#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzy s LYS 34 N 0.00 3.96 0.32 -0.14 1.02 -1.26 -4.99 119.74 118.64 1tzy s LYS 34 Ca 0.00 0.93 -0.29 0.00 0.02 0.00 0.00 55.97 56.63 1tzy s LYS 34 Cb 0.00 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 1tzy s LYS 34 CO 0.00 -0.24 1.52 -2.00 -0.92 0.00 0.00 175.35 173.71 1tzy s GLU 35 N -3.99 4.15 -0.13 1.68 2.56 -1.26 -5.01 118.70 116.70 1tzy s GLU 35 Ca 0.59 2.52 -0.13 0.00 0.00 0.00 0.00 54.97 57.95 1tzy s GLU 35 Cb -0.10 -3.02 -0.05 0.00 2.00 0.00 0.00 34.13 32.97 1tzy s GLU 35 CO 0.30 -0.55 0.28 0.45 -0.56 0.00 0.00 175.26 175.19 1tzy s SER 36 N 0.20 6.47 -0.10 -1.70 0.15 -1.26 -4.91 113.70 112.56 1tzy s SER 36 Ca 0.58 0.56 0.14 0.00 0.70 0.00 0.00 55.95 57.93 1tzy s SER 36 Cb -0.46 -2.17 0.23 0.00 -1.71 0.00 0.00 66.02 61.90 1tzy s SER 36 CO 0.53 0.18 1.12 -1.22 1.20 0.00 0.00 173.24 175.05 1tzy n TYR 37 N 3.10 0.03 -0.22 3.44 4.01 -1.26 -4.85 117.16 121.40 1tzy n TYR 37 Ca -0.13 -0.87 0.03 0.00 -0.16 0.00 0.00 57.90 56.76 1tzy n TYR 37 Cb 0.52 -0.13 0.13 0.00 -0.31 0.00 0.00 39.34 39.56 1tzy n TYR 37 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1tzy h SER 38 N 0.07 -0.07 -0.72 7.72 0.02 -1.93 -0.80 113.55 117.84 1tzy h SER 38 Ca 0.00 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1tzy h SER 38 Cb 0.89 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1tzy h SER 38 CO 0.01 -0.04 0.48 0.40 -1.14 0.00 0.00 176.83 176.54 1tzy h ILE 39 N 0.22 1.18 0.00 3.27 1.08 -2.00 -0.12 117.51 121.16 1tzy h ILE 39 Ca 0.35 -0.34 -0.26 0.00 -0.39 0.00 0.00 64.86 64.23 1tzy h ILE 39 Cb 0.57 0.12 0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1tzy h ILE 39 CO -0.48 0.18 -1.04 1.88 -0.69 0.00 0.00 178.15 178.01 1tzy h TYR 40 N 0.98 0.97 -0.56 1.37 0.05 -1.59 -2.45 116.97 115.73 1tzy h TYR 40 Ca 0.27 -0.53 0.01 0.00 0.05 0.00 0.00 58.73 58.53 1tzy h TYR 40 Cb -0.11 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 1tzy h TYR 40 CO -0.00 1.37 0.36 0.28 -1.05 0.00 0.00 178.16 179.12 1tzy h VAL 41 N 0.36 1.12 -0.45 -2.88 2.07 -0.85 -1.39 116.25 114.24 1tzy h VAL 41 Ca -0.12 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1tzy h VAL 41 Cb 1.69 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1tzy h VAL 41 CO 0.20 0.13 0.24 0.22 0.02 0.00 0.00 177.57 178.39 1tzy h TYR 42 N 0.74 0.45 -0.93 1.57 5.03 -0.95 -0.98 116.97 121.90 1tzy h TYR 42 Ca 0.21 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.57 1tzy h TYR 42 Cb -0.05 -0.14 -0.05 0.00 1.55 0.00 0.00 36.73 38.04 1tzy h TYR 42 CO -0.04 0.24 0.61 0.87 -1.32 0.00 0.00 178.16 178.52 1tzy h LYS 43 N 0.49 1.15 -0.43 1.82 1.57 -1.12 -1.62 116.57 118.43 1tzy h LYS 43 Ca 0.19 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1tzy h LYS 43 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1tzy h LYS 43 CO -0.11 0.76 -0.11 0.28 -0.57 0.00 0.00 179.45 179.70 1tzy h VAL 44 N 1.19 1.27 -0.56 0.50 2.07 -0.91 -2.73 116.25 117.08 1tzy h VAL 44 Ca 0.37 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1tzy h VAL 44 Cb -0.02 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1tzy h VAL 44 CO -0.11 0.41 0.24 0.25 0.02 0.00 0.00 177.57 178.38 1tzy h LEU 45 N 0.65 0.28 -1.40 2.57 5.85 -0.86 -1.71 115.31 120.70 1tzy h LEU 45 Ca 0.11 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1tzy h LEU 45 Cb 0.65 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1tzy h LEU 45 CO 0.04 0.18 0.46 0.11 -0.34 0.00 0.00 178.44 178.89 1tzy h LYS 46 N 0.44 0.73 -0.25 1.25 1.57 -1.07 0.49 116.57 119.73 1tzy h LYS 46 Ca 0.27 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1tzy h LYS 46 Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1tzy h LYS 46 CO -0.24 0.48 -0.28 1.96 -0.57 0.00 0.00 179.45 180.80 1tzy h GLN 47 N 0.75 0.63 0.07 3.15 4.20 -1.10 -3.05 115.11 119.76 1tzy h GLN 47 Ca 0.29 -0.34 -0.31 0.00 0.06 0.00 0.00 58.65 58.35 1tzy h GLN 47 Cb 0.21 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1tzy h GLN 47 CO -0.09 0.95 -1.68 -0.39 -0.67 0.00 0.00 178.83 176.94 1tzy h VAL 48 N 0.34 0.94 -2.17 -0.54 -1.51 -0.85 -3.41 116.25 109.06 1tzy h VAL 48 Ca 0.04 -2.68 -0.56 0.00 -1.23 0.00 0.00 66.70 62.27 1tzy h VAL 48 Cb 0.85 2.58 -0.37 0.00 -2.13 0.00 0.00 31.29 32.22 1tzy h VAL 48 CO 0.07 0.73 -0.98 1.41 -1.23 0.00 0.00 177.57 177.57 1tzy n HIS 49 N -3.31 -0.99 0.08 5.19 8.25 0.12 -5.03 115.22 119.52 1tzy n HIS 49 Ca -0.20 -3.24 0.18 0.00 -0.26 0.00 0.00 57.72 54.21 1tzy n HIS 49 Cb 1.04 0.20 0.72 0.00 1.12 0.00 0.00 29.99 33.07 1tzy n HIS 49 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1tzy h PRO 50 N 5.18 0.00 -0.56 -0.41 0.11 -1.65 -1.93 132.00 132.74 1tzy h PRO 50 Ca 0.20 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.11 1tzy h PRO 50 Cb 0.91 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.90 1tzy h PRO 50 CO 0.37 0.00 0.17 -0.25 -0.21 0.00 0.00 178.00 178.08 1tzy n ASP 51 N -4.20 3.76 -4.42 -2.05 8.00 -1.26 -4.90 116.55 111.48 1tzy n ASP 51 Ca 0.07 -3.41 -0.33 0.00 0.71 0.00 0.00 54.79 51.83 1tzy n ASP 51 Cb 0.50 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 1tzy n ASP 51 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1tzy s THR 52 N -3.09 3.10 0.41 -3.53 2.01 -0.72 -5.13 115.64 108.69 1tzy s THR 52 Ca 0.50 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1tzy s THR 52 Cb 0.42 -2.27 0.08 0.00 0.01 0.00 0.00 72.50 70.74 1tzy s THR 52 CO 0.08 0.55 0.57 0.61 -0.69 0.00 0.00 174.62 175.74 1tzy n GLY 53 N 3.03 0.43 3.14 4.40 0.00 -1.26 -4.88 105.19 110.05 1tzy n GLY 53 Ca -0.18 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 1tzy n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tzy s ILE 54 N -1.70 -0.03 0.61 -0.61 2.07 -1.26 -5.16 121.20 115.12 1tzy s ILE 54 Ca 0.37 0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.56 1tzy s ILE 54 Cb -0.02 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1tzy s ILE 54 CO 0.25 0.05 1.09 -0.94 -1.91 0.00 0.00 174.94 173.47 1tzy s SER 55 N 1.19 5.53 0.19 4.50 1.04 -1.26 -4.83 113.70 120.05 1tzy s SER 55 Ca -0.08 1.95 -0.14 0.00 0.48 0.00 0.00 55.95 58.16 1tzy s SER 55 Cb -0.09 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.67 1tzy s SER 55 CO -0.09 -1.34 1.67 -1.28 0.98 0.00 0.00 173.24 173.18 1tzy h SER 56 N 0.45 -0.31 -0.75 7.02 0.87 -2.01 0.16 113.55 118.98 1tzy h SER 56 Ca -0.47 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1tzy h SER 56 Cb 1.24 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 1tzy h SER 56 CO 0.56 -0.11 0.41 0.11 -0.53 0.00 0.00 176.83 177.27 1tzy h LYS 57 N 0.07 1.05 -0.85 2.24 1.57 -2.00 -2.02 116.57 116.63 1tzy h LYS 57 Ca 0.25 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1tzy h LYS 57 Cb 0.39 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1tzy h LYS 57 CO -0.46 0.78 0.44 0.00 -0.57 0.00 0.00 179.45 179.65 1tzy h ALA 58 N 1.21 1.17 -0.80 3.86 0.00 -1.84 -1.94 119.26 120.92 1tzy h ALA 58 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1tzy h ALA 58 Cb 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1tzy h ALA 58 CO -0.04 0.65 0.53 1.98 0.00 0.00 0.00 179.25 182.37 1tzy h MET 59 N 1.20 1.04 -0.59 0.00 1.85 -0.36 -0.84 114.93 117.24 1tzy h MET 59 Ca 0.30 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.30 1tzy h MET 59 Cb 0.06 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 31.83 1tzy h MET 59 CO -0.04 0.69 0.28 0.78 -0.40 0.00 0.00 176.91 178.22 1tzy h GLY 60 N 1.08 0.91 1.00 1.39 0.00 -0.81 0.16 103.07 106.79 1tzy h GLY 60 Ca 0.30 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1tzy h GLY 60 CO -0.07 0.43 0.35 -2.22 0.00 0.00 0.00 176.54 175.03 1tzy h ILE 61 N 0.80 1.13 -0.69 2.60 2.04 -0.89 -1.66 117.51 120.85 1tzy h ILE 61 Ca 0.20 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1tzy h ILE 61 Cb 0.12 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1tzy h ILE 61 CO -0.03 0.13 0.17 0.24 0.00 0.00 0.00 178.15 178.67 1tzy h MET 62 N 0.71 1.09 -0.86 2.37 2.86 -0.60 -1.36 114.93 119.14 1tzy h MET 62 Ca 0.19 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1tzy h MET 62 Cb -0.08 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 1tzy h MET 62 CO -0.04 0.97 0.44 -0.91 1.06 0.00 0.00 176.91 178.42 1tzy h ASN 63 N 1.02 1.10 -0.90 1.22 2.35 -0.53 -1.98 115.58 117.86 1tzy h ASN 63 Ca 0.22 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1tzy h ASN 63 Cb 0.36 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 1tzy h ASN 63 CO 0.00 0.91 0.59 0.28 -1.65 0.00 0.00 177.43 177.56 1tzy h SER 64 N 1.21 1.00 0.06 5.81 0.02 -0.85 -2.27 113.55 118.53 1tzy h SER 64 Ca 0.30 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1tzy h SER 64 Cb 0.07 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 1tzy h SER 64 CO -0.04 0.71 -0.03 0.15 -1.14 0.00 0.00 176.83 176.47 1tzy h PHE 65 N 1.18 -0.09 -0.59 3.45 3.57 -0.97 0.06 116.94 123.55 1tzy h PHE 65 Ca 0.34 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1tzy h PHE 65 Cb -0.07 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1tzy h PHE 65 CO -0.01 -0.05 0.24 0.28 -2.23 0.00 0.00 178.31 176.54 1tzy h VAL 66 N -0.09 1.23 -0.39 1.41 2.07 -1.20 -1.30 116.25 117.97 1tzy h VAL 66 Ca -0.01 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1tzy h VAL 66 Cb 0.07 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1tzy h VAL 66 CO 0.01 0.27 0.10 0.78 0.02 0.00 0.00 177.57 178.75 1tzy h ASN 67 N 0.82 0.59 0.04 0.57 2.35 -1.25 -0.80 115.58 117.90 1tzy h ASN 67 Ca 0.20 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1tzy h ASN 67 Cb 0.19 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1tzy h ASN 67 CO -0.02 0.66 -0.31 -0.78 -1.65 0.00 0.00 177.43 175.33 1tzy h ASP 68 N 0.49 -0.92 -0.63 5.81 -0.00 -0.60 -0.80 116.42 119.77 1tzy h ASP 68 Ca 0.12 0.12 -0.09 0.00 -0.00 0.00 0.00 57.03 57.18 1tzy h ASP 68 Cb 0.29 0.37 -0.02 0.00 -0.00 0.00 0.00 39.33 39.97 1tzy h ASP 68 CO -0.00 -0.38 0.06 0.40 -0.00 0.00 0.00 179.24 179.32 1tzy h ILE 69 N -0.48 1.26 -0.15 2.25 1.08 -1.15 0.54 117.51 120.86 1tzy h ILE 69 Ca 0.05 -1.08 0.05 0.00 -0.39 0.00 0.00 64.86 63.49 1tzy h ILE 69 Cb 0.55 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1tzy h ILE 69 CO -0.24 0.40 -0.23 0.15 -0.69 0.00 0.00 178.15 177.54 1tzy h PHE 70 N 1.00 -0.62 -0.48 1.37 3.04 -1.02 -1.47 116.94 118.76 1tzy h PHE 70 Ca 0.19 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.17 1tzy h PHE 70 Cb 0.49 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1tzy h PHE 70 CO 0.03 -0.31 0.30 0.93 -2.02 0.00 0.00 178.31 177.24 1tzy h GLU 71 N -0.29 0.64 -0.15 1.11 5.08 -0.73 -0.74 114.58 119.50 1tzy h GLU 71 Ca 0.11 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1tzy h GLU 71 Cb 0.44 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1tzy h GLU 71 CO -0.31 0.45 0.04 0.00 -1.00 0.00 0.00 179.01 178.18 1tzy h ARG 72 N 0.64 0.10 -0.24 2.33 3.08 -0.56 -1.18 114.38 118.55 1tzy h ARG 72 Ca 0.17 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1tzy h ARG 72 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1tzy h ARG 72 CO -0.03 0.07 -0.16 0.82 -1.07 0.00 0.00 179.97 179.60 1tzy h ILE 73 N 0.10 1.31 -0.60 2.04 2.04 -1.04 -1.96 117.51 119.41 1tzy h ILE 73 Ca 0.07 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1tzy h ILE 73 Cb 0.06 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1tzy h ILE 73 CO -0.09 0.39 0.27 0.00 0.00 0.00 0.00 178.15 178.73 1tzy h ALA 74 N 0.70 0.77 -0.13 1.87 0.00 -1.14 0.19 119.26 121.53 1tzy h ALA 74 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1tzy h ALA 74 Cb 0.68 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1tzy h ALA 74 CO 0.04 0.35 -0.19 0.78 0.00 0.00 0.00 179.25 180.24 1tzy h GLY 75 N 0.82 -0.16 1.31 0.00 0.00 -1.15 -0.16 103.07 103.73 1tzy h GLY 75 Ca 0.20 0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 1tzy h GLY 75 CO -0.02 -0.18 -0.14 -2.09 0.00 0.00 0.00 176.54 174.11 1tzy h GLU 76 N -0.24 0.81 -0.80 4.80 4.57 -1.12 -1.76 114.58 120.84 1tzy h GLU 76 Ca 0.10 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1tzy h GLU 76 Cb 0.39 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1tzy h GLU 76 CO -0.27 0.91 0.44 0.00 -1.18 0.00 0.00 179.01 178.91 1tzy h ALA 77 N 1.11 1.28 -0.32 2.92 0.00 -0.68 0.03 119.26 123.60 1tzy h ALA 77 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1tzy h ALA 77 Cb 0.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1tzy h ALA 77 CO 0.05 0.59 0.01 1.03 0.00 0.00 0.00 179.25 180.93 1tzy h SER 78 N 1.11 0.54 -0.40 0.00 0.87 -0.77 -2.05 113.55 112.85 1tzy h SER 78 Ca 0.28 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1tzy h SER 78 Cb 0.01 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 1tzy h SER 78 CO -0.05 0.70 0.10 0.03 -0.53 0.00 0.00 176.83 177.08 1tzy h ARG 79 N 0.35 0.22 -0.34 2.24 3.08 -0.72 -0.54 114.38 118.67 1tzy h ARG 79 Ca 0.09 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1tzy h ARG 79 Cb 0.42 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1tzy h ARG 79 CO 0.01 0.15 0.21 -0.07 -1.07 0.00 0.00 179.97 179.20 1tzy h LEU 80 N 0.23 0.35 -0.26 3.04 3.38 -0.88 0.86 115.31 122.04 1tzy h LEU 80 Ca 0.19 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1tzy h LEU 80 Cb 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1tzy h LEU 80 CO -0.23 0.25 0.14 0.00 0.09 0.00 0.00 178.44 178.69 1tzy h ALA 81 N 1.14 0.32 -0.45 1.53 0.00 -1.10 -1.95 119.26 118.75 1tzy h ALA 81 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1tzy h ALA 81 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1tzy h ALA 81 CO -0.05 -0.25 0.20 1.25 0.00 0.00 0.00 179.25 180.40 1tzy h HIS 82 N 0.29 0.66 -1.00 0.00 -0.00 -0.79 0.10 115.15 114.42 1tzy h HIS 82 Ca 0.10 -0.04 0.10 0.00 -0.00 0.00 0.00 60.37 60.54 1tzy h HIS 82 Cb 0.01 -0.20 -0.08 0.00 -0.00 0.00 0.00 27.41 27.14 1tzy h HIS 82 CO -0.09 0.55 0.63 -0.92 -0.00 0.00 0.00 177.93 178.11 1tzy h TYR 83 N 0.58 1.16 -0.51 5.26 3.20 -0.71 -1.78 116.97 124.18 1tzy h TYR 83 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1tzy h TYR 83 Cb 0.15 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1tzy h TYR 83 CO -0.00 0.51 0.00 0.09 -1.64 0.00 0.00 178.16 177.11 1tzy n ASN 84 N -4.58 3.30 -3.60 -2.11 4.13 -0.74 -4.95 115.26 106.70 1tzy n ASN 84 Ca 0.18 -1.97 -0.23 0.00 1.68 0.00 0.00 54.58 54.24 1tzy n ASN 84 Cb 0.30 -0.33 0.07 0.00 -1.54 0.00 0.00 39.78 38.28 1tzy n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1tzy n LYS 85 N 1.34 -7.08 -4.43 3.52 5.02 -0.25 -4.97 118.16 111.31 1tzy n LYS 85 Ca 0.20 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.94 1tzy n LYS 85 Cb 0.55 -5.78 -0.10 0.00 -0.02 0.00 0.00 35.03 29.68 1tzy n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1tzy s ARG 86 N -6.07 3.09 0.29 1.97 1.81 0.20 -5.01 118.95 115.23 1tzy s ARG 86 Ca 0.39 -0.46 0.20 0.00 -1.72 0.00 0.00 55.73 54.15 1tzy s ARG 86 Cb -0.18 -2.78 0.12 0.00 -0.45 0.00 0.00 34.95 31.66 1tzy s ARG 86 CO 0.75 0.59 1.31 0.66 -0.68 0.00 0.00 175.30 177.93 1tzy h SER 87 N 5.52 0.00 -3.42 0.23 4.64 -1.93 -3.39 113.55 115.19 1tzy h SER 87 Ca -0.46 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.20 1tzy h SER 87 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 1tzy h SER 87 CO 0.56 0.19 -0.70 -0.89 -0.87 0.00 0.00 176.83 175.12 1tzy s THR 88 N -3.16 3.63 -0.27 2.95 2.01 -1.26 -5.10 115.64 114.44 1tzy s THR 88 Ca 0.03 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1tzy s THR 88 Cb 0.07 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 70.04 1tzy s THR 88 CO 0.74 0.53 0.86 -0.63 -0.69 0.00 0.00 174.62 175.43 1tzy s ILE 89 N 0.01 4.77 0.48 1.82 1.01 -1.26 -4.90 121.20 123.13 1tzy s ILE 89 Ca -0.01 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.19 1tzy s ILE 89 Cb -0.14 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 1tzy s ILE 89 CO 0.03 -0.20 0.28 0.42 0.00 0.00 0.00 174.94 175.48 1tzy s THR 90 N 3.02 1.93 0.54 2.92 -4.23 -1.26 -5.01 115.64 113.55 1tzy s THR 90 Ca 0.36 -1.60 0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1tzy s THR 90 Cb -0.14 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.56 1tzy s THR 90 CO 0.10 0.00 2.01 0.77 -0.54 0.00 0.00 174.62 176.96 1tzy h SER 91 N 1.07 0.00 -0.76 3.99 4.64 -1.99 -1.70 113.55 118.80 1tzy h SER 91 Ca -0.40 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1tzy h SER 91 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1tzy h SER 91 CO 0.63 0.00 0.27 -0.09 -0.87 0.00 0.00 176.83 176.77 1tzy h ARG 92 N 0.00 1.16 -0.51 4.77 2.43 -1.99 -1.63 114.38 118.61 1tzy h ARG 92 Ca 0.22 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1tzy h ARG 92 Cb 0.93 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1tzy h ARG 92 CO -0.00 0.97 -0.12 0.93 -1.51 0.00 0.00 179.97 180.24 1tzy h GLU 93 N 1.13 0.97 -0.69 0.20 3.07 -1.70 -1.70 114.58 115.85 1tzy h GLU 93 Ca 0.25 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1tzy h GLU 93 Cb 0.27 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1tzy h GLU 93 CO -0.01 1.04 0.33 0.82 -1.40 0.00 0.00 179.01 179.78 1tzy h ILE 94 N 0.83 1.23 -0.09 3.13 1.08 -1.28 -1.77 117.51 120.65 1tzy h ILE 94 Ca 0.13 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1tzy h ILE 94 Cb 0.68 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1tzy h ILE 94 CO 0.05 0.27 -0.01 -0.61 -0.69 0.00 0.00 178.15 177.17 1tzy h GLN 95 N 0.97 0.17 -0.55 2.37 4.15 -1.10 -0.62 115.11 120.50 1tzy h GLN 95 Ca 0.24 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.63 1tzy h GLN 95 Cb 0.13 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1tzy h GLN 95 CO -0.03 0.44 0.32 1.15 -1.93 0.00 0.00 178.83 178.78 1tzy h THR 96 N -0.13 1.04 -0.42 2.39 2.02 -1.32 -0.83 112.91 115.67 1tzy h THR 96 Ca 0.03 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.06 1tzy h THR 96 Cb 0.37 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 1tzy h THR 96 CO 0.01 0.12 0.04 0.00 0.37 0.00 0.00 175.52 176.05 1tzy h ALA 97 N 1.25 0.42 -0.66 6.16 0.00 -1.16 -0.34 119.26 124.93 1tzy h ALA 97 Ca 0.22 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1tzy h ALA 97 Cb 0.04 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1tzy h ALA 97 CO -0.11 -0.36 0.40 0.28 0.00 0.00 0.00 179.25 179.46 1tzy h VAL 98 N 0.15 1.04 -0.47 0.00 2.07 -0.52 -0.88 116.25 117.65 1tzy h VAL 98 Ca 0.20 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1tzy h VAL 98 Cb 0.28 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1tzy h VAL 98 CO -0.31 0.14 -0.02 0.03 0.02 0.00 0.00 177.57 177.43 1tzy h ARG 99 N 0.76 0.78 -0.37 1.57 3.08 -0.54 -1.91 114.38 117.74 1tzy h ARG 99 Ca 0.28 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1tzy h ARG 99 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1tzy h ARG 99 CO -0.13 0.80 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.27 1tzy h LEU 100 N 0.72 0.85 0.00 3.04 3.38 -0.78 -3.37 115.31 119.15 1tzy h LEU 100 Ca 0.14 -0.42 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 1tzy h LEU 100 Cb 0.47 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1tzy h LEU 100 CO 0.02 1.09 -1.32 -0.07 0.09 0.00 0.00 178.44 178.25 1tzy h LEU 101 N 0.61 0.00-10.02 1.67 3.38 -0.95 -3.47 115.31 106.52 1tzy h LEU 101 Ca 0.08 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.49 1tzy h LEU 101 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1tzy h LEU 101 CO 0.06 0.82 -0.39 -0.76 0.09 0.00 0.00 178.44 178.26 1tzy s LEU 102 N -6.18 4.28 0.69 1.67 1.02 -0.74 -5.08 118.68 114.35 1tzy s LEU 102 Ca -0.02 0.34 -0.15 0.00 0.02 0.00 0.00 54.13 54.32 1tzy s LEU 102 Cb 0.09 -3.08 0.02 0.00 0.02 0.00 0.00 46.19 43.23 1tzy s LEU 102 CO 0.81 0.02 1.14 -2.16 0.02 0.00 0.00 176.35 176.18 1tzy s PRO 103 N -3.11 2.55 0.25 1.29 0.04 -1.26 -4.64 135.00 130.11 1tzy s PRO 103 Ca 0.37 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1tzy s PRO 103 Cb -0.11 -1.91 0.41 0.00 0.04 0.00 0.00 34.50 32.93 1tzy s PRO 103 CO 0.28 -1.46 1.83 0.78 0.04 0.00 0.00 177.00 178.47 1tzy h GLY 104 N -0.17 1.38 0.75 0.56 0.00 -1.98 0.18 103.07 103.80 1tzy h GLY 104 Ca -0.47 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.36 1tzy h GLY 104 CO 0.52 0.19 -0.47 -2.09 0.00 0.00 0.00 176.54 174.69 1tzy h GLU 105 N 0.92 0.40 -0.40 4.80 4.81 -2.01 -2.06 114.58 121.04 1tzy h GLU 105 Ca 0.42 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1tzy h GLU 105 Cb 0.32 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1tzy h GLU 105 CO -0.22 1.02 0.09 1.25 -0.73 0.00 0.00 179.01 180.42 1tzy h LEU 106 N -0.10 0.54 -1.05 1.64 5.85 -1.82 -2.25 115.31 118.12 1tzy h LEU 106 Ca -0.05 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1tzy h LEU 106 Cb 1.15 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1tzy h LEU 106 CO 0.09 0.55 0.44 0.00 -0.34 0.00 0.00 178.44 179.18 1tzy h ALA 107 N 1.53 1.28 -0.40 1.25 0.00 -0.39 -1.76 119.26 120.77 1tzy h ALA 107 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tzy h ALA 107 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1tzy h ALA 107 CO -0.00 0.59 0.25 0.87 0.00 0.00 0.00 179.25 180.96 1tzy h LYS 108 N 1.10 0.53 -0.43 0.00 1.57 -0.76 -0.48 116.57 118.11 1tzy h LYS 108 Ca 0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1tzy h LYS 108 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1tzy h LYS 108 CO -0.05 0.38 0.22 0.45 -0.57 0.00 0.00 179.45 179.88 1tzy h HIS 109 N 0.53 0.61 -0.49 -1.35 3.86 -1.34 -2.31 115.15 114.67 1tzy h HIS 109 Ca 0.14 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1tzy h HIS 109 Cb -0.03 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1tzy h HIS 109 CO -0.04 0.49 0.25 0.00 0.86 0.00 0.00 177.93 179.49 1tzy h ALA 110 N 1.07 0.63 -0.70 2.45 0.00 -1.01 -0.01 119.26 121.69 1tzy h ALA 110 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tzy h ALA 110 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1tzy h ALA 110 CO -0.02 0.17 0.41 0.28 0.00 0.00 0.00 179.25 180.08 1tzy h VAL 111 N 0.65 1.21 -0.58 0.00 2.07 -1.05 0.84 116.25 119.39 1tzy h VAL 111 Ca 0.17 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1tzy h VAL 111 Cb 0.08 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1tzy h VAL 111 CO -0.02 0.22 0.21 -1.28 0.02 0.00 0.00 177.57 176.72 1tzy h SER 112 N 0.95 0.81 -0.49 0.57 0.87 -0.99 -0.87 113.55 114.40 1tzy h SER 112 Ca 0.25 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1tzy h SER 112 Cb -0.01 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1tzy h SER 112 CO -0.04 0.77 0.14 -0.33 -0.53 0.00 0.00 176.83 176.84 1tzy h GLU 113 N 0.80 0.77 -0.14 2.24 4.39 -0.68 -1.58 114.58 120.38 1tzy h GLU 113 Ca 0.19 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1tzy h GLU 113 Cb 0.23 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1tzy h GLU 113 CO -0.01 0.73 0.08 0.78 -1.16 0.00 0.00 179.01 179.43 1tzy h GLY 114 N 0.67 0.21 0.73 -3.84 0.00 -0.65 -2.10 103.07 98.08 1tzy h GLY 114 Ca 0.16 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1tzy h GLY 114 CO -0.00 0.09 0.20 -0.84 0.00 0.00 0.00 176.54 175.99 1tzy h THR 115 N 0.13 0.94 -0.51 4.70 2.02 -1.12 -1.66 112.91 117.41 1tzy h THR 115 Ca 0.05 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1tzy h THR 115 Cb 0.07 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1tzy h THR 115 CO -0.01 0.07 0.32 0.11 0.37 0.00 0.00 175.52 176.39 1tzy h LYS 116 N 0.41 0.69 -0.32 6.66 1.57 -1.19 -0.56 116.57 123.83 1tzy h LYS 116 Ca 0.19 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1tzy h LYS 116 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1tzy h LYS 116 CO -0.15 0.48 0.14 0.00 -0.57 0.00 0.00 179.45 179.35 1tzy h ALA 117 N 1.16 0.42 -0.58 3.86 0.00 -1.13 -1.02 119.26 121.98 1tzy h ALA 117 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1tzy h ALA 117 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1tzy h ALA 117 CO -0.04 0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.65 1tzy h VAL 118 N 0.38 1.25 0.03 0.00 2.07 -1.03 0.01 116.25 118.95 1tzy h VAL 118 Ca 0.11 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1tzy h VAL 118 Cb 0.17 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1tzy h VAL 118 CO -0.01 0.33 -0.21 0.74 0.02 0.00 0.00 177.57 178.44 1tzy h THR 119 N 0.84 0.52 -0.47 2.57 2.02 -0.97 -0.73 112.91 116.68 1tzy h THR 119 Ca 0.18 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.38 1tzy h THR 119 Cb 0.35 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1tzy h THR 119 CO 0.00 0.00 0.28 0.11 0.37 0.00 0.00 175.52 176.28 1tzy h LYS 120 N -0.35 0.55 -0.54 6.66 1.57 -0.97 -1.44 116.57 122.05 1tzy h LYS 120 Ca 0.05 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1tzy h LYS 120 Cb 0.41 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1tzy h LYS 120 CO -0.17 0.36 0.36 -0.92 -0.57 0.00 0.00 179.45 178.51 1tzy h TYR 121 N 0.57 0.67 0.20 -1.35 5.03 -0.81 -2.98 116.97 118.31 1tzy h TYR 121 Ca 0.19 0.02 -0.31 0.00 2.58 0.00 0.00 58.73 61.20 1tzy h TYR 121 Cb 0.01 -0.23 0.02 0.00 1.55 0.00 0.00 36.73 38.08 1tzy h TYR 121 CO -0.07 0.42 -1.37 1.15 -1.32 0.00 0.00 178.16 176.97 1tzy h THR 122 N 0.73 1.38 0.00 1.81 2.02 -0.80 -3.24 112.91 114.79 1tzy h THR 122 Ca 0.20 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1tzy h THR 122 Cb -0.07 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1tzy h THR 122 CO -0.04 0.85 0.00 -1.20 0.37 0.00 0.00 175.52 175.49 1tzy n SER 123 N -3.64 0.00 0.00 4.18 7.64 -0.57 -2.71 113.62 118.52 1tzy n SER 123 Ca -0.13 0.31 0.02 0.00 1.01 0.00 0.00 58.87 60.08 1tzy n SER 123 Cb 1.07 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 64.38 1tzy n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1tzy n SER 124 N -0.41 0.00 0.00 6.43 7.64 -1.22 -5.12 113.62 120.94 1tzy n SER 124 Ca 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1tzy n SER 124 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tzy n SER 124 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32