#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aro s LYS 34 N 0.00 3.92 0.45 -0.14 1.02 -1.26 -5.05 119.74 118.68 2aro s LYS 34 Ca 0.00 0.44 -0.25 0.00 0.02 0.00 0.00 55.97 56.18 2aro s LYS 34 Cb 0.00 -2.75 -0.08 0.00 -0.52 0.00 0.00 37.83 34.49 2aro s LYS 34 CO 0.00 0.37 1.35 -2.00 -0.92 0.00 0.00 175.35 174.14 2aro s GLU 35 N -2.45 3.70 -0.17 1.68 2.56 -1.26 -5.02 118.70 117.74 2aro s GLU 35 Ca 0.44 2.24 -0.05 0.00 0.00 0.00 0.00 54.97 57.60 2aro s GLU 35 Cb -0.13 -2.61 -0.03 0.00 2.00 0.00 0.00 34.13 33.36 2aro s GLU 35 CO 0.20 -0.74 0.01 0.45 -0.56 0.00 0.00 175.26 174.62 2aro s SER 36 N -0.73 5.15 -0.05 -1.70 0.15 -1.26 -4.90 113.70 110.36 2aro s SER 36 Ca 0.61 -0.05 0.09 0.00 0.70 0.00 0.00 55.95 57.30 2aro s SER 36 Cb -0.40 -1.87 0.23 0.00 -1.71 0.00 0.00 66.02 62.28 2aro s SER 36 CO 0.50 0.16 1.17 -1.22 1.20 0.00 0.00 173.24 175.06 2aro n TYR 37 N 3.63 0.31 -0.31 3.44 4.01 -1.26 -4.85 117.16 122.12 2aro n TYR 37 Ca -0.17 -0.63 0.06 0.00 -0.16 0.00 0.00 57.90 57.00 2aro n TYR 37 Cb 0.52 -0.10 0.15 0.00 -0.31 0.00 0.00 39.34 39.61 2aro n TYR 37 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2aro h SER 38 N 0.99 -0.71 -0.86 7.72 0.02 -1.93 0.15 113.55 118.92 2aro h SER 38 Ca 0.00 0.26 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2aro h SER 38 Cb 0.79 0.52 -0.06 0.00 0.14 0.00 0.00 62.40 63.79 2aro h SER 38 CO 0.03 -0.29 0.54 0.40 -1.14 0.00 0.00 176.83 176.37 2aro h ILE 39 N 0.01 1.05 0.04 3.27 1.08 -1.99 -1.43 117.51 119.55 2aro h ILE 39 Ca 0.45 -0.34 -0.13 0.00 -0.39 0.00 0.00 64.86 64.45 2aro h ILE 39 Cb 0.76 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2aro h ILE 39 CO -0.89 0.18 -0.54 1.88 -0.69 0.00 0.00 178.15 178.09 2aro h TYR 40 N 0.99 0.47 -0.80 1.37 0.05 -1.19 -2.10 116.97 115.75 2aro h TYR 40 Ca 0.37 -0.28 0.14 0.00 0.05 0.00 0.00 58.73 59.00 2aro h TYR 40 Cb 0.15 -0.04 -0.09 0.00 1.01 0.00 0.00 36.73 37.76 2aro h TYR 40 CO -0.03 1.14 0.38 0.28 -1.05 0.00 0.00 178.16 178.88 2aro h VAL 41 N -0.34 0.73 -0.33 -2.88 2.07 -0.97 -0.85 116.25 113.68 2aro h VAL 41 Ca -0.08 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2aro h VAL 41 Cb 1.32 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2aro h VAL 41 CO 0.10 0.10 -0.05 0.22 0.02 0.00 0.00 177.57 177.96 2aro h TYR 42 N 0.57 0.70 -0.71 1.57 5.03 -1.20 0.51 116.97 123.43 2aro h TYR 42 Ca 0.43 -0.14 0.06 0.00 2.58 0.00 0.00 58.73 61.66 2aro h TYR 42 Cb 0.60 -0.17 -0.06 0.00 1.55 0.00 0.00 36.73 38.65 2aro h TYR 42 CO -0.12 0.78 0.41 0.87 -1.32 0.00 0.00 178.16 178.78 2aro h LYS 43 N 0.41 0.72 -0.55 1.82 1.57 -0.85 -1.23 116.57 118.47 2aro h LYS 43 Ca 0.09 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2aro h LYS 43 Cb 0.54 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2aro h LYS 43 CO 0.03 0.48 0.05 0.28 -0.57 0.00 0.00 179.45 179.72 2aro h VAL 44 N 0.75 1.26 -0.77 0.50 2.07 -0.89 -2.80 116.25 116.36 2aro h VAL 44 Ca 0.32 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.90 2aro h VAL 44 Cb 0.19 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2aro h VAL 44 CO -0.18 0.37 0.43 0.25 0.02 0.00 0.00 177.57 178.45 2aro h LEU 45 N 0.81 0.61 -1.52 2.57 5.85 -0.57 -1.96 115.31 121.11 2aro h LEU 45 Ca 0.16 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2aro h LEU 45 Cb 0.46 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2aro h LEU 45 CO 0.02 0.36 -0.23 0.11 -0.34 0.00 0.00 178.44 178.35 2aro h LYS 46 N 0.74 0.00 -0.03 1.25 1.57 -0.98 -0.62 116.57 118.49 2aro h LYS 46 Ca 0.37 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.01 2aro h LYS 46 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 2aro h LYS 46 CO -0.24 0.23 -0.54 1.96 -0.57 0.00 0.00 179.45 180.29 2aro h GLN 47 N 0.00 0.43 0.07 3.15 4.20 -1.22 -3.18 115.11 118.56 2aro h GLN 47 Ca -0.00 -0.41 -0.29 0.00 0.06 0.00 0.00 58.65 58.00 2aro h GLN 47 Cb 0.53 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2aro h GLN 47 CO 0.03 1.07 -1.51 -0.39 -0.67 0.00 0.00 178.83 177.36 2aro h VAL 48 N -0.06 1.15 -2.49 -0.54 -1.51 -1.21 -3.41 116.25 108.19 2aro h VAL 48 Ca -0.06 -2.85 -0.59 0.00 -1.23 0.00 0.00 66.70 61.97 2aro h VAL 48 Cb 1.23 2.69 -0.39 0.00 -2.13 0.00 0.00 31.29 32.69 2aro h VAL 48 CO 0.11 0.78 -0.91 -1.00 -1.23 0.00 0.00 177.57 175.31 2aro s HIS 49 N -2.63 1.29 0.54 5.19 3.76 -0.26 -5.03 115.29 118.16 2aro s HIS 49 Ca -0.07 -2.32 0.24 0.00 -0.15 0.00 0.00 55.06 52.76 2aro s HIS 49 Cb 0.08 -1.12 1.42 0.00 1.11 0.00 0.00 32.58 34.07 2aro s HIS 49 CO 0.84 -0.80 2.05 -1.35 -0.85 0.00 0.00 174.74 174.62 2aro h PRO 50 N 5.87 0.00 -0.50 8.40 0.11 -1.68 -2.72 132.00 141.48 2aro h PRO 50 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2aro h PRO 50 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2aro h PRO 50 CO 0.39 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.93 2aro n ASP 51 N -4.28 4.42 -4.51 -2.05 8.00 -1.26 -4.90 116.55 111.97 2aro n ASP 51 Ca 0.05 -2.59 -0.34 0.00 0.71 0.00 0.00 54.79 52.63 2aro n ASP 51 Cb 0.44 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 2aro n ASP 51 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2aro s THR 52 N -2.09 3.59 0.11 -3.53 2.01 -1.03 -5.13 115.64 109.58 2aro s THR 52 Ca 0.45 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.98 2aro s THR 52 Cb 0.31 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 70.34 2aro s THR 52 CO 0.18 0.55 0.15 0.61 -0.69 0.00 0.00 174.62 175.43 2aro n GLY 53 N 2.84 1.91 3.00 4.40 0.00 -1.26 -4.86 105.19 111.21 2aro n GLY 53 Ca -0.18 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 2aro n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2aro s ILE 54 N 0.30 -0.02 0.80 -0.61 2.07 -1.26 -5.15 121.20 117.32 2aro s ILE 54 Ca 0.12 0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.33 2aro s ILE 54 Cb -0.01 -0.26 0.07 0.00 0.13 0.00 0.00 42.46 42.39 2aro s ILE 54 CO 0.07 0.03 1.09 -0.94 -1.91 0.00 0.00 174.94 173.28 2aro s SER 55 N 0.64 4.40 0.40 4.50 1.04 -1.26 -4.83 113.70 118.58 2aro s SER 55 Ca -0.05 1.56 0.15 0.00 0.48 0.00 0.00 55.95 58.10 2aro s SER 55 Cb -0.06 -2.30 0.85 0.00 0.10 0.00 0.00 66.02 64.60 2aro s SER 55 CO -0.03 -2.06 1.88 -1.28 0.98 0.00 0.00 173.24 172.72 2aro h SER 56 N -1.15 0.00 -0.16 7.02 0.87 -2.01 0.74 113.55 118.86 2aro h SER 56 Ca -0.46 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 59.94 2aro h SER 56 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2aro h SER 56 CO 0.55 0.31 -0.45 0.11 -0.53 0.00 0.00 176.83 176.82 2aro h LYS 57 N 0.00 0.72 -0.45 2.24 1.57 -2.00 -1.63 116.57 117.03 2aro h LYS 57 Ca -0.00 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.24 2aro h LYS 57 Cb 0.58 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2aro h LYS 57 CO 0.04 1.02 -0.24 0.00 -0.57 0.00 0.00 179.45 179.71 2aro h ALA 58 N 0.91 0.73 -0.96 3.86 0.00 -1.85 -2.49 119.26 119.47 2aro h ALA 58 Ca 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2aro h ALA 58 Cb 1.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2aro h ALA 58 CO 0.10 0.66 0.63 1.98 0.00 0.00 0.00 179.25 182.62 2aro h MET 59 N 0.79 1.20 -0.98 0.00 1.85 -0.75 -1.58 114.93 115.46 2aro h MET 59 Ca 0.10 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.15 2aro h MET 59 Cb 0.80 -0.27 -0.06 0.00 0.43 0.00 0.00 31.60 32.50 2aro h MET 59 CO 0.07 0.80 0.64 0.78 -0.40 0.00 0.00 176.91 178.80 2aro h GLY 60 N 1.24 1.41 0.93 1.39 0.00 -1.08 -0.95 103.07 106.01 2aro h GLY 60 Ca 0.37 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2aro h GLY 60 CO -0.11 0.43 0.13 -2.22 0.00 0.00 0.00 176.54 174.78 2aro h ILE 61 N 1.25 1.20 -0.57 2.60 2.04 -0.97 -2.40 117.51 120.67 2aro h ILE 61 Ca 0.38 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2aro h ILE 61 Cb -0.02 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2aro h ILE 61 CO -0.11 0.23 0.29 0.24 0.00 0.00 0.00 178.15 178.80 2aro h MET 62 N 0.47 0.81 -0.54 2.37 2.86 -1.08 0.08 114.93 119.90 2aro h MET 62 Ca 0.13 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2aro h MET 62 Cb 0.23 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2aro h MET 62 CO -0.01 0.64 0.29 -0.91 1.06 0.00 0.00 176.91 177.99 2aro h ASN 63 N 0.77 0.44 -0.92 1.22 2.35 -1.14 -1.04 115.58 117.27 2aro h ASN 63 Ca 0.20 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2aro h ASN 63 Cb 0.08 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 2aro h ASN 63 CO -0.03 0.30 0.60 0.28 -1.65 0.00 0.00 177.43 176.93 2aro h SER 64 N 0.57 1.06 0.38 5.81 0.02 -1.06 -2.25 113.55 118.08 2aro h SER 64 Ca 0.23 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2aro h SER 64 Cb 0.11 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2aro h SER 64 CO -0.15 0.77 -0.18 0.15 -1.14 0.00 0.00 176.83 176.29 2aro h PHE 65 N 1.25 -0.47 -0.63 3.45 3.57 -0.59 -0.13 116.94 123.39 2aro h PHE 65 Ca 0.33 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.83 2aro h PHE 65 Cb -0.13 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2aro h PHE 65 CO -0.01 -0.28 0.42 0.28 -2.23 0.00 0.00 178.31 176.49 2aro h VAL 66 N -0.52 1.16 -0.35 1.41 2.07 -1.09 -0.90 116.25 118.04 2aro h VAL 66 Ca -0.05 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2aro h VAL 66 Cb 0.40 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2aro h VAL 66 CO 0.09 0.16 0.23 0.78 0.02 0.00 0.00 177.57 178.84 2aro h ASN 67 N 0.86 0.40 0.70 0.57 2.35 -1.37 0.01 115.58 119.10 2aro h ASN 67 Ca 0.23 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2aro h ASN 67 Cb -0.10 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.18 2aro h ASN 67 CO -0.05 0.29 -0.34 -0.78 -1.65 0.00 0.00 177.43 174.90 2aro h ASP 68 N 0.47 -0.80 -0.50 5.81 -0.00 -0.62 -1.35 116.42 119.42 2aro h ASP 68 Ca 0.13 0.03 0.04 0.00 -0.00 0.00 0.00 57.03 57.22 2aro h ASP 68 Cb -0.05 0.21 -0.04 0.00 -0.00 0.00 0.00 39.33 39.44 2aro h ASP 68 CO -0.03 -0.57 0.27 0.40 -0.00 0.00 0.00 179.24 179.31 2aro h ILE 69 N -0.95 0.98 -0.26 2.25 1.08 -1.11 0.24 117.51 119.74 2aro h ILE 69 Ca -0.10 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.25 2aro h ILE 69 Cb 0.73 0.41 -0.08 0.00 -3.07 0.00 0.00 36.82 34.81 2aro h ILE 69 CO 0.16 0.10 -0.37 0.15 -0.69 0.00 0.00 178.15 177.49 2aro h PHE 70 N 0.52 -1.05 -0.80 1.37 3.04 -0.95 -1.15 116.94 117.93 2aro h PHE 70 Ca 0.22 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.23 2aro h PHE 70 Cb 0.11 0.50 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 2aro h PHE 70 CO -0.09 -0.42 0.52 0.93 -2.02 0.00 0.00 178.31 177.22 2aro h GLU 71 N -0.37 1.06 -0.12 1.11 5.08 -0.78 -0.32 114.58 120.23 2aro h GLU 71 Ca 0.12 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2aro h GLU 71 Cb 0.57 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2aro h GLU 71 CO -0.46 0.71 0.07 0.00 -1.00 0.00 0.00 179.01 178.32 2aro h ARG 72 N 1.08 0.17 -0.19 2.33 3.08 -0.73 -0.98 114.38 119.15 2aro h ARG 72 Ca 0.29 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 2aro h ARG 72 Cb -0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2aro h ARG 72 CO -0.06 0.20 -0.07 0.82 -1.07 0.00 0.00 179.97 179.79 2aro h ILE 73 N 0.10 1.30 -0.82 2.04 2.04 -1.01 -2.05 117.51 119.11 2aro h ILE 73 Ca 0.04 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.82 2aro h ILE 73 Cb 0.08 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2aro h ILE 73 CO -0.01 0.33 0.54 0.00 0.00 0.00 0.00 178.15 179.01 2aro h ALA 74 N 0.71 1.06 -0.57 1.87 0.00 -1.10 0.19 119.26 121.42 2aro h ALA 74 Ca 0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2aro h ALA 74 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2aro h ALA 74 CO 0.02 0.40 -0.06 0.78 0.00 0.00 0.00 179.25 180.40 2aro h GLY 75 N 1.07 1.13 1.09 0.00 0.00 -1.12 -1.06 103.07 104.18 2aro h GLY 75 Ca 0.31 -0.87 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 2aro h GLY 75 CO -0.09 0.80 -0.25 -2.09 0.00 0.00 0.00 176.54 174.91 2aro h GLU 76 N 0.93 0.94 -0.75 4.80 4.57 -1.15 -1.93 114.58 121.99 2aro h GLU 76 Ca 0.15 -0.43 0.07 0.00 -1.18 0.00 0.00 59.36 57.98 2aro h GLU 76 Cb 0.62 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 2aro h GLU 76 CO 0.04 1.09 0.49 0.00 -1.18 0.00 0.00 179.01 179.45 2aro h ALA 77 N 0.83 1.71 -0.14 2.92 0.00 -0.37 -1.34 119.26 122.87 2aro h ALA 77 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2aro h ALA 77 Cb 0.83 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2aro h ALA 77 CO 0.07 0.16 -0.12 1.03 0.00 0.00 0.00 179.25 180.38 2aro h SER 78 N 0.76 0.35 -0.30 0.00 0.87 -1.02 -2.16 113.55 112.04 2aro h SER 78 Ca 0.33 -0.47 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2aro h SER 78 Cb 0.31 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 2aro h SER 78 CO -0.12 0.75 -0.01 0.03 -0.53 0.00 0.00 176.83 176.95 2aro h ARG 79 N -0.04 0.07 -0.45 2.24 3.08 -1.13 -2.16 114.38 115.99 2aro h ARG 79 Ca 0.02 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2aro h ARG 79 Cb 0.64 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 2aro h ARG 79 CO 0.03 0.05 0.08 -0.07 -1.07 0.00 0.00 179.97 178.99 2aro h LEU 80 N 0.08 -0.01 -0.69 3.04 3.38 -1.25 0.11 115.31 119.96 2aro h LEU 80 Ca 0.14 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2aro h LEU 80 Cb 0.20 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2aro h LEU 80 CO -0.25 0.03 0.38 0.00 0.09 0.00 0.00 178.44 178.68 2aro h ALA 81 N 1.35 0.88 -0.36 1.53 0.00 -1.35 -1.84 119.26 119.48 2aro h ALA 81 Ca 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2aro h ALA 81 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2aro h ALA 81 CO -0.30 0.40 0.03 1.25 0.00 0.00 0.00 179.25 180.63 2aro h HIS 82 N 0.95 0.66 -0.83 0.00 -0.00 -1.03 0.18 115.15 115.09 2aro h HIS 82 Ca 0.24 -0.10 0.10 0.00 -0.00 0.00 0.00 60.37 60.61 2aro h HIS 82 Cb 0.04 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 27.22 2aro h HIS 82 CO -0.00 0.69 0.54 -0.92 -0.00 0.00 0.00 177.93 178.23 2aro h TYR 83 N 0.44 0.84 -0.72 5.26 3.20 -0.71 -1.71 116.97 123.58 2aro h TYR 83 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2aro h TYR 83 Cb 0.40 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2aro h TYR 83 CO 0.03 0.39 0.00 0.09 -1.64 0.00 0.00 178.16 177.03 2aro n ASN 84 N -4.51 3.98 -3.98 -2.11 4.13 -0.70 -4.96 115.26 107.10 2aro n ASN 84 Ca 0.14 -2.03 -0.31 0.00 1.68 0.00 0.00 54.58 54.06 2aro n ASN 84 Cb 0.32 -0.49 0.01 0.00 -1.54 0.00 0.00 39.78 38.08 2aro n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2aro n LYS 85 N 1.57 -4.59 -4.11 3.52 5.02 -0.07 -4.97 118.16 114.53 2aro n LYS 85 Ca 0.24 0.52 -0.36 0.00 -2.02 0.00 0.00 58.31 56.69 2aro n LYS 85 Cb 0.63 -5.25 -0.08 0.00 -0.02 0.00 0.00 35.03 30.31 2aro n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2aro s ARG 86 N -6.64 3.34 0.00 1.97 1.81 0.45 -5.00 118.95 114.89 2aro s ARG 86 Ca 0.55 -0.29 0.27 0.00 -1.72 0.00 0.00 55.73 54.55 2aro s ARG 86 Cb -0.28 -3.03 0.93 0.00 -0.45 0.00 0.00 34.95 32.12 2aro s ARG 86 CO 0.86 0.66 1.67 -1.13 -0.68 0.00 0.00 175.30 176.68 2aro n SER 87 N 2.33 1.44 -4.29 0.23 3.41 -1.26 -4.32 113.62 111.16 2aro n SER 87 Ca -0.19 -1.36 -0.31 0.00 -0.26 0.00 0.00 58.87 56.75 2aro n SER 87 Cb 0.54 0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.37 2aro n SER 87 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aro s THR 88 N -2.13 2.05 -0.32 6.66 2.01 -1.26 -5.09 115.64 117.56 2aro s THR 88 Ca 0.34 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 2aro s THR 88 Cb 0.20 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2aro s THR 88 CO 0.38 0.58 0.60 -0.63 -0.69 0.00 0.00 174.62 174.86 2aro s ILE 89 N -0.40 4.95 0.50 1.82 1.01 -1.26 -4.88 121.20 122.94 2aro s ILE 89 Ca 0.04 0.73 0.07 0.00 0.00 0.00 0.00 60.65 61.49 2aro s ILE 89 Cb -0.12 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.39 2aro s ILE 89 CO 0.01 -0.16 0.49 0.42 0.00 0.00 0.00 174.94 175.70 2aro s THR 90 N 2.57 2.18 0.62 2.92 -4.23 -1.26 -5.01 115.64 113.44 2aro s THR 90 Ca 0.24 -1.30 0.32 0.00 -1.18 0.00 0.00 61.69 59.76 2aro s THR 90 Cb -0.15 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.57 2aro s THR 90 CO 0.12 0.00 2.07 0.77 -0.54 0.00 0.00 174.62 177.05 2aro h SER 91 N 0.71 0.00 -0.39 3.99 4.64 -1.99 -2.32 113.55 118.19 2aro h SER 91 Ca -0.37 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 2aro h SER 91 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 2aro h SER 91 CO 0.53 0.00 -0.26 -0.09 -0.87 0.00 0.00 176.83 176.14 2aro h ARG 92 N 0.00 0.87 -0.47 4.77 2.43 -1.99 0.00 114.38 119.99 2aro h ARG 92 Ca 0.06 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 2aro h ARG 92 Cb 0.54 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2aro h ARG 92 CO -0.00 1.05 0.06 0.93 -1.51 0.00 0.00 179.97 180.51 2aro h GLU 93 N 0.68 0.80 -0.37 0.20 3.07 -1.80 -1.26 114.58 115.90 2aro h GLU 93 Ca 0.08 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2aro h GLU 93 Cb 0.83 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 2aro h GLU 93 CO 0.07 0.81 0.23 0.82 -1.40 0.00 0.00 179.01 179.55 2aro h ILE 94 N 0.66 1.07 -0.28 3.13 1.08 -1.37 -0.63 117.51 121.18 2aro h ILE 94 Ca 0.14 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2aro h ILE 94 Cb 0.41 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 2aro h ILE 94 CO 0.01 0.09 0.17 -0.61 -0.69 0.00 0.00 178.15 177.12 2aro h GLN 95 N 0.48 0.34 -0.66 2.37 4.15 -0.87 -0.66 115.11 120.26 2aro h GLN 95 Ca 0.14 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 2aro h GLN 95 Cb -0.04 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 2aro h GLN 95 CO -0.04 0.22 0.11 1.15 -1.93 0.00 0.00 178.83 178.34 2aro h THR 96 N 0.35 1.26 -0.71 2.39 2.02 -1.13 -2.01 112.91 115.07 2aro h THR 96 Ca 0.10 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2aro h THR 96 Cb -0.02 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2aro h THR 96 CO -0.04 0.39 0.46 0.00 0.37 0.00 0.00 175.52 176.70 2aro h ALA 97 N 1.04 0.90 -0.72 6.16 0.00 -0.71 -0.84 119.26 125.10 2aro h ALA 97 Ca 0.20 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2aro h ALA 97 Cb 0.44 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2aro h ALA 97 CO 0.01 0.34 0.42 0.28 0.00 0.00 0.00 179.25 180.30 2aro h VAL 98 N 0.97 1.01 -0.34 0.00 2.07 -0.77 -0.91 116.25 118.28 2aro h VAL 98 Ca 0.26 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2aro h VAL 98 Cb -0.10 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2aro h VAL 98 CO -0.05 0.14 -0.23 0.03 0.02 0.00 0.00 177.57 177.48 2aro h ARG 99 N 0.79 0.66 -0.31 1.57 3.08 -0.92 -1.37 114.38 117.89 2aro h ARG 99 Ca 0.31 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2aro h ARG 99 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2aro h ARG 99 CO -0.16 0.84 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.38 2aro h LEU 100 N 0.58 0.65 0.01 3.04 3.38 -0.74 -3.36 115.31 118.87 2aro h LEU 100 Ca 0.08 -0.40 -0.28 0.00 0.09 0.00 0.00 57.88 57.38 2aro h LEU 100 Cb 0.70 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2aro h LEU 100 CO 0.05 0.90 -1.56 -0.07 0.09 0.00 0.00 178.44 177.85 2aro h LEU 101 N 0.40 0.04 -9.88 1.67 3.38 -1.09 -3.47 115.31 106.35 2aro h LEU 101 Ca 0.07 -0.06 -0.59 0.00 0.09 0.00 0.00 57.88 57.39 2aro h LEU 101 Cb 0.64 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2aro h LEU 101 CO 0.04 1.06 -0.30 -0.76 0.09 0.00 0.00 178.44 178.57 2aro s LEU 102 N -6.30 4.31 0.71 1.67 1.02 -0.53 -5.06 118.68 114.50 2aro s LEU 102 Ca -0.04 0.66 -0.15 0.00 0.02 0.00 0.00 54.13 54.62 2aro s LEU 102 Cb 0.08 -3.12 0.03 0.00 0.02 0.00 0.00 46.19 43.20 2aro s LEU 102 CO 0.82 0.12 1.17 -2.16 0.02 0.00 0.00 176.35 176.32 2aro s PRO 103 N -2.28 2.37 0.25 1.29 0.04 -1.26 -4.60 135.00 130.81 2aro s PRO 103 Ca 0.36 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 2aro s PRO 103 Cb -0.13 -1.88 0.48 0.00 0.04 0.00 0.00 34.50 33.02 2aro s PRO 103 CO 0.21 -1.62 1.68 0.78 0.04 0.00 0.00 177.00 178.09 2aro h GLY 104 N -0.19 1.04 0.81 0.56 0.00 -1.97 0.97 103.07 104.29 2aro h GLY 104 Ca -0.47 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 2aro h GLY 104 CO 0.51 -0.22 -0.28 -2.09 0.00 0.00 0.00 176.54 174.47 2aro h GLU 105 N 0.26 0.47 -0.54 4.80 4.81 -2.01 -2.64 114.58 119.72 2aro h GLU 105 Ca 0.43 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2aro h GLU 105 Cb 0.74 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2aro h GLU 105 CO -0.53 0.89 0.24 1.25 -0.73 0.00 0.00 179.01 180.13 2aro h LEU 106 N 0.09 0.69 -0.95 1.64 5.85 -1.77 -2.70 115.31 118.16 2aro h LEU 106 Ca 0.01 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2aro h LEU 106 Cb 0.86 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 2aro h LEU 106 CO 0.06 0.60 0.62 0.00 -0.34 0.00 0.00 178.44 179.39 2aro h ALA 107 N 1.51 1.21 -0.25 1.25 0.00 -0.63 -1.80 119.26 120.55 2aro h ALA 107 Ca 0.19 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2aro h ALA 107 Cb 0.11 -0.37 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 2aro h ALA 107 CO -0.02 0.57 -0.37 0.87 0.00 0.00 0.00 179.25 180.30 2aro h LYS 108 N 1.26 -0.36 -0.11 0.00 1.57 -1.14 0.18 116.57 117.97 2aro h LYS 108 Ca 0.35 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2aro h LYS 108 Cb -0.12 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2aro h LYS 108 CO -0.09 -0.24 0.07 0.45 -0.57 0.00 0.00 179.45 179.07 2aro h HIS 109 N -0.38 0.15 -0.78 -1.35 3.86 -1.49 -1.55 115.15 113.61 2aro h HIS 109 Ca 0.12 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2aro h HIS 109 Cb 0.58 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 2aro h HIS 109 CO -0.50 0.14 0.34 0.00 0.86 0.00 0.00 177.93 178.77 2aro h ALA 110 N 1.00 1.13 -0.40 2.45 0.00 -1.09 -1.37 119.26 120.98 2aro h ALA 110 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2aro h ALA 110 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2aro h ALA 110 CO -0.01 0.64 -0.25 0.28 0.00 0.00 0.00 179.25 179.91 2aro h VAL 111 N 1.13 1.27 -0.36 0.00 2.07 -0.54 -1.06 116.25 118.76 2aro h VAL 111 Ca 0.27 -1.39 -0.14 0.00 0.82 0.00 0.00 66.70 66.25 2aro h VAL 111 Cb 0.16 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2aro h VAL 111 CO -0.03 0.46 -0.35 -1.28 0.02 0.00 0.00 177.57 176.39 2aro h SER 112 N 0.71 0.87 -0.59 0.57 0.87 -0.93 -1.22 113.55 113.82 2aro h SER 112 Ca 0.09 -0.38 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 2aro h SER 112 Cb 0.79 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2aro h SER 112 CO 0.06 1.13 -0.02 -0.33 -0.53 0.00 0.00 176.83 177.14 2aro h GLU 113 N 0.68 1.06 -0.28 2.24 4.39 -1.08 -1.68 114.58 119.90 2aro h GLU 113 Ca 0.07 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 2aro h GLU 113 Cb 0.91 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2aro h GLU 113 CO 0.08 1.05 0.11 0.78 -1.16 0.00 0.00 179.01 179.87 2aro h GLY 114 N 0.98 0.46 0.98 -3.84 0.00 -1.03 -2.08 103.07 98.53 2aro h GLY 114 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2aro h GLY 114 CO 0.03 0.23 0.27 -0.84 0.00 0.00 0.00 176.54 176.24 2aro h THR 115 N 0.31 1.16 -0.38 4.70 2.02 -1.22 -2.00 112.91 117.51 2aro h THR 115 Ca 0.09 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 66.93 2aro h THR 115 Cb 0.18 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2aro h THR 115 CO -0.01 0.17 0.03 0.11 0.37 0.00 0.00 175.52 176.19 2aro h LYS 116 N 0.64 0.14 -0.59 6.66 1.57 -1.19 -0.77 116.57 123.02 2aro h LYS 116 Ca 0.17 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2aro h LYS 116 Cb 0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2aro h LYS 116 CO -0.03 0.09 0.22 0.00 -0.57 0.00 0.00 179.45 179.16 2aro h ALA 117 N 1.31 0.77 -0.47 3.86 0.00 -1.13 -0.28 119.26 123.33 2aro h ALA 117 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2aro h ALA 117 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2aro h ALA 117 CO -0.28 0.41 -0.16 0.28 0.00 0.00 0.00 179.25 179.50 2aro h VAL 118 N 0.83 1.27 -0.53 0.00 2.07 -1.22 -0.94 116.25 117.73 2aro h VAL 118 Ca 0.20 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.43 2aro h VAL 118 Cb 0.23 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2aro h VAL 118 CO -0.01 0.45 0.33 0.74 0.02 0.00 0.00 177.57 179.10 2aro h THR 119 N 0.78 1.10 -0.45 2.57 2.02 -0.82 -1.22 112.91 116.88 2aro h THR 119 Ca 0.11 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2aro h THR 119 Cb 0.72 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2aro h THR 119 CO 0.06 0.12 0.12 0.11 0.37 0.00 0.00 175.52 176.29 2aro h LYS 120 N 0.67 0.72 -0.08 6.66 1.57 -0.79 -1.47 116.57 123.86 2aro h LYS 120 Ca 0.20 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2aro h LYS 120 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2aro h LYS 120 CO -0.07 0.71 -0.35 -0.92 -0.57 0.00 0.00 179.45 178.26 2aro h TYR 121 N 0.60 0.17 0.00 -1.35 5.03 -1.00 -3.02 116.97 117.40 2aro h TYR 121 Ca 0.14 -0.04 -0.20 0.00 2.58 0.00 0.00 58.73 61.22 2aro h TYR 121 Cb 0.31 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.52 2aro h TYR 121 CO 0.02 0.48 -1.32 1.15 -1.32 0.00 0.00 178.16 177.18 2aro h THR 122 N 0.13 0.78 0.00 1.81 2.02 -1.20 -3.36 112.91 113.10 2aro h THR 122 Ca 0.02 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2aro h THR 122 Cb 0.68 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2aro h THR 122 CO 0.05 0.45 0.00 -1.20 0.37 0.00 0.00 175.52 175.19 2aro n SER 123 N -3.03 0.00 -4.56 4.18 7.64 -0.56 -4.51 113.62 112.79 2aro n SER 123 Ca -0.09 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.41 2aro n SER 123 Cb 0.89 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.07 2aro n SER 123 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2aro s SER 124 N -1.50 5.08 0.00 6.43 1.04 -1.25 -5.09 113.70 118.41 2aro s SER 124 Ca 0.00 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2aro s SER 124 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2aro s SER 124 CO 0.00 -2.46 0.00 1.17 0.98 0.00 0.00 173.24 172.93