#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhj n ASP 2 N 0.00 0.23 0.00 4.52 9.92 -1.26 -5.18 116.55 124.78 1bhj n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1bhj n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bhj n ASP 2 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1bhj n SER 3 N 0.00 0.00 -2.77 -2.24 2.88 -1.26 -5.09 113.62 105.14 1bhj n SER 3 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1bhj n SER 3 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1bhj n SER 3 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1bhj n VAL 4 N -0.29 -0.01 -1.63 2.46 0.24 -1.26 -5.13 118.33 112.70 1bhj n VAL 4 Ca 0.00 -1.79 -0.52 0.00 -2.04 0.00 0.00 64.34 59.99 1bhj n VAL 4 Cb 0.00 1.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 1bhj n VAL 4 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1bhj n TYR 5 N 0.29 2.06 -4.16 6.34 4.01 -1.26 -4.97 117.16 119.47 1bhj n TYR 5 Ca 0.07 0.23 -0.36 0.00 -0.16 0.00 0.00 57.90 57.68 1bhj n TYR 5 Cb 0.71 -2.57 -0.08 0.00 -0.31 0.00 0.00 39.34 37.08 1bhj n TYR 5 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1bhj s ARG 6 N 4.54 3.20 0.12 -0.72 1.04 -1.26 -5.05 118.95 120.82 1bhj s ARG 6 Ca 0.99 -0.29 -0.28 0.00 -1.04 0.00 0.00 55.73 55.11 1bhj s ARG 6 Cb -0.84 -2.97 -0.08 0.00 -2.04 0.00 0.00 34.95 29.02 1bhj s ARG 6 CO 0.55 0.72 1.47 1.15 -0.04 0.00 0.00 175.30 179.15 1bhj h THR 7 N 4.11 0.00 -4.34 4.99 2.02 -2.08 -3.42 112.91 114.18 1bhj h THR 7 Ca -0.52 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 65.96 1bhj h THR 7 Cb 1.21 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.35 1bhj h THR 7 CO 0.56 0.00 -0.87 -0.60 0.37 0.00 0.00 175.52 174.99 1bhj s ARG 8 N -5.23 1.99 0.93 6.66 3.52 -1.26 -5.12 118.95 120.43 1bhj s ARG 8 Ca -0.12 -1.01 -0.10 0.00 -0.13 0.00 0.00 55.73 54.37 1bhj s ARG 8 Cb 0.08 -2.05 0.13 0.00 -1.56 0.00 0.00 34.95 31.55 1bhj s ARG 8 CO 0.53 0.54 1.02 0.45 -0.81 0.00 0.00 175.30 177.03 1bhj n SER 9 N 2.00 -0.08 -4.64 -2.12 2.88 -1.26 -4.92 113.62 105.48 1bhj n SER 9 Ca -0.17 0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 57.36 1bhj n SER 9 Cb 0.52 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.50 1bhj n SER 9 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1bhj s LEU 10 N -5.69 4.08 0.00 2.46 1.02 -1.26 -3.81 118.68 115.47 1bhj s LEU 10 Ca 0.65 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.83 1bhj s LEU 10 Cb -0.23 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 42.75 1bhj s LEU 10 CO 0.60 -0.56 0.00 0.61 0.02 0.00 0.00 176.35 177.02 1bhj n GLY 11 N 3.76 0.97 3.30 -3.19 0.00 -1.26 -5.10 105.19 103.67 1bhj n GLY 11 Ca 0.06 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1bhj n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bhj s VAL 12 N -2.00 1.74 0.31 1.61 -7.23 -1.25 -5.16 120.40 108.42 1bhj s VAL 12 Ca 0.00 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 1bhj s VAL 12 Cb 0.00 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.22 1bhj s VAL 12 CO 0.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 175.10 174.61 1bhj s ALA 13 N -1.51 2.44 -0.02 1.32 0.00 -1.26 -4.77 121.76 117.96 1bhj s ALA 13 Ca 0.10 -1.99 0.01 0.00 0.00 0.00 0.00 51.96 50.08 1bhj s ALA 13 Cb -0.08 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1bhj s ALA 13 CO 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 175.76 175.65 1bhj s ALA 14 N -3.05 0.37 0.46 0.00 0.00 -1.26 -5.13 121.76 113.15 1bhj s ALA 14 Ca 0.32 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 1bhj s ALA 14 Cb 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 1bhj s ALA 14 CO 0.14 -0.01 1.21 -1.83 0.00 0.00 0.00 175.76 175.27 1bhj s GLU 15 N 0.65 3.70 0.00 0.00 1.03 -1.26 -2.49 118.70 120.33 1bhj s GLU 15 Ca -0.07 1.90 0.00 0.00 0.03 0.00 0.00 54.97 56.83 1bhj s GLU 15 Cb -0.10 -2.44 0.00 0.00 -0.80 0.00 0.00 34.13 30.79 1bhj s GLU 15 CO -0.01 -0.64 0.00 0.41 -1.33 0.00 0.00 175.26 173.69 1bhj n GLY 16 N 0.53 3.19 3.20 -3.83 0.00 -1.26 -5.03 105.19 102.00 1bhj n GLY 16 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1bhj n GLY 16 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bhj s ILE 17 N -2.90 1.58 0.48 -0.61 -4.36 -1.04 -5.12 121.20 109.22 1bhj s ILE 17 Ca 0.00 -0.85 -0.23 0.00 -0.26 0.00 0.00 60.65 59.31 1bhj s ILE 17 Cb 0.00 -1.31 -0.08 0.00 1.25 0.00 0.00 42.46 42.32 1bhj s ILE 17 CO 0.00 0.45 1.21 -2.65 0.24 0.00 0.00 174.94 174.19 1bhj n PRO 18 N 2.66 1.65 -1.98 0.37 -0.02 -1.26 -4.52 135.00 131.89 1bhj n PRO 18 Ca -0.15 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1bhj n PRO 18 Cb 0.53 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1bhj n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bhj s ASP 19 N -0.75 6.59 0.00 2.55 1.01 -1.26 -4.92 116.67 119.89 1bhj s ASP 19 Ca 0.66 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.76 1bhj s ASP 19 Cb -0.48 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.79 1bhj s ASP 19 CO 0.54 -0.68 0.00 0.00 0.21 0.00 0.00 175.17 175.24 1bhj n GLN 20 N 0.73 0.00 -0.85 8.23 6.02 -1.26 -0.85 117.38 129.39 1bhj n GLN 20 Ca 0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.05 1bhj n GLN 20 Cb 0.41 0.00 0.36 0.00 1.02 0.00 0.00 30.24 32.03 1bhj n GLN 20 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bhj n TYR 21 N 0.00 1.98 0.12 1.08 4.02 -1.26 -4.54 117.16 118.56 1bhj n TYR 21 Ca 0.00 -0.73 0.19 0.00 -0.01 0.00 0.00 57.90 57.35 1bhj n TYR 21 Cb 0.00 -0.51 0.77 0.00 -0.02 0.00 0.00 39.34 39.58 1bhj n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bhj h ALA 22 N 3.71 2.07 -0.33 -0.72 0.00 -1.35 -2.54 119.26 120.09 1bhj h ALA 22 Ca 0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1bhj h ALA 22 Cb 1.92 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 19.53 1bhj h ALA 22 CO 0.49 -0.52 -0.68 -3.47 0.00 0.00 0.00 179.25 175.07 1bhj n ASP 23 N -3.87 3.02 -4.82 0.00 2.03 -1.26 -4.70 116.55 106.94 1bhj n ASP 23 Ca 0.06 -3.69 -0.32 0.00 0.52 0.00 0.00 54.79 51.36 1bhj n ASP 23 Cb 0.51 -0.44 0.03 0.00 -0.72 0.00 0.00 41.12 40.50 1bhj n ASP 23 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1bhj s GLY 24 N -3.36 1.82 0.57 0.27 0.00 -0.96 -4.84 107.32 100.83 1bhj s GLY 24 Ca 0.43 0.17 0.37 0.00 0.00 0.00 0.00 44.72 45.69 1bhj s GLY 24 CO -0.03 0.47 2.14 -2.09 0.00 0.00 0.00 173.10 173.59 1bhj h GLU 25 N -0.25 0.00 0.01 2.90 4.57 -1.96 -0.88 114.58 118.97 1bhj h GLU 25 Ca -0.45 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.44 1bhj h GLU 25 Cb 1.21 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.75 1bhj h GLU 25 CO 0.58 0.00 -1.68 0.00 -1.18 0.00 0.00 179.01 176.73 1bhj h ALA 26 N 1.94 0.72 -0.02 2.92 0.00 -1.91 -3.31 119.26 119.60 1bhj h ALA 26 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 54.91 53.31 1bhj h ALA 26 Cb 0.06 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1bhj h ALA 26 CO 0.00 1.54 -0.78 0.00 0.00 0.00 0.00 179.25 180.01 1bhj h ALA 27 N 0.94 0.64 -0.13 0.00 0.00 -1.49 -2.80 119.26 116.41 1bhj h ALA 27 Ca -0.27 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 53.97 1bhj h ALA 27 Cb 2.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1bhj h ALA 27 CO 0.08 0.85 0.07 0.00 0.00 0.00 0.00 179.25 180.26 1bhj h ARG 28 N 0.13 0.18 0.29 0.00 3.08 -1.39 -1.87 114.38 114.80 1bhj h ARG 28 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1bhj h ARG 28 Cb 1.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1bhj h ARG 28 CO 0.12 0.22 -0.14 0.28 -1.07 0.00 0.00 179.97 179.38 1bhj h VAL 29 N 0.10 0.73 -1.02 2.04 2.07 -1.64 -2.03 116.25 116.50 1bhj h VAL 29 Ca 0.05 -0.60 0.29 0.00 0.82 0.00 0.00 66.70 67.26 1bhj h VAL 29 Cb 0.09 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1bhj h VAL 29 CO -0.01 0.12 0.73 -0.25 0.02 0.00 0.00 177.57 178.18 1bhj h TRP 30 N -0.72 0.06 0.20 1.57 7.01 -1.52 0.78 115.95 123.32 1bhj h TRP 30 Ca -0.04 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 1bhj h TRP 30 Cb 0.49 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1bhj h TRP 30 CO 0.02 0.01 -0.09 1.96 -2.79 0.00 0.00 178.44 177.55 1bhj h GLN 31 N 0.04 -0.25 0.00 2.65 4.20 -1.08 0.10 115.11 120.76 1bhj h GLN 31 Ca 0.49 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1bhj h GLN 31 Cb 1.89 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.73 1bhj h GLN 31 CO -0.03 0.14 0.00 1.47 -0.67 0.00 0.00 178.83 179.74 1bhj n LEU 32 N -5.00 0.00 -0.10 1.46 -0.00 0.53 -2.30 117.00 111.59 1bhj n LEU 32 Ca -0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.75 1bhj n LEU 32 Cb 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.62 1bhj n LEU 32 CO 0.29 0.00 -0.85 0.00 -0.00 0.00 0.00 177.39 176.83 1bhj n TYR 33 N -0.75 0.33 0.30 1.47 9.36 0.24 -3.64 117.16 124.48 1bhj n TYR 33 Ca 0.11 0.14 0.03 0.00 3.32 0.00 0.00 57.90 61.50 1bhj n TYR 33 Cb 0.05 -0.80 0.16 0.00 -0.63 0.00 0.00 39.34 38.12 1bhj n TYR 33 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1bhj n ILE 34 N -4.42 0.85 0.02 2.97 -5.35 0.33 -0.82 119.36 112.95 1bhj n ILE 34 Ca -0.29 0.21 0.07 0.00 -0.27 0.00 0.00 62.75 62.47 1bhj n ILE 34 Cb 0.62 -1.11 -0.10 0.00 -1.74 0.00 0.00 39.64 37.31 1bhj n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bhj n GLY 35 N -0.74 -1.18 0.00 3.28 0.00 -0.97 -3.74 105.19 101.84 1bhj n GLY 35 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.73 1bhj n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bhj n ASP 36 N -2.55 0.00 -0.27 1.61 2.03 0.00 -2.99 116.55 114.39 1bhj n ASP 36 Ca -0.07 -0.17 0.02 0.00 0.52 0.00 0.00 54.79 55.10 1bhj n ASP 36 Cb 0.68 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.18 1bhj n ASP 36 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1bhj h THR 37 N 0.00 0.24 -2.76 5.18 2.02 -1.69 -3.40 112.91 112.50 1bhj h THR 37 Ca 0.00 -0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.58 1bhj h THR 37 Cb 0.00 0.23 -0.12 0.00 -1.74 0.00 0.00 68.15 66.52 1bhj h THR 37 CO 0.00 0.00 0.71 -0.13 0.37 0.00 0.00 175.52 176.47 1bhj s ARG 38 N -6.22 3.22 0.00 6.66 0.52 -1.16 -4.20 118.95 117.76 1bhj s ARG 38 Ca -0.14 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1bhj s ARG 38 Cb 0.22 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.54 1bhj s ARG 38 CO 0.75 -1.80 0.00 0.45 0.02 0.00 0.00 175.30 174.72 1bhj n SER 39 N 8.12 0.00 -4.00 0.23 2.88 -1.26 -5.03 113.62 114.57 1bhj n SER 39 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.18 1bhj n SER 39 Cb 0.47 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1bhj n SER 39 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bhj n ARG 40 N 0.00 0.00 -3.15 -1.46 0.63 -1.26 -2.39 116.66 109.02 1bhj n ARG 40 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1bhj n ARG 40 Cb 0.00 -0.95 -0.05 0.00 0.45 0.00 0.00 32.46 31.91 1bhj n ARG 40 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1bhj s THR 41 N -1.90 5.10 0.16 5.15 2.01 0.17 -4.71 115.64 121.62 1bhj s THR 41 Ca 0.51 1.24 -0.18 0.00 0.31 0.00 0.00 61.69 63.57 1bhj s THR 41 Cb -0.41 -3.95 0.07 0.00 0.01 0.00 0.00 72.50 68.22 1bhj s THR 41 CO 0.66 0.28 1.67 0.00 -0.69 0.00 0.00 174.62 176.53 1bhj h ALA 42 N 6.77 0.19 -0.86 7.40 0.00 -1.91 0.32 119.26 131.17 1bhj h ALA 42 Ca -0.41 0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.84 1bhj h ALA 42 Cb 1.19 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 1bhj h ALA 42 CO 0.76 -0.49 0.37 0.93 0.00 0.00 0.00 179.25 180.82 1bhj h GLU 43 N -0.04 0.41 -0.01 0.00 3.07 -1.94 0.52 114.58 116.60 1bhj h GLU 43 Ca 0.17 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1bhj h GLU 43 Cb 0.31 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1bhj h GLU 43 CO -0.39 0.27 -0.00 -0.92 -1.40 0.00 0.00 179.01 176.57 1bhj h TYR 44 N 0.42 0.02 0.21 4.33 3.20 -1.08 -1.39 116.97 122.68 1bhj h TYR 44 Ca 0.52 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.39 1bhj h TYR 44 Cb 0.92 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1bhj h TYR 44 CO -0.15 0.40 -0.31 -0.22 -1.64 0.00 0.00 178.16 176.25 1bhj h LYS 45 N -0.37 -0.56 0.00 1.82 3.64 0.16 -1.63 116.57 119.63 1bhj h LYS 45 Ca 0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1bhj h LYS 45 Cb 0.40 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1bhj h LYS 45 CO 0.00 -0.38 -0.12 0.00 -2.27 0.00 0.00 179.45 176.69 1bhj h ALA 46 N 0.03 1.64 0.00 5.00 0.00 -0.13 -2.60 119.26 123.20 1bhj h ALA 46 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bhj h ALA 46 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bhj h ALA 46 CO -0.13 0.15 -0.00 2.35 0.00 0.00 0.00 179.25 181.62 1bhj h TRP 47 N 0.00 -0.00 -0.13 0.00 7.01 -0.93 -2.96 115.95 118.94 1bhj h TRP 47 Ca -0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1bhj h TRP 47 Cb 0.23 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1bhj h TRP 47 CO 0.00 0.83 0.05 1.25 -2.79 0.00 0.00 178.44 177.78 1bhj h LEU 48 N -0.99 0.17 -0.20 0.65 5.85 -1.32 0.76 115.31 120.23 1bhj h LEU 48 Ca -0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1bhj h LEU 48 Cb 0.83 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1bhj h LEU 48 CO 0.00 0.27 0.11 -0.07 -0.34 0.00 0.00 178.44 178.41 1bhj h LEU 49 N 0.06 0.25 -0.79 2.25 -0.00 -1.65 0.38 115.31 115.81 1bhj h LEU 49 Ca 0.04 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 1bhj h LEU 49 Cb 0.15 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 1bhj h LEU 49 CO -0.00 0.27 0.29 1.23 -0.00 0.00 0.00 178.44 180.23 1bhj h GLY 50 N 0.22 1.28 0.94 0.83 0.00 -1.47 0.31 103.07 105.18 1bhj h GLY 50 Ca 0.07 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1bhj h GLY 50 CO -0.01 0.67 -0.05 -2.00 0.00 0.00 0.00 176.54 175.15 1bhj h LEU 51 N 1.15 0.69 0.12 3.11 5.85 -0.62 0.14 115.31 125.76 1bhj h LEU 51 Ca 0.26 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1bhj h LEU 51 Cb 0.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1bhj h LEU 51 CO -0.02 0.86 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.72 1bhj h LEU 52 N 0.50 -0.41 0.31 2.25 4.07 0.29 -3.11 115.31 119.20 1bhj h LEU 52 Ca 0.10 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1bhj h LEU 52 Cb 0.54 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1bhj h LEU 52 CO 0.03 -0.23 -0.15 0.03 -1.08 0.00 0.00 178.44 177.04 1bhj h ARG 53 N -0.32 -0.40 -1.23 1.13 3.08 -0.36 -3.09 114.38 113.19 1bhj h ARG 53 Ca 0.01 0.03 0.36 0.00 0.07 0.00 0.00 59.98 60.45 1bhj h ARG 53 Cb 0.32 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1bhj h ARG 53 CO -0.06 -0.11 1.25 0.94 -1.07 0.00 0.00 179.97 180.92 1bhj n GLN 54 N -5.16 0.01 -0.12 0.04 7.27 0.50 0.24 117.38 120.16 1bhj n GLN 54 Ca -0.10 1.01 0.05 0.00 0.07 0.00 0.00 57.00 58.03 1bhj n GLN 54 Cb 0.25 -2.48 0.11 0.00 2.41 0.00 0.00 30.24 30.53 1bhj n GLN 54 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1bhj n HIS 55 N -3.36 0.31 -3.77 3.69 8.25 -1.18 -5.00 115.22 114.15 1bhj n HIS 55 Ca 0.28 -0.39 -0.29 0.00 -0.26 0.00 0.00 57.72 57.05 1bhj n HIS 55 Cb 1.62 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 32.70 1bhj n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhj n GLY 56 N 0.39 -0.48 3.81 -1.41 0.00 0.65 -4.96 105.19 103.19 1bhj n GLY 56 Ca 0.09 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1bhj n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhj n HIS 58 N 2.52 0.00 -2.72 0.00 8.25 -1.26 -4.74 115.22 117.27 1bhj n HIS 58 Ca -0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 1bhj n HIS 58 Cb 0.53 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1bhj n HIS 58 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1bhj s ARG 59 N -2.12 3.25 -0.11 -0.41 3.52 -1.26 -0.93 118.95 120.89 1bhj s ARG 59 Ca -0.05 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 54.75 1bhj s ARG 59 Cb 0.02 -4.42 -0.04 0.00 -1.56 0.00 0.00 34.95 28.95 1bhj s ARG 59 CO 0.18 -1.98 0.09 0.08 -0.81 0.00 0.00 175.30 172.87 1bhj s VAL 60 N 4.62 5.10 -0.22 7.11 1.01 -0.92 -0.93 120.40 136.17 1bhj s VAL 60 Ca 0.31 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1bhj s VAL 60 Cb -0.10 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1bhj s VAL 60 CO 0.07 0.61 -0.12 -0.22 0.00 0.00 0.00 175.10 175.45 1bhj s LEU 61 N -0.97 2.79 -0.44 3.92 2.96 0.25 -2.07 118.68 125.11 1bhj s LEU 61 Ca 0.14 -0.82 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 1bhj s LEU 61 Cb -0.12 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 45.04 1bhj s LEU 61 CO 0.03 -0.08 0.34 -0.62 -1.32 0.00 0.00 176.35 174.70 1bhj s ASP 62 N 1.29 6.05 0.00 3.68 -1.08 -0.88 -0.26 116.67 125.48 1bhj s ASP 62 Ca 0.01 -1.19 0.17 0.00 -0.52 0.00 0.00 52.55 51.02 1bhj s ASP 62 Cb -0.16 -2.14 0.69 0.00 -1.46 0.00 0.00 42.92 39.85 1bhj s ASP 62 CO -0.08 -0.56 1.49 1.33 0.52 0.00 0.00 175.17 177.88 1bhj n VAL 63 N 5.15 0.20 -2.66 1.11 0.24 -0.93 -1.28 118.33 120.16 1bhj n VAL 63 Ca -0.12 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 61.83 1bhj n VAL 63 Cb 0.45 0.19 0.04 0.00 -1.47 0.00 0.00 33.84 33.04 1bhj n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bhj n ALA 64 N 0.08 3.34 -0.36 2.33 0.00 -1.19 -4.58 120.51 120.12 1bhj n ALA 64 Ca 0.14 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1bhj n ALA 64 Cb 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1bhj n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bhj n GLY 66 N -0.98 0.47 0.30 0.00 0.00 -1.26 -2.92 105.19 100.80 1bhj n GLY 66 Ca 0.00 -0.84 0.19 0.00 0.00 0.00 0.00 46.02 45.38 1bhj n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bhj h THR 67 N 0.00 0.02 0.00 2.61 1.35 -1.90 -3.28 112.91 111.71 1bhj h THR 67 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1bhj h THR 67 Cb 0.00 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1bhj h THR 67 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1bhj n GLY 68 N -0.40 1.13 0.15 5.82 0.00 -1.15 -2.31 105.19 108.43 1bhj n GLY 68 Ca -0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 1bhj n GLY 68 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bhj h VAL 69 N 0.00 1.28 -0.31 1.61 -1.51 -1.90 -1.21 116.25 114.21 1bhj h VAL 69 Ca 0.00 -2.66 -0.00 0.00 -1.23 0.00 0.00 66.70 62.81 1bhj h VAL 69 Cb 0.36 3.00 -0.01 0.00 -2.13 0.00 0.00 31.29 32.50 1bhj h VAL 69 CO 0.00 0.80 0.18 0.44 -1.23 0.00 0.00 177.57 177.76 1bhj h ASP 70 N 0.16 0.37 0.52 4.19 3.32 -1.95 -2.87 116.42 120.17 1bhj h ASP 70 Ca -0.25 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 1bhj h ASP 70 Cb 2.13 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.57 1bhj h ASP 70 CO 0.27 0.32 -0.55 0.28 -1.72 0.00 0.00 179.24 177.84 1bhj h SER 71 N 0.39 0.03 -0.22 6.45 0.02 -1.91 -2.94 113.55 115.37 1bhj h SER 71 Ca 0.11 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1bhj h SER 71 Cb 0.02 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1bhj h SER 71 CO -0.02 0.58 -0.14 0.40 -1.14 0.00 0.00 176.83 176.51 1bhj h ILE 72 N 0.02 1.25 0.00 3.27 2.04 -1.03 0.24 117.51 123.31 1bhj h ILE 72 Ca -0.00 -1.13 -0.13 0.00 1.00 0.00 0.00 64.86 64.60 1bhj h ILE 72 Cb 0.99 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1bhj h ILE 72 CO 0.07 0.38 -0.60 0.00 0.00 0.00 0.00 178.15 178.00 1bhj h MET 73 N 0.57 0.00 -0.08 2.37 -0.00 -1.44 -0.60 114.93 115.76 1bhj h MET 73 Ca 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.62 1bhj h MET 73 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.18 1bhj h MET 73 CO 0.04 0.60 -0.65 -0.07 -0.00 0.00 0.00 176.91 176.83 1bhj h LEU 74 N 0.00 0.71 -0.36 -0.10 3.38 -1.24 -0.73 115.31 116.97 1bhj h LEU 74 Ca -0.01 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.33 1bhj h LEU 74 Cb 1.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1bhj h LEU 74 CO 0.08 1.28 0.13 0.58 0.09 0.00 0.00 178.44 180.60 1bhj h VAL 75 N 0.20 0.91 -0.80 1.22 2.07 -0.30 -1.59 116.25 117.95 1bhj h VAL 75 Ca -0.06 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1bhj h VAL 75 Cb 1.31 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1bhj h VAL 75 CO 0.13 0.05 0.37 -0.33 0.02 0.00 0.00 177.57 177.82 1bhj h GLU 76 N 0.28 1.17 0.00 1.57 5.08 -1.09 -2.63 114.58 118.95 1bhj h GLU 76 Ca 0.16 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1bhj h GLU 76 Cb 0.13 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1bhj h GLU 76 CO -0.16 0.91 0.00 0.39 -1.00 0.00 0.00 179.01 179.15 1bhj n GLU 77 N -4.33 0.63 -0.55 2.33 -0.58 -0.29 -4.88 120.64 112.97 1bhj n GLU 77 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1bhj n GLU 77 Cb 0.15 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1bhj n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bhj n GLY 78 N 0.20 1.08 3.79 0.62 0.00 -0.91 -5.03 105.19 104.93 1bhj n GLY 78 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1bhj n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhj s PHE 79 N -3.24 2.78 -1.04 1.61 0.40 -1.05 -4.94 117.98 112.49 1bhj s PHE 79 Ca 0.00 1.31 -0.17 0.00 -0.60 0.00 0.00 56.93 57.47 1bhj s PHE 79 Cb 0.00 -3.05 0.14 0.00 0.51 0.00 0.00 43.02 40.62 1bhj s PHE 79 CO 0.00 -1.73 1.28 0.45 0.70 0.00 0.00 175.22 175.92 1bhj s SER 80 N -3.70 6.77 -0.14 1.36 0.15 -0.10 -4.65 113.70 113.39 1bhj s SER 80 Ca 0.60 -2.33 -0.21 0.00 0.70 0.00 0.00 55.95 54.71 1bhj s SER 80 Cb -0.15 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1bhj s SER 80 CO 0.55 -1.00 0.61 -0.69 1.20 0.00 0.00 173.24 173.92 1bhj s VAL 81 N 2.55 5.07 -0.21 4.45 1.01 -1.26 -2.18 120.40 129.84 1bhj s VAL 81 Ca 0.38 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1bhj s VAL 81 Cb -0.03 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1bhj s VAL 81 CO -0.06 0.20 -0.11 0.42 0.00 0.00 0.00 175.10 175.55 1bhj s THR 82 N 1.30 1.78 -0.15 3.92 -4.23 -0.88 -2.08 115.64 115.29 1bhj s THR 82 Ca 0.30 -1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1bhj s THR 82 Cb -0.16 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1bhj s THR 82 CO 0.12 0.16 0.07 -0.44 -0.54 0.00 0.00 174.62 174.00 1bhj s SER 83 N 1.33 5.75 0.03 3.99 0.01 0.48 -2.07 113.70 123.23 1bhj s SER 83 Ca -0.02 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1bhj s SER 83 Cb -0.17 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1bhj s SER 83 CO -0.08 0.27 -0.07 -0.69 0.41 0.00 0.00 173.24 173.09 1bhj s VAL 84 N -0.23 0.44 -0.03 3.43 1.01 -0.40 0.56 120.40 125.18 1bhj s VAL 84 Ca 0.08 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1bhj s VAL 84 Cb -0.12 -0.51 0.08 0.00 0.00 0.00 0.00 36.38 35.83 1bhj s VAL 84 CO 0.01 -0.37 0.72 -0.62 0.00 0.00 0.00 175.10 174.84 1bhj s ASP 85 N -1.45 -0.59 0.27 3.32 -1.08 -1.20 -1.22 116.67 114.72 1bhj s ASP 85 Ca -0.10 0.53 0.23 0.00 -0.52 0.00 0.00 52.55 52.69 1bhj s ASP 85 Cb -0.09 0.51 0.23 0.00 -1.46 0.00 0.00 42.92 42.10 1bhj s ASP 85 CO 0.00 -0.63 1.33 0.00 0.52 0.00 0.00 175.17 176.40 1bhj h ALA 86 N 2.74 0.72 -2.44 3.66 0.00 -1.67 -1.52 119.26 120.75 1bhj h ALA 86 Ca -0.27 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.00 1bhj h ALA 86 Cb 1.17 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1bhj h ALA 86 CO 0.37 0.00 -0.01 0.45 0.00 0.00 0.00 179.25 180.06 1bhj s SER 87 N -5.41 6.35 0.00 0.00 0.15 -1.26 -4.88 113.70 108.64 1bhj s SER 87 Ca 0.04 0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.98 1bhj s SER 87 Cb 0.09 -2.28 1.06 0.00 -1.71 0.00 0.00 66.02 63.18 1bhj s SER 87 CO 0.72 -0.48 1.78 0.47 1.20 0.00 0.00 173.24 176.94 1bhj n ASP 88 N 5.77 0.00 0.10 5.45 8.00 -1.26 -1.48 116.55 133.13 1bhj n ASP 88 Ca -0.04 0.44 -0.03 0.00 0.71 0.00 0.00 54.79 55.87 1bhj n ASP 88 Cb 0.49 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 1bhj n ASP 88 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1bhj h LYS 89 N 0.00 0.00 0.00 -1.24 3.64 -1.99 -3.18 116.57 113.80 1bhj h LYS 89 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1bhj h LYS 89 Cb 0.40 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1bhj h LYS 89 CO 0.00 0.79 -1.21 -0.12 -2.27 0.00 0.00 179.45 176.64 1bhj n MET 90 N -3.33 0.55 -0.35 1.90 1.56 -1.05 -4.29 117.12 112.11 1bhj n MET 90 Ca 0.01 0.54 0.24 0.00 -0.27 0.00 0.00 57.70 58.22 1bhj n MET 90 Cb 0.84 -1.72 0.49 0.00 2.15 0.00 0.00 33.22 34.98 1bhj n MET 90 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1bhj h LEU 91 N -1.00 0.50 -1.87 -0.89 5.85 -1.32 0.39 115.31 116.97 1bhj h LEU 91 Ca -0.31 0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.78 1bhj h LEU 91 Cb 1.18 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1bhj h LEU 91 CO -0.19 -0.01 0.68 0.50 -0.34 0.00 0.00 178.44 179.08 1bhj h LYS 92 N 0.38 0.00 0.00 1.25 3.64 -1.73 0.20 116.57 120.31 1bhj h LYS 92 Ca 0.68 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.92 1bhj h LYS 92 Cb 1.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 1bhj h LYS 92 CO -0.45 0.00 -0.87 1.88 -2.27 0.00 0.00 179.45 177.74 1bhj h TYR 93 N 0.00 0.00 0.05 1.91 0.05 -1.16 -2.77 116.97 115.06 1bhj h TYR 93 Ca 0.37 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.15 1bhj h TYR 93 Cb 1.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.47 1bhj h TYR 93 CO 0.00 0.61 -0.03 0.00 -1.05 0.00 0.00 178.16 177.69 1bhj h ALA 94 N 1.39 -0.07 -0.92 3.88 0.00 -0.20 -3.02 119.26 120.32 1bhj h ALA 94 Ca -0.06 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1bhj h ALA 94 Cb 1.51 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 1bhj h ALA 94 CO 0.07 -0.15 0.59 -0.07 0.00 0.00 0.00 179.25 179.69 1bhj h LEU 95 N -0.86 0.82 0.12 0.00 3.38 -1.49 0.72 115.31 118.01 1bhj h LEU 95 Ca -0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1bhj h LEU 95 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1bhj h LEU 95 CO 0.01 0.47 -0.14 0.50 0.09 0.00 0.00 178.44 179.38 1bhj h LYS 96 N 0.90 -0.29 -0.36 1.13 3.64 -1.55 0.49 116.57 120.54 1bhj h LYS 96 Ca 0.43 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1bhj h LYS 96 Cb 0.44 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1bhj h LYS 96 CO -0.19 -0.19 0.23 1.49 -2.27 0.00 0.00 179.45 178.51 1bhj h GLU 97 N -0.30 0.45 0.45 1.90 4.57 -1.17 -2.73 114.58 117.76 1bhj h GLU 97 Ca 0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1bhj h GLU 97 Cb 0.29 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1bhj h GLU 97 CO -0.05 0.30 -0.43 -0.09 -1.18 0.00 0.00 179.01 177.56 1bhj h ARG 98 N 0.47 -0.85 -0.92 1.92 2.43 -0.50 -2.36 114.38 114.57 1bhj h ARG 98 Ca 0.13 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.49 1bhj h ARG 98 Cb -0.04 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 29.56 1bhj h ARG 98 CO -0.04 -0.56 -0.40 1.87 -1.51 0.00 0.00 179.97 179.33 1bhj n TRP 99 N -5.06 -0.06 -0.10 2.20 -0.00 0.13 0.13 117.44 114.67 1bhj n TRP 99 Ca -0.10 1.13 -0.07 0.00 -0.00 0.00 0.00 57.50 58.46 1bhj n TRP 99 Cb 0.40 -0.79 -0.00 0.00 -0.00 0.00 0.00 31.31 30.92 1bhj n TRP 99 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1bhj h ASN 100 N 0.00 -0.85 -0.46 5.87 2.35 -1.16 -0.95 115.58 120.38 1bhj h ASN 100 Ca 0.28 0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 56.04 1bhj h ASN 100 Cb 0.51 0.42 -0.09 0.00 0.05 0.00 0.00 38.32 39.21 1bhj h ASN 100 CO -0.90 -0.28 0.20 0.54 -1.65 0.00 0.00 177.43 175.34 1bhj n ARG 101 N -5.40 2.45 0.23 0.81 1.74 0.12 -4.28 116.66 112.33 1bhj n ARG 101 Ca 0.01 -1.78 0.08 0.00 -0.77 0.00 0.00 57.85 55.39 1bhj n ARG 101 Cb 0.31 -1.81 0.54 0.00 -1.02 0.00 0.00 32.46 30.48 1bhj n ARG 101 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1bhj h ARG 102 N 1.39 0.00 0.00 5.56 0.11 0.88 -1.78 114.38 120.54 1bhj h ARG 102 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1bhj h ARG 102 Cb 1.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.82 1bhj h ARG 102 CO 0.47 0.23 0.00 0.87 0.10 0.00 0.00 179.97 181.64 1bhj h LYS 103 N 0.00 0.00 -5.60 0.08 1.79 -1.79 -3.35 116.57 107.71 1bhj h LYS 103 Ca -0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1bhj h LYS 103 Cb 0.49 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.03 1bhj h LYS 103 CO 0.03 0.00 0.25 -1.21 -1.08 0.00 0.00 179.45 177.44 1bhj s GLU 104 N -3.93 4.07 0.23 3.15 2.02 -0.67 -4.96 118.70 118.62 1bhj s GLU 104 Ca -0.02 0.58 -0.16 0.00 0.02 0.00 0.00 54.97 55.39 1bhj s GLU 104 Cb 0.11 -3.67 0.27 0.00 0.10 0.00 0.00 34.13 30.93 1bhj s GLU 104 CO 0.46 -0.50 1.56 -1.35 0.02 0.00 0.00 175.26 175.45 1bhj h PRO 105 N 7.94 -0.01 0.14 0.39 0.11 -1.85 0.38 132.00 139.09 1bhj h PRO 105 Ca -0.26 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.87 1bhj h PRO 105 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1bhj h PRO 105 CO 0.81 -0.01 -0.52 0.00 -0.21 0.00 0.00 178.00 178.07 1bhj h ALA 106 N 1.45 -0.99 -0.10 -0.75 0.00 -1.92 -0.43 119.26 116.52 1bhj h ALA 106 Ca 0.36 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1bhj h ALA 106 Cb 0.61 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1bhj h ALA 106 CO -0.97 -1.12 0.11 0.74 0.00 0.00 0.00 179.25 178.00 1bhj h PHE 107 N -0.76 0.00 -0.00 0.00 0.04 -1.36 0.19 116.94 115.04 1bhj h PHE 107 Ca -0.01 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 1bhj h PHE 107 Cb 0.76 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1bhj h PHE 107 CO -0.44 0.00 -0.83 0.22 -0.60 0.00 0.00 178.31 176.65 1bhj h ASP 108 N 0.00 0.17 0.05 2.17 3.58 0.50 -2.92 116.42 119.98 1bhj h ASP 108 Ca 0.05 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1bhj h ASP 108 Cb 0.27 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1bhj h ASP 108 CO -0.00 0.93 -0.01 0.29 -2.88 0.00 0.00 179.24 177.56 1bhj n LYS 109 N -3.65 1.17 -2.28 0.28 4.76 0.00 -4.85 118.16 113.59 1bhj n LYS 109 Ca -0.03 -0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 54.64 1bhj n LYS 109 Cb 0.78 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.45 1bhj n LYS 109 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1bhj s TRP 110 N -2.07 3.19 -0.38 2.13 -0.00 -0.89 -4.86 118.94 116.06 1bhj s TRP 110 Ca 0.42 1.04 -0.10 0.00 -0.00 0.00 0.00 56.10 57.45 1bhj s TRP 110 Cb 0.21 -3.58 0.04 0.00 -0.00 0.00 0.00 33.47 30.14 1bhj s TRP 110 CO 0.37 -2.01 0.20 0.08 -0.00 0.00 0.00 176.95 175.60 1bhj s VAL 111 N 1.50 4.36 -0.35 5.86 1.01 -0.88 -5.02 120.40 126.88 1bhj s VAL 111 Ca 0.62 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1bhj s VAL 111 Cb -0.32 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1bhj s VAL 111 CO 0.28 -0.29 0.13 -0.63 0.00 0.00 0.00 175.10 174.60 1bhj s ILE 112 N 1.50 3.86 0.38 2.22 1.01 -1.25 0.18 121.20 129.09 1bhj s ILE 112 Ca 0.01 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.49 1bhj s ILE 112 Cb -0.20 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1bhj s ILE 112 CO 0.05 -0.24 0.11 -0.62 0.00 0.00 0.00 174.94 174.24 1bhj n GLU 113 N 4.82 1.03 -5.10 2.79 -0.58 0.19 -4.97 120.64 118.82 1bhj n GLU 113 Ca -0.12 -2.61 -0.32 0.00 -0.42 0.00 0.00 57.16 53.69 1bhj n GLU 113 Cb 0.44 0.55 -0.15 0.00 -0.57 0.00 0.00 31.44 31.71 1bhj n GLU 113 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1bhj s GLU 114 N -3.44 2.47 -0.16 3.49 -6.30 -1.26 -3.27 118.70 110.22 1bhj s GLU 114 Ca 0.08 -0.82 -0.32 0.00 -2.50 0.00 0.00 54.97 51.42 1bhj s GLU 114 Cb -0.01 -2.24 0.14 0.00 0.00 0.00 0.00 34.13 32.02 1bhj s GLU 114 CO 0.05 0.51 1.12 0.00 0.02 0.00 0.00 175.26 176.96 1bhj s ALA 115 N -0.46 -2.00 -0.10 6.30 0.00 -0.57 -4.81 121.76 120.13 1bhj s ALA 115 Ca 0.05 1.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 1bhj s ALA 115 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1bhj s ALA 115 CO 0.01 -0.47 -0.09 1.21 0.00 0.00 0.00 175.76 176.42 1bhj s ASN 116 N -1.74 4.45 0.64 0.00 3.84 -1.26 -1.80 114.94 119.07 1bhj s ASN 116 Ca 0.05 -0.14 0.33 0.00 0.21 0.00 0.00 52.86 53.31 1bhj s ASN 116 Cb -0.01 -1.37 1.80 0.00 -0.55 0.00 0.00 41.25 41.12 1bhj s ASN 116 CO -0.04 0.27 2.07 -0.50 -2.79 0.00 0.00 177.10 176.10 1bhj h TRP 117 N 5.94 0.00 0.00 0.43 6.55 -1.91 1.38 115.95 128.34 1bhj h TRP 117 Ca -0.39 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.45 1bhj h TRP 117 Cb 1.18 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.48 1bhj h TRP 117 CO 0.53 0.00 -0.42 1.28 -1.05 0.00 0.00 178.44 178.78 1bhj n LEU 118 N -3.26 0.65 0.00 -4.49 4.77 -1.26 -3.85 117.00 109.56 1bhj n LEU 118 Ca -0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1bhj n LEU 118 Cb 0.33 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1bhj n LEU 118 CO 0.20 -0.06 0.16 0.35 -1.33 0.00 0.00 177.39 176.71 1bhj n THR 119 N -2.02 0.00 -0.30 -5.08 -2.24 0.49 -4.83 114.28 100.30 1bhj n THR 119 Ca 0.04 -0.32 0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1bhj n THR 119 Cb 0.42 1.36 0.35 0.00 -2.10 0.00 0.00 70.33 70.35 1bhj n THR 119 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bhj n LEU 120 N -0.01 0.04 -0.25 3.22 7.94 0.44 0.20 117.00 128.58 1bhj n LEU 120 Ca 0.00 1.48 0.04 0.00 -1.11 0.00 0.00 56.01 56.41 1bhj n LEU 120 Cb 0.09 -0.60 0.14 0.00 0.53 0.00 0.00 43.42 43.58 1bhj n LEU 120 CO 0.00 -1.55 0.80 0.44 -1.11 0.00 0.00 177.39 175.97 1bhj h ASP 121 N 0.00 -0.40 -1.03 1.96 5.19 -1.85 0.16 116.42 120.44 1bhj h ASP 121 Ca 0.61 0.20 -0.62 0.00 -0.62 0.00 0.00 57.03 56.59 1bhj h ASP 121 Cb 1.40 0.36 -0.37 0.00 0.18 0.00 0.00 39.33 40.90 1bhj h ASP 121 CO -0.77 -0.19 -0.05 2.29 -3.12 0.00 0.00 179.24 177.40 1bhj n LYS 122 N -5.37 3.20 0.00 3.56 -0.00 0.13 -4.36 118.16 115.32 1bhj n LYS 122 Ca 0.12 -3.85 0.00 0.00 -0.00 0.00 0.00 58.31 54.59 1bhj n LYS 122 Cb 0.44 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.19 1bhj n LYS 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1bhj n ASP 123 N -0.74 1.72 -3.71 -5.58 9.92 0.44 -5.04 116.55 113.55 1bhj n ASP 123 Ca 0.51 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.61 1bhj n ASP 123 Cb 0.76 0.27 -0.16 0.00 -0.64 0.00 0.00 41.12 41.35 1bhj n ASP 123 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bhj s VAL 124 N -0.97 -0.14 0.02 2.53 1.01 -0.43 -4.92 120.40 117.51 1bhj s VAL 124 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1bhj s VAL 124 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 1bhj s VAL 124 CO 0.00 0.12 1.40 -2.16 0.00 0.00 0.00 175.10 174.46 1bhj s PRO 125 N 1.72 4.29 -0.17 2.72 0.04 -1.26 -4.81 135.00 137.53 1bhj s PRO 125 Ca -0.02 1.98 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1bhj s PRO 125 Cb -0.12 -3.52 -0.13 0.00 0.04 0.00 0.00 34.50 30.77 1bhj s PRO 125 CO -0.05 -0.55 0.11 0.00 0.04 0.00 0.00 177.00 176.55 1bhj h ALA 126 N 7.67 0.13 -0.33 8.56 0.00 -1.94 -3.49 119.26 129.87 1bhj h ALA 126 Ca -0.39 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1bhj h ALA 126 Cb 1.18 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1bhj h ALA 126 CO 0.89 0.52 0.00 0.41 0.00 0.00 0.00 179.25 181.08 1bhj n GLY 127 N 1.54 1.53 0.18 0.00 0.00 -1.26 -1.55 105.19 105.63 1bhj n GLY 127 Ca -0.19 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1bhj n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bhj h ASP 128 N 0.00 0.00 -5.00 1.61 3.32 -2.00 -3.50 116.42 110.85 1bhj h ASP 128 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bhj h ASP 128 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bhj h ASP 128 CO 0.00 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1bhj n GLY 129 N 1.13 -2.02 3.53 2.75 0.00 -0.60 -4.42 105.19 105.57 1bhj n GLY 129 Ca 0.02 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 1bhj n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhj s PHE 130 N -0.45 2.50 0.07 1.61 0.40 -0.86 -4.71 117.98 116.54 1bhj s PHE 130 Ca 0.00 -0.28 -0.21 0.00 -0.60 0.00 0.00 56.93 55.85 1bhj s PHE 130 Cb 0.00 -1.16 -0.11 0.00 0.51 0.00 0.00 43.02 42.26 1bhj s PHE 130 CO 0.00 0.59 1.55 -0.44 0.70 0.00 0.00 175.22 177.61 1bhj h ASP 131 N 2.58 0.27 -3.77 1.36 3.32 -1.37 -2.00 116.42 116.82 1bhj h ASP 131 Ca -0.44 -0.25 -0.18 0.00 0.02 0.00 0.00 57.03 56.17 1bhj h ASP 131 Cb 1.23 -0.07 -0.26 0.00 0.22 0.00 0.00 39.33 40.44 1bhj h ASP 131 CO 0.56 0.45 -0.49 0.00 -1.72 0.00 0.00 179.24 178.04 1bhj s ALA 132 N -5.20 -0.50 -0.11 3.45 0.00 -0.79 -0.48 121.76 118.12 1bhj s ALA 132 Ca -0.14 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1bhj s ALA 132 Cb 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1bhj s ALA 132 CO 0.71 -0.10 -0.23 0.08 0.00 0.00 0.00 175.76 176.22 1bhj s VAL 133 N 0.21 2.13 0.01 0.00 1.01 -0.77 0.84 120.40 123.83 1bhj s VAL 133 Ca -0.01 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.08 1bhj s VAL 133 Cb -0.02 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1bhj s VAL 133 CO -0.00 0.55 -0.26 0.27 0.00 0.00 0.00 175.10 175.66 1bhj s ILE 134 N 0.48 2.07 -0.42 2.22 -4.36 0.65 -1.79 121.20 120.04 1bhj s ILE 134 Ca -0.15 -1.23 0.06 0.00 -0.26 0.00 0.00 60.65 59.07 1bhj s ILE 134 Cb -0.17 -1.74 0.21 0.00 1.25 0.00 0.00 42.46 42.01 1bhj s ILE 134 CO 0.06 0.47 0.51 0.00 0.24 0.00 0.00 174.94 176.22 1bhj s LEU 136 N -0.40 3.26 0.00 0.00 1.02 -1.26 -2.96 118.68 118.34 1bhj s LEU 136 Ca 0.33 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1bhj s LEU 136 Cb 0.10 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.38 1bhj s LEU 136 CO -0.15 -1.07 0.00 0.61 0.02 0.00 0.00 176.35 175.76 1bhj n GLY 137 N -2.00 0.58 2.42 -3.19 0.00 -1.26 -3.82 105.19 97.92 1bhj n GLY 137 Ca 0.10 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1bhj n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bhj n ASN 138 N 1.44 -5.41 0.24 1.61 5.15 -1.26 -4.88 115.26 112.15 1bhj n ASN 138 Ca 0.00 0.14 0.12 0.00 -0.60 0.00 0.00 54.58 54.24 1bhj n ASN 138 Cb 0.04 -4.59 0.52 0.00 -0.53 0.00 0.00 39.78 35.22 1bhj n ASN 138 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1bhj h SER 139 N 0.00 0.00 1.17 1.20 0.02 -1.83 -3.02 113.55 111.09 1bhj h SER 139 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1bhj h SER 139 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1bhj h SER 139 CO 0.55 0.15 0.00 0.15 -1.14 0.00 0.00 176.83 176.54 1bhj h PHE 140 N 0.00 0.00 0.00 3.45 3.57 -1.86 -2.93 116.94 119.17 1bhj h PHE 140 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bhj h PHE 140 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1bhj h PHE 140 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1bhj n ALA 141 N -1.99 1.92 -0.08 2.41 0.00 -1.14 -3.24 120.51 118.40 1bhj n ALA 141 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1bhj n ALA 141 Cb 0.34 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1bhj n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bhj h HIS 142 N 0.00 1.04 -2.81 0.00 3.86 -1.70 0.13 115.15 115.66 1bhj h HIS 142 Ca 0.00 -0.34 -0.57 0.00 -1.16 0.00 0.00 60.37 58.30 1bhj h HIS 142 Cb 0.36 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1bhj h HIS 142 CO 0.00 1.15 1.13 -1.17 0.86 0.00 0.00 177.93 179.90 1bhj s LEU 143 N -8.71 3.83 0.78 2.43 2.96 -1.20 -4.82 118.68 113.96 1bhj s LEU 143 Ca -0.10 1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.21 1bhj s LEU 143 Cb 0.11 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.34 1bhj s LEU 143 CO 0.88 -1.30 1.14 -2.16 -1.32 0.00 0.00 176.35 173.58 1bhj s PRO 144 N 4.76 2.00 -0.69 0.98 0.04 -1.26 -4.70 135.00 136.13 1bhj s PRO 144 Ca 0.71 -0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.76 1bhj s PRO 144 Cb -0.23 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.47 1bhj s PRO 144 CO 0.29 -1.51 0.50 0.34 0.04 0.00 0.00 177.00 176.66 1bhj s ASP 145 N -4.57 5.08 0.06 6.66 2.15 -1.26 -4.87 116.67 119.91 1bhj s ASP 145 Ca 0.62 -3.43 -0.29 0.00 0.43 0.00 0.00 52.55 49.88 1bhj s ASP 145 Cb -0.11 -1.75 -0.18 0.00 -0.30 0.00 0.00 42.92 40.59 1bhj s ASP 145 CO 0.48 -0.20 1.53 0.77 -0.17 0.00 0.00 175.17 177.58 1bhj h SER 146 N 6.13 -0.52 0.08 -0.34 4.64 -1.98 -2.88 113.55 118.68 1bhj h SER 146 Ca 0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1bhj h SER 146 Cb 0.84 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1bhj h SER 146 CO 0.74 -0.30 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 1bhj n LYS 147 N -5.32 0.07 0.00 4.77 4.76 -1.26 -4.84 118.16 116.34 1bhj n LYS 147 Ca -0.11 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1bhj n LYS 147 Cb 0.28 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1bhj n LYS 147 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bhj n GLY 148 N -0.90 1.88 0.94 0.72 0.00 -1.09 -4.75 105.19 101.99 1bhj n GLY 148 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1bhj n GLY 148 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bhj n ASP 149 N 0.00 2.76 -3.31 1.61 5.75 -1.26 -4.95 116.55 117.15 1bhj n ASP 149 Ca 0.00 -1.92 -0.24 0.00 -0.01 0.00 0.00 54.79 52.62 1bhj n ASP 149 Cb 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 41.12 39.86 1bhj n ASP 149 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bhj n GLN 150 N 1.02 -4.51 0.00 0.11 6.02 -1.26 -4.87 117.38 113.90 1bhj n GLN 150 Ca 0.18 0.68 -0.08 0.00 -0.01 0.00 0.00 57.00 57.77 1bhj n GLN 150 Cb 0.47 -5.50 0.08 0.00 1.02 0.00 0.00 30.24 26.32 1bhj n GLN 150 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bhj h SER 151 N -1.37 0.60 1.02 1.08 4.64 -1.94 -2.82 113.55 114.76 1bhj h SER 151 Ca -0.50 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 60.46 1bhj h SER 151 Cb 1.34 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1bhj h SER 151 CO 0.57 0.99 -0.33 -0.33 -0.87 0.00 0.00 176.83 176.85 1bhj h GLU 152 N 0.44 0.00 0.17 4.77 5.08 -1.92 -2.82 114.58 120.30 1bhj h GLU 152 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1bhj h GLU 152 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1bhj h GLU 152 CO 0.09 0.33 -0.08 0.45 -1.00 0.00 0.00 179.01 178.80 1bhj h HIS 153 N 0.00 -0.21 -0.64 4.33 3.86 -1.84 -0.07 115.15 120.58 1bhj h HIS 153 Ca -0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1bhj h HIS 153 Cb 0.93 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 1bhj h HIS 153 CO 0.00 0.11 0.42 0.00 0.86 0.00 0.00 177.93 179.32 1bhj h ARG 154 N -0.55 0.71 0.09 2.45 3.08 -1.48 0.34 114.38 119.02 1bhj h ARG 154 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1bhj h ARG 154 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1bhj h ARG 154 CO 0.04 0.47 -0.04 1.25 -1.07 0.00 0.00 179.97 180.61 1bhj h LEU 155 N 0.73 -0.11 -0.51 3.04 5.85 -1.38 0.77 115.31 123.71 1bhj h LEU 155 Ca 0.26 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.63 1bhj h LEU 155 Cb 0.12 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1bhj h LEU 155 CO -0.07 0.41 0.13 0.00 -0.34 0.00 0.00 178.44 178.57 1bhj h ALA 156 N 0.13 0.59 0.25 1.25 0.00 -0.76 0.15 119.26 120.87 1bhj h ALA 156 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1bhj h ALA 156 Cb 0.53 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bhj h ALA 156 CO 0.02 -0.28 -0.12 -0.07 0.00 0.00 0.00 179.25 178.80 1bhj h LEU 157 N 0.28 -0.28 -0.59 0.00 4.07 -0.92 -1.46 115.31 116.40 1bhj h LEU 157 Ca 0.25 -0.16 0.11 0.00 0.08 0.00 0.00 57.88 58.16 1bhj h LEU 157 Cb 0.32 0.07 -0.11 0.00 1.08 0.00 0.00 40.66 42.02 1bhj h LEU 157 CO -0.31 0.01 -0.26 0.50 -1.08 0.00 0.00 178.44 177.30 1bhj h LYS 158 N -0.58 -0.11 0.06 1.13 3.64 0.11 -1.13 116.57 119.70 1bhj h LYS 158 Ca -0.03 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1bhj h LYS 158 Cb 0.42 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1bhj h LYS 158 CO 0.06 -0.07 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.22 1bhj h ASN 159 N -0.11 -0.07 -0.52 4.20 -0.26 -0.66 -2.32 115.58 115.84 1bhj h ASN 159 Ca 0.26 -0.00 0.07 0.00 -0.56 0.00 0.00 56.30 56.06 1bhj h ASN 159 Cb 0.52 0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 1bhj h ASN 159 CO -0.65 -0.05 0.35 0.40 -1.06 0.00 0.00 177.43 176.42 1bhj h ILE 160 N -0.09 0.96 -0.31 2.81 2.04 -0.61 -1.65 117.51 120.66 1bhj h ILE 160 Ca -0.01 -0.15 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 1bhj h ILE 160 Cb 0.07 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1bhj h ILE 160 CO 0.01 0.08 -0.50 0.00 0.00 0.00 0.00 178.15 177.74 1bhj h ALA 161 N 1.73 0.47 0.00 1.87 0.00 -0.92 -2.82 119.26 119.58 1bhj h ALA 161 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bhj h ALA 161 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bhj h ALA 161 CO -0.06 0.66 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1bhj n SER 162 N -4.04 0.35 -0.11 0.00 3.41 -0.63 0.58 113.62 113.19 1bhj n SER 162 Ca -0.04 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1bhj n SER 162 Cb 0.60 -0.70 0.57 0.00 -0.26 0.00 0.00 64.21 64.42 1bhj n SER 162 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1bhj n MET 163 N -1.96 0.60 -3.36 4.33 0.00 -1.06 -4.79 117.12 110.88 1bhj n MET 163 Ca -0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 57.70 57.08 1bhj n MET 163 Cb 0.04 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.68 1bhj n MET 163 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1bhj s VAL 164 N -2.55 5.15 0.51 1.12 1.01 0.20 -2.02 120.40 123.81 1bhj s VAL 164 Ca 0.26 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.59 1bhj s VAL 164 Cb 0.20 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1bhj s VAL 164 CO 0.50 0.10 1.23 -0.60 0.00 0.00 0.00 175.10 176.33 1bhj s ARG 165 N 2.13 3.44 0.13 2.72 3.52 -0.75 -4.78 118.95 125.37 1bhj s ARG 165 Ca 0.16 1.93 -0.33 0.00 -0.13 0.00 0.00 55.73 57.36 1bhj s ARG 165 Cb -0.16 -2.29 -0.12 0.00 -1.56 0.00 0.00 34.95 30.82 1bhj s ARG 165 CO 0.10 -0.85 1.73 -2.30 -0.81 0.00 0.00 175.30 173.17 1bhj n PRO 166 N -0.83 2.52 0.00 5.12 -0.02 -1.26 0.24 135.00 140.77 1bhj n PRO 166 Ca 0.09 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1bhj n PRO 166 Cb 0.47 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1bhj n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bhj n GLY 167 N 3.92 2.48 3.55 -1.23 0.00 -0.65 -4.94 105.19 108.32 1bhj n GLY 167 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1bhj n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bhj s GLY 168 N -2.37 1.54 0.07 -0.02 0.00 0.65 -4.71 107.32 102.49 1bhj s GLY 168 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 44.72 44.48 1bhj s GLY 168 CO 0.00 0.38 -0.25 1.08 0.00 0.00 0.00 173.10 174.32 1bhj s LEU 169 N -6.98 2.22 -0.26 0.66 1.02 0.36 -2.12 118.68 113.58 1bhj s LEU 169 Ca 0.68 -0.62 0.02 0.00 0.02 0.00 0.00 54.13 54.22 1bhj s LEU 169 Cb -0.21 -1.16 0.07 0.00 0.02 0.00 0.00 46.19 44.90 1bhj s LEU 169 CO 0.61 0.20 -0.05 -0.22 0.02 0.00 0.00 176.35 176.91 1bhj s LEU 170 N -1.48 3.11 -0.68 1.79 2.96 -0.75 -1.84 118.68 121.78 1bhj s LEU 170 Ca 0.11 -1.40 -0.12 0.00 -0.22 0.00 0.00 54.13 52.50 1bhj s LEU 170 Cb -0.10 -1.34 0.18 0.00 0.50 0.00 0.00 46.19 45.43 1bhj s LEU 170 CO 0.03 -0.25 0.60 -0.69 -1.32 0.00 0.00 176.35 174.72 1bhj s VAL 171 N 1.25 5.07 -0.10 1.68 1.01 -0.74 0.78 120.40 129.35 1bhj s VAL 171 Ca -0.04 -2.21 0.04 0.00 0.00 0.00 0.00 61.98 59.77 1bhj s VAL 171 Cb -0.19 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1bhj s VAL 171 CO -0.07 -0.94 -0.23 -0.51 0.00 0.00 0.00 175.10 173.35 1bhj s ILE 172 N 0.65 2.00 0.51 2.22 2.07 0.23 -2.21 121.20 126.66 1bhj s ILE 172 Ca 0.12 -0.99 0.02 0.00 -1.41 0.00 0.00 60.65 58.39 1bhj s ILE 172 Cb -0.19 -1.74 -0.01 0.00 0.13 0.00 0.00 42.46 40.66 1bhj s ILE 172 CO -0.04 0.55 0.02 1.51 -1.91 0.00 0.00 174.94 175.06 1bhj s ASP 173 N 0.36 4.14 -0.05 4.50 -4.77 -1.15 0.10 116.67 119.80 1bhj s ASP 173 Ca -0.19 -1.63 -0.29 0.00 -3.30 0.00 0.00 52.55 47.14 1bhj s ASP 173 Cb -0.18 0.48 0.09 0.00 -1.09 0.00 0.00 42.92 42.22 1bhj s ASP 173 CO 0.09 -0.84 0.80 -1.38 0.70 0.00 0.00 175.17 174.54 1bhj s HIS 174 N -2.87 -0.50 0.71 2.11 -3.43 -0.14 -4.53 115.29 106.64 1bhj s HIS 174 Ca 0.08 0.73 -0.13 0.00 -0.80 0.00 0.00 55.06 54.94 1bhj s HIS 174 Cb 0.02 0.46 0.02 0.00 -1.43 0.00 0.00 32.58 31.65 1bhj s HIS 174 CO 0.04 -0.54 1.09 1.03 -2.00 0.00 0.00 174.74 174.36 1bhj s ARG 175 N -1.78 2.62 -1.07 -0.38 0.52 -1.26 0.15 118.95 117.75 1bhj s ARG 175 Ca -0.04 1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 56.17 1bhj s ARG 175 Cb -0.00 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1bhj s ARG 175 CO 0.01 -1.37 1.83 1.21 0.02 0.00 0.00 175.30 177.01 1bhj s ASN 176 N -3.09 5.58 0.35 0.23 3.04 -1.05 -4.64 114.94 115.35 1bhj s ASN 176 Ca 0.63 -1.37 0.25 0.00 0.04 0.00 0.00 52.86 52.40 1bhj s ASN 176 Cb -0.18 -2.57 0.58 0.00 -1.54 0.00 0.00 41.25 37.54 1bhj s ASN 176 CO 0.49 -2.42 1.69 1.88 -3.04 0.00 0.00 177.10 175.70 1bhj h TYR 177 N 10.01 0.00 -0.35 0.43 0.05 -1.90 -2.88 116.97 122.33 1bhj h TYR 177 Ca 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 1bhj h TYR 177 Cb 0.97 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 1bhj h TYR 177 CO 1.26 0.00 0.20 -0.44 -1.05 0.00 0.00 178.16 178.13 1bhj h ASP 178 N 0.00 0.43 -0.06 3.88 5.19 -1.84 0.41 116.42 124.43 1bhj h ASP 178 Ca 0.00 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1bhj h ASP 178 Cb 0.86 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1bhj h ASP 178 CO 0.00 0.38 -0.01 0.22 -3.12 0.00 0.00 179.24 176.71 1bhj h TYR 179 N 0.45 0.13 -0.37 4.55 3.20 -1.93 -0.88 116.97 122.12 1bhj h TYR 179 Ca 0.13 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1bhj h TYR 179 Cb 0.03 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1bhj h TYR 179 CO -0.03 0.44 -0.14 -0.84 -1.64 0.00 0.00 178.16 175.95 1bhj h ILE 180 N -0.22 1.25 -0.40 1.81 -0.00 -1.37 0.85 117.51 119.43 1bhj h ILE 180 Ca 0.02 -1.15 -0.07 0.00 -0.00 0.00 0.00 64.86 63.66 1bhj h ILE 180 Cb 0.40 1.12 -0.01 0.00 -0.00 0.00 0.00 36.82 38.33 1bhj h ILE 180 CO 0.01 0.38 -0.01 0.25 -0.00 0.00 0.00 178.15 178.78 1bhj h LEU 181 N 0.60 0.70 -0.22 0.16 5.85 -0.18 1.41 115.31 123.63 1bhj h LEU 181 Ca 0.10 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1bhj h LEU 181 Cb 0.58 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1bhj h LEU 181 CO 0.04 0.85 0.02 0.77 -0.34 0.00 0.00 178.44 179.77 1bhj h SER 182 N 0.54 0.37 0.80 1.25 4.64 -0.82 -3.23 113.55 117.11 1bhj h SER 182 Ca 0.11 -0.29 -0.24 0.00 -0.47 0.00 0.00 61.79 60.90 1bhj h SER 182 Cb 0.49 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1bhj h SER 182 CO 0.02 0.57 -1.26 0.71 -0.87 0.00 0.00 176.83 176.01 1bhj h THR 183 N 0.17 1.41 0.00 2.95 1.35 -0.84 -3.48 112.91 114.47 1bhj h THR 183 Ca 0.07 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.77 1bhj h THR 183 Cb 0.37 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1bhj h THR 183 CO 0.01 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1bhj n GLY 184 N 1.44 0.50 2.93 5.82 0.00 0.48 -5.05 105.19 111.31 1bhj n GLY 184 Ca -0.06 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1bhj n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhj s ALA 186 N 0.11 2.60 0.56 0.00 0.00 -1.26 -4.43 121.76 119.34 1bhj s ALA 186 Ca -0.01 -3.02 -0.16 0.00 0.00 0.00 0.00 51.96 48.77 1bhj s ALA 186 Cb -0.01 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1bhj s ALA 186 CO -0.00 -2.05 1.03 -1.25 0.00 0.00 0.00 175.76 173.49 1bhj s PRO 187 N -0.36 3.57 0.35 0.00 0.04 -1.26 -4.89 135.00 132.45 1bhj s PRO 187 Ca 0.24 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 1bhj s PRO 187 Cb -0.11 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1bhj s PRO 187 CO -0.10 -0.60 0.95 -1.25 0.04 0.00 0.00 177.00 176.04 1bhj s PRO 188 N -4.10 4.50 0.00 0.56 0.04 -1.26 -4.40 135.00 130.34 1bhj s PRO 188 Ca 0.62 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1bhj s PRO 188 Cb -0.14 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1bhj s PRO 188 CO 0.35 0.21 0.00 0.41 0.04 0.00 0.00 177.00 178.01 1bhj n GLY 189 N 0.29 1.78 0.00 0.56 0.00 -1.26 -5.01 105.19 101.55 1bhj n GLY 189 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1bhj n GLY 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bhj n LYS 190 N -0.98 0.83 -1.58 1.61 4.76 -1.26 -5.01 118.16 116.53 1bhj n LYS 190 Ca 0.00 -0.02 -0.57 0.00 -2.87 0.00 0.00 58.31 54.85 1bhj n LYS 190 Cb 0.00 -1.01 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 1bhj n LYS 190 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1bhj n ASN 191 N -1.53 1.98 0.11 4.39 2.85 -1.26 -4.84 115.26 116.96 1bhj n ASN 191 Ca -0.00 0.85 -0.01 0.00 -0.11 0.00 0.00 54.58 55.31 1bhj n ASN 191 Cb 0.07 -1.11 -0.03 0.00 1.24 0.00 0.00 39.78 39.94 1bhj n ASN 191 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1bhj h ILE 192 N 5.98 1.09 0.05 -1.44 3.07 -1.96 -3.38 117.51 120.92 1bhj h ILE 192 Ca -0.36 -2.58 -0.11 0.00 1.55 0.00 0.00 64.86 63.37 1bhj h ILE 192 Cb 1.34 2.53 0.01 0.00 -0.27 0.00 0.00 36.82 40.43 1bhj h ILE 192 CO 1.00 0.62 -0.46 1.88 -1.05 0.00 0.00 178.15 180.14 1bhj h TYR 193 N 0.00 0.37 -3.24 0.16 0.05 -1.94 -3.41 116.97 108.96 1bhj h TYR 193 Ca -0.02 -0.23 -0.46 0.00 0.05 0.00 0.00 58.73 58.06 1bhj h TYR 193 Cb 1.53 -0.03 -0.39 0.00 1.01 0.00 0.00 36.73 38.85 1bhj h TYR 193 CO 0.00 1.12 -0.76 0.71 -1.05 0.00 0.00 178.16 178.17 1bhj s TYR 194 N -2.72 0.69 -0.25 4.88 2.02 -1.26 0.46 117.35 121.17 1bhj s TYR 194 Ca -0.15 -0.41 -0.28 0.00 -0.37 0.00 0.00 57.07 55.86 1bhj s TYR 194 Cb 0.01 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1bhj s TYR 194 CO 0.78 -0.45 2.03 0.21 -1.57 0.00 0.00 175.55 176.55 1bhj s LYS 195 N 1.97 3.28 -0.34 -0.62 2.20 -1.01 -4.87 119.74 120.35 1bhj s LYS 195 Ca 0.02 1.83 -0.29 0.00 -0.36 0.00 0.00 55.97 57.17 1bhj s LYS 195 Cb -0.14 -4.29 0.01 0.00 -1.51 0.00 0.00 37.83 31.90 1bhj s LYS 195 CO -0.07 -1.93 1.25 -1.12 -0.36 0.00 0.00 175.35 173.13 1bhj s SER 196 N 7.16 6.67 -0.01 1.43 0.01 -1.26 -4.60 113.70 123.11 1bhj s SER 196 Ca 0.91 1.04 0.04 0.00 1.31 0.00 0.00 55.95 59.25 1bhj s SER 196 Cb -0.29 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.53 1bhj s SER 196 CO 0.35 -1.11 1.04 0.47 0.41 0.00 0.00 173.24 174.40 1bhj n ASP 197 N 7.67 1.01 -4.46 2.44 8.00 -1.26 -4.77 116.55 125.17 1bhj n ASP 197 Ca 0.14 -2.03 -0.37 0.00 0.71 0.00 0.00 54.79 53.23 1bhj n ASP 197 Cb 0.47 -0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 41.27 1bhj n ASP 197 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bhj s LEU 198 N -0.92 3.73 0.34 0.64 2.96 -1.26 -5.08 118.68 119.09 1bhj s LEU 198 Ca 0.10 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.44 1bhj s LEU 198 Cb 0.06 -1.97 -0.10 0.00 0.50 0.00 0.00 46.19 44.68 1bhj s LEU 198 CO 0.06 -0.09 1.28 -0.89 -1.32 0.00 0.00 176.35 175.40 1bhj s THR 199 N 1.63 2.78 0.34 3.68 2.01 -1.26 -4.97 115.64 119.85 1bhj s THR 199 Ca 0.06 0.77 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1bhj s THR 199 Cb -0.16 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1bhj s THR 199 CO 0.05 0.17 0.36 -0.54 -0.69 0.00 0.00 174.62 173.97 1bhj s LYS 200 N -1.85 1.84 -0.14 4.92 1.02 -1.26 -2.25 119.74 122.02 1bhj s LYS 200 Ca 0.50 -1.94 -0.10 0.00 0.02 0.00 0.00 55.97 54.45 1bhj s LYS 200 Cb -0.38 0.37 0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1bhj s LYS 200 CO 0.51 -0.71 0.35 0.34 -0.92 0.00 0.00 175.35 174.91 1bhj s ASP 201 N -3.33 -0.39 -0.04 2.83 2.15 -0.92 -4.96 116.67 112.01 1bhj s ASP 201 Ca 0.37 0.73 0.01 0.00 0.43 0.00 0.00 52.55 54.09 1bhj s ASP 201 Cb 0.01 0.68 0.02 0.00 -0.30 0.00 0.00 42.92 43.33 1bhj s ASP 201 CO 0.25 -0.15 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.43 1bhj s ILE 202 N 0.69 0.53 -0.25 4.11 1.01 -1.26 -0.18 121.20 125.85 1bhj s ILE 202 Ca -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1bhj s ILE 202 Cb -0.05 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1bhj s ILE 202 CO -0.05 0.21 0.06 -0.89 0.00 0.00 0.00 174.94 174.28 1bhj s THR 203 N 0.73 4.20 -0.13 2.92 2.01 -0.73 -4.91 115.64 119.74 1bhj s THR 203 Ca -0.10 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1bhj s THR 203 Cb -0.13 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1bhj s THR 203 CO 0.00 0.31 0.41 -0.89 -0.69 0.00 0.00 174.62 173.76 1bhj s THR 204 N 1.59 5.22 -0.16 -0.82 2.01 -1.26 -2.36 115.64 119.87 1bhj s THR 204 Ca 0.06 0.80 0.01 0.00 0.31 0.00 0.00 61.69 62.87 1bhj s THR 204 Cb -0.15 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1bhj s THR 204 CO 0.03 0.36 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.70 1bhj s SER 205 N 0.48 2.92 -0.16 3.53 0.01 -0.42 -4.95 113.70 115.11 1bhj s SER 205 Ca 0.22 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.90 1bhj s SER 205 Cb -0.14 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 1bhj s SER 205 CO 0.08 0.00 -0.10 -0.69 0.41 0.00 0.00 173.24 172.95 1bhj s VAL 206 N 1.23 3.25 -0.14 3.43 1.01 -1.26 -0.26 120.40 127.66 1bhj s VAL 206 Ca 0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1bhj s VAL 206 Cb -0.14 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1bhj s VAL 206 CO -0.09 0.50 -0.12 -0.22 0.00 0.00 0.00 175.10 175.16 1bhj s LEU 207 N 0.64 2.72 -0.12 3.92 2.96 -0.35 -5.03 118.68 123.41 1bhj s LEU 207 Ca -0.05 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1bhj s LEU 207 Cb -0.15 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1bhj s LEU 207 CO 0.03 0.14 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.11 1bhj s THR 208 N 0.47 1.85 -0.30 3.68 2.01 -1.26 -0.60 115.64 121.49 1bhj s THR 208 Ca -0.09 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 1bhj s THR 208 Cb -0.16 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1bhj s THR 208 CO 0.04 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.86 1bhj s VAL 209 N 0.74 3.73 -1.28 3.82 1.01 0.05 -4.55 120.40 123.92 1bhj s VAL 209 Ca -0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1bhj s VAL 209 Cb -0.16 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1bhj s VAL 209 CO 0.01 0.00 0.90 0.59 0.00 0.00 0.00 175.10 176.60 1bhj n ASN 210 N 4.81 -2.32 0.00 3.32 3.02 -1.26 -2.29 115.26 120.54 1bhj n ASN 210 Ca -0.14 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1bhj n ASN 210 Cb 0.47 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1bhj n ASN 210 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bhj n ASN 211 N -3.07 0.00 -4.62 6.41 4.05 -1.26 -4.97 115.26 111.80 1bhj n ASN 211 Ca -0.24 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.38 1bhj n ASN 211 Cb 0.65 -0.09 -0.07 0.00 1.23 0.00 0.00 39.78 41.51 1bhj n ASN 211 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1bhj s LYS 212 N 0.00 4.09 0.38 1.20 1.02 -0.97 -5.00 119.74 120.47 1bhj s LYS 212 Ca 0.00 0.49 -0.27 0.00 0.02 0.00 0.00 55.97 56.20 1bhj s LYS 212 Cb 0.00 -3.65 -0.11 0.00 -0.52 0.00 0.00 37.83 33.55 1bhj s LYS 212 CO 0.00 -0.40 1.36 0.00 -0.92 0.00 0.00 175.35 175.38 1bhj n ALA 213 N 5.67 1.67 0.00 5.17 0.00 -1.26 -0.77 120.51 130.99 1bhj n ALA 213 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1bhj n ALA 213 Cb 0.49 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1bhj n ALA 213 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bhj n HIS 214 N 0.21 0.00 -3.57 0.00 8.25 0.23 -4.81 115.22 115.53 1bhj n HIS 214 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 1bhj n HIS 214 Cb 0.38 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 1bhj n HIS 214 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1bhj s MET 215 N -1.29 0.85 -0.16 -0.41 -2.45 -1.01 -4.57 119.30 110.26 1bhj s MET 215 Ca 0.00 0.47 0.01 0.00 -1.25 0.00 0.00 55.69 54.92 1bhj s MET 215 Cb 0.00 0.41 0.01 0.00 1.25 0.00 0.00 34.83 36.49 1bhj s MET 215 CO 0.00 -0.21 -0.18 0.08 1.05 0.00 0.00 175.02 175.76 1bhj s VAL 216 N -0.61 2.34 -0.10 10.11 1.01 0.22 -1.21 120.40 132.16 1bhj s VAL 216 Ca -0.05 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1bhj s VAL 216 Cb -0.02 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1bhj s VAL 216 CO 0.04 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 1bhj s THR 217 N 1.01 3.61 -0.18 3.92 2.01 0.64 -0.89 115.64 125.76 1bhj s THR 217 Ca -0.02 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1bhj s THR 217 Cb -0.15 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1bhj s THR 217 CO -0.05 0.56 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.49 1bhj s LEU 218 N -0.37 2.17 -0.39 4.42 1.02 0.66 -1.30 118.68 124.90 1bhj s LEU 218 Ca 0.05 -0.63 -0.13 0.00 0.02 0.00 0.00 54.13 53.44 1bhj s LEU 218 Cb -0.12 -1.49 0.03 0.00 0.02 0.00 0.00 46.19 44.62 1bhj s LEU 218 CO 0.02 0.00 0.25 -1.81 0.02 0.00 0.00 176.35 174.83 1bhj s ASP 219 N 1.28 5.88 -0.10 2.29 1.01 -0.99 -1.97 116.67 124.07 1bhj s ASP 219 Ca 0.05 -0.98 -0.11 0.00 0.71 0.00 0.00 52.55 52.22 1bhj s ASP 219 Cb -0.13 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 1bhj s ASP 219 CO -0.12 -0.42 0.26 -0.31 0.21 0.00 0.00 175.17 174.79 1bhj s TYR 220 N 1.60 3.59 -0.50 4.23 1.51 -0.60 -1.77 117.35 125.41 1bhj s TYR 220 Ca 0.03 0.67 0.04 0.00 -1.01 0.00 0.00 57.07 56.80 1bhj s TYR 220 Cb -0.19 -2.17 0.13 0.00 -0.11 0.00 0.00 41.96 39.62 1bhj s TYR 220 CO 0.08 0.55 0.24 0.99 -1.11 0.00 0.00 175.55 176.29 1bhj s THR 221 N -0.55 2.50 0.16 -0.71 2.01 0.75 -2.36 115.64 117.44 1bhj s THR 221 Ca 0.18 -3.18 -0.27 0.00 0.31 0.00 0.00 61.69 58.72 1bhj s THR 221 Cb -0.14 -2.75 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 1bhj s THR 221 CO 0.06 -0.78 0.84 -0.69 -0.69 0.00 0.00 174.62 173.36 1bhj s VAL 222 N -0.14 4.37 -1.19 3.82 1.01 -0.87 -2.16 120.40 125.24 1bhj s VAL 222 Ca 0.16 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.86 1bhj s VAL 222 Cb -0.25 -4.21 0.20 0.00 0.00 0.00 0.00 36.38 32.12 1bhj s VAL 222 CO -0.01 0.47 1.35 1.67 0.00 0.00 0.00 175.10 178.58 1bhj n GLN 223 N 1.90 3.43 -1.84 2.72 7.27 -0.95 -2.74 117.38 127.17 1bhj n GLN 223 Ca -0.03 -4.02 -0.43 0.00 0.07 0.00 0.00 57.00 52.58 1bhj n GLN 223 Cb 0.49 -2.90 -0.03 0.00 2.41 0.00 0.00 30.24 30.21 1bhj n GLN 223 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1bhj s VAL 224 N 0.71 3.29 0.49 1.69 -7.23 0.67 -4.70 120.40 115.32 1bhj s VAL 224 Ca 0.39 0.31 -0.23 0.00 -1.81 0.00 0.00 61.98 60.64 1bhj s VAL 224 Cb -0.05 -3.36 -0.07 0.00 0.56 0.00 0.00 36.38 33.46 1bhj s VAL 224 CO -0.02 -0.21 1.31 -2.84 -0.31 0.00 0.00 175.10 173.03 1bhj s PRO 225 N 5.72 3.51 0.00 4.82 0.02 -1.26 0.11 135.00 147.91 1bhj s PRO 225 Ca 0.87 2.14 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1bhj s PRO 225 Cb -0.28 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.80 1bhj s PRO 225 CO 0.34 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1bhj n GLY 226 N 0.63 2.85 1.50 0.52 0.00 -1.19 -4.80 105.19 104.71 1bhj n GLY 226 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1bhj n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhj n ALA 227 N 0.05 3.86 -2.68 4.61 0.00 -1.13 -4.84 120.51 120.39 1bhj n ALA 227 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.14 1bhj n ALA 227 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 1bhj n ALA 227 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bhj s GLY 228 N 0.39 2.92 0.00 0.00 0.00 0.29 -3.07 107.32 107.85 1bhj s GLY 228 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1bhj s GLY 228 CO 0.02 -2.06 0.46 -2.13 0.00 0.00 0.00 173.10 169.39 1bhj n ARG 229 N -1.15 0.00 -3.04 2.90 3.00 -1.26 -4.23 116.66 112.87 1bhj n ARG 229 Ca -0.15 0.18 -0.32 0.00 -0.00 0.00 0.00 57.85 57.56 1bhj n ARG 229 Cb 0.66 -0.96 -0.03 0.00 0.00 0.00 0.00 32.46 32.13 1bhj n ARG 229 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1bhj n ASP 230 N -0.64 5.11 0.00 6.15 9.92 -1.26 -4.69 116.55 131.14 1bhj n ASP 230 Ca 0.00 -3.57 0.00 0.00 -0.53 0.00 0.00 54.79 50.69 1bhj n ASP 230 Cb 0.00 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1bhj n ASP 230 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bhj n GLY 231 N 0.37 2.76 3.45 0.44 0.00 -1.26 -5.05 105.19 105.90 1bhj n GLY 231 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1bhj n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhj n ALA 232 N -0.31 -1.78 -2.00 4.61 0.00 -1.26 -3.70 120.51 116.06 1bhj n ALA 232 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 1bhj n ALA 232 Cb 0.00 -1.83 0.08 0.00 0.00 0.00 0.00 19.45 17.69 1bhj n ALA 232 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bhj s PRO 233 N -2.93 2.09 0.41 0.00 0.04 -1.26 0.10 135.00 133.45 1bhj s PRO 233 Ca 0.63 -1.21 0.07 0.00 0.04 0.00 0.00 61.00 60.54 1bhj s PRO 233 Cb -0.32 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 1bhj s PRO 233 CO 0.60 -1.07 0.19 0.20 0.04 0.00 0.00 177.00 176.96 1bhj s GLY 234 N -4.63 2.31 -0.37 0.56 0.00 0.29 -3.74 107.32 101.73 1bhj s GLY 234 Ca 0.63 -2.09 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1bhj s GLY 234 CO 0.41 -1.89 0.17 -1.36 0.00 0.00 0.00 173.10 170.43 1bhj s PHE 235 N -2.58 1.85 0.39 1.90 0.40 -1.26 -0.24 117.98 118.44 1bhj s PHE 235 Ca 0.41 -2.10 0.08 0.00 -0.60 0.00 0.00 56.93 54.72 1bhj s PHE 235 Cb 0.03 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.77 1bhj s PHE 235 CO 0.23 -0.83 0.52 -1.12 0.70 0.00 0.00 175.22 174.71 1bhj s SER 236 N 0.97 5.66 -0.02 1.36 0.01 -1.11 -4.93 113.70 115.64 1bhj s SER 236 Ca 0.14 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 1bhj s SER 236 Cb -0.21 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.22 1bhj s SER 236 CO -0.11 -0.65 0.17 -0.54 0.41 0.00 0.00 173.24 172.52 1bhj s LYS 237 N -4.27 0.40 0.22 12.44 1.02 -1.26 -2.06 119.74 126.24 1bhj s LYS 237 Ca 0.51 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1bhj s LYS 237 Cb -0.09 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1bhj s LYS 237 CO 0.32 -0.09 0.11 -0.59 -0.92 0.00 0.00 175.35 174.18 1bhj s PHE 238 N -0.85 1.31 -0.01 3.18 -0.71 -1.00 -4.41 117.98 115.49 1bhj s PHE 238 Ca -0.09 -1.27 0.01 0.00 -1.04 0.00 0.00 56.93 54.54 1bhj s PHE 238 Cb -0.05 -0.71 0.00 0.00 -1.21 0.00 0.00 43.02 41.06 1bhj s PHE 238 CO 0.01 -0.48 -0.05 0.50 -1.34 0.00 0.00 175.22 173.86 1bhj s ARG 239 N -4.09 0.52 0.05 1.99 3.52 -1.26 -1.55 118.95 118.12 1bhj s ARG 239 Ca 0.37 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1bhj s ARG 239 Cb 0.07 -0.52 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1bhj s ARG 239 CO 0.12 0.06 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.09 1bhj s LEU 240 N 0.19 2.31 0.10 -0.88 1.43 -0.83 -5.01 118.68 115.98 1bhj s LEU 240 Ca -0.02 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1bhj s LEU 240 Cb -0.06 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.07 1bhj s LEU 240 CO -0.00 -0.30 -0.17 -0.44 0.23 0.00 0.00 176.35 175.67 1bhj s SER 241 N -1.89 2.13 0.11 2.29 0.01 -1.26 -0.24 113.70 114.86 1bhj s SER 241 Ca -0.07 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.50 1bhj s SER 241 Cb -0.06 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1bhj s SER 241 CO -0.02 -0.03 0.02 -0.31 0.41 0.00 0.00 173.24 173.31 1bhj s TYR 242 N -1.39 0.82 -0.27 2.43 1.51 -0.07 -4.62 117.35 115.76 1bhj s TYR 242 Ca 0.04 -1.14 -0.14 0.00 -1.01 0.00 0.00 57.07 54.82 1bhj s TYR 242 Cb -0.09 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1bhj s TYR 242 CO 0.03 -0.41 0.33 -0.47 -1.11 0.00 0.00 175.55 173.92 1bhj s TYR 243 N -3.93 3.25 -0.59 2.71 6.14 0.44 -0.61 117.35 124.76 1bhj s TYR 243 Ca 0.19 0.36 -0.26 0.00 0.64 0.00 0.00 57.07 57.99 1bhj s TYR 243 Cb 0.07 -2.52 -0.06 0.00 0.42 0.00 0.00 41.96 39.87 1bhj s TYR 243 CO -0.02 -0.20 2.23 -1.25 0.64 0.00 0.00 175.55 176.96 1bhj s PRO 244 N 1.94 2.20 -0.25 4.97 0.04 -1.26 -4.86 135.00 137.79 1bhj s PRO 244 Ca 0.13 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1bhj s PRO 244 Cb -0.16 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.76 1bhj s PRO 244 CO 0.10 -3.29 0.41 -1.01 0.04 0.00 0.00 177.00 173.25 1bhj s HIS 245 N 11.58 3.28 0.06 0.56 3.76 -1.26 -4.99 115.29 128.27 1bhj s HIS 245 Ca 0.87 0.51 -0.21 0.00 -0.15 0.00 0.00 55.06 56.08 1bhj s HIS 245 Cb -0.15 -2.59 -0.06 0.00 1.11 0.00 0.00 32.58 30.89 1bhj s HIS 245 CO 0.21 -0.19 0.62 0.00 -0.85 0.00 0.00 174.74 174.53 1bhj h LEU 247 N 4.96 -0.65 0.62 0.00 5.85 -1.97 0.02 115.31 124.14 1bhj h LEU 247 Ca -0.47 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1bhj h LEU 247 Cb 1.21 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1bhj h LEU 247 CO 0.66 -0.31 -0.34 0.00 -0.34 0.00 0.00 178.44 178.12 1bhj h ALA 248 N 1.92 -0.89 0.02 1.25 0.00 -2.00 0.10 119.26 119.66 1bhj h ALA 248 Ca 0.50 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1bhj h ALA 248 Cb 0.89 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1bhj h ALA 248 CO -0.90 -1.01 -0.32 0.77 0.00 0.00 0.00 179.25 177.79 1bhj h SER 249 N -0.89 -0.94 -0.16 0.00 0.02 -1.65 -2.84 113.55 107.10 1bhj h SER 249 Ca -0.08 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1bhj h SER 249 Cb 0.70 0.37 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1bhj h SER 249 CO 0.11 -0.38 -0.06 0.15 -1.14 0.00 0.00 176.83 175.51 1bhj h PHE 250 N -0.48 -0.13 -0.76 3.45 3.04 -0.97 -0.66 116.94 120.43 1bhj h PHE 250 Ca 0.06 0.02 0.17 0.00 3.98 0.00 0.00 57.97 62.19 1bhj h PHE 250 Cb 0.56 0.08 -0.14 0.00 2.56 0.00 0.00 35.95 39.01 1bhj h PHE 250 CO -0.33 -0.09 -0.07 1.15 -2.02 0.00 0.00 178.31 176.94 1bhj h THR 251 N -0.03 0.29 0.01 4.41 2.02 -0.56 0.22 112.91 119.27 1bhj h THR 251 Ca 0.08 -0.02 -0.21 0.00 0.77 0.00 0.00 66.41 67.04 1bhj h THR 251 Cb 0.15 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1bhj h THR 251 CO -0.18 0.01 -0.91 1.05 0.37 0.00 0.00 175.52 175.86 1bhj h GLU 252 N 0.05 0.21 0.50 6.66 4.11 -1.35 -2.75 114.58 122.02 1bhj h GLU 252 Ca 0.40 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.56 1bhj h GLU 252 Cb 0.67 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1bhj h GLU 252 CO -0.72 0.98 -0.24 1.25 0.07 0.00 0.00 179.01 180.36 1bhj h LEU 253 N 0.11 -0.57 -1.96 3.06 5.85 0.48 -0.20 115.31 122.09 1bhj h LEU 253 Ca -0.05 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.91 1bhj h LEU 253 Cb 1.55 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1bhj h LEU 253 CO 0.14 -0.41 0.61 1.62 -0.34 0.00 0.00 178.44 180.06 1bhj h VAL 254 N -0.68 0.49 -0.00 1.05 3.04 -0.76 -1.70 116.25 117.70 1bhj h VAL 254 Ca -0.07 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.54 1bhj h VAL 254 Cb 0.52 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 30.37 1bhj h VAL 254 CO 0.11 0.00 -0.33 1.56 -1.01 0.00 0.00 177.57 177.90 1bhj h GLN 255 N 0.00 0.22 0.00 4.17 4.20 -1.15 -3.01 115.11 119.53 1bhj h GLN 255 Ca 0.36 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1bhj h GLN 255 Cb 1.57 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1bhj h GLN 255 CO -0.00 0.96 0.00 -0.85 -0.67 0.00 0.00 178.83 178.27 1bhj n GLU 256 N -4.44 0.16 0.26 1.46 0.28 -0.12 -1.27 120.64 116.97 1bhj n GLU 256 Ca -0.10 0.56 0.10 0.00 -0.16 0.00 0.00 57.16 57.56 1bhj n GLU 256 Cb 0.54 -1.92 0.69 0.00 1.43 0.00 0.00 31.44 32.18 1bhj n GLU 256 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bhj h ALA 257 N 2.09 1.74 -0.02 -1.84 0.00 -1.35 -0.17 119.26 119.71 1bhj h ALA 257 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bhj h ALA 257 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bhj h ALA 257 CO 0.00 0.07 -0.24 1.19 0.00 0.00 0.00 179.25 180.27 1bhj n PHE 258 N -4.22 0.00 -1.16 0.00 3.72 -0.40 -4.65 117.46 110.75 1bhj n PHE 258 Ca -0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 1bhj n PHE 258 Cb 0.14 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1bhj n PHE 258 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bhj n GLY 259 N 1.28 0.78 0.00 1.37 0.00 -0.08 -3.25 105.19 105.30 1bhj n GLY 259 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1bhj n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhj n GLY 260 N -1.75 3.03 3.18 -0.02 0.00 -1.20 -4.95 105.19 103.48 1bhj n GLY 260 Ca -0.06 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1bhj n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bhj n ARG 261 N 0.00 0.98 -4.06 1.61 1.74 -1.20 -4.72 116.66 111.01 1bhj n ARG 261 Ca 0.00 -1.46 -0.15 0.00 -0.77 0.00 0.00 57.85 55.47 1bhj n ARG 261 Cb 0.00 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 28.72 1bhj n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bhj s GLN 263 N -2.83 0.16 0.31 0.00 0.74 -0.35 -4.86 119.66 112.83 1bhj s GLN 263 Ca 0.30 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.39 1bhj s GLN 263 Cb -0.01 -1.59 -0.04 0.00 1.10 0.00 0.00 33.01 32.46 1bhj s GLN 263 CO 0.22 -0.81 0.54 -1.58 -0.55 0.00 0.00 175.29 173.10 1bhj s HIS 264 N 2.09 3.49 -0.29 1.67 5.65 -1.26 -1.70 115.29 124.94 1bhj s HIS 264 Ca 0.05 0.48 -0.18 0.00 0.25 0.00 0.00 55.06 55.65 1bhj s HIS 264 Cb -0.16 -1.98 0.15 0.00 -1.18 0.00 0.00 32.58 29.41 1bhj s HIS 264 CO -0.20 0.16 1.05 0.45 -0.65 0.00 0.00 174.74 175.55 1bhj s SER 265 N -3.58 -0.41 -0.16 9.88 0.15 -1.19 -5.01 113.70 113.38 1bhj s SER 265 Ca 0.42 0.68 -0.01 0.00 0.70 0.00 0.00 55.95 57.74 1bhj s SER 265 Cb -0.10 1.06 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 1bhj s SER 265 CO 0.33 -0.11 -0.12 0.54 1.20 0.00 0.00 173.24 175.08 1bhj s VAL 266 N 1.04 3.00 0.14 4.45 0.11 -1.26 -1.99 120.40 125.89 1bhj s VAL 266 Ca -0.06 -0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 58.24 1bhj s VAL 266 Cb -0.04 -2.29 -0.06 0.00 -1.53 0.00 0.00 36.38 32.46 1bhj s VAL 266 CO -0.13 0.50 0.45 -0.76 -3.33 0.00 0.00 175.10 171.83 1bhj s LEU 267 N 0.73 4.28 0.00 2.54 1.43 -0.09 -2.93 118.68 124.63 1bhj s LEU 267 Ca -0.05 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1bhj s LEU 267 Cb -0.15 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1bhj s LEU 267 CO 0.02 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1bhj n GLY 268 N 0.41 -1.82 0.21 -3.19 0.00 0.81 -3.39 105.19 98.22 1bhj n GLY 268 Ca -0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1bhj n GLY 268 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bhj h ASP 269 N 0.00 0.57 0.00 1.61 3.32 -1.91 -3.37 116.42 116.64 1bhj h ASP 269 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1bhj h ASP 269 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1bhj h ASP 269 CO 0.00 1.01 0.00 0.49 -1.72 0.00 0.00 179.24 179.02 1bhj n PHE 270 N -3.95 0.00 -2.86 4.55 3.72 -1.26 -4.85 117.46 112.80 1bhj n PHE 270 Ca -0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 1bhj n PHE 270 Cb 0.60 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.15 1bhj n PHE 270 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bhj s LYS 271 N 0.00 3.20 0.57 -1.08 1.02 -1.26 -4.99 119.74 117.20 1bhj s LYS 271 Ca 0.00 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 1bhj s LYS 271 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1bhj s LYS 271 CO 0.00 -0.27 1.30 -0.35 -0.92 0.00 0.00 175.35 175.11 1bhj n PRO 272 N -2.17 1.51 -4.72 -1.68 -0.04 -1.26 0.28 135.00 126.92 1bhj n PRO 272 Ca 0.01 0.56 -0.31 0.00 -0.04 0.00 0.00 63.50 63.72 1bhj n PRO 272 Cb 0.57 -2.51 -0.17 0.00 -0.04 0.00 0.00 33.50 31.35 1bhj n PRO 272 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1bhj s TYR 273 N -1.32 2.37 -0.04 0.54 5.04 -1.15 -4.17 117.35 118.61 1bhj s TYR 273 Ca 0.74 -1.11 0.04 0.00 -2.44 0.00 0.00 57.07 54.30 1bhj s TYR 273 Cb -0.42 -1.63 -0.00 0.00 0.35 0.00 0.00 41.96 40.26 1bhj s TYR 273 CO 0.48 -0.51 -0.16 -0.98 -1.34 0.00 0.00 175.55 173.03 1bhj s ARG 274 N 0.76 1.67 0.73 4.97 1.70 -1.26 -4.83 118.95 122.68 1bhj s ARG 274 Ca -0.10 -0.58 -0.17 0.00 -0.47 0.00 0.00 55.73 54.42 1bhj s ARG 274 Cb -0.16 -1.47 -0.09 0.00 -0.57 0.00 0.00 34.95 32.67 1bhj s ARG 274 CO 0.01 0.24 0.08 -2.30 -1.08 0.00 0.00 175.30 172.24 1bhj n PRO 275 N 3.12 0.13 -0.32 3.89 -0.02 -1.26 -1.50 135.00 139.05 1bhj n PRO 275 Ca -0.18 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1bhj n PRO 275 Cb 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1bhj n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bhj n GLY 276 N 2.25 1.05 2.82 -1.23 0.00 -1.26 -4.89 105.19 103.92 1bhj n GLY 276 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1bhj n GLY 276 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bhj n GLN 277 N -2.00 0.00 -0.10 1.61 7.27 -0.56 -4.81 117.38 118.79 1bhj n GLN 277 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bhj n GLN 277 Cb 0.00 -1.03 0.27 0.00 2.41 0.00 0.00 30.24 31.90 1bhj n GLN 277 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bhj h ALA 278 N 1.67 1.41 -2.77 1.69 0.00 -1.90 -3.42 119.26 115.94 1bhj h ALA 278 Ca -0.33 -0.13 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 1bhj h ALA 278 Cb 1.17 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1bhj h ALA 278 CO 0.50 0.45 -0.06 -0.47 0.00 0.00 0.00 179.25 179.68 1bhj s TYR 279 N -5.38 3.43 -0.46 0.00 5.04 -1.26 -5.04 117.35 113.68 1bhj s TYR 279 Ca -0.09 0.85 -0.25 0.00 -2.44 0.00 0.00 57.07 55.14 1bhj s TYR 279 Cb 0.16 -2.64 0.03 0.00 0.35 0.00 0.00 41.96 39.86 1bhj s TYR 279 CO 0.77 -0.00 0.88 0.08 -1.34 0.00 0.00 175.55 175.94 1bhj s VAL 280 N 1.27 4.53 0.46 3.14 1.01 -1.26 -5.03 120.40 124.51 1bhj s VAL 280 Ca 0.26 0.65 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 1bhj s VAL 280 Cb -0.15 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1bhj s VAL 280 CO 0.10 -0.79 1.20 -2.84 0.00 0.00 0.00 175.10 172.77 1bhj s PRO 281 N 3.60 3.75 0.06 2.72 0.02 -1.26 -4.94 135.00 138.94 1bhj s PRO 281 Ca 0.35 1.87 0.24 0.00 0.02 0.00 0.00 61.00 63.47 1bhj s PRO 281 Cb -0.11 -2.46 0.24 0.00 0.02 0.00 0.00 34.50 32.19 1bhj s PRO 281 CO 0.25 -0.58 1.21 0.00 -0.33 0.00 0.00 177.00 177.54 1bhj s TYR 283 N -3.13 0.29 -0.32 0.00 1.51 -1.26 -2.54 117.35 111.90 1bhj s TYR 283 Ca 0.06 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 1bhj s TYR 283 Cb 0.15 -0.21 0.10 0.00 -0.11 0.00 0.00 41.96 41.89 1bhj s TYR 283 CO 0.75 -0.36 0.09 -0.06 -1.11 0.00 0.00 175.55 174.86 1bhj s PHE 284 N -2.92 2.24 -0.33 2.71 0.08 0.39 -4.19 117.98 115.96 1bhj s PHE 284 Ca -0.02 -2.07 -0.21 0.00 0.12 0.00 0.00 56.93 54.75 1bhj s PHE 284 Cb 0.01 -2.03 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1bhj s PHE 284 CO -0.06 -0.90 0.65 0.42 -0.10 0.00 0.00 175.22 175.23 1bhj s ILE 285 N 1.43 4.90 -0.23 0.64 1.01 -1.22 -0.97 121.20 126.77 1bhj s ILE 285 Ca 0.10 0.76 -0.11 0.00 0.00 0.00 0.00 60.65 61.40 1bhj s ILE 285 Cb -0.18 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1bhj s ILE 285 CO -0.21 -0.24 0.20 -1.00 0.00 0.00 0.00 174.94 173.70 1bhj s HIS 286 N 2.70 3.34 -0.25 3.97 3.76 0.29 -0.91 115.29 128.18 1bhj s HIS 286 Ca 0.26 0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1bhj s HIS 286 Cb -0.15 -2.30 0.04 0.00 1.11 0.00 0.00 32.58 31.28 1bhj s HIS 286 CO 0.13 0.08 -0.07 0.54 -0.85 0.00 0.00 174.74 174.57 1bhj s VAL 287 N 1.01 2.68 0.42 -0.90 0.11 -0.84 0.75 120.40 123.63 1bhj s VAL 287 Ca 0.10 -1.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.01 1bhj s VAL 287 Cb -0.13 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.30 1bhj s VAL 287 CO 0.04 0.12 0.57 -0.76 -3.33 0.00 0.00 175.10 171.75 1bhj s LEU 288 N 1.26 3.67 -0.25 2.54 2.01 0.23 -3.16 118.68 124.99 1bhj s LEU 288 Ca -0.02 -0.38 -0.02 0.00 0.01 0.00 0.00 54.13 53.72 1bhj s LEU 288 Cb -0.18 -2.68 0.13 0.00 0.01 0.00 0.00 46.19 43.48 1bhj s LEU 288 CO -0.05 -0.74 0.35 -0.75 1.01 0.00 0.00 176.35 176.17 1bhj s LYS 289 N -4.35 0.34 0.38 1.70 2.36 -0.69 -1.80 119.74 117.68 1bhj s LYS 289 Ca 0.54 0.32 -0.27 0.00 -2.55 0.00 0.00 55.97 54.01 1bhj s LYS 289 Cb -0.10 -0.57 -0.10 0.00 -1.05 0.00 0.00 37.83 36.02 1bhj s LYS 289 CO 0.33 -0.77 1.35 0.21 1.55 0.00 0.00 175.35 178.02 1bhj s LYS 290 N 2.49 4.08 -0.13 4.03 2.20 -0.90 -1.21 119.74 130.31 1bhj s LYS 290 Ca 0.11 2.28 -0.09 0.00 -0.36 0.00 0.00 55.97 57.91 1bhj s LYS 290 Cb -0.15 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.24 1bhj s LYS 290 CO -0.20 -0.44 0.02 1.15 -0.36 0.00 0.00 175.35 175.51 1bhj h THR 291 N 2.72 0.25 0.00 3.43 2.02 -1.80 -1.73 112.91 117.80 1bhj h THR 291 Ca -0.50 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1bhj h THR 291 Cb 1.24 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1bhj h THR 291 CO 0.64 0.09 0.00 0.61 0.37 0.00 0.00 175.52 177.22