#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 3.49 0.30 5.56 -0.14 -1.26 -5.05 119.74 122.64 1tzy s LYS 34 Ca 0.00 0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.36 1tzy s LYS 34 Cb 0.00 -2.44 -0.11 0.00 -1.68 0.00 0.00 37.83 33.59 1tzy s LYS 34 CO 0.00 -0.14 1.60 -2.00 -0.76 0.00 0.00 175.35 174.05 1tzy s GLU 35 N -4.65 4.11 -0.06 1.68 2.56 -1.26 -5.01 118.70 116.07 1tzy s GLU 35 Ca 0.46 2.59 -0.16 0.00 0.00 0.00 0.00 54.97 57.86 1tzy s GLU 35 Cb -0.10 -3.02 -0.05 0.00 2.00 0.00 0.00 34.13 32.96 1tzy s GLU 35 CO 0.43 -0.64 0.43 0.45 -0.56 0.00 0.00 175.26 175.37 1tzy s SER 36 N 0.48 6.73 -0.12 -1.70 0.15 -1.26 -4.91 113.70 113.07 1tzy s SER 36 Ca 0.63 0.86 0.16 0.00 0.70 0.00 0.00 55.95 58.30 1tzy s SER 36 Cb -0.48 -2.26 0.31 0.00 -1.71 0.00 0.00 66.02 61.87 1tzy s SER 36 CO 0.49 0.16 1.19 -1.22 1.20 0.00 0.00 173.24 175.06 1tzy n TYR 37 N 2.80 0.21 -0.22 3.44 4.01 -1.26 -4.88 117.16 121.26 1tzy n TYR 37 Ca -0.11 -0.90 0.01 0.00 -0.16 0.00 0.00 57.90 56.75 1tzy n TYR 37 Cb 0.52 -0.17 0.12 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.45 0.29 -0.80 7.72 0.02 -1.93 -0.67 113.55 118.63 1tzy h SER 38 Ca 0.00 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1tzy h SER 38 Cb 1.02 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 1tzy h SER 38 CO 0.05 0.16 0.51 0.40 -1.14 0.00 0.00 176.83 176.81 1tzy h ILE 39 N 0.46 1.12 -0.19 3.27 1.08 -2.00 -0.66 117.51 120.59 1tzy h ILE 39 Ca 0.33 -0.34 -0.22 0.00 -0.39 0.00 0.00 64.86 64.24 1tzy h ILE 39 Cb 0.39 0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1tzy h ILE 39 CO -0.30 0.18 -0.73 1.88 -0.69 0.00 0.00 178.15 178.48 1tzy h TYR 40 N 0.99 1.09 -0.54 1.37 0.05 -1.66 -2.01 116.97 116.25 1tzy h TYR 40 Ca 0.32 -0.46 -0.06 0.00 0.05 0.00 0.00 58.73 58.58 1tzy h TYR 40 Cb 0.02 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1tzy h TYR 40 CO -0.03 1.30 0.09 -0.24 -1.05 0.00 0.00 178.16 178.23 1tzy h VAL 41 N 0.58 1.24 -0.49 -2.88 3.04 -0.75 -1.63 116.25 115.36 1tzy h VAL 41 Ca -0.04 -0.91 0.09 0.00 -1.01 0.00 0.00 66.70 64.83 1tzy h VAL 41 Cb 1.36 0.73 -0.07 0.00 -2.01 0.00 0.00 31.29 31.29 1tzy h VAL 41 CO 0.15 0.33 0.06 1.88 -1.01 0.00 0.00 177.57 178.99 1tzy h TYR 42 N 0.82 0.09 -0.38 3.17 0.99 -0.98 -0.57 116.97 120.11 1tzy h TYR 42 Ca 0.17 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.89 1tzy h TYR 42 Cb 0.37 0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.12 1tzy h TYR 42 CO 0.02 -0.05 0.06 0.87 -0.00 0.00 0.00 178.16 179.07 1tzy h LYS 43 N 0.19 0.62 -0.88 4.88 1.57 -0.98 -1.49 116.57 120.47 1tzy h LYS 43 Ca 0.25 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1tzy h LYS 43 Cb 0.35 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1tzy h LYS 43 CO -0.35 0.68 0.48 0.28 -0.57 0.00 0.00 179.45 179.96 1tzy h VAL 44 N 0.46 1.26 -0.67 0.50 2.07 -1.17 -1.84 116.25 116.86 1tzy h VAL 44 Ca 0.11 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1tzy h VAL 44 Cb 0.36 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1tzy h VAL 44 CO 0.01 0.29 0.25 0.25 0.02 0.00 0.00 177.57 178.38 1tzy h LEU 45 N 1.23 0.92 -0.82 2.57 5.85 -0.68 -1.94 115.31 122.44 1tzy h LEU 45 Ca 0.31 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1tzy h LEU 45 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1tzy h LEU 45 CO -0.05 0.83 -0.29 0.11 -0.34 0.00 0.00 178.44 178.70 1tzy h LYS 46 N 0.97 0.55 -0.26 1.25 1.57 -0.72 0.21 116.57 120.14 1tzy h LYS 46 Ca 0.22 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1tzy h LYS 46 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1tzy h LYS 46 CO -0.02 0.79 -0.17 1.96 -0.57 0.00 0.00 179.45 181.44 1tzy h GLN 47 N 0.48 0.45 0.01 3.15 4.20 -0.94 -3.09 115.11 119.38 1tzy h GLN 47 Ca 0.06 -0.14 -0.34 0.00 0.06 0.00 0.00 58.65 58.29 1tzy h GLN 47 Cb 0.75 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.43 1tzy h GLN 47 CO 0.06 0.61 -2.06 1.55 -0.67 0.00 0.00 178.83 178.31 1tzy n VAL 48 N -4.18 1.54 -3.15 -0.54 3.14 -0.77 -4.72 118.33 109.65 1tzy n VAL 48 Ca 0.00 -0.78 -0.19 0.00 -2.96 0.00 0.00 64.34 60.42 1tzy n VAL 48 Cb 0.34 -0.95 -0.06 0.00 -1.06 0.00 0.00 33.84 32.12 1tzy n VAL 48 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1tzy n HIS 49 N -3.01 -1.97 -0.04 1.45 8.25 0.69 -5.01 115.22 115.59 1tzy n HIS 49 Ca -0.27 -2.62 0.02 0.00 -0.26 0.00 0.00 57.72 54.59 1tzy n HIS 49 Cb 1.08 0.69 0.35 0.00 1.12 0.00 0.00 29.99 33.23 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 5.28 0.62 -1.51 -0.41 0.11 -1.67 -1.62 132.00 132.80 1tzy h PRO 50 Ca 0.18 -0.06 0.44 0.00 0.11 0.00 0.00 66.00 66.66 1tzy h PRO 50 Cb 0.98 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 1tzy h PRO 50 CO 0.25 0.48 1.14 0.38 -0.21 0.00 0.00 178.00 180.04 1tzy h ASP 51 N 0.62 0.00 -3.93 -2.05 -0.00 -1.91 -3.47 116.42 105.69 1tzy h ASP 51 Ca 0.16 0.00 -0.44 0.00 -0.00 0.00 0.00 57.03 56.75 1tzy h ASP 51 Cb 0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 39.33 39.08 1tzy h ASP 51 CO -0.02 0.00 -0.79 0.28 -0.00 0.00 0.00 179.24 178.70 1tzy s THR 52 N -4.84 0.86 0.23 1.15 -1.32 -0.61 -5.14 115.64 105.98 1tzy s THR 52 Ca -0.05 -0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 59.98 1tzy s THR 52 Cb 0.24 -0.75 0.05 0.00 -1.51 0.00 0.00 72.50 70.53 1tzy s THR 52 CO 0.80 0.26 0.32 0.61 -2.21 0.00 0.00 174.62 174.40 1tzy n GLY 53 N 3.10 -0.36 3.34 6.08 0.00 -1.26 -4.86 105.19 111.23 1tzy n GLY 53 Ca -0.16 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.28 -0.06 0.87 -0.61 2.07 -1.26 -5.16 121.20 115.77 1tzy s ILE 54 Ca 0.19 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.39 1tzy s ILE 54 Cb -0.01 -0.69 0.11 0.00 0.13 0.00 0.00 42.46 42.00 1tzy s ILE 54 CO 0.13 0.03 1.10 -0.94 -1.91 0.00 0.00 174.94 173.35 1tzy s SER 55 N 1.52 3.79 0.36 4.50 1.04 -1.26 -4.83 113.70 118.82 1tzy s SER 55 Ca -0.09 1.38 0.17 0.00 0.48 0.00 0.00 55.95 57.89 1tzy s SER 55 Cb -0.08 -2.07 0.65 0.00 0.10 0.00 0.00 66.02 64.61 1tzy s SER 55 CO -0.14 -2.43 1.73 0.77 0.98 0.00 0.00 173.24 174.15 1tzy h SER 56 N -1.40 0.00 -0.40 7.02 4.64 -2.02 -0.92 113.55 120.47 1tzy h SER 56 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 1tzy h SER 56 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1tzy h SER 56 CO 0.57 0.42 0.02 0.11 -0.87 0.00 0.00 176.83 177.08 1tzy h LYS 57 N 0.00 0.70 -0.49 4.77 6.56 -1.99 -1.57 116.57 124.55 1tzy h LYS 57 Ca -0.00 -0.21 -0.02 0.00 -1.06 0.00 0.00 60.65 59.36 1tzy h LYS 57 Cb 0.89 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.46 1tzy h LYS 57 CO 0.05 0.77 0.24 0.00 -2.06 0.00 0.00 179.45 178.45 1tzy h ALA 58 N 0.90 1.51 -0.33 3.86 0.00 -1.85 -1.81 119.26 121.53 1tzy h ALA 58 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1tzy h ALA 58 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1tzy h ALA 58 CO 0.02 0.40 -0.36 1.98 0.00 0.00 0.00 179.25 181.28 1tzy h MET 59 N 0.68 0.77 -0.78 0.00 1.85 -0.78 -1.67 114.93 115.00 1tzy h MET 59 Ca 0.17 -0.39 0.07 0.00 -0.61 0.00 0.00 59.70 58.95 1tzy h MET 59 Cb 0.07 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.03 1tzy h MET 59 CO -0.02 1.01 0.45 0.78 -0.40 0.00 0.00 176.91 178.73 1tzy h GLY 60 N 0.92 1.19 0.92 1.39 0.00 -0.78 0.12 103.07 106.83 1tzy h GLY 60 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1tzy h GLY 60 CO 0.08 0.17 0.09 -2.22 0.00 0.00 0.00 176.54 174.66 1tzy h ILE 61 N 0.80 1.12 -0.80 2.60 2.04 -0.93 -2.25 117.51 120.09 1tzy h ILE 61 Ca 0.36 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1tzy h ILE 61 Cb 0.26 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1tzy h ILE 61 CO -0.21 0.12 0.42 0.24 0.00 0.00 0.00 178.15 178.72 1tzy h MET 62 N 0.17 1.13 -0.71 2.37 2.86 -0.77 -0.17 114.93 119.81 1tzy h MET 62 Ca 0.06 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1tzy h MET 62 Cb 0.11 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1tzy h MET 62 CO -0.01 0.85 0.23 -0.91 1.06 0.00 0.00 176.91 178.13 1tzy h ASN 63 N 1.13 1.03 -0.56 1.22 2.35 -0.61 -0.90 115.58 119.23 1tzy h ASN 63 Ca 0.28 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1tzy h ASN 63 Cb 0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1tzy h ASN 63 CO -0.04 0.96 0.28 0.28 -1.65 0.00 0.00 177.43 177.25 1tzy h SER 64 N 1.04 0.73 0.14 5.81 0.02 -0.76 -1.55 113.55 118.98 1tzy h SER 64 Ca 0.23 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1tzy h SER 64 Cb 0.29 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1tzy h SER 64 CO -0.01 0.65 -0.19 0.15 -1.14 0.00 0.00 176.83 176.29 1tzy h PHE 65 N 0.76 -0.49 -0.59 3.45 3.57 -0.74 -0.49 116.94 122.41 1tzy h PHE 65 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1tzy h PHE 65 Cb 0.10 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1tzy h PHE 65 CO -0.00 -0.28 0.14 0.28 -2.23 0.00 0.00 178.31 176.21 1tzy h VAL 66 N -0.38 1.25 -0.66 1.41 2.07 -0.91 -1.75 116.25 117.28 1tzy h VAL 66 Ca 0.02 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1tzy h VAL 66 Cb 0.38 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1tzy h VAL 66 CO -0.08 0.34 0.43 0.78 0.02 0.00 0.00 177.57 179.06 1tzy h ASN 67 N 0.85 0.74 0.30 0.57 -0.26 -1.11 -1.57 115.58 115.10 1tzy h ASN 67 Ca 0.18 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1tzy h ASN 67 Cb 0.36 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1tzy h ASN 67 CO 0.00 0.53 -0.14 -0.78 -1.06 0.00 0.00 177.43 175.98 1tzy h ASP 68 N 0.88 -0.34 -0.72 5.81 -0.00 -0.77 -1.19 116.42 120.08 1tzy h ASP 68 Ca 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.27 1tzy h ASP 68 Cb -0.07 0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.31 1tzy h ASP 68 CO -0.07 -0.23 0.42 0.40 -0.00 0.00 0.00 179.24 179.77 1tzy h ILE 69 N -0.41 1.21 -0.12 2.25 1.08 -1.22 -0.33 117.51 119.97 1tzy h ILE 69 Ca -0.04 -0.48 0.04 0.00 -0.39 0.00 0.00 64.86 63.99 1tzy h ILE 69 Cb 0.32 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 1tzy h ILE 69 CO 0.07 0.22 -0.13 0.15 -0.69 0.00 0.00 178.15 177.76 1tzy h PHE 70 N 0.98 -0.34 -0.78 1.37 3.04 -1.20 -1.56 116.94 118.45 1tzy h PHE 70 Ca 0.26 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.22 1tzy h PHE 70 Cb -0.01 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 1tzy h PHE 70 CO -0.01 -0.20 0.48 0.93 -2.02 0.00 0.00 178.31 177.49 1tzy h GLU 71 N -0.17 1.05 -0.29 1.11 5.08 -0.74 0.07 114.58 120.69 1tzy h GLU 71 Ca 0.09 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1tzy h GLU 71 Cb 0.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1tzy h GLU 71 CO -0.22 0.73 0.10 0.00 -1.00 0.00 0.00 179.01 178.61 1tzy h ARG 72 N 1.06 0.45 -0.07 2.33 3.08 -0.67 -0.78 114.38 119.77 1tzy h ARG 72 Ca 0.28 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1tzy h ARG 72 Cb -0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1tzy h ARG 72 CO -0.05 0.49 0.00 0.82 -1.07 0.00 0.00 179.97 180.16 1tzy h ILE 73 N 0.31 1.25 -0.36 2.04 2.04 -1.10 -1.74 117.51 119.94 1tzy h ILE 73 Ca 0.09 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1tzy h ILE 73 Cb 0.23 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1tzy h ILE 73 CO -0.00 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.60 1tzy h ALA 74 N 0.73 0.45 -0.66 1.87 0.00 -1.01 0.19 119.26 120.84 1tzy h ALA 74 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1tzy h ALA 74 Cb 0.34 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1tzy h ALA 74 CO 0.00 -0.09 0.35 0.78 0.00 0.00 0.00 179.25 180.29 1tzy h GLY 75 N 0.48 0.97 1.18 0.00 0.00 -1.09 0.11 103.07 104.73 1tzy h GLY 75 Ca 0.13 -0.23 -0.21 0.00 0.00 0.00 0.00 47.33 47.02 1tzy h GLY 75 CO -0.03 0.12 -0.68 -2.09 0.00 0.00 0.00 176.54 173.85 1tzy h GLU 76 N 0.63 0.82 -0.63 4.80 4.57 -0.92 -2.00 114.58 121.85 1tzy h GLU 76 Ca 0.31 -0.61 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1tzy h GLU 76 Cb 0.24 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 1tzy h GLU 76 CO -0.21 1.22 0.34 0.00 -1.18 0.00 0.00 179.01 179.19 1tzy h ALA 77 N 0.62 1.42 -0.43 2.92 0.00 -0.19 -0.75 119.26 122.85 1tzy h ALA 77 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1tzy h ALA 77 Cb 1.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1tzy h ALA 77 CO 0.14 0.48 0.17 1.03 0.00 0.00 0.00 179.25 181.07 1tzy h SER 78 N 0.88 0.59 -0.75 0.00 0.87 -0.49 -1.67 113.55 112.98 1tzy h SER 78 Ca 0.22 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1tzy h SER 78 Cb 0.03 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1tzy h SER 78 CO -0.04 0.60 0.46 0.03 -0.53 0.00 0.00 176.83 177.36 1tzy h ARG 79 N 0.55 1.01 -0.54 2.24 3.08 -0.86 -1.40 114.38 118.45 1tzy h ARG 79 Ca 0.14 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1tzy h ARG 79 Cb 0.20 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1tzy h ARG 79 CO -0.01 0.70 0.35 -0.07 -1.07 0.00 0.00 179.97 179.87 1tzy h LEU 80 N 1.02 0.63 -0.13 3.04 3.38 -0.83 0.90 115.31 123.32 1tzy h LEU 80 Ca 0.27 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1tzy h LEU 80 Cb -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1tzy h LEU 80 CO -0.05 0.47 0.06 0.00 0.09 0.00 0.00 178.44 179.01 1tzy h ALA 81 N 1.19 0.16 -0.30 1.53 0.00 -1.10 -2.05 119.26 118.69 1tzy h ALA 81 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tzy h ALA 81 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1tzy h ALA 81 CO -0.04 -0.27 0.19 1.25 0.00 0.00 0.00 179.25 180.37 1tzy h HIS 82 N 0.08 0.38 -0.98 0.00 -0.00 -0.88 -0.82 115.15 112.92 1tzy h HIS 82 Ca 0.04 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.58 1tzy h HIS 82 Cb 0.12 -0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.31 1tzy h HIS 82 CO -0.03 0.26 0.59 -0.92 -0.00 0.00 0.00 177.93 177.84 1tzy h TYR 83 N 0.39 1.06 -0.53 5.26 3.20 -0.66 -1.66 116.97 124.04 1tzy h TYR 83 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1tzy h TYR 83 Cb -0.02 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.93 1tzy h TYR 83 CO -0.05 0.30 0.00 0.09 -1.64 0.00 0.00 178.16 176.86 1tzy n ASN 84 N -4.73 3.15 -3.74 -2.11 4.13 -0.78 -4.94 115.26 106.23 1tzy n ASN 84 Ca 0.21 -1.97 -0.23 0.00 1.68 0.00 0.00 54.58 54.26 1tzy n ASN 84 Cb 0.48 -0.35 0.03 0.00 -1.54 0.00 0.00 39.78 38.40 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 1.24 -5.10 -4.55 3.52 5.02 -0.62 -4.98 118.16 112.69 1tzy n LYS 85 Ca 0.20 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.77 1tzy n LYS 85 Cb 0.52 -5.25 -0.11 0.00 -0.02 0.00 0.00 35.03 30.16 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 -6.12 3.03 0.21 1.97 1.81 -0.41 -5.00 118.95 114.43 1tzy s ARG 86 Ca 0.15 -0.53 0.25 0.00 -1.72 0.00 0.00 55.73 53.88 1tzy s ARG 86 Cb -0.08 -2.69 0.55 0.00 -0.45 0.00 0.00 34.95 32.28 1tzy s ARG 86 CO 0.81 0.55 1.56 0.77 -0.68 0.00 0.00 175.30 178.31 1tzy h SER 87 N 5.65 0.00 -3.33 0.23 0.02 -1.94 -3.40 113.55 110.79 1tzy h SER 87 Ca -0.44 -0.07 -0.62 0.00 -0.84 0.00 0.00 61.79 59.82 1tzy h SER 87 Cb 1.18 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.39 1tzy h SER 87 CO 0.55 0.03 -0.85 -0.89 -1.14 0.00 0.00 176.83 174.53 1tzy s THR 88 N -3.15 1.73 -0.28 -2.27 2.01 -1.26 -5.10 115.64 107.32 1tzy s THR 88 Ca 0.08 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 1tzy s THR 88 Cb 0.12 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1tzy s THR 88 CO 0.66 0.49 1.02 -0.63 -0.69 0.00 0.00 174.62 175.47 1tzy s ILE 89 N 0.59 4.62 0.51 1.82 1.01 -1.26 -4.92 121.20 123.58 1tzy s ILE 89 Ca -0.14 1.79 0.05 0.00 0.00 0.00 0.00 60.65 62.34 1tzy s ILE 89 Cb -0.17 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 37.98 1tzy s ILE 89 CO 0.04 -0.32 0.25 0.42 0.00 0.00 0.00 174.94 175.34 1tzy s THR 90 N 3.36 1.64 0.58 2.92 -4.23 -1.26 -5.00 115.64 113.66 1tzy s THR 90 Ca 0.43 -1.67 0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1tzy s THR 90 Cb -0.14 -2.31 0.36 0.00 1.34 0.00 0.00 72.50 71.76 1tzy s THR 90 CO 0.11 0.00 2.09 0.77 -0.54 0.00 0.00 174.62 177.05 1tzy h SER 91 N 1.04 0.00 -0.70 3.99 4.64 -1.99 -0.91 113.55 119.61 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 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1tzy h SER 91 CO 0.64 0.00 0.23 -0.09 -0.87 0.00 0.00 176.83 176.74 1tzy h ARG 92 N 0.00 1.09 -0.30 4.77 2.43 -1.99 -0.34 114.38 120.05 1tzy h ARG 92 Ca 0.09 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 1tzy h ARG 92 Cb 0.51 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1tzy h ARG 92 CO -0.00 0.93 -0.39 0.93 -1.51 0.00 0.00 179.97 179.92 1tzy h GLU 93 N 1.05 0.71 -0.38 0.20 3.07 -1.56 -1.24 114.58 116.43 1tzy h GLU 93 Ca 0.23 -0.36 -0.08 0.00 -0.50 0.00 0.00 59.36 58.65 1tzy h GLU 93 Cb 0.28 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1tzy h GLU 93 CO -0.01 0.98 -0.08 0.82 -1.40 0.00 0.00 179.01 179.31 1tzy h ILE 94 N 0.58 1.27 -0.13 3.13 1.08 -1.19 -0.74 117.51 121.52 1tzy h ILE 94 Ca 0.05 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1tzy h ILE 94 Cb 0.93 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1tzy h ILE 94 CO 0.08 0.38 0.08 -0.61 -0.69 0.00 0.00 178.15 177.39 1tzy h GLN 95 N 0.53 0.17 -0.80 2.37 4.15 -0.94 -0.41 115.11 120.18 1tzy h GLN 95 Ca 0.10 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1tzy h GLN 95 Cb 0.59 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1tzy h GLN 95 CO 0.04 0.16 0.37 1.15 -1.93 0.00 0.00 178.83 178.61 1tzy h THR 96 N 0.13 1.25 -0.79 2.39 2.02 -1.13 -1.84 112.91 114.96 1tzy h THR 96 Ca 0.04 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1tzy h THR 96 Cb 0.03 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 1tzy h THR 96 CO -0.01 0.31 0.49 0.00 0.37 0.00 0.00 175.52 176.68 1tzy h ALA 97 N 1.19 1.04 -0.49 6.16 0.00 -0.84 -0.35 119.26 125.97 1tzy h ALA 97 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1tzy h ALA 97 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1tzy h ALA 97 CO -0.03 0.28 0.25 0.28 0.00 0.00 0.00 179.25 180.03 1tzy h VAL 98 N 0.95 1.18 -0.57 0.00 2.07 -0.68 0.52 116.25 119.72 1tzy h VAL 98 Ca 0.32 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1tzy h VAL 98 Cb 0.06 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1tzy h VAL 98 CO -0.13 0.20 0.12 0.03 0.02 0.00 0.00 177.57 177.81 1tzy h ARG 99 N 0.65 0.93 -0.60 1.57 3.08 -0.63 -0.43 114.38 118.95 1tzy h ARG 99 Ca 0.17 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1tzy h ARG 99 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1tzy h ARG 99 CO -0.02 0.88 0.06 -0.07 -1.07 0.00 0.00 179.97 179.74 1tzy h LEU 100 N 0.83 0.96 0.00 3.04 3.38 -0.75 -3.34 115.31 119.42 1tzy h LEU 100 Ca 0.18 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1tzy h LEU 100 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1tzy h LEU 100 CO 0.01 0.98 -1.68 0.18 0.09 0.00 0.00 178.44 178.01 1tzy n LEU 101 N -4.21 0.60 -4.73 1.67 4.77 0.15 -4.89 117.00 110.36 1tzy n LEU 101 Ca 0.04 0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.95 1tzy n LEU 101 Cb 0.30 0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1tzy n LEU 101 CO 0.43 0.21 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.65 1tzy s LEU 102 N -5.59 3.70 0.28 2.23 1.02 -0.20 -5.07 118.68 115.05 1tzy s LEU 102 Ca -0.05 0.07 -0.28 0.00 0.02 0.00 0.00 54.13 53.89 1tzy s LEU 102 Cb 0.09 -2.13 -0.09 0.00 0.02 0.00 0.00 46.19 44.07 1tzy s LEU 102 CO 0.83 0.28 0.96 -2.16 0.02 0.00 0.00 176.35 176.27 1tzy s PRO 103 N -1.63 4.72 4.87 1.29 0.04 -1.26 -4.45 135.00 138.58 1tzy s PRO 103 Ca 0.21 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1tzy s PRO 103 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1tzy s PRO 103 CO 0.12 0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.96 1tzy n GLY 104 N 1.11 3.44 0.17 0.56 0.00 -1.26 -1.80 105.19 107.41 1tzy n GLY 104 Ca -0.00 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1tzy n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tzy h GLU 105 N 0.00 0.00 -0.48 1.61 4.39 -2.00 -2.79 114.58 115.31 1tzy h GLU 105 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1tzy h GLU 105 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1tzy h GLU 105 CO 0.00 0.47 0.24 1.25 -1.16 0.00 0.00 179.01 179.81 1tzy h LEU 106 N 0.00 0.63 -0.64 1.33 5.85 -1.72 -1.05 115.31 119.71 1tzy h LEU 106 Ca -0.00 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1tzy h LEU 106 Cb 0.86 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1tzy h LEU 106 CO 0.06 0.58 0.28 0.00 -0.34 0.00 0.00 178.44 179.02 1tzy h ALA 107 N 1.08 0.83 -0.47 1.25 0.00 -1.26 -0.57 119.26 120.12 1tzy h ALA 107 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1tzy h ALA 107 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1tzy h ALA 107 CO -0.02 0.43 0.09 0.87 0.00 0.00 0.00 179.25 180.61 1tzy h LYS 108 N 0.90 0.77 -0.41 0.00 1.57 -1.21 0.18 116.57 118.37 1tzy h LYS 108 Ca 0.22 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1tzy h LYS 108 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1tzy h LYS 108 CO -0.02 0.78 -0.15 0.45 -0.57 0.00 0.00 179.45 179.94 1tzy h HIS 109 N 0.64 0.94 -0.70 -1.35 3.86 -1.15 -1.71 115.15 115.68 1tzy h HIS 109 Ca 0.14 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1tzy h HIS 109 Cb 0.37 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1tzy h HIS 109 CO 0.03 0.97 0.46 0.00 0.86 0.00 0.00 177.93 180.24 1tzy h ALA 110 N 0.83 0.90 -0.46 2.45 0.00 -0.85 -0.48 119.26 121.65 1tzy h ALA 110 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1tzy h ALA 110 Cb 0.70 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1tzy h ALA 110 CO 0.05 0.29 -0.04 0.28 0.00 0.00 0.00 179.25 179.83 1tzy h VAL 111 N 0.93 1.25 -0.45 0.00 2.07 -0.86 -0.30 116.25 118.89 1tzy h VAL 111 Ca 0.26 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 1tzy h VAL 111 Cb -0.08 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1tzy h VAL 111 CO -0.07 0.37 -0.24 -1.28 0.02 0.00 0.00 177.57 176.37 1tzy h SER 112 N 0.72 0.97 -0.45 0.57 0.87 -0.92 -1.70 113.55 113.62 1tzy h SER 112 Ca 0.13 -0.38 -0.12 0.00 -1.23 0.00 0.00 61.79 60.20 1tzy h SER 112 Cb 0.50 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1tzy h SER 112 CO 0.03 1.16 -0.20 -0.08 -0.53 0.00 0.00 176.83 177.20 1tzy h GLU 113 N 0.81 0.93 -0.42 2.24 4.57 -0.69 -0.86 114.58 121.16 1tzy h GLU 113 Ca 0.10 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 1tzy h GLU 113 Cb 0.81 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1tzy h GLU 113 CO 0.07 1.06 0.16 0.78 -1.18 0.00 0.00 179.01 179.89 1tzy h GLY 114 N 0.77 0.68 0.78 1.92 0.00 -1.05 -1.99 103.07 104.17 1tzy h GLY 114 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1tzy h GLY 114 CO 0.06 0.36 -0.00 -0.84 0.00 0.00 0.00 176.54 176.12 1tzy h THR 115 N 0.53 1.25 -0.57 4.70 2.02 -1.20 -1.63 112.91 118.01 1tzy h THR 115 Ca 0.14 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.59 1tzy h THR 115 Cb 0.21 1.54 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 1tzy h THR 115 CO -0.01 0.24 0.13 0.11 0.37 0.00 0.00 175.52 176.36 1tzy h LYS 116 N -0.02 0.26 -0.62 6.66 1.57 -1.16 -0.61 116.57 122.65 1tzy h LYS 116 Ca 0.04 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1tzy h LYS 116 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1tzy h LYS 116 CO 0.01 0.17 0.08 0.00 -0.57 0.00 0.00 179.45 179.14 1tzy h ALA 117 N 1.45 0.82 -0.45 3.86 0.00 -1.01 0.04 119.26 123.96 1tzy h ALA 117 Ca 0.29 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1tzy h ALA 117 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1tzy h ALA 117 CO -0.37 0.59 -0.15 0.28 0.00 0.00 0.00 179.25 179.60 1tzy h VAL 118 N 0.94 1.27 -0.05 0.00 2.07 -1.01 0.79 116.25 120.25 1tzy h VAL 118 Ca 0.18 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1tzy h VAL 118 Cb 0.45 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1tzy h VAL 118 CO 0.02 0.43 0.03 0.74 0.02 0.00 0.00 177.57 178.80 1tzy h THR 119 N 0.76 1.10 0.14 2.57 2.02 -0.81 -0.56 112.91 118.13 1tzy h THR 119 Ca 0.12 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1tzy h THR 119 Cb 0.67 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1tzy h THR 119 CO 0.05 0.08 -0.07 0.50 0.37 0.00 0.00 175.52 176.45 1tzy h LYS 120 N -0.03 -0.19 -0.68 6.66 3.64 -0.92 -2.34 116.57 122.71 1tzy h LYS 120 Ca 0.02 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1tzy h LYS 120 Cb 0.11 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1tzy h LYS 120 CO -0.00 -0.12 0.33 -0.92 -2.27 0.00 0.00 179.45 176.47 1tzy h TYR 121 N -0.19 0.60 -0.43 1.91 5.03 -0.77 -2.17 116.97 120.95 1tzy h TYR 121 Ca -0.02 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1tzy h TYR 121 Cb 0.15 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1tzy h TYR 121 CO -0.07 0.22 -0.11 1.15 -1.32 0.00 0.00 178.16 178.03 1tzy h THR 122 N 0.58 1.26 0.00 1.81 2.02 -1.01 -1.99 112.91 115.58 1tzy h THR 122 Ca 0.33 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1tzy h THR 122 Cb 0.33 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1tzy h THR 122 CO -0.25 0.40 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1tzy n SER 123 N -4.16 0.35 0.00 4.18 3.41 -0.89 -5.10 113.62 111.40 1tzy n SER 123 Ca 0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1tzy n SER 123 Cb 0.37 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1tzy n SER 123 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64