#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbx s ALA 21 N 0.00 -0.96 -0.04 2.24 0.00 -1.26 -5.17 121.76 116.57 1mbx s ALA 21 Ca 0.00 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1mbx s ALA 21 Cb 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1mbx s ALA 21 CO 0.00 -0.22 -0.01 -1.17 0.00 0.00 0.00 175.76 174.35 1mbx s LEU 22 N 0.84 1.19 0.09 0.00 2.96 -1.26 -5.16 118.68 117.35 1mbx s LEU 22 Ca -0.05 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1mbx s LEU 22 Cb -0.06 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 1mbx s LEU 22 CO -0.06 -0.09 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.12 1mbx s LYS 23 N 1.03 1.25 0.63 1.98 1.02 -1.26 -5.14 119.74 119.26 1mbx s LYS 23 Ca -0.10 -1.13 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 1mbx s LYS 23 Cb -0.14 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1mbx s LYS 23 CO -0.01 0.36 1.26 -2.14 -0.92 0.00 0.00 175.35 173.90 1mbx s PRO 24 N -1.73 2.67 0.75 -1.68 0.02 -1.26 -4.95 135.00 128.81 1mbx s PRO 24 Ca 0.08 1.97 -0.14 0.00 0.02 0.00 0.00 61.00 62.93 1mbx s PRO 24 Cb -0.10 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.60 1mbx s PRO 24 CO 0.04 -1.48 1.18 -1.25 -0.33 0.00 0.00 177.00 175.16 1mbx s PRO 25 N -3.39 2.09 0.57 5.54 0.04 -1.26 -4.97 135.00 133.62 1mbx s PRO 25 Ca 0.81 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 63.47 1mbx s PRO 25 Cb -0.35 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1mbx s PRO 25 CO 0.38 -1.85 0.85 -1.54 0.04 0.00 0.00 177.00 174.87 1mbx s SER 26 N -2.24 5.47 0.58 6.66 1.04 -1.26 -4.94 113.70 119.01 1mbx s SER 26 Ca 0.72 0.46 -0.15 0.00 0.48 0.00 0.00 55.95 57.47 1mbx s SER 26 Cb -0.27 -1.44 -0.05 0.00 0.10 0.00 0.00 66.02 64.36 1mbx s SER 26 CO 0.47 -1.08 1.02 -0.04 0.98 0.00 0.00 173.24 174.59 1mbx s MET 27 N -4.90 3.58 0.01 4.02 -1.94 -1.26 -3.22 119.30 115.59 1mbx s MET 27 Ca 0.54 0.99 0.03 0.00 -1.71 0.00 0.00 55.69 55.54 1mbx s MET 27 Cb -0.10 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 1mbx s MET 27 CO 0.42 -0.58 -0.11 0.71 -0.01 0.00 0.00 175.02 175.45 1mbx s TYR 28 N -2.73 0.96 0.12 -0.03 1.51 0.29 -0.91 117.35 116.56 1mbx s TYR 28 Ca 0.59 -0.25 -0.24 0.00 -1.01 0.00 0.00 57.07 56.16 1mbx s TYR 28 Cb -0.12 -0.60 -0.07 0.00 -0.11 0.00 0.00 41.96 41.06 1mbx s TYR 28 CO 0.40 -0.01 0.75 0.15 -1.11 0.00 0.00 175.55 175.73 1mbx s LYS 29 N -0.62 4.50 -0.20 -0.62 1.02 0.06 -0.54 119.74 123.34 1mbx s LYS 29 Ca 0.02 1.08 -0.06 0.00 0.02 0.00 0.00 55.97 57.03 1mbx s LYS 29 Cb -0.06 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1mbx s LYS 29 CO 0.00 0.51 0.02 0.08 -0.92 0.00 0.00 175.35 175.04 1mbx s VAL 30 N -0.86 4.13 0.02 3.17 1.01 0.96 -2.14 120.40 126.69 1mbx s VAL 30 Ca 0.36 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1mbx s VAL 30 Cb -0.22 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1mbx s VAL 30 CO 0.24 0.42 -0.24 -0.63 0.00 0.00 0.00 175.10 174.90 1mbx s ILE 31 N 0.99 2.33 -0.20 2.22 1.01 0.99 0.84 121.20 129.38 1mbx s ILE 31 Ca 0.02 -1.24 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 1mbx s ILE 31 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1mbx s ILE 31 CO 0.02 0.42 0.00 -0.22 0.00 0.00 0.00 174.94 175.17 1mbx s LEU 32 N -1.11 3.30 -0.04 2.97 2.96 -0.38 -0.41 118.68 125.96 1mbx s LEU 32 Ca 0.12 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1mbx s LEU 32 Cb -0.10 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1mbx s LEU 32 CO 0.02 0.08 0.12 -0.69 -1.32 0.00 0.00 176.35 174.56 1mbx s VAL 33 N 0.93 5.13 0.50 1.68 1.01 -0.61 -2.04 120.40 126.99 1mbx s VAL 33 Ca 0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1mbx s VAL 33 Cb -0.14 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1mbx s VAL 33 CO 0.02 0.43 1.02 0.21 0.00 0.00 0.00 175.10 176.77 1mbx s ASN 34 N -1.57 6.41 0.20 3.32 2.47 -0.77 -4.26 114.94 120.75 1mbx s ASN 34 Ca 0.22 1.81 -0.13 0.00 0.42 0.00 0.00 52.86 55.17 1mbx s ASN 34 Cb -0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1mbx s ASN 34 CO 0.12 -0.74 0.43 1.51 -3.72 0.00 0.00 177.10 174.70 1mbx s ASP 35 N -2.33 -0.10 0.00 -4.21 1.47 -1.26 -4.95 116.67 105.29 1mbx s ASP 35 Ca 0.64 -0.76 0.27 0.00 1.18 0.00 0.00 52.55 53.88 1mbx s ASP 35 Cb -0.14 0.53 0.89 0.00 -0.34 0.00 0.00 42.92 43.87 1mbx s ASP 35 CO 0.23 -1.03 1.65 0.47 0.68 0.00 0.00 175.17 177.18 1mbx n ASP 36 N -0.31 0.69 -0.08 2.11 8.00 -1.26 -4.39 116.55 121.31 1mbx n ASP 36 Ca -0.06 -0.59 -0.09 0.00 0.71 0.00 0.00 54.79 54.76 1mbx n ASP 36 Cb 0.62 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.66 1mbx n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mbx n TYR 37 N -0.96 0.00 -2.05 1.24 4.01 -1.26 -4.97 117.16 113.18 1mbx n TYR 37 Ca 0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 1mbx n TYR 37 Cb 0.32 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 38.55 1mbx n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1mbx s THR 38 N -2.39 3.64 0.42 -0.72 2.01 -1.26 -4.97 115.64 112.37 1mbx s THR 38 Ca -0.13 0.79 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 1mbx s THR 38 Cb 0.05 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 1mbx s THR 38 CO 0.60 -0.07 1.34 -2.84 -0.69 0.00 0.00 174.62 172.96 1mbx s PRO 39 N 3.91 3.88 0.43 4.92 0.02 -1.26 -4.89 135.00 142.01 1mbx s PRO 39 Ca 0.71 2.23 0.18 0.00 0.02 0.00 0.00 61.00 64.14 1mbx s PRO 39 Cb -0.32 -2.72 1.10 0.00 0.02 0.00 0.00 34.50 32.58 1mbx s PRO 39 CO 0.28 -0.59 1.90 0.52 -0.33 0.00 0.00 177.00 178.78 1mbx h MET 40 N 2.56 0.36 -0.69 5.54 2.86 -2.00 -1.07 114.93 122.48 1mbx h MET 40 Ca -0.50 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.07 1mbx h MET 40 Cb 1.25 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1mbx h MET 40 CO 0.62 0.24 0.26 1.49 1.06 0.00 0.00 176.91 180.58 1mbx h GLU 41 N 0.37 1.04 -0.41 1.72 4.81 -2.00 -2.01 114.58 118.10 1mbx h GLU 41 Ca 0.40 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 59.29 1mbx h GLU 41 Cb 1.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1mbx h GLU 41 CO -0.12 0.86 -0.33 0.35 -0.73 0.00 0.00 179.01 179.03 1mbx h PHE 42 N 1.01 1.11 -0.59 0.92 3.57 -1.56 -1.11 116.94 120.28 1mbx h PHE 42 Ca 0.23 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1mbx h PHE 42 Cb 0.22 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1mbx h PHE 42 CO 0.02 1.13 0.38 0.28 -2.23 0.00 0.00 178.31 177.89 1mbx h VAL 43 N 0.78 1.16 -0.72 1.41 2.07 -1.31 0.05 116.25 119.70 1mbx h VAL 43 Ca 0.08 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1mbx h VAL 43 Cb 0.92 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1mbx h VAL 43 CO 0.09 0.16 0.19 0.40 0.02 0.00 0.00 177.57 178.42 1mbx h ILE 44 N 0.80 1.26 -0.07 4.57 2.04 -1.17 -1.23 117.51 123.71 1mbx h ILE 44 Ca 0.22 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1mbx h ILE 44 Cb -0.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1mbx h ILE 44 CO -0.04 0.37 -0.04 -0.78 0.00 0.00 0.00 178.15 177.66 1mbx h ASP 45 N 1.09 -0.14 -0.59 1.72 3.58 -0.61 -0.71 116.42 120.76 1mbx h ASP 45 Ca 0.23 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.76 1mbx h ASP 45 Cb 0.36 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 1mbx h ASP 45 CO 0.00 -0.06 0.32 0.58 -2.88 0.00 0.00 179.24 177.20 1mbx h VAL 46 N -0.05 0.99 -0.41 2.25 2.07 -0.74 0.39 116.25 120.76 1mbx h VAL 46 Ca 0.04 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1mbx h VAL 46 Cb 0.11 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1mbx h VAL 46 CO -0.10 0.11 -0.08 -0.07 0.02 0.00 0.00 177.57 177.46 1mbx h LEU 47 N 0.62 0.69 0.01 2.57 3.38 -0.75 0.06 115.31 121.89 1mbx h LEU 47 Ca 0.25 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1mbx h LEU 47 Cb 0.12 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1mbx h LEU 47 CO -0.15 0.81 -0.47 1.56 0.09 0.00 0.00 178.44 180.27 1mbx h GLN 48 N 0.65 0.31 -0.35 1.13 4.20 -0.60 -2.54 115.11 117.91 1mbx h GLN 48 Ca 0.12 -0.34 -0.16 0.00 0.06 0.00 0.00 58.65 58.33 1mbx h GLN 48 Cb 0.52 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1mbx h GLN 48 CO 0.03 1.04 -0.41 -0.22 -0.67 0.00 0.00 178.83 178.61 1mbx h LYS 49 N -0.29 0.89 0.00 1.46 3.64 -0.12 -2.45 116.57 119.70 1mbx h LYS 49 Ca -0.06 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1mbx h LYS 49 Cb 1.22 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1mbx h LYS 49 CO 0.09 1.14 -0.86 1.19 -2.27 0.00 0.00 179.45 178.74 1mbx n PHE 50 N -4.08 0.00 -0.45 1.91 3.72 -0.00 -4.49 117.46 114.06 1mbx n PHE 50 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1mbx n PHE 50 Cb 0.55 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1mbx n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1mbx n PHE 51 N -1.43 0.00 -2.20 1.38 3.72 -0.98 -5.03 117.46 112.92 1mbx n PHE 51 Ca 0.03 -0.12 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 1mbx n PHE 51 Cb 0.28 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1mbx n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1mbx n SER 52 N -0.12 -5.83 -4.84 4.37 7.64 -0.92 -4.94 113.62 108.99 1mbx n SER 52 Ca 0.00 0.12 -0.32 0.00 1.01 0.00 0.00 58.87 59.68 1mbx n SER 52 Cb 0.22 -4.92 -0.01 0.00 -1.01 0.00 0.00 64.21 58.49 1mbx n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mbx s TYR 53 N -2.98 3.40 0.63 1.43 2.02 -1.10 -4.98 117.35 115.78 1mbx s TYR 53 Ca 0.00 1.42 -0.06 0.00 -0.37 0.00 0.00 57.07 58.06 1mbx s TYR 53 Cb 0.00 -2.81 0.03 0.00 -0.40 0.00 0.00 41.96 38.78 1mbx s TYR 53 CO 0.00 -0.65 0.94 0.16 -1.57 0.00 0.00 175.55 174.43 1mbx s ASP 54 N -3.39 5.27 0.32 2.29 1.47 -1.26 -4.41 116.67 116.95 1mbx s ASP 54 Ca 0.58 0.57 0.06 0.00 1.18 0.00 0.00 52.55 54.95 1mbx s ASP 54 Cb -0.12 -1.43 0.72 0.00 -0.34 0.00 0.00 42.92 41.76 1mbx s ASP 54 CO 0.40 -1.28 1.82 0.58 0.68 0.00 0.00 175.17 177.38 1mbx h VAL 55 N -0.33 0.80 0.35 2.11 2.07 -1.97 -0.27 116.25 119.01 1mbx h VAL 55 Ca -0.45 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1mbx h VAL 55 Cb 1.28 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1mbx h VAL 55 CO 0.60 0.15 -0.17 -0.33 0.02 0.00 0.00 177.57 177.84 1mbx h GLU 56 N 0.80 -0.45 -0.50 1.57 5.08 -1.99 0.12 114.58 119.21 1mbx h GLU 56 Ca 0.52 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.88 1mbx h GLU 56 Cb 0.76 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1mbx h GLU 56 CO -0.30 -0.19 0.20 -0.09 -1.00 0.00 0.00 179.01 177.63 1mbx h ARG 57 N -0.64 0.75 -0.53 2.33 9.65 -1.89 -1.51 114.38 122.54 1mbx h ARG 57 Ca -0.05 -0.14 0.11 0.00 -1.10 0.00 0.00 59.98 58.80 1mbx h ARG 57 Cb 0.46 -0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 28.82 1mbx h ARG 57 CO 0.08 0.67 -0.10 0.00 2.80 0.00 0.00 179.97 183.42 1mbx h ALA 58 N 1.04 0.39 -0.66 2.80 0.00 -0.91 -0.09 119.26 121.83 1mbx h ALA 58 Ca 0.17 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1mbx h ALA 58 Cb 0.21 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1mbx h ALA 58 CO -0.01 -0.43 0.43 1.15 0.00 0.00 0.00 179.25 180.39 1mbx h THR 59 N 0.02 1.14 -0.78 0.00 2.02 -0.38 -0.49 112.91 114.44 1mbx h THR 59 Ca 0.26 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1mbx h THR 59 Cb 0.40 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1mbx h THR 59 CO -0.52 0.16 0.44 1.56 0.37 0.00 0.00 175.52 177.52 1mbx h GLN 60 N 0.87 1.08 -0.34 6.66 4.20 -0.14 -1.80 115.11 125.63 1mbx h GLN 60 Ca 0.25 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1mbx h GLN 60 Cb -0.06 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 1mbx h GLN 60 CO -0.07 0.79 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.58 1mbx h LEU 61 N 1.08 0.67 -0.87 1.46 -0.00 -0.62 -1.67 115.31 115.36 1mbx h LEU 61 Ca 0.28 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1mbx h LEU 61 Cb 0.01 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.45 1mbx h LEU 61 CO -0.05 0.88 0.46 -0.03 -0.00 0.00 0.00 178.44 179.71 1mbx h MET 62 N 0.58 1.22 -0.45 1.13 4.05 -0.61 -0.49 114.93 120.36 1mbx h MET 62 Ca 0.08 -0.15 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 1mbx h MET 62 Cb 0.70 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1mbx h MET 62 CO 0.05 0.90 -0.18 -0.07 0.23 0.00 0.00 176.91 177.85 1mbx h LEU 63 N 1.22 0.88 -0.46 3.39 3.38 -1.05 -2.10 115.31 120.57 1mbx h LEU 63 Ca 0.30 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1mbx h LEU 63 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1mbx h LEU 63 CO -0.05 1.04 0.22 0.00 0.09 0.00 0.00 178.44 179.75 1mbx h ALA 64 N 1.03 0.59 -0.70 1.53 0.00 -0.79 0.16 119.26 121.07 1mbx h ALA 64 Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1mbx h ALA 64 Cb 0.71 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1mbx h ALA 64 CO 0.05 0.15 0.41 0.28 0.00 0.00 0.00 179.25 180.14 1mbx h VAL 65 N 0.60 1.00 -0.14 0.00 2.07 -0.85 0.43 116.25 119.36 1mbx h VAL 65 Ca 0.16 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1mbx h VAL 65 Cb 0.11 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1mbx h VAL 65 CO -0.02 0.14 0.07 -0.74 0.02 0.00 0.00 177.57 177.03 1mbx h HIS 66 N 0.76 0.20 0.20 1.57 6.17 -0.68 -1.06 115.15 122.32 1mbx h HIS 66 Ca 0.31 -0.01 -0.33 0.00 0.71 0.00 0.00 60.37 61.05 1mbx h HIS 66 Cb 0.16 -0.06 0.02 0.00 2.52 0.00 0.00 27.41 30.05 1mbx h HIS 66 CO -0.06 0.24 -1.58 1.88 0.71 0.00 0.00 177.93 179.11 1mbx h TYR 67 N 0.10 0.79 0.00 5.26 0.05 -0.50 -3.35 116.97 119.32 1mbx h TYR 67 Ca 0.05 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.25 1mbx h TYR 67 Cb 0.12 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1mbx h TYR 67 CO -0.03 1.61 -0.52 1.04 -1.05 0.00 0.00 178.16 179.21 1mbx n GLN 68 N -3.70 0.08 -0.10 4.88 6.02 0.15 -4.94 117.38 119.77 1mbx n GLN 68 Ca -0.22 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1mbx n GLN 68 Cb 1.06 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1mbx n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mbx n GLY 69 N 1.45 1.72 3.60 1.08 0.00 -0.41 -4.97 105.19 107.66 1mbx n GLY 69 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1mbx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mbx s LYS 70 N -0.37 1.02 -0.18 1.61 1.02 -1.19 -1.84 119.74 119.81 1mbx s LYS 70 Ca 0.00 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 1mbx s LYS 70 Cb 0.00 0.41 0.10 0.00 -0.52 0.00 0.00 37.83 37.82 1mbx s LYS 70 CO 0.00 -0.46 0.85 0.00 -0.92 0.00 0.00 175.35 174.83 1mbx s ALA 71 N -3.26 -1.86 -0.17 5.17 0.00 -0.87 -4.10 121.76 116.68 1mbx s ALA 71 Ca 0.07 1.69 -0.26 0.00 0.00 0.00 0.00 51.96 53.45 1mbx s ALA 71 Cb -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1mbx s ALA 71 CO -0.05 -0.31 0.89 0.42 0.00 0.00 0.00 175.76 176.70 1mbx s ILE 72 N -0.46 4.84 -0.16 0.00 1.01 -1.26 -1.25 121.20 123.91 1mbx s ILE 72 Ca -0.03 1.75 0.21 0.00 0.00 0.00 0.00 60.65 62.59 1mbx s ILE 72 Cb -0.02 -4.19 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 1mbx s ILE 72 CO 0.02 -0.00 0.83 0.00 0.00 0.00 0.00 174.94 175.78 1mbx n GLY 74 N 1.26 0.72 3.06 0.00 0.00 -1.20 -4.98 105.19 104.05 1mbx n GLY 74 Ca -0.04 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1mbx n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mbx s VAL 75 N -2.00 1.50 0.27 1.61 1.01 -1.26 -0.03 120.40 121.50 1mbx s VAL 75 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1mbx s VAL 75 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1mbx s VAL 75 CO 0.00 0.44 0.18 -0.36 0.00 0.00 0.00 175.10 175.36 1mbx s PHE 76 N 0.94 1.49 0.94 5.22 0.08 0.29 -4.91 117.98 122.03 1mbx s PHE 76 Ca -0.08 -1.45 -0.11 0.00 0.12 0.00 0.00 56.93 55.42 1mbx s PHE 76 Cb -0.15 -0.72 0.16 0.00 -0.57 0.00 0.00 43.02 41.74 1mbx s PHE 76 CO -0.01 -0.65 1.10 0.95 -0.10 0.00 0.00 175.22 176.51 1mbx s THR 77 N -3.76 2.36 0.20 0.64 -4.23 -1.26 0.11 115.64 109.70 1mbx s THR 77 Ca 0.38 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 1mbx s THR 77 Cb 0.05 -2.30 0.13 0.00 1.34 0.00 0.00 72.50 71.72 1mbx s THR 77 CO 0.18 -0.15 1.80 0.00 -0.54 0.00 0.00 174.62 175.91 1mbx h ALA 78 N -1.87 0.83 -0.39 3.99 0.00 -1.87 0.11 119.26 120.06 1mbx h ALA 78 Ca -0.48 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1mbx h ALA 78 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1mbx h ALA 78 CO 0.47 -0.00 0.20 1.49 0.00 0.00 0.00 179.25 181.41 1mbx h GLU 79 N 0.62 0.55 -0.17 0.00 4.81 -1.90 -0.98 114.58 117.52 1mbx h GLU 79 Ca 0.28 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 1mbx h GLU 79 Cb 0.19 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1mbx h GLU 79 CO -0.19 0.47 -0.60 0.28 -0.73 0.00 0.00 179.01 178.24 1mbx h VAL 80 N 0.50 1.31 -0.41 0.32 2.07 -1.86 -3.00 116.25 115.17 1mbx h VAL 80 Ca 0.14 -1.84 0.05 0.00 0.82 0.00 0.00 66.70 65.87 1mbx h VAL 80 Cb 0.09 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1mbx h VAL 80 CO -0.02 0.58 0.13 0.00 0.02 0.00 0.00 177.57 178.28 1mbx h ALA 81 N 0.55 0.48 -0.81 1.67 0.00 -0.82 -0.50 119.26 119.84 1mbx h ALA 81 Ca -0.03 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1mbx h ALA 81 Cb 1.23 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1mbx h ALA 81 CO 0.13 -0.26 0.54 1.49 0.00 0.00 0.00 179.25 181.14 1mbx h GLU 82 N 0.29 1.05 -0.13 0.00 4.81 -1.20 -0.24 114.58 119.16 1mbx h GLU 82 Ca 0.19 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1mbx h GLU 82 Cb 0.19 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1mbx h GLU 82 CO -0.21 0.70 -0.34 1.15 -0.73 0.00 0.00 179.01 179.57 1mbx h THR 83 N 1.08 1.37 -0.88 0.32 2.02 -1.17 -2.03 112.91 113.62 1mbx h THR 83 Ca 0.30 -1.64 0.01 0.00 0.77 0.00 0.00 66.41 65.85 1mbx h THR 83 Cb -0.11 2.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1mbx h THR 83 CO -0.07 0.49 0.59 0.11 0.37 0.00 0.00 175.52 177.01 1mbx h LYS 84 N 0.06 1.16 -0.27 6.66 1.57 -0.85 0.67 116.57 125.57 1mbx h LYS 84 Ca -0.01 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1mbx h LYS 84 Cb 0.96 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1mbx h LYS 84 CO 0.07 0.76 0.16 0.28 -0.57 0.00 0.00 179.45 180.16 1mbx h VAL 85 N 1.19 1.11 -0.66 0.50 2.07 -1.00 -0.72 116.25 118.74 1mbx h VAL 85 Ca 0.33 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 1mbx h VAL 85 Cb -0.12 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1mbx h VAL 85 CO -0.08 0.11 0.17 0.00 0.02 0.00 0.00 177.57 177.79 1mbx h ALA 86 N 1.05 1.04 -0.45 1.67 0.00 -0.89 -0.89 119.26 120.78 1mbx h ALA 86 Ca 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1mbx h ALA 86 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1mbx h ALA 86 CO -0.02 0.63 0.17 0.52 0.00 0.00 0.00 179.25 180.55 1mbx h MET 87 N 0.99 0.69 -0.25 0.00 2.07 -0.49 -0.98 114.93 116.96 1mbx h MET 87 Ca 0.21 -0.13 -0.02 0.00 -2.07 0.00 0.00 59.70 57.69 1mbx h MET 87 Cb 0.34 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.95 1mbx h MET 87 CO 0.00 0.64 0.10 0.28 1.07 0.00 0.00 176.91 178.99 1mbx h VAL 88 N 0.59 1.18 -0.15 -2.22 2.07 -0.93 -1.06 116.25 115.73 1mbx h VAL 88 Ca 0.15 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1mbx h VAL 88 Cb 0.21 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1mbx h VAL 88 CO -0.01 0.18 -0.20 0.78 0.02 0.00 0.00 177.57 178.34 1mbx h ASN 89 N 0.25 0.24 -0.32 0.57 2.35 -1.07 -0.39 115.58 117.22 1mbx h ASN 89 Ca 0.08 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1mbx h ASN 89 Cb 0.19 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1mbx h ASN 89 CO -0.01 0.46 -0.39 0.50 -1.65 0.00 0.00 177.43 176.35 1mbx h LYS 90 N 0.23 0.82 -0.69 0.81 3.64 -0.93 -1.28 116.57 119.18 1mbx h LYS 90 Ca 0.04 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 1mbx h LYS 90 Cb 0.49 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1mbx h LYS 90 CO 0.03 1.09 0.17 -0.92 -2.27 0.00 0.00 179.45 177.56 1mbx h TYR 91 N 0.59 1.14 -0.12 1.91 3.20 -0.76 0.60 116.97 123.53 1mbx h TYR 91 Ca 0.04 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1mbx h TYR 91 Cb 0.98 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1mbx h TYR 91 CO 0.07 0.93 0.07 0.00 -1.64 0.00 0.00 178.16 177.58 1mbx h ALA 92 N 1.14 0.16 -0.48 1.82 0.00 -0.98 -1.96 119.26 118.96 1mbx h ALA 92 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1mbx h ALA 92 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1mbx h ALA 92 CO 0.00 -0.30 0.27 -0.09 0.00 0.00 0.00 179.25 179.13 1mbx h ARG 93 N 0.10 0.52 0.00 0.00 2.43 -0.89 -0.69 114.38 115.85 1mbx h ARG 93 Ca 0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1mbx h ARG 93 Cb 0.08 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1mbx h ARG 93 CO -0.01 0.34 -0.17 0.93 -1.51 0.00 0.00 179.97 179.56 1mbx h GLU 94 N 0.53 0.00 -0.65 0.20 5.08 -0.71 -0.52 114.58 118.52 1mbx h GLU 94 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1mbx h GLU 94 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1mbx h GLU 94 CO -0.11 0.17 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 1mbx n ASN 95 N -4.25 4.18 -3.56 1.42 3.02 -0.75 -4.95 115.26 110.36 1mbx n ASN 95 Ca -0.02 -2.34 -0.24 0.00 -0.03 0.00 0.00 54.58 51.95 1mbx n ASN 95 Cb 0.24 -0.53 0.07 0.00 -0.61 0.00 0.00 39.78 38.95 1mbx n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mbx n GLU 96 N 1.05 -7.46 -4.73 3.52 1.02 -0.20 -5.01 120.64 108.83 1mbx n GLU 96 Ca 0.23 0.82 -0.27 0.00 -0.02 0.00 0.00 57.16 57.91 1mbx n GLU 96 Cb 0.77 -5.84 -0.14 0.00 -0.02 0.00 0.00 31.44 26.20 1mbx n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mbx s HIS 97 N -3.30 2.03 -0.17 -0.32 3.76 -0.35 -5.02 115.29 111.92 1mbx s HIS 97 Ca 0.57 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 1mbx s HIS 97 Cb -0.25 -1.20 0.21 0.00 1.11 0.00 0.00 32.58 32.44 1mbx s HIS 97 CO 0.70 0.12 1.26 -0.35 -0.85 0.00 0.00 174.74 175.62 1mbx n PRO 98 N 1.77 1.42 -1.80 8.40 -0.04 -1.26 -4.02 135.00 139.48 1mbx n PRO 98 Ca -0.17 -0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 61.94 1mbx n PRO 98 Cb 0.53 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1mbx n PRO 98 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1mbx s LEU 99 N -1.00 4.32 -0.24 1.53 2.96 -1.26 -4.94 118.68 120.05 1mbx s LEU 99 Ca 0.17 2.44 -0.10 0.00 -0.22 0.00 0.00 54.13 56.43 1mbx s LEU 99 Cb 0.15 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1mbx s LEU 99 CO 0.03 -1.07 0.14 -0.22 -1.32 0.00 0.00 176.35 173.92 1mbx s LEU 100 N 4.57 3.97 -0.10 -0.68 2.96 -1.26 -4.81 118.68 123.33 1mbx s LEU 100 Ca 0.84 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.76 1mbx s LEU 100 Cb -0.38 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1mbx s LEU 100 CO 0.37 0.04 -0.01 0.00 -1.32 0.00 0.00 176.35 175.42 1mbx s THR 102 N -0.54 0.08 0.09 0.00 -4.23 0.45 -4.92 115.64 106.57 1mbx s THR 102 Ca 0.09 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1mbx s THR 102 Cb -0.12 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1mbx s THR 102 CO 0.02 0.00 -0.09 -1.48 -0.54 0.00 0.00 174.62 172.53 1mbx s LEU 103 N -3.22 2.42 -0.05 4.79 0.05 -1.26 -0.01 118.68 121.41 1mbx s LEU 103 Ca 0.39 -0.84 -0.25 0.00 0.05 0.00 0.00 54.13 53.48 1mbx s LEU 103 Cb 0.06 -0.21 0.05 0.00 -2.05 0.00 0.00 46.19 44.05 1mbx s LEU 103 CO 0.15 -0.32 0.56 -1.83 -0.55 0.00 0.00 176.35 174.36 1mbx s GLU 104 N -2.96 0.92 0.14 1.48 -1.05 -0.91 -4.99 118.70 111.33 1mbx s GLU 104 Ca 0.05 0.16 -0.35 0.00 -0.15 0.00 0.00 54.97 54.69 1mbx s GLU 104 Cb -0.01 0.43 -0.16 0.00 -0.44 0.00 0.00 34.13 33.95 1mbx s GLU 104 CO -0.01 -0.27 1.34 1.63 0.95 0.00 0.00 175.26 178.89 1mbx n LYS 105 N 1.14 1.41 0.00 -4.83 5.02 -1.26 -0.76 118.16 118.88 1mbx n LYS 105 Ca -0.19 0.51 0.05 0.00 -2.02 0.00 0.00 58.31 56.66 1mbx n LYS 105 Cb 0.57 -2.13 0.32 0.00 -0.02 0.00 0.00 35.03 33.76 1mbx n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88