#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 3.33 0.30 5.56 -0.14 -1.26 -5.06 119.74 122.48 2aro s LYS 34 Ca 0.00 0.11 -0.30 0.00 -1.36 0.00 0.00 55.97 54.43 2aro s LYS 34 Cb 0.00 -2.35 -0.11 0.00 -1.68 0.00 0.00 37.83 33.69 2aro s LYS 34 CO 0.00 -0.36 1.56 -2.00 -0.76 0.00 0.00 175.35 173.78 2aro s GLU 35 N -4.82 4.14 -0.16 1.68 2.56 -1.26 -5.00 118.70 115.84 2aro s GLU 35 Ca 0.50 2.54 -0.14 0.00 0.00 0.00 0.00 54.97 57.87 2aro s GLU 35 Cb -0.10 -3.02 -0.05 0.00 2.00 0.00 0.00 34.13 32.96 2aro s GLU 35 CO 0.45 -0.59 0.31 0.45 -0.56 0.00 0.00 175.26 175.32 2aro s SER 36 N 0.36 6.46 -0.10 -1.70 0.15 -1.26 -4.89 113.70 112.73 2aro s SER 36 Ca 0.61 0.54 0.13 0.00 0.70 0.00 0.00 55.95 57.93 2aro s SER 36 Cb -0.47 -2.19 0.32 0.00 -1.71 0.00 0.00 66.02 61.97 2aro s SER 36 CO 0.50 0.09 1.24 -1.22 1.20 0.00 0.00 173.24 175.05 2aro n TYR 37 N 3.58 0.41 -0.19 3.44 4.01 -1.26 -4.88 117.16 122.28 2aro n TYR 37 Ca -0.11 -0.77 -0.01 0.00 -0.16 0.00 0.00 57.90 56.84 2aro n TYR 37 Cb 0.52 -0.16 0.06 0.00 -0.31 0.00 0.00 39.34 39.44 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 1.02 -0.47 -0.54 7.72 0.02 -1.93 -0.41 113.55 118.96 2aro h SER 38 Ca 0.00 0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 2aro h SER 38 Cb 1.01 0.33 -0.08 0.00 0.14 0.00 0.00 62.40 63.80 2aro h SER 38 CO 0.08 -0.17 0.09 0.40 -1.14 0.00 0.00 176.83 176.09 2aro h ILE 39 N 0.02 0.67 -0.06 3.27 1.08 -1.99 0.17 117.51 120.66 2aro h ILE 39 Ca 0.28 -0.08 -0.22 0.00 -0.39 0.00 0.00 64.86 64.45 2aro h ILE 39 Cb 0.43 0.43 0.01 0.00 -3.07 0.00 0.00 36.82 34.62 2aro h ILE 39 CO -0.56 0.04 -0.84 1.88 -0.69 0.00 0.00 178.15 177.98 2aro h TYR 40 N 0.22 0.97 -0.65 1.37 0.05 -1.69 -1.85 116.97 115.39 2aro h TYR 40 Ca 0.27 -0.48 0.01 0.00 0.05 0.00 0.00 58.73 58.58 2aro h TYR 40 Cb 0.39 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 2aro h TYR 40 CO -0.25 1.31 0.43 -0.39 -1.05 0.00 0.00 178.16 178.21 2aro h VAL 41 N 0.35 1.16 -0.33 -2.88 -1.51 -0.62 -0.88 116.25 111.55 2aro h VAL 41 Ca -0.09 -0.30 0.07 0.00 -1.23 0.00 0.00 66.70 65.16 2aro h VAL 41 Cb 1.49 0.21 -0.08 0.00 -2.13 0.00 0.00 31.29 30.78 2aro h VAL 41 CO 0.17 0.16 -0.22 1.88 -1.23 0.00 0.00 177.57 178.32 2aro h TYR 42 N 0.87 -0.58 -0.75 5.19 -1.99 -0.92 0.52 116.97 119.31 2aro h TYR 42 Ca 0.24 0.04 0.07 0.00 2.00 0.00 0.00 58.73 61.08 2aro h TYR 42 Cb -0.10 0.31 -0.06 0.00 2.00 0.00 0.00 36.73 38.88 2aro h TYR 42 CO -0.03 -0.30 0.43 0.87 -0.00 0.00 0.00 178.16 179.13 2aro h LYS 43 N -0.19 0.75 -0.57 4.88 1.57 -0.99 -1.58 116.57 120.44 2aro h LYS 43 Ca 0.17 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2aro h LYS 43 Cb 0.44 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2aro h LYS 43 CO -0.44 0.50 0.03 0.28 -0.57 0.00 0.00 179.45 179.25 2aro h VAL 44 N 0.77 1.26 -0.95 0.50 2.07 -0.74 -2.74 116.25 116.42 2aro h VAL 44 Ca 0.34 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.81 2aro h VAL 44 Cb 0.24 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2aro h VAL 44 CO -0.20 0.39 0.62 0.25 0.02 0.00 0.00 177.57 178.65 2aro h LEU 45 N 0.88 1.04 -0.87 2.57 5.85 -0.20 -2.14 115.31 122.45 2aro h LEU 45 Ca 0.17 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 2aro h LEU 45 Cb 0.50 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2aro h LEU 45 CO 0.02 0.73 -0.20 0.11 -0.34 0.00 0.00 178.44 178.76 2aro h LYS 46 N 1.22 0.61 -0.32 1.25 1.57 -1.21 0.16 116.57 119.84 2aro h LYS 46 Ca 0.37 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2aro h LYS 46 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2aro h LYS 46 CO -0.11 0.77 -0.01 1.96 -0.57 0.00 0.00 179.45 181.50 2aro h GLN 47 N 0.54 0.49 0.00 3.15 4.20 -1.16 -3.03 115.11 119.31 2aro h GLN 47 Ca 0.08 -0.10 -0.38 0.00 0.06 0.00 0.00 58.65 58.31 2aro h GLN 47 Cb 0.65 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2aro h GLN 47 CO 0.05 0.53 -2.43 1.55 -0.67 0.00 0.00 178.83 177.86 2aro n VAL 48 N -4.29 1.45 -3.30 -0.54 3.14 -0.84 -4.74 118.33 109.21 2aro n VAL 48 Ca 0.01 -0.70 -0.24 0.00 -2.96 0.00 0.00 64.34 60.45 2aro n VAL 48 Cb 0.24 -0.99 -0.08 0.00 -1.06 0.00 0.00 33.84 31.95 2aro n VAL 48 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2aro n HIS 49 N -3.03 -1.29 -0.32 1.45 8.25 0.52 -5.01 115.22 115.78 2aro n HIS 49 Ca -0.40 -3.07 0.14 0.00 -0.26 0.00 0.00 57.72 54.14 2aro n HIS 49 Cb 1.07 0.40 0.38 0.00 1.12 0.00 0.00 29.99 32.95 2aro n HIS 49 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2aro h PRO 50 N 5.47 0.65 -0.97 -0.41 0.11 -1.66 -0.92 132.00 134.26 2aro h PRO 50 Ca 0.23 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.40 2aro h PRO 50 Cb 0.93 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 31.77 2aro h PRO 50 CO 0.33 0.43 -0.55 0.38 -0.21 0.00 0.00 178.00 178.38 2aro h ASP 51 N 0.67 -2.02 -2.86 -2.05 -0.00 -1.91 -3.47 116.42 104.78 2aro h ASP 51 Ca 0.54 0.32 -0.63 0.00 -0.00 0.00 0.00 57.03 57.26 2aro h ASP 51 Cb 0.95 0.91 -0.06 0.00 -0.00 0.00 0.00 39.33 41.14 2aro h ASP 51 CO -0.30 -0.25 -0.38 0.28 -0.00 0.00 0.00 179.24 178.59 2aro s THR 52 N -5.59 5.30 0.14 1.15 -1.32 -0.35 -5.10 115.64 109.88 2aro s THR 52 Ca -0.12 0.30 -0.01 0.00 -1.21 0.00 0.00 61.69 60.65 2aro s THR 52 Cb 0.13 -3.55 0.03 0.00 -1.51 0.00 0.00 72.50 67.60 2aro s THR 52 CO 0.64 0.47 0.19 0.61 -2.21 0.00 0.00 174.62 174.32 2aro n GLY 53 N 1.47 0.26 3.30 6.08 0.00 -1.26 -4.87 105.19 110.16 2aro n GLY 53 Ca -0.14 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.64 -0.05 0.83 -0.61 2.07 -1.26 -5.16 121.20 116.38 2aro s ILE 54 Ca 0.12 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.34 2aro s ILE 54 Cb -0.01 -0.64 0.09 0.00 0.13 0.00 0.00 42.46 42.03 2aro s ILE 54 CO 0.08 0.04 1.09 -0.94 -1.91 0.00 0.00 174.94 173.30 2aro s SER 55 N 1.46 4.14 0.32 4.50 1.04 -1.26 -4.85 113.70 119.06 2aro s SER 55 Ca -0.09 1.50 0.14 0.00 0.48 0.00 0.00 55.95 57.98 2aro s SER 55 Cb -0.08 -2.22 0.52 0.00 0.10 0.00 0.00 66.02 64.34 2aro s SER 55 CO -0.13 -2.22 1.68 0.77 0.98 0.00 0.00 173.24 174.32 2aro h SER 56 N -1.26 0.00 -0.04 7.02 4.64 -2.02 0.30 113.55 122.20 2aro h SER 56 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2aro h SER 56 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2aro h SER 56 CO 0.56 0.50 0.01 0.11 -0.87 0.00 0.00 176.83 177.13 2aro h LYS 57 N 0.00 0.06 -0.60 4.77 6.56 -1.99 -1.46 116.57 123.90 2aro h LYS 57 Ca -0.00 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2aro h LYS 57 Cb 0.98 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.60 2aro h LYS 57 CO 0.06 0.25 0.24 0.00 -2.06 0.00 0.00 179.45 177.94 2aro h ALA 58 N 0.81 1.28 -0.68 3.86 0.00 -1.88 -1.38 119.26 121.27 2aro h ALA 58 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2aro h ALA 58 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2aro h ALA 58 CO -0.00 0.53 0.26 1.98 0.00 0.00 0.00 179.25 182.02 2aro h MET 59 N 0.87 1.01 -0.98 0.00 1.85 -0.88 -1.73 114.93 115.07 2aro h MET 59 Ca 0.21 -0.19 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 2aro h MET 59 Cb 0.18 -0.16 -0.06 0.00 0.43 0.00 0.00 31.60 31.98 2aro h MET 59 CO -0.02 0.85 0.64 0.78 -0.40 0.00 0.00 176.91 178.76 2aro h GLY 60 N 0.96 1.45 0.97 1.39 0.00 -0.62 -0.46 103.07 106.76 2aro h GLY 60 Ca 0.22 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2aro h GLY 60 CO -0.02 0.40 0.21 -2.22 0.00 0.00 0.00 176.54 174.91 2aro h ILE 61 N 1.22 1.14 -0.77 2.60 2.04 -0.97 -2.17 117.51 120.60 2aro h ILE 61 Ca 0.40 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2aro h ILE 61 Cb 0.04 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2aro h ILE 61 CO -0.14 0.14 0.33 0.24 0.00 0.00 0.00 178.15 178.73 2aro h MET 62 N 0.47 1.13 -0.59 2.37 2.86 -0.98 -0.85 114.93 119.33 2aro h MET 62 Ca 0.13 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2aro h MET 62 Cb 0.04 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2aro h MET 62 CO -0.02 0.89 0.27 -0.91 1.06 0.00 0.00 176.91 178.20 2aro h ASN 63 N 1.11 0.79 -0.61 1.22 2.35 -1.00 -1.00 115.58 118.44 2aro h ASN 63 Ca 0.26 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2aro h ASN 63 Cb 0.17 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2aro h ASN 63 CO -0.03 0.72 0.40 0.28 -1.65 0.00 0.00 177.43 177.15 2aro h SER 64 N 0.81 0.69 0.09 5.81 0.02 -0.95 -1.95 113.55 118.07 2aro h SER 64 Ca 0.20 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2aro h SER 64 Cb 0.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2aro h SER 64 CO -0.02 0.50 -0.04 0.15 -1.14 0.00 0.00 176.83 176.27 2aro h PHE 65 N 0.82 -0.11 -0.30 3.45 3.57 -0.92 0.56 116.94 124.01 2aro h PHE 65 Ca 0.23 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.76 2aro h PHE 65 Cb -0.08 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2aro h PHE 65 CO -0.03 -0.03 0.11 0.28 -2.23 0.00 0.00 178.31 176.41 2aro h VAL 66 N -0.16 0.93 -0.83 1.41 2.07 -1.04 -1.10 116.25 117.52 2aro h VAL 66 Ca -0.01 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2aro h VAL 66 Cb 0.13 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2aro h VAL 66 CO 0.02 0.05 0.37 0.78 0.02 0.00 0.00 177.57 178.80 2aro h ASN 67 N 0.25 1.12 0.02 0.57 -0.26 -1.20 0.10 115.58 116.18 2aro h ASN 67 Ca 0.13 -0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2aro h ASN 67 Cb 0.09 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 2aro h ASN 67 CO -0.13 0.96 -0.01 -0.78 -1.06 0.00 0.00 177.43 176.41 2aro h ASP 68 N 1.20 -0.02 -0.41 5.81 -0.00 -0.61 -0.17 116.42 122.22 2aro h ASP 68 Ca 0.28 -0.17 -0.10 0.00 -0.00 0.00 0.00 57.03 57.05 2aro h ASP 68 Cb 0.17 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.49 2aro h ASP 68 CO -0.03 0.15 -0.13 0.40 -0.00 0.00 0.00 179.24 179.63 2aro h ILE 69 N -0.20 1.28 -0.18 2.25 1.08 -1.01 -0.64 117.51 120.09 2aro h ILE 69 Ca -0.00 -1.25 0.05 0.00 -0.39 0.00 0.00 64.86 63.27 2aro h ILE 69 Cb 0.19 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 2aro h ILE 69 CO 0.00 0.42 -0.21 0.15 -0.69 0.00 0.00 178.15 177.82 2aro h PHE 70 N 0.63 -0.55 -0.78 1.37 3.04 -0.85 -1.57 116.94 118.22 2aro h PHE 70 Ca 0.10 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 2aro h PHE 70 Cb 0.67 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 2aro h PHE 70 CO 0.05 -0.29 0.45 0.93 -2.02 0.00 0.00 178.31 177.43 2aro h GLU 71 N -0.24 1.07 0.08 1.11 5.08 -0.63 -0.56 114.58 120.49 2aro h GLU 71 Ca 0.12 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2aro h GLU 71 Cb 0.42 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2aro h GLU 71 CO -0.32 0.77 -0.08 0.00 -1.00 0.00 0.00 179.01 178.38 2aro h ARG 72 N 1.07 -0.17 -0.43 2.33 3.08 -0.89 -0.61 114.38 118.77 2aro h ARG 72 Ca 0.28 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 2aro h ARG 72 Cb -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2aro h ARG 72 CO -0.05 -0.11 0.09 0.82 -1.07 0.00 0.00 179.97 179.65 2aro h ILE 73 N -0.17 1.24 -0.32 2.04 2.04 -1.13 -1.54 117.51 119.67 2aro h ILE 73 Ca 0.00 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 64.85 2aro h ILE 73 Cb 0.17 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2aro h ILE 73 CO -0.02 0.30 -0.45 0.00 0.00 0.00 0.00 178.15 177.98 2aro h ALA 74 N 0.95 0.60 -0.33 1.87 0.00 -1.08 -0.99 119.26 120.29 2aro h ALA 74 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2aro h ALA 74 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2aro h ALA 74 CO 0.01 0.68 0.21 0.78 0.00 0.00 0.00 179.25 180.93 2aro h GLY 75 N 0.83 0.46 0.93 0.00 0.00 -1.07 0.17 103.07 104.40 2aro h GLY 75 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2aro h GLY 75 CO 0.10 0.17 0.09 -2.09 0.00 0.00 0.00 176.54 174.81 2aro h GLU 76 N 0.44 0.63 -0.82 4.80 4.57 -1.16 -1.93 114.58 121.11 2aro h GLU 76 Ca 0.12 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2aro h GLU 76 Cb -0.04 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2aro h GLU 76 CO -0.03 0.67 0.54 0.00 -1.18 0.00 0.00 179.01 179.01 2aro h ALA 77 N 0.94 1.45 -0.19 2.92 0.00 -1.03 0.21 119.26 123.56 2aro h ALA 77 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2aro h ALA 77 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2aro h ALA 77 CO 0.00 0.50 0.07 1.03 0.00 0.00 0.00 179.25 180.85 2aro h SER 78 N 1.08 0.26 -0.57 0.00 0.87 -0.47 -1.56 113.55 113.16 2aro h SER 78 Ca 0.31 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 2aro h SER 78 Cb -0.07 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 2aro h SER 78 CO -0.08 0.37 0.26 0.03 -0.53 0.00 0.00 176.83 176.88 2aro h ARG 79 N 0.14 0.47 -0.32 2.24 3.08 -0.96 -1.34 114.38 117.69 2aro h ARG 79 Ca 0.06 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2aro h ARG 79 Cb 0.19 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2aro h ARG 79 CO -0.00 0.31 0.11 -0.07 -1.07 0.00 0.00 179.97 179.24 2aro h LEU 80 N 0.48 0.11 -0.26 3.04 3.38 -0.84 0.50 115.31 121.71 2aro h LEU 80 Ca 0.27 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2aro h LEU 80 Cb 0.25 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2aro h LEU 80 CO -0.22 0.10 0.08 0.00 0.09 0.00 0.00 178.44 178.48 2aro h ALA 81 N 1.21 0.29 0.10 1.53 0.00 -1.10 -2.35 119.26 118.93 2aro h ALA 81 Ca 0.15 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aro h ALA 81 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2aro h ALA 81 CO -0.16 -0.34 -0.05 1.25 0.00 0.00 0.00 179.25 179.96 2aro h HIS 82 N 0.19 -0.12 -0.88 0.00 -0.00 -0.90 -0.13 115.15 113.31 2aro h HIS 82 Ca 0.12 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.72 2aro h HIS 82 Cb 0.10 0.04 -0.15 0.00 -0.00 0.00 0.00 27.41 27.40 2aro h HIS 82 CO -0.14 0.10 0.20 -0.92 -0.00 0.00 0.00 177.93 177.17 2aro h TYR 83 N -0.33 0.28 -0.26 5.26 3.20 -0.87 -1.04 116.97 123.20 2aro h TYR 83 Ca -0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2aro h TYR 83 Cb 0.28 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2aro h TYR 83 CO -0.01 -0.24 0.00 0.09 -1.64 0.00 0.00 178.16 176.36 2aro n ASN 84 N -5.27 1.94 -3.88 -2.11 4.13 -0.89 -4.94 115.26 104.25 2aro n ASN 84 Ca 0.21 -1.83 -0.29 0.00 1.68 0.00 0.00 54.58 54.35 2aro n ASN 84 Cb 0.68 -0.17 0.03 0.00 -1.54 0.00 0.00 39.78 38.78 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 0.52 -5.60 -4.19 3.52 5.02 -0.39 -4.99 118.16 112.04 2aro n LYS 85 Ca 0.15 0.61 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 2aro n LYS 85 Cb 0.35 -5.48 -0.08 0.00 -0.02 0.00 0.00 35.03 29.80 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 -6.54 3.23 0.00 1.97 1.81 -0.14 -4.99 118.95 114.29 2aro s ARG 86 Ca 0.59 -0.32 0.29 0.00 -1.72 0.00 0.00 55.73 54.57 2aro s ARG 86 Cb -0.29 -2.96 1.50 0.00 -0.45 0.00 0.00 34.95 32.75 2aro s ARG 86 CO 0.82 0.68 2.02 0.43 -0.68 0.00 0.00 175.30 178.57 2aro n SER 87 N 2.25 0.00 -3.93 0.23 7.64 -1.26 -4.35 113.62 114.20 2aro n SER 87 Ca -0.19 -0.20 -0.24 0.00 1.01 0.00 0.00 58.87 59.25 2aro n SER 87 Cb 0.54 -0.26 -0.17 0.00 -1.01 0.00 0.00 64.21 63.31 2aro n SER 87 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aro s THR 88 N -2.52 0.89 -0.35 0.44 2.01 -1.26 -5.10 115.64 109.75 2aro s THR 88 Ca 0.29 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2aro s THR 88 Cb 0.20 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.82 2aro s THR 88 CO 0.43 0.32 0.69 -0.63 -0.69 0.00 0.00 174.62 174.75 2aro s ILE 89 N 1.17 4.84 0.56 1.82 1.01 -1.26 -4.84 121.20 124.50 2aro s ILE 89 Ca -0.06 0.75 0.06 0.00 0.00 0.00 0.00 60.65 61.40 2aro s ILE 89 Cb -0.14 -4.11 0.06 0.00 0.01 0.00 0.00 42.46 38.27 2aro s ILE 89 CO -0.02 -0.33 0.47 0.35 0.00 0.00 0.00 174.94 175.42 2aro n THR 90 N 5.62 0.00 0.30 2.92 -2.24 -1.26 -5.00 114.28 114.62 2aro n THR 90 Ca 0.00 -2.18 0.16 0.00 -2.27 0.00 0.00 64.05 59.77 2aro n THR 90 Cb 0.48 -0.08 0.76 0.00 -2.10 0.00 0.00 70.33 69.39 2aro n THR 90 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2aro h SER 91 N 0.59 0.00 -0.14 3.42 4.64 -1.99 -2.48 113.55 117.59 2aro h SER 91 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2aro h SER 91 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2aro h SER 91 CO 0.53 0.00 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.39 2aro h ARG 92 N 0.00 0.25 -0.97 4.77 2.43 -1.99 -1.15 114.38 117.72 2aro h ARG 92 Ca 0.00 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2aro h ARG 92 Cb 0.24 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 2aro h ARG 92 CO 0.00 0.50 0.63 0.93 -1.51 0.00 0.00 179.97 180.52 2aro h GLU 93 N -0.03 1.28 0.15 0.20 3.07 -1.83 -1.68 114.58 115.74 2aro h GLU 93 Ca 0.04 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2aro h GLU 93 Cb 0.40 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2aro h GLU 93 CO 0.01 0.86 -0.07 0.82 -1.40 0.00 0.00 179.01 179.23 2aro h ILE 94 N 1.32 0.93 -0.39 3.13 1.08 -1.48 -1.33 117.51 120.77 2aro h ILE 94 Ca 0.35 -0.31 0.08 0.00 -0.39 0.00 0.00 64.86 64.59 2aro h ILE 94 Cb -0.13 1.12 -0.09 0.00 -3.07 0.00 0.00 36.82 34.65 2aro h ILE 94 CO -0.07 0.07 -0.20 -0.61 -0.69 0.00 0.00 178.15 176.65 2aro h GLN 95 N -0.35 -0.13 -0.63 2.37 4.15 -1.11 -0.36 115.11 119.05 2aro h GLN 95 Ca -0.02 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2aro h GLN 95 Cb 0.28 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2aro h GLN 95 CO 0.03 -0.08 0.40 1.15 -1.93 0.00 0.00 178.83 178.40 2aro h THR 96 N -0.13 1.17 -0.71 2.39 2.02 -1.22 -0.89 112.91 115.55 2aro h THR 96 Ca 0.19 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2aro h THR 96 Cb 0.43 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2aro h THR 96 CO -0.47 0.17 0.47 0.00 0.37 0.00 0.00 175.52 176.06 2aro h ALA 97 N 1.21 0.90 -0.14 6.16 0.00 -0.74 0.83 119.26 127.49 2aro h ALA 97 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aro h ALA 97 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2aro h ALA 97 CO -0.05 0.32 0.06 0.28 0.00 0.00 0.00 179.25 179.86 2aro h VAL 98 N 0.96 0.99 -0.39 0.00 2.07 -0.80 0.11 116.25 119.20 2aro h VAL 98 Ca 0.26 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.78 2aro h VAL 98 Cb -0.10 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2aro h VAL 98 CO -0.06 0.03 0.14 0.03 0.02 0.00 0.00 177.57 177.73 2aro h ARG 99 N 0.14 0.29 -0.91 1.57 3.08 -0.62 -0.66 114.38 117.28 2aro h ARG 99 Ca 0.05 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.11 2aro h ARG 99 Cb 0.01 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2aro h ARG 99 CO -0.04 0.19 0.59 -0.07 -1.07 0.00 0.00 179.97 179.58 2aro h LEU 100 N 0.30 1.00 0.05 3.04 3.38 -0.56 -3.34 115.31 119.18 2aro h LEU 100 Ca 0.18 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.81 2aro h LEU 100 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2aro h LEU 100 CO -0.18 0.70 -1.87 0.18 0.09 0.00 0.00 178.44 177.36 2aro n LEU 101 N -4.49 1.62 -4.83 1.67 4.77 0.00 -4.89 117.00 110.85 2aro n LEU 101 Ca 0.11 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 56.01 2aro n LEU 101 Cb 0.07 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2aro n LEU 101 CO 0.35 0.60 0.14 -0.76 -1.33 0.00 0.00 177.39 176.39 2aro s LEU 102 N -6.47 4.48 0.25 2.23 1.02 -0.27 -5.07 118.68 114.85 2aro s LEU 102 Ca -0.13 1.02 -0.30 0.00 0.02 0.00 0.00 54.13 54.74 2aro s LEU 102 Cb 0.07 -2.65 -0.09 0.00 0.02 0.00 0.00 46.19 43.54 2aro s LEU 102 CO 0.80 0.30 1.10 -2.16 0.02 0.00 0.00 176.35 176.41 2aro s PRO 103 N -1.00 4.63 3.24 1.29 0.04 -1.26 -4.53 135.00 137.41 2aro s PRO 103 Ca 0.25 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2aro s PRO 103 Cb -0.17 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2aro s PRO 103 CO 0.14 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.76 2aro n GLY 104 N 1.48 2.76 0.16 0.56 0.00 -1.26 -1.87 105.19 107.02 2aro n GLY 104 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.36 2aro n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2aro h GLU 105 N 0.00 0.00 -0.42 1.61 4.39 -2.00 -2.90 114.58 115.27 2aro h GLU 105 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2aro h GLU 105 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2aro h GLU 105 CO 0.00 0.50 0.20 1.25 -1.16 0.00 0.00 179.01 179.80 2aro h LEU 106 N 0.00 0.54 -0.18 1.33 5.85 -1.75 -0.82 115.31 120.30 2aro h LEU 106 Ca -0.01 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2aro h LEU 106 Cb 0.99 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2aro h LEU 106 CO 0.07 0.52 0.10 0.00 -0.34 0.00 0.00 178.44 178.78 2aro h ALA 107 N 1.05 0.23 -0.39 1.25 0.00 -1.30 -0.04 119.26 120.06 2aro h ALA 107 Ca 0.14 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2aro h ALA 107 Cb 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2aro h ALA 107 CO -0.02 -0.24 0.12 0.87 0.00 0.00 0.00 179.25 179.99 2aro h LYS 108 N 0.18 0.27 -0.42 0.00 1.57 -1.37 0.33 116.57 117.11 2aro h LYS 108 Ca 0.06 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 2aro h LYS 108 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2aro h LYS 108 CO -0.01 0.18 -0.31 0.45 -0.57 0.00 0.00 179.45 179.18 2aro h HIS 109 N 0.27 1.12 -0.35 -1.35 3.86 -0.99 -1.46 115.15 116.25 2aro h HIS 109 Ca 0.18 -0.31 -0.16 0.00 -1.16 0.00 0.00 60.37 58.93 2aro h HIS 109 Cb 0.18 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2aro h HIS 109 CO -0.16 1.13 -0.40 0.00 0.86 0.00 0.00 177.93 179.36 2aro h ALA 110 N 0.84 0.63 -0.80 2.45 0.00 -0.72 -1.64 119.26 120.01 2aro h ALA 110 Ca 0.08 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2aro h ALA 110 Cb 0.90 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2aro h ALA 110 CO 0.08 0.67 0.49 0.28 0.00 0.00 0.00 179.25 180.78 2aro h VAL 111 N 0.69 1.05 -0.43 0.00 2.07 -0.26 -0.91 116.25 118.47 2aro h VAL 111 Ca 0.05 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 2aro h VAL 111 Cb 0.98 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2aro h VAL 111 CO 0.09 0.17 0.08 -1.28 0.02 0.00 0.00 177.57 176.65 2aro h SER 112 N 0.91 0.67 -0.47 0.57 0.87 -1.08 -1.68 113.55 113.35 2aro h SER 112 Ca 0.34 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 2aro h SER 112 Cb 0.12 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2aro h SER 112 CO -0.16 0.75 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.64 2aro h GLU 113 N 0.56 0.97 -0.09 2.24 4.57 -1.16 -0.35 114.58 121.33 2aro h GLU 113 Ca 0.13 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2aro h GLU 113 Cb 0.36 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2aro h GLU 113 CO 0.01 1.06 0.04 0.78 -1.18 0.00 0.00 179.01 179.71 2aro h GLY 114 N 0.92 0.14 0.86 1.92 0.00 -1.12 -1.94 103.07 103.84 2aro h GLY 114 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.40 2aro h GLY 114 CO 0.06 0.07 0.22 -0.84 0.00 0.00 0.00 176.54 176.04 2aro h THR 115 N 0.01 1.01 -0.50 4.70 2.02 -1.16 -1.31 112.91 117.68 2aro h THR 115 Ca 0.03 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.13 2aro h THR 115 Cb 0.13 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 2aro h THR 115 CO -0.00 0.08 0.15 0.11 0.37 0.00 0.00 175.52 176.23 2aro h LYS 116 N 0.45 0.30 -0.13 6.66 1.57 -1.07 -1.36 116.57 122.99 2aro h LYS 116 Ca 0.16 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2aro h LYS 116 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2aro h LYS 116 CO -0.09 0.20 0.09 0.00 -0.57 0.00 0.00 179.45 179.07 2aro h ALA 117 N 1.36 0.16 -0.70 3.86 0.00 -0.93 -1.14 119.26 121.87 2aro h ALA 117 Ca 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2aro h ALA 117 Cb 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2aro h ALA 117 CO -0.28 -0.35 0.25 0.28 0.00 0.00 0.00 179.25 179.15 2aro h VAL 118 N 0.17 1.25 -0.48 0.00 2.07 -1.08 -0.62 116.25 117.56 2aro h VAL 118 Ca 0.05 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2aro h VAL 118 Cb -0.01 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2aro h VAL 118 CO -0.01 0.33 0.25 0.74 0.02 0.00 0.00 177.57 178.90 2aro h THR 119 N 1.01 1.18 -0.38 2.57 2.02 -1.14 -0.77 112.91 117.40 2aro h THR 119 Ca 0.23 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.78 2aro h THR 119 Cb 0.26 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2aro h THR 119 CO -0.01 0.19 -0.37 0.50 0.37 0.00 0.00 175.52 176.20 2aro h LYS 120 N 0.64 0.90 -0.17 6.66 3.64 -1.08 -0.74 116.57 126.42 2aro h LYS 120 Ca 0.17 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2aro h LYS 120 Cb 0.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2aro h LYS 120 CO -0.02 1.11 0.03 -0.92 -2.27 0.00 0.00 179.45 177.38 2aro h TYR 121 N 0.74 0.29 -0.55 1.91 5.03 -0.99 -0.98 116.97 122.42 2aro h TYR 121 Ca 0.06 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2aro h TYR 121 Cb 0.95 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 39.12 2aro h TYR 121 CO 0.06 0.42 0.32 1.15 -1.32 0.00 0.00 178.16 178.79 2aro h THR 122 N 0.07 1.16 -0.02 1.81 2.02 -1.13 -2.28 112.91 114.55 2aro h THR 122 Ca 0.05 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 2aro h THR 122 Cb 0.29 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2aro h THR 122 CO 0.00 0.17 -0.65 0.77 0.37 0.00 0.00 175.52 176.18 2aro h SER 123 N 0.76 0.08 0.00 4.18 4.64 -1.00 -3.51 113.55 118.71 2aro h SER 123 Ca 0.20 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2aro h SER 123 Cb -0.01 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2aro h SER 123 CO -0.04 0.71 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09