#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s ASP 1 N 0.00 4.73 -0.36 6.12 1.01 -1.26 -4.94 116.67 121.97 3bdm s ASP 1 Ca 0.00 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.10 3bdm s ASP 1 Cb 0.00 -0.59 -0.00 0.00 1.01 0.00 0.00 42.92 43.34 3bdm s ASP 1 CO 0.00 -1.58 0.25 -0.63 0.21 0.00 0.00 175.17 173.42 3bdm s ILE 2 N -3.06 5.16 -0.29 0.77 -1.09 -1.26 -4.72 121.20 116.72 3bdm s ILE 2 Ca 0.62 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 3bdm s ILE 2 Cb -0.08 -3.74 0.09 0.00 -1.58 0.00 0.00 42.46 37.15 3bdm s ILE 2 CO 0.43 -0.11 0.06 -0.63 -1.23 0.00 0.00 174.94 173.45 3bdm s ILE 3 N 1.69 1.19 0.15 2.92 -1.09 -1.26 -0.80 121.20 124.00 3bdm s ILE 3 Ca 0.05 -1.44 0.10 0.00 -2.23 0.00 0.00 60.65 57.14 3bdm s ILE 3 Cb -0.18 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 3bdm s ILE 3 CO 0.10 -0.51 -0.21 -0.76 -1.23 0.00 0.00 174.94 172.33 3bdm s LEU 4 N 1.48 2.56 -0.15 2.97 1.43 -0.04 -1.78 118.68 125.15 3bdm s LEU 4 Ca 0.06 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 3bdm s LEU 4 Cb -0.18 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.73 3bdm s LEU 4 CO -0.17 0.15 0.36 -0.83 0.23 0.00 0.00 176.35 176.10 3bdm s GLY 5 N -2.36 -0.27 -0.04 -3.19 0.00 0.41 -1.55 107.32 100.32 3bdm s GLY 5 Ca 0.19 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.29 3bdm s GLY 5 CO 0.10 1.58 -0.03 -1.50 0.00 0.00 0.00 173.10 173.25 3bdm s ILE 6 N 1.40 0.43 -0.33 0.90 2.07 0.14 -0.06 121.20 125.75 3bdm s ILE 6 Ca -0.09 -0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 58.98 3bdm s ILE 6 Cb -0.09 -0.47 -0.00 0.00 0.13 0.00 0.00 42.46 42.03 3bdm s ILE 6 CO -0.12 0.20 0.17 -0.60 -1.91 0.00 0.00 174.94 172.68 3bdm s ARG 7 N 0.90 3.23 0.00 3.50 3.52 0.37 0.25 118.95 130.72 3bdm s ARG 7 Ca -0.11 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 3bdm s ARG 7 Cb -0.14 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 3bdm s ARG 7 CO -0.00 -0.48 0.00 1.33 -0.81 0.00 0.00 175.30 175.34 3bdm n VAL 8 N 4.99 0.00 0.16 7.11 0.24 -0.30 -4.83 118.33 125.71 3bdm n VAL 8 Ca -0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 3bdm n VAL 8 Cb 0.48 -0.23 -0.08 0.00 -1.47 0.00 0.00 33.84 32.55 3bdm n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3bdm h GLN 9 N 0.00 -0.38 -0.04 7.34 5.75 -1.14 -3.38 115.11 123.26 3bdm h GLN 9 Ca 0.00 0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 3bdm h GLN 9 Cb 0.00 0.09 -0.23 0.00 1.07 0.00 0.00 27.48 28.40 3bdm h GLN 9 CO 0.00 -0.13 -0.82 -0.25 -2.65 0.00 0.00 178.83 174.98 3bdm n ASP 10 N -5.18 1.45 -3.68 -0.69 8.00 -1.26 -4.64 116.55 110.55 3bdm n ASP 10 Ca -0.10 -2.84 -0.02 0.00 0.71 0.00 0.00 54.79 52.55 3bdm n ASP 10 Cb 0.23 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 3bdm n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3bdm s SER 11 N -2.64 -0.13 -0.04 -2.24 1.04 -1.26 -4.44 113.70 103.98 3bdm s SER 11 Ca 0.36 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.59 3bdm s SER 11 Cb 0.38 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 3bdm s SER 11 CO -0.12 -0.60 -0.20 -0.69 0.98 0.00 0.00 173.24 172.61 3bdm s VAL 12 N -2.88 1.67 -0.11 5.02 1.01 -0.37 -1.15 120.40 123.61 3bdm s VAL 12 Ca 0.13 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3bdm s VAL 12 Cb 0.01 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3bdm s VAL 12 CO -0.01 0.47 -0.15 -0.63 0.00 0.00 0.00 175.10 174.78 3bdm s ILE 13 N -0.10 2.90 -0.14 2.22 1.01 0.14 -1.09 121.20 126.14 3bdm s ILE 13 Ca -0.02 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.91 3bdm s ILE 13 Cb -0.12 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.18 3bdm s ILE 13 CO 0.02 0.54 -0.19 -0.76 0.00 0.00 0.00 174.94 174.56 3bdm s LEU 14 N 0.11 1.94 -0.11 2.97 1.43 -0.56 -0.69 118.68 123.78 3bdm s LEU 14 Ca -0.07 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3bdm s LEU 14 Cb -0.15 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3bdm s LEU 14 CO 0.05 0.02 -0.08 0.00 0.23 0.00 0.00 176.35 176.57 3bdm s ALA 15 N 1.07 2.87 -0.09 4.21 0.00 -0.60 -1.57 121.76 127.65 3bdm s ALA 15 Ca -0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 3bdm s ALA 15 Cb -0.14 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.73 3bdm s ALA 15 CO -0.06 0.39 0.19 -1.12 0.00 0.00 0.00 175.76 175.17 3bdm s SER 16 N -0.19 0.30 0.31 0.00 0.01 -0.51 -0.86 113.70 112.75 3bdm s SER 16 Ca 0.02 0.41 -0.27 0.00 1.31 0.00 0.00 55.95 57.42 3bdm s SER 16 Cb -0.13 0.36 -0.14 0.00 0.21 0.00 0.00 66.02 66.32 3bdm s SER 16 CO 0.03 -0.21 0.85 -1.54 0.41 0.00 0.00 173.24 172.78 3bdm n SER 17 N 4.88 0.50 -0.22 2.44 3.41 0.02 -1.54 113.62 123.12 3bdm n SER 17 Ca -0.14 1.11 0.12 0.00 -0.26 0.00 0.00 58.87 59.70 3bdm n SER 17 Cb 0.51 -1.21 0.16 0.00 -0.26 0.00 0.00 64.21 63.41 3bdm n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bdm n LYS 18 N 0.69 0.62 -2.90 4.33 5.02 -0.30 -4.69 118.16 120.94 3bdm n LYS 18 Ca 0.11 -0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 55.62 3bdm n LYS 18 Cb 0.33 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 3bdm n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bdm s ALA 19 N -2.68 3.17 -0.31 7.82 0.00 -0.80 -1.00 121.76 127.97 3bdm s ALA 19 Ca 0.17 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3bdm s ALA 19 Cb 0.18 -3.06 0.11 0.00 0.00 0.00 0.00 23.12 20.35 3bdm s ALA 19 CO 0.63 0.20 0.14 0.08 0.00 0.00 0.00 175.76 176.81 3bdm s VAL 20 N -1.93 0.20 -0.07 0.00 1.01 -0.08 -4.90 120.40 114.63 3bdm s VAL 20 Ca 0.55 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3bdm s VAL 20 Cb -0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3bdm s VAL 20 CO 0.17 -0.77 0.06 -0.89 0.00 0.00 0.00 175.10 173.68 3bdm s THR 21 N 1.77 4.77 -0.37 3.92 2.01 -1.26 -0.43 115.64 126.04 3bdm s THR 21 Ca 0.11 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3bdm s THR 21 Cb -0.18 -3.08 0.12 0.00 0.01 0.00 0.00 72.50 69.37 3bdm s THR 21 CO -0.27 0.53 0.17 -0.13 -0.69 0.00 0.00 174.62 174.22 3bdm s ARG 22 N -1.20 0.98 5.23 4.92 1.81 -0.09 -4.91 118.95 125.68 3bdm s ARG 22 Ca 0.17 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 3bdm s ARG 22 Cb -0.12 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 3bdm s ARG 22 CO 0.07 -1.08 0.00 0.41 -0.68 0.00 0.00 175.30 174.02 3bdm n GLY 23 N 4.19 1.60 0.06 -3.53 0.00 -1.26 -2.97 105.19 103.29 3bdm n GLY 23 Ca 0.04 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3bdm n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3bdm n ILE 24 N 0.00 0.29 -5.10 -0.61 3.06 -1.26 -4.94 119.36 110.80 3bdm n ILE 24 Ca 0.00 -0.46 -0.32 0.00 -2.50 0.00 0.00 62.75 59.47 3bdm n ILE 24 Cb 0.00 -0.08 -0.15 0.00 0.54 0.00 0.00 39.64 39.96 3bdm n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 3bdm s SER 25 N -4.71 3.52 -0.66 9.51 0.01 -1.16 -5.07 113.70 115.15 3bdm s SER 25 Ca -0.02 -0.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.66 3bdm s SER 25 Cb 0.12 -0.70 0.07 0.00 0.21 0.00 0.00 66.02 65.71 3bdm s SER 25 CO 0.84 0.31 0.99 -0.69 0.41 0.00 0.00 173.24 175.10 3bdm s VAL 26 N -0.54 4.26 0.21 3.43 1.01 -1.26 -0.91 120.40 126.60 3bdm s VAL 26 Ca 0.07 -0.26 0.19 0.00 0.00 0.00 0.00 61.98 61.98 3bdm s VAL 26 Cb -0.11 -4.70 0.15 0.00 0.00 0.00 0.00 36.38 31.71 3bdm s VAL 26 CO 0.01 -1.49 1.77 -0.07 0.00 0.00 0.00 175.10 175.32 3bdm h LEU 27 N 11.51 0.00 -7.35 3.92 3.38 -1.10 -3.46 115.31 122.21 3bdm h LEU 27 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 3bdm h LEU 27 Cb 1.07 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.61 3bdm h LEU 27 CO 1.19 0.35 -0.18 -0.75 0.09 0.00 0.00 178.44 179.14 3bdm s LYS 28 N -3.72 0.67 0.00 1.13 2.20 -1.07 -4.99 119.74 113.97 3bdm s LYS 28 Ca -0.00 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3bdm s LYS 28 Cb 0.11 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 3bdm s LYS 28 CO 0.68 -0.16 0.85 -0.40 -0.36 0.00 0.00 175.35 175.95 3bdm n ASP 29 N 1.80 1.64 -2.55 1.43 3.85 -1.25 -0.91 116.55 120.56 3bdm n ASP 29 Ca -0.18 -1.71 -0.15 0.00 -0.71 0.00 0.00 54.79 52.05 3bdm n ASP 29 Cb 0.56 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.36 3bdm n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3bdm n SER 30 N -0.35 2.90 -4.79 -1.12 3.41 -1.04 -4.51 113.62 108.12 3bdm n SER 30 Ca 0.00 -3.02 -0.38 0.00 -0.26 0.00 0.00 58.87 55.22 3bdm n SER 30 Cb 0.21 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 3bdm n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bdm s ASP 31 N -3.44 6.69 -0.65 4.04 -1.08 -0.17 -5.04 116.67 117.02 3bdm s ASP 31 Ca 0.36 0.82 -0.12 0.00 -0.52 0.00 0.00 52.55 53.10 3bdm s ASP 31 Cb 0.41 -2.24 0.17 0.00 -1.46 0.00 0.00 42.92 39.80 3bdm s ASP 31 CO -0.04 0.20 0.56 -0.62 0.52 0.00 0.00 175.17 175.79 3bdm s ASP 32 N -0.34 6.16 -0.38 -0.34 3.68 -1.26 -4.35 116.67 119.83 3bdm s ASP 32 Ca 0.22 -2.33 -0.07 0.00 2.13 0.00 0.00 52.55 52.51 3bdm s ASP 32 Cb -0.15 -2.11 -0.21 0.00 -1.45 0.00 0.00 42.92 39.00 3bdm s ASP 32 CO 0.10 -0.64 3.27 0.29 0.13 0.00 0.00 175.17 178.32 3bdm n LYS 33 N 4.41 2.26 -3.78 4.34 5.02 -1.26 -4.83 118.16 124.31 3bdm n LYS 33 Ca 0.01 -1.22 -0.10 0.00 -2.02 0.00 0.00 58.31 54.99 3bdm n LYS 33 Cb 0.42 -2.16 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 3bdm n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3bdm s THR 34 N 1.45 0.11 -0.05 -0.18 -1.32 -1.26 -1.96 115.64 112.43 3bdm s THR 34 Ca 0.63 -0.93 -0.04 0.00 -1.21 0.00 0.00 61.69 60.14 3bdm s THR 34 Cb 0.26 -1.21 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3bdm s THR 34 CO -0.01 -0.51 0.12 -0.13 -2.21 0.00 0.00 174.62 171.87 3bdm s ARG 35 N -3.57 0.12 -0.15 7.08 1.81 -0.25 -5.00 118.95 119.00 3bdm s ARG 35 Ca 0.02 0.19 -0.21 0.00 -1.72 0.00 0.00 55.73 54.01 3bdm s ARG 35 Cb 0.03 0.02 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 3bdm s ARG 35 CO -0.10 -0.04 0.61 -1.14 -0.68 0.00 0.00 175.30 173.96 3bdm s GLN 36 N 0.24 4.30 -0.06 3.54 0.74 -1.26 -0.99 119.66 126.17 3bdm s GLN 36 Ca -0.02 0.65 0.14 0.00 0.05 0.00 0.00 55.36 56.18 3bdm s GLN 36 Cb -0.03 -3.51 -0.23 0.00 1.10 0.00 0.00 33.01 30.34 3bdm s GLN 36 CO -0.01 -0.08 0.58 1.28 -0.55 0.00 0.00 175.29 176.52 3bdm n LEU 37 N 4.42 0.74 -3.76 3.68 4.77 0.21 -4.93 117.00 122.15 3bdm n LEU 37 Ca -0.03 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.24 3bdm n LEU 37 Cb 0.51 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3bdm n LEU 37 CO 0.45 0.39 0.53 -0.94 -1.33 0.00 0.00 177.39 176.48 3bdm s SER 38 N -5.98 -0.29 0.55 -1.43 1.04 -1.13 -4.21 113.70 102.25 3bdm s SER 38 Ca -0.05 -0.45 0.37 0.00 0.48 0.00 0.00 55.95 56.30 3bdm s SER 38 Cb 0.08 0.64 1.53 0.00 0.10 0.00 0.00 66.02 68.37 3bdm s SER 38 CO 0.83 -1.16 1.76 1.55 0.98 0.00 0.00 173.24 177.20 3bdm h PRO 39 N 2.00 0.00 0.00 4.02 0.13 -2.00 -2.02 132.00 134.13 3bdm h PRO 39 Ca -0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 3bdm h PRO 39 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3bdm h PRO 39 CO 0.26 0.00 -0.25 0.72 -0.23 0.00 0.00 178.00 178.50 3bdm n HIS 40 N -4.06 0.00 -3.69 1.56 8.25 -1.26 -3.70 115.22 112.32 3bdm n HIS 40 Ca 0.26 -1.03 -0.20 0.00 -0.26 0.00 0.00 57.72 56.48 3bdm n HIS 40 Cb 1.29 -0.17 -0.18 0.00 1.12 0.00 0.00 29.99 32.05 3bdm n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3bdm s THR 41 N -2.58 -0.03 0.04 1.59 2.01 -0.76 -0.66 115.64 115.24 3bdm s THR 41 Ca 0.31 0.37 0.09 0.00 0.31 0.00 0.00 61.69 62.77 3bdm s THR 41 Cb 0.29 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.56 3bdm s THR 41 CO -0.01 0.19 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.63 3bdm s LEU 42 N 2.09 2.22 -0.08 4.42 2.96 0.48 -0.62 118.68 130.16 3bdm s LEU 42 Ca 0.04 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3bdm s LEU 42 Cb -0.12 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.28 3bdm s LEU 42 CO -0.03 0.26 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.91 3bdm s MET 43 N -1.22 0.96 0.09 1.98 -2.45 -0.16 -0.51 119.30 118.00 3bdm s MET 43 Ca 0.12 -0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.47 3bdm s MET 43 Cb -0.10 -1.16 -0.05 0.00 1.25 0.00 0.00 34.83 34.77 3bdm s MET 43 CO 0.02 -0.25 0.32 -1.54 1.05 0.00 0.00 175.02 174.62 3bdm s SER 44 N 1.71 6.47 0.04 1.11 1.04 0.02 -1.09 113.70 122.99 3bdm s SER 44 Ca 0.02 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 3bdm s SER 44 Cb -0.13 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.94 3bdm s SER 44 CO -0.05 0.13 0.23 0.72 0.98 0.00 0.00 173.24 175.24 3bdm s PHE 45 N -1.54 0.00 -0.16 5.02 -0.12 -0.83 -0.45 117.98 119.90 3bdm s PHE 45 Ca 0.37 -0.18 -0.22 0.00 -0.05 0.00 0.00 56.93 56.85 3bdm s PHE 45 Cb -0.13 0.01 0.06 0.00 -0.63 0.00 0.00 43.02 42.33 3bdm s PHE 45 CO 0.23 -0.44 0.57 0.00 -0.05 0.00 0.00 175.22 175.53 3bdm s ALA 46 N -2.43 -1.42 0.00 1.99 0.00 -0.24 -4.82 121.76 114.83 3bdm s ALA 46 Ca -0.06 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3bdm s ALA 46 Cb -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3bdm s ALA 46 CO -0.03 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3bdm n GLY 47 N 2.22 -0.54 3.76 0.00 0.00 -1.26 -0.41 105.19 108.95 3bdm n GLY 47 Ca -0.16 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 3bdm n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bdm s GLU 48 N -1.78 3.47 0.26 1.61 2.56 0.52 -4.86 118.70 120.47 3bdm s GLU 48 Ca 0.00 2.26 -0.07 0.00 0.00 0.00 0.00 54.97 57.16 3bdm s GLU 48 Cb 0.00 -2.46 0.46 0.00 2.00 0.00 0.00 34.13 34.13 3bdm s GLU 48 CO 0.00 -0.94 1.60 0.00 -0.56 0.00 0.00 175.26 175.36 3bdm h ALA 49 N 1.94 0.73 0.01 6.30 0.00 -2.01 -2.50 119.26 123.73 3bdm h ALA 49 Ca -0.51 0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 3bdm h ALA 49 Cb 1.28 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 3bdm h ALA 49 CO 0.59 -0.44 -1.65 0.41 0.00 0.00 0.00 179.25 178.17 3bdm n GLY 50 N -1.51 -0.72 0.32 0.00 0.00 -1.26 -4.46 105.19 97.56 3bdm n GLY 50 Ca 0.15 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3bdm n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bdm h ASP 51 N -0.92 -0.55 -0.32 1.61 5.19 -1.90 -2.77 116.42 116.76 3bdm h ASP 51 Ca -0.45 0.26 0.03 0.00 -0.62 0.00 0.00 57.03 56.25 3bdm h ASP 51 Cb 1.44 0.47 -0.04 0.00 0.18 0.00 0.00 39.33 41.38 3bdm h ASP 51 CO -0.24 -0.29 -0.24 0.00 -3.12 0.00 0.00 179.24 175.34 3bdm h THR 52 N 0.04 0.00 -0.14 0.35 1.03 -1.66 0.14 112.91 112.66 3bdm h THR 52 Ca 0.51 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.85 3bdm h THR 52 Cb 0.94 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 68.01 3bdm h THR 52 CO -0.86 0.00 -0.11 0.58 -0.01 0.00 0.00 175.52 175.12 3bdm h VAL 53 N -0.07 1.34 -0.94 0.00 2.07 -1.76 -2.80 116.25 114.09 3bdm h VAL 53 Ca 0.05 -1.24 0.15 0.00 0.82 0.00 0.00 66.70 66.49 3bdm h VAL 53 Cb 0.20 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 3bdm h VAL 53 CO -0.34 0.36 0.60 1.56 0.02 0.00 0.00 177.57 179.77 3bdm h GLN 54 N -0.04 0.73 0.08 1.57 1.08 -1.31 -0.69 115.11 116.52 3bdm h GLN 54 Ca 0.03 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3bdm h GLN 54 Cb 0.62 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3bdm h GLN 54 CO 0.03 0.48 -0.04 0.35 -0.95 0.00 0.00 178.83 178.70 3bdm h PHE 55 N 0.75 -0.09 -0.18 2.96 3.04 -0.70 -2.40 116.94 120.32 3bdm h PHE 55 Ca 0.49 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.49 3bdm h PHE 55 Cb 0.75 0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.23 3bdm h PHE 55 CO -0.00 0.42 -0.28 0.00 -2.02 0.00 0.00 178.31 176.42 3bdm h ALA 56 N 0.14 -0.26 -0.89 2.41 0.00 -1.15 0.70 119.26 120.21 3bdm h ALA 56 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3bdm h ALA 56 Cb 0.56 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3bdm h ALA 56 CO 0.02 -0.74 0.52 0.93 0.00 0.00 0.00 179.25 179.98 3bdm h GLU 57 N -0.33 1.22 -0.06 0.00 5.08 -1.24 0.27 114.58 119.51 3bdm h GLU 57 Ca 0.11 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3bdm h GLU 57 Cb 0.50 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3bdm h GLU 57 CO -0.36 0.86 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.56 3bdm h TYR 58 N 1.23 -0.08 -0.78 4.33 3.20 -0.84 0.15 116.97 124.19 3bdm h TYR 58 Ca 0.32 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3bdm h TYR 58 Cb -0.03 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3bdm h TYR 58 CO 0.00 -0.05 0.45 0.82 -1.64 0.00 0.00 178.16 177.74 3bdm h ILE 59 N -0.03 1.22 0.89 1.81 1.08 -0.29 -2.26 117.51 119.94 3bdm h ILE 59 Ca 0.04 -0.51 -0.04 0.00 -0.39 0.00 0.00 64.86 63.96 3bdm h ILE 59 Cb 0.08 0.14 0.01 0.00 -3.07 0.00 0.00 36.82 33.98 3bdm h ILE 59 CO -0.08 0.24 -0.44 -0.61 -0.69 0.00 0.00 178.15 176.57 3bdm h GLN 60 N 1.08 -1.17 -0.85 2.37 4.15 0.28 -1.91 115.11 119.06 3bdm h GLN 60 Ca 0.28 0.08 0.22 0.00 0.77 0.00 0.00 58.65 59.99 3bdm h GLN 60 Cb -0.02 0.27 -0.15 0.00 0.21 0.00 0.00 27.48 27.79 3bdm h GLN 60 CO -0.05 -0.78 0.10 0.00 -1.93 0.00 0.00 178.83 176.17 3bdm h ALA 61 N -1.42 1.05 -0.63 3.38 0.00 -0.55 0.31 119.26 121.42 3bdm h ALA 61 Ca -0.12 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3bdm h ALA 61 Cb 0.93 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3bdm h ALA 61 CO 0.19 -0.47 0.03 -0.91 0.00 0.00 0.00 179.25 178.10 3bdm h ASN 62 N 0.12 1.05 0.26 0.00 4.21 -1.27 -1.51 115.58 118.44 3bdm h ASN 62 Ca 0.50 -0.28 -0.16 0.00 1.21 0.00 0.00 56.30 57.57 3bdm h ASN 62 Cb 0.98 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 3bdm h ASN 62 CO -0.72 1.08 -0.61 0.40 -1.29 0.00 0.00 177.43 176.29 3bdm h ILE 63 N 0.99 1.37 -0.56 2.81 2.04 -0.18 -1.74 117.51 122.24 3bdm h ILE 63 Ca 0.18 -1.96 -0.09 0.00 1.00 0.00 0.00 64.86 63.99 3bdm h ILE 63 Cb 0.52 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 3bdm h ILE 63 CO 0.03 0.59 -0.01 1.56 0.00 0.00 0.00 178.15 180.31 3bdm h GLN 64 N 0.26 0.98 -0.45 2.37 4.20 -0.98 -1.88 115.11 119.62 3bdm h GLN 64 Ca -0.01 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3bdm h GLN 64 Cb 1.14 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3bdm h GLN 64 CO 0.10 0.98 0.24 1.25 -0.67 0.00 0.00 178.83 180.73 3bdm h LEU 65 N 0.90 0.56 -0.84 1.46 5.85 -1.08 -1.03 115.31 121.13 3bdm h LEU 65 Ca 0.16 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3bdm h LEU 65 Cb 0.54 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3bdm h LEU 65 CO 0.03 0.50 0.56 0.22 -0.34 0.00 0.00 178.44 179.41 3bdm h TYR 66 N 0.58 1.06 0.06 1.25 3.20 -1.07 0.70 116.97 122.75 3bdm h TYR 66 Ca 0.16 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3bdm h TYR 66 Cb 0.07 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 3bdm h TYR 66 CO -0.02 0.66 -0.10 0.77 -1.64 0.00 0.00 178.16 177.84 3bdm h SER 67 N 1.14 -0.27 -0.09 -2.11 0.02 -0.83 0.19 113.55 111.60 3bdm h SER 67 Ca 0.31 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3bdm h SER 67 Cb -0.13 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3bdm h SER 67 CO -0.07 -0.15 0.06 0.40 -1.14 0.00 0.00 176.83 175.93 3bdm h ILE 68 N -0.20 1.06 -0.74 3.27 1.08 -0.88 1.54 117.51 122.64 3bdm h ILE 68 Ca 0.02 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3bdm h ILE 68 Cb 0.21 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3bdm h ILE 68 CO -0.06 0.06 0.33 -0.09 -0.69 0.00 0.00 178.15 177.70 3bdm h ARG 69 N 0.08 1.08 -0.00 2.37 2.43 -0.73 -3.12 114.38 116.49 3bdm h ARG 69 Ca 0.03 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3bdm h ARG 69 Cb 0.04 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3bdm h ARG 69 CO -0.01 0.85 -0.80 0.39 -1.51 0.00 0.00 179.97 178.89 3bdm n GLU 70 N -4.31 0.58 -3.92 0.20 4.71 0.67 -4.98 120.64 113.60 3bdm n GLU 70 Ca 0.07 -0.32 -0.28 0.00 -0.01 0.00 0.00 57.16 56.62 3bdm n GLU 70 Cb 0.16 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 29.12 3bdm n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3bdm n ASP 71 N -1.00 -1.42 -3.53 1.62 4.64 0.52 -4.94 116.55 112.44 3bdm n ASP 71 Ca 0.06 -1.03 -0.16 0.00 -1.38 0.00 0.00 54.79 52.27 3bdm n ASP 71 Cb 0.36 -2.99 -0.06 0.00 -1.04 0.00 0.00 41.12 37.39 3bdm n ASP 71 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3bdm s TYR 72 N -3.86 -0.59 -0.30 -0.67 5.04 -1.11 -5.05 117.35 110.81 3bdm s TYR 72 Ca 0.12 1.00 -0.09 0.00 -2.44 0.00 0.00 57.07 55.66 3bdm s TYR 72 Cb -0.05 0.42 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 3bdm s TYR 72 CO 0.89 -0.54 0.13 -2.00 -1.34 0.00 0.00 175.55 172.69 3bdm s GLU 73 N -1.19 3.34 0.35 4.97 2.12 -1.26 -4.12 118.70 122.91 3bdm s GLU 73 Ca -0.09 -0.71 -0.28 0.00 0.36 0.00 0.00 54.97 54.26 3bdm s GLU 73 Cb -0.00 -3.50 -0.12 0.00 0.26 0.00 0.00 34.13 30.77 3bdm s GLU 73 CO 0.08 -0.39 1.30 1.28 -0.54 0.00 0.00 175.26 176.99 3bdm n LEU 74 N 4.95 3.65 -4.73 2.70 4.77 -1.26 -4.95 117.00 122.14 3bdm n LEU 74 Ca -0.14 1.21 -0.33 0.00 -0.03 0.00 0.00 56.01 56.71 3bdm n LEU 74 Cb 0.49 -1.49 0.09 0.00 -2.33 0.00 0.00 43.42 40.18 3bdm n LEU 74 CO 0.33 -0.45 0.76 -0.94 -1.33 0.00 0.00 177.39 175.77 3bdm s SER 75 N -0.31 4.30 0.13 -1.43 1.04 -1.26 -4.75 113.70 111.43 3bdm s SER 75 Ca 0.55 2.21 -0.21 0.00 0.48 0.00 0.00 55.95 58.98 3bdm s SER 75 Cb -0.56 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 62.98 3bdm s SER 75 CO 0.62 -2.18 1.68 -0.65 0.98 0.00 0.00 173.24 173.69 3bdm h PRO 76 N -0.46 -0.10 -0.72 4.02 0.11 -1.92 -0.56 132.00 132.37 3bdm h PRO 76 Ca -0.47 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.81 3bdm h PRO 76 Cb 1.28 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 3bdm h PRO 76 CO 0.50 -0.06 -0.07 0.37 -0.21 0.00 0.00 178.00 178.53 3bdm h GLN 77 N -0.10 0.06 -0.28 1.05 -0.00 -1.97 0.39 115.11 114.25 3bdm h GLN 77 Ca 0.10 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.72 3bdm h GLN 77 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 3bdm h GLN 77 CO -0.25 0.04 0.07 0.00 0.00 0.00 0.00 178.83 178.69 3bdm h ALA 78 N 1.70 0.37 -0.74 3.38 0.00 -1.72 -1.20 119.26 121.05 3bdm h ALA 78 Ca 0.38 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3bdm h ALA 78 Cb 0.63 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3bdm h ALA 78 CO -0.68 0.03 0.49 0.28 0.00 0.00 0.00 179.25 179.37 3bdm h VAL 79 N 0.29 1.19 0.00 0.00 2.07 0.53 -0.50 116.25 119.83 3bdm h VAL 79 Ca 0.09 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3bdm h VAL 79 Cb 0.28 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3bdm h VAL 79 CO 0.00 0.18 -0.25 0.77 0.02 0.00 0.00 177.57 178.29 3bdm h SER 80 N 1.00 0.00 0.96 0.57 4.64 0.02 -2.03 113.55 118.71 3bdm h SER 80 Ca 0.27 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.38 3bdm h SER 80 Cb -0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3bdm h SER 80 CO -0.06 0.25 -0.98 0.28 -0.87 0.00 0.00 176.83 175.45 3bdm h SER 81 N 0.00 0.02 -0.16 4.97 0.02 0.11 -1.51 113.55 117.00 3bdm h SER 81 Ca -0.00 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 3bdm h SER 81 Cb 0.81 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3bdm h SER 81 CO 0.03 0.99 -0.52 0.15 -1.14 0.00 0.00 176.83 176.34 3bdm h PHE 82 N 0.00 0.92 -0.20 3.45 3.04 -0.96 -2.39 116.94 120.79 3bdm h PHE 82 Ca -0.01 -0.31 -0.15 0.00 3.98 0.00 0.00 57.97 61.47 3bdm h PHE 82 Cb 1.73 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.07 3bdm h PHE 82 CO 0.00 1.10 -0.46 0.28 -2.02 0.00 0.00 178.31 177.21 3bdm h VAL 83 N 0.57 1.32 -0.71 1.41 2.07 -1.32 -1.75 116.25 117.84 3bdm h VAL 83 Ca 0.02 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 3bdm h VAL 83 Cb 1.09 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3bdm h VAL 83 CO 0.11 0.53 0.44 -0.09 0.02 0.00 0.00 177.57 178.58 3bdm h ARG 84 N 0.37 0.95 -0.26 1.57 2.43 -1.28 -1.81 114.38 116.35 3bdm h ARG 84 Ca -0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3bdm h ARG 84 Cb 1.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3bdm h ARG 84 CO 0.10 0.66 0.05 0.37 -1.51 0.00 0.00 179.97 179.63 3bdm h GLN 85 N 0.98 0.43 -0.99 0.20 4.15 -1.28 -0.55 115.11 118.05 3bdm h GLN 85 Ca 0.26 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.63 3bdm h GLN 85 Cb -0.06 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.51 3bdm h GLN 85 CO -0.05 0.55 0.64 0.93 -1.93 0.00 0.00 178.83 178.97 3bdm h GLU 86 N 0.25 1.14 -0.08 1.69 4.39 -0.73 -2.08 114.58 119.15 3bdm h GLU 86 Ca 0.08 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.49 3bdm h GLU 86 Cb 0.32 -0.26 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3bdm h GLU 86 CO 0.00 0.75 -0.85 -0.07 -1.16 0.00 0.00 179.01 177.69 3bdm h LEU 87 N 1.17 0.75 -2.36 1.33 3.38 -1.16 -2.11 115.31 116.31 3bdm h LEU 87 Ca 0.43 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3bdm h LEU 87 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3bdm h LEU 87 CO -0.17 1.32 -0.03 0.00 0.09 0.00 0.00 178.44 179.65 3bdm h ALA 88 N 0.65 1.14 0.03 1.53 0.00 -0.67 0.17 119.26 122.11 3bdm h ALA 88 Ca -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 88 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3bdm h ALA 88 CO 0.16 0.04 -0.16 0.87 0.00 0.00 0.00 179.25 180.16 3bdm h LYS 89 N 0.00 0.06 -0.87 0.00 1.57 -1.23 -3.33 116.57 112.76 3bdm h LYS 89 Ca -0.00 -0.10 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3bdm h LYS 89 Cb 0.18 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 3bdm h LYS 89 CO 0.00 1.04 0.52 1.03 -0.57 0.00 0.00 179.45 181.48 3bdm h SER 90 N -0.86 0.77 -0.71 0.86 0.87 -0.61 -2.53 113.55 111.35 3bdm h SER 90 Ca -0.03 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3bdm h SER 90 Cb 1.12 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 3bdm h SER 90 CO 0.03 0.45 0.47 -0.29 -0.53 0.00 0.00 176.83 176.96 3bdm h ILE 90 N 0.89 0.89 -0.49 2.23 6.09 -0.82 -1.42 117.51 124.88 3bdm h ILE 90 Ca 0.41 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 3bdm h ILE 90 Cb 0.34 0.31 0.00 0.00 0.47 0.00 0.00 36.82 37.94 3bdm h ILE 90 CO -0.23 0.10 0.00 0.54 -3.07 0.00 0.00 178.15 175.49 3bdm n ARG 90 N -4.49 3.62 -2.01 2.19 1.74 -0.97 -4.85 116.66 111.90 3bdm n ARG 90 Ca 0.12 -2.82 -0.21 0.00 -0.77 0.00 0.00 57.85 54.18 3bdm n ARG 90 Cb 0.39 -1.87 0.12 0.00 -1.02 0.00 0.00 32.46 30.08 3bdm n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3bdm n SER 91 N 0.49 0.79 0.30 0.55 3.41 -0.54 -5.03 113.62 113.59 3bdm n SER 91 Ca 0.23 -1.76 -0.12 0.00 -0.26 0.00 0.00 58.87 56.96 3bdm n SER 91 Cb 0.89 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 3bdm n SER 91 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3bdm h ARG 92 N 0.00 -0.75 -4.28 4.33 2.43 -1.93 -3.38 114.38 110.81 3bdm h ARG 92 Ca -0.30 0.05 -0.65 0.00 -0.81 0.00 0.00 59.98 58.27 3bdm h ARG 92 Cb 0.99 0.17 -0.40 0.00 -0.42 0.00 0.00 29.97 30.31 3bdm h ARG 92 CO 0.28 -0.50 -0.70 0.50 -1.51 0.00 0.00 179.97 178.04 3bdm s ARG 93 N -4.72 1.59 0.70 0.20 3.52 -1.26 -5.11 118.95 113.86 3bdm s ARG 93 Ca -0.11 -2.06 -0.16 0.00 -0.13 0.00 0.00 55.73 53.27 3bdm s ARG 93 Cb 0.01 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 3bdm s ARG 93 CO 0.35 -0.99 1.21 -2.14 -0.81 0.00 0.00 175.30 172.91 3bdm s PRO 94 N 0.59 2.34 -0.12 5.12 0.02 -1.26 -5.00 135.00 136.70 3bdm s PRO 94 Ca 0.13 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 62.63 3bdm s PRO 94 Cb -0.21 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 3bdm s PRO 94 CO -0.06 -1.68 0.91 0.71 -0.33 0.00 0.00 177.00 176.54 3bdm s TYR 95 N -1.91 3.50 -0.97 6.54 2.02 -1.26 -4.98 117.35 120.28 3bdm s TYR 95 Ca 0.75 1.44 -0.07 0.00 -0.37 0.00 0.00 57.07 58.82 3bdm s TYR 95 Cb -0.29 -3.08 0.24 0.00 -0.40 0.00 0.00 41.96 38.43 3bdm s TYR 95 CO 0.43 -0.18 0.91 -0.65 -1.57 0.00 0.00 175.55 174.49 3bdm s GLN 96 N 1.85 3.71 -0.01 -0.62 -0.21 -1.26 -4.77 119.66 118.35 3bdm s GLN 96 Ca 0.44 -3.09 -0.00 0.00 0.02 0.00 0.00 55.36 52.73 3bdm s GLN 96 Cb -0.18 -4.29 0.01 0.00 1.00 0.00 0.00 33.01 29.56 3bdm s GLN 96 CO 0.17 -1.25 0.01 0.08 -2.12 0.00 0.00 175.29 172.18 3bdm s VAL 97 N -1.01 -0.02 -0.04 1.09 1.01 -1.26 -0.36 120.40 119.80 3bdm s VAL 97 Ca 0.27 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3bdm s VAL 97 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 3bdm s VAL 97 CO -0.09 0.04 -0.14 0.20 0.00 0.00 0.00 175.10 175.11 3bdm s ASN 98 N 0.44 4.07 0.05 3.32 0.01 0.45 -1.86 114.94 121.41 3bdm s ASN 98 Ca -0.04 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 3bdm s ASN 98 Cb -0.05 -0.86 -0.03 0.00 0.41 0.00 0.00 41.25 40.72 3bdm s ASN 98 CO -0.01 0.34 -0.05 0.68 -1.51 0.00 0.00 177.10 176.55 3bdm s VAL 99 N -0.76 0.35 -0.13 1.60 -7.23 0.35 -1.08 120.40 113.50 3bdm s VAL 99 Ca 0.12 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3bdm s VAL 99 Cb -0.11 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.91 3bdm s VAL 99 CO 0.01 -0.66 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.21 3bdm s LEU 100 N -2.14 2.42 -0.19 1.32 1.43 0.40 -1.25 118.68 120.67 3bdm s LEU 100 Ca -0.04 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3bdm s LEU 100 Cb -0.03 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3bdm s LEU 100 CO -0.04 0.13 -0.13 -0.63 0.23 0.00 0.00 176.35 175.92 3bdm s ILE 101 N 0.56 2.74 -0.11 -0.59 1.01 0.16 -0.80 121.20 124.17 3bdm s ILE 101 Ca -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3bdm s ILE 101 Cb -0.16 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3bdm s ILE 101 CO 0.04 0.49 -0.15 -0.83 0.00 0.00 0.00 174.94 174.49 3bdm s GLY 102 N 1.23 1.02 0.19 6.18 0.00 0.33 0.69 107.32 116.96 3bdm s GLY 102 Ca 0.03 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 3bdm s GLY 102 CO -0.06 0.26 0.39 -0.32 0.00 0.00 0.00 173.10 173.37 3bdm s GLY 103 N 1.01 0.36 -0.26 0.20 0.00 -0.60 -0.39 107.32 107.64 3bdm s GLY 103 Ca -0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 3bdm s GLY 103 CO -0.02 -0.65 0.01 -0.47 0.00 0.00 0.00 173.10 171.97 3bdm s TYR 104 N -3.96 3.08 0.00 1.90 6.14 0.16 -0.25 117.35 124.43 3bdm s TYR 104 Ca 0.16 -1.12 0.00 0.00 0.64 0.00 0.00 57.07 56.75 3bdm s TYR 104 Cb 0.01 -2.16 0.00 0.00 0.42 0.00 0.00 41.96 40.23 3bdm s TYR 104 CO 0.01 -0.61 0.00 -3.47 0.64 0.00 0.00 175.55 172.13 3bdm n ASP 105 N 4.79 0.00 0.00 4.32 4.64 -0.09 -4.85 116.55 125.36 3bdm n ASP 105 Ca -0.16 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.25 3bdm n ASP 105 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 3bdm n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3bdm n LYS 10 N 0.00 0.00 -3.44 -0.67 5.02 -1.26 -3.05 118.16 114.76 3bdm n LYS 10 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 3bdm n LYS 10 Cb 0.00 -2.08 0.07 0.00 -0.02 0.00 0.00 35.03 33.00 3bdm n LYS 10 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bdm n ASN 106 N 0.00 -3.58 -3.80 4.39 3.02 -1.26 -5.03 115.26 109.00 3bdm n ASN 106 Ca 0.00 -0.71 -0.12 0.00 -0.03 0.00 0.00 54.58 53.71 3bdm n ASN 106 Cb 0.00 -4.84 -0.09 0.00 -0.61 0.00 0.00 39.78 34.24 3bdm n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bdm s LYS 107 N -5.21 0.61 0.27 3.52 1.02 -1.17 -5.07 119.74 113.71 3bdm s LYS 107 Ca 0.18 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 3bdm s LYS 107 Cb -0.03 0.26 -0.07 0.00 -0.52 0.00 0.00 37.83 37.47 3bdm s LYS 107 CO 0.76 -0.16 0.61 -1.25 -0.92 0.00 0.00 175.35 174.39 3bdm s PRO 108 N -1.48 3.84 0.01 -1.68 0.04 -1.26 -0.91 135.00 133.55 3bdm s PRO 108 Ca -0.13 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.29 3bdm s PRO 108 Cb -0.06 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 3bdm s PRO 108 CO 0.02 0.24 -0.04 -1.21 0.04 0.00 0.00 177.00 176.06 3bdm s GLU 109 N -2.98 0.33 -0.08 4.56 2.02 0.65 -4.93 118.70 118.28 3bdm s GLU 109 Ca 0.49 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.20 3bdm s GLU 109 Cb -0.11 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.90 3bdm s GLU 109 CO 0.21 0.05 -0.17 -1.17 0.02 0.00 0.00 175.26 174.20 3bdm s LEU 110 N -0.56 1.84 -0.04 1.80 2.96 -1.26 -1.56 118.68 121.86 3bdm s LEU 110 Ca -0.03 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3bdm s LEU 110 Cb -0.04 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 3bdm s LEU 110 CO -0.00 0.09 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.63 3bdm s TYR 111 N 0.51 1.76 -0.17 5.38 2.02 0.22 -2.34 117.35 124.73 3bdm s TYR 111 Ca -0.16 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 3bdm s TYR 111 Cb -0.17 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 3bdm s TYR 111 CO 0.06 -0.13 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.62 3bdm s GLN 112 N -0.12 3.16 -0.05 -0.62 0.74 -0.15 0.41 119.66 123.03 3bdm s GLN 112 Ca -0.00 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.65 3bdm s GLN 112 Cb -0.10 -2.65 0.02 0.00 1.10 0.00 0.00 33.01 31.38 3bdm s GLN 112 CO 0.01 -0.07 -0.04 0.42 -0.55 0.00 0.00 175.29 175.06 3bdm s ILE 113 N 1.03 0.54 0.28 -2.34 1.01 -0.38 -1.49 121.20 119.84 3bdm s ILE 113 Ca -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.58 3bdm s ILE 113 Cb -0.15 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 3bdm s ILE 113 CO -0.04 0.23 0.34 1.51 0.00 0.00 0.00 174.94 176.98 3bdm s ASP 114 N 0.94 5.88 0.65 3.58 3.84 -0.71 -0.50 116.67 130.35 3bdm s ASP 114 Ca -0.11 -0.16 0.18 0.00 -0.00 0.00 0.00 52.55 52.46 3bdm s ASP 114 Cb -0.14 -1.44 0.92 0.00 -1.38 0.00 0.00 42.92 40.87 3bdm s ASP 114 CO -0.00 -0.20 1.50 0.10 -0.00 0.00 0.00 175.17 176.57 3bdm h TYR 115 N 1.18 0.00 0.00 2.11 -0.00 -1.67 0.55 116.97 119.15 3bdm h TYR 115 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3bdm h TYR 115 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 3bdm h TYR 115 CO 0.48 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.57 3bdm h LEU 116 N 0.00 0.00 0.00 0.10 3.38 -1.87 -3.40 115.31 113.51 3bdm h LEU 116 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bdm h LEU 116 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3bdm h LEU 116 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3bdm n GLY 117 N 0.91 1.25 3.64 0.83 0.00 0.19 -4.30 105.19 107.70 3bdm n GLY 117 Ca 0.04 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3bdm n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 118 N -2.00 4.84 -0.05 2.61 2.01 -1.23 -4.81 115.64 117.01 3bdm s THR 118 Ca 0.00 1.55 0.07 0.00 0.31 0.00 0.00 61.69 63.61 3bdm s THR 118 Cb 0.00 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 3bdm s THR 118 CO 0.00 -0.08 -0.25 -0.75 -0.69 0.00 0.00 174.62 172.85 3bdm s LYS 119 N 2.85 2.41 -0.06 4.92 2.20 -1.26 -1.75 119.74 129.05 3bdm s LYS 119 Ca 0.35 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 54.95 3bdm s LYS 119 Cb -0.15 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.08 3bdm s LYS 119 CO 0.08 0.42 0.27 0.54 -0.36 0.00 0.00 175.35 176.29 3bdm s VAL 120 N -0.27 0.03 -0.18 4.02 0.11 -0.56 -5.00 120.40 118.55 3bdm s VAL 120 Ca -0.00 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 3bdm s VAL 120 Cb -0.13 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 3bdm s VAL 120 CO 0.02 -0.13 0.19 -0.70 -3.33 0.00 0.00 175.10 171.15 3bdm s GLU 121 N -0.50 4.15 0.05 1.54 -6.30 -1.26 -0.98 118.70 115.40 3bdm s GLU 121 Ca -0.06 -0.10 -0.05 0.00 -2.50 0.00 0.00 54.97 52.26 3bdm s GLU 121 Cb -0.04 -3.40 -0.02 0.00 0.00 0.00 0.00 34.13 30.68 3bdm s GLU 121 CO 0.02 0.33 0.07 -0.51 0.02 0.00 0.00 175.26 175.18 3bdm s LEU 122 N 0.26 1.94 0.20 2.70 1.43 -0.99 -5.01 118.68 119.21 3bdm s LEU 122 Ca 0.11 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3bdm s LEU 122 Cb -0.12 0.54 0.14 0.00 0.03 0.00 0.00 46.19 46.79 3bdm s LEU 122 CO 0.01 -0.55 1.62 -0.65 0.23 0.00 0.00 176.35 177.01 3bdm h PRO 123 N 3.44 0.87 -2.55 1.29 0.11 -1.90 -3.38 132.00 129.88 3bdm h PRO 123 Ca -0.33 -0.33 -0.09 0.00 0.11 0.00 0.00 66.00 65.35 3bdm h PRO 123 Cb 1.18 -0.05 -0.20 0.00 0.11 0.00 0.00 31.00 32.04 3bdm h PRO 123 CO 0.55 0.97 -0.06 1.52 -0.21 0.00 0.00 178.00 180.77 3bdm s TYR 124 N -4.71 -0.41 0.30 0.65 1.13 -1.26 0.14 117.35 113.19 3bdm s TYR 124 Ca -0.10 0.72 -0.19 0.00 -1.41 0.00 0.00 57.07 56.09 3bdm s TYR 124 Cb 0.13 0.24 0.03 0.00 -1.10 0.00 0.00 41.96 41.25 3bdm s TYR 124 CO 0.85 -0.47 0.71 0.20 -2.51 0.00 0.00 175.55 174.32 3bdm s GLY 125 N -1.15 0.11 0.13 5.49 0.00 0.91 -4.99 107.32 107.83 3bdm s GLY 125 Ca -0.11 -0.49 -0.24 0.00 0.00 0.00 0.00 44.72 43.87 3bdm s GLY 125 CO 0.06 -0.21 0.64 0.00 0.00 0.00 0.00 173.10 173.60 3bdm s ALA 126 N -3.53 -1.63 0.24 3.20 0.00 -1.26 -0.44 121.76 118.34 3bdm s ALA 126 Ca 0.13 0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.77 3bdm s ALA 126 Cb -0.05 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 3bdm s ALA 126 CO 0.09 -0.76 -0.15 -1.01 0.00 0.00 0.00 175.76 173.93 3bdm s HIS 127 N -3.65 2.45 0.00 0.00 3.76 -0.73 -4.71 115.29 112.41 3bdm s HIS 127 Ca 0.02 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3bdm s HIS 127 Cb -0.01 -1.13 0.00 0.00 1.11 0.00 0.00 32.58 32.55 3bdm s HIS 127 CO -0.12 0.61 0.00 0.41 -0.85 0.00 0.00 174.74 174.78 3bdm n GLY 128 N -0.34 -1.18 0.18 -2.22 0.00 -1.26 -3.96 105.19 96.41 3bdm n GLY 128 Ca -0.08 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3bdm n GLY 128 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bdm h TYR 129 N 0.00 0.00 -0.99 1.61 0.05 -1.92 -3.34 116.97 112.38 3bdm h TYR 129 Ca 0.00 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.03 3bdm h TYR 129 Cb 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.55 3bdm h TYR 129 CO 0.00 0.27 -0.07 0.43 -1.05 0.00 0.00 178.16 177.75 3bdm n SER 130 N -3.19 -0.19 -0.34 3.88 7.64 -1.25 0.57 113.62 120.73 3bdm n SER 130 Ca 0.03 1.69 0.17 0.00 1.01 0.00 0.00 58.87 61.76 3bdm n SER 130 Cb 0.62 -0.58 0.39 0.00 -1.01 0.00 0.00 64.21 63.62 3bdm n SER 130 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3bdm h GLY 131 N 0.00 1.72 0.32 0.23 0.00 -1.79 -1.72 103.07 101.83 3bdm h GLY 131 Ca 0.56 -0.31 0.21 0.00 0.00 0.00 0.00 47.33 47.79 3bdm h GLY 131 CO -0.96 -0.15 0.59 0.74 0.00 0.00 0.00 176.54 176.76 3bdm h PHE 132 N 0.61 0.45 0.00 5.60 0.04 -0.14 -1.20 116.94 122.30 3bdm h PHE 132 Ca 0.61 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.39 3bdm h PHE 132 Cb 1.15 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3bdm h PHE 132 CO -0.00 0.12 -1.51 0.66 -0.60 0.00 0.00 178.31 176.97 3bdm n TYR 133 N -4.48 0.00 -0.03 -0.55 4.01 -0.70 -4.68 117.16 110.74 3bdm n TYR 133 Ca 0.19 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.89 3bdm n TYR 133 Cb 0.73 -0.28 -0.13 0.00 -0.31 0.00 0.00 39.34 39.35 3bdm n TYR 133 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3bdm n THR 134 N -1.90 1.19 0.00 -0.72 -2.24 -0.91 -4.22 114.28 105.48 3bdm n THR 134 Ca -0.02 -0.75 0.04 0.00 -2.27 0.00 0.00 64.05 61.05 3bdm n THR 134 Cb 0.35 -0.61 0.42 0.00 -2.10 0.00 0.00 70.33 68.40 3bdm n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3bdm h PHE 135 N 0.00 0.51 0.01 4.78 0.04 -1.47 -1.45 116.94 119.36 3bdm h PHE 135 Ca -0.30 0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.26 3bdm h PHE 135 Cb 1.83 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.80 3bdm h PHE 135 CO 0.00 0.33 -0.93 0.66 -0.60 0.00 0.00 178.31 177.77 3bdm h SER 136 N 0.55 0.41 0.51 2.17 4.64 -1.81 0.26 113.55 120.27 3bdm h SER 136 Ca 0.15 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 3bdm h SER 136 Cb -0.06 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3bdm h SER 136 CO -0.03 1.14 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.75 3bdm h LEU 137 N 0.17 -0.58 -0.91 5.97 3.38 -1.58 -2.06 115.31 119.71 3bdm h LEU 137 Ca -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3bdm h LEU 137 Cb 1.56 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 3bdm h LEU 137 CO 0.15 -0.39 -0.12 -0.07 0.09 0.00 0.00 178.44 178.11 3bdm h LEU 138 N -0.71 0.66 -2.15 1.67 3.38 -1.32 0.13 115.31 116.97 3bdm h LEU 138 Ca -0.07 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3bdm h LEU 138 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3bdm h LEU 138 CO 0.11 0.81 0.13 0.44 0.09 0.00 0.00 178.44 180.02 3bdm h ASP 139 N 0.61 0.00 0.00 -0.43 3.32 -0.33 -0.78 116.42 118.81 3bdm h ASP 139 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3bdm h ASP 139 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3bdm h ASP 139 CO 0.03 0.00 -0.37 -0.74 -1.72 0.00 0.00 179.24 176.45 3bdm h HIS 140 N 0.00 0.00 -0.41 4.55 2.76 -0.61 -3.41 115.15 118.03 3bdm h HIS 140 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3bdm h HIS 140 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 3bdm h HIS 140 CO 0.00 0.00 0.00 0.72 -1.30 0.00 0.00 177.93 177.35 3bdm n HIS 141 N -4.66 0.99 -3.73 5.26 8.25 0.38 -4.96 115.22 116.75 3bdm n HIS 141 Ca -0.05 -0.39 -0.37 0.00 -0.26 0.00 0.00 57.72 56.65 3bdm n HIS 141 Cb 0.19 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 3bdm n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3bdm s TYR 142 N -1.77 3.59 -0.02 4.41 5.04 -0.31 -4.98 117.35 123.31 3bdm s TYR 142 Ca 0.33 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 3bdm s TYR 142 Cb 0.21 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.45 3bdm s TYR 142 CO 0.15 0.61 -0.00 1.03 -1.34 0.00 0.00 175.55 176.00 3bdm s ARG 143 N -0.71 0.22 0.52 4.97 1.81 -1.26 -5.01 118.95 119.49 3bdm s ARG 143 Ca 0.16 0.06 0.22 0.00 -1.72 0.00 0.00 55.73 54.45 3bdm s ARG 143 Cb -0.13 -0.37 1.33 0.00 -0.45 0.00 0.00 34.95 35.33 3bdm s ARG 143 CO 0.06 -0.10 2.04 -1.35 -0.68 0.00 0.00 175.30 175.27 3bdm h PRO 144 N 6.98 0.03 -0.40 3.54 0.11 -1.95 -2.47 132.00 137.84 3bdm h PRO 144 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3bdm h PRO 144 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bdm h PRO 144 CO 0.49 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 3bdm n ASP 145 N -4.43 2.58 -4.60 -2.05 3.85 -1.26 -2.95 116.55 107.68 3bdm n ASP 145 Ca 0.06 -1.93 -0.35 0.00 -0.71 0.00 0.00 54.79 51.86 3bdm n ASP 145 Cb 0.43 -0.27 0.09 0.00 -1.35 0.00 0.00 41.12 40.03 3bdm n ASP 145 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 3bdm n MET 146 N 0.91 0.39 -2.59 0.11 2.81 -0.93 -4.63 117.12 113.18 3bdm n MET 146 Ca 0.17 0.19 -0.22 0.00 -1.81 0.00 0.00 57.70 56.03 3bdm n MET 146 Cb 0.43 -2.19 0.04 0.00 -0.71 0.00 0.00 33.22 30.79 3bdm n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3bdm s THR 147 N -1.91 2.79 0.37 2.03 -4.23 -1.26 -1.47 115.64 111.96 3bdm s THR 147 Ca 0.71 -0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3bdm s THR 147 Cb -0.33 -3.07 0.29 0.00 1.34 0.00 0.00 72.50 70.72 3bdm s THR 147 CO 0.52 -0.06 1.98 0.74 -0.54 0.00 0.00 174.62 177.26 3bdm h THR 148 N -0.02 1.05 -0.16 3.99 2.02 -1.96 0.23 112.91 118.06 3bdm h THR 148 Ca -0.43 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3bdm h THR 148 Cb 1.29 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3bdm h THR 148 CO 0.54 0.13 -0.04 -0.08 0.37 0.00 0.00 175.52 176.44 3bdm h GLU 149 N 0.73 0.31 -0.52 6.66 4.57 -1.98 0.11 114.58 124.45 3bdm h GLU 149 Ca 0.28 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3bdm h GLU 149 Cb 0.18 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3bdm h GLU 149 CO -0.08 0.59 0.31 0.93 -1.18 0.00 0.00 179.01 179.58 3bdm h GLU 150 N 0.00 0.61 -0.49 1.92 5.08 -1.71 -2.02 114.58 117.97 3bdm h GLU 150 Ca 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3bdm h GLU 150 Cb 0.48 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3bdm h GLU 150 CO 0.02 0.40 0.28 0.78 -1.00 0.00 0.00 179.01 179.49 3bdm h GLY 151 N 0.63 0.72 2.00 -3.84 0.00 -0.44 -1.23 103.07 100.91 3bdm h GLY 151 Ca 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3bdm h GLY 151 CO -0.09 0.30 -0.02 1.41 0.00 0.00 0.00 176.54 178.15 3bdm h LEU 152 N 0.65 0.00 0.06 3.11 3.38 -0.27 -0.96 115.31 121.29 3bdm h LEU 152 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3bdm h LEU 152 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3bdm h LEU 152 CO -0.03 0.02 -0.38 0.44 0.09 0.00 0.00 178.44 178.58 3bdm h ASP 153 N 0.00 0.21 -0.96 -0.43 3.45 -0.64 -2.50 116.42 115.55 3bdm h ASP 153 Ca -0.00 -0.98 0.20 0.00 0.43 0.00 0.00 57.03 56.68 3bdm h ASP 153 Cb 0.06 -0.07 -0.09 0.00 -0.56 0.00 0.00 39.33 38.68 3bdm h ASP 153 CO 0.00 1.18 0.61 0.25 -1.57 0.00 0.00 179.24 179.71 3bdm h LEU 154 N -0.71 0.61 0.18 1.55 5.85 -0.67 0.52 115.31 122.64 3bdm h LEU 154 Ca -0.07 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3bdm h LEU 154 Cb 1.29 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3bdm h LEU 154 CO 0.07 0.23 -0.09 0.25 -0.34 0.00 0.00 178.44 178.56 3bdm h LEU 155 N 0.60 -0.21 -1.53 2.25 6.46 -1.20 -2.11 115.31 119.57 3bdm h LEU 155 Ca 0.52 -0.18 0.18 0.00 -0.12 0.00 0.00 57.88 58.28 3bdm h LEU 155 Cb 1.03 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 3bdm h LEU 155 CO -0.27 0.07 0.56 0.50 -0.62 0.00 0.00 178.44 178.67 3bdm h LYS 156 N -0.49 0.41 -0.19 1.25 3.64 -0.54 0.20 116.57 120.85 3bdm h LYS 156 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3bdm h LYS 156 Cb 0.37 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3bdm h LYS 156 CO 0.04 0.27 0.09 1.25 -2.27 0.00 0.00 179.45 178.84 3bdm h LEU 157 N 0.42 0.24 0.03 5.20 5.85 -0.56 -1.81 115.31 124.69 3bdm h LEU 157 Ca 0.43 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3bdm h LEU 157 Cb 1.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3bdm h LEU 157 CO -0.15 0.29 -0.01 0.00 -0.34 0.00 0.00 178.44 178.22 3bdm h VAL 159 N -0.17 0.82 -0.09 0.00 2.07 -0.85 -0.40 116.25 117.62 3bdm h VAL 159 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3bdm h VAL 159 Cb 0.15 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3bdm h VAL 159 CO 0.01 0.00 -0.27 1.56 0.02 0.00 0.00 177.57 178.89 3bdm h GLN 160 N 0.00 0.34 -0.94 1.57 4.20 -0.91 -1.78 115.11 117.59 3bdm h GLN 160 Ca 0.16 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3bdm h GLN 160 Cb 0.65 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 3bdm h GLN 160 CO -0.00 0.86 0.60 1.49 -0.67 0.00 0.00 178.83 181.12 3bdm h GLU 161 N -0.12 1.25 -0.47 1.46 4.57 -0.78 -1.61 114.58 118.87 3bdm h GLU 161 Ca -0.01 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 3bdm h GLU 161 Cb 0.89 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3bdm h GLU 161 CO 0.06 0.84 0.05 -0.07 -1.18 0.00 0.00 179.01 178.71 3bdm h LEU 162 N 1.28 0.71 -0.51 1.64 3.38 -1.05 -0.42 115.31 120.34 3bdm h LEU 162 Ca 0.34 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3bdm h LEU 162 Cb -0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3bdm h LEU 162 CO -0.07 0.74 -0.34 -0.33 0.09 0.00 0.00 178.44 178.54 3bdm h GLU 163 N 0.71 0.00 0.03 1.13 5.08 -0.79 -1.90 114.58 118.85 3bdm h GLU 163 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3bdm h GLU 163 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3bdm h GLU 163 CO 0.01 0.34 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.12 3bdm h LYS 164 N 0.00 -0.04 0.00 2.33 3.64 -0.68 -3.40 116.57 118.42 3bdm h LYS 164 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bdm h LYS 164 Cb 1.06 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3bdm h LYS 164 CO 0.04 0.61 -1.14 0.54 -2.27 0.00 0.00 179.45 177.23 3bdm n ARG 165 N -4.73 0.31 -2.99 1.90 5.12 -0.23 -4.95 116.66 111.09 3bdm n ARG 165 Ca -0.08 -0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.42 3bdm n ARG 165 Cb 0.33 -1.58 -0.05 0.00 -1.16 0.00 0.00 32.46 30.00 3bdm n ARG 165 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3bdm s MET 166 N -3.22 4.48 0.17 5.56 -1.94 -0.71 -4.98 119.30 118.67 3bdm s MET 166 Ca 0.03 1.03 -0.16 0.00 -1.71 0.00 0.00 55.69 54.88 3bdm s MET 166 Cb 0.14 -3.38 0.12 0.00 2.01 0.00 0.00 34.83 33.72 3bdm s MET 166 CO 0.82 0.24 1.67 -1.35 -0.01 0.00 0.00 175.02 176.39 3bdm h PRO 167 N 5.89 0.02 -7.05 2.03 0.11 -1.92 -3.44 132.00 127.64 3bdm h PRO 167 Ca -0.43 -0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.23 3bdm h PRO 167 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3bdm h PRO 167 CO 0.72 0.02 0.34 -1.64 -0.21 0.00 0.00 178.00 177.22 3bdm s MET 168 N -6.21 4.23 -0.56 1.05 -1.94 -1.26 -5.03 119.30 109.59 3bdm s MET 168 Ca -0.14 1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 54.78 3bdm s MET 168 Cb 0.15 -2.20 0.09 0.00 2.01 0.00 0.00 34.83 34.89 3bdm s MET 168 CO 0.71 -0.02 0.64 0.34 -0.01 0.00 0.00 175.02 176.68 3bdm s ASP 169 N -2.17 6.19 -0.01 3.03 2.15 -1.26 -4.91 116.67 119.68 3bdm s ASP 169 Ca 0.62 -1.35 0.11 0.00 0.43 0.00 0.00 52.55 52.35 3bdm s ASP 169 Cb -0.09 -2.28 0.33 0.00 -0.30 0.00 0.00 42.92 40.58 3bdm s ASP 169 CO 0.13 -1.01 1.25 2.22 -0.17 0.00 0.00 175.17 177.59 3bdm n PHE 170 N 6.10 0.55 -3.09 -5.34 1.16 -1.26 -4.90 117.46 110.68 3bdm n PHE 170 Ca -0.10 -0.25 -0.22 0.00 -1.87 0.00 0.00 57.45 55.01 3bdm n PHE 170 Cb 0.43 -0.04 0.02 0.00 -1.61 0.00 0.00 39.48 38.28 3bdm n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3bdm n LYS 171 N 0.53 -4.04 -0.24 3.97 4.76 -1.26 -1.90 118.16 119.98 3bdm n LYS 171 Ca 0.12 0.73 0.03 0.00 -2.87 0.00 0.00 58.31 56.32 3bdm n LYS 171 Cb 0.35 -5.51 -0.01 0.00 -1.84 0.00 0.00 35.03 28.03 3bdm n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bdm n GLY 172 N -1.32 -2.16 3.40 0.72 0.00 -1.26 -4.35 105.19 100.21 3bdm n GLY 172 Ca -0.08 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 3bdm n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 173 N -1.07 1.66 -0.14 1.61 -7.23 -1.26 -1.15 120.40 112.83 3bdm s VAL 173 Ca 0.00 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.00 3bdm s VAL 173 Cb 0.00 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 3bdm s VAL 173 CO 0.00 -0.40 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.66 3bdm s ILE 174 N -3.01 3.36 0.12 -0.62 1.01 -0.59 -4.88 121.20 116.59 3bdm s ILE 174 Ca 0.27 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3bdm s ILE 174 Cb 0.02 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3bdm s ILE 174 CO 0.10 0.52 -0.03 -0.69 0.00 0.00 0.00 174.94 174.83 3bdm s VAL 175 N 0.30 3.72 -0.05 2.92 1.01 -1.26 -1.42 120.40 125.63 3bdm s VAL 175 Ca -0.08 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.62 3bdm s VAL 175 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3bdm s VAL 175 CO 0.05 0.06 0.21 -0.54 0.00 0.00 0.00 175.10 174.88 3bdm s LYS 176 N -2.43 0.39 -0.02 2.72 1.02 -0.61 -2.42 119.74 118.40 3bdm s LYS 176 Ca 0.25 0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.31 3bdm s LYS 176 Cb -0.11 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 3bdm s LYS 176 CO 0.17 -0.08 -0.17 0.42 -0.92 0.00 0.00 175.35 174.77 3bdm s ILE 177 N -0.55 2.84 -0.10 2.17 -1.09 0.74 -1.50 121.20 123.72 3bdm s ILE 177 Ca -0.06 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 3bdm s ILE 177 Cb -0.04 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.73 3bdm s ILE 177 CO 0.01 0.51 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.39 3bdm s VAL 178 N -0.78 1.44 0.05 2.92 1.01 -0.25 -1.57 120.40 123.23 3bdm s VAL 178 Ca 0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3bdm s VAL 178 Cb -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3bdm s VAL 178 CO 0.02 0.43 0.09 -0.90 0.00 0.00 0.00 175.10 174.73 3bdm n ASP 179 N 4.05 -0.25 -0.24 3.32 5.68 -0.13 -1.23 116.55 127.75 3bdm n ASP 179 Ca -0.20 -1.25 0.29 0.00 -0.50 0.00 0.00 54.79 53.14 3bdm n ASP 179 Cb 0.51 0.43 0.69 0.00 -1.14 0.00 0.00 41.12 41.62 3bdm n ASP 179 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3bdm h LYS 180 N 0.00 0.08 -0.02 0.11 2.10 -1.92 0.21 116.57 117.12 3bdm h LYS 180 Ca -0.04 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3bdm h LYS 180 Cb 0.17 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3bdm h LYS 180 CO 0.06 0.05 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.26 3bdm n ASP 181 N -4.30 1.88 0.00 7.07 8.00 -1.26 -5.06 116.55 122.88 3bdm n ASP 181 Ca 0.22 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 54.14 3bdm n ASP 181 Cb 1.02 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3bdm n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bdm n GLY 183 N 1.25 0.25 3.27 0.44 0.00 0.73 -5.01 105.19 106.12 3bdm n GLY 183 Ca 0.17 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 3bdm n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 184 N 0.00 2.77 0.05 -0.61 1.01 -1.24 -0.96 121.20 122.22 3bdm s ILE 184 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3bdm s ILE 184 Cb 0.00 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3bdm s ILE 184 CO 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 174.94 175.37 3bdm s ARG 185 N 0.90 0.57 -0.13 2.79 1.70 -0.61 -4.98 118.95 119.19 3bdm s ARG 185 Ca -0.03 -0.85 -0.05 0.00 -0.47 0.00 0.00 55.73 54.33 3bdm s ARG 185 Cb -0.15 -0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 33.92 3bdm s ARG 185 CO -0.01 0.04 0.05 -1.14 -1.08 0.00 0.00 175.30 173.16 3bdm s GLN 186 N -1.95 3.49 -1.23 3.89 0.74 -1.26 -0.19 119.66 123.15 3bdm s GLN 186 Ca -0.07 -0.33 -0.17 0.00 0.05 0.00 0.00 55.36 54.84 3bdm s GLN 186 Cb -0.07 -3.04 0.11 0.00 1.10 0.00 0.00 33.01 31.10 3bdm s GLN 186 CO -0.00 0.53 1.58 0.08 -0.55 0.00 0.00 175.29 176.93 3bdm s VAL 187 N -0.38 4.46 -2.00 1.34 1.01 -1.01 -4.83 120.40 118.98 3bdm s VAL 187 Ca 0.09 -2.07 0.03 0.00 0.00 0.00 0.00 61.98 60.02 3bdm s VAL 187 Cb -0.12 -5.07 0.07 0.00 0.00 0.00 0.00 36.38 31.26 3bdm s VAL 187 CO 0.02 -1.85 0.47 -0.90 0.00 0.00 0.00 175.10 172.83 3bdm n ASP 188 N 7.37 0.00 -3.45 3.32 3.85 -1.26 -3.73 116.55 122.65 3bdm n ASP 188 Ca 0.42 -0.24 -0.26 0.00 -0.71 0.00 0.00 54.79 54.00 3bdm n ASP 188 Cb 0.45 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.13 3bdm n ASP 188 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3bdm n ASP 189 N -0.75 1.24 0.00 -1.12 5.75 -1.26 -4.77 116.55 115.64 3bdm n ASP 189 Ca 0.02 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 3bdm n ASP 189 Cb 0.01 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3bdm n ASP 189 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3bdm n PHE 190 N 1.88 0.00 0.44 2.11 -0.00 -1.24 -4.15 117.46 116.49 3bdm n PHE 190 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.72 3bdm n PHE 190 Cb 0.45 0.00 0.10 0.00 -0.00 0.00 0.00 39.48 40.04 3bdm n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3bdm n GLN 191 N -0.68 0.22 0.00 -4.13 3.00 -1.26 -2.99 117.38 111.54 3bdm n GLN 191 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bdm n GLN 191 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 28.99 3bdm n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3bdm n ALA 192 N -0.75 0.00 0.86 -1.58 0.00 -1.26 -5.19 120.51 112.59 3bdm n ALA 192 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3bdm n ALA 192 Cb 0.01 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.55 3bdm n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44