#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1btj s THR 5 N 0.00 5.21 -0.23 3.15 2.01 -1.26 -2.79 115.64 121.73 1btj s THR 5 Ca 0.00 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1btj s THR 5 Cb 0.00 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1btj s THR 5 CO 0.00 -0.26 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.87 1btj s VAL 6 N -1.95 2.48 -0.81 3.82 1.01 0.36 -4.89 120.40 120.42 1btj s VAL 6 Ca 0.37 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1btj s VAL 6 Cb -0.10 -2.24 0.09 0.00 0.00 0.00 0.00 36.38 34.13 1btj s VAL 6 CO 0.30 0.26 1.09 -0.13 0.00 0.00 0.00 175.10 176.61 1btj s ARG 7 N 1.27 3.36 -0.28 2.72 0.52 -1.26 0.55 118.95 125.83 1btj s ARG 7 Ca -0.00 -1.23 -0.28 0.00 -0.52 0.00 0.00 55.73 53.70 1btj s ARG 7 Cb -0.16 -4.62 0.01 0.00 0.52 0.00 0.00 34.95 30.70 1btj s ARG 7 CO -0.07 -1.85 0.99 -0.46 0.02 0.00 0.00 175.30 173.93 1btj s TRP 8 N 3.63 3.25 0.12 -0.53 -0.11 -0.26 0.35 118.94 125.39 1btj s TRP 8 Ca 0.29 1.23 -0.30 0.00 1.22 0.00 0.00 56.10 58.54 1btj s TRP 8 Cb -0.10 -3.39 -0.06 0.00 -1.50 0.00 0.00 33.47 28.41 1btj s TRP 8 CO 0.00 -0.59 0.99 0.00 -4.62 0.00 0.00 176.95 172.73 1btj s ALA 10 N -0.02 2.00 -0.24 0.00 0.00 0.17 -4.65 121.76 119.01 1btj s ALA 10 Ca 0.48 -1.19 0.14 0.00 0.00 0.00 0.00 51.96 51.38 1btj s ALA 10 Cb -0.24 -0.38 0.62 0.00 0.00 0.00 0.00 23.12 23.11 1btj s ALA 10 CO 0.31 0.45 1.57 1.33 0.00 0.00 0.00 175.76 179.42 1btj n VAL 11 N 1.66 2.55 -3.84 0.00 0.24 -1.26 -1.04 118.33 116.64 1btj n VAL 11 Ca -0.17 -1.89 -0.01 0.00 -2.04 0.00 0.00 64.34 60.22 1btj n VAL 11 Cb 0.53 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.61 1btj n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1btj s SER 12 N -1.66 -0.03 0.16 -1.34 1.04 -1.26 -4.57 113.70 106.03 1btj s SER 12 Ca 0.47 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.54 1btj s SER 12 Cb 0.39 0.37 -0.08 0.00 0.10 0.00 0.00 66.02 66.80 1btj s SER 12 CO 0.10 -0.72 1.36 -0.33 0.98 0.00 0.00 173.24 174.63 1btj h GLU 13 N 2.00 0.00 -0.41 4.02 5.08 -1.94 -0.88 114.58 122.45 1btj h GLU 13 Ca -0.26 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 1btj h GLU 13 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1btj h GLU 13 CO 0.32 0.89 -0.30 0.45 -1.00 0.00 0.00 179.01 179.37 1btj h HIS 14 N 0.00 1.05 -0.01 4.33 3.86 -1.96 0.36 115.15 122.77 1btj h HIS 14 Ca -0.01 -0.28 -0.19 0.00 -1.16 0.00 0.00 60.37 58.74 1btj h HIS 14 Cb 1.61 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.83 1btj h HIS 14 CO 0.00 1.08 -0.81 1.49 0.86 0.00 0.00 177.93 180.55 1btj h GLU 15 N 0.75 0.21 -0.26 2.45 4.81 -1.93 -2.62 114.58 118.00 1btj h GLU 15 Ca 0.08 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1btj h GLU 15 Cb 0.87 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1btj h GLU 15 CO 0.08 0.91 0.14 0.00 -0.73 0.00 0.00 179.01 179.41 1btj h ALA 16 N 1.02 0.34 0.37 2.92 0.00 -0.39 -1.03 119.26 122.49 1btj h ALA 16 Ca -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1btj h ALA 16 Cb 1.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1btj h ALA 16 CO 0.12 -0.12 -0.18 1.15 0.00 0.00 0.00 179.25 180.22 1btj h THR 17 N 0.30 0.63 -0.99 0.00 2.02 -0.94 -1.26 112.91 112.67 1btj h THR 17 Ca 0.09 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.48 1btj h THR 17 Cb 0.08 0.63 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 1btj h THR 17 CO -0.01 0.00 0.62 0.50 0.37 0.00 0.00 175.52 176.99 1btj h LYS 18 N -0.50 0.61 -0.64 6.66 3.64 -1.29 0.47 116.57 125.52 1btj h LYS 18 Ca -0.05 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1btj h LYS 18 Cb 0.39 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1btj h LYS 18 CO 0.08 0.40 0.08 0.00 -2.27 0.00 0.00 179.45 177.74 1btj h GLN 20 N 0.99 0.54 0.00 0.00 4.20 0.68 0.18 115.11 121.70 1btj h GLN 20 Ca 0.19 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1btj h GLN 20 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1btj h GLN 20 CO 0.02 0.92 -0.20 1.03 -0.67 0.00 0.00 178.83 179.93 1btj h SER 21 N 0.43 0.00 0.72 1.46 0.87 0.31 -0.79 113.55 116.54 1btj h SER 21 Ca 0.02 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.34 1btj h SER 21 Cb 1.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1btj h SER 21 CO 0.09 0.20 -1.06 0.15 -0.53 0.00 0.00 176.83 175.68 1btj h PHE 22 N 0.00 0.30 0.41 2.24 3.57 0.12 -2.97 116.94 120.61 1btj h PHE 22 Ca -0.00 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 1btj h PHE 22 Cb 1.04 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1btj h PHE 22 CO 0.00 1.11 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.90 1btj h ARG 23 N 0.07 -0.53 -0.59 1.11 2.43 -0.20 -3.18 114.38 113.49 1btj h ARG 23 Ca -0.07 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1btj h ARG 23 Cb 1.77 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 31.33 1btj h ARG 23 CO 0.16 -0.35 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.67 1btj h ASP 24 N -0.84 -0.57 -0.38 -3.80 3.32 -1.28 -2.32 116.42 110.54 1btj h ASP 24 Ca -0.06 0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.25 1btj h ASP 24 Cb 0.42 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.26 1btj h ASP 24 CO 0.09 -0.20 -0.29 0.45 -1.72 0.00 0.00 179.24 177.57 1btj h HIS 25 N -0.01 -0.78 -0.84 4.55 3.86 -1.61 -0.90 115.15 119.42 1btj h HIS 25 Ca 0.28 0.05 0.16 0.00 -1.16 0.00 0.00 60.37 59.70 1btj h HIS 25 Cb 0.44 0.40 -0.10 0.00 1.06 0.00 0.00 27.41 29.21 1btj h HIS 25 CO -0.49 -0.36 0.41 0.52 0.86 0.00 0.00 177.93 178.87 1btj h MET 26 N -0.23 0.55 -0.09 2.45 2.86 -1.39 0.34 114.93 119.42 1btj h MET 26 Ca 0.18 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1btj h MET 26 Cb 0.51 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1btj h MET 26 CO -0.51 0.36 -0.13 0.87 1.06 0.00 0.00 176.91 178.56 1btj h LYS 27 N 0.57 -0.18 0.00 1.72 1.57 -1.04 1.29 116.57 120.49 1btj h LYS 27 Ca 0.47 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1btj h LYS 27 Cb 0.71 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1btj h LYS 27 CO -0.39 -0.12 0.07 0.66 -0.57 0.00 0.00 179.45 179.10 1btj h SER 28 N -0.18 0.00 0.00 0.86 4.64 0.54 -2.81 113.55 116.59 1btj h SER 28 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1btj h SER 28 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1btj h SER 28 CO -0.20 0.00 -0.02 1.33 -0.87 0.00 0.00 176.83 177.08 1btj n VAL 29 N -2.74 0.00 -4.22 0.95 0.24 -0.20 -5.07 118.33 107.29 1btj n VAL 29 Ca -0.02 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.63 1btj n VAL 29 Cb 0.12 0.99 -0.09 0.00 -1.47 0.00 0.00 33.84 33.39 1btj n VAL 29 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1btj s ILE 30 N -0.75 3.50 0.34 1.34 -1.09 0.43 -5.07 121.20 119.91 1btj s ILE 30 Ca 0.00 -1.33 -0.26 0.00 -2.23 0.00 0.00 60.65 56.83 1btj s ILE 30 Cb 0.00 -2.69 -0.10 0.00 -1.58 0.00 0.00 42.46 38.10 1btj s ILE 30 CO 0.00 0.03 0.98 -2.16 -1.23 0.00 0.00 174.94 172.56 1btj s PRO 31 N -2.49 4.46 0.34 2.79 0.04 -1.26 -4.73 135.00 134.15 1btj s PRO 31 Ca 0.24 1.39 0.14 0.00 0.04 0.00 0.00 61.00 62.81 1btj s PRO 31 Cb -0.10 -2.73 1.11 0.00 0.04 0.00 0.00 34.50 32.82 1btj s PRO 31 CO 0.16 0.15 1.62 0.77 0.04 0.00 0.00 177.00 179.74 1btj h SER 32 N 2.98 0.27 -0.34 6.66 0.02 -1.98 0.19 113.55 121.35 1btj h SER 32 Ca -0.47 0.23 0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1btj h SER 32 Cb 1.20 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 1btj h SER 32 CO 0.64 -0.28 0.35 -2.24 -1.14 0.00 0.00 176.83 174.16 1btj h ASP 33 N 0.15 0.00 -3.73 3.07 3.04 -2.03 -3.45 116.42 113.46 1btj h ASP 33 Ca 0.74 0.00 -0.47 0.00 -3.24 0.00 0.00 57.03 54.07 1btj h ASP 33 Cb 1.79 0.00 0.18 0.00 -1.04 0.00 0.00 39.33 40.26 1btj h ASP 33 CO -0.71 0.00 0.13 -0.83 -2.04 0.00 0.00 179.24 175.79 1btj s GLY 34 N -3.95 1.59 0.37 7.15 0.00 0.65 -4.73 107.32 108.41 1btj s GLY 34 Ca -0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 1btj s GLY 34 CO 0.57 0.57 1.04 2.56 0.00 0.00 0.00 173.10 177.84 1btj s PRO 35 N -4.69 4.30 0.37 2.90 0.04 -1.26 -4.49 135.00 132.18 1btj s PRO 35 Ca 0.66 1.52 0.03 0.00 0.04 0.00 0.00 61.00 63.25 1btj s PRO 35 Cb -0.22 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1btj s PRO 35 CO 0.60 -0.02 0.09 -1.54 0.04 0.00 0.00 177.00 176.17 1btj s SER 36 N -1.49 2.62 -0.11 6.66 1.04 -1.12 -4.89 113.70 116.42 1btj s SER 36 Ca 0.55 -1.54 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1btj s SER 36 Cb -0.23 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1btj s SER 36 CO 0.29 -0.79 -0.22 0.54 0.98 0.00 0.00 173.24 174.03 1btj s VAL 37 N -3.25 1.97 0.19 5.02 0.11 -1.26 0.13 120.40 123.31 1btj s VAL 37 Ca 0.29 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 58.44 1btj s VAL 37 Cb 0.05 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 1btj s VAL 37 CO 0.14 0.54 0.13 0.00 -3.33 0.00 0.00 175.10 172.59 1btj s ALA 38 N 0.49 3.53 -0.07 1.54 0.00 0.19 -4.76 121.76 122.67 1btj s ALA 38 Ca -0.16 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.55 1btj s ALA 38 Cb -0.17 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 1btj s ALA 38 CO 0.06 0.43 -0.21 0.00 0.00 0.00 0.00 175.76 176.03 1btj s VAL 40 N -0.12 0.79 -0.13 0.00 1.01 -0.58 -4.91 120.40 116.46 1btj s VAL 40 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1btj s VAL 40 Cb -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1btj s VAL 40 CO 0.04 0.27 -0.14 -0.75 0.00 0.00 0.00 175.10 174.53 1btj s LYS 41 N 0.65 3.36 0.27 2.72 2.20 -1.26 0.41 119.74 128.09 1btj s LYS 41 Ca -0.11 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 54.85 1btj s LYS 41 Cb -0.14 -2.62 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 1btj s LYS 41 CO 0.02 0.20 -0.00 0.15 -0.36 0.00 0.00 175.35 175.35 1btj s LYS 42 N 0.38 1.47 0.43 4.03 -0.14 -0.21 -4.94 119.74 120.76 1btj s LYS 42 Ca -0.11 -1.76 0.29 0.00 -1.36 0.00 0.00 55.97 53.02 1btj s LYS 42 Cb -0.16 -0.80 1.03 0.00 -1.68 0.00 0.00 37.83 36.22 1btj s LYS 42 CO 0.06 -0.09 1.83 0.00 -0.76 0.00 0.00 175.35 176.39 1btj h ALA 43 N 2.34 1.00 -1.56 5.17 0.00 -1.88 -3.37 119.26 120.96 1btj h ALA 43 Ca -0.39 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.68 1btj h ALA 43 Cb 1.23 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.81 1btj h ALA 43 CO 0.66 0.00 0.68 -1.54 0.00 0.00 0.00 179.25 179.05 1btj s SER 44 N -5.33 -0.25 0.08 0.00 1.04 -1.26 -4.88 113.70 103.11 1btj s SER 44 Ca 0.04 0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 1btj s SER 44 Cb 0.09 0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.55 1btj s SER 44 CO 0.54 -0.30 0.47 0.00 0.98 0.00 0.00 173.24 174.92 1btj n TYR 45 N 0.32 0.08 -0.05 5.02 4.11 -1.26 0.13 117.16 125.51 1btj n TYR 45 Ca -0.05 0.37 -0.12 0.00 -0.00 0.00 0.00 57.90 58.10 1btj n TYR 45 Cb 0.59 -0.66 -0.06 0.00 -0.00 0.00 0.00 39.34 39.21 1btj n TYR 45 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1btj h LEU 46 N 0.00 0.27 -1.24 -3.48 3.38 -1.98 -0.41 115.31 111.85 1btj h LEU 46 Ca 0.13 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.86 1btj h LEU 46 Cb 0.21 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1btj h LEU 46 CO -0.31 0.57 0.57 0.44 0.09 0.00 0.00 178.44 179.80 1btj h ASP 47 N -0.03 0.73 -0.43 -0.43 3.32 0.69 0.47 116.42 120.75 1btj h ASP 47 Ca 0.04 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1btj h ASP 47 Cb 0.44 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1btj h ASP 47 CO 0.01 0.41 0.04 0.00 -1.72 0.00 0.00 179.24 177.99 1btj h ILE 49 N 0.58 1.08 0.23 0.00 2.04 0.99 -0.18 117.51 122.25 1btj h ILE 49 Ca 0.13 -0.20 -0.34 0.00 1.00 0.00 0.00 64.86 65.44 1btj h ILE 49 Cb 0.42 0.44 0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1btj h ILE 49 CO 0.01 0.11 -1.57 0.03 0.00 0.00 0.00 178.15 176.73 1btj h ARG 50 N 0.58 0.48 0.00 2.37 3.08 0.29 -2.73 114.38 118.46 1btj h ARG 50 Ca 0.19 -0.83 -0.01 0.00 0.07 0.00 0.00 59.98 59.40 1btj h ARG 50 Cb 0.03 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1btj h ARG 50 CO -0.04 1.39 -0.05 0.00 -1.07 0.00 0.00 179.97 180.20 1btj h ALA 51 N 0.16 1.22 0.04 0.04 0.00 0.49 0.36 119.26 121.56 1btj h ALA 51 Ca -0.28 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1btj h ALA 51 Cb 2.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1btj h ALA 51 CO 0.24 0.07 -0.41 0.82 0.00 0.00 0.00 179.25 179.97 1btj h ILE 52 N 0.00 1.59 -0.35 0.00 2.04 -1.08 0.22 117.51 119.94 1btj h ILE 52 Ca -0.00 -2.38 0.07 0.00 1.00 0.00 0.00 64.86 63.56 1btj h ILE 52 Cb 0.21 3.18 -0.07 0.00 -0.74 0.00 0.00 36.82 39.40 1btj h ILE 52 CO 0.01 0.61 -0.14 0.00 0.00 0.00 0.00 178.15 178.62 1btj h ALA 53 N -0.04 0.14 0.00 1.87 0.00 -0.89 -0.68 119.26 119.67 1btj h ALA 53 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1btj h ALA 53 Cb 1.23 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1btj h ALA 53 CO 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1btj n ALA 54 N -2.73 2.19 -3.04 0.00 0.00 -0.01 -4.88 120.51 112.05 1btj n ALA 54 Ca 0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1btj n ALA 54 Cb 0.24 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.55 1btj n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1btj n ASN 55 N -0.78 -3.96 -0.00 0.00 5.15 -0.26 -4.94 115.26 110.47 1btj n ASN 55 Ca 0.09 -0.30 0.02 0.00 -0.60 0.00 0.00 54.58 53.79 1btj n ASN 55 Cb 0.04 -2.96 -0.03 0.00 -0.53 0.00 0.00 39.78 36.30 1btj n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1btj n GLU 56 N -2.90 1.56 -4.03 1.20 1.02 0.72 -5.02 120.64 113.19 1btj n GLU 56 Ca -0.02 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 56.99 1btj n GLU 56 Cb 0.54 -1.00 -0.08 0.00 -0.02 0.00 0.00 31.44 30.88 1btj n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1btj s ALA 57 N -2.08 0.32 -0.07 0.62 0.00 -0.78 -4.97 121.76 114.81 1btj s ALA 57 Ca -0.01 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1btj s ALA 57 Cb 0.03 0.86 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 1btj s ALA 57 CO 0.18 -0.59 -0.02 -0.25 0.00 0.00 0.00 175.76 175.08 1btj n ASP 58 N -0.17 3.49 -3.76 0.00 8.00 0.16 -4.27 116.55 119.99 1btj n ASP 58 Ca -0.07 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 1btj n ASP 58 Cb 0.63 0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 41.91 1btj n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1btj s ALA 59 N -2.15 -0.83 0.14 2.24 0.00 -0.85 -4.31 121.76 116.00 1btj s ALA 59 Ca -0.06 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1btj s ALA 59 Cb 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1btj s ALA 59 CO 0.21 -0.19 -0.10 0.14 0.00 0.00 0.00 175.76 175.81 1btj s VAL 60 N -0.23 1.14 -0.02 0.00 -7.23 -1.25 -0.17 120.40 112.64 1btj s VAL 60 Ca -0.04 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1btj s VAL 60 Cb -0.03 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1btj s VAL 60 CO 0.02 -0.69 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.15 1btj s THR 61 N -3.09 3.61 0.05 5.32 2.01 -1.26 -1.45 115.64 120.84 1btj s THR 61 Ca 0.14 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1btj s THR 61 Cb 0.01 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1btj s THR 61 CO 0.01 0.46 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.60 1btj s LEU 62 N -1.21 2.48 0.44 4.42 1.43 -0.19 -4.90 118.68 121.15 1btj s LEU 62 Ca 0.15 -0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 1btj s LEU 62 Cb -0.11 0.16 -0.08 0.00 0.03 0.00 0.00 46.19 46.19 1btj s LEU 62 CO 0.05 -0.57 0.87 -1.81 0.23 0.00 0.00 176.35 175.13 1btj s ASP 63 N -2.86 6.65 0.32 2.29 1.01 -1.26 -1.07 116.67 121.75 1btj s ASP 63 Ca 0.06 1.40 0.14 0.00 0.71 0.00 0.00 52.55 54.86 1btj s ASP 63 Cb 0.07 -2.43 1.07 0.00 1.01 0.00 0.00 42.92 42.64 1btj s ASP 63 CO -0.09 -0.44 1.43 0.00 0.21 0.00 0.00 175.17 176.28 1btj n ALA 64 N -1.19 0.80 -0.17 5.23 0.00 -1.24 -0.49 120.51 123.44 1btj n ALA 64 Ca 0.05 0.94 -0.01 0.00 0.00 0.00 0.00 53.44 54.42 1btj n ALA 64 Cb 0.54 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.20 1btj n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1btj h GLY 65 N 0.00 0.62 1.92 0.00 0.00 -1.91 0.28 103.07 103.97 1btj h GLY 65 Ca 0.71 0.02 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1btj h GLY 65 CO -0.74 -0.12 -0.05 1.04 0.00 0.00 0.00 176.54 176.66 1btj n LEU 66 N -5.18 0.27 -0.14 3.11 4.77 0.35 -2.66 117.00 117.52 1btj n LEU 66 Ca 0.07 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1btj n LEU 66 Cb 0.29 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1btj n LEU 66 CO 0.16 -0.04 0.76 0.58 -1.33 0.00 0.00 177.39 177.52 1btj h VAL 67 N 0.00 1.27 -0.68 4.08 2.07 0.00 -0.33 116.25 122.66 1btj h VAL 67 Ca 0.00 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1btj h VAL 67 Cb 0.57 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1btj h VAL 67 CO 0.00 0.37 0.18 0.22 0.02 0.00 0.00 177.57 178.36 1btj h TYR 68 N 0.60 1.12 -0.10 1.57 3.20 -1.10 -2.32 116.97 119.94 1btj h TYR 68 Ca 0.11 -0.12 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1btj h TYR 68 Cb 0.54 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.51 1btj h TYR 68 CO 0.04 0.90 -0.83 -0.44 -1.64 0.00 0.00 178.16 176.20 1btj h ASP 69 N 1.03 0.90 -0.51 -2.11 3.32 -1.50 -3.12 116.42 114.41 1btj h ASP 69 Ca 0.22 -0.67 0.13 0.00 0.02 0.00 0.00 57.03 56.73 1btj h ASP 69 Cb 0.34 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1btj h ASP 69 CO -0.00 1.43 0.36 0.00 -1.72 0.00 0.00 179.24 179.31 1btj h ALA 70 N 0.49 2.32 0.04 3.45 0.00 -0.76 -2.53 119.26 122.27 1btj h ALA 70 Ca -0.08 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1btj h ALA 70 Cb 1.47 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.28 1btj h ALA 70 CO 0.17 -0.46 -0.84 -0.92 0.00 0.00 0.00 179.25 177.20 1btj h TYR 71 N 0.12 0.77 -2.78 0.00 5.03 -1.40 0.37 116.97 119.07 1btj h TYR 71 Ca 0.24 -0.45 -0.53 0.00 2.58 0.00 0.00 58.73 60.58 1btj h TYR 71 Cb 0.80 -0.08 0.23 0.00 1.55 0.00 0.00 36.73 39.24 1btj h TYR 71 CO -0.00 1.28 -1.12 1.28 -1.32 0.00 0.00 178.16 178.29 1btj n LEU 72 N -4.06 -2.44 -4.80 2.82 4.77 -0.95 -2.56 117.00 109.78 1btj n LEU 72 Ca -0.12 0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 1btj n LEU 72 Cb 0.79 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1btj n LEU 72 CO 0.51 -4.40 0.66 0.00 -1.33 0.00 0.00 177.39 172.83 1btj s ALA 73 N -2.24 3.11 -0.33 -1.18 0.00 -1.26 -0.28 121.76 119.57 1btj s ALA 73 Ca 0.50 0.48 0.10 0.00 0.00 0.00 0.00 51.96 53.04 1btj s ALA 73 Cb -0.18 -3.18 0.72 0.00 0.00 0.00 0.00 23.12 20.48 1btj s ALA 73 CO 0.73 0.11 1.74 -0.35 0.00 0.00 0.00 175.76 177.98 1btj n PRO 74 N -0.11 3.83 0.01 0.00 -0.04 -1.26 -4.88 135.00 132.55 1btj n PRO 74 Ca 0.05 -2.91 -0.05 0.00 -0.04 0.00 0.00 63.50 60.54 1btj n PRO 74 Cb 0.52 -2.18 -0.11 0.00 -0.04 0.00 0.00 33.50 31.68 1btj n PRO 74 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1btj h ASN 75 N 2.80 0.00 -3.56 3.54 4.21 -1.38 -3.49 115.58 117.71 1btj h ASN 75 Ca 0.20 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.66 1btj h ASN 75 Cb 2.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.39 1btj h ASN 75 CO 0.66 0.84 -0.13 0.59 -1.29 0.00 0.00 177.43 178.11 1btj n ASN 76 N -3.02 -0.56 -4.55 5.81 4.13 0.61 -4.53 115.26 113.15 1btj n ASN 76 Ca -0.12 -0.05 -0.33 0.00 1.68 0.00 0.00 54.58 55.75 1btj n ASN 76 Cb 0.96 -0.17 -0.12 0.00 -1.54 0.00 0.00 39.78 38.92 1btj n ASN 76 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1btj s LEU 77 N -1.08 3.03 0.10 3.41 1.43 0.13 -2.94 118.68 122.77 1btj s LEU 77 Ca 0.03 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1btj s LEU 77 Cb -0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1btj s LEU 77 CO 0.09 0.34 0.08 -1.59 0.23 0.00 0.00 176.35 175.50 1btj s LYS 78 N -0.94 2.83 -0.11 1.70 -2.85 -0.37 -3.63 119.74 116.37 1btj s LYS 78 Ca 0.13 -0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 1btj s LYS 78 Cb -0.11 -2.68 -0.02 0.00 -2.06 0.00 0.00 37.83 32.96 1btj s LYS 78 CO 0.03 0.54 1.19 -1.25 0.10 0.00 0.00 175.35 175.96 1btj s PRO 79 N -2.55 4.31 -0.11 1.78 0.04 -1.26 -2.46 135.00 134.75 1btj s PRO 79 Ca 0.29 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1btj s PRO 79 Cb -0.12 -3.63 -0.06 0.00 0.04 0.00 0.00 34.50 30.73 1btj s PRO 79 CO 0.22 -0.53 -0.12 1.33 0.04 0.00 0.00 177.00 177.94 1btj n VAL 80 N 4.90 0.63 -4.75 -0.36 0.24 -0.43 -4.86 118.33 113.70 1btj n VAL 80 Ca 0.12 -0.21 -0.25 0.00 -2.04 0.00 0.00 64.34 61.96 1btj n VAL 80 Cb 0.46 -1.19 -0.16 0.00 -1.47 0.00 0.00 33.84 31.48 1btj n VAL 80 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1btj s VAL 81 N -2.22 1.31 0.36 3.34 1.01 -1.14 -2.03 120.40 121.04 1btj s VAL 81 Ca -0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1btj s VAL 81 Cb 0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1btj s VAL 81 CO 0.23 0.38 0.58 0.00 0.00 0.00 0.00 175.10 176.30 1btj s ALA 82 N 0.11 3.66 -0.24 5.51 0.00 0.16 0.04 121.76 131.00 1btj s ALA 82 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1btj s ALA 82 Cb -0.11 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.86 1btj s ALA 82 CO 0.02 -0.06 -0.11 -2.00 0.00 0.00 0.00 175.76 173.61 1btj s GLU 83 N -4.35 2.66 0.27 0.00 2.12 -1.11 -0.89 118.70 117.39 1btj s GLU 83 Ca 0.41 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1btj s GLU 83 Cb -0.10 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 1btj s GLU 83 CO 0.37 -0.41 0.46 -0.59 -0.54 0.00 0.00 175.26 174.54 1btj s PHE 84 N 1.24 3.48 0.28 5.30 -0.71 -0.69 -4.57 117.98 122.31 1btj s PHE 84 Ca -0.02 0.29 0.02 0.00 -1.04 0.00 0.00 56.93 56.19 1btj s PHE 84 Cb -0.17 -1.83 -0.04 0.00 -1.21 0.00 0.00 43.02 39.77 1btj s PHE 84 CO -0.07 0.28 0.14 0.71 -1.34 0.00 0.00 175.22 174.94 1btj s TYR 85 N -2.08 1.55 0.00 3.49 1.51 -0.14 -0.07 117.35 121.62 1btj s TYR 85 Ca 0.38 -1.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.14 1btj s TYR 85 Cb -0.10 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1btj s TYR 85 CO 0.32 -0.46 0.00 0.41 -1.11 0.00 0.00 175.55 174.70 1btj n GLY 86 N -0.52 1.12 0.00 0.71 0.00 -1.26 -1.92 105.19 103.32 1btj n GLY 86 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1btj n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1btj n SER 87 N 2.34 0.00 0.00 1.61 3.41 -1.26 -5.01 113.62 114.71 1btj n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1btj n SER 87 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1btj n SER 87 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1btj n LYS 88 N 0.00 3.21 -0.09 4.33 4.76 -1.26 -4.64 118.16 124.47 1btj n LYS 88 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1btj n LYS 88 Cb 0.00 -0.69 -0.12 0.00 -1.84 0.00 0.00 35.03 32.38 1btj n LYS 88 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1btj h GLU 89 N 0.00 0.01 -2.43 1.97 9.09 -1.98 -3.39 114.58 117.85 1btj h GLU 89 Ca 0.00 -0.02 -0.60 0.00 0.05 0.00 0.00 59.36 58.78 1btj h GLU 89 Cb 0.09 0.01 -0.42 0.00 -1.65 0.00 0.00 28.75 26.78 1btj h GLU 89 CO 0.00 1.01 -0.60 -3.47 0.05 0.00 0.00 179.01 176.00 1btj n ASP 90 N -4.45 3.46 -4.69 3.06 2.03 -1.26 -5.08 116.55 109.61 1btj n ASP 90 Ca -0.25 -3.36 -0.40 0.00 0.52 0.00 0.00 54.79 51.30 1btj n ASP 90 Cb 0.64 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 40.30 1btj n ASP 90 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1btj s PRO 91 N -2.16 4.36 -0.12 -0.67 0.04 -1.26 -4.00 135.00 131.18 1btj s PRO 91 Ca 0.36 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 1btj s PRO 91 Cb 0.10 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1btj s PRO 91 CO -0.06 -0.09 0.16 -0.65 0.04 0.00 0.00 177.00 176.41 1btj s GLN 92 N 1.35 3.60 -0.00 4.56 1.11 -0.81 -4.90 119.66 124.57 1btj s GLN 92 Ca 0.36 -0.09 0.04 0.00 0.01 0.00 0.00 55.36 55.67 1btj s GLN 92 Cb -0.17 -3.23 -0.05 0.00 -1.01 0.00 0.00 33.01 28.55 1btj s GLN 92 CO 0.15 0.69 0.12 0.25 0.01 0.00 0.00 175.29 176.51 1btj n THR 93 N 2.22 0.00 -4.33 -0.19 -2.24 -1.26 -0.96 114.28 107.52 1btj n THR 93 Ca -0.19 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 1btj n THR 93 Cb 0.54 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 1btj n THR 93 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1btj s PHE 94 N -1.78 2.53 -0.10 4.78 0.40 -1.26 -1.24 117.98 121.32 1btj s PHE 94 Ca 0.00 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1btj s PHE 94 Cb 0.03 -1.24 0.01 0.00 0.51 0.00 0.00 43.02 42.33 1btj s PHE 94 CO 0.15 0.52 -0.17 1.52 0.70 0.00 0.00 175.22 177.94 1btj s TYR 95 N -1.73 1.99 0.25 0.36 -0.85 0.17 -4.86 117.35 112.68 1btj s TYR 95 Ca 0.24 -0.86 -0.27 0.00 -0.52 0.00 0.00 57.07 55.66 1btj s TYR 95 Cb -0.08 -1.40 -0.09 0.00 0.38 0.00 0.00 41.96 40.76 1btj s TYR 95 CO 0.14 -0.41 0.89 0.71 -1.52 0.00 0.00 175.55 175.36 1btj s TYR 96 N 0.74 3.86 -0.26 -3.49 2.02 -1.26 -2.47 117.35 116.48 1btj s TYR 96 Ca -0.12 1.78 -0.10 0.00 -0.37 0.00 0.00 57.07 58.26 1btj s TYR 96 Cb -0.16 -2.89 -0.05 0.00 -0.40 0.00 0.00 41.96 38.47 1btj s TYR 96 CO 0.02 0.39 0.16 0.00 -1.57 0.00 0.00 175.55 174.55 1btj s ALA 97 N -1.33 3.48 0.52 3.71 0.00 -1.16 -0.05 121.76 126.94 1btj s ALA 97 Ca 0.43 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1btj s ALA 97 Cb -0.22 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1btj s ALA 97 CO 0.27 -0.43 0.11 0.14 0.00 0.00 0.00 175.76 175.85 1btj s VAL 98 N 1.53 1.25 -0.37 0.00 -7.23 0.72 -1.33 120.40 114.97 1btj s VAL 98 Ca 0.07 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1btj s VAL 98 Cb -0.15 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 34.82 1btj s VAL 98 CO 0.08 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.12 1btj s ALA 99 N -2.86 1.09 0.24 1.32 0.00 -1.26 -2.62 121.76 117.67 1btj s ALA 99 Ca 0.12 -2.05 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 1btj s ALA 99 Cb 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.43 1btj s ALA 99 CO 0.07 -2.07 1.05 0.08 0.00 0.00 0.00 175.76 174.89 1btj s VAL 100 N 0.77 3.77 0.00 0.00 1.01 -0.83 -1.40 120.40 123.72 1btj s VAL 100 Ca 0.22 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1btj s VAL 100 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1btj s VAL 100 CO -0.05 0.37 0.00 1.33 0.00 0.00 0.00 175.10 176.76 1btj n VAL 101 N 1.62 0.00 -5.00 2.92 0.24 0.12 -1.21 118.33 117.02 1btj n VAL 101 Ca -0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.97 1btj n VAL 101 Cb 0.46 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 1btj n VAL 101 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1btj s LYS 102 N 1.36 2.58 -0.07 7.34 2.20 -1.26 -3.32 119.74 128.57 1btj s LYS 102 Ca 0.00 -0.76 -0.36 0.00 -0.36 0.00 0.00 55.97 54.49 1btj s LYS 102 Cb 0.00 -2.33 -0.14 0.00 -1.51 0.00 0.00 37.83 33.86 1btj s LYS 102 CO 0.00 0.52 1.73 1.17 -0.36 0.00 0.00 175.35 178.41 1btj n LYS 103 N 2.60 1.83 -1.02 4.03 0.00 -0.75 -0.17 118.16 124.67 1btj n LYS 103 Ca -0.17 0.67 -0.01 0.00 0.00 0.00 0.00 58.31 58.80 1btj n LYS 103 Cb 0.52 -2.44 -0.00 0.00 0.00 0.00 0.00 35.03 33.11 1btj n LYS 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1btj n ASP 104 N 5.30 -3.88 -0.72 3.14 8.00 -1.26 -4.90 116.55 122.22 1btj n ASP 104 Ca 0.22 0.02 -0.00 0.00 0.71 0.00 0.00 54.79 55.74 1btj n ASP 104 Cb 0.24 -1.45 0.01 0.00 -0.02 0.00 0.00 41.12 39.91 1btj n ASP 104 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1btj n SER 105 N -0.15 1.81 -1.90 -2.24 3.41 0.76 -4.91 113.62 110.41 1btj n SER 105 Ca -0.01 -2.05 -0.02 0.00 -0.26 0.00 0.00 58.87 56.53 1btj n SER 105 Cb 0.16 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1btj n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1btj n GLY 106 N 0.16 0.01 0.00 5.00 0.00 -1.26 -5.00 105.19 104.10 1btj n GLY 106 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1btj n GLY 106 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1btj n PHE 107 N 0.80 0.00 -3.31 1.61 1.16 -1.26 -5.15 117.46 111.31 1btj n PHE 107 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.38 1btj n PHE 107 Cb 0.26 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.14 1btj n PHE 107 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1btj s GLN 108 N -0.70 2.53 0.34 3.97 -1.52 -1.26 -4.98 119.66 118.04 1btj s GLN 108 Ca 0.00 -1.53 0.12 0.00 -1.95 0.00 0.00 55.36 51.99 1btj s GLN 108 Cb 0.00 -2.52 1.07 0.00 -0.22 0.00 0.00 33.01 31.33 1btj s GLN 108 CO 0.00 -0.43 1.58 1.98 -0.25 0.00 0.00 175.29 178.17 1btj h MET 109 N 0.67 0.01 -3.21 2.91 4.05 -1.84 -0.25 114.93 117.28 1btj h MET 109 Ca -0.38 -0.00 -0.71 0.00 -0.28 0.00 0.00 59.70 58.33 1btj h MET 109 Cb 1.28 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.03 1btj h MET 109 CO 0.50 0.01 3.09 0.27 0.23 0.00 0.00 176.91 181.00 1btj n ASN 110 N -5.36 6.95 0.00 1.39 6.94 -1.26 -3.36 115.26 120.55 1btj n ASN 110 Ca 0.31 -2.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.02 1btj n ASN 110 Cb 1.04 -1.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 1btj n ASN 110 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1btj n GLN 111 N 3.75 0.00 0.26 -3.83 6.02 -0.10 -4.99 117.38 118.48 1btj n GLN 111 Ca 0.63 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.77 1btj n GLN 111 Cb 0.29 0.00 0.85 0.00 1.02 0.00 0.00 30.24 32.40 1btj n GLN 111 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1btj h LEU 112 N 0.00 0.00 -9.25 1.08 3.38 -1.66 -3.43 115.31 105.42 1btj h LEU 112 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1btj h LEU 112 Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 1btj h LEU 112 CO 0.00 0.00 1.00 -1.14 0.09 0.00 0.00 178.44 178.39 1btj n ARG 113 N -3.93 1.86 0.00 1.13 0.63 -1.26 0.63 116.66 115.71 1btj n ARG 113 Ca -0.01 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 1btj n ARG 113 Cb 0.17 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.61 1btj n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1btj n GLY 114 N 4.22 2.79 3.59 5.14 0.00 0.51 -4.98 105.19 116.45 1btj n GLY 114 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1btj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1btj s LYS 115 N -0.18 -1.18 -0.14 1.61 -0.14 0.21 -2.79 119.74 117.12 1btj s LYS 115 Ca 0.00 -0.02 -0.01 0.00 -1.36 0.00 0.00 55.97 54.57 1btj s LYS 115 Cb 0.00 -1.60 -0.02 0.00 -1.68 0.00 0.00 37.83 34.53 1btj s LYS 115 CO 0.00 -3.69 -0.10 0.15 -0.76 0.00 0.00 175.35 170.95 1btj s LYS 116 N -5.36 3.48 -0.10 1.68 1.02 -1.26 0.28 119.74 119.48 1btj s LYS 116 Ca 0.70 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 1btj s LYS 116 Cb -0.10 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1btj s LYS 116 CO 0.56 0.21 -0.06 -1.54 -0.92 0.00 0.00 175.35 173.60 1btj s SER 117 N 0.39 4.66 -0.19 2.83 1.04 -1.17 0.62 113.70 121.88 1btj s SER 117 Ca -0.08 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1btj s SER 117 Cb -0.15 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1btj s SER 117 CO 0.04 0.28 -0.05 0.00 0.98 0.00 0.00 173.24 174.50 1btj s HIS 119 N 1.01 2.50 -0.01 0.00 3.76 -0.83 -0.89 115.29 120.85 1btj s HIS 119 Ca 0.00 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 1btj s HIS 119 Cb -0.15 -1.20 -0.26 0.00 1.11 0.00 0.00 32.58 32.09 1btj s HIS 119 CO 0.00 0.62 0.82 1.79 -0.85 0.00 0.00 174.74 177.12 1btj h THR 120 N 2.01 1.10 0.00 1.30 1.35 -1.75 -3.40 112.91 113.52 1btj h THR 120 Ca -0.42 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 1btj h THR 120 Cb 1.25 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1btj h THR 120 CO 0.62 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 177.27 1btj n GLY 121 N 1.63 1.63 3.73 5.82 0.00 -1.26 -0.70 105.19 116.04 1btj n GLY 121 Ca -0.16 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1btj n GLY 121 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1btj s LEU 122 N 0.00 4.37 0.00 0.99 0.20 -0.47 -1.75 118.68 122.01 1btj s LEU 122 Ca 0.00 2.79 0.00 0.00 0.69 0.00 0.00 54.13 57.61 1btj s LEU 122 Cb 0.00 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.15 1btj s LEU 122 CO 0.00 -0.89 0.00 0.61 -0.29 0.00 0.00 176.35 175.78 1btj n GLY 123 N 3.27 3.18 3.70 7.98 0.00 -1.26 -4.95 105.19 117.11 1btj n GLY 123 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1btj n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1btj s ARG 124 N -0.43 4.39 0.14 1.61 0.52 -0.72 -4.64 118.95 119.83 1btj s ARG 124 Ca 0.00 1.73 -0.25 0.00 -0.52 0.00 0.00 55.73 56.69 1btj s ARG 124 Cb 0.00 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 1btj s ARG 124 CO 0.00 -0.35 1.61 0.77 0.02 0.00 0.00 175.30 177.35 1btj h SER 125 N 7.15 -1.01 0.44 0.23 0.02 -1.94 0.32 113.55 118.76 1btj h SER 125 Ca -0.38 0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 1btj h SER 125 Cb 1.19 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 64.16 1btj h SER 125 CO 0.84 -0.35 -0.49 0.00 -1.14 0.00 0.00 176.83 175.70 1btj h ALA 126 N 0.51 1.15 0.10 3.77 0.00 -1.94 0.57 119.26 123.41 1btj h ALA 126 Ca 0.11 -0.45 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 1btj h ALA 126 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1btj h ALA 126 CO -0.40 0.62 -1.62 0.78 0.00 0.00 0.00 179.25 178.64 1btj h GLY 127 N 1.44 0.25 0.00 0.00 0.00 -1.69 -3.39 103.07 99.68 1btj h GLY 127 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1btj h GLY 127 CO 0.07 0.57 0.00 1.87 0.00 0.00 0.00 176.54 179.04 1btj n TRP 128 N -3.41 -0.00 -0.28 5.60 -0.00 0.11 -4.64 117.44 114.81 1btj n TRP 128 Ca -0.19 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.40 1btj n TRP 128 Cb 1.04 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 32.56 1btj n TRP 128 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1btj h ASN 129 N 0.00 -0.25 0.00 5.87 4.21 -1.35 -1.59 115.58 122.47 1btj h ASN 129 Ca 0.00 0.20 -0.03 0.00 1.21 0.00 0.00 56.30 57.68 1btj h ASN 129 Cb 0.00 0.33 -0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1btj h ASN 129 CO 0.00 -0.18 -0.20 0.40 -1.29 0.00 0.00 177.43 176.16 1btj h ILE 130 N 0.13 1.32 -0.51 2.81 2.04 -0.11 -2.75 117.51 120.44 1btj h ILE 130 Ca 0.47 -2.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1btj h ILE 130 Cb 0.88 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.51 1btj h ILE 130 CO -0.68 0.45 0.24 1.55 0.00 0.00 0.00 178.15 179.71 1btj h PRO 131 N -1.00 0.74 0.48 2.37 0.13 -1.74 -2.40 132.00 130.58 1btj h PRO 131 Ca -0.05 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 1btj h PRO 131 Cb 0.87 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1btj h PRO 131 CO -0.03 0.62 -0.23 0.82 -0.23 0.00 0.00 178.00 178.95 1btj h ILE 132 N 0.69 0.47 -0.93 -3.56 1.08 -1.47 -2.02 117.51 111.76 1btj h ILE 132 Ca 0.18 -0.31 0.27 0.00 -0.39 0.00 0.00 64.86 64.60 1btj h ILE 132 Cb 0.13 0.60 -0.16 0.00 -3.07 0.00 0.00 36.82 34.32 1btj h ILE 132 CO -0.02 0.05 0.20 1.23 -0.69 0.00 0.00 178.15 178.92 1btj h GLY 133 N -0.85 1.44 0.93 5.37 0.00 -1.35 0.36 103.07 108.96 1btj h GLY 133 Ca -0.07 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 1btj h GLY 133 CO 0.11 -0.47 -0.37 1.41 0.00 0.00 0.00 176.54 177.21 1btj h LEU 134 N 0.11 0.68 0.00 3.11 3.38 -1.36 -2.95 115.31 118.28 1btj h LEU 134 Ca 0.60 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1btj h LEU 134 Cb 1.30 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1btj h LEU 134 CO -0.76 1.09 0.00 0.18 0.09 0.00 0.00 178.44 179.04 1btj n LEU 135 N -4.26 0.00 -0.14 1.67 4.77 0.31 -4.51 117.00 114.84 1btj n LEU 135 Ca -0.06 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 1btj n LEU 135 Cb 0.52 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1btj n LEU 135 CO 0.45 -0.02 0.23 0.00 -1.33 0.00 0.00 177.39 176.72 1btj n TYR 136 N -1.37 -0.15 0.54 -1.77 9.36 0.10 0.16 117.16 124.03 1btj n TYR 136 Ca 0.11 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.75 1btj n TYR 136 Cb 0.26 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 1btj n TYR 136 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1btj n ASP 138 N 0.26 0.16 -4.74 0.00 9.92 0.12 -4.99 116.55 117.29 1btj n ASP 138 Ca 0.00 -0.54 -0.41 0.00 -0.53 0.00 0.00 54.79 53.31 1btj n ASP 138 Cb 0.14 0.71 -0.05 0.00 -0.64 0.00 0.00 41.12 41.28 1btj n ASP 138 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1btj s LEU 139 N -1.41 4.56 0.19 0.64 1.43 -0.35 -4.97 118.68 118.77 1btj s LEU 139 Ca 0.00 1.89 -0.32 0.00 -1.03 0.00 0.00 54.13 54.67 1btj s LEU 139 Cb 0.00 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 1btj s LEU 139 CO 0.00 0.01 1.61 -2.16 0.23 0.00 0.00 176.35 176.03 1btj s PRO 140 N -0.51 4.19 0.37 1.29 0.04 -1.26 -4.86 135.00 134.25 1btj s PRO 140 Ca 0.45 2.44 -0.27 0.00 0.04 0.00 0.00 61.00 63.65 1btj s PRO 140 Cb -0.25 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 1btj s PRO 140 CO 0.31 -0.64 1.32 -1.21 0.04 0.00 0.00 177.00 176.82 1btj s GLU 141 N 1.03 4.17 0.03 4.56 8.01 -1.26 -3.66 118.70 131.58 1btj s GLU 141 Ca 0.71 2.22 -0.30 0.00 0.01 0.00 0.00 54.97 57.60 1btj s GLU 141 Cb -0.46 -2.93 -0.08 0.00 -4.31 0.00 0.00 34.13 26.36 1btj s GLU 141 CO 0.32 -0.35 1.74 -1.25 0.01 0.00 0.00 175.26 175.74 1btj s PRO 142 N -2.01 4.18 0.00 0.39 0.04 -1.26 -5.09 135.00 131.25 1btj s PRO 142 Ca 0.53 2.37 0.16 0.00 0.04 0.00 0.00 61.00 64.09 1btj s PRO 142 Cb -0.40 -3.85 0.55 0.00 0.04 0.00 0.00 34.50 30.84 1btj s PRO 142 CO 0.52 -0.83 1.41 0.54 0.04 0.00 0.00 177.00 178.68 1btj n ARG 143 N 6.53 1.73 -4.43 4.56 1.74 -1.24 -4.17 116.66 121.38 1btj n ARG 143 Ca 0.17 -1.12 -0.29 0.00 -0.77 0.00 0.00 57.85 55.84 1btj n ARG 143 Cb 0.41 -1.33 -0.17 0.00 -1.02 0.00 0.00 32.46 30.36 1btj n ARG 143 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1btj s LYS 144 N -1.68 2.26 0.83 5.56 -0.14 -1.26 -3.03 119.74 122.28 1btj s LYS 144 Ca 0.28 -0.57 -0.12 0.00 -1.36 0.00 0.00 55.97 54.19 1btj s LYS 144 Cb 0.15 -1.93 0.09 0.00 -1.68 0.00 0.00 37.83 34.46 1btj s LYS 144 CO 0.21 -0.07 1.16 -1.25 -0.76 0.00 0.00 175.35 174.64 1btj s PRO 145 N 1.02 1.80 0.06 -1.68 0.04 -1.26 -4.91 135.00 130.07 1btj s PRO 145 Ca -0.06 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 60.96 1btj s PRO 145 Cb -0.15 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 1btj s PRO 145 CO -0.02 -1.72 1.51 1.25 0.04 0.00 0.00 177.00 178.06 1btj h LEU 146 N -1.15 0.23 -1.76 -3.56 5.85 -1.91 -2.36 115.31 110.65 1btj h LEU 146 Ca -0.47 -0.28 0.17 0.00 0.84 0.00 0.00 57.88 58.14 1btj h LEU 146 Cb 1.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1btj h LEU 146 CO 0.65 0.45 0.64 -0.33 -0.34 0.00 0.00 178.44 179.51 1btj h GLU 147 N 0.00 0.00 0.14 1.25 5.08 -1.98 0.35 114.58 119.43 1btj h GLU 147 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1btj h GLU 147 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1btj h GLU 147 CO 0.00 0.00 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.73 1btj h LYS 148 N 0.00 -0.19 -0.32 2.33 3.64 -1.80 -3.00 116.57 117.23 1btj h LYS 148 Ca 0.27 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1btj h LYS 148 Cb 1.55 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1btj h LYS 148 CO -0.00 -0.12 0.36 0.00 -2.27 0.00 0.00 179.45 177.41 1btj h ALA 149 N -1.53 2.00 0.00 5.00 0.00 -0.64 0.35 119.26 124.44 1btj h ALA 149 Ca -0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1btj h ALA 149 Cb 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1btj h ALA 149 CO 0.03 -0.52 -1.38 -0.39 0.00 0.00 0.00 179.25 176.99 1btj h VAL 150 N 0.00 1.02 0.00 0.00 -1.51 -1.33 -3.16 116.25 111.28 1btj h VAL 150 Ca 0.15 -2.75 -0.11 0.00 -1.23 0.00 0.00 66.70 62.77 1btj h VAL 150 Cb 0.86 2.47 -0.02 0.00 -2.13 0.00 0.00 31.29 32.48 1btj h VAL 150 CO -0.00 0.58 -0.53 0.00 -1.23 0.00 0.00 177.57 176.40 1btj h ALA 151 N 1.10 1.08 -0.64 5.19 0.00 -0.84 -2.84 119.26 122.31 1btj h ALA 151 Ca -0.17 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 1btj h ALA 151 Cb 1.83 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 19.41 1btj h ALA 151 CO 0.09 0.66 0.28 0.09 0.00 0.00 0.00 179.25 180.37 1btj n ASN 152 N -3.84 4.18 0.00 0.00 3.02 -0.33 -4.33 115.26 113.96 1btj n ASN 152 Ca -0.01 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1btj n ASN 152 Cb 0.55 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1btj n ASN 152 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1btj n PHE 153 N -0.21 0.00 -4.25 3.10 -0.00 -1.08 -4.64 117.46 110.39 1btj n PHE 153 Ca 0.36 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.49 1btj n PHE 153 Cb 1.25 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 40.64 1btj n PHE 153 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1btj s PHE 154 N -1.38 3.06 -0.44 -5.13 0.08 -1.16 -0.36 117.98 112.65 1btj s PHE 154 Ca 0.00 0.06 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1btj s PHE 154 Cb 0.00 -1.64 -0.18 0.00 -0.57 0.00 0.00 43.02 40.63 1btj s PHE 154 CO 0.00 0.47 2.94 -1.13 -0.10 0.00 0.00 175.22 177.40 1btj n SER 155 N 1.20 5.31 0.00 1.36 3.41 0.14 -4.78 113.62 120.27 1btj n SER 155 Ca -0.14 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1btj n SER 155 Cb 0.52 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1btj n SER 155 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1btj n GLY 156 N 2.93 2.27 0.00 5.00 0.00 -1.26 -4.79 105.19 109.34 1btj n GLY 156 Ca 0.45 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1btj n GLY 156 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1btj n SER 157 N 0.00 0.00 -3.47 1.61 7.64 -1.14 -3.06 113.62 115.21 1btj n SER 157 Ca 0.00 -0.29 -0.22 0.00 1.01 0.00 0.00 58.87 59.37 1btj n SER 157 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1btj n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1btj s ALA 159 N 2.26 3.67 0.18 0.00 0.00 0.07 -1.96 121.76 125.98 1btj s ALA 159 Ca 0.09 -3.51 -0.33 0.00 0.00 0.00 0.00 51.96 48.21 1btj s ALA 159 Cb -0.15 -2.41 -0.15 0.00 0.00 0.00 0.00 23.12 20.41 1btj s ALA 159 CO -0.30 -2.09 1.20 -2.30 0.00 0.00 0.00 175.76 172.27 1btj n PRO 160 N 2.79 1.27 -1.61 0.00 -0.02 -1.26 -1.59 135.00 134.57 1btj n PRO 160 Ca 0.12 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 1btj n PRO 160 Cb 0.35 -1.97 -0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1btj n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1btj s ALA 162 N -2.06 3.68 -1.13 0.00 0.00 -0.62 -4.76 121.76 116.87 1btj s ALA 162 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 51.96 50.17 1btj s ALA 162 Cb 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 1btj s ALA 162 CO 0.00 0.12 1.92 -3.47 0.00 0.00 0.00 175.76 174.33 1btj n ASP 163 N -1.26 3.14 0.00 0.00 -0.08 -1.26 -4.70 116.55 112.39 1btj n ASP 163 Ca -0.05 -2.71 0.05 0.00 -1.51 0.00 0.00 54.79 50.57 1btj n ASP 163 Cb 0.59 -1.64 0.32 0.00 2.34 0.00 0.00 41.12 42.73 1btj n ASP 163 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1btj n GLY 164 N 5.53 -0.49 0.01 0.27 0.00 -1.25 0.67 105.19 109.93 1btj n GLY 164 Ca 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 1btj n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1btj n THR 165 N -0.84 0.22 0.31 2.61 -1.04 -1.26 -2.86 114.28 111.42 1btj n THR 165 Ca 0.08 0.46 0.15 0.00 -2.04 0.00 0.00 64.05 62.70 1btj n THR 165 Cb 0.04 -1.64 0.56 0.00 -1.82 0.00 0.00 70.33 67.47 1btj n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1btj h ASP 166 N -0.15 0.00 -1.80 8.00 3.32 -1.96 -3.26 116.42 120.56 1btj h ASP 166 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1btj h ASP 166 Cb 0.08 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.27 1btj h ASP 166 CO 0.00 0.00 -1.07 0.49 -1.72 0.00 0.00 179.24 176.94 1btj n PHE 167 N -2.90 -0.49 0.11 4.55 3.72 0.21 -4.94 117.46 117.72 1btj n PHE 167 Ca 0.02 -3.47 0.05 0.00 -0.05 0.00 0.00 57.45 54.00 1btj n PHE 167 Cb 0.33 -0.18 0.49 0.00 -0.94 0.00 0.00 39.48 39.19 1btj n PHE 167 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1btj h PRO 168 N 3.68 0.29 -1.00 -1.08 0.13 -1.57 -2.65 132.00 129.80 1btj h PRO 168 Ca 0.06 -0.03 0.37 0.00 -0.87 0.00 0.00 66.00 65.53 1btj h PRO 168 Cb 0.92 -0.06 -0.17 0.00 0.13 0.00 0.00 31.00 31.82 1btj h PRO 168 CO 0.45 0.24 0.51 1.96 -0.23 0.00 0.00 178.00 180.93 1btj h GLN 169 N 0.30 0.12 0.00 0.86 7.50 -1.90 0.47 115.11 122.47 1btj h GLN 169 Ca 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1btj h GLN 169 Cb 0.05 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1btj h GLN 169 CO -0.01 0.08 0.00 1.28 -1.50 0.00 0.00 178.83 178.68 1btj n LEU 170 N -5.19 0.00 -0.13 1.46 4.32 -1.00 -2.13 117.00 114.33 1btj n LEU 170 Ca 0.34 0.03 0.04 0.00 -0.02 0.00 0.00 56.01 56.40 1btj n LEU 170 Cb 1.13 -0.03 0.06 0.00 -1.62 0.00 0.00 43.42 42.96 1btj n LEU 170 CO 0.04 -0.01 0.45 0.00 -1.22 0.00 0.00 177.39 176.64 1btj h GLN 172 N 0.00 0.49 0.00 0.00 4.15 -0.87 0.25 115.11 119.12 1btj h GLN 172 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1btj h GLN 172 Cb 0.94 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1btj h GLN 172 CO 0.00 0.33 0.00 1.28 -1.93 0.00 0.00 178.83 178.51 1btj n LEU 173 N -4.86 0.41 -3.21 -2.39 4.32 0.32 -4.31 117.00 107.27 1btj n LEU 173 Ca 0.03 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1btj n LEU 173 Cb 0.10 -0.43 -0.01 0.00 -1.62 0.00 0.00 43.42 41.45 1btj n LEU 173 CO 0.31 -0.16 0.07 0.00 -1.22 0.00 0.00 177.39 176.39 1btj s PRO 175 N 2.02 4.28 0.00 0.00 0.02 0.75 -3.01 135.00 139.06 1btj s PRO 175 Ca 0.15 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1btj s PRO 175 Cb -0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1btj s PRO 175 CO -0.11 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 1btj n GLY 176 N 1.53 2.62 4.29 0.52 0.00 -1.26 -4.63 105.19 108.27 1btj n GLY 176 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1btj n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btj n GLY 178 N -1.70 1.26 2.51 0.00 0.00 -1.26 -1.08 105.19 104.92 1btj n GLY 178 Ca -0.08 0.80 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 1btj n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btj s SER 180 N -0.33 -0.33 0.66 0.00 1.04 -1.26 -4.95 113.70 108.53 1btj s SER 180 Ca 0.54 -0.46 0.43 0.00 0.48 0.00 0.00 55.95 56.94 1btj s SER 180 Cb 0.39 0.67 2.37 0.00 0.10 0.00 0.00 66.02 69.55 1btj s SER 180 CO -0.22 -1.20 2.36 0.71 0.98 0.00 0.00 173.24 175.87 1btj h THR 181 N 2.04 0.06 -0.33 2.02 1.35 -1.92 0.27 112.91 116.40 1btj h THR 181 Ca -0.25 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.71 1btj h THR 181 Cb 1.27 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1btj h THR 181 CO 0.30 0.00 0.24 -0.07 -0.25 0.00 0.00 175.52 175.73 1btj h LEU 182 N 0.00 0.00 -8.47 3.87 3.38 -1.95 -3.29 115.31 108.85 1btj h LEU 182 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1btj h LEU 182 Cb 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 1btj h LEU 182 CO -0.00 0.00 0.76 0.21 0.09 0.00 0.00 178.44 179.50 1btj s ASN 183 N -6.54 6.32 0.23 -0.43 3.84 0.94 -4.88 114.94 114.43 1btj s ASN 183 Ca -0.05 -0.31 0.14 0.00 0.21 0.00 0.00 52.86 52.85 1btj s ASN 183 Cb 0.19 -2.49 0.74 0.00 -0.55 0.00 0.00 41.25 39.14 1btj s ASN 183 CO 0.71 -1.42 1.37 0.00 -2.79 0.00 0.00 177.10 174.97 1btj n GLN 184 N 8.07 0.09 -0.19 0.43 10.64 -1.24 0.42 117.38 135.60 1btj n GLN 184 Ca 0.03 0.56 0.10 0.00 -1.83 0.00 0.00 57.00 55.86 1btj n GLN 184 Cb 0.48 -1.89 0.19 0.00 -0.86 0.00 0.00 30.24 28.17 1btj n GLN 184 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1btj n TYR 185 N -1.98 0.50 -2.43 2.61 4.02 -1.26 -4.46 117.16 114.16 1btj n TYR 185 Ca -0.01 -0.31 -0.36 0.00 -0.01 0.00 0.00 57.90 57.21 1btj n TYR 185 Cb 0.11 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1btj n TYR 185 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1btj s PHE 186 N -1.22 3.06 0.01 -0.72 5.36 0.17 -2.02 117.98 122.62 1btj s PHE 186 Ca 0.33 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1btj s PHE 186 Cb 0.19 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1btj s PHE 186 CO 0.26 -1.00 0.00 0.41 -1.46 0.00 0.00 175.22 173.42 1btj n GLY 187 N 0.27 -1.35 0.22 13.12 0.00 0.12 -2.21 105.19 115.36 1btj n GLY 187 Ca 0.07 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 1btj n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1btj h TYR 188 N -0.04 -0.07 0.00 1.61 0.05 -1.91 0.22 116.97 116.83 1btj h TYR 188 Ca 0.00 0.04 -0.27 0.00 0.05 0.00 0.00 58.73 58.55 1btj h TYR 188 Cb 0.04 0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 1btj h TYR 188 CO 0.00 -0.16 -1.52 0.77 -1.05 0.00 0.00 178.16 176.21 1btj h SER 189 N 0.10 0.00 0.11 3.88 0.02 -1.95 -3.18 113.55 112.54 1btj h SER 189 Ca 0.29 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1btj h SER 189 Cb 0.46 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1btj h SER 189 CO -0.49 1.00 -0.05 1.23 -1.14 0.00 0.00 176.83 177.38 1btj h GLY 190 N 3.36 -0.15 1.62 -3.77 0.00 -1.24 -1.75 103.07 101.14 1btj h GLY 190 Ca -0.21 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1btj h GLY 190 CO 0.09 -0.05 0.14 0.00 0.00 0.00 0.00 176.54 176.72 1btj h ALA 191 N 0.29 2.00 -0.04 3.60 0.00 0.05 0.21 119.26 125.37 1btj h ALA 191 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1btj h ALA 191 Cb 0.44 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1btj h ALA 191 CO 0.02 -0.23 -0.96 0.35 0.00 0.00 0.00 179.25 178.43 1btj h PHE 192 N 0.00 0.99 -0.29 0.00 3.57 -1.49 -3.21 116.94 116.51 1btj h PHE 192 Ca 0.08 -0.51 -0.11 0.00 3.53 0.00 0.00 57.97 60.96 1btj h PHE 192 Cb 0.36 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1btj h PHE 192 CO 0.00 1.34 -0.27 -0.22 -2.23 0.00 0.00 178.31 176.94 1btj h LYS 193 N 0.41 0.57 -0.25 1.11 3.64 0.20 -2.06 116.57 120.19 1btj h LYS 193 Ca -0.10 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 1btj h LYS 193 Cb 1.61 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 1btj h LYS 193 CO 0.19 0.79 0.45 0.00 -2.27 0.00 0.00 179.45 178.60 1btj n LEU 195 N -3.31 2.45 0.01 0.00 7.94 -0.83 -0.47 117.00 122.79 1btj n LEU 195 Ca 0.04 0.25 -0.11 0.00 -1.11 0.00 0.00 56.01 55.08 1btj n LEU 195 Cb 0.57 -1.06 -0.04 0.00 0.53 0.00 0.00 43.42 43.41 1btj n LEU 195 CO 0.20 0.71 0.66 0.50 -1.11 0.00 0.00 177.39 178.35 1btj h LYS 196 N -0.23 -0.38 0.00 1.96 3.64 -0.22 0.23 116.57 121.57 1btj h LYS 196 Ca -0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1btj h LYS 196 Cb 1.84 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1btj h LYS 196 CO -0.01 -0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 176.67 1btj n ASP 197 N -5.40 0.00 -1.69 4.20 8.00 0.40 -4.83 116.55 117.23 1btj n ASP 197 Ca -0.03 -0.04 -0.16 0.00 0.71 0.00 0.00 54.79 55.27 1btj n ASP 197 Cb 0.32 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1btj n ASP 197 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1btj n GLY 198 N -0.23 0.13 0.16 0.44 0.00 0.81 -4.84 105.19 101.66 1btj n GLY 198 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1btj n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btj h ALA 199 N 0.59 0.95 -2.20 4.61 0.00 -0.97 -3.46 119.26 118.78 1btj h ALA 199 Ca -0.37 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 53.62 1btj h ALA 199 Cb 1.23 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1btj h ALA 199 CO 0.45 0.64 -0.55 0.20 0.00 0.00 0.00 179.25 180.00 1btj s GLY 200 N -4.42 2.21 -0.19 0.00 0.00 -0.20 -4.88 107.32 99.84 1btj s GLY 200 Ca -0.00 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.06 1btj s GLY 200 CO 0.73 -1.65 0.06 1.22 0.00 0.00 0.00 173.10 173.46 1btj n ASP 201 N -1.05 1.72 -4.15 1.64 8.00 0.20 -4.71 116.55 118.21 1btj n ASP 201 Ca -0.00 0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.33 1btj n ASP 201 Cb 0.65 -0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 41.24 1btj n ASP 201 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1btj s VAL 202 N -2.53 1.12 -0.20 2.53 0.11 -0.68 -4.37 120.40 116.37 1btj s VAL 202 Ca -0.26 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 1btj s VAL 202 Cb 0.08 -1.02 0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1btj s VAL 202 CO 0.70 -0.01 -0.06 0.00 -3.33 0.00 0.00 175.10 172.40 1btj s ALA 203 N -0.88 1.75 -0.42 1.54 0.00 -0.35 -0.39 121.76 123.01 1btj s ALA 203 Ca 0.01 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 1btj s ALA 203 Cb -0.08 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.78 1btj s ALA 203 CO 0.01 -0.98 0.96 -0.06 0.00 0.00 0.00 175.76 175.69 1btj s PHE 204 N 1.50 2.98 0.31 0.00 0.08 -0.06 -1.96 117.98 120.83 1btj s PHE 204 Ca -0.02 0.63 -0.01 0.00 0.12 0.00 0.00 56.93 57.65 1btj s PHE 204 Cb -0.17 -3.88 -0.01 0.00 -0.57 0.00 0.00 43.02 38.38 1btj s PHE 204 CO -0.07 -0.99 0.38 0.14 -0.10 0.00 0.00 175.22 174.57 1btj s VAL 205 N 3.73 0.00 0.34 -0.44 -7.23 -1.08 -4.17 120.40 111.55 1btj s VAL 205 Ca 0.39 -1.74 -0.19 0.00 -1.81 0.00 0.00 61.98 58.64 1btj s VAL 205 Cb -0.11 -2.55 -0.10 0.00 0.56 0.00 0.00 36.38 34.19 1btj s VAL 205 CO 0.23 0.00 0.82 -1.59 -0.31 0.00 0.00 175.10 174.25 1btj s LYS 206 N -3.38 4.17 0.24 4.82 -2.85 -1.26 -0.20 119.74 121.27 1btj s LYS 206 Ca 0.34 0.90 -0.06 0.00 -1.00 0.00 0.00 55.97 56.14 1btj s LYS 206 Cb 0.01 -2.46 0.44 0.00 -2.06 0.00 0.00 37.83 33.76 1btj s LYS 206 CO 0.20 0.15 1.66 1.12 0.10 0.00 0.00 175.35 178.58 1btj h HIS 207 N 2.41 0.12 0.00 1.78 2.07 -0.81 -0.69 115.15 120.03 1btj h HIS 207 Ca -0.48 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 1btj h HIS 207 Cb 1.18 0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1btj h HIS 207 CO 0.62 -0.16 0.00 0.66 -3.07 0.00 0.00 177.93 175.98 1btj h SER 208 N 0.18 0.00 -0.29 3.10 4.64 -1.94 -3.32 113.55 115.93 1btj h SER 208 Ca 0.40 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.76 1btj h SER 208 Cb 0.70 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.72 1btj h SER 208 CO -0.57 0.00 -0.50 0.74 -0.87 0.00 0.00 176.83 175.64 1btj h THR 209 N 0.00 0.00 -0.88 2.95 2.02 -1.51 -0.34 112.91 115.15 1btj h THR 209 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1btj h THR 209 Cb 0.12 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.46 1btj h THR 209 CO 0.00 0.00 0.57 -0.29 0.37 0.00 0.00 175.52 176.17 1btj h ILE 210 N -0.41 0.87 0.00 3.11 2.10 -1.78 0.32 117.51 121.72 1btj h ILE 210 Ca 0.05 -0.25 -0.06 0.00 1.08 0.00 0.00 64.86 65.68 1btj h ILE 210 Cb 0.56 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.35 1btj h ILE 210 CO -0.49 0.13 -0.30 -0.26 -1.08 0.00 0.00 178.15 176.15 1btj h PHE 211 N 0.73 0.00 0.00 2.19 0.04 -1.48 -0.41 116.94 118.01 1btj h PHE 211 Ca 0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.21 1btj h PHE 211 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1btj h PHE 211 CO -0.00 0.30 -0.50 0.39 -0.60 0.00 0.00 178.31 177.90 1btj n GLU 212 N -3.73 0.23 -0.05 1.51 1.02 0.92 -4.15 120.64 116.39 1btj n GLU 212 Ca -0.01 0.08 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1btj n GLU 212 Cb 0.40 -1.66 0.04 0.00 -0.02 0.00 0.00 31.44 30.20 1btj n GLU 212 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1btj n ASN 213 N -2.00 2.20 -3.67 1.62 3.02 0.09 -4.94 115.26 111.59 1btj n ASN 213 Ca 0.04 -1.96 -0.09 0.00 -0.03 0.00 0.00 54.58 52.54 1btj n ASN 213 Cb 0.42 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1btj n ASN 213 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1btj s LEU 214 N -0.96 -0.43 0.04 3.41 1.43 -0.26 -5.03 118.68 116.87 1btj s LEU 214 Ca 0.06 1.03 0.23 0.00 -1.03 0.00 0.00 54.13 54.42 1btj s LEU 214 Cb 0.03 1.52 0.06 0.00 0.03 0.00 0.00 46.19 47.83 1btj s LEU 214 CO 0.04 -0.21 1.04 0.00 0.23 0.00 0.00 176.35 177.45 1btj n ALA 215 N 4.71 3.57 -3.41 4.21 0.00 -1.26 -4.49 120.51 123.84 1btj n ALA 215 Ca -0.17 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1btj n ALA 215 Cb 0.53 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.86 1btj n ALA 215 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1btj s ASN 216 N -3.72 2.55 0.27 0.00 0.01 -1.26 -5.02 114.94 107.77 1btj s ASN 216 Ca 0.05 -0.45 -0.06 0.00 -0.71 0.00 0.00 52.86 51.68 1btj s ASN 216 Cb 0.15 -1.16 0.49 0.00 0.41 0.00 0.00 41.25 41.14 1btj s ASN 216 CO 0.80 0.09 1.58 0.11 -1.51 0.00 0.00 177.10 178.17 1btj h LYS 217 N 6.97 0.01 -1.11 -0.60 1.79 -1.98 0.63 116.57 122.28 1btj h LYS 217 Ca -0.26 -0.00 0.32 0.00 -2.18 0.00 0.00 60.65 58.53 1btj h LYS 217 Cb 1.21 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1btj h LYS 217 CO 0.48 0.01 0.79 0.00 -1.08 0.00 0.00 179.45 179.65 1btj h ALA 218 N 1.92 2.97 0.08 3.86 0.00 -1.98 1.11 119.26 127.22 1btj h ALA 218 Ca 0.48 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.07 1btj h ALA 218 Cb 0.81 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1btj h ALA 218 CO -0.92 -1.30 -1.56 -0.44 0.00 0.00 0.00 179.25 175.03 1btj h ASP 219 N 0.04 0.28 0.08 0.00 3.32 -1.32 -3.31 116.42 115.51 1btj h ASP 219 Ca 0.54 -0.79 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1btj h ASP 219 Cb 2.07 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.53 1btj h ASP 219 CO -0.04 1.66 -0.04 0.03 -1.72 0.00 0.00 179.24 179.13 1btj h ARG 220 N -0.39 0.00 0.00 3.56 3.08 -0.62 0.44 114.38 120.45 1btj h ARG 220 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1btj h ARG 220 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.76 1btj h ARG 220 CO -0.01 0.04 0.00 -0.44 -1.07 0.00 0.00 179.97 178.48 1btj h ASP 221 N 0.00 0.00 0.76 7.04 5.19 0.11 -1.39 116.42 128.13 1btj h ASP 221 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1btj h ASP 221 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1btj h ASP 221 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1btj n GLN 222 N -2.90 0.20 -4.51 3.56 3.00 0.15 -4.85 117.38 112.03 1btj n GLN 222 Ca -0.01 0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.74 1btj n GLN 222 Cb 0.20 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.83 1btj n GLN 222 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1btj s TYR 223 N -2.79 2.41 0.17 1.08 2.02 -0.53 -1.82 117.35 117.89 1btj s TYR 223 Ca 0.20 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1btj s TYR 223 Cb 0.19 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1btj s TYR 223 CO 0.48 0.59 0.11 -1.21 -1.57 0.00 0.00 175.55 173.95 1btj s GLU 224 N -3.61 1.09 0.11 -0.62 2.02 -1.21 -4.22 118.70 112.27 1btj s GLU 224 Ca 0.32 -1.52 0.09 0.00 0.02 0.00 0.00 54.97 53.88 1btj s GLU 224 Cb 0.01 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1btj s GLU 224 CO 0.17 -0.34 -0.19 -0.51 0.02 0.00 0.00 175.26 174.41 1btj s LEU 225 N -3.10 2.66 -0.37 1.80 1.02 -0.38 -0.70 118.68 119.61 1btj s LEU 225 Ca 0.32 -0.55 -0.20 0.00 0.02 0.00 0.00 54.13 53.72 1btj s LEU 225 Cb 0.07 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.76 1btj s LEU 225 CO 0.07 0.19 0.60 -0.76 0.02 0.00 0.00 176.35 176.47 1btj s LEU 226 N -2.03 4.32 0.38 1.79 1.43 -0.49 -2.03 118.68 122.04 1btj s LEU 226 Ca 0.17 0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.06 1btj s LEU 226 Cb -0.11 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.30 1btj s LEU 226 CO 0.09 -0.58 0.96 0.00 0.23 0.00 0.00 176.35 177.04 1btj h LEU 228 N 2.56 0.00 -3.13 0.00 3.38 -1.85 -3.08 115.31 113.19 1btj h LEU 228 Ca -0.48 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1btj h LEU 228 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1btj h LEU 228 CO 0.63 0.00 0.17 -0.90 0.09 0.00 0.00 178.44 178.43 1btj n ASP 229 N -4.29 5.58 -3.93 -0.43 5.75 -1.26 -4.78 116.55 113.19 1btj n ASP 229 Ca 0.03 -2.65 -0.26 0.00 -0.01 0.00 0.00 54.79 51.90 1btj n ASP 229 Cb 0.35 -1.05 -0.01 0.00 -1.03 0.00 0.00 41.12 39.39 1btj n ASP 229 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1btj n ASN 230 N 0.94 -1.34 -4.24 -1.12 3.02 -1.17 -4.97 115.26 106.39 1btj n ASN 230 Ca 0.12 -0.94 -0.14 0.00 -0.03 0.00 0.00 54.58 53.59 1btj n ASN 230 Cb 0.55 -3.31 -0.10 0.00 -0.61 0.00 0.00 39.78 36.31 1btj n ASN 230 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1btj s THR 231 N -3.75 0.33 -0.04 3.41 2.01 -1.23 -4.90 115.64 111.48 1btj s THR 231 Ca 0.17 -1.98 0.02 0.00 0.31 0.00 0.00 61.69 60.20 1btj s THR 231 Cb -0.09 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 70.02 1btj s THR 231 CO 0.87 -0.15 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.46 1btj s ARG 232 N -4.06 0.90 0.27 4.92 0.52 -1.26 -1.22 118.95 119.03 1btj s ARG 232 Ca 0.34 -0.19 0.06 0.00 -0.52 0.00 0.00 55.73 55.42 1btj s ARG 232 Cb 0.07 -0.86 -0.06 0.00 0.52 0.00 0.00 34.95 34.63 1btj s ARG 232 CO 0.10 0.00 -0.06 0.15 0.02 0.00 0.00 175.30 175.51 1btj s LYS 233 N 0.59 1.53 0.69 3.54 1.02 -0.86 -4.93 119.74 121.31 1btj s LYS 233 Ca -0.09 -1.77 -0.16 0.00 0.02 0.00 0.00 55.97 53.97 1btj s LYS 233 Cb -0.12 -1.11 0.02 0.00 -0.52 0.00 0.00 37.83 36.10 1btj s LYS 233 CO 0.01 0.03 1.21 -2.14 -0.92 0.00 0.00 175.35 173.54 1btj s PRO 234 N -3.74 2.40 0.40 -1.68 0.02 -1.26 -1.25 135.00 129.90 1btj s PRO 234 Ca 0.29 1.79 0.19 0.00 0.02 0.00 0.00 61.00 63.29 1btj s PRO 234 Cb 0.04 -1.86 1.12 0.00 0.02 0.00 0.00 34.50 33.82 1btj s PRO 234 CO 0.11 -1.64 1.77 0.28 -0.33 0.00 0.00 177.00 177.19 1btj h VAL 235 N 0.06 0.52 0.00 3.83 2.07 -1.86 0.17 116.25 121.04 1btj h VAL 235 Ca -0.49 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1btj h VAL 235 Cb 1.30 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1btj h VAL 235 CO 0.51 0.07 0.00 0.44 0.02 0.00 0.00 177.57 178.61 1btj h ASP 236 N 0.37 0.00 -0.96 0.57 5.19 -1.94 -3.11 116.42 116.54 1btj h ASP 236 Ca 0.59 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.49 1btj h ASP 236 Cb 1.54 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.75 1btj h ASP 236 CO -0.29 0.00 0.63 -0.62 -3.12 0.00 0.00 179.24 175.84 1btj n GLU 237 N -2.59 2.27 -0.10 3.56 1.02 0.59 -4.64 120.64 120.74 1btj n GLU 237 Ca -0.00 -3.05 0.14 0.00 -0.02 0.00 0.00 57.16 54.23 1btj n GLU 237 Cb 0.17 -2.17 0.52 0.00 -0.02 0.00 0.00 31.44 29.94 1btj n GLU 237 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1btj h TYR 238 N 1.09 0.42 -0.63 -0.32 -0.00 -1.66 0.18 116.97 116.05 1btj h TYR 238 Ca 0.61 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 59.31 1btj h TYR 238 Cb 2.63 -0.13 -0.03 0.00 -0.00 0.00 0.00 36.73 39.19 1btj h TYR 238 CO 1.55 0.18 0.21 0.87 -0.00 0.00 0.00 178.16 180.98 1btj h LYS 239 N 0.38 0.94 -0.59 0.10 1.57 -1.91 -0.97 116.57 116.09 1btj h LYS 239 Ca 0.30 -0.17 -0.27 0.00 -1.87 0.00 0.00 60.65 58.64 1btj h LYS 239 Cb 0.67 -0.15 -0.16 0.00 0.08 0.00 0.00 32.23 32.67 1btj h LYS 239 CO -0.08 0.80 0.20 -0.40 -0.57 0.00 0.00 179.45 179.40 1btj n ASP 240 N -4.29 3.37 -2.78 0.86 5.75 0.01 -4.64 116.55 114.84 1btj n ASP 240 Ca 0.05 -3.56 -0.01 0.00 -0.01 0.00 0.00 54.79 51.26 1btj n ASP 240 Cb 0.20 -0.70 0.01 0.00 -1.03 0.00 0.00 41.12 39.60 1btj n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1btj s HIS 242 N 1.48 -0.35 0.22 0.00 -3.43 -0.81 -3.90 115.29 108.50 1btj s HIS 242 Ca 0.20 0.62 0.25 0.00 -0.80 0.00 0.00 55.06 55.32 1btj s HIS 242 Cb 0.06 0.19 1.07 0.00 -1.43 0.00 0.00 32.58 32.46 1btj s HIS 242 CO -0.11 -0.43 1.89 -0.07 -2.00 0.00 0.00 174.74 174.02 1btj h LEU 243 N 3.84 0.00 -7.20 5.38 3.38 -1.46 -3.41 115.31 115.84 1btj h LEU 243 Ca -0.29 0.00 0.28 0.00 0.09 0.00 0.00 57.88 57.96 1btj h LEU 243 Cb 1.17 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 1btj h LEU 243 CO 0.37 0.20 0.76 0.00 0.09 0.00 0.00 178.44 179.87 1btj s ALA 244 N -3.80 -2.10 -0.15 1.53 0.00 -1.24 -4.70 121.76 111.31 1btj s ALA 244 Ca -0.00 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1btj s ALA 244 Cb 0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1btj s ALA 244 CO 0.62 -0.90 -0.17 1.14 0.00 0.00 0.00 175.76 176.46 1btj s GLN 245 N -2.56 3.17 -0.09 0.00 -2.07 -1.26 -2.96 119.66 113.88 1btj s GLN 245 Ca 0.12 -0.77 0.01 0.00 -1.82 0.00 0.00 55.36 52.89 1btj s GLN 245 Cb 0.02 -2.58 0.02 0.00 -1.09 0.00 0.00 33.01 29.38 1btj s GLN 245 CO -0.04 0.00 -0.10 0.08 -1.32 0.00 0.00 175.29 173.92 1btj s VAL 246 N 0.83 1.11 0.14 3.63 1.01 -1.03 -4.67 120.40 121.42 1btj s VAL 246 Ca -0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1btj s VAL 246 Cb -0.15 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 1btj s VAL 246 CO -0.01 0.37 1.04 -2.84 0.00 0.00 0.00 175.10 173.66 1btj s PRO 247 N 1.21 4.64 0.00 2.72 0.02 -1.26 0.44 135.00 142.77 1btj s PRO 247 Ca -0.04 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1btj s PRO 247 Cb -0.14 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1btj s PRO 247 CO -0.03 0.13 0.92 -1.13 -0.33 0.00 0.00 177.00 176.56 1btj n SER 248 N 2.60 0.00 -4.03 2.53 3.41 -0.38 -3.61 113.62 114.15 1btj n SER 248 Ca 0.03 0.92 -0.17 0.00 -0.26 0.00 0.00 58.87 59.39 1btj n SER 248 Cb 0.47 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 1btj n SER 248 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1btj s HIS 249 N -2.67 0.73 -0.03 7.33 2.46 -1.26 -3.82 115.29 118.02 1btj s HIS 249 Ca 0.00 -0.23 -0.01 0.00 0.47 0.00 0.00 55.06 55.30 1btj s HIS 249 Cb 0.00 -0.45 0.03 0.00 -0.13 0.00 0.00 32.58 32.03 1btj s HIS 249 CO 0.00 -0.02 0.04 0.99 -2.47 0.00 0.00 174.74 173.28 1btj s THR 250 N -0.49 -0.07 0.14 0.89 2.01 -0.24 -2.75 115.64 115.12 1btj s THR 250 Ca 0.00 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1btj s THR 250 Cb -0.05 -0.10 -0.07 0.00 0.01 0.00 0.00 72.50 72.30 1btj s THR 250 CO 0.00 0.11 1.04 -0.69 -0.69 0.00 0.00 174.62 174.39 1btj s VAL 251 N 1.34 4.18 0.44 3.82 1.01 0.11 -1.02 120.40 130.28 1btj s VAL 251 Ca -0.06 1.82 0.05 0.00 0.00 0.00 0.00 61.98 63.80 1btj s VAL 251 Cb -0.13 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1btj s VAL 251 CO -0.03 0.28 0.02 0.68 0.00 0.00 0.00 175.10 176.05 1btj s VAL 252 N -0.02 1.75 0.29 2.92 -7.23 -0.52 -1.31 120.40 116.27 1btj s VAL 252 Ca 0.49 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.48 1btj s VAL 252 Cb -0.26 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1btj s VAL 252 CO 0.32 0.00 0.73 0.00 -0.31 0.00 0.00 175.10 175.84 1btj s ALA 253 N -2.76 -1.17 0.71 1.32 0.00 -1.03 -3.81 121.76 115.03 1btj s ALA 253 Ca 0.26 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 1btj s ALA 253 Cb 0.07 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.05 1btj s ALA 253 CO 0.14 -1.03 1.22 1.03 0.00 0.00 0.00 175.76 177.11 1btj s ARG 254 N -3.73 2.22 0.00 0.00 0.52 -1.26 -1.24 118.95 115.46 1btj s ARG 254 Ca 0.12 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.13 1btj s ARG 254 Cb -0.06 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.57 1btj s ARG 254 CO 0.07 -1.79 0.45 0.43 0.02 0.00 0.00 175.30 174.49 1btj n SER 255 N -2.57 0.00 -4.73 0.23 7.64 -1.15 -2.96 113.62 110.09 1btj n SER 255 Ca 0.14 0.64 -0.41 0.00 1.01 0.00 0.00 58.87 60.24 1btj n SER 255 Cb 0.50 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1btj n SER 255 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1btj s MET 256 N -1.66 4.61 0.00 1.43 1.00 -1.26 -3.45 119.30 119.97 1btj s MET 256 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 55.69 57.26 1btj s MET 256 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 34.83 31.48 1btj s MET 256 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 175.02 175.50 1btj n GLY 257 N 2.41 2.52 4.32 -0.03 0.00 -1.26 -4.95 105.19 108.19 1btj n GLY 257 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1btj n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1btj n GLY 258 N 0.00 0.00 1.73 -0.02 0.00 -1.15 -4.63 105.19 101.12 1btj n GLY 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1btj n GLY 258 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1btj n LYS 259 N 0.00 0.00 -0.33 1.61 5.02 -1.26 -4.14 118.16 119.06 1btj n LYS 259 Ca 0.00 0.13 0.21 0.00 -2.02 0.00 0.00 58.31 56.63 1btj n LYS 259 Cb 0.00 -2.85 0.40 0.00 -0.02 0.00 0.00 35.03 32.55 1btj n LYS 259 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1btj h GLU 260 N 0.98 0.01 -0.53 1.97 9.09 -1.92 0.24 114.58 124.43 1btj h GLU 260 Ca 0.00 -0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.51 1btj h GLU 260 Cb 0.00 -0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.02 1btj h GLU 260 CO 0.00 0.01 0.08 0.38 0.05 0.00 0.00 179.01 179.52 1btj h ASP 261 N 0.01 -0.07 0.04 3.06 3.04 -1.95 -1.65 116.42 118.90 1btj h ASP 261 Ca 0.69 0.11 -0.06 0.00 -3.24 0.00 0.00 57.03 54.52 1btj h ASP 261 Cb 1.58 0.16 0.01 0.00 -1.04 0.00 0.00 39.33 40.04 1btj h ASP 261 CO -0.87 -0.01 -0.27 0.25 -2.04 0.00 0.00 179.24 176.30 1btj h LEU 262 N 0.20 0.17 -0.01 0.15 5.85 -1.00 -3.13 115.31 117.53 1btj h LEU 262 Ca 0.27 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 58.07 1btj h LEU 262 Cb 0.39 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1btj h LEU 262 CO -0.38 1.09 -0.38 0.40 -0.34 0.00 0.00 178.44 178.83 1btj h ILE 263 N -0.72 0.00 -1.02 4.05 2.04 -1.08 0.36 117.51 121.15 1btj h ILE 263 Ca -0.05 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.06 1btj h ILE 263 Cb 1.17 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.14 1btj h ILE 263 CO 0.05 0.00 0.62 -0.25 0.00 0.00 0.00 178.15 178.57 1btj h TRP 264 N -0.47 0.90 0.56 1.37 -0.00 -1.46 -0.19 115.95 116.66 1btj h TRP 264 Ca 0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1btj h TRP 264 Cb 0.51 -0.26 0.01 0.00 -0.00 0.00 0.00 29.16 29.41 1btj h TRP 264 CO -0.48 0.09 -0.27 1.49 -0.00 0.00 0.00 178.44 179.26 1btj h GLU 265 N 0.54 -0.73 -1.01 2.65 4.81 -1.12 -1.33 114.58 118.39 1btj h GLU 265 Ca 0.62 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 60.03 1btj h GLU 265 Cb 1.28 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.73 1btj h GLU 265 CO -0.40 -0.43 0.63 1.25 -0.73 0.00 0.00 179.01 179.33 1btj h LEU 266 N -0.92 0.91 0.54 1.64 5.85 0.10 -1.51 115.31 121.91 1btj h LEU 266 Ca -0.08 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1btj h LEU 266 Cb 0.64 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1btj h LEU 266 CO 0.13 0.45 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.35 1btj h LEU 267 N 0.95 -0.61 -1.16 2.25 3.38 -0.92 -1.29 115.31 117.91 1btj h LEU 267 Ca 0.52 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.65 1btj h LEU 267 Cb 0.57 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1btj h LEU 267 CO -0.29 -0.29 0.60 -1.13 0.09 0.00 0.00 178.44 177.42 1btj h ASN 268 N -1.01 0.75 -0.60 -0.43 -1.24 -1.14 0.43 115.58 112.34 1btj h ASN 268 Ca -0.07 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 56.93 1btj h ASN 268 Cb 0.55 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 1btj h ASN 268 CO 0.12 0.36 0.13 1.56 -1.29 0.00 0.00 177.43 178.31 1btj h GLN 269 N 0.78 0.98 -0.53 6.67 1.08 -1.31 -1.80 115.11 120.98 1btj h GLN 269 Ca 0.49 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.38 1btj h GLN 269 Cb 0.71 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1btj h GLN 269 CO -0.25 0.91 0.06 0.00 -0.95 0.00 0.00 178.83 178.59 1btj h ALA 270 N 1.03 1.10 -0.18 3.87 0.00 0.94 -1.40 119.26 124.62 1btj h ALA 270 Ca 0.19 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1btj h ALA 270 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1btj h ALA 270 CO 0.01 0.58 -0.54 -0.56 0.00 0.00 0.00 179.25 178.74 1btj h GLN 271 N 0.81 0.68 -0.50 0.00 3.07 -0.60 1.44 115.11 120.02 1btj h GLN 271 Ca 0.16 -0.49 0.07 0.00 0.09 0.00 0.00 58.65 58.48 1btj h GLN 271 Cb 0.41 0.08 -0.06 0.00 0.08 0.00 0.00 27.48 27.99 1btj h GLN 271 CO 0.01 1.11 0.18 0.93 0.09 0.00 0.00 178.83 181.16 1btj h GLU 272 N 0.38 0.35 0.00 0.06 5.08 -1.00 1.94 114.58 121.38 1btj h GLU 272 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1btj h GLU 272 Cb 1.16 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1btj h GLU 272 CO 0.12 0.23 -0.10 0.45 -1.00 0.00 0.00 179.01 178.70 1btj h HIS 273 N 0.36 0.00 -0.50 4.33 3.86 -1.27 -3.40 115.15 118.53 1btj h HIS 273 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1btj h HIS 273 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1btj h HIS 273 CO -0.16 0.32 0.00 1.19 0.86 0.00 0.00 177.93 180.14 1btj n PHE 274 N -4.71 1.23 0.00 2.45 3.01 0.49 -4.25 117.46 115.68 1btj n PHE 274 Ca -0.05 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.75 1btj n PHE 274 Cb 0.18 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1btj n PHE 274 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1btj n GLY 275 N 0.61 -1.86 3.55 1.37 0.00 0.66 -1.37 105.19 108.15 1btj n GLY 275 Ca 0.22 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1btj n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1btj s LYS 276 N 0.00 2.20 -1.11 1.61 -0.14 -1.26 -3.40 119.74 117.65 1btj s LYS 276 Ca 0.00 1.13 -0.01 0.00 -1.36 0.00 0.00 55.97 55.73 1btj s LYS 276 Cb 0.00 -4.56 0.00 0.00 -1.68 0.00 0.00 37.83 31.59 1btj s LYS 276 CO 0.00 -3.22 0.93 -0.25 -0.76 0.00 0.00 175.35 172.05 1btj n ASP 277 N 15.29 -2.40 -0.00 2.83 8.00 -1.26 -4.91 116.55 134.10 1btj n ASP 277 Ca 0.33 -0.56 0.09 0.00 0.71 0.00 0.00 54.79 55.36 1btj n ASP 277 Cb 0.53 -4.71 -0.11 0.00 -0.02 0.00 0.00 41.12 36.81 1btj n ASP 277 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1btj n LYS 278 N -3.92 0.89 -3.72 -1.24 4.76 -1.22 -5.02 118.16 108.69 1btj n LYS 278 Ca -0.24 -0.01 -0.02 0.00 -2.87 0.00 0.00 58.31 55.17 1btj n LYS 278 Cb 0.65 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 32.45 1btj n LYS 278 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1btj s SER 279 N -2.81 -0.13 -0.00 4.39 0.15 -1.26 -4.91 113.70 109.12 1btj s SER 279 Ca 0.06 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1btj s SER 279 Cb 0.14 0.38 -0.07 0.00 -1.71 0.00 0.00 66.02 64.76 1btj s SER 279 CO 0.76 -0.70 0.16 0.29 1.20 0.00 0.00 173.24 174.95 1btj n LYS 280 N -0.49 2.81 -0.01 5.44 5.02 -1.26 -4.63 118.16 125.04 1btj n LYS 280 Ca -0.07 -0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1btj n LYS 280 Cb 0.61 -0.92 0.49 0.00 -0.02 0.00 0.00 35.03 35.19 1btj n LYS 280 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1btj n GLU 281 N -1.39 1.08 0.00 1.97 1.02 -1.26 -4.84 120.64 117.22 1btj n GLU 281 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1btj n GLU 281 Cb 0.10 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1btj n GLU 281 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1btj n PHE 282 N -0.64 0.00 -3.60 -0.32 7.35 -1.26 -5.11 117.46 113.88 1btj n PHE 282 Ca 0.13 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1btj n PHE 282 Cb 0.09 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.81 1btj n PHE 282 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1btj s GLN 283 N -2.00 0.25 0.50 -4.13 1.11 -1.26 -4.67 119.66 109.46 1btj s GLN 283 Ca 0.00 0.78 0.18 0.00 0.01 0.00 0.00 55.36 56.33 1btj s GLN 283 Cb 0.00 -0.06 1.23 0.00 -1.01 0.00 0.00 33.01 33.17 1btj s GLN 283 CO 0.00 -0.36 2.06 -0.07 0.01 0.00 0.00 175.29 176.93 1btj h LEU 284 N 8.23 0.11 -3.71 2.90 3.38 -1.47 -3.01 115.31 121.74 1btj h LEU 284 Ca -0.16 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.30 1btj h LEU 284 Cb 1.12 -0.02 -0.37 0.00 0.09 0.00 0.00 40.66 41.48 1btj h LEU 284 CO 0.16 0.07 -0.59 0.49 0.09 0.00 0.00 178.44 178.66 1btj n PHE 285 N -4.47 2.55 -3.64 1.13 3.72 -1.26 -4.68 117.46 110.81 1btj n PHE 285 Ca 0.04 -2.23 -0.07 0.00 -0.05 0.00 0.00 57.45 55.14 1btj n PHE 285 Cb 0.31 -0.46 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 1btj n PHE 285 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1btj s SER 286 N -3.35 -0.31 -0.10 4.37 1.04 -1.14 -4.21 113.70 110.01 1btj s SER 286 Ca 0.51 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 57.45 1btj s SER 286 Cb 0.42 0.59 0.03 0.00 0.10 0.00 0.00 66.02 67.16 1btj s SER 286 CO 0.03 -0.11 0.24 -0.55 0.98 0.00 0.00 173.24 173.83 1btj s SER 287 N 0.10 -0.26 0.06 7.02 0.15 -1.26 -4.29 113.70 115.22 1btj s SER 287 Ca 0.05 0.50 0.15 0.00 0.70 0.00 0.00 55.95 57.34 1btj s SER 287 Cb -0.05 0.47 0.63 0.00 -1.71 0.00 0.00 66.02 65.36 1btj s SER 287 CO -0.09 -0.11 1.46 -0.81 1.20 0.00 0.00 173.24 174.89 1btj n PRO 288 N 3.36 0.04 0.08 5.44 -0.04 -1.26 -2.42 135.00 140.20 1btj n PRO 288 Ca -0.17 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1btj n PRO 288 Cb 0.57 -1.58 0.46 0.00 -0.04 0.00 0.00 33.50 32.91 1btj n PRO 288 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1btj n HIS 289 N -1.66 0.68 0.00 0.54 8.25 -1.26 -4.97 115.22 116.80 1btj n HIS 289 Ca 0.03 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1btj n HIS 289 Cb 0.16 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1btj n HIS 289 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1btj n GLY 290 N 1.33 4.23 3.77 -1.41 0.00 -1.01 -4.87 105.19 107.22 1btj n GLY 290 Ca 0.06 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1btj n GLY 290 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1btj s LYS 291 N -2.71 4.32 -1.64 1.61 2.47 -1.26 -3.81 119.74 118.72 1btj s LYS 291 Ca 0.00 2.04 0.00 0.00 -1.56 0.00 0.00 55.97 56.45 1btj s LYS 291 Cb 0.00 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 1btj s LYS 291 CO 0.00 -0.15 0.00 -0.25 0.16 0.00 0.00 175.35 175.11 1btj n ASP 292 N 0.67 -5.01 -4.69 1.43 8.00 -1.26 -5.01 116.55 110.69 1btj n ASP 292 Ca 0.01 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 1btj n ASP 292 Cb 0.44 -4.04 -0.03 0.00 -0.02 0.00 0.00 41.12 37.46 1btj n ASP 292 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1btj s LEU 293 N -4.28 4.28 0.00 0.64 1.43 -1.25 -4.29 118.68 115.21 1btj s LEU 293 Ca 0.00 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 1btj s LEU 293 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1btj s LEU 293 CO 0.00 -0.62 0.00 0.18 0.23 0.00 0.00 176.35 176.14 1btj n LEU 294 N 5.33 0.00 -4.19 1.79 4.77 -1.26 -4.77 117.00 118.66 1btj n LEU 294 Ca 0.12 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 1btj n LEU 294 Cb 0.46 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1btj n LEU 294 CO 0.56 0.00 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.75 1btj s PHE 295 N 0.00 1.66 0.45 -1.77 0.08 -1.26 -4.63 117.98 112.52 1btj s PHE 295 Ca 0.00 -0.33 -0.25 0.00 0.12 0.00 0.00 56.93 56.47 1btj s PHE 295 Cb 0.00 -1.05 -0.08 0.00 -0.57 0.00 0.00 43.02 41.32 1btj s PHE 295 CO 0.00 -0.00 1.45 0.15 -0.10 0.00 0.00 175.22 176.72 1btj s LYS 296 N -0.62 3.67 0.00 0.44 1.02 -1.26 -4.63 119.74 118.35 1btj s LYS 296 Ca 0.07 2.46 0.20 0.00 0.02 0.00 0.00 55.97 58.72 1btj s LYS 296 Cb -0.07 -2.66 0.99 0.00 -0.52 0.00 0.00 37.83 35.57 1btj s LYS 296 CO -0.00 -0.84 1.63 -0.25 -0.92 0.00 0.00 175.35 174.97 1btj n ASP 297 N -0.20 0.00 0.10 2.83 8.00 -1.26 -2.07 116.55 123.94 1btj n ASP 297 Ca 0.05 0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.74 1btj n ASP 297 Cb 0.41 -0.32 0.08 0.00 -0.02 0.00 0.00 41.12 41.28 1btj n ASP 297 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1btj h SER 298 N 0.00 0.00 -3.71 -2.24 4.64 -1.91 -3.48 113.55 106.86 1btj h SER 298 Ca 0.00 -0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.70 1btj h SER 298 Cb 0.21 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.39 1btj h SER 298 CO 0.00 0.04 0.79 0.00 -0.87 0.00 0.00 176.83 176.79 1btj s ALA 299 N -3.27 3.61 -0.07 5.18 0.00 -0.88 -4.67 121.76 121.66 1btj s ALA 299 Ca 0.03 1.50 0.21 0.00 0.00 0.00 0.00 51.96 53.70 1btj s ALA 299 Cb 0.11 -3.60 -0.32 0.00 0.00 0.00 0.00 23.12 19.31 1btj s ALA 299 CO 0.75 -0.94 0.39 0.72 0.00 0.00 0.00 175.76 176.68 1btj n HIS 300 N 1.17 0.00 -1.54 0.00 8.25 0.91 -4.90 115.22 119.10 1btj n HIS 300 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1btj n HIS 300 Cb 0.39 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.90 1btj n HIS 300 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1btj n GLY 301 N 1.37 -0.61 3.23 -1.41 0.00 -1.23 -4.32 105.19 102.22 1btj n GLY 301 Ca -0.10 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1btj n GLY 301 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1btj s PHE 302 N -3.55 1.65 -0.15 1.61 0.08 -1.26 -1.71 117.98 114.64 1btj s PHE 302 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1btj s PHE 302 Cb 0.00 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 1btj s PHE 302 CO 0.00 0.11 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.62 1btj s LEU 303 N -1.39 1.65 0.26 -0.37 2.01 -0.07 -4.89 118.68 115.88 1btj s LEU 303 Ca 0.05 -0.56 -0.30 0.00 0.01 0.00 0.00 54.13 53.34 1btj s LEU 303 Cb -0.09 -1.04 -0.11 0.00 0.01 0.00 0.00 46.19 44.96 1btj s LEU 303 CO 0.02 -0.12 1.56 -0.75 1.01 0.00 0.00 176.35 178.07 1btj s LYS 304 N 1.56 4.17 0.34 1.70 2.20 -1.26 0.38 119.74 128.83 1btj s LYS 304 Ca 0.03 2.48 -0.02 0.00 -0.36 0.00 0.00 55.97 58.10 1btj s LYS 304 Cb -0.14 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1btj s LYS 304 CO -0.09 -0.58 0.58 0.14 -0.36 0.00 0.00 175.35 175.04 1btj s VAL 305 N 0.21 5.05 -0.33 4.02 -7.23 -0.86 -4.81 120.40 116.45 1btj s VAL 305 Ca 0.64 -0.16 -0.40 0.00 -1.81 0.00 0.00 61.98 60.25 1btj s VAL 305 Cb -0.46 -3.81 -0.18 0.00 0.56 0.00 0.00 36.38 32.50 1btj s VAL 305 CO 0.44 -0.50 1.29 -2.65 -0.31 0.00 0.00 175.10 173.37 1btj n PRO 306 N -1.49 0.00 -1.61 4.82 -0.02 -1.26 -4.79 135.00 130.66 1btj n PRO 306 Ca -0.03 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 60.97 1btj n PRO 306 Cb 0.55 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 1btj n PRO 306 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1btj n PRO 307 N 2.95 1.47 -3.52 0.52 -0.02 -1.26 -3.29 135.00 131.86 1btj n PRO 307 Ca 0.25 0.53 -0.26 0.00 -2.02 0.00 0.00 63.50 62.00 1btj n PRO 307 Cb -0.02 -2.14 0.01 0.00 -0.02 0.00 0.00 33.50 31.33 1btj n PRO 307 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1btj n ARG 308 N 2.30 -1.46 -3.87 -0.52 1.74 -1.26 -5.01 116.66 108.59 1btj n ARG 308 Ca 0.16 0.82 -0.25 0.00 -0.77 0.00 0.00 57.85 57.81 1btj n ARG 308 Cb 0.25 -1.88 -0.17 0.00 -1.02 0.00 0.00 32.46 29.64 1btj n ARG 308 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1btj s MET 309 N -3.88 1.09 0.37 5.56 -2.45 -1.21 -5.15 119.30 113.63 1btj s MET 309 Ca 0.10 -0.09 -0.04 0.00 -1.25 0.00 0.00 55.69 54.41 1btj s MET 309 Cb -0.01 -1.27 -0.04 0.00 1.25 0.00 0.00 34.83 34.75 1btj s MET 309 CO 0.78 -0.27 0.64 0.16 1.05 0.00 0.00 175.02 177.39 1btj s ASP 310 N 1.77 6.37 0.28 1.11 1.47 -1.26 -4.38 116.67 122.03 1btj s ASP 310 Ca 0.04 0.76 0.06 0.00 1.18 0.00 0.00 52.55 54.58 1btj s ASP 310 Cb -0.13 -2.17 0.78 0.00 -0.34 0.00 0.00 42.92 41.07 1btj s ASP 310 CO -0.06 -0.35 1.35 0.00 0.68 0.00 0.00 175.17 176.79 1btj n ALA 311 N -1.55 0.55 -0.02 2.11 0.00 -1.26 -0.60 120.51 119.73 1btj n ALA 311 Ca -0.01 0.91 -0.09 0.00 0.00 0.00 0.00 53.44 54.24 1btj n ALA 311 Cb 0.55 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1btj n ALA 311 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1btj h LYS 312 N 0.00 -0.01 -0.31 0.00 1.57 -1.95 0.70 116.57 116.57 1btj h LYS 312 Ca 0.57 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.25 1btj h LYS 312 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1btj h LYS 312 CO -0.77 -0.01 -0.26 0.00 -0.57 0.00 0.00 179.45 177.84 1btj h MET 313 N -0.01 0.61 -0.19 3.15 -0.00 -1.23 -0.27 114.93 116.98 1btj h MET 313 Ca 0.08 -0.24 -0.02 0.00 -0.00 0.00 0.00 59.70 59.52 1btj h MET 313 Cb 0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1btj h MET 313 CO -0.17 0.81 0.06 -0.92 -0.00 0.00 0.00 176.91 176.69 1btj h TYR 314 N 0.53 0.30 0.31 -0.10 5.03 -0.03 -3.30 116.97 119.71 1btj h TYR 314 Ca 0.07 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1btj h TYR 314 Cb 0.72 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1btj h TYR 314 CO 0.03 0.39 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.05 1btj h LEU 315 N 0.12 -0.35 0.00 2.82 4.07 0.42 -3.47 115.31 118.93 1btj h LEU 315 Ca 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1btj h LEU 315 Cb 0.23 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1btj h LEU 315 CO -0.00 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.09 1btj n GLY 316 N 0.59 3.93 0.45 0.83 0.00 -0.12 -4.33 105.19 106.53 1btj n GLY 316 Ca -0.06 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1btj n GLY 316 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1btj h TYR 317 N 0.00 -1.68 -0.35 1.61 3.20 -1.89 -1.70 116.97 116.17 1btj h TYR 317 Ca 0.00 0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1btj h TYR 317 Cb 0.00 0.79 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 1btj h TYR 317 CO 0.00 -0.48 -0.37 0.93 -1.64 0.00 0.00 178.16 176.60 1btj h GLU 318 N -0.36 -0.20 -0.72 1.82 3.07 -1.91 0.65 114.58 116.93 1btj h GLU 318 Ca 0.09 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.06 1btj h GLU 318 Cb 0.58 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.46 1btj h GLU 318 CO -0.63 -0.13 0.36 -0.92 -1.40 0.00 0.00 179.01 176.29 1btj h TYR 319 N -0.20 0.64 -0.42 4.33 3.20 -1.76 -0.45 116.97 122.31 1btj h TYR 319 Ca 0.06 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1btj h TYR 319 Cb 0.36 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1btj h TYR 319 CO -0.75 0.23 0.03 0.28 -1.64 0.00 0.00 178.16 176.31 1btj h VAL 320 N 0.61 1.25 -0.10 1.81 2.07 -0.67 0.13 116.25 121.36 1btj h VAL 320 Ca 0.35 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1btj h VAL 320 Cb 0.38 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1btj h VAL 320 CO -0.27 0.33 -0.19 0.74 0.02 0.00 0.00 177.57 178.20 1btj h THR 321 N 0.56 0.53 0.60 2.57 2.02 -0.26 -0.19 112.91 118.74 1btj h THR 321 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1btj h THR 321 Cb 0.44 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1btj h THR 321 CO 0.02 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.53 1btj h ALA 322 N 0.74 -1.18 -0.88 6.16 0.00 -0.92 -0.28 119.26 122.89 1btj h ALA 322 Ca 0.09 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1btj h ALA 322 Cb 0.38 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1btj h ALA 322 CO -0.25 -1.15 0.57 0.97 0.00 0.00 0.00 179.25 179.40 1btj h ILE 323 N -0.91 0.81 0.64 0.00 2.10 -0.72 0.21 117.51 119.64 1btj h ILE 323 Ca -0.08 -0.22 -0.03 0.00 1.08 0.00 0.00 64.86 65.61 1btj h ILE 323 Cb 0.73 0.12 0.01 0.00 -1.09 0.00 0.00 36.82 36.59 1btj h ILE 323 CO 0.08 0.12 -0.31 0.03 -1.08 0.00 0.00 178.15 176.98 1btj h ARG 324 N 0.63 -0.83 0.16 2.19 3.08 -0.81 -0.37 114.38 118.42 1btj h ARG 324 Ca 0.45 0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.57 1btj h ARG 324 Cb 0.79 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.99 1btj h ARG 324 CO -0.20 -0.52 -0.49 -0.91 -1.07 0.00 0.00 179.97 176.78 1btj h ASN 325 N -1.02 -1.45 -0.89 7.04 -0.26 -0.22 0.48 115.58 119.26 1btj h ASN 325 Ca -0.09 0.15 0.23 0.00 -0.56 0.00 0.00 56.30 56.03 1btj h ASN 325 Cb 0.70 0.54 -0.13 0.00 -1.06 0.00 0.00 38.32 38.37 1btj h ASN 325 CO 0.15 -0.55 0.36 -0.07 -1.06 0.00 0.00 177.43 176.26 1btj h LEU 326 N -0.75 0.26 0.00 1.61 3.38 -0.58 0.91 115.31 120.14 1btj h LEU 326 Ca -0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1btj h LEU 326 Cb 0.75 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1btj h LEU 326 CO -0.25 -0.04 -0.00 0.03 0.09 0.00 0.00 178.44 178.26 1btj h ARG 327 N 0.35 0.00 0.00 1.13 3.08 0.05 -3.36 114.38 115.63 1btj h ARG 327 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1btj h ARG 327 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1btj h ARG 327 CO -0.56 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.27 1btj h GLU 328 N -0.11 0.00 -3.72 0.04 5.08 -0.13 -3.47 114.58 112.27 1btj h GLU 328 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1btj h GLU 328 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1btj h GLU 328 CO 0.00 0.00 -0.21 0.41 -1.00 0.00 0.00 179.01 178.21 1btj n GLY 329 N -0.17 -0.27 3.10 -3.84 0.00 0.32 -4.94 105.19 99.38 1btj n GLY 329 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1btj n GLY 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1btj s THR 330 N -2.31 2.56 -0.44 2.61 -4.23 -1.26 -5.05 115.64 107.52 1btj s THR 330 Ca 0.00 -1.72 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 1btj s THR 330 Cb 0.00 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1btj s THR 330 CO 0.00 -0.21 1.38 0.00 -0.54 0.00 0.00 174.62 175.24 1btj n PRO 332 N 8.12 -2.10 -2.41 0.00 -0.04 -1.26 -5.00 135.00 132.31 1btj n PRO 332 Ca 0.16 -0.58 -0.26 0.00 -0.04 0.00 0.00 63.50 62.77 1btj n PRO 332 Cb 0.48 -2.10 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1btj n PRO 332 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1btj s GLU 333 N -4.23 2.89 0.01 0.54 4.04 -1.26 -5.11 118.70 115.58 1btj s GLU 333 Ca 0.66 -0.04 -0.11 0.00 0.04 0.00 0.00 54.97 55.52 1btj s GLU 333 Cb -0.23 -2.28 0.01 0.00 0.02 0.00 0.00 34.13 31.65 1btj s GLU 333 CO 0.65 -0.70 0.22 0.00 -1.84 0.00 0.00 175.26 173.58 1btj s ALA 334 N -2.98 -0.50 0.00 -0.84 0.00 -1.26 -5.11 121.76 111.07 1btj s ALA 334 Ca 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1btj s ALA 334 Cb -0.11 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1btj s ALA 334 CO 0.45 -0.29 0.00 -2.30 0.00 0.00 0.00 175.76 173.62 1btj n PRO 335 N 1.09 0.00 0.00 0.00 -0.01 -1.26 -5.36 135.00 129.46 1btj n PRO 335 Ca -0.21 0.00 0.15 0.00 -0.01 0.00 0.00 63.50 63.43 1btj n PRO 335 Cb 0.57 0.00 0.80 0.00 -0.01 0.00 0.00 33.50 34.86 1btj n PRO 335 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 175.50 173.12