#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjv s VAL 14 N 0.00 0.69 -0.04 3.17 1.01 -1.26 -5.12 120.40 118.85 1mjv s VAL 14 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1mjv s VAL 14 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1mjv s VAL 14 CO 0.00 0.25 1.10 -0.69 0.00 0.00 0.00 175.10 175.75 1mjv s VAL 15 N 0.66 4.51 0.48 2.92 1.01 -1.26 -5.00 120.40 123.73 1mjv s VAL 15 Ca -0.10 1.80 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 1mjv s VAL 15 Cb -0.13 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1mjv s VAL 15 CO 0.01 0.05 1.08 -1.59 0.00 0.00 0.00 175.10 174.65 1mjv s LYS 16 N 1.76 3.74 0.23 2.72 -2.85 -1.26 -4.78 119.74 119.30 1mjv s LYS 16 Ca 0.53 1.52 -0.10 0.00 -1.00 0.00 0.00 55.97 56.92 1mjv s LYS 16 Cb -0.23 -2.20 0.33 0.00 -2.06 0.00 0.00 37.83 33.68 1mjv s LYS 16 CO 0.23 -0.51 1.64 0.35 0.10 0.00 0.00 175.35 177.16 1mjv h PHE 17 N 1.71 -0.17 -0.92 1.78 3.57 -1.99 -0.42 116.94 120.51 1mjv h PHE 17 Ca -0.49 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.16 1mjv h PHE 17 Cb 1.23 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 40.08 1mjv h PHE 17 CO 0.55 -0.24 0.56 1.98 -2.23 0.00 0.00 178.31 178.93 1mjv h MET 18 N 0.06 0.90 -0.14 1.11 4.05 -1.99 0.15 114.93 119.07 1mjv h MET 18 Ca 0.35 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.57 1mjv h MET 18 Cb 0.58 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1mjv h MET 18 CO -0.64 0.60 -0.52 -0.44 0.23 0.00 0.00 176.91 176.14 1mjv h ASP 19 N 0.93 0.70 -0.00 1.39 3.32 -1.63 -1.79 116.42 119.33 1mjv h ASP 19 Ca 0.44 -0.61 0.03 0.00 0.02 0.00 0.00 57.03 56.91 1mjv h ASP 19 Cb 0.37 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1mjv h ASP 19 CO -0.24 1.19 -0.28 0.58 -1.72 0.00 0.00 179.24 178.78 1mjv h VAL 20 N 0.24 0.38 -0.44 -1.35 2.07 -0.42 0.04 116.25 116.77 1mjv h VAL 20 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1mjv h VAL 20 Cb 1.15 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1mjv h VAL 20 CO 0.11 0.00 0.28 0.22 0.02 0.00 0.00 177.57 178.20 1mjv h TYR 21 N -0.42 0.56 -0.59 1.57 3.20 -0.75 -1.10 116.97 119.45 1mjv h TYR 21 Ca 0.06 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1mjv h TYR 21 Cb 0.51 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1mjv h TYR 21 CO -0.31 0.37 0.36 0.37 -1.64 0.00 0.00 178.16 177.31 1mjv h GLN 22 N 0.59 0.69 0.00 1.82 5.75 -1.01 0.04 115.11 122.99 1mjv h GLN 22 Ca 0.16 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1mjv h GLN 22 Cb -0.05 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 1mjv h GLN 22 CO -0.03 0.45 -0.11 0.00 -2.65 0.00 0.00 178.83 176.49 1mjv h ARG 23 N 0.71 0.00 -0.01 1.69 3.08 -0.67 -2.91 114.38 116.27 1mjv h ARG 23 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1mjv h ARG 23 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1mjv h ARG 23 CO -0.10 0.11 -0.44 0.43 -1.07 0.00 0.00 179.97 178.90 1mjv n SER 24 N -3.23 1.05 -4.74 7.04 7.64 -0.44 -4.95 113.62 115.99 1mjv n SER 24 Ca 0.01 -0.84 -0.41 0.00 1.01 0.00 0.00 58.87 58.64 1mjv n SER 24 Cb 0.40 0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.87 1mjv n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mjv s TYR 25 N -2.68 3.68 -0.08 1.43 6.14 -0.09 -1.02 117.35 124.72 1mjv s TYR 25 Ca 0.18 1.69 -0.10 0.00 0.64 0.00 0.00 57.07 59.48 1mjv s TYR 25 Cb 0.18 -3.21 -0.04 0.00 0.42 0.00 0.00 41.96 39.31 1mjv s TYR 25 CO 0.62 -0.34 0.32 0.00 0.64 0.00 0.00 175.55 176.79 1mjv s HIS 27 N 0.49 -0.12 0.01 0.00 -3.43 -0.54 -4.89 115.29 106.82 1mjv s HIS 27 Ca 0.22 -0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 54.16 1mjv s HIS 27 Cb -0.32 0.56 -0.06 0.00 -1.43 0.00 0.00 32.58 31.33 1mjv s HIS 27 CO 0.17 -0.43 1.52 -2.14 -2.00 0.00 0.00 174.74 171.85 1mjv s PRO 28 N -2.73 4.24 -0.11 -0.38 0.02 -1.26 -1.61 135.00 133.17 1mjv s PRO 28 Ca 0.11 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.28 1mjv s PRO 28 Cb 0.01 -3.63 0.01 0.00 0.02 0.00 0.00 34.50 30.91 1mjv s PRO 28 CO -0.03 -0.67 -0.21 0.42 -0.33 0.00 0.00 177.00 176.18 1mjv s ILE 29 N 2.70 1.88 -0.10 2.83 1.01 0.94 -4.83 121.20 125.62 1mjv s ILE 29 Ca 0.68 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 1mjv s ILE 29 Cb -0.34 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 1mjv s ILE 29 CO 0.29 0.52 2.02 1.21 0.00 0.00 0.00 174.94 178.98 1mjv n GLU 30 N 3.76 2.27 -4.71 2.79 2.13 -1.26 -1.55 120.64 124.06 1mjv n GLU 30 Ca -0.20 0.78 -0.24 0.00 0.66 0.00 0.00 57.16 58.16 1mjv n GLU 30 Cb 0.52 -2.89 -0.16 0.00 0.27 0.00 0.00 31.44 29.18 1mjv n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1mjv s THR 31 N 5.49 1.24 -0.24 6.31 2.01 0.20 -4.89 115.64 125.78 1mjv s THR 31 Ca 0.95 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 1mjv s THR 31 Cb -0.54 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 1mjv s THR 31 CO 0.44 0.36 1.44 -0.76 -0.69 0.00 0.00 174.62 175.42 1mjv s LEU 32 N -0.00 3.95 -0.15 4.42 1.43 -1.26 -0.13 118.68 126.94 1mjv s LEU 32 Ca -0.02 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1mjv s LEU 32 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1mjv s LEU 32 CO 0.01 -1.10 -0.10 -0.69 0.23 0.00 0.00 176.35 174.71 1mjv s VAL 33 N 4.56 3.25 -0.15 -1.59 1.01 0.12 -4.87 120.40 122.74 1mjv s VAL 33 Ca 0.63 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1mjv s VAL 33 Cb -0.22 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1mjv s VAL 33 CO 0.25 0.50 1.73 -0.62 0.00 0.00 0.00 175.10 176.96 1mjv s ASP 34 N 0.56 6.37 0.17 3.32 2.15 -1.26 -1.38 116.67 126.60 1mjv s ASP 34 Ca -0.07 1.94 -0.15 0.00 0.43 0.00 0.00 52.55 54.70 1mjv s ASP 34 Cb -0.15 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.06 1mjv s ASP 34 CO 0.03 -1.22 1.73 0.40 -0.17 0.00 0.00 175.17 175.94 1mjv h ILE 35 N 6.03 0.80 -0.27 4.11 2.04 -1.41 0.15 117.51 128.95 1mjv h ILE 35 Ca -0.38 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.48 1mjv h ILE 35 Cb 1.18 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1mjv h ILE 35 CO 0.98 0.04 0.24 0.15 0.00 0.00 0.00 178.15 179.56 1mjv h PHE 36 N 0.23 0.00 -0.32 1.37 3.57 -1.85 0.54 116.94 120.48 1mjv h PHE 36 Ca 0.20 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 1mjv h PHE 36 Cb 0.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1mjv h PHE 36 CO -0.20 0.00 -0.37 0.37 -2.23 0.00 0.00 178.31 175.89 1mjv h GLN 37 N 0.00 0.73 0.00 1.11 4.15 -1.09 0.23 115.11 120.24 1mjv h GLN 37 Ca 0.13 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1mjv h GLN 37 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1mjv h GLN 37 CO -0.00 0.98 -0.04 0.93 -1.93 0.00 0.00 178.83 178.77 1mjv h GLU 38 N 0.61 0.00 -2.01 1.69 4.39 -0.68 -3.36 114.58 115.23 1mjv h GLU 38 Ca 0.06 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.26 1mjv h GLU 38 Cb 0.91 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.16 1mjv h GLU 38 CO 0.08 0.00 -1.17 0.66 -1.16 0.00 0.00 179.01 177.42 1mjv n TYR 39 N -2.70 0.13 0.02 4.33 4.02 -0.31 -4.95 117.16 117.71 1mjv n TYR 39 Ca 0.05 -3.76 0.00 0.00 -0.01 0.00 0.00 57.90 54.17 1mjv n TYR 39 Cb 0.48 -0.41 0.01 0.00 -0.02 0.00 0.00 39.34 39.41 1mjv n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1mjv n PRO 40 N 0.53 0.00 0.00 -0.72 -0.04 0.05 -1.10 135.00 133.73 1mjv n PRO 40 Ca 0.24 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.30 1mjv n PRO 40 Cb 0.62 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 33.10 1mjv n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1mjv n ASP 41 N -1.47 1.00 -3.58 3.54 5.75 -1.26 -4.32 116.55 116.22 1mjv n ASP 41 Ca 0.00 -1.03 -0.41 0.00 -0.01 0.00 0.00 54.79 53.34 1mjv n ASP 41 Cb 0.01 0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.14 1mjv n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1mjv n GLU 42 N -0.46 4.94 0.20 0.11 -0.58 -0.25 -4.80 120.64 119.80 1mjv n GLU 42 Ca 0.16 -4.02 -0.15 0.00 -0.42 0.00 0.00 57.16 52.73 1mjv n GLU 42 Cb 0.32 -2.57 -0.07 0.00 -0.57 0.00 0.00 31.44 28.55 1mjv n GLU 42 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1mjv h ILE 43 N 2.49 0.26 0.00 -3.67 2.04 -1.83 -3.05 117.51 113.74 1mjv h ILE 43 Ca 0.61 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.47 1mjv h ILE 43 Cb 0.33 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1mjv h ILE 43 CO 1.35 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 179.17 1mjv h GLU 44 N -0.71 0.00 -5.82 2.37 5.08 -1.97 -3.44 114.58 110.09 1mjv h GLU 44 Ca -0.01 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.71 1mjv h GLU 44 Cb 0.66 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1mjv h GLU 44 CO -0.10 0.00 -0.49 0.71 -1.00 0.00 0.00 179.01 178.13 1mjv s TYR 45 N -3.85 3.55 -0.18 4.33 1.51 -1.16 -4.68 117.35 116.87 1mjv s TYR 45 Ca -0.04 0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1mjv s TYR 45 Cb 0.10 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1mjv s TYR 45 CO 0.31 0.64 -0.09 0.42 -1.11 0.00 0.00 175.55 175.72 1mjv s ILE 46 N -1.34 3.18 -0.01 2.71 1.01 -0.51 -4.96 121.20 121.28 1mjv s ILE 46 Ca 0.28 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1mjv s ILE 46 Cb -0.13 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1mjv s ILE 46 CO 0.20 0.47 0.24 -0.36 0.00 0.00 0.00 174.94 175.49 1mjv s PHE 47 N 1.00 3.58 -0.06 3.97 0.40 -1.26 -0.43 117.98 125.19 1mjv s PHE 47 Ca -0.01 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 1mjv s PHE 47 Cb -0.15 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.45 1mjv s PHE 47 CO -0.01 0.64 0.02 0.21 0.70 0.00 0.00 175.22 176.78 1mjv s LYS 48 N -1.69 0.32 0.72 0.44 2.20 0.49 -2.53 119.74 119.69 1mjv s LYS 48 Ca 0.26 0.20 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 1mjv s LYS 48 Cb -0.13 -0.75 0.03 0.00 -1.51 0.00 0.00 37.83 35.47 1mjv s LYS 48 CO 0.15 -0.29 1.15 -1.25 -0.36 0.00 0.00 175.35 174.75 1mjv s PRO 49 N 1.94 2.34 0.40 4.03 0.04 -1.26 -1.23 135.00 141.25 1mjv s PRO 49 Ca 0.03 1.54 0.28 0.00 0.04 0.00 0.00 61.00 62.89 1mjv s PRO 49 Cb -0.12 -1.88 1.02 0.00 0.04 0.00 0.00 34.50 33.55 1mjv s PRO 49 CO -0.04 -1.63 1.81 0.66 0.04 0.00 0.00 177.00 177.84 1mjv h SER 50 N -0.35 0.00 -4.45 6.66 4.64 -1.90 -3.44 113.55 114.71 1mjv h SER 50 Ca -0.47 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.68 1mjv h SER 50 Cb 1.27 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.12 1mjv h SER 50 CO 0.51 0.00 -0.60 0.00 -0.87 0.00 0.00 176.83 175.87 1mjv s ALA 51 N -3.41 -0.17 0.21 5.18 0.00 -1.26 -1.00 121.76 121.30 1mjv s ALA 51 Ca 0.04 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.02 1mjv s ALA 51 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1mjv s ALA 51 CO 0.52 -0.12 -0.17 0.14 0.00 0.00 0.00 175.76 176.13 1mjv s VAL 52 N -0.77 1.94 -0.13 0.00 -7.23 -0.48 -4.81 120.40 108.92 1mjv s VAL 52 Ca -0.09 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 1mjv s VAL 52 Cb -0.05 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1mjv s VAL 52 CO 0.00 -0.44 0.97 -2.16 -0.31 0.00 0.00 175.10 173.16 1mjv s PRO 53 N -3.28 4.39 0.05 4.82 0.04 -1.26 0.15 135.00 139.91 1mjv s PRO 53 Ca 0.22 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1mjv s PRO 53 Cb -0.04 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 1mjv s PRO 53 CO 0.09 -0.33 -0.10 -0.51 0.04 0.00 0.00 177.00 176.18 1mjv s LEU 54 N 2.10 2.23 -0.21 -3.56 1.43 0.81 -4.87 118.68 116.60 1mjv s LEU 54 Ca 0.46 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1mjv s LEU 54 Cb -0.18 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.71 1mjv s LEU 54 CO 0.16 -0.11 1.09 -0.04 0.23 0.00 0.00 176.35 177.67 1mjv s MET 55 N -1.44 4.26 -0.01 1.70 -1.94 -1.26 0.62 119.30 121.22 1mjv s MET 55 Ca -0.05 1.42 0.01 0.00 -1.71 0.00 0.00 55.69 55.37 1mjv s MET 55 Cb -0.09 -3.66 0.00 0.00 2.01 0.00 0.00 34.83 33.09 1mjv s MET 55 CO 0.01 -0.64 -0.04 1.03 -0.01 0.00 0.00 175.02 175.37 1mjv s ARG 56 N 3.24 0.47 0.24 2.03 1.81 -0.59 -0.64 118.95 125.50 1mjv s ARG 56 Ca 0.46 -0.14 -0.31 0.00 -1.72 0.00 0.00 55.73 54.02 1mjv s ARG 56 Cb -0.16 -0.48 -0.13 0.00 -0.45 0.00 0.00 34.95 33.73 1mjv s ARG 56 CO 0.08 0.05 1.56 0.00 -0.68 0.00 0.00 175.30 176.30 1mjv s GLY 58 N 0.62 -0.58 0.00 0.00 0.00 -0.64 -4.85 107.32 101.87 1mjv s GLY 58 Ca 0.70 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1mjv s GLY 58 CO 0.44 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1mjv n GLY 59 N 0.47 1.86 3.87 0.20 0.00 -1.26 -1.47 105.19 108.86 1mjv n GLY 59 Ca -0.18 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 1mjv n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjv s ALA 60 N -1.50 3.10 0.18 4.61 0.00 -0.19 -4.25 121.76 123.71 1mjv s ALA 60 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 51.99 1mjv s ALA 60 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1mjv s ALA 60 CO 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 175.76 174.97 1mjv h ASN 62 N 2.98 0.72 -2.90 0.00 2.35 -1.99 -3.44 115.58 113.29 1mjv h ASN 62 Ca -0.41 -0.07 -0.50 0.00 -0.55 0.00 0.00 56.30 54.77 1mjv h ASN 62 Cb 1.21 -0.18 -0.14 0.00 0.05 0.00 0.00 38.32 39.26 1mjv h ASN 62 CO 0.55 0.58 -0.72 1.51 -1.65 0.00 0.00 177.43 177.70 1mjv s ASP 63 N -5.85 2.85 0.00 5.81 1.47 -1.26 -5.03 116.67 114.66 1mjv s ASP 63 Ca -0.13 -1.07 0.22 0.00 1.18 0.00 0.00 52.55 52.75 1mjv s ASP 63 Cb 0.13 -0.18 1.31 0.00 -0.34 0.00 0.00 42.92 43.84 1mjv s ASP 63 CO 0.77 -0.18 1.71 -0.62 0.68 0.00 0.00 175.17 177.53 1mjv n GLU 64 N -0.49 0.76 -0.19 2.11 1.02 -1.26 -2.62 120.64 119.97 1mjv n GLU 64 Ca -0.07 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1mjv n GLU 64 Cb 0.61 -1.45 0.18 0.00 -0.02 0.00 0.00 31.44 30.76 1mjv n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjv n GLY 65 N 0.49 0.74 3.36 0.62 0.00 -1.26 -4.87 105.19 104.27 1mjv n GLY 65 Ca 0.16 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1mjv n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mjv s LEU 66 N -1.03 2.48 0.02 0.99 1.43 -1.08 -2.32 118.68 119.17 1mjv s LEU 66 Ca 0.26 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1mjv s LEU 66 Cb 0.13 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 1mjv s LEU 66 CO 0.18 -0.04 -0.01 -1.83 0.23 0.00 0.00 176.35 174.87 1mjv s GLU 67 N -3.03 0.28 -0.34 1.70 -1.05 0.12 -4.83 118.70 111.56 1mjv s GLU 67 Ca 0.19 -0.51 -0.28 0.00 -0.15 0.00 0.00 54.97 54.22 1mjv s GLU 67 Cb -0.05 0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.76 1mjv s GLU 67 CO 0.08 -0.05 1.04 0.00 0.95 0.00 0.00 175.26 177.28 1mjv s VAL 69 N 3.65 0.93 0.30 0.00 -7.23 -0.13 -4.80 120.40 113.12 1mjv s VAL 69 Ca 0.44 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.32 1mjv s VAL 69 Cb -0.12 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 1mjv s VAL 69 CO 0.17 -0.75 1.08 -2.16 -0.31 0.00 0.00 175.10 173.13 1mjv s PRO 70 N -3.80 4.55 0.00 4.82 0.04 -1.26 -0.73 135.00 138.62 1mjv s PRO 70 Ca 0.16 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1mjv s PRO 70 Cb 0.04 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1mjv s PRO 70 CO -0.01 0.16 0.52 0.25 0.04 0.00 0.00 177.00 177.96 1mjv n THR 71 N 0.95 0.18 -3.65 1.26 -2.24 0.20 -4.86 114.28 106.13 1mjv n THR 71 Ca 0.00 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 1mjv n THR 71 Cb 0.46 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1mjv n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mjv s GLU 72 N -0.18 0.72 0.26 -0.78 2.12 -1.18 -4.92 118.70 114.73 1mjv s GLU 72 Ca 0.00 1.09 0.01 0.00 0.36 0.00 0.00 54.97 56.43 1mjv s GLU 72 Cb 0.00 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 1mjv s GLU 72 CO 0.00 -0.13 0.24 -1.83 -0.54 0.00 0.00 175.26 173.00 1mjv s GLU 73 N 1.14 1.48 0.32 4.30 -1.05 -1.26 -0.30 118.70 123.33 1mjv s GLU 73 Ca -0.06 -1.74 -0.18 0.00 -0.15 0.00 0.00 54.97 52.84 1mjv s GLU 73 Cb -0.05 0.32 0.05 0.00 -0.44 0.00 0.00 34.13 34.01 1mjv s GLU 73 CO -0.12 -0.54 0.83 -1.54 0.95 0.00 0.00 175.26 174.85 1mjv s SER 74 N -3.23 -0.05 0.14 0.83 1.04 -0.17 -4.86 113.70 107.40 1mjv s SER 74 Ca 0.37 -0.94 0.10 0.00 0.48 0.00 0.00 55.95 55.97 1mjv s SER 74 Cb 0.04 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1mjv s SER 74 CO 0.18 -1.47 -0.22 0.20 0.98 0.00 0.00 173.24 172.91 1mjv s ASN 75 N -3.09 3.64 -0.02 7.02 -0.87 -1.26 0.53 114.94 120.89 1mjv s ASN 75 Ca 0.16 -0.67 0.01 0.00 -1.57 0.00 0.00 52.86 50.78 1mjv s ASN 75 Cb -0.05 -0.40 0.01 0.00 -0.02 0.00 0.00 41.25 40.79 1mjv s ASN 75 CO 0.09 0.17 -0.04 -0.51 -2.57 0.00 0.00 177.10 174.24 1mjv s ILE 76 N -1.23 0.41 -0.15 0.60 1.10 -0.47 -4.94 121.20 116.52 1mjv s ILE 76 Ca 0.17 -0.14 -0.04 0.00 -0.51 0.00 0.00 60.65 60.13 1mjv s ILE 76 Cb -0.10 -0.40 -0.03 0.00 0.15 0.00 0.00 42.46 42.08 1mjv s ILE 76 CO 0.09 0.15 -0.02 -0.89 -2.11 0.00 0.00 174.94 172.17 1mjv s THR 77 N 0.37 4.10 0.08 4.00 2.01 -1.26 -0.66 115.64 124.27 1mjv s THR 77 Ca -0.04 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.73 1mjv s THR 77 Cb -0.08 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1mjv s THR 77 CO -0.00 0.50 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.23 1mjv s MET 78 N 0.23 0.87 -0.28 4.92 -1.94 0.14 -4.91 119.30 118.33 1mjv s MET 78 Ca -0.01 -1.00 -0.26 0.00 -1.71 0.00 0.00 55.69 52.71 1mjv s MET 78 Cb -0.13 -0.91 0.01 0.00 2.01 0.00 0.00 34.83 35.80 1mjv s MET 78 CO 0.02 0.20 0.92 -0.65 -0.01 0.00 0.00 175.02 175.51 1mjv s GLN 79 N -1.80 4.10 0.01 2.03 -0.21 -1.26 0.07 119.66 122.60 1mjv s GLN 79 Ca -0.00 0.95 0.06 0.00 0.02 0.00 0.00 55.36 56.39 1mjv s GLN 79 Cb -0.10 -3.69 -0.03 0.00 1.00 0.00 0.00 33.01 30.19 1mjv s GLN 79 CO 0.03 -0.69 -0.18 0.42 -2.12 0.00 0.00 175.29 172.75 1mjv s ILE 80 N 3.16 2.76 -0.18 1.08 -1.09 0.15 -4.88 121.20 122.20 1mjv s ILE 80 Ca 0.39 -1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 57.51 1mjv s ILE 80 Cb -0.14 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.60 1mjv s ILE 80 CO 0.11 0.43 0.70 -0.32 -1.23 0.00 0.00 174.94 174.63 1mjv s MET 81 N -1.16 4.26 -0.25 2.79 -2.45 -0.37 -0.56 119.30 121.56 1mjv s MET 81 Ca 0.13 0.77 -0.08 0.00 -1.25 0.00 0.00 55.69 55.26 1mjv s MET 81 Cb -0.10 -3.56 -0.03 0.00 1.25 0.00 0.00 34.83 32.38 1mjv s MET 81 CO 0.03 -0.24 0.09 1.03 1.05 0.00 0.00 175.02 176.98 1mjv s ARG 82 N 1.87 3.72 -0.11 4.11 0.52 0.40 -0.38 118.95 129.08 1mjv s ARG 82 Ca 0.33 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1mjv s ARG 82 Cb -0.16 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1mjv s ARG 82 CO 0.12 -0.15 -0.19 0.42 0.02 0.00 0.00 175.30 175.52 1mjv s ILE 83 N 1.53 2.48 -0.37 1.52 1.01 0.43 -1.83 121.20 125.97 1mjv s ILE 83 Ca 0.06 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1mjv s ILE 83 Cb -0.15 -1.99 0.10 0.00 0.01 0.00 0.00 42.46 40.43 1mjv s ILE 83 CO 0.05 0.54 0.11 -0.54 0.00 0.00 0.00 174.94 175.10 1mjv s LYS 84 N 0.37 1.69 0.03 2.79 1.02 -1.09 -1.42 119.74 123.13 1mjv s LYS 84 Ca -0.15 -1.85 -0.24 0.00 0.02 0.00 0.00 55.97 53.75 1mjv s LYS 84 Cb -0.17 -3.36 -0.12 0.00 -0.52 0.00 0.00 37.83 33.66 1mjv s LYS 84 CO 0.07 -0.99 0.59 -2.30 -0.92 0.00 0.00 175.35 171.80 1mjv n PRO 85 N 4.39 0.00 -4.11 -1.68 -0.02 -1.26 -0.43 135.00 131.89 1mjv n PRO 85 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.21 1mjv n PRO 85 Cb 0.42 -0.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.97 1mjv n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1mjv n HIS 86 N 0.71 -1.52 -1.82 6.00 8.25 -1.26 -4.73 115.22 120.84 1mjv n HIS 86 Ca 0.13 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1mjv n HIS 86 Cb 0.08 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 27.86 1mjv n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1mjv n GLN 87 N -4.45 0.00 0.00 -0.41 6.02 0.43 -5.17 117.38 113.81 1mjv n GLN 87 Ca -0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1mjv n GLN 87 Cb 0.67 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.84 1mjv n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mjv n GLY 88 N 0.00 -2.61 3.00 1.08 0.00 -1.19 -4.86 105.19 100.61 1mjv n GLY 88 Ca 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1mjv n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mjv s GLN 89 N -0.45 0.36 0.04 1.61 -2.07 -1.26 -2.66 119.66 115.22 1mjv s GLN 89 Ca 0.00 -0.66 0.04 0.00 -1.82 0.00 0.00 55.36 52.92 1mjv s GLN 89 Cb 0.00 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.94 1mjv s GLN 89 CO 0.00 -0.04 -0.12 -1.01 -1.32 0.00 0.00 175.29 172.81 1mjv s HIS 90 N -1.53 1.02 -0.23 9.60 3.76 -0.76 -4.98 115.29 122.18 1mjv s HIS 90 Ca -0.14 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.28 1mjv s HIS 90 Cb -0.09 -0.60 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 1mjv s HIS 90 CO -0.01 0.01 0.15 0.42 -0.85 0.00 0.00 174.74 174.46 1mjv s ILE 91 N -0.99 5.37 0.03 0.60 -1.09 -1.26 -0.45 121.20 123.41 1mjv s ILE 91 Ca -0.02 0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1mjv s ILE 91 Cb -0.08 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1mjv s ILE 91 CO 0.01 0.38 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.24 1mjv s GLY 92 N 0.82 0.33 0.13 6.18 0.00 0.27 -4.92 107.32 110.14 1mjv s GLY 92 Ca 0.08 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.65 1mjv s GLY 92 CO 0.02 -0.93 1.08 -0.54 0.00 0.00 0.00 173.10 172.73 1mjv s GLU 93 N -2.49 4.58 -0.02 2.90 2.02 -1.26 0.31 118.70 124.75 1mjv s GLU 93 Ca -0.06 1.65 0.02 0.00 0.02 0.00 0.00 54.97 56.60 1mjv s GLU 93 Cb -0.02 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1mjv s GLU 93 CO -0.05 0.03 -0.07 -1.64 0.02 0.00 0.00 175.26 173.55 1mjv s MET 94 N 0.07 0.72 -0.06 1.61 -1.94 0.11 -4.92 119.30 114.89 1mjv s MET 94 Ca 0.51 -0.24 -0.11 0.00 -1.71 0.00 0.00 55.69 54.13 1mjv s MET 94 Cb -0.27 -0.69 -0.05 0.00 2.01 0.00 0.00 34.83 35.82 1mjv s MET 94 CO 0.32 0.10 0.28 0.45 -0.01 0.00 0.00 175.02 176.17 1mjv s SER 95 N 0.11 6.60 0.01 3.03 0.15 -1.26 -0.68 113.70 121.66 1mjv s SER 95 Ca -0.01 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.39 1mjv s SER 95 Cb -0.06 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1mjv s SER 95 CO -0.00 0.35 -0.09 -0.36 1.20 0.00 0.00 173.24 174.34 1mjv s PHE 96 N -0.97 0.82 0.34 3.44 0.08 0.16 -4.97 117.98 116.89 1mjv s PHE 96 Ca 0.19 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 1mjv s PHE 96 Cb -0.14 -0.51 -0.10 0.00 -0.57 0.00 0.00 43.02 41.70 1mjv s PHE 96 CO 0.09 -0.01 0.98 -1.17 -0.10 0.00 0.00 175.22 175.00 1mjv s LEU 97 N -0.52 4.30 0.05 -0.37 2.96 -1.26 -1.37 118.68 122.47 1mjv s LEU 97 Ca 0.01 1.91 0.07 0.00 -0.22 0.00 0.00 54.13 55.90 1mjv s LEU 97 Cb -0.05 -4.05 -0.03 0.00 0.50 0.00 0.00 46.19 42.57 1mjv s LEU 97 CO 0.00 -0.18 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.55 1mjv s GLN 98 N -2.15 1.31 -0.29 1.98 -1.52 0.19 -4.77 119.66 114.40 1mjv s GLN 98 Ca 0.52 -0.96 -0.10 0.00 -1.95 0.00 0.00 55.36 52.87 1mjv s GLN 98 Cb -0.20 -1.44 -0.03 0.00 -0.22 0.00 0.00 33.01 31.12 1mjv s GLN 98 CO 0.25 0.36 0.17 -1.01 -0.25 0.00 0.00 175.29 174.81 1mjv s HIS 99 N -0.86 3.18 -0.10 0.91 3.76 0.19 -1.00 115.29 121.38 1mjv s HIS 99 Ca 0.07 -0.24 0.21 0.00 -0.15 0.00 0.00 55.06 54.96 1mjv s HIS 99 Cb -0.09 -2.37 -0.24 0.00 1.11 0.00 0.00 32.58 30.99 1mjv s HIS 99 CO 0.02 -0.32 0.59 0.09 -0.85 0.00 0.00 174.74 174.27 1mjv n ASN 100 N 5.02 0.25 -3.74 1.40 4.13 0.58 -4.55 115.26 118.35 1mjv n ASN 100 Ca -0.14 0.10 -0.12 0.00 1.68 0.00 0.00 54.58 56.09 1mjv n ASN 100 Cb 0.51 1.44 -0.11 0.00 -1.54 0.00 0.00 39.78 40.07 1mjv n ASN 100 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mjv s LYS 101 N -3.35 0.37 0.10 3.52 2.47 -1.08 -4.90 119.74 116.87 1mjv s LYS 101 Ca -0.06 0.54 0.08 0.00 -1.56 0.00 0.00 55.97 54.97 1mjv s LYS 101 Cb 0.12 0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.56 1mjv s LYS 101 CO 0.87 -0.09 -0.21 0.00 0.16 0.00 0.00 175.35 176.09 1mjv s GLU 103 N -1.84 0.60 -0.23 0.00 2.02 0.09 -4.83 118.70 114.51 1mjv s GLU 103 Ca 0.06 -0.38 -0.24 0.00 0.02 0.00 0.00 54.97 54.43 1mjv s GLU 103 Cb -0.10 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.38 1mjv s GLU 103 CO 0.04 -0.16 0.82 0.00 0.02 0.00 0.00 175.26 175.98 1mjv s ARG 105 N 2.67 1.09 0.47 0.00 1.81 0.08 -4.86 118.95 120.21 1mjv s ARG 105 Ca 0.35 -1.50 -0.25 0.00 -1.72 0.00 0.00 55.73 52.61 1mjv s ARG 105 Cb -0.16 -0.43 -0.08 0.00 -0.45 0.00 0.00 34.95 33.84 1mjv s ARG 105 CO 0.08 -0.04 1.43 -2.14 -0.68 0.00 0.00 175.30 173.95 1mjv s PRO 106 N -3.84 3.59 -1.55 3.54 0.02 -1.26 0.16 135.00 135.66 1mjv s PRO 106 Ca 0.20 2.43 -0.11 0.00 0.02 0.00 0.00 61.00 63.54 1mjv s PRO 106 Cb 0.05 -2.60 -0.06 0.00 0.02 0.00 0.00 34.50 31.90 1mjv s PRO 106 CO 0.02 -0.90 2.77 1.63 -0.33 0.00 0.00 177.00 180.19 1mjv n LYS 107 N -0.32 3.43 0.00 5.54 5.02 -0.98 -4.74 118.16 126.11 1mjv n LYS 107 Ca 0.06 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 1mjv n LYS 107 Cb 0.42 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1mjv n LYS 107 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24