 0.39 2.92 2.01 0.38 -1.21 115.64 124.44 2wkf s THR 63 Ca -0.01 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2wkf s THR 63 Cb -0.17 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 2wkf s THR 63 CO -0.02 0.47 0.14 -1.54 -0.69 0.00 0.00 174.62 172.98 2wkf n SER 64 N 4.56 1.23 -3.18 3.53 3.41 -0.86 0.02 113.62 122.33 2wkf n SER 64 Ca -0.19 -3.09 -0.22 0.00 -0.26 0.00 0.00 58.87 55.11 2wkf n SER 64 Cb 0.51 0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 65.40 2wkf n SER 64 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2wkf n ILE 65 N -0.88 0.47 0.00 -1.33 -5.35 -1.26 -4.17 119.36 106.83 2wkf n ILE 65 Ca -0.06 -4.64 0.00 0.00 -0.27 0.00 0.00 62.75 57.78 2wkf n ILE 65 Cb 0.59 -1.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.31 2wkf n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wkf n GLY 66 N 0.61 2.99 2.59 3.28 0.00 -1.26 -5.00 105.19 108.40 2wkf n GLY 66 Ca 0.25 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 2wkf n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkf n GLY 67 N -0.69 1.52 0.12 -0.02 0.00 -1.26 -4.90 105.19 99.96 2wkf n GLY 67 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2wkf n GLY 67 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wkf n ILE 68 N -2.41 1.57 -4.53 -0.61 3.06 -1.26 -4.98 119.36 110.21 2wkf n ILE 68 Ca -0.15 -0.30 -0.31 0.00 -2.50 0.00 0.00 62.75 59.48 2wkf n ILE 68 Cb 0.58 -1.87 -0.17 0.00 0.54 0.00 0.00 39.64 38.72 2wkf n ILE 68 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 2wkf s ASN 69 N -7.05 2.89 0.16 9.51 3.84 -1.26 -5.01 114.94 118.02 2wkf s ASN 69 Ca -0.31 -0.55 -0.11 0.00 0.21 0.00 0.00 52.86 52.10 2wkf s ASN 69 Cb 0.09 -1.33 0.04 0.00 -0.55 0.00 0.00 41.25 39.50 2wkf s ASN 69 CO 0.59 0.05 1.62 0.08 -2.79 0.00 0.00 177.10 176.65 2wkf h ARG 70 N 7.44 0.95 0.02 0.43 -0.00 -1.98 0.84 114.38 122.08 2wkf h ARG 70 Ca -0.33 -0.29 -0.21 0.00 -0.00 0.00 0.00 59.98 59.15 2wkf h ARG 70 Cb 1.18 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.04 2wkf h ARG 70 CO 0.54 0.95 -0.93 0.66 -0.00 0.00 0.00 179.97 181.18 2wkf h SER 71 N 0.83 0.20 -0.13 0.08 4.64 -1.98 0.19 113.55 117.38 2wkf h SER 71 Ca 0.16 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2wkf h SER 71 Cb 0.51 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2wkf h SER 71 CO 0.02 1.02 -0.03 0.78 -0.87 0.00 0.00 176.83 177.76 2wkf h ASN 72 N 0.07 0.25 -0.91 4.97 2.35 -1.94 -1.37 115.58 119.00 2wkf h ASN 72 Ca -0.04 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.36 2wkf h ASN 72 Cb 1.60 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 39.85 2wkf h ASN 72 CO 0.14 0.55 0.60 0.78 -1.65 0.00 0.00 177.43 177.85 2wkf h ASN 73 N -0.06 1.03 -0.17 5.81 2.35 -0.71 0.13 115.58 123.96 2wkf h ASN 73 Ca 0.03 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.58 2wkf h ASN 73 Cb 0.44 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.57 2wkf h ASN 73 CO 0.01 0.73 -0.60 -1.28 -1.65 0.00 0.00 177.43 174.64 2wkf h SER 74 N 1.21 0.83 -0.28 5.81 0.87 -0.63 -1.59 113.55 119.76 2wkf h SER 74 Ca 0.34 -0.60 -0.14 0.00 -1.23 0.00 0.00 61.79 60.16 2wkf h SER 74 Cb -0.10 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.61 2wkf h SER 74 CO -0.08 1.29 -0.37 0.00 -0.53 0.00 0.00 176.83 177.14 2wkf h ALA 75 N 0.56 0.43 0.26 6.23 0.00 -1.03 -1.53 119.26 124.18 2wkf h ALA 75 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wkf h ALA 75 Cb 1.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2wkf h ALA 75 CO 0.13 0.51 -0.28 1.25 0.00 0.00 0.00 179.25 180.85 2wkf h LEU 76 N 0.50 -0.76 -0.91 0.00 5.85 -0.73 -0.56 115.31 118.70 2wkf h LEU 76 Ca 0.03 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.00 2wkf h LEU 76 Cb 0.95 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 2wkf h LEU 76 CO 0.09 -0.40 0.48 0.00 -0.34 0.00 0.00 178.44 178.27 2wkf h ALA 77 N 0.03 1.44 -0.22 1.25 0.00 -1.25 0.12 119.26 120.63 2wkf h ALA 77 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wkf h ALA 77 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2wkf h ALA 77 CO -0.07 -0.13 0.12 0.22 0.00 0.00 0.00 179.25 179.39 2wkf h ASP 78 N 0.62 0.28 -0.43 0.00 3.58 -0.82 0.12 116.42 119.76 2wkf h ASP 78 Ca 0.52 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.88 2wkf h ASP 78 Cb 0.82 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 2wkf h ASP 78 CO -0.40 0.27 0.23 1.56 -2.88 0.00 0.00 179.24 178.02 2wkf h GLN 79 N 0.26 0.61 -0.41 0.28 1.08 0.36 -0.98 115.11 116.30 2wkf h GLN 79 Ca 0.08 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2wkf h GLN 79 Cb 0.06 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2wkf h GLN 79 CO -0.01 0.50 0.00 0.82 -0.95 0.00 0.00 178.83 179.19 2wkf h ILE 80 N 0.56 1.26 -0.43 2.54 2.04 -0.65 0.15 117.51 122.99 2wkf h ILE 80 Ca 0.15 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.04 2wkf h ILE 80 Cb 0.08 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2wkf h ILE 80 CO -0.02 0.35 0.19 0.74 0.00 0.00 0.00 178.15 179.40 2wkf h THR 81 N 0.56 0.93 -0.33 -0.27 2.02 -0.52 0.17 112.91 115.47 2wkf h THR 81 Ca 0.12 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2wkf h THR 81 Cb 0.48 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2wkf h THR 81 CO 0.02 0.07 0.16 0.11 0.37 0.00 0.00 175.52 176.25 2wkf h LYS 82 N 0.38 0.47 -0.14 6.66 1.57 -0.87 0.19 116.57 124.83 2wkf h LYS 82 Ca 0.19 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2wkf h LYS 82 Cb 0.14 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2wkf h LYS 82 CO -0.16 0.42 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.02 2wkf h LEU 83 N 0.40 -0.17 -0.16 2.94 4.07 0.16 -0.15 115.31 122.40 2wkf h LEU 83 Ca 0.11 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.13 2wkf h LEU 83 Cb 0.10 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2wkf h LEU 83 CO -0.02 -0.07 0.08 -0.07 -1.08 0.00 0.00 178.44 177.29 2wkf h LEU 84 N -0.03 0.13 -0.82 1.67 3.38 -0.44 -1.76 115.31 117.45 2wkf h LEU 84 Ca 0.07 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2wkf h LEU 84 Cb 0.13 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 2wkf h LEU 84 CO -0.16 0.10 0.40 0.58 0.09 0.00 0.00 178.44 179.45 2wkf h VAL 85 N 0.18 0.72 0.00 1.22 2.07 -0.48 -0.68 116.25 119.28 2wkf h VAL 85 Ca 0.06 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2wkf h VAL 85 Cb 0.00 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2wkf h VAL 85 CO -0.04 0.10 -0.38 -1.28 0.02 0.00 0.00 177.57 176.00 2wkf h SER 86 N 0.57 0.00 0.00 0.57 0.87 -0.68 -3.33 113.55 111.55 2wkf h SER 86 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2wkf h SER 86 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2wkf h SER 86 CO -0.37 0.38 -1.50 0.59 -0.53 0.00 0.00 176.83 175.40 2wkf n ASN 87 N -3.43 1.14 -0.01 6.23 3.02 -0.69 -4.85 115.26 116.67 2wkf n ASN 87 Ca 0.00 -0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.39 2wkf n ASN 87 Cb 0.55 1.57 -0.08 0.00 -0.61 0.00 0.00 39.78 41.21 2wkf n ASN 87 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wkf n LEU 88 N -1.90 0.00 -0.19 3.41 4.32 -0.30 -5.03 117.00 117.31 2wkf n LEU 88 Ca -0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.95 2wkf n LEU 88 Cb 0.38 0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.19 2wkf n LEU 88 CO 0.34 0.01 -0.02 -3.20 -1.22 0.00 0.00 177.39 173.30 2wkf n ASN 89 N -1.87 -2.51 -4.59 -1.43 5.15 -1.26 -5.02 115.26 103.74 2wkf n ASN 89 Ca -0.03 0.03 -0.34 0.00 -0.60 0.00 0.00 54.58 53.65 2wkf n ASN 89 Cb 0.29 -0.93 -0.11 0.00 -0.53 0.00 0.00 39.78 38.49 2wkf n ASN 89 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wkf s VAL 90 N -2.09 3.71 0.24 3.44 0.11 -1.26 -4.99 120.40 119.56 2wkf s VAL 90 Ca 0.00 -0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 2wkf s VAL 90 Cb 0.00 -2.53 -0.09 0.00 -1.53 0.00 0.00 36.38 32.23 2wkf s VAL 90 CO 0.00 0.57 1.04 -0.54 -3.33 0.00 0.00 175.10 172.85 2wkf s LYS 91 N -0.89 4.71 0.29 1.54 -0.14 -1.26 -4.63 119.74 119.36 2wkf s LYS 91 Ca 0.13 1.67 0.04 0.00 -1.36 0.00 0.00 55.97 56.45 2wkf s LYS 91 Cb -0.11 -3.24 0.76 0.00 -1.68 0.00 0.00 37.83 33.56 2wkf s LYS 91 CO 0.02 0.29 1.67 1.03 -0.76 0.00 0.00 175.35 177.60 2wkf h SER 92 N 4.21 0.19 0.14 2.83 0.87 -1.96 0.26 113.55 120.10 2wkf h SER 92 Ca -0.46 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2wkf h SER 92 Cb 1.21 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2wkf h SER 92 CO 0.68 -0.09 0.00 0.08 -0.53 0.00 0.00 176.83 176.97 2wkf h ARG 93 N 0.29 0.00 -0.80 2.24 0.11 -2.02 -1.66 114.38 112.54 2wkf h ARG 93 Ca 0.57 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.29 2wkf h ARG 93 Cb 1.15 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 32.02 2wkf h ARG 93 CO -0.60 0.00 0.41 0.54 0.10 0.00 0.00 179.97 180.42 2wkf n ARG 94 N -2.68 2.67 -4.94 0.08 5.12 0.90 -4.87 116.66 112.94 2wkf n ARG 94 Ca -0.02 -3.06 -0.28 0.00 -1.93 0.00 0.00 57.85 52.56 2wkf n ARG 94 Cb 0.09 -2.13 -0.17 0.00 -1.16 0.00 0.00 32.46 29.09 2wkf n ARG 94 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2wkf s ILE 95 N -3.19 1.63 -0.09 0.55 1.01 -0.63 -0.71 121.20 119.77 2wkf s ILE 95 Ca 0.54 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2wkf s ILE 95 Cb 0.45 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2wkf s ILE 95 CO 0.10 0.46 -0.15 -0.47 0.00 0.00 0.00 174.94 174.88 2wkf s TYR 96 N 0.35 1.86 -0.19 3.97 5.04 -0.54 -5.00 117.35 122.84 2wkf s TYR 96 Ca -0.13 -0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 53.66 2wkf s TYR 96 Cb -0.16 -1.34 -0.01 0.00 0.35 0.00 0.00 41.96 40.80 2wkf s TYR 96 CO 0.05 -0.40 -0.06 0.08 -1.34 0.00 0.00 175.55 173.89 2wkf s VAL 97 N 0.82 3.45 -0.01 3.14 1.01 -1.26 -0.03 120.40 127.52 2wkf s VAL 97 Ca -0.11 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2wkf s VAL 97 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2wkf s VAL 97 CO 0.01 0.46 -0.19 -0.70 0.00 0.00 0.00 175.10 174.68 2wkf s GLU 98 N 1.02 2.22 -0.02 2.72 2.12 0.15 -4.96 118.70 121.95 2wkf s GLU 98 Ca 0.00 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.46 2wkf s GLU 98 Cb -0.15 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 2wkf s GLU 98 CO 0.00 0.57 0.02 -0.06 -0.54 0.00 0.00 175.26 175.26 2wkf s PHE 99 N -0.77 3.16 0.33 5.30 0.08 -1.26 -0.34 117.98 124.48 2wkf s PHE 99 Ca 0.12 0.15 -0.10 0.00 0.12 0.00 0.00 56.93 57.22 2wkf s PHE 99 Cb -0.10 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2wkf s PHE 99 CO 0.02 0.49 0.59 1.03 -0.10 0.00 0.00 175.22 177.24 2wkf s ARG 100 N -1.44 1.93 0.00 0.44 3.00 -0.35 -4.95 118.95 117.58 2wkf s ARG 100 Ca 0.19 -1.51 0.00 0.00 0.00 0.00 0.00 55.73 54.40 2wkf s ARG 100 Cb -0.12 0.51 0.00 0.00 0.00 0.00 0.00 34.95 35.35 2wkf s ARG 100 CO 0.09 -0.84 0.00 -0.40 0.00 0.00 0.00 175.30 174.15