#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beb s THR 6 N 0.00 1.33 -0.18 1.69 2.01 -1.26 -4.52 115.64 114.71 1beb s THR 6 Ca 0.00 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 1beb s THR 6 Cb 0.00 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1beb s THR 6 CO 0.00 0.28 1.54 -0.32 -0.69 0.00 0.00 174.62 175.43 1beb s MET 7 N -0.65 3.97 0.06 4.92 1.75 -0.58 -4.98 119.30 123.78 1beb s MET 7 Ca 0.06 1.75 -0.31 0.00 -1.25 0.00 0.00 55.69 55.94 1beb s MET 7 Cb -0.07 -3.96 -0.06 0.00 2.84 0.00 0.00 34.83 33.58 1beb s MET 7 CO 0.00 -1.08 1.21 0.21 -0.65 0.00 0.00 175.02 174.71 1beb s LYS 8 N 4.29 4.42 -0.31 4.11 2.20 -1.26 -3.53 119.74 129.66 1beb s LYS 8 Ca 0.68 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1beb s LYS 8 Cb -0.26 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1beb s LYS 8 CO 0.26 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1beb n GLY 9 N 3.24 0.29 3.72 5.54 0.00 -1.26 -4.99 105.19 111.72 1beb n GLY 9 Ca 0.09 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1beb n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1beb s LEU 10 N -0.96 4.37 -0.54 0.99 2.96 -1.23 -4.96 118.68 119.30 1beb s LEU 10 Ca 0.00 2.60 -0.10 0.00 -0.22 0.00 0.00 54.13 56.41 1beb s LEU 10 Cb 0.00 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.24 1beb s LEU 10 CO 0.00 -0.82 0.43 -0.62 -1.32 0.00 0.00 176.35 174.02 1beb s ASP 11 N 1.18 5.84 0.61 3.68 -1.08 -1.26 -4.88 116.67 120.76 1beb s ASP 11 Ca 0.70 -2.11 0.33 0.00 -0.52 0.00 0.00 52.55 50.95 1beb s ASP 11 Cb -0.43 -2.04 1.94 0.00 -1.46 0.00 0.00 42.92 40.92 1beb s ASP 11 CO 0.31 -0.66 2.26 -0.29 0.52 0.00 0.00 175.17 177.31 1beb h ILE 12 N 5.84 0.41 0.00 4.11 6.09 -1.93 -1.87 117.51 130.16 1beb h ILE 12 Ca -0.16 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.30 1beb h ILE 12 Cb 1.06 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.32 1beb h ILE 12 CO 0.85 0.00 -0.17 1.56 -3.07 0.00 0.00 178.15 177.33 1beb h GLN 13 N 0.00 0.00 -0.03 2.19 1.08 -1.94 -2.87 115.11 113.53 1beb h GLN 13 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1beb h GLN 13 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1beb h GLN 13 CO -0.00 0.17 0.00 1.63 -0.95 0.00 0.00 178.83 179.68 1beb n LYS 14 N -4.17 1.20 -0.17 1.46 5.02 -0.70 -3.40 118.16 117.39 1beb n LYS 14 Ca -0.02 -0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1beb n LYS 14 Cb 0.24 -1.38 0.19 0.00 -0.02 0.00 0.00 35.03 34.06 1beb n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1beb n VAL 15 N -0.55 0.48 -1.99 -0.18 0.24 -1.08 -4.83 118.33 110.42 1beb n VAL 15 Ca 0.18 -0.74 -0.40 0.00 -2.04 0.00 0.00 64.34 61.34 1beb n VAL 15 Cb 0.15 0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 33.52 1beb n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1beb s ALA 16 N -1.43 3.28 0.00 2.33 0.00 -1.22 -4.70 121.76 120.03 1beb s ALA 16 Ca 0.35 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1beb s ALA 16 Cb 0.21 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1beb s ALA 16 CO 0.29 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1beb n GLY 17 N 0.64 0.72 3.74 0.00 0.00 -0.45 -4.97 105.19 104.87 1beb n GLY 17 Ca 0.04 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1beb n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1beb s THR 18 N -0.85 3.79 0.19 2.61 2.01 -1.26 -1.49 115.64 120.64 1beb s THR 18 Ca 0.00 1.52 0.03 0.00 0.31 0.00 0.00 61.69 63.55 1beb s THR 18 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1beb s THR 18 CO 0.00 0.25 -0.03 0.26 -0.69 0.00 0.00 174.62 174.41 1beb s TRP 19 N -0.13 1.39 -0.05 4.92 0.52 -1.05 -4.63 118.94 119.91 1beb s TRP 19 Ca 0.51 -0.90 0.03 0.00 0.02 0.00 0.00 56.10 55.75 1beb s TRP 19 Cb -0.30 -0.78 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 1beb s TRP 19 CO 0.35 -0.05 -0.12 0.71 0.02 0.00 0.00 176.95 177.86 1beb s TYR 20 N -3.45 1.37 -0.49 -1.98 1.51 0.11 -4.31 117.35 110.10 1beb s TYR 20 Ca 0.24 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.58 1beb s TYR 20 Cb 0.05 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1beb s TYR 20 CO 0.05 -0.20 1.48 -1.12 -1.11 0.00 0.00 175.55 174.65 1beb s SER 21 N 0.41 6.11 -0.05 2.29 0.01 -1.26 -0.88 113.70 120.34 1beb s SER 21 Ca -0.09 0.56 0.05 0.00 1.31 0.00 0.00 55.95 57.77 1beb s SER 21 Cb -0.13 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.31 1beb s SER 21 CO 0.02 -1.67 0.65 0.25 0.41 0.00 0.00 173.24 172.91 1beb h LEU 22 N 13.11 0.18 -7.35 2.44 6.46 -1.13 -3.46 115.31 125.55 1beb h LEU 22 Ca -0.28 -0.34 -0.08 0.00 -0.12 0.00 0.00 57.88 57.06 1beb h LEU 22 Cb 1.11 -0.06 -0.18 0.00 -0.73 0.00 0.00 40.66 40.81 1beb h LEU 22 CO 1.14 1.30 -0.10 0.00 -0.62 0.00 0.00 178.44 180.16 1beb s ALA 23 N -2.60 -1.07 0.05 1.25 0.00 -1.12 -0.84 121.76 117.44 1beb s ALA 23 Ca -0.10 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 1beb s ALA 23 Cb 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1beb s ALA 23 CO 0.82 -0.40 0.10 0.00 0.00 0.00 0.00 175.76 176.27 1beb s MET 24 N -2.06 0.64 -0.01 0.00 0.23 -0.69 -0.45 119.30 116.96 1beb s MET 24 Ca -0.08 -0.82 -0.14 0.00 -1.03 0.00 0.00 55.69 53.62 1beb s MET 24 Cb -0.02 0.25 0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1beb s MET 24 CO 0.01 -0.16 0.29 0.00 -2.03 0.00 0.00 175.02 173.12 1beb s ALA 25 N -2.92 -0.71 0.03 3.16 0.00 -0.13 -1.00 121.76 120.19 1beb s ALA 25 Ca -0.02 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1beb s ALA 25 Cb 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1beb s ALA 25 CO -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 175.76 175.40 1beb s ALA 26 N -1.48 0.28 0.19 0.00 0.00 -0.73 -0.65 121.76 119.36 1beb s ALA 26 Ca -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1beb s ALA 26 Cb -0.05 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1beb s ALA 26 CO 0.03 -0.26 1.44 0.66 0.00 0.00 0.00 175.76 177.64 1beb h SER 27 N 3.97 0.36 -3.31 0.00 4.64 -1.29 0.97 113.55 118.90 1beb h SER 27 Ca -0.33 -0.25 -0.66 0.00 -0.47 0.00 0.00 61.79 60.08 1beb h SER 27 Cb 1.18 -0.11 -0.29 0.00 -0.31 0.00 0.00 62.40 62.88 1beb h SER 27 CO 0.52 0.99 -0.77 -0.62 -0.87 0.00 0.00 176.83 176.07 1beb s ASP 28 N -6.95 3.91 0.24 4.97 -1.08 -1.26 -3.46 116.67 113.05 1beb s ASP 28 Ca -0.04 -0.40 -0.10 0.00 -0.52 0.00 0.00 52.55 51.49 1beb s ASP 28 Cb 0.11 -1.61 0.37 0.00 -1.46 0.00 0.00 42.92 40.32 1beb s ASP 28 CO 0.83 0.10 1.61 0.40 0.52 0.00 0.00 175.17 178.62 1beb h ILE 29 N 5.57 0.25 -0.36 4.11 2.04 -1.85 0.57 117.51 127.85 1beb h ILE 29 Ca -0.32 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.64 1beb h ILE 29 Cb 1.19 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1beb h ILE 29 CO 0.57 0.00 0.40 0.77 0.00 0.00 0.00 178.15 179.90 1beb h SER 30 N 0.02 0.00 -0.00 1.72 4.64 -1.95 -0.75 113.55 117.23 1beb h SER 30 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 1beb h SER 30 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1beb h SER 30 CO -0.76 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.08 1beb h LEU 31 N 0.00 0.14 0.00 5.97 3.38 -1.28 -3.34 115.31 120.18 1beb h LEU 31 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1beb h LEU 31 Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1beb h LEU 31 CO -0.00 0.21 -0.45 0.18 0.09 0.00 0.00 178.44 178.47 1beb n LEU 32 N -4.39 0.00 -4.70 1.67 4.32 -0.41 -2.30 117.00 111.18 1beb n LEU 32 Ca -0.01 -0.09 -0.42 0.00 -0.02 0.00 0.00 56.01 55.46 1beb n LEU 32 Cb 0.18 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.95 1beb n LEU 32 CO 0.36 0.00 1.41 -0.67 -1.22 0.00 0.00 177.39 177.27 1beb n ASP 33 N -0.86 3.98 -0.51 -1.43 2.03 -0.51 -4.65 116.55 114.60 1beb n ASP 33 Ca 0.00 1.03 0.01 0.00 0.52 0.00 0.00 54.79 56.36 1beb n ASP 33 Cb 0.00 -1.56 -0.01 0.00 -0.72 0.00 0.00 41.12 38.84 1beb n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1beb n ALA 34 N 4.66 -1.05 0.20 -1.67 0.00 -1.26 -4.06 120.51 117.32 1beb n ALA 34 Ca 0.17 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.84 1beb n ALA 34 Cb 0.36 -0.74 0.41 0.00 0.00 0.00 0.00 19.45 19.47 1beb n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1beb h GLN 35 N -0.08 0.01 0.00 0.00 1.08 -1.98 -2.42 115.11 111.72 1beb h GLN 35 Ca -0.02 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1beb h GLN 35 Cb 0.36 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1beb h GLN 35 CO 0.01 0.31 0.00 0.66 -0.95 0.00 0.00 178.83 178.86 1beb h SER 36 N 0.01 0.00 -1.90 1.46 4.64 -1.84 -3.40 113.55 112.51 1beb h SER 36 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1beb h SER 36 Cb 0.54 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.78 1beb h SER 36 CO 0.04 0.00 -0.66 0.00 -0.87 0.00 0.00 176.83 175.34 1beb n ALA 37 N -1.90 -2.31 0.05 5.18 0.00 -0.92 -4.87 120.51 115.75 1beb n ALA 37 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1beb n ALA 37 Cb 0.35 -1.62 0.31 0.00 0.00 0.00 0.00 19.45 18.48 1beb n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1beb h PRO 38 N 0.62 0.39 -0.41 0.00 0.13 -1.81 -3.02 132.00 127.89 1beb h PRO 38 Ca -0.37 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1beb h PRO 38 Cb 1.42 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1beb h PRO 38 CO 0.50 0.51 0.00 1.28 -0.23 0.00 0.00 178.00 180.06 1beb n LEU 39 N -4.23 3.77 -4.27 1.56 4.77 -0.97 -4.77 117.00 112.86 1beb n LEU 39 Ca 0.00 -2.44 -0.43 0.00 -0.03 0.00 0.00 56.01 53.11 1beb n LEU 39 Cb 0.30 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1beb n LEU 39 CO 0.39 0.74 1.88 -1.14 -1.33 0.00 0.00 177.39 177.93 1beb n ARG 40 N 0.39 3.29 -4.32 3.23 3.00 -1.14 -4.89 116.66 116.21 1beb n ARG 40 Ca 0.19 -3.43 -0.26 0.00 -0.00 0.00 0.00 57.85 54.35 1beb n ARG 40 Cb 0.71 -3.19 -0.13 0.00 0.00 0.00 0.00 32.46 29.85 1beb n ARG 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1beb s VAL 41 N 2.38 1.91 -0.21 5.15 -7.23 -1.26 -4.45 120.40 116.68 1beb s VAL 41 Ca 0.46 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1beb s VAL 41 Cb 0.04 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.29 1beb s VAL 41 CO 0.01 -0.01 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.33 1beb s TYR 42 N -1.14 2.96 0.02 2.82 1.51 -0.15 -4.94 117.35 118.43 1beb s TYR 42 Ca 0.09 -1.80 -0.30 0.00 -1.01 0.00 0.00 57.07 54.05 1beb s TYR 42 Cb -0.10 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 1beb s TYR 42 CO 0.05 -0.81 1.38 0.08 -1.11 0.00 0.00 175.55 175.14 1beb s VAL 43 N 1.25 3.69 -0.26 0.71 1.01 -1.26 -0.64 120.40 124.90 1beb s VAL 43 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 1beb s VAL 43 Cb -0.15 -3.71 -0.15 0.00 0.00 0.00 0.00 36.38 32.37 1beb s VAL 43 CO -0.09 0.01 -0.22 -0.62 0.00 0.00 0.00 175.10 174.18 1beb n GLU 44 N 5.12 0.60 -3.63 2.72 1.02 0.40 -4.06 120.64 122.81 1beb n GLU 44 Ca 0.13 0.29 -0.16 0.00 -0.02 0.00 0.00 57.16 57.40 1beb n GLU 44 Cb 0.44 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1beb n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1beb s GLU 45 N -2.49 0.85 -0.18 3.49 2.12 -0.96 -2.54 118.70 118.98 1beb s GLU 45 Ca -0.36 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1beb s GLU 45 Cb 0.12 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.92 1beb s GLU 45 CO 0.54 -0.23 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.34 1beb s LEU 46 N -0.95 2.28 -0.36 2.70 1.02 -0.56 -0.55 118.68 122.26 1beb s LEU 46 Ca -0.10 -0.59 0.03 0.00 0.02 0.00 0.00 54.13 53.49 1beb s LEU 46 Cb -0.02 -1.53 0.11 0.00 0.02 0.00 0.00 46.19 44.77 1beb s LEU 46 CO 0.06 0.01 0.10 -0.54 0.02 0.00 0.00 176.35 176.00 1beb s LYS 47 N 1.26 1.37 0.52 1.70 1.02 0.49 -1.34 119.74 124.76 1beb s LYS 47 Ca 0.04 -1.82 -0.20 0.00 0.02 0.00 0.00 55.97 54.01 1beb s LYS 47 Cb -0.14 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.20 1beb s LYS 47 CO -0.10 -0.99 1.11 -1.25 -0.92 0.00 0.00 175.35 173.21 1beb s PRO 48 N 0.86 3.50 0.37 -1.68 0.04 -1.26 -1.25 135.00 135.57 1beb s PRO 48 Ca 0.12 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1beb s PRO 48 Cb -0.20 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1beb s PRO 48 CO -0.10 -0.72 0.61 0.95 0.04 0.00 0.00 177.00 177.78 1beb s THR 49 N -1.78 5.03 0.57 1.26 -4.23 0.33 -4.90 115.64 111.91 1beb s THR 49 Ca 0.70 -0.13 0.26 0.00 -1.18 0.00 0.00 61.69 61.35 1beb s THR 49 Cb -0.23 -3.82 0.35 0.00 1.34 0.00 0.00 72.50 70.13 1beb s THR 49 CO 0.26 -0.57 2.13 1.55 -0.54 0.00 0.00 174.62 177.46 1beb h PRO 50 N 0.89 0.00 0.00 3.99 0.13 -1.96 -0.76 132.00 134.29 1beb h PRO 50 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1beb h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1beb h PRO 50 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1beb n GLU 51 N -4.05 0.63 -0.47 0.86 -0.58 -1.26 -4.88 120.64 110.89 1beb n GLU 51 Ca 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1beb n GLU 51 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1beb n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1beb n GLY 52 N 0.63 0.74 3.97 0.62 0.00 -0.29 -5.00 105.19 105.86 1beb n GLY 52 Ca 0.16 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1beb n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1beb s ASP 53 N -2.19 4.55 -0.05 1.61 1.01 -1.26 -4.38 116.67 115.96 1beb s ASP 53 Ca 0.00 -0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.19 1beb s ASP 53 Cb 0.00 -0.48 0.03 0.00 1.01 0.00 0.00 42.92 43.48 1beb s ASP 53 CO 0.00 -1.72 0.05 -0.22 0.21 0.00 0.00 175.17 173.49 1beb s LEU 54 N -5.14 0.24 -0.23 1.23 2.96 -0.33 -0.51 118.68 116.90 1beb s LEU 54 Ca 0.64 0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 54.43 1beb s LEU 54 Cb -0.07 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 1beb s LEU 54 CO 0.44 -0.24 0.38 -0.70 -1.32 0.00 0.00 176.35 174.91 1beb s GLU 55 N 2.13 4.12 -0.14 1.98 2.12 -0.38 0.10 118.70 128.62 1beb s GLU 55 Ca 0.05 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1beb s GLU 55 Cb -0.12 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.70 1beb s GLU 55 CO -0.04 -0.11 -0.20 -1.50 -0.54 0.00 0.00 175.26 172.88 1beb s ILE 56 N 1.54 2.28 -0.16 -3.70 1.10 0.92 -0.38 121.20 122.80 1beb s ILE 56 Ca 0.17 -0.91 -0.05 0.00 -0.51 0.00 0.00 60.65 59.35 1beb s ILE 56 Cb -0.15 -1.93 -0.04 0.00 0.15 0.00 0.00 42.46 40.50 1beb s ILE 56 CO 0.08 0.54 0.03 -0.22 -2.11 0.00 0.00 174.94 173.26 1beb s LEU 57 N 0.80 3.66 0.21 8.50 2.96 0.29 -0.80 118.68 134.31 1beb s LEU 57 Ca -0.07 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1beb s LEU 57 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1beb s LEU 57 CO -0.01 0.22 0.27 -1.48 -1.32 0.00 0.00 176.35 174.03 1beb s LEU 58 N 0.07 0.84 -0.06 -0.68 0.05 0.61 -0.46 118.68 119.06 1beb s LEU 58 Ca 0.04 -1.17 0.03 0.00 0.05 0.00 0.00 54.13 53.08 1beb s LEU 58 Cb -0.13 0.97 -0.03 0.00 -2.05 0.00 0.00 46.19 44.96 1beb s LEU 58 CO 0.01 -0.96 -0.12 -1.10 -0.55 0.00 0.00 176.35 173.63 1beb s GLN 59 N -4.09 2.58 -0.00 1.48 -0.21 0.19 -0.35 119.66 119.26 1beb s GLN 59 Ca 0.30 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1beb s GLN 59 Cb 0.04 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1beb s GLN 59 CO 0.10 0.62 -0.01 0.21 -2.12 0.00 0.00 175.29 174.09 1beb s LYS 60 N -0.73 0.12 -0.22 2.91 2.47 0.21 -0.97 119.74 123.53 1beb s LYS 60 Ca 0.11 -0.03 -0.28 0.00 -1.56 0.00 0.00 55.97 54.21 1beb s LYS 60 Cb -0.11 -0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 1beb s LYS 60 CO 0.01 0.01 0.96 -0.46 0.16 0.00 0.00 175.35 176.03 1beb s TRP 61 N 0.07 3.36 0.09 4.03 -0.00 -1.26 0.15 118.94 125.38 1beb s TRP 61 Ca -0.00 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 57.47 1beb s TRP 61 Cb -0.02 -3.18 0.00 0.00 -0.00 0.00 0.00 33.47 30.27 1beb s TRP 61 CO -0.00 -0.41 0.00 0.39 -0.00 0.00 0.00 176.95 176.92 1beb n GLU 62 N 6.01 0.00 -3.37 5.86 1.02 -0.02 -4.68 120.64 125.46 1beb n GLU 62 Ca 0.09 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.97 1beb n GLU 62 Cb 0.47 -0.36 -0.09 0.00 -0.02 0.00 0.00 31.44 31.44 1beb n GLU 62 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1beb n ASN 63 N -3.29 1.03 0.00 1.62 2.85 -1.26 -4.82 115.26 111.39 1beb n ASN 63 Ca 0.00 -2.81 0.00 0.00 -0.11 0.00 0.00 54.58 51.66 1beb n ASN 63 Cb 0.00 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.38 1beb n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1beb n GLY 64 N 1.74 0.66 3.18 8.20 0.00 -1.26 -4.94 105.19 112.78 1beb n GLY 64 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1beb n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1beb s GLU 65 N -0.41 1.05 -0.61 1.61 -1.05 -1.26 -5.11 118.70 112.92 1beb s GLU 65 Ca 0.00 -1.53 -0.18 0.00 -0.15 0.00 0.00 54.97 53.11 1beb s GLU 65 Cb 0.00 0.22 0.12 0.00 -0.44 0.00 0.00 34.13 34.03 1beb s GLU 65 CO 0.00 -0.31 0.69 0.00 0.95 0.00 0.00 175.26 176.59 1beb s ALA 67 N 2.32 3.06 -0.11 0.00 0.00 0.12 -4.84 121.76 122.31 1beb s ALA 67 Ca 0.11 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1beb s ALA 67 Cb -0.24 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1beb s ALA 67 CO 0.04 -0.54 -0.16 -1.14 0.00 0.00 0.00 175.76 173.96 1beb s GLN 68 N -4.70 3.19 0.04 0.00 0.74 -1.26 -0.62 119.66 117.04 1beb s GLN 68 Ca 0.57 -0.74 0.06 0.00 0.05 0.00 0.00 55.36 55.30 1beb s GLN 68 Cb -0.11 -2.51 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1beb s GLN 68 CO 0.45 0.26 -0.18 0.15 -0.55 0.00 0.00 175.29 175.41 1beb s LYS 69 N 0.21 1.22 -0.09 1.67 -0.14 0.53 -4.98 119.74 118.16 1beb s LYS 69 Ca -0.10 -0.84 0.04 0.00 -1.36 0.00 0.00 55.97 53.71 1beb s LYS 69 Cb -0.16 -1.28 -0.01 0.00 -1.68 0.00 0.00 37.83 34.71 1beb s LYS 69 CO 0.06 0.33 -0.23 0.21 -0.76 0.00 0.00 175.35 174.96 1beb s LYS 70 N -1.08 2.92 -0.04 1.68 2.20 -1.26 -0.28 119.74 123.88 1beb s LYS 70 Ca 0.05 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1beb s LYS 70 Cb -0.08 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1beb s LYS 70 CO 0.01 0.26 -0.15 0.42 -0.36 0.00 0.00 175.35 175.53 1beb s ILE 71 N 0.15 1.29 -0.31 5.43 1.01 0.02 -4.96 121.20 123.84 1beb s ILE 71 Ca -0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1beb s ILE 71 Cb -0.16 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1beb s ILE 71 CO 0.07 0.38 0.19 -0.63 0.00 0.00 0.00 174.94 174.94 1beb s ILE 72 N 0.02 5.04 -0.23 2.92 -1.09 -1.26 -0.06 121.20 126.54 1beb s ILE 72 Ca -0.03 -0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.16 1beb s ILE 72 Cb -0.10 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1beb s ILE 72 CO 0.02 0.12 0.12 0.00 -1.23 0.00 0.00 174.94 173.96 1beb s ALA 73 N 1.70 3.45 0.05 9.38 0.00 0.28 -4.70 121.76 131.92 1beb s ALA 73 Ca 0.06 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 1beb s ALA 73 Cb -0.17 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 1beb s ALA 73 CO 0.09 -0.22 0.69 -1.21 0.00 0.00 0.00 175.76 175.11 1beb s GLU 74 N 1.12 4.42 0.72 0.00 2.02 0.98 -1.18 118.70 126.78 1beb s GLU 74 Ca 0.06 0.94 -0.13 0.00 0.02 0.00 0.00 54.97 55.86 1beb s GLU 74 Cb -0.14 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.80 1beb s GLU 74 CO 0.04 0.39 1.12 -1.59 0.02 0.00 0.00 175.26 175.24 1beb s LYS 75 N -0.36 2.38 0.06 1.61 -2.85 -1.26 0.36 119.74 119.68 1beb s LYS 75 Ca 0.35 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.72 1beb s LYS 75 Cb -0.20 -1.90 -0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1beb s LYS 75 CO 0.21 -1.58 0.01 0.25 0.10 0.00 0.00 175.35 174.34 1beb n THR 76 N -2.94 0.00 0.59 3.79 -2.24 -1.21 -4.71 114.28 107.57 1beb n THR 76 Ca 0.11 -0.33 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1beb n THR 76 Cb 0.52 0.09 0.45 0.00 -2.10 0.00 0.00 70.33 69.29 1beb n THR 76 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1beb n LYS 77 N -0.16 0.21 -3.56 -0.78 4.76 -1.26 -4.43 118.16 112.95 1beb n LYS 77 Ca -0.02 0.25 -0.39 0.00 -2.87 0.00 0.00 58.31 55.28 1beb n LYS 77 Cb 0.09 -1.78 -0.11 0.00 -1.84 0.00 0.00 35.03 31.39 1beb n LYS 77 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1beb s ILE 78 N -3.15 5.25 0.49 -0.18 -1.09 -1.26 -4.99 121.20 116.28 1beb s ILE 78 Ca 0.09 -0.10 0.20 0.00 -2.23 0.00 0.00 60.65 58.61 1beb s ILE 78 Cb 0.12 -3.63 0.36 0.00 -1.58 0.00 0.00 42.46 37.73 1beb s ILE 78 CO 0.52 0.08 2.00 -0.65 -1.23 0.00 0.00 174.94 175.66 1beb h PRO 79 N 8.44 0.14 -0.36 2.79 0.11 -1.92 -2.41 132.00 138.80 1beb h PRO 79 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1beb h PRO 79 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1beb h PRO 79 CO 0.61 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 1beb n ALA 80 N -2.59 2.45 -2.95 -0.75 0.00 -1.26 -4.84 120.51 110.57 1beb n ALA 80 Ca 0.09 -0.84 -0.31 0.00 0.00 0.00 0.00 53.44 52.38 1beb n ALA 80 Cb 0.49 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.81 1beb n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1beb s VAL 81 N -1.53 1.95 0.09 0.00 1.01 -0.91 0.07 120.40 121.08 1beb s VAL 81 Ca 0.36 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1beb s VAL 81 Cb 0.20 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1beb s VAL 81 CO 0.28 0.54 -0.10 -0.36 0.00 0.00 0.00 175.10 175.46 1beb s PHE 82 N 0.06 1.02 -0.12 5.22 0.40 -0.56 -3.32 117.98 120.68 1beb s PHE 82 Ca -0.09 -0.65 -0.06 0.00 -0.60 0.00 0.00 56.93 55.53 1beb s PHE 82 Cb -0.15 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1beb s PHE 82 CO 0.05 -0.01 0.08 0.15 0.70 0.00 0.00 175.22 176.19 1beb s LYS 83 N -2.71 3.43 0.07 0.44 1.02 0.16 -1.59 119.74 120.56 1beb s LYS 83 Ca 0.04 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1beb s LYS 83 Cb -0.03 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1beb s LYS 83 CO -0.00 0.64 -0.05 0.96 -0.92 0.00 0.00 175.35 175.97 1beb s ILE 84 N -0.65 0.46 -0.51 2.17 -4.36 -0.83 -0.01 121.20 117.47 1beb s ILE 84 Ca 0.12 -1.81 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 1beb s ILE 84 Cb -0.12 -1.52 0.21 0.00 1.25 0.00 0.00 42.46 42.28 1beb s ILE 84 CO 0.02 -0.90 0.50 -0.67 0.24 0.00 0.00 174.94 174.14 1beb n ASP 85 N 0.14 1.26 -3.56 4.36 2.03 -1.26 -3.77 116.55 115.75 1beb n ASP 85 Ca -0.14 -2.85 -0.17 0.00 0.52 0.00 0.00 54.79 52.16 1beb n ASP 85 Cb 0.60 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 1beb n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1beb s ALA 86 N -1.09 -1.73 -1.71 -1.67 0.00 -1.06 -4.94 121.76 109.54 1beb s ALA 86 Ca 0.33 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1beb s ALA 86 Cb 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1beb s ALA 86 CO -0.13 -0.36 0.00 1.28 0.00 0.00 0.00 175.76 176.55 1beb n LEU 87 N 1.49 -1.87 -0.96 0.00 4.77 -1.26 -0.86 117.00 118.32 1beb n LEU 87 Ca -0.17 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1beb n LEU 87 Cb 0.56 -2.80 -0.05 0.00 -2.33 0.00 0.00 43.42 38.80 1beb n LEU 87 CO 0.17 -0.26 -0.12 0.59 -1.33 0.00 0.00 177.39 176.45 1beb n ASN 88 N -1.72 -5.36 -4.73 -1.43 3.02 -1.26 -4.96 115.26 98.81 1beb n ASN 88 Ca -0.23 0.31 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 1beb n ASN 88 Cb 0.68 -3.96 -0.07 0.00 -0.61 0.00 0.00 39.78 35.82 1beb n ASN 88 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1beb s GLU 89 N -2.98 2.69 0.00 3.52 0.41 -0.04 -4.56 118.70 117.74 1beb s GLU 89 Ca 0.00 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 1beb s GLU 89 Cb 0.00 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1beb s GLU 89 CO 0.00 0.51 0.47 0.27 -0.49 0.00 0.00 175.26 176.03 1beb n ASN 90 N 0.16 0.70 -3.84 -0.19 6.94 -0.78 -2.58 115.26 115.67 1beb n ASN 90 Ca -0.09 -1.22 -0.12 0.00 -0.02 0.00 0.00 54.58 53.12 1beb n ASN 90 Cb 0.53 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.84 1beb n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1beb s LYS 91 N -0.22 0.32 -0.08 -3.83 2.20 -0.84 -1.97 119.74 115.31 1beb s LYS 91 Ca 0.00 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1beb s LYS 91 Cb 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1beb s LYS 91 CO 0.00 -0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.81 1beb s VAL 92 N -0.55 1.75 -0.12 4.02 1.01 -0.62 -1.94 120.40 123.95 1beb s VAL 92 Ca -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1beb s VAL 92 Cb -0.04 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1beb s VAL 92 CO 0.01 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 1beb s LEU 93 N 0.38 2.33 -0.30 3.92 2.01 0.72 -1.49 118.68 126.25 1beb s LEU 93 Ca -0.16 -0.49 -0.18 0.00 0.01 0.00 0.00 54.13 53.32 1beb s LEU 93 Cb -0.17 -1.50 -0.02 0.00 0.01 0.00 0.00 46.19 44.52 1beb s LEU 93 CO 0.07 0.14 0.53 -0.69 1.01 0.00 0.00 176.35 177.40 1beb s VAL 94 N 0.50 5.03 -0.02 -1.59 1.01 0.11 -1.10 120.40 124.34 1beb s VAL 94 Ca -0.13 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 1beb s VAL 94 Cb -0.17 -3.90 -0.31 0.00 0.00 0.00 0.00 36.38 32.01 1beb s VAL 94 CO 0.05 -0.05 0.76 -0.07 0.00 0.00 0.00 175.10 175.79 1beb h LEU 95 N 8.94 0.62 -7.00 3.92 4.07 -0.74 -1.54 115.31 123.58 1beb h LEU 95 Ca -0.28 -0.85 0.22 0.00 0.08 0.00 0.00 57.88 57.04 1beb h LEU 95 Cb 1.13 -0.20 -0.24 0.00 1.08 0.00 0.00 40.66 42.44 1beb h LEU 95 CO 0.74 1.71 0.83 -0.62 -1.08 0.00 0.00 178.44 180.02 1beb s ASP 96 N -7.29 -0.14 -0.19 -0.43 2.15 -1.17 -3.21 116.67 106.40 1beb s ASP 96 Ca -0.13 0.10 -0.29 0.00 0.43 0.00 0.00 52.55 52.66 1beb s ASP 96 Cb 0.05 0.12 0.13 0.00 -0.30 0.00 0.00 42.92 42.92 1beb s ASP 96 CO 0.87 -0.16 1.02 0.28 -0.17 0.00 0.00 175.17 177.01 1beb s THR 97 N -1.51 0.00 -1.83 1.71 -1.32 -1.26 -0.62 115.64 110.81 1beb s THR 97 Ca 0.07 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.71 1beb s THR 97 Cb -0.01 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.18 1beb s THR 97 CO -0.05 0.00 1.09 -0.90 -2.21 0.00 0.00 174.62 172.56 1beb n ASP 98 N 1.12 2.58 0.00 8.08 5.68 -1.14 -4.97 116.55 127.90 1beb n ASP 98 Ca -0.11 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1beb n ASP 98 Cb 0.57 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1beb n ASP 98 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1beb n TYR 99 N 0.91 0.00 0.11 2.11 4.01 -1.25 -4.48 117.16 118.56 1beb n TYR 99 Ca 0.11 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.67 1beb n TYR 99 Cb 0.42 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.33 1beb n TYR 99 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1beb h LYS 100 N 0.00 0.39 0.00 -0.72 1.57 -1.93 -3.44 116.57 112.44 1beb h LYS 100 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1beb h LYS 100 Cb 0.00 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1beb h LYS 100 CO 0.00 1.26 -0.21 1.17 -0.57 0.00 0.00 179.45 181.11 1beb n LYS 101 N -3.64 0.00 -4.35 3.15 4.81 -1.26 -4.73 118.16 112.13 1beb n LYS 101 Ca -0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.15 1beb n LYS 101 Cb 1.00 -0.38 -0.10 0.00 0.02 0.00 0.00 35.03 35.57 1beb n LYS 101 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1beb s TYR 102 N -2.00 1.64 -0.19 5.64 1.13 -1.26 -0.61 117.35 121.70 1beb s TYR 102 Ca 0.00 -1.16 -0.12 0.00 -1.41 0.00 0.00 57.07 54.37 1beb s TYR 102 Cb 0.00 -0.98 0.06 0.00 -1.10 0.00 0.00 41.96 39.94 1beb s TYR 102 CO 0.00 -0.29 0.47 -1.17 -2.51 0.00 0.00 175.55 172.05 1beb s LEU 103 N -3.37 -0.13 -0.10 -3.49 0.20 -0.59 -2.90 118.68 108.30 1beb s LEU 103 Ca 0.37 1.00 0.02 0.00 0.69 0.00 0.00 54.13 56.21 1beb s LEU 103 Cb 0.07 1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 47.41 1beb s LEU 103 CO 0.15 -0.19 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.09 1beb s LEU 104 N 1.08 2.58 0.11 -0.68 1.43 0.21 -0.82 118.68 122.59 1beb s LEU 104 Ca -0.07 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1beb s LEU 104 Cb -0.06 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1beb s LEU 104 CO -0.10 0.22 0.27 0.72 0.23 0.00 0.00 176.35 177.69 1beb s PHE 105 N 0.03 0.05 0.09 0.29 -0.71 -0.95 -0.10 117.98 116.68 1beb s PHE 105 Ca -0.06 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 55.44 1beb s PHE 105 Cb -0.15 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.69 1beb s PHE 105 CO 0.05 -0.62 -0.10 0.00 -1.34 0.00 0.00 175.22 173.21 1beb s MET 107 N -2.57 1.84 0.04 0.00 -1.94 0.21 -0.20 119.30 116.68 1beb s MET 107 Ca 0.03 -1.47 -0.27 0.00 -1.71 0.00 0.00 55.69 52.27 1beb s MET 107 Cb -0.04 -1.98 0.09 0.00 2.01 0.00 0.00 34.83 34.91 1beb s MET 107 CO 0.00 0.40 0.87 -2.00 -0.01 0.00 0.00 175.02 174.28 1beb s GLU 108 N -3.00 0.94 -0.39 2.03 2.12 -0.82 -1.33 118.70 118.25 1beb s GLU 108 Ca 0.25 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 1beb s GLU 108 Cb -0.07 0.41 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1beb s GLU 108 CO 0.14 -0.42 0.23 1.21 -0.54 0.00 0.00 175.26 175.89 1beb s ASN 109 N -2.60 5.76 0.57 -1.70 3.84 -1.26 -1.87 114.94 117.69 1beb s ASN 109 Ca 0.06 -1.12 0.33 0.00 0.21 0.00 0.00 52.86 52.34 1beb s ASN 109 Cb -0.01 -2.03 1.41 0.00 -0.55 0.00 0.00 41.25 40.07 1beb s ASN 109 CO -0.07 -0.44 1.72 0.77 -2.79 0.00 0.00 177.10 176.29 1beb h SER 110 N 8.46 0.00 0.13 -4.21 4.64 -1.94 -0.27 113.55 120.36 1beb h SER 110 Ca -0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 1beb h SER 110 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1beb h SER 110 CO 0.70 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 176.25 1beb h ALA 111 N 1.22 1.00 -1.42 5.18 0.00 -1.99 -3.39 119.26 119.86 1beb h ALA 111 Ca 0.44 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 1beb h ALA 111 Cb 2.10 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 19.54 1beb h ALA 111 CO -0.00 0.62 -0.69 -1.91 0.00 0.00 0.00 179.25 177.27 1beb n GLU 112 N -4.02 0.45 -0.22 0.00 4.07 -0.14 -5.02 120.64 115.76 1beb n GLU 112 Ca -0.02 -2.45 0.02 0.00 -0.06 0.00 0.00 57.16 54.66 1beb n GLU 112 Cb 0.50 -1.52 0.14 0.00 -0.06 0.00 0.00 31.44 30.49 1beb n GLU 112 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1beb h PRO 113 N 5.07 0.34 -1.01 5.31 0.11 -1.70 -2.77 132.00 137.35 1beb h PRO 113 Ca 0.11 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.32 1beb h PRO 113 Cb 1.02 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.97 1beb h PRO 113 CO 0.18 0.22 0.64 0.93 -0.21 0.00 0.00 178.00 179.76 1beb h GLU 114 N 0.35 0.98 -0.93 1.05 3.07 -1.95 0.81 114.58 117.95 1beb h GLU 114 Ca 0.35 -0.06 -0.50 0.00 -0.50 0.00 0.00 59.36 58.66 1beb h GLU 114 Cb 0.52 -0.22 -0.29 0.00 -0.84 0.00 0.00 28.75 27.93 1beb h GLU 114 CO -0.39 0.65 0.59 1.04 -1.40 0.00 0.00 179.01 179.49 1beb n GLN 115 N -4.61 2.26 0.00 2.33 1.13 -1.05 -4.20 117.38 113.24 1beb n GLN 115 Ca 0.19 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 52.18 1beb n GLN 115 Cb 0.35 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.55 1beb n GLN 115 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1beb n SER 116 N -1.12 0.00 -4.66 1.08 2.88 -0.05 -4.89 113.62 106.86 1beb n SER 116 Ca 0.57 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.69 1beb n SER 116 Cb 1.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.93 1beb n SER 116 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1beb s LEU 117 N 0.00 4.24 -0.05 2.46 2.96 0.08 -4.37 118.68 123.99 1beb s LEU 117 Ca 0.00 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1beb s LEU 117 Cb 0.00 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.17 1beb s LEU 117 CO 0.00 -0.79 -0.08 0.54 -1.32 0.00 0.00 176.35 174.71 1beb s VAL 118 N 3.44 0.79 0.11 1.68 0.11 -0.45 -1.09 120.40 124.99 1beb s VAL 118 Ca 0.60 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 59.45 1beb s VAL 118 Cb -0.26 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1beb s VAL 118 CO 0.20 0.28 -0.17 0.00 -3.33 0.00 0.00 175.10 172.08 1beb s GLN 120 N -2.17 0.71 -0.26 0.00 -0.21 0.69 -0.96 119.66 117.47 1beb s GLN 120 Ca 0.06 -1.07 -0.03 0.00 0.02 0.00 0.00 55.36 54.34 1beb s GLN 120 Cb -0.08 -0.30 0.02 0.00 1.00 0.00 0.00 33.01 33.65 1beb s GLN 120 CO 0.04 0.03 -0.03 0.00 -2.12 0.00 0.00 175.29 173.21 1beb s LEU 122 N 1.38 3.70 0.13 0.00 1.43 0.00 -0.48 118.68 124.84 1beb s LEU 122 Ca 0.01 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1beb s LEU 122 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1beb s LEU 122 CO -0.03 0.25 -0.16 0.68 0.23 0.00 0.00 176.35 177.32 1beb s VAL 123 N -1.20 1.47 0.14 -1.59 -7.23 -0.06 -1.54 120.40 110.39 1beb s VAL 123 Ca 0.23 -1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 58.60 1beb s VAL 123 Cb -0.12 -1.57 -0.12 0.00 0.56 0.00 0.00 36.38 35.13 1beb s VAL 123 CO 0.14 -0.34 1.38 0.03 -0.31 0.00 0.00 175.10 176.00 1beb h ARG 124 N 3.57 0.70 -6.54 4.82 2.47 -1.12 0.31 114.38 118.59 1beb h ARG 124 Ca -0.41 -0.52 -0.65 0.00 -1.26 0.00 0.00 59.98 57.14 1beb h ARG 124 Cb 1.20 0.09 -0.16 0.00 -1.65 0.00 0.00 29.97 29.45 1beb h ARG 124 CO 0.49 1.14 -0.75 0.95 0.56 0.00 0.00 179.97 182.36 1beb s THR 125 N -3.83 3.08 -1.17 2.04 -4.23 -1.26 -4.66 115.64 105.61 1beb s THR 125 Ca -0.09 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1beb s THR 125 Cb 0.10 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 71.32 1beb s THR 125 CO 0.88 -0.03 3.06 -0.81 -0.54 0.00 0.00 174.62 177.18 1beb n PRO 126 N 0.33 3.16 -4.35 3.99 -0.04 -1.26 -4.82 135.00 132.00 1beb n PRO 126 Ca -0.12 -1.84 -0.23 0.00 -0.04 0.00 0.00 63.50 61.27 1beb n PRO 126 Cb 0.54 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.32 1beb n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1beb s GLU 127 N 1.97 1.33 -0.16 0.54 2.02 -1.26 -4.76 118.70 118.38 1beb s GLU 127 Ca 0.67 -1.44 -0.28 0.00 0.02 0.00 0.00 54.97 53.94 1beb s GLU 127 Cb 0.21 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 1beb s GLU 127 CO -0.04 0.30 0.95 0.54 0.02 0.00 0.00 175.26 177.03 1beb s VAL 128 N -1.95 4.79 -0.34 2.63 0.11 -1.26 -5.00 120.40 119.38 1beb s VAL 128 Ca 0.17 1.88 -0.04 0.00 -2.93 0.00 0.00 61.98 61.06 1beb s VAL 128 Cb -0.06 -4.25 0.06 0.00 -1.53 0.00 0.00 36.38 30.60 1beb s VAL 128 CO 0.07 -0.04 0.09 -0.62 -3.33 0.00 0.00 175.10 171.28 1beb s ASP 129 N 1.15 5.14 0.48 3.54 2.15 -1.26 -5.00 116.67 122.87 1beb s ASP 129 Ca 0.43 -1.41 0.25 0.00 0.43 0.00 0.00 52.55 52.25 1beb s ASP 129 Cb -0.17 -1.80 1.22 0.00 -0.30 0.00 0.00 42.92 41.88 1beb s ASP 129 CO 0.13 -0.36 1.97 0.44 -0.17 0.00 0.00 175.17 177.18 1beb h ASP 130 N 8.10 0.00 -0.05 -0.34 3.32 -1.98 -1.58 116.42 123.90 1beb h ASP 130 Ca -0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1beb h ASP 130 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1beb h ASP 130 CO 0.60 0.18 0.00 -0.08 -1.72 0.00 0.00 179.24 178.22 1beb h GLU 131 N 0.00 0.08 -0.38 3.56 4.81 -1.97 0.70 114.58 121.38 1beb h GLU 131 Ca -0.00 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1beb h GLU 131 Cb 0.49 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1beb h GLU 131 CO 0.02 0.36 0.03 0.00 -0.73 0.00 0.00 179.01 178.70 1beb h ALA 132 N 0.72 0.37 -0.29 2.92 0.00 -1.92 0.17 119.26 121.23 1beb h ALA 132 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1beb h ALA 132 Cb 0.32 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1beb h ALA 132 CO 0.00 -0.37 0.00 -0.07 0.00 0.00 0.00 179.25 178.81 1beb h LEU 133 N 0.14 0.41 0.67 0.00 3.38 -1.12 -0.68 115.31 118.11 1beb h LEU 133 Ca 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1beb h LEU 133 Cb 0.24 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1beb h LEU 133 CO -0.28 0.47 -0.32 -0.08 0.09 0.00 0.00 178.44 178.32 1beb h GLU 134 N 0.43 -0.86 -0.72 1.13 4.57 0.19 -2.14 114.58 117.18 1beb h GLU 134 Ca 0.10 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 1beb h GLU 134 Cb 0.28 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 28.99 1beb h GLU 134 CO 0.01 -0.56 0.34 0.87 -1.18 0.00 0.00 179.01 178.49 1beb h LYS 135 N -0.94 0.55 -0.36 1.92 6.56 -0.38 -2.35 116.57 121.57 1beb h LYS 135 Ca -0.09 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1beb h LYS 135 Cb 0.70 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 1beb h LYS 135 CO 0.15 0.36 0.20 0.35 -2.06 0.00 0.00 179.45 178.45 1beb h PHE 136 N 0.57 0.37 -0.41 -1.35 3.57 -0.99 -1.31 116.94 117.38 1beb h PHE 136 Ca 0.37 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1beb h PHE 136 Cb 0.43 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1beb h PHE 136 CO -0.12 0.21 0.06 -0.44 -2.23 0.00 0.00 178.31 175.79 1beb h ASP 137 N 0.40 0.58 -0.29 0.41 3.32 -0.86 -1.84 116.42 118.13 1beb h ASP 137 Ca 0.15 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1beb h ASP 137 Cb 0.03 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1beb h ASP 137 CO -0.08 0.61 -0.29 0.11 -1.72 0.00 0.00 179.24 177.86 1beb h LYS 138 N 0.60 0.71 -0.96 3.56 1.57 -1.17 -2.04 116.57 118.84 1beb h LYS 138 Ca 0.13 -0.37 0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1beb h LYS 138 Cb 0.28 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1beb h LYS 138 CO 0.00 0.99 0.61 0.00 -0.57 0.00 0.00 179.45 180.49 1beb h ALA 139 N 0.71 1.55 -0.47 3.86 0.00 -0.95 -1.85 119.26 122.11 1beb h ALA 139 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1beb h ALA 139 Cb 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1beb h ALA 139 CO 0.07 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1beb n LEU 140 N -4.56 3.57 0.14 0.00 4.32 -0.72 -4.15 117.00 115.60 1beb n LEU 140 Ca 0.17 -1.80 0.02 0.00 -0.02 0.00 0.00 56.01 54.38 1beb n LEU 140 Cb 0.30 -0.49 0.06 0.00 -1.62 0.00 0.00 43.42 41.67 1beb n LEU 140 CO 0.30 0.61 0.46 0.07 -1.22 0.00 0.00 177.39 177.61 1beb h LYS 141 N 2.94 0.00 -0.46 3.23 2.10 -0.64 -3.26 116.57 120.48 1beb h LYS 141 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1beb h LYS 141 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1beb h LYS 141 CO 0.17 0.55 0.00 0.00 -2.00 0.00 0.00 179.45 178.17 1beb n ALA 142 N -2.25 2.73 -2.58 0.07 0.00 -1.26 -4.95 120.51 112.26 1beb n ALA 142 Ca 0.01 -1.61 -0.28 0.00 0.00 0.00 0.00 53.44 51.56 1beb n ALA 142 Cb 0.73 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 1beb n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1beb s LEU 143 N -1.77 3.04 -1.43 0.00 1.43 -1.23 -5.05 118.68 113.67 1beb s LEU 143 Ca 0.40 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1beb s LEU 143 Cb 0.26 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.77 1beb s LEU 143 CO 0.18 0.13 2.48 -0.81 0.23 0.00 0.00 176.35 178.57 1beb n PRO 144 N 0.29 4.03 -2.65 1.29 -0.04 -1.26 -4.98 135.00 131.68 1beb n PRO 144 Ca -0.12 -3.00 -0.42 0.00 -0.04 0.00 0.00 63.50 59.92 1beb n PRO 144 Cb 0.54 -2.78 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1beb n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1beb s MET 145 N 0.48 4.50 0.00 0.54 -1.94 -1.26 -4.26 119.30 117.36 1beb s MET 145 Ca 0.56 1.47 0.12 0.00 -1.71 0.00 0.00 55.69 56.14 1beb s MET 145 Cb 0.17 -3.47 0.02 0.00 2.01 0.00 0.00 34.83 33.55 1beb s MET 145 CO -0.07 -0.17 0.74 0.72 -0.01 0.00 0.00 175.02 176.24 1beb n HIS 146 N 4.25 0.00 -3.73 -0.03 8.25 0.32 -4.94 115.22 119.34 1beb n HIS 146 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1beb n HIS 146 Cb 0.50 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1beb n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1beb s ILE 147 N -1.44 -0.02 -0.02 1.59 2.07 -1.12 -4.73 121.20 117.53 1beb s ILE 147 Ca 0.11 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 1beb s ILE 147 Cb 0.10 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.22 1beb s ILE 147 CO 0.27 0.03 -0.05 -0.13 -1.91 0.00 0.00 174.94 173.15 1beb s ARG 148 N 0.82 0.62 -0.00 3.50 0.52 -1.26 -1.78 118.95 121.37 1beb s ARG 148 Ca -0.05 -0.15 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 1beb s ARG 148 Cb -0.06 -0.63 -0.01 0.00 0.52 0.00 0.00 34.95 34.77 1beb s ARG 148 CO -0.06 0.03 -0.12 -0.51 0.02 0.00 0.00 175.30 174.66 1beb s LEU 149 N 0.36 2.05 -0.02 2.53 1.43 -0.17 -5.01 118.68 119.85 1beb s LEU 149 Ca -0.04 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1beb s LEU 149 Cb -0.08 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.53 1beb s LEU 149 CO -0.00 0.13 -0.07 -0.94 0.23 0.00 0.00 176.35 175.70 1beb s SER 150 N -0.43 0.90 0.38 2.29 1.04 -1.26 -1.70 113.70 114.92 1beb s SER 150 Ca 0.04 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.39 1beb s SER 150 Cb -0.05 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 1beb s SER 150 CO -0.00 0.05 0.53 -0.36 0.98 0.00 0.00 173.24 174.44 1beb s PHE 151 N 0.12 3.06 0.28 5.02 0.08 -0.02 -5.01 117.98 121.51 1beb s PHE 151 Ca -0.01 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.88 1beb s PHE 151 Cb -0.06 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1beb s PHE 151 CO -0.00 -0.18 0.44 -0.80 -0.10 0.00 0.00 175.22 174.59 1beb s ASN 152 N -4.22 6.32 0.37 1.36 0.02 -1.26 -4.95 114.94 112.57 1beb s ASN 152 Ca 0.48 0.28 0.06 0.00 -1.02 0.00 0.00 52.86 52.65 1beb s ASN 152 Cb -0.10 -1.95 0.75 0.00 0.02 0.00 0.00 41.25 39.97 1beb s ASN 152 CO 0.33 -0.16 1.98 -0.65 0.02 0.00 0.00 177.10 178.61 1beb h PRO 153 N 1.12 0.71 0.05 -0.60 0.11 -1.95 0.67 132.00 132.11 1beb h PRO 153 Ca -0.50 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.59 1beb h PRO 153 Cb 1.22 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1beb h PRO 153 CO 0.62 0.47 -0.29 1.15 -0.21 0.00 0.00 178.00 179.75 1beb h THR 154 N 0.73 0.36 0.00 -1.15 2.02 -1.94 0.12 112.91 113.05 1beb h THR 154 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 1beb h THR 154 Cb 0.20 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1beb h THR 154 CO -0.09 0.00 -0.06 1.56 0.37 0.00 0.00 175.52 177.30 1beb h GLN 155 N -0.46 0.00 -0.05 6.66 4.20 -1.04 -2.35 115.11 122.07 1beb h GLN 155 Ca 0.05 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1beb h GLN 155 Cb 0.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1beb h GLN 155 CO -0.22 0.06 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.19 1beb h LEU 156 N 0.00 0.73 -0.21 1.46 3.38 0.26 0.56 115.31 121.49 1beb h LEU 156 Ca -0.00 -0.71 -0.22 0.00 0.09 0.00 0.00 57.88 57.04 1beb h LEU 156 Cb 0.37 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1beb h LEU 156 CO 0.01 1.34 -0.81 -0.33 0.09 0.00 0.00 178.44 178.73 1beb h GLU 157 N 0.20 0.64 0.21 1.13 5.08 -0.76 -3.23 114.58 117.85 1beb h GLU 157 Ca -0.08 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 57.72 1beb h GLU 157 Cb 1.41 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1beb h GLU 157 CO 0.15 1.17 -0.10 0.93 -1.00 0.00 0.00 179.01 180.16 1beb h GLU 158 N 0.42 -0.28 0.00 2.33 3.07 -1.51 -3.47 114.58 115.15 1beb h GLU 158 Ca -0.06 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1beb h GLU 158 Cb 1.43 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 1beb h GLU 158 CO 0.16 0.08 0.00 1.04 -1.40 0.00 0.00 179.01 178.88 1beb n GLN 159 N -5.04 0.00 0.00 2.33 1.13 0.19 -5.08 117.38 110.91 1beb n GLN 159 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1beb n GLN 159 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.60 1beb n GLN 159 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62