#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 0.00 0.00 4.52 9.92 -1.26 -5.19 116.55 124.54 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 -2.74 -2.24 2.88 -1.26 -5.10 113.62 105.16 1bhj n SER 3 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1bhj n SER 3 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.40 0.00 -1.65 2.46 0.24 -1.26 -5.14 118.33 112.59 1bhj n VAL 4 Ca 0.00 -1.46 -0.42 0.00 -2.04 0.00 0.00 64.34 60.42 1bhj n VAL 4 Cb 0.00 1.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 1bhj n VAL 4 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1bhj s TYR 5 N 0.61 1.23 -0.10 6.34 2.02 -1.26 -4.99 117.35 121.21 1bhj s TYR 5 Ca 0.30 -0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1bhj s TYR 5 Cb 0.24 -4.12 -0.03 0.00 -0.40 0.00 0.00 41.96 37.65 1bhj s TYR 5 CO -0.22 -4.96 -0.01 0.50 -1.57 0.00 0.00 175.55 169.29 1bhj s ARG 6 N 5.24 3.10 0.16 -0.62 6.06 -1.26 -5.05 118.95 126.58 1bhj s ARG 6 Ca 0.93 -0.43 -0.28 0.00 -2.50 0.00 0.00 55.73 53.45 1bhj s ARG 6 Cb -0.39 -2.81 -0.01 0.00 0.06 0.00 0.00 34.95 31.81 1bhj s ARG 6 CO 0.39 0.61 1.55 1.15 -2.50 0.00 0.00 175.30 176.51 1bhj h THR 7 N 4.34 0.03 -4.08 4.11 2.02 -2.07 -3.43 112.91 113.83 1bhj h THR 7 Ca -0.47 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.14 1bhj h THR 7 Cb 1.19 0.03 -0.24 0.00 -1.74 0.00 0.00 68.15 67.39 1bhj h THR 7 CO 0.56 0.00 -0.83 -0.60 0.37 0.00 0.00 175.52 175.02 1bhj s ARG 8 N -5.72 1.28 0.78 6.66 3.52 -1.26 -5.12 118.95 119.09 1bhj s ARG 8 Ca -0.14 -1.02 -0.15 0.00 -0.13 0.00 0.00 55.73 54.30 1bhj s ARG 8 Cb 0.12 -1.45 0.04 0.00 -1.56 0.00 0.00 34.95 32.10 1bhj s ARG 8 CO 0.64 0.36 0.98 0.43 -0.81 0.00 0.00 175.30 176.90 1bhj n SER 9 N 1.57 0.34 -4.67 -2.12 7.64 -1.26 -4.88 113.62 110.24 1bhj n SER 9 Ca -0.18 0.60 -0.43 0.00 1.01 0.00 0.00 58.87 59.87 1bhj n SER 9 Cb 0.53 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.30 1bhj n SER 9 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1bhj s LEU 10 N -3.75 4.16 0.00 -3.43 2.96 -1.26 -3.39 118.68 113.97 1bhj s LEU 10 Ca 0.71 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1bhj s LEU 10 Cb -0.31 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.84 1bhj s LEU 10 CO 0.53 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 1bhj n GLY 11 N 3.41 0.91 3.38 7.98 0.00 -1.26 -5.09 105.19 114.51 1bhj n GLY 11 Ca 0.12 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 2.19 0.43 1.61 -7.23 -1.22 -5.13 120.40 109.05 1bhj s VAL 12 Ca 0.00 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1bhj s VAL 12 Cb 0.00 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1bhj s VAL 12 CO 0.00 -0.02 0.04 0.00 -0.31 0.00 0.00 175.10 174.80 1bhj s ALA 13 N -1.33 3.30 0.01 1.32 0.00 -1.26 -4.68 121.76 119.12 1bhj s ALA 13 Ca 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1bhj s ALA 13 Cb -0.09 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1bhj s ALA 13 CO 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 175.76 175.66 1bhj s ALA 14 N -2.96 0.08 0.30 0.00 0.00 -1.26 -5.13 121.76 112.78 1bhj s ALA 14 Ca 0.23 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.60 1bhj s ALA 14 Cb 0.06 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1bhj s ALA 14 CO 0.12 -0.08 1.06 -1.83 0.00 0.00 0.00 175.76 175.03 1bhj s GLU 15 N -0.76 4.57 0.00 0.00 1.03 -1.26 -3.33 118.70 118.95 1bhj s GLU 15 Ca -0.08 1.69 0.00 0.00 0.03 0.00 0.00 54.97 56.61 1bhj s GLU 15 Cb -0.05 -3.06 0.00 0.00 -0.80 0.00 0.00 34.13 30.22 1bhj s GLU 15 CO -0.00 0.19 0.00 0.41 -1.33 0.00 0.00 175.26 174.52 1bhj n GLY 16 N 1.05 3.00 3.53 -3.83 0.00 -1.26 -5.03 105.19 102.64 1bhj n GLY 16 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.77 3.68 0.85 -0.61 -4.36 -1.21 -5.11 121.20 111.67 1bhj s ILE 17 Ca 0.00 -0.46 -0.14 0.00 -0.26 0.00 0.00 60.65 59.79 1bhj s ILE 17 Cb 0.00 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.19 1bhj s ILE 17 CO 0.00 0.56 0.60 -2.65 0.24 0.00 0.00 174.94 173.69 1bhj n PRO 18 N 2.79 -0.02 -2.33 0.37 -0.02 -1.26 -4.53 135.00 129.99 1bhj n PRO 18 Ca -0.18 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.00 1bhj n PRO 18 Cb 0.53 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.87 6.00 0.00 2.55 1.01 -1.26 -4.88 116.67 118.22 1bhj s ASP 19 Ca 0.63 2.15 0.00 0.00 0.71 0.00 0.00 52.55 56.03 1bhj s ASP 19 Cb -0.27 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.08 1bhj s ASP 19 CO 0.61 -1.03 0.00 0.00 0.21 0.00 0.00 175.17 174.97 1bhj n GLN 20 N -0.99 0.00 -0.45 8.23 1.13 -1.26 -1.77 117.38 122.27 1bhj n GLN 20 Ca 0.10 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.24 1bhj n GLN 20 Cb 0.51 0.00 0.27 0.00 0.11 0.00 0.00 30.24 31.13 1bhj n GLN 20 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bhj n TYR 21 N -0.47 1.05 0.04 1.08 4.01 -1.26 -4.66 117.16 116.93 1bhj n TYR 21 Ca 0.00 -0.68 0.22 0.00 -0.16 0.00 0.00 57.90 57.28 1bhj n TYR 21 Cb 0.00 -0.22 0.68 0.00 -0.31 0.00 0.00 39.34 39.49 1bhj n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bhj h ALA 22 N 2.74 2.26 0.00 -0.72 0.00 -1.73 -2.78 119.26 119.03 1bhj h ALA 22 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bhj h ALA 22 Cb 1.27 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1bhj h ALA 22 CO 0.18 -0.88 -0.45 -3.47 0.00 0.00 0.00 179.25 174.63 1bhj n ASP 23 N -3.57 1.71 -4.67 0.00 2.03 -1.26 -4.71 116.55 106.08 1bhj n ASP 23 Ca 0.10 -3.46 -0.30 0.00 0.52 0.00 0.00 54.79 51.66 1bhj n ASP 23 Cb 0.80 -0.47 0.17 0.00 -0.72 0.00 0.00 41.12 40.90 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 -2.95 1.61 0.00 0.27 0.00 -1.05 -4.82 107.32 100.38 1bhj s GLY 24 Ca 0.35 0.00 0.22 0.00 0.00 0.00 0.00 44.72 45.29 1bhj s GLY 24 CO -0.06 0.53 1.71 -2.21 0.00 0.00 0.00 173.10 173.07 1bhj n GLU 25 N -4.15 0.41 -0.03 2.90 4.07 -1.26 -2.22 120.64 120.36 1bhj n GLU 25 Ca 0.07 0.06 -0.11 0.00 -0.06 0.00 0.00 57.16 57.11 1bhj n GLU 25 Cb 0.55 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.28 1bhj n GLU 25 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bhj n ALA 26 N -1.22 1.38 0.06 4.31 0.00 -1.26 -3.97 120.51 119.81 1bhj n ALA 26 Ca 0.12 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 1bhj n ALA 26 Cb 0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 1bhj n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bhj h ALA 27 N 0.79 0.40 -0.78 0.00 0.00 -1.74 -2.65 119.26 115.28 1bhj h ALA 27 Ca -0.36 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 53.87 1bhj h ALA 27 Cb 2.05 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 1bhj h ALA 27 CO 0.07 0.80 0.51 0.00 0.00 0.00 0.00 179.25 180.63 1bhj h ARG 28 N 0.25 1.00 0.21 0.00 3.08 -1.63 -0.79 114.38 116.50 1bhj h ARG 28 Ca -0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1bhj h ARG 28 Cb 1.53 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1bhj h ARG 28 CO 0.16 0.66 -0.10 -0.39 -1.07 0.00 0.00 179.97 179.23 1bhj h VAL 29 N 1.03 0.69 -1.39 2.04 -1.51 -1.69 -2.85 116.25 112.58 1bhj h VAL 29 Ca 0.29 -1.01 0.40 0.00 -1.23 0.00 0.00 66.70 65.15 1bhj h VAL 29 Cb -0.08 1.15 -0.06 0.00 -2.13 0.00 0.00 31.29 30.17 1bhj h VAL 29 CO -0.08 0.18 0.99 -0.25 -1.23 0.00 0.00 177.57 177.18 1bhj h TRP 30 N -0.90 0.06 -0.08 5.19 7.01 -1.39 0.66 115.95 126.50 1bhj h TRP 30 Ca -0.03 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 1bhj h TRP 30 Cb 0.50 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1bhj h TRP 30 CO 0.07 -0.01 -0.05 1.96 -2.79 0.00 0.00 178.44 177.62 1bhj h GLN 31 N 0.03 0.17 -0.94 2.65 4.20 -1.06 -0.85 115.11 119.31 1bhj h GLN 31 Ca 0.67 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 59.25 1bhj h GLN 31 Cb 2.63 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 30.37 1bhj h GLN 31 CO -0.04 0.57 0.07 1.47 -0.67 0.00 0.00 178.83 180.23 1bhj n LEU 32 N -4.74 2.94 0.00 1.46 -0.00 0.22 -2.93 117.00 113.95 1bhj n LEU 32 Ca -0.07 -1.50 0.00 0.00 -0.00 0.00 0.00 56.01 54.44 1bhj n LEU 32 Cb 0.28 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1bhj n LEU 32 CO 0.36 0.47 -0.49 0.00 -0.00 0.00 0.00 177.39 177.73 1bhj n TYR 33 N 0.13 0.00 0.97 1.47 9.36 -0.56 -3.46 117.16 125.06 1bhj n TYR 33 Ca 0.10 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.41 1bhj n TYR 33 Cb 0.62 0.01 0.48 0.00 -0.63 0.00 0.00 39.34 39.82 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 -2.83 0.24 0.00 2.97 -5.35 -0.35 -2.61 119.36 111.43 1bhj n ILE 34 Ca 0.00 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1bhj n ILE 34 Cb 0.49 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 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 0.13 0.08 2.57 3.28 0.00 -1.15 -4.81 105.19 105.29 1bhj n GLY 35 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1bhj n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bhj n ASP 36 N -1.05 7.61 0.00 1.61 9.92 -1.07 -3.54 116.55 130.03 1bhj n ASP 36 Ca 0.00 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.45 1bhj n ASP 36 Cb 0.00 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1bhj n ASP 36 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1bhj n THR 37 N -0.76 0.00 -1.72 -3.53 5.66 -1.25 -3.31 114.28 109.36 1bhj n THR 37 Ca 0.59 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.29 1bhj n THR 37 Cb 0.49 -0.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.21 1bhj n THR 37 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1bhj s ARG 38 N -1.25 2.14 -0.42 1.09 3.00 -1.23 -3.46 118.95 118.82 1bhj s ARG 38 Ca 0.00 0.82 0.05 0.00 0.00 0.00 0.00 55.73 56.60 1bhj s ARG 38 Cb 0.00 -4.65 0.32 0.00 0.00 0.00 0.00 34.95 30.62 1bhj s ARG 38 CO 0.00 -3.46 1.21 0.45 0.00 0.00 0.00 175.30 173.50 1bhj n SER 39 N 15.70 -1.98 -2.97 0.23 2.88 -1.26 -5.01 113.62 121.21 1bhj n SER 39 Ca 0.36 -3.07 -0.32 0.00 -1.33 0.00 0.00 58.87 54.51 1bhj n SER 39 Cb 0.51 1.67 -0.02 0.00 -0.75 0.00 0.00 64.21 65.62 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 0.43 0.00 -2.91 -1.46 0.63 -1.26 -3.24 116.66 108.86 1bhj n ARG 40 Ca 0.02 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.54 1bhj n ARG 40 Cb 0.72 -0.68 -0.04 0.00 0.45 0.00 0.00 32.46 32.91 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 -0.79 4.92 0.30 5.15 2.01 0.44 -4.82 115.64 122.86 1bhj s THR 41 Ca 0.43 1.63 0.05 0.00 0.31 0.00 0.00 61.69 64.11 1bhj s THR 41 Cb -0.59 -4.13 0.30 0.00 0.01 0.00 0.00 72.50 68.09 1bhj s THR 41 CO 0.39 0.10 1.79 0.00 -0.69 0.00 0.00 174.62 176.21 1bhj h ALA 42 N 7.13 1.66 -0.80 7.40 0.00 -1.90 0.47 119.26 133.22 1bhj h ALA 42 Ca -0.34 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1bhj h ALA 42 Cb 1.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1bhj h ALA 42 CO 0.81 -0.01 0.42 0.93 0.00 0.00 0.00 179.25 181.39 1bhj h GLU 43 N 0.80 1.12 0.51 0.00 3.07 -1.93 -0.65 114.58 117.50 1bhj h GLU 43 Ca 0.56 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 1bhj h GLU 43 Cb 0.84 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1bhj h GLU 43 CO -0.36 0.84 -0.24 -0.92 -1.40 0.00 0.00 179.01 176.93 1bhj h TYR 44 N 1.13 -0.63 -0.50 4.33 3.20 -0.41 -0.71 116.97 123.37 1bhj h TYR 44 Ca 0.28 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 1bhj h TYR 44 Cb 0.06 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1bhj h TYR 44 CO 0.01 -0.39 -0.41 -0.22 -1.64 0.00 0.00 178.16 175.50 1bhj h LYS 45 N -1.03 -0.15 -0.97 1.82 3.64 -0.76 -0.61 116.57 118.52 1bhj h LYS 45 Ca -0.07 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1bhj h LYS 45 Cb 0.52 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 1bhj h LYS 45 CO 0.11 -0.10 0.62 0.00 -2.27 0.00 0.00 179.45 177.81 1bhj h ALA 46 N -0.17 1.59 0.27 5.00 0.00 -1.20 -1.35 119.26 123.40 1bhj h ALA 46 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1bhj h ALA 46 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bhj h ALA 46 CO -0.55 0.17 -0.13 2.35 0.00 0.00 0.00 179.25 181.10 1bhj h TRP 47 N 0.93 -0.33 0.38 0.00 7.01 0.25 -2.30 115.95 121.90 1bhj h TRP 47 Ca 0.48 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.46 1bhj h TRP 47 Cb 0.51 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1bhj h TRP 47 CO -0.00 0.03 -0.24 1.25 -2.79 0.00 0.00 178.44 176.69 1bhj h LEU 48 N -0.80 -0.60 0.00 0.65 5.85 -1.06 -1.29 115.31 118.07 1bhj h LEU 48 Ca -0.04 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1bhj h LEU 48 Cb 0.51 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1bhj h LEU 48 CO 0.06 -0.38 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.50 1bhj h LEU 49 N -0.60 -0.64 -0.94 2.25 4.07 -1.36 0.31 115.31 118.40 1bhj h LEU 49 Ca -0.04 0.07 0.20 0.00 0.08 0.00 0.00 57.88 58.19 1bhj h LEU 49 Cb 0.49 0.24 -0.18 0.00 1.08 0.00 0.00 40.66 42.30 1bhj h LEU 49 CO 0.04 -0.20 -0.19 1.23 -1.08 0.00 0.00 178.44 178.24 1bhj h GLY 50 N -0.26 0.76 1.17 0.83 0.00 -1.35 0.28 103.07 104.50 1bhj h GLY 50 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1bhj h GLY 50 CO -0.14 -0.38 0.08 -2.00 0.00 0.00 0.00 176.54 174.11 1bhj h LEU 51 N 0.00 0.97 -0.31 3.11 5.85 -0.88 0.77 115.31 124.82 1bhj h LEU 51 Ca 0.47 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1bhj h LEU 51 Cb 0.76 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1bhj h LEU 51 CO -0.95 0.98 0.12 0.25 -0.34 0.00 0.00 178.44 178.49 1bhj h LEU 52 N 0.95 0.43 0.15 2.25 5.85 0.15 -2.56 115.31 122.54 1bhj h LEU 52 Ca 0.19 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1bhj h LEU 52 Cb 0.43 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1bhj h LEU 52 CO 0.01 0.49 -0.07 0.03 -0.34 0.00 0.00 178.44 178.56 1bhj h ARG 53 N 0.35 -0.20 -0.98 1.25 3.08 -0.32 -2.50 114.38 115.06 1bhj h ARG 53 Ca 0.10 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.36 1bhj h ARG 53 Cb 0.19 0.05 -0.19 0.00 0.08 0.00 0.00 29.97 30.10 1bhj h ARG 53 CO -0.01 0.12 -0.25 0.37 -1.07 0.00 0.00 179.97 179.13 1bhj h GLN 54 N -0.53 -0.00 -0.08 0.04 5.75 0.66 1.00 115.11 121.94 1bhj h GLN 54 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1bhj h GLN 54 Cb 0.41 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1bhj h GLN 54 CO 0.03 -0.00 0.00 0.72 -2.65 0.00 0.00 178.83 176.93 1bhj n HIS 55 N -5.62 0.09 -3.86 3.99 8.25 -0.98 -4.96 115.22 112.14 1bhj n HIS 55 Ca 0.16 -0.05 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 1bhj n HIS 55 Cb 0.49 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 1.14 -0.46 3.78 -1.41 0.00 0.34 -4.99 105.19 103.60 1bhj n GLY 56 Ca 0.18 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 3.01 0.00 -2.90 0.00 8.25 -1.26 -4.77 115.22 117.55 1bhj n HIS 58 Ca -0.17 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.86 1bhj n HIS 58 Cb 0.53 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.19 3.40 0.21 -0.41 3.52 -1.26 -0.40 118.95 121.82 1bhj s ARG 59 Ca -0.11 -1.39 -0.05 0.00 -0.13 0.00 0.00 55.73 54.04 1bhj s ARG 59 Cb 0.03 -4.66 -0.06 0.00 -1.56 0.00 0.00 34.95 28.71 1bhj s ARG 59 CO 0.24 -1.79 0.47 0.08 -0.81 0.00 0.00 175.30 173.49 1bhj s VAL 60 N 3.24 5.07 -0.11 7.11 1.01 -0.76 -1.21 120.40 134.75 1bhj s VAL 60 Ca 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1bhj s VAL 60 Cb -0.10 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1bhj s VAL 60 CO -0.02 -0.12 -0.04 -0.22 0.00 0.00 0.00 175.10 174.71 1bhj s LEU 61 N -3.03 1.02 -0.76 3.92 2.96 -0.71 -2.16 118.68 119.92 1bhj s LEU 61 Ca 0.43 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.88 1bhj s LEU 61 Cb -0.11 -0.69 0.19 0.00 0.50 0.00 0.00 46.19 46.08 1bhj s LEU 61 CO 0.26 -0.17 0.73 -0.62 -1.32 0.00 0.00 176.35 175.22 1bhj s ASP 62 N 1.81 6.60 0.00 3.68 -1.08 -0.63 -2.04 116.67 125.01 1bhj s ASP 62 Ca 0.04 -2.39 0.02 0.00 -0.52 0.00 0.00 52.55 49.70 1bhj s ASP 62 Cb -0.13 -2.23 0.11 0.00 -1.46 0.00 0.00 42.92 39.21 1bhj s ASP 62 CO -0.07 -0.69 0.95 1.33 0.52 0.00 0.00 175.17 177.20 1bhj n VAL 63 N 4.43 0.00 -2.69 1.11 0.24 -1.15 0.03 118.33 120.29 1bhj n VAL 63 Ca 0.07 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.29 1bhj n VAL 63 Cb 0.45 -0.09 0.04 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.53 3.14 -0.03 2.33 0.00 -1.18 -4.57 120.51 119.67 1bhj n ALA 64 Ca 0.01 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1bhj n ALA 64 Cb 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.00 0.89 0.00 0.00 0.00 -1.26 -2.48 105.19 101.33 1bhj n GLY 66 Ca 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.42 1bhj n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bhj n THR 67 N 0.00 0.11 -0.91 2.61 -2.24 -1.26 -3.51 114.28 109.09 1bhj n THR 67 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1bhj n THR 67 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1bhj n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bhj n GLY 68 N 0.32 0.88 0.35 3.38 0.00 -1.04 -3.68 105.19 105.41 1bhj n GLY 68 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.33 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 0.13 0.18 1.61 -1.51 -1.90 -0.80 116.25 113.96 1bhj h VAL 69 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1bhj h VAL 69 Cb 0.00 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1bhj h VAL 69 CO 0.00 0.00 -0.08 0.44 -1.23 0.00 0.00 177.57 176.70 1bhj h ASP 70 N 0.00 -0.20 -0.92 4.19 3.32 -1.90 -3.35 116.42 117.57 1bhj h ASP 70 Ca 0.07 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.28 1bhj h ASP 70 Cb 0.82 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.33 1bhj h ASP 70 CO -0.00 0.04 0.51 0.28 -1.72 0.00 0.00 179.24 178.36 1bhj h SER 71 N -0.61 0.66 -0.42 6.45 0.02 -1.75 -1.44 113.55 116.47 1bhj h SER 71 Ca -0.02 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.14 1bhj h SER 71 Cb 0.18 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1bhj h SER 71 CO 0.04 0.27 0.50 0.40 -1.14 0.00 0.00 176.83 176.90 1bhj h ILE 72 N 0.71 0.31 0.00 3.27 2.04 -1.30 0.45 117.51 122.98 1bhj h ILE 72 Ca 0.50 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 66.13 1bhj h ILE 72 Cb 0.71 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1bhj h ILE 72 CO -0.36 0.00 -1.55 0.00 0.00 0.00 0.00 178.15 176.25 1bhj h MET 73 N 0.00 0.00 -0.05 2.37 -0.00 -1.38 -2.29 114.93 113.58 1bhj h MET 73 Ca 0.20 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.69 1bhj h MET 73 Cb 1.19 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.80 1bhj h MET 73 CO -0.00 0.44 -0.78 -0.07 -0.00 0.00 0.00 176.91 176.50 1bhj h LEU 74 N 0.00 0.77 0.48 -0.10 3.38 -0.87 -1.07 115.31 117.90 1bhj h LEU 74 Ca -0.22 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 1bhj h LEU 74 Cb 1.83 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1bhj h LEU 74 CO 0.07 1.37 -0.42 0.58 0.09 0.00 0.00 178.44 180.13 1bhj h VAL 75 N 0.25 0.00 -1.12 1.22 2.07 -0.35 -0.13 116.25 118.19 1bhj h VAL 75 Ca -0.08 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.76 1bhj h VAL 75 Cb 1.44 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1bhj h VAL 75 CO 0.16 0.00 0.79 -0.33 0.02 0.00 0.00 177.57 178.21 1bhj h GLU 76 N -0.88 0.05 -0.80 1.57 5.08 -1.39 0.17 114.58 118.38 1bhj h GLU 76 Ca -0.06 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1bhj h GLU 76 Cb 0.74 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1bhj h GLU 76 CO -0.01 0.03 0.09 0.39 -1.00 0.00 0.00 179.01 178.51 1bhj n GLU 77 N -4.25 3.07 -0.61 2.33 -0.58 -0.20 -4.92 120.64 115.48 1bhj n GLU 77 Ca 0.24 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 1bhj n GLU 77 Cb 1.15 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.18 1.33 3.75 0.62 0.00 0.60 -4.99 105.19 106.68 1bhj n GLY 78 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.14 2.36 -1.25 1.61 0.08 -0.38 -4.90 117.98 112.34 1bhj s PHE 79 Ca 0.00 1.54 -0.14 0.00 0.12 0.00 0.00 56.93 58.44 1bhj s PHE 79 Cb 0.00 -3.44 0.14 0.00 -0.57 0.00 0.00 43.02 39.15 1bhj s PHE 79 CO 0.00 -2.22 1.60 0.43 -0.10 0.00 0.00 175.22 174.94 1bhj n SER 80 N -1.89 5.08 -4.80 1.36 7.64 0.46 -4.57 113.62 116.91 1bhj n SER 80 Ca 0.13 -2.98 -0.39 0.00 1.01 0.00 0.00 58.87 56.65 1bhj n SER 80 Cb 0.50 -1.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 1bhj n SER 80 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bhj s VAL 81 N 2.09 4.69 -0.16 0.44 1.01 -1.26 -1.83 120.40 125.38 1bhj s VAL 81 Ca 0.45 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 1bhj s VAL 81 Cb 0.01 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1bhj s VAL 81 CO 0.02 0.53 0.02 0.42 0.00 0.00 0.00 175.10 176.08 1bhj s THR 82 N -0.99 0.58 -0.23 3.92 -4.23 -0.92 -3.23 115.64 110.55 1bhj s THR 82 Ca 0.31 -0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1bhj s THR 82 Cb -0.20 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1bhj s THR 82 CO 0.20 -0.06 0.10 -0.44 -0.54 0.00 0.00 174.62 173.88 1bhj s SER 83 N 1.85 5.60 0.34 3.99 0.01 0.05 -1.60 113.70 123.94 1bhj s SER 83 Ca 0.00 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.33 1bhj s SER 83 Cb -0.16 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 64.01 1bhj s SER 83 CO -0.07 0.05 -0.09 -0.69 0.41 0.00 0.00 173.24 172.84 1bhj s VAL 84 N 1.13 2.23 -0.06 3.43 1.01 0.10 -2.26 120.40 125.99 1bhj s VAL 84 Ca 0.05 -2.20 -0.31 0.00 0.00 0.00 0.00 61.98 59.52 1bhj s VAL 84 Cb -0.14 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.70 1bhj s VAL 84 CO 0.04 -0.20 1.07 -0.62 0.00 0.00 0.00 175.10 175.39 1bhj s ASP 85 N -3.61 -0.22 -0.17 3.32 -1.08 -1.25 0.29 116.67 113.96 1bhj s ASP 85 Ca 0.32 -0.06 0.13 0.00 -0.52 0.00 0.00 52.55 52.42 1bhj s ASP 85 Cb 0.03 0.28 -0.23 0.00 -1.46 0.00 0.00 42.92 41.53 1bhj s ASP 85 CO 0.16 -0.47 0.17 0.00 0.52 0.00 0.00 175.17 175.56 1bhj n ALA 86 N -0.24 1.45 -2.64 3.66 0.00 -0.58 0.73 120.51 122.88 1bhj n ALA 86 Ca -0.05 -1.13 -0.42 0.00 0.00 0.00 0.00 53.44 51.84 1bhj n ALA 86 Cb 0.60 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1bhj n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bhj s SER 87 N -5.90 6.89 0.42 0.00 0.15 -1.26 -4.81 113.70 109.19 1bhj s SER 87 Ca -0.14 1.09 0.23 0.00 0.70 0.00 0.00 55.95 57.83 1bhj s SER 87 Cb 0.07 -2.46 0.52 0.00 -1.71 0.00 0.00 66.02 62.44 1bhj s SER 87 CO 0.79 -0.58 1.66 0.44 1.20 0.00 0.00 173.24 176.75 1bhj h ASP 88 N 7.68 0.00 0.91 5.45 3.32 -1.99 -2.82 116.42 128.96 1bhj h ASP 88 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1bhj h ASP 88 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1bhj h ASP 88 CO 0.91 0.14 0.00 0.50 -1.72 0.00 0.00 179.24 179.06 1bhj h LYS 89 N 0.00 0.00 0.00 3.56 3.64 -2.00 -2.49 116.57 119.28 1bhj h LYS 89 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1bhj h LYS 89 Cb 0.97 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1bhj h LYS 89 CO 0.02 0.00 -1.61 -0.12 -2.27 0.00 0.00 179.45 175.46 1bhj n MET 90 N -2.84 0.56 -0.35 1.90 1.56 -1.13 -4.40 117.12 112.42 1bhj n MET 90 Ca 0.01 0.44 0.05 0.00 -0.27 0.00 0.00 57.70 57.92 1bhj n MET 90 Cb 0.28 -1.63 0.20 0.00 2.15 0.00 0.00 33.22 34.21 1bhj n MET 90 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1bhj h LEU 91 N -1.00 0.90 -1.85 -0.89 4.07 -1.52 -0.66 115.31 114.36 1bhj h LEU 91 Ca -0.42 0.04 0.55 0.00 0.08 0.00 0.00 57.88 58.13 1bhj h LEU 91 Cb 1.31 -0.15 -0.09 0.00 1.08 0.00 0.00 40.66 42.81 1bhj h LEU 91 CO -0.25 0.52 1.31 1.17 -1.08 0.00 0.00 178.44 180.11 1bhj n LYS 92 N -4.61 -0.01 0.10 1.13 4.81 -0.94 0.15 118.16 118.78 1bhj n LYS 92 Ca 0.16 1.12 0.00 0.00 -0.87 0.00 0.00 58.31 58.72 1bhj n LYS 92 Cb 0.28 -2.49 -0.03 0.00 0.02 0.00 0.00 35.03 32.81 1bhj n LYS 92 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1bhj h TYR 93 N 0.00 0.00 0.14 5.64 0.05 -1.36 -2.54 116.97 118.89 1bhj h TYR 93 Ca 0.93 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 59.41 1bhj h TYR 93 Cb 3.58 0.00 0.02 0.00 1.01 0.00 0.00 36.73 41.35 1bhj h TYR 93 CO -0.00 0.60 -1.26 0.00 -1.05 0.00 0.00 178.16 176.44 1bhj h ALA 94 N 1.40 0.02 0.00 3.88 0.00 0.12 -2.95 119.26 121.74 1bhj h ALA 94 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1bhj h ALA 94 Cb 1.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1bhj h ALA 94 CO 0.07 0.76 0.00 -0.07 0.00 0.00 0.00 179.25 180.01 1bhj h LEU 95 N 0.21 0.00 -0.38 0.00 3.38 -1.43 -0.95 115.31 116.14 1bhj h LEU 95 Ca -0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1bhj h LEU 95 Cb 1.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 1bhj h LEU 95 CO 0.23 0.00 -0.80 0.50 0.09 0.00 0.00 178.44 178.46 1bhj h LYS 96 N 0.00 0.00 0.08 1.13 3.64 -1.42 -2.18 116.57 117.82 1bhj h LYS 96 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1bhj h LYS 96 Cb 0.85 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1bhj h LYS 96 CO 0.00 0.80 -1.04 1.49 -2.27 0.00 0.00 179.45 178.43 1bhj h GLU 97 N 0.00 0.17 -0.07 1.90 4.57 -1.36 -3.11 114.58 116.68 1bhj h GLU 97 Ca -0.01 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1bhj h GLU 97 Cb 1.43 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 30.07 1bhj h GLU 97 CO 0.10 1.14 -0.30 -0.09 -1.18 0.00 0.00 179.01 178.69 1bhj h ARG 98 N -0.55 -0.39 -0.49 1.92 2.43 -1.21 -0.34 114.38 115.74 1bhj h ARG 98 Ca -0.23 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1bhj h ARG 98 Cb 1.53 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 31.10 1bhj h ARG 98 CO 0.02 -0.26 0.04 2.35 -1.51 0.00 0.00 179.97 180.61 1bhj h TRP 99 N -0.41 0.04 -0.87 2.20 2.91 -1.55 0.63 115.95 118.91 1bhj h TRP 99 Ca 0.08 0.03 0.22 0.00 1.13 0.00 0.00 58.89 60.35 1bhj h TRP 99 Cb 0.53 0.06 -0.13 0.00 -0.51 0.00 0.00 29.16 29.10 1bhj h TRP 99 CO -0.36 -0.07 0.33 -0.91 -1.03 0.00 0.00 178.44 176.40 1bhj h ASN 100 N 0.16 0.21 -0.34 2.65 4.21 -1.05 -0.63 115.58 120.79 1bhj h ASN 100 Ca 0.25 0.17 -0.11 0.00 1.21 0.00 0.00 56.30 57.82 1bhj h ASN 100 Cb 0.36 0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 37.67 1bhj h ASN 100 CO -0.38 -0.05 0.00 0.54 -1.29 0.00 0.00 177.43 176.25 1bhj n ARG 101 N -5.11 2.39 0.33 0.81 1.74 -0.29 -4.65 116.66 111.88 1bhj n ARG 101 Ca 0.21 -3.00 0.21 0.00 -0.77 0.00 0.00 57.85 54.49 1bhj n ARG 101 Cb 0.64 -1.85 1.11 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.08 5.56 0.11 0.18 -0.91 114.38 120.63 1bhj h ARG 102 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1bhj h ARG 102 Cb 1.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.70 1bhj h ARG 102 CO 0.34 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.04 1bhj n LYS 103 N -3.13 0.77 -4.75 0.08 4.76 -1.26 -4.13 118.16 110.50 1bhj n LYS 103 Ca -0.03 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.08 1bhj n LYS 103 Cb 0.14 -1.04 -0.15 0.00 -1.84 0.00 0.00 35.03 32.14 1bhj n LYS 103 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1bhj s GLU 104 N -1.90 3.34 0.19 1.97 2.02 -0.35 -5.04 118.70 118.94 1bhj s GLU 104 Ca 0.00 -0.70 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 1bhj s GLU 104 Cb 0.00 -2.62 0.21 0.00 0.10 0.00 0.00 34.13 31.82 1bhj s GLU 104 CO 0.00 0.17 1.72 -1.35 0.02 0.00 0.00 175.26 175.83 1bhj h PRO 105 N 6.82 0.27 0.71 0.39 0.11 -1.87 0.20 132.00 138.63 1bhj h PRO 105 Ca -0.26 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1bhj h PRO 105 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1bhj h PRO 105 CO 0.55 0.18 -0.47 0.00 -0.21 0.00 0.00 178.00 178.05 1bhj h ALA 106 N 1.39 -1.24 -0.72 -0.75 0.00 -1.94 -1.04 119.26 114.96 1bhj h ALA 106 Ca 0.26 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1bhj h ALA 106 Cb 0.33 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1bhj h ALA 106 CO -0.31 -1.21 0.21 0.74 0.00 0.00 0.00 179.25 178.67 1bhj h PHE 107 N -1.12 0.33 -0.99 0.00 -1.00 -1.78 0.41 116.94 112.80 1bhj h PHE 107 Ca -0.09 0.04 0.11 0.00 2.81 0.00 0.00 57.97 60.84 1bhj h PHE 107 Cb 0.90 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 40.35 1bhj h PHE 107 CO -0.12 -0.04 0.62 0.22 -1.61 0.00 0.00 178.31 177.38 1bhj h ASP 108 N 0.32 0.91 0.00 2.17 3.58 -0.26 0.17 116.42 123.31 1bhj h ASP 108 Ca 0.40 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.90 1bhj h ASP 108 Cb 0.65 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1bhj h ASP 108 CO -0.46 0.49 0.00 0.29 -2.88 0.00 0.00 179.24 176.68 1bhj n LYS 109 N -4.62 0.85 -2.34 0.28 4.76 0.14 -4.81 118.16 112.41 1bhj n LYS 109 Ca 0.18 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.19 1bhj n LYS 109 Cb 0.34 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.00 2.64 -0.31 2.13 -0.00 0.60 -4.90 118.94 117.10 1bhj s TRP 110 Ca 0.30 0.83 -0.17 0.00 -0.00 0.00 0.00 56.10 57.06 1bhj s TRP 110 Cb 0.14 -3.66 -0.02 0.00 -0.00 0.00 0.00 33.47 29.94 1bhj s TRP 110 CO 0.23 -2.12 0.47 0.08 -0.00 0.00 0.00 176.95 175.61 1bhj s VAL 111 N 3.82 5.07 -0.30 5.86 1.01 -1.20 -5.03 120.40 129.65 1bhj s VAL 111 Ca 0.59 0.46 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1bhj s VAL 111 Cb -0.23 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.36 1bhj s VAL 111 CO 0.19 -0.07 -0.01 -0.63 0.00 0.00 0.00 175.10 174.58 1bhj s ILE 112 N 2.27 2.05 0.25 2.22 1.01 -1.26 -0.77 121.20 126.97 1bhj s ILE 112 Ca 0.18 -1.90 0.02 0.00 0.00 0.00 0.00 60.65 58.95 1bhj s ILE 112 Cb -0.16 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1bhj s ILE 112 CO 0.12 -0.35 0.20 -0.62 0.00 0.00 0.00 174.94 174.29 1bhj n GLU 113 N 4.41 1.09 -5.13 2.79 -0.58 -0.96 -5.02 120.64 117.24 1bhj n GLU 113 Ca -0.05 -1.55 -0.30 0.00 -0.42 0.00 0.00 57.16 54.84 1bhj n GLU 113 Cb 0.42 0.14 -0.17 0.00 -0.57 0.00 0.00 31.44 31.27 1bhj n GLU 113 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1bhj s GLU 114 N -3.04 2.52 0.00 3.49 8.01 -1.26 -3.83 118.70 124.59 1bhj s GLU 114 Ca 0.15 -0.81 -0.28 0.00 0.01 0.00 0.00 54.97 54.04 1bhj s GLU 114 Cb -0.01 -2.05 0.10 0.00 -4.31 0.00 0.00 34.13 27.86 1bhj s GLU 114 CO 0.10 0.27 0.85 0.00 0.01 0.00 0.00 175.26 176.49 1bhj s ALA 115 N 0.08 -1.80 -0.04 5.21 0.00 0.22 -4.86 121.76 120.58 1bhj s ALA 115 Ca -0.09 1.00 0.07 0.00 0.00 0.00 0.00 51.96 52.94 1bhj s ALA 115 Cb -0.15 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1bhj s ALA 115 CO 0.05 -0.65 -0.25 1.21 0.00 0.00 0.00 175.76 176.12 1bhj s ASN 116 N -2.35 2.99 0.40 0.00 3.84 -1.26 -1.53 114.94 117.03 1bhj s ASN 116 Ca 0.03 -0.48 0.16 0.00 0.21 0.00 0.00 52.86 52.78 1bhj s ASN 116 Cb -0.01 -0.61 1.03 0.00 -0.55 0.00 0.00 41.25 41.11 1bhj s ASN 116 CO -0.08 0.27 1.85 -0.50 -2.79 0.00 0.00 177.10 175.85 1bhj h TRP 117 N 5.83 0.61 0.00 0.43 6.55 -1.93 0.94 115.95 128.38 1bhj h TRP 117 Ca -0.36 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.49 1bhj h TRP 117 Cb 1.15 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 29.27 1bhj h TRP 117 CO 0.41 0.16 0.00 1.28 -1.05 0.00 0.00 178.44 179.25 1bhj n LEU 118 N -4.54 0.00 0.00 -4.49 4.77 -1.26 -3.36 117.00 108.12 1bhj n LEU 118 Ca 0.19 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1bhj n LEU 118 Cb 0.66 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1bhj n LEU 118 CO 0.30 -0.01 0.07 0.35 -1.33 0.00 0.00 177.39 176.77 1bhj n THR 119 N -1.18 0.01 -0.46 -5.08 -2.24 0.97 -4.90 114.28 101.40 1bhj n THR 119 Ca 0.16 -0.14 0.38 0.00 -2.27 0.00 0.00 64.05 62.19 1bhj n THR 119 Cb 0.18 1.71 0.64 0.00 -2.10 0.00 0.00 70.33 70.75 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 -0.00 0.17 0.07 3.22 7.94 0.29 -1.71 117.00 126.98 1bhj n LEU 120 Ca 0.00 1.23 -0.05 0.00 -1.11 0.00 0.00 56.01 56.08 1bhj n LEU 120 Cb 0.19 -0.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.50 1bhj n LEU 120 CO 0.00 -1.32 0.51 0.44 -1.11 0.00 0.00 177.39 175.90 1bhj h ASP 121 N 0.00 -0.41 -1.81 1.96 5.19 -1.86 -2.03 116.42 117.46 1bhj h ASP 121 Ca 0.81 0.04 -0.78 0.00 -0.62 0.00 0.00 57.03 56.48 1bhj h ASP 121 Cb 2.71 0.14 -0.20 0.00 0.18 0.00 0.00 39.33 42.16 1bhj h ASP 121 CO -0.38 -0.19 1.67 2.29 -3.12 0.00 0.00 179.24 179.52 1bhj n LYS 122 N -3.22 4.74 0.00 3.56 2.85 -0.69 -3.62 118.16 121.78 1bhj n LYS 122 Ca -0.03 -4.04 0.00 0.00 -1.05 0.00 0.00 58.31 53.19 1bhj n LYS 122 Cb 0.13 -2.60 0.00 0.00 -0.65 0.00 0.00 35.03 31.91 1bhj n LYS 122 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1bhj n ASP 123 N 1.36 0.00 -3.75 -5.58 9.92 -1.14 -5.02 116.55 112.35 1bhj n ASP 123 Ca 0.49 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.56 1bhj n ASP 123 Cb 0.28 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.59 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 -1.00 0.04 -0.18 2.53 1.01 -0.78 -4.93 120.40 117.10 1bhj s VAL 124 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1bhj s VAL 124 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 1bhj s VAL 124 CO 0.00 0.16 0.95 -2.16 0.00 0.00 0.00 175.10 174.05 1bhj s PRO 125 N 1.59 4.31 -0.26 2.72 0.04 -1.26 -4.69 135.00 137.45 1bhj s PRO 125 Ca -0.02 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.10 1bhj s PRO 125 Cb -0.13 -3.59 -0.13 0.00 0.04 0.00 0.00 34.50 30.70 1bhj s PRO 125 CO -0.03 -0.44 -0.27 0.00 0.04 0.00 0.00 177.00 176.30 1bhj n ALA 126 N 5.59 1.10 -0.10 8.56 0.00 -1.26 -4.96 120.51 129.44 1bhj n ALA 126 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1bhj n ALA 126 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1bhj n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bhj n GLY 127 N 1.30 0.99 0.00 0.00 0.00 -1.26 -2.06 105.19 104.16 1bhj n GLY 127 Ca -0.48 0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1bhj n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bhj n ASP 128 N 2.24 1.13 0.00 1.61 8.00 -1.26 -5.11 116.55 123.17 1bhj n ASP 128 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1bhj n ASP 128 Cb 0.00 1.48 0.00 0.00 -0.02 0.00 0.00 41.12 42.58 1bhj n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bhj n GLY 129 N 1.51 -1.71 3.88 0.44 0.00 -0.88 -4.34 105.19 104.10 1bhj n GLY 129 Ca -0.01 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.36 3.60 0.08 1.61 0.40 -1.03 -4.38 117.98 114.91 1bhj s PHE 130 Ca 0.00 1.19 -0.16 0.00 -0.60 0.00 0.00 56.93 57.37 1bhj s PHE 130 Cb 0.00 -2.63 -0.13 0.00 0.51 0.00 0.00 43.02 40.77 1bhj s PHE 130 CO 0.00 -0.58 1.32 -0.44 0.70 0.00 0.00 175.22 176.23 1bhj h ASP 131 N -0.11 0.74 -4.03 1.36 3.32 -1.49 -0.90 116.42 115.30 1bhj h ASP 131 Ca -0.45 -0.57 -0.37 0.00 0.02 0.00 0.00 57.03 55.67 1bhj h ASP 131 Cb 1.19 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 1bhj h ASP 131 CO 0.62 1.18 -0.74 0.00 -1.72 0.00 0.00 179.24 178.58 1bhj s ALA 132 N -3.98 1.43 -0.24 3.45 0.00 -1.21 0.50 121.76 121.71 1bhj s ALA 132 Ca -0.12 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 1bhj s ALA 132 Cb 0.07 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.30 1bhj s ALA 132 CO 0.84 0.01 0.30 0.08 0.00 0.00 0.00 175.76 176.99 1bhj s VAL 133 N -2.63 -0.46 0.19 0.00 1.01 -0.71 -1.74 120.40 116.06 1bhj s VAL 133 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1bhj s VAL 133 Cb -0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1bhj s VAL 133 CO 0.02 -0.24 0.40 0.27 0.00 0.00 0.00 175.10 175.54 1bhj s ILE 134 N 2.42 5.18 -0.40 2.22 -4.36 -0.86 -0.26 121.20 125.14 1bhj s ILE 134 Ca 0.10 -0.22 0.10 0.00 -0.26 0.00 0.00 60.65 60.37 1bhj s ILE 134 Cb -0.15 -3.70 0.38 0.00 1.25 0.00 0.00 42.46 40.23 1bhj s ILE 134 CO -0.19 -0.13 1.13 0.00 0.24 0.00 0.00 174.94 175.99 1bhj n LEU 136 N -0.10 0.00 0.00 0.00 4.32 -1.26 -3.09 117.00 116.87 1bhj n LEU 136 Ca 0.06 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.79 1bhj n LEU 136 Cb 0.77 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1bhj n LEU 136 CO 0.06 -1.24 0.00 0.61 -1.22 0.00 0.00 177.39 175.60 1bhj n GLY 137 N -2.05 1.03 2.46 -0.72 0.00 -1.26 -3.64 105.19 101.01 1bhj n GLY 137 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -4.12 0.15 1.61 5.15 -1.26 -4.92 115.26 111.86 1bhj n ASN 138 Ca 0.00 -0.16 -0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1bhj n ASN 138 Cb 0.00 -3.00 0.21 0.00 -0.53 0.00 0.00 39.78 36.46 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 -0.80 0.00 0.26 1.20 0.02 -1.77 -3.11 113.55 109.35 1bhj h SER 139 Ca -0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1bhj h SER 139 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1bhj h SER 139 CO 0.32 0.57 -0.11 0.15 -1.14 0.00 0.00 176.83 176.61 1bhj h PHE 140 N 0.00 0.00 0.00 3.45 3.57 -1.83 -2.10 116.94 120.03 1bhj h PHE 140 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1bhj h PHE 140 Cb 1.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1bhj h PHE 140 CO 0.00 0.11 0.00 0.00 -2.23 0.00 0.00 178.31 176.19 1bhj n ALA 141 N -2.34 2.02 0.08 2.41 0.00 -1.18 -2.83 120.51 118.67 1bhj n ALA 141 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1bhj n ALA 141 Cb 0.21 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 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 0.24 -3.11 0.00 3.86 -1.58 0.84 115.15 115.40 1bhj h HIS 142 Ca 0.00 -0.18 -0.56 0.00 -1.16 0.00 0.00 60.37 58.47 1bhj h HIS 142 Cb 0.04 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 1bhj h HIS 142 CO 0.00 1.15 0.71 -1.17 0.86 0.00 0.00 177.93 179.48 1bhj s LEU 143 N -6.89 4.21 0.68 2.43 2.96 -1.13 -4.83 118.68 116.11 1bhj s LEU 143 Ca -0.02 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1bhj s LEU 143 Cb 0.08 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.33 1bhj s LEU 143 CO 0.85 -0.59 0.94 -2.16 -1.32 0.00 0.00 176.35 174.07 1bhj s PRO 144 N 2.58 1.88 -0.59 0.98 0.04 -1.26 -4.64 135.00 134.00 1bhj s PRO 144 Ca 0.51 -1.06 0.04 0.00 0.04 0.00 0.00 61.00 60.53 1bhj s PRO 144 Cb -0.20 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.11 1bhj s PRO 144 CO 0.16 -1.27 0.34 0.34 0.04 0.00 0.00 177.00 176.61 1bhj s ASP 145 N -4.67 4.51 -0.01 6.66 2.15 -1.26 -4.83 116.67 119.22 1bhj s ASP 145 Ca 0.64 -3.31 -0.24 0.00 0.43 0.00 0.00 52.55 50.08 1bhj s ASP 145 Cb -0.06 -1.64 -0.17 0.00 -0.30 0.00 0.00 42.92 40.75 1bhj s ASP 145 CO 0.43 -0.18 1.12 0.77 -0.17 0.00 0.00 175.17 177.13 1bhj h SER 146 N 6.12 -0.26 -0.92 -0.34 4.64 -1.98 -3.13 113.55 117.69 1bhj h SER 146 Ca -0.00 -0.26 0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1bhj h SER 146 Cb 0.84 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.93 1bhj h SER 146 CO 0.70 0.18 0.61 0.11 -0.87 0.00 0.00 176.83 177.57 1bhj h LYS 147 N -0.76 0.34 0.00 4.77 1.79 -2.02 -3.45 116.57 117.24 1bhj h LYS 147 Ca -0.03 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1bhj h LYS 147 Cb 0.50 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1bhj h LYS 147 CO 0.05 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.06 1bhj n GLY 148 N -1.54 0.77 0.60 3.86 0.00 -1.18 -4.88 105.19 102.82 1bhj n GLY 148 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 3.07 -2.31 1.61 5.75 -1.26 -4.97 116.55 118.44 1bhj n ASP 149 Ca 0.00 -2.39 -0.05 0.00 -0.01 0.00 0.00 54.79 52.34 1bhj n ASP 149 Cb 0.00 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.06 -2.49 0.05 0.11 6.02 -1.26 -4.78 117.38 114.97 1bhj n GLN 150 Ca 0.13 0.25 0.14 0.00 -0.01 0.00 0.00 57.00 57.51 1bhj n GLN 150 Cb 0.56 -4.73 0.62 0.00 1.02 0.00 0.00 30.24 27.72 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 0.00 0.10 0.38 1.08 4.64 -1.96 -1.34 113.55 116.45 1bhj h SER 151 Ca -0.12 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 1bhj h SER 151 Cb 0.99 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1bhj h SER 151 CO 0.14 0.06 -0.95 -0.33 -0.87 0.00 0.00 176.83 174.88 1bhj h GLU 152 N 0.11 0.38 -0.48 4.77 5.08 -1.91 -1.75 114.58 120.78 1bhj h GLU 152 Ca 0.19 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1bhj h GLU 152 Cb 0.60 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1bhj h GLU 152 CO -0.02 1.10 0.27 0.45 -1.00 0.00 0.00 179.01 179.80 1bhj h HIS 153 N 0.21 0.49 -0.57 4.33 3.86 -1.58 0.60 115.15 122.49 1bhj h HIS 153 Ca -0.08 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1bhj h HIS 153 Cb 1.59 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.89 1bhj h HIS 153 CO 0.06 0.27 -0.02 0.00 0.86 0.00 0.00 177.93 179.09 1bhj h ARG 154 N 0.53 1.01 -0.25 2.45 3.08 -1.40 -0.52 114.38 119.28 1bhj h ARG 154 Ca 0.20 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1bhj h ARG 154 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1bhj h ARG 154 CO -0.11 1.00 0.01 1.25 -1.07 0.00 0.00 179.97 181.05 1bhj h LEU 155 N 0.92 0.42 -0.21 3.04 5.85 -0.51 0.11 115.31 124.93 1bhj h LEU 155 Ca 0.16 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1bhj h LEU 155 Cb 0.57 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1bhj h LEU 155 CO 0.03 0.62 0.01 0.00 -0.34 0.00 0.00 178.44 178.76 1bhj h ALA 156 N 0.82 0.19 -0.24 1.25 0.00 0.37 -1.51 119.26 120.14 1bhj h ALA 156 Ca 0.07 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1bhj h ALA 156 Cb 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bhj h ALA 156 CO 0.01 -0.42 -0.28 -0.07 0.00 0.00 0.00 179.25 178.49 1bhj h LEU 157 N 0.08 0.48 0.26 0.00 -0.00 -1.00 -0.25 115.31 114.88 1bhj h LEU 157 Ca 0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1bhj h LEU 157 Cb 0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1bhj h LEU 157 CO -0.15 0.75 -0.13 0.50 -0.00 0.00 0.00 178.44 179.41 1bhj h LYS 158 N 0.42 -0.34 -0.05 1.13 3.64 -0.74 0.94 116.57 121.57 1bhj h LYS 158 Ca 0.06 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1bhj h LYS 158 Cb 0.71 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 1bhj h LYS 158 CO 0.05 -0.07 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.06 1bhj h ASN 159 N -0.59 -0.60 0.11 4.20 -0.26 -1.23 0.89 115.58 118.09 1bhj h ASN 159 Ca -0.04 0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1bhj h ASN 159 Cb 0.43 0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.94 1bhj h ASN 159 CO 0.06 -0.26 -0.12 0.40 -1.06 0.00 0.00 177.43 176.45 1bhj h ILE 160 N -0.30 1.10 0.06 2.81 2.04 -0.98 -2.04 117.51 120.19 1bhj h ILE 160 Ca 0.07 -0.45 -0.25 0.00 1.00 0.00 0.00 64.86 65.23 1bhj h ILE 160 Cb 0.40 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1bhj h ILE 160 CO -0.22 0.13 -1.07 0.00 0.00 0.00 0.00 178.15 176.99 1bhj h ALA 161 N 1.86 0.23 0.00 1.87 0.00 -0.16 -3.07 119.26 119.98 1bhj h ALA 161 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1bhj h ALA 161 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bhj h ALA 161 CO 0.02 0.84 0.01 0.66 0.00 0.00 0.00 179.25 180.77 1bhj h SER 162 N 0.19 0.00 -0.15 0.00 4.64 -0.10 -0.13 113.55 118.00 1bhj h SER 162 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1bhj h SER 162 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1bhj h SER 162 CO 0.19 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.38 1bhj n MET 163 N -2.70 1.50 -4.10 4.77 2.00 -1.12 -4.82 117.12 112.66 1bhj n MET 163 Ca -0.02 -0.76 -0.35 0.00 0.00 0.00 0.00 57.70 56.57 1bhj n MET 163 Cb 0.06 -1.29 -0.12 0.00 0.00 0.00 0.00 33.22 31.88 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 -1.80 4.26 0.43 2.03 1.01 -0.06 -2.46 120.40 123.80 1bhj s VAL 164 Ca 0.25 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1bhj s VAL 164 Cb 0.13 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 1bhj s VAL 164 CO 0.19 0.44 1.11 -0.60 0.00 0.00 0.00 175.10 176.25 1bhj s ARG 165 N 0.71 3.97 0.26 2.72 3.52 -0.34 -4.83 118.95 124.96 1bhj s ARG 165 Ca 0.01 1.66 -0.30 0.00 -0.13 0.00 0.00 55.73 56.97 1bhj s ARG 165 Cb -0.14 -2.49 -0.14 0.00 -1.56 0.00 0.00 34.95 30.62 1bhj s ARG 165 CO 0.02 -0.34 1.14 -2.30 -0.81 0.00 0.00 175.30 173.01 1bhj n PRO 166 N -0.24 1.50 -0.97 5.12 -0.02 -1.26 0.33 135.00 139.45 1bhj n PRO 166 Ca 0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1bhj n PRO 166 Cb 0.49 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.54 0.88 3.89 -1.23 0.00 0.49 -4.93 105.19 105.83 1bhj n GLY 167 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 1.62 0.13 -0.02 0.00 1.00 -4.77 107.32 103.27 1bhj s GLY 168 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.35 1bhj s GLY 168 CO 0.00 -0.09 -0.05 1.08 0.00 0.00 0.00 173.10 174.04 1bhj s LEU 169 N -5.26 3.19 -0.04 0.66 1.02 0.18 -0.82 118.68 117.61 1bhj s LEU 169 Ca 0.57 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.38 1bhj s LEU 169 Cb -0.11 -1.93 0.01 0.00 0.02 0.00 0.00 46.19 44.19 1bhj s LEU 169 CO 0.50 0.15 -0.09 -0.22 0.02 0.00 0.00 176.35 176.71 1bhj s LEU 170 N -2.48 1.63 -0.44 1.79 2.96 -1.09 -1.73 118.68 119.32 1bhj s LEU 170 Ca 0.24 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1bhj s LEU 170 Cb -0.11 -0.61 0.13 0.00 0.50 0.00 0.00 46.19 46.11 1bhj s LEU 170 CO 0.16 0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.76 1bhj s VAL 171 N 0.50 1.49 -0.02 1.68 1.01 0.64 -0.56 120.40 125.15 1bhj s VAL 171 Ca -0.09 -2.57 0.03 0.00 0.00 0.00 0.00 61.98 59.35 1bhj s VAL 171 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1bhj s VAL 171 CO 0.01 -0.87 -0.07 -0.51 0.00 0.00 0.00 175.10 173.65 1bhj s ILE 172 N 0.36 3.61 0.33 2.22 2.07 -0.90 0.29 121.20 129.18 1bhj s ILE 172 Ca 0.17 -0.69 0.04 0.00 -1.41 0.00 0.00 60.65 58.77 1bhj s ILE 172 Cb -0.24 -2.53 -0.03 0.00 0.13 0.00 0.00 42.46 39.78 1bhj s ILE 172 CO -0.00 0.47 0.18 1.51 -1.91 0.00 0.00 174.94 175.19 1bhj s ASP 173 N -1.18 1.78 0.04 4.50 -4.77 -1.18 -0.65 116.67 115.21 1bhj s ASP 173 Ca 0.15 -1.63 -0.27 0.00 -3.30 0.00 0.00 52.55 47.50 1bhj s ASP 173 Cb -0.11 0.46 0.09 0.00 -1.09 0.00 0.00 42.92 42.27 1bhj s ASP 173 CO 0.05 -0.94 0.81 -1.38 0.70 0.00 0.00 175.17 174.41 1bhj s HIS 174 N -3.50 -0.40 0.65 2.11 -3.43 -0.65 -4.44 115.29 105.64 1bhj s HIS 174 Ca 0.35 0.25 -0.13 0.00 -0.80 0.00 0.00 55.06 54.73 1bhj s HIS 174 Cb 0.04 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.72 1bhj s HIS 174 CO 0.19 -0.62 1.06 1.03 -2.00 0.00 0.00 174.74 174.40 1bhj s ARG 175 N -3.27 3.11 -0.87 -0.38 0.52 -1.26 0.18 118.95 116.98 1bhj s ARG 175 Ca 0.04 1.04 -0.25 0.00 -0.52 0.00 0.00 55.73 56.04 1bhj s ARG 175 Cb -0.01 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 1bhj s ARG 175 CO -0.10 -0.97 1.75 1.21 0.02 0.00 0.00 175.30 177.21 1bhj s ASN 176 N -3.41 5.60 0.23 0.23 3.04 -1.04 -4.57 114.94 115.01 1bhj s ASN 176 Ca 0.60 -0.67 0.24 0.00 0.04 0.00 0.00 52.86 53.07 1bhj s ASN 176 Cb -0.15 -2.56 0.40 0.00 -1.54 0.00 0.00 41.25 37.41 1bhj s ASN 176 CO 0.48 -2.29 1.45 1.88 -3.04 0.00 0.00 177.10 175.58 1bhj h TYR 177 N 11.46 0.00 0.00 0.43 0.05 -1.91 -3.16 116.97 123.83 1bhj h TYR 177 Ca 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1bhj h TYR 177 Cb 1.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 1bhj h TYR 177 CO 1.19 0.00 -0.16 -0.44 -1.05 0.00 0.00 178.16 177.70 1bhj h ASP 178 N 0.00 0.00 0.00 3.88 5.19 -1.85 -0.89 116.42 122.76 1bhj h ASP 178 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1bhj h ASP 178 Cb 0.85 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 1bhj h ASP 178 CO 0.00 0.16 -0.55 0.22 -3.12 0.00 0.00 179.24 175.95 1bhj h TYR 179 N 0.00 0.00 0.00 4.55 5.03 -1.94 -3.24 116.97 121.36 1bhj h TYR 179 Ca -0.00 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1bhj h TYR 179 Cb 0.30 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 1bhj h TYR 179 CO 0.00 1.15 -0.30 -0.84 -1.32 0.00 0.00 178.16 176.85 1bhj h ILE 180 N -1.00 1.07 -0.40 1.81 3.07 -1.52 -0.02 117.51 120.52 1bhj h ILE 180 Ca -0.15 -1.07 -0.04 0.00 1.55 0.00 0.00 64.86 65.14 1bhj h ILE 180 Cb 1.08 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 39.21 1bhj h ILE 180 CO -0.09 0.29 0.06 -0.07 -1.05 0.00 0.00 178.15 177.29 1bhj h LEU 181 N 0.00 0.56 0.17 0.16 4.07 -1.31 0.84 115.31 119.79 1bhj h LEU 181 Ca -0.00 -0.09 -0.28 0.00 0.08 0.00 0.00 57.88 57.59 1bhj h LEU 181 Cb 0.58 -0.14 0.02 0.00 1.08 0.00 0.00 40.66 42.19 1bhj h LEU 181 CO 0.04 0.59 -1.31 -1.28 -1.08 0.00 0.00 178.44 175.40 1bhj h SER 182 N 0.58 0.55 1.91 -0.43 0.87 -1.31 -3.32 113.55 112.41 1bhj h SER 182 Ca 0.13 -0.91 -0.01 0.00 -1.23 0.00 0.00 61.79 59.77 1bhj h SER 182 Cb 0.28 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1bhj h SER 182 CO 0.00 1.60 -0.10 0.71 -0.53 0.00 0.00 176.83 178.52 1bhj h THR 183 N -0.16 0.07 -0.38 2.23 1.35 -1.01 -3.47 112.91 111.55 1bhj h THR 183 Ca -0.25 -1.10 -0.16 0.00 -0.55 0.00 0.00 66.41 64.35 1bhj h THR 183 Cb 1.87 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 70.24 1bhj h THR 183 CO 0.16 0.04 -0.15 0.61 -0.25 0.00 0.00 175.52 175.93 1bhj n GLY 184 N 1.11 0.97 3.05 5.82 0.00 0.29 -5.00 105.19 111.43 1bhj n GLY 184 Ca 0.04 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1bhj n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhj n ALA 186 N 1.89 2.98 -0.66 0.00 0.00 -1.26 -4.42 120.51 119.05 1bhj n ALA 186 Ca -0.20 -3.85 -0.30 0.00 0.00 0.00 0.00 53.44 49.10 1bhj n ALA 186 Cb 0.56 -0.84 0.20 0.00 0.00 0.00 0.00 19.45 19.36 1bhj n ALA 186 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bhj s PRO 187 N -1.56 0.30 0.72 0.00 0.04 -1.26 -4.90 135.00 128.32 1bhj s PRO 187 Ca 0.36 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 1bhj s PRO 187 Cb 0.16 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 33.12 1bhj s PRO 187 CO -0.08 -3.03 1.01 -1.25 0.04 0.00 0.00 177.00 173.69 1bhj s PRO 188 N -4.59 1.94 -0.35 0.56 0.04 -1.26 -4.63 135.00 126.72 1bhj s PRO 188 Ca 0.67 -0.54 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 1bhj s PRO 188 Cb -0.23 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1bhj s PRO 188 CO 0.60 -1.35 0.30 0.41 0.04 0.00 0.00 177.00 177.01 1bhj n GLY 189 N -2.92 0.42 0.00 0.56 0.00 -1.26 -4.97 105.19 97.02 1bhj n GLY 189 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.78 1.34 -2.42 1.61 4.76 -1.26 -5.03 118.16 115.38 1bhj n LYS 190 Ca -0.03 -0.94 -0.42 0.00 -2.87 0.00 0.00 58.31 54.04 1bhj n LYS 190 Cb 0.53 -0.73 -0.03 0.00 -1.84 0.00 0.00 35.03 32.96 1bhj n LYS 190 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1bhj s ASN 191 N -0.45 6.99 0.04 4.39 3.84 -1.26 -4.86 114.94 123.62 1bhj s ASN 191 Ca 0.00 1.81 0.24 0.00 0.21 0.00 0.00 52.86 55.12 1bhj s ASN 191 Cb 0.00 -2.55 0.34 0.00 -0.55 0.00 0.00 41.25 38.48 1bhj s ASN 191 CO 0.00 -0.66 1.29 2.30 -2.79 0.00 0.00 177.10 177.23 1bhj n ILE 192 N 4.89 0.11 -0.04 -5.21 -5.35 -1.26 -4.20 119.36 108.31 1bhj n ILE 192 Ca 0.12 -0.11 -0.22 0.00 -0.27 0.00 0.00 62.75 62.28 1bhj n ILE 192 Cb 0.45 0.21 -0.13 0.00 -1.74 0.00 0.00 39.64 38.43 1bhj n ILE 192 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1bhj n TYR 193 N -1.72 1.12 -3.68 4.28 4.01 -1.26 -4.46 117.16 115.45 1bhj n TYR 193 Ca 0.04 0.31 -0.21 0.00 -0.16 0.00 0.00 57.90 57.88 1bhj n TYR 193 Cb 0.38 -1.14 -0.18 0.00 -0.31 0.00 0.00 39.34 38.09 1bhj n TYR 193 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1bhj s TYR 194 N -2.50 0.16 -0.78 -0.72 1.51 -1.26 -0.42 117.35 113.34 1bhj s TYR 194 Ca -0.25 0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 55.69 1bhj s TYR 194 Cb 0.07 -0.55 -0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1bhj s TYR 194 CO 0.70 -0.24 1.69 0.21 -1.11 0.00 0.00 175.55 176.79 1bhj s LYS 195 N 2.14 2.89 0.79 -0.62 2.20 -1.20 -4.67 119.74 121.26 1bhj s LYS 195 Ca 0.05 -0.07 -0.15 0.00 -0.36 0.00 0.00 55.97 55.44 1bhj s LYS 195 Cb -0.12 -4.66 0.01 0.00 -1.51 0.00 0.00 37.83 31.55 1bhj s LYS 195 CO -0.04 -2.68 0.74 -1.13 -0.36 0.00 0.00 175.35 171.88 1bhj n SER 196 N 11.68 -0.58 -0.38 1.43 3.41 -1.24 -4.62 113.62 123.33 1bhj n SER 196 Ca 0.23 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.45 1bhj n SER 196 Cb 0.50 -1.32 0.11 0.00 -0.26 0.00 0.00 64.21 63.24 1bhj n SER 196 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bhj n ASP 197 N -1.45 1.58 -4.61 4.04 8.00 -1.21 -4.99 116.55 117.90 1bhj n ASP 197 Ca 0.11 -2.89 -0.34 0.00 0.71 0.00 0.00 54.79 52.37 1bhj n ASP 197 Cb 0.51 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.04 3.74 -0.28 0.64 2.96 -1.26 -5.07 118.68 117.36 1bhj s LEU 198 Ca 0.26 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 1bhj s LEU 198 Cb 0.24 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1bhj s LEU 198 CO -0.01 0.17 1.21 -0.89 -1.32 0.00 0.00 176.35 175.51 1bhj s THR 199 N 0.41 4.30 0.26 3.68 2.01 -1.26 -5.00 115.64 120.04 1bhj s THR 199 Ca 0.02 1.50 0.06 0.00 0.31 0.00 0.00 61.69 63.58 1bhj s THR 199 Cb -0.13 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 1bhj s THR 199 CO 0.01 -0.42 -0.06 -0.54 -0.69 0.00 0.00 174.62 172.92 1bhj s LYS 200 N 3.87 1.50 -0.01 4.92 1.02 -1.26 -1.82 119.74 127.95 1bhj s LYS 200 Ca 0.52 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.77 1bhj s LYS 200 Cb -0.16 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 1bhj s LYS 200 CO 0.19 0.04 -0.02 0.34 -0.92 0.00 0.00 175.35 174.97 1bhj s ASP 201 N -3.41 0.34 -0.04 2.83 -1.08 -0.99 -4.91 116.67 109.42 1bhj s ASP 201 Ca 0.28 -0.05 -0.00 0.00 -0.52 0.00 0.00 52.55 52.26 1bhj s ASP 201 Cb 0.03 -0.06 0.03 0.00 -1.46 0.00 0.00 42.92 41.46 1bhj s ASP 201 CO 0.11 0.02 0.01 -0.63 0.52 0.00 0.00 175.17 175.20 1bhj s ILE 202 N 0.08 0.12 -0.22 4.11 1.01 -1.26 -0.94 121.20 124.10 1bhj s ILE 202 Ca -0.00 0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 1bhj s ILE 202 Cb -0.03 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 1bhj s ILE 202 CO -0.00 0.16 0.21 -0.89 0.00 0.00 0.00 174.94 174.42 1bhj s THR 203 N 1.34 5.33 -0.19 2.92 2.01 -0.83 -4.87 115.64 121.36 1bhj s THR 203 Ca -0.05 0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.17 1bhj s THR 203 Cb -0.13 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1bhj s THR 203 CO -0.03 0.35 0.12 -0.89 -0.69 0.00 0.00 174.62 173.48 1bhj s THR 204 N 0.92 5.30 -0.15 -0.82 2.01 -1.26 -2.38 115.64 119.26 1bhj s THR 204 Ca 0.11 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 1bhj s THR 204 Cb -0.13 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1bhj s THR 204 CO 0.04 0.46 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.90 1bhj s SER 205 N 0.24 2.71 -0.13 3.53 0.01 -0.96 -4.94 113.70 114.17 1bhj s SER 205 Ca 0.08 -0.56 -0.03 0.00 1.31 0.00 0.00 55.95 56.75 1bhj s SER 205 Cb -0.11 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 1bhj s SER 205 CO -0.01 -0.13 -0.03 -0.69 0.41 0.00 0.00 173.24 172.79 1bhj s VAL 206 N 1.58 4.01 -0.21 3.43 1.01 -1.26 -1.34 120.40 127.62 1bhj s VAL 206 Ca 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1bhj s VAL 206 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1bhj s VAL 206 CO -0.09 0.53 -0.13 -0.22 0.00 0.00 0.00 175.10 175.19 1bhj s LEU 207 N -0.02 2.58 -0.23 3.92 2.96 -0.88 -5.04 118.68 121.97 1bhj s LEU 207 Ca 0.02 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 1bhj s LEU 207 Cb -0.13 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1bhj s LEU 207 CO 0.02 -0.03 0.03 -0.89 -1.32 0.00 0.00 176.35 174.16 1bhj s THR 208 N 1.35 4.01 -0.37 3.68 2.01 -1.26 -0.70 115.64 124.35 1bhj s THR 208 Ca 0.04 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 1bhj s THR 208 Cb -0.14 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1bhj s THR 208 CO -0.08 0.38 0.20 -0.69 -0.69 0.00 0.00 174.62 173.74 1bhj s VAL 209 N 1.45 4.55 -0.95 3.82 1.01 0.62 -4.57 120.40 126.32 1bhj s VAL 209 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1bhj s VAL 209 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1bhj s VAL 209 CO 0.01 -0.23 0.83 0.59 0.00 0.00 0.00 175.10 176.31 1bhj n ASN 210 N 4.99 -6.89 0.00 3.32 3.02 -1.26 -2.33 115.26 116.11 1bhj n ASN 210 Ca -0.12 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1bhj n ASN 210 Cb 0.46 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.59 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 -2.71 -0.37 -4.30 6.41 4.05 -1.26 -4.92 115.26 112.15 1bhj n ASN 211 Ca -0.05 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.63 1bhj n ASN 211 Cb 0.58 -2.44 -0.14 0.00 1.23 0.00 0.00 39.78 39.01 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 -1.01 3.35 -0.08 1.20 1.02 -0.98 -5.06 119.74 118.17 1bhj s LYS 212 Ca 0.00 -0.65 -0.32 0.00 0.02 0.00 0.00 55.97 55.03 1bhj s LYS 212 Cb 0.00 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 1bhj s LYS 212 CO 0.00 -0.14 2.00 0.00 -0.92 0.00 0.00 175.35 176.29 1bhj n ALA 213 N 4.62 1.32 0.17 5.17 0.00 -1.26 -0.27 120.51 130.25 1bhj n ALA 213 Ca -0.18 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1bhj n ALA 213 Cb 0.51 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 1bhj n ALA 213 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1bhj n HIS 214 N 8.12 0.00 -3.60 0.00 -0.00 0.13 -4.77 115.22 115.10 1bhj n HIS 214 Ca 0.24 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.35 1bhj n HIS 214 Cb 0.36 -0.09 -0.05 0.00 -0.12 0.00 0.00 29.99 30.10 1bhj n HIS 214 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1bhj s MET 215 N -2.10 0.42 -0.07 1.57 0.00 -1.17 -4.66 119.30 113.29 1bhj s MET 215 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 55.69 55.82 1bhj s MET 215 Cb 0.05 0.20 0.01 0.00 0.00 0.00 0.00 34.83 35.08 1bhj s MET 215 CO 0.31 -0.13 -0.17 0.08 0.00 0.00 0.00 175.02 175.10 1bhj s VAL 216 N -1.08 1.52 -0.13 10.11 1.01 0.05 -2.07 120.40 129.82 1bhj s VAL 216 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1bhj s VAL 216 Cb -0.01 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1bhj s VAL 216 CO -0.02 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.46 1bhj s THR 217 N 0.46 1.72 -0.26 3.92 2.01 -0.45 0.40 115.64 123.43 1bhj s THR 217 Ca -0.15 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 1bhj s THR 217 Cb -0.16 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1bhj s THR 217 CO 0.05 0.48 0.07 -0.76 -0.69 0.00 0.00 174.62 173.78 1bhj s LEU 218 N 1.09 3.52 -0.43 4.42 1.02 0.99 -2.25 118.68 127.05 1bhj s LEU 218 Ca -0.03 -0.32 -0.12 0.00 0.02 0.00 0.00 54.13 53.68 1bhj s LEU 218 Cb -0.14 -1.91 0.06 0.00 0.02 0.00 0.00 46.19 44.22 1bhj s LEU 218 CO -0.05 -0.07 0.29 -1.81 0.02 0.00 0.00 176.35 174.73 1bhj s ASP 219 N 1.59 5.86 -0.14 2.29 1.01 -1.00 -1.42 116.67 124.86 1bhj s ASP 219 Ca 0.06 -1.29 -0.15 0.00 0.71 0.00 0.00 52.55 51.87 1bhj s ASP 219 Cb -0.16 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1bhj s ASP 219 CO 0.03 -0.53 0.34 -0.31 0.21 0.00 0.00 175.17 174.91 1bhj s TYR 220 N 1.54 3.49 -0.39 4.23 1.51 -0.47 -1.97 117.35 125.30 1bhj s TYR 220 Ca 0.03 0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 56.74 1bhj s TYR 220 Cb -0.22 -2.38 0.09 0.00 -0.11 0.00 0.00 41.96 39.34 1bhj s TYR 220 CO 0.05 0.26 0.17 0.99 -1.11 0.00 0.00 175.55 175.91 1bhj s THR 221 N 0.37 3.40 0.08 -0.71 2.01 -0.12 -1.90 115.64 118.77 1bhj s THR 221 Ca 0.19 -1.78 -0.23 0.00 0.31 0.00 0.00 61.69 60.19 1bhj s THR 221 Cb -0.14 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.11 1bhj s THR 221 CO 0.06 -0.52 0.68 -0.69 -0.69 0.00 0.00 174.62 173.46 1bhj s VAL 222 N 1.22 4.66 -1.00 3.82 1.01 0.17 -2.34 120.40 127.94 1bhj s VAL 222 Ca 0.04 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 1bhj s VAL 222 Cb -0.22 -4.03 0.16 0.00 0.00 0.00 0.00 36.38 32.30 1bhj s VAL 222 CO -0.02 0.47 1.16 -1.58 0.00 0.00 0.00 175.10 175.13 1bhj s GLN 223 N -0.69 3.77 -0.39 2.72 0.74 -0.76 -1.97 119.66 123.09 1bhj s GLN 223 Ca 0.34 -2.18 -0.29 0.00 0.05 0.00 0.00 55.36 53.29 1bhj s GLN 223 Cb -0.21 -4.87 -0.00 0.00 1.10 0.00 0.00 33.01 29.04 1bhj s GLN 223 CO 0.22 -1.67 1.57 0.14 -0.55 0.00 0.00 175.29 175.00 1bhj s VAL 224 N 1.78 3.72 0.23 1.34 -7.23 0.82 -4.62 120.40 116.44 1bhj s VAL 224 Ca 0.33 0.72 -0.32 0.00 -1.81 0.00 0.00 61.98 60.91 1bhj s VAL 224 Cb -0.05 -3.99 -0.13 0.00 0.56 0.00 0.00 36.38 32.77 1bhj s VAL 224 CO -0.07 -0.64 1.58 -2.65 -0.31 0.00 0.00 175.10 173.01 1bhj n PRO 225 N 8.27 2.46 0.00 4.82 -0.02 -1.26 0.10 135.00 149.37 1bhj n PRO 225 Ca 0.19 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1bhj n PRO 225 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1bhj n PRO 225 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bhj n GLY 226 N 2.87 2.68 0.60 -1.23 0.00 -0.84 -4.82 105.19 104.46 1bhj n GLY 226 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.03 1.16 -3.15 4.61 0.00 -1.08 -4.52 120.51 117.51 1bhj n ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bhj n ALA 227 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1bhj n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bhj n GLY 228 N 0.58 6.75 0.00 0.00 0.00 0.27 -3.79 105.19 109.00 1bhj n GLY 228 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1bhj n GLY 228 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bhj n ARG 229 N 0.00 0.00 -2.02 1.61 3.00 -1.26 -4.37 116.66 113.62 1bhj n ARG 229 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1bhj n ARG 229 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 32.46 32.39 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 0.00 5.24 0.00 6.15 8.00 -1.26 -4.40 116.55 130.28 1bhj n ASP 230 Ca 0.00 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.51 1bhj n ASP 230 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 1bhj n ASP 230 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bhj n GLY 231 N 3.17 3.04 3.51 0.44 0.00 -1.26 -4.98 105.19 109.11 1bhj n GLY 231 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.19 -0.86 -1.75 4.61 0.00 -1.26 -1.99 120.51 119.06 1bhj n ALA 232 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 1bhj n ALA 232 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.95 3.46 0.32 0.00 0.04 -1.26 0.94 135.00 136.56 1bhj s PRO 233 Ca 0.66 0.92 0.07 0.00 0.04 0.00 0.00 61.00 62.69 1bhj s PRO 233 Cb -0.52 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1bhj s PRO 233 CO 0.55 -0.68 0.30 0.20 0.04 0.00 0.00 177.00 177.42 1bhj s GLY 234 N -3.61 1.69 -0.42 0.56 0.00 0.29 -4.18 107.32 101.65 1bhj s GLY 234 Ca 0.58 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1bhj s GLY 234 CO 0.46 -1.53 0.16 -1.36 0.00 0.00 0.00 173.10 170.84 1bhj s PHE 235 N -2.26 2.95 0.16 1.90 0.40 -1.26 -0.13 117.98 119.74 1bhj s PHE 235 Ca 0.40 -2.79 0.05 0.00 -0.60 0.00 0.00 56.93 53.99 1bhj s PHE 235 Cb -0.07 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1bhj s PHE 235 CO 0.27 -0.84 0.13 -1.12 0.70 0.00 0.00 175.22 174.36 1bhj s SER 236 N 0.48 5.52 -0.02 1.36 0.01 -0.83 -4.91 113.70 115.31 1bhj s SER 236 Ca 0.14 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 1bhj s SER 236 Cb -0.22 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1bhj s SER 236 CO -0.06 0.08 0.08 -1.59 0.41 0.00 0.00 173.24 172.16 1bhj s LYS 237 N -3.03 0.22 0.33 12.44 -2.85 -1.26 0.44 119.74 126.03 1bhj s LYS 237 Ca 0.31 -0.11 0.03 0.00 -1.00 0.00 0.00 55.97 55.20 1bhj s LYS 237 Cb -0.10 0.09 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 1bhj s LYS 237 CO 0.23 -0.04 0.10 -0.59 0.10 0.00 0.00 175.35 175.15 1bhj s PHE 238 N -0.51 1.78 0.06 1.78 -0.71 -0.80 -4.53 117.98 115.05 1bhj s PHE 238 Ca -0.06 -1.15 0.04 0.00 -1.04 0.00 0.00 56.93 54.72 1bhj s PHE 238 Cb -0.04 -1.11 -0.03 0.00 -1.21 0.00 0.00 43.02 40.63 1bhj s PHE 238 CO 0.00 -0.22 -0.12 0.50 -1.34 0.00 0.00 175.22 174.04 1bhj s ARG 239 N -3.86 0.72 -0.08 1.99 3.52 -1.26 -1.37 118.95 118.61 1bhj s ARG 239 Ca 0.33 -0.85 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1bhj s ARG 239 Cb 0.06 -0.64 0.02 0.00 -1.56 0.00 0.00 34.95 32.83 1bhj s ARG 239 CO 0.15 0.14 0.25 -0.51 -0.81 0.00 0.00 175.30 174.52 1bhj s LEU 240 N -1.59 1.04 0.17 -0.88 1.43 -0.50 -4.99 118.68 113.36 1bhj s LEU 240 Ca -0.04 0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.56 1bhj s LEU 240 Cb -0.10 0.91 -0.04 0.00 0.03 0.00 0.00 46.19 46.99 1bhj s LEU 240 CO 0.01 -0.16 -0.20 -0.44 0.23 0.00 0.00 176.35 175.80 1bhj s SER 241 N -0.17 3.70 0.24 2.29 0.01 -1.26 -0.00 113.70 118.51 1bhj s SER 241 Ca -0.03 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.52 1bhj s SER 241 Cb -0.03 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1bhj s SER 241 CO 0.01 0.13 0.15 -0.31 0.41 0.00 0.00 173.24 173.63 1bhj s TYR 242 N -1.51 1.37 -0.23 2.43 1.51 0.16 -4.69 117.35 116.40 1bhj s TYR 242 Ca 0.20 -1.38 -0.06 0.00 -1.01 0.00 0.00 57.07 54.83 1bhj s TYR 242 Cb -0.09 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1bhj s TYR 242 CO 0.11 -0.59 0.03 -0.47 -1.11 0.00 0.00 175.55 173.52 1bhj s TYR 243 N -3.92 3.06 -0.45 2.71 6.14 0.29 -0.77 117.35 124.41 1bhj s TYR 243 Ca 0.38 -0.48 -0.27 0.00 0.64 0.00 0.00 57.07 57.34 1bhj s TYR 243 Cb 0.06 -2.17 -0.03 0.00 0.42 0.00 0.00 41.96 40.25 1bhj s TYR 243 CO 0.15 -0.32 1.92 -1.25 0.64 0.00 0.00 175.55 176.69 1bhj s PRO 244 N 1.35 2.89 -0.32 4.97 0.04 -1.26 -4.83 135.00 137.84 1bhj s PRO 244 Ca 0.05 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 1bhj s PRO 244 Cb -0.15 -4.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.04 1bhj s PRO 244 CO 0.02 -2.39 0.20 -1.01 0.04 0.00 0.00 177.00 173.86 1bhj s HIS 245 N 8.50 3.21 0.31 0.56 3.76 -1.26 -4.97 115.29 125.40 1bhj s HIS 245 Ca 0.78 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 55.27 1bhj s HIS 245 Cb -0.18 -2.42 -0.09 0.00 1.11 0.00 0.00 32.58 31.00 1bhj s HIS 245 CO 0.28 -0.35 0.75 0.00 -0.85 0.00 0.00 174.74 174.57 1bhj h LEU 247 N 2.52 -0.98 -0.26 0.00 5.85 -1.97 -0.02 115.31 120.45 1bhj h LEU 247 Ca -0.48 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1bhj h LEU 247 Cb 1.18 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 42.54 1bhj h LEU 247 CO 0.65 -0.39 -0.21 0.00 -0.34 0.00 0.00 178.44 178.16 1bhj h ALA 248 N 0.25 -0.05 -0.06 1.25 0.00 -1.99 0.86 119.26 119.51 1bhj h ALA 248 Ca 0.06 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1bhj h ALA 248 Cb 0.57 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1bhj h ALA 248 CO -0.28 -0.62 -0.34 0.77 0.00 0.00 0.00 179.25 178.78 1bhj h SER 249 N -0.20 -1.06 -0.41 0.00 0.02 -1.83 -2.61 113.55 107.46 1bhj h SER 249 Ca 0.14 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1bhj h SER 249 Cb 0.42 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1bhj h SER 249 CO -0.37 -0.31 0.17 0.15 -1.14 0.00 0.00 176.83 175.33 1bhj h PHE 250 N -0.38 0.31 -0.82 3.45 3.57 -0.77 -1.61 116.94 120.70 1bhj h PHE 250 Ca 0.02 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.73 1bhj h PHE 250 Cb 0.43 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 38.96 1bhj h PHE 250 CO -0.51 0.14 0.22 1.15 -2.23 0.00 0.00 178.31 177.07 1bhj h THR 251 N 0.35 0.42 0.00 4.41 2.02 -0.51 0.24 112.91 119.84 1bhj h THR 251 Ca 0.18 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 1bhj h THR 251 Cb 0.14 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1bhj h THR 251 CO -0.16 0.05 -0.71 1.05 0.37 0.00 0.00 175.52 176.11 1bhj h GLU 252 N 0.25 0.00 0.47 6.66 -0.00 -1.16 -3.17 114.58 117.63 1bhj h GLU 252 Ca 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.83 1bhj h GLU 252 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 1bhj h GLU 252 CO -0.58 0.51 -0.23 1.25 -0.00 0.00 0.00 179.01 179.96 1bhj h LEU 253 N 0.00 -0.53 -2.02 3.06 5.85 0.36 -2.29 115.31 119.73 1bhj h LEU 253 Ca -0.03 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.83 1bhj h LEU 253 Cb 1.45 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 1bhj h LEU 253 CO 0.07 -0.27 0.40 1.62 -0.34 0.00 0.00 178.44 179.92 1bhj h VAL 254 N -0.86 0.49 -0.12 1.05 3.04 -1.12 -2.04 116.25 116.70 1bhj h VAL 254 Ca -0.06 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.51 1bhj h VAL 254 Cb 0.48 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1bhj h VAL 254 CO 0.11 0.00 -0.37 1.56 -1.01 0.00 0.00 177.57 177.86 1bhj h GLN 255 N 0.00 0.45 0.00 4.17 4.20 -1.51 -2.99 115.11 119.44 1bhj h GLN 255 Ca 0.21 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1bhj h GLN 255 Cb 1.01 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1bhj h GLN 255 CO -0.00 0.96 0.00 -0.85 -0.67 0.00 0.00 178.83 178.26 1bhj n GLU 256 N -4.35 0.04 0.00 1.46 0.28 -0.78 -0.75 120.64 116.54 1bhj n GLU 256 Ca -0.07 0.31 0.13 0.00 -0.16 0.00 0.00 57.16 57.37 1bhj n GLU 256 Cb 0.52 -1.58 0.63 0.00 1.43 0.00 0.00 31.44 32.44 1bhj n GLU 256 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bhj n ALA 257 N -1.56 2.28 0.10 -1.84 0.00 -1.10 -2.37 120.51 116.01 1bhj n ALA 257 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1bhj n ALA 257 Cb 0.16 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.22 1bhj n ALA 257 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bhj n PHE 258 N -1.35 0.05 -1.37 0.00 3.72 0.07 -4.59 117.46 114.00 1bhj n PHE 258 Ca 0.11 -0.16 -0.13 0.00 -0.05 0.00 0.00 57.45 57.22 1bhj n PHE 258 Cb 0.24 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.12 1.33 1.40 1.37 0.00 -1.00 -2.30 105.19 106.12 1bhj n GLY 259 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.98 2.59 3.30 -0.02 0.00 -1.15 -4.92 105.19 104.01 1bhj n GLY 260 Ca -0.13 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 0.78 -3.95 1.61 1.74 -0.97 -4.71 116.66 111.15 1bhj n ARG 261 Ca 0.00 -1.46 -0.12 0.00 -0.77 0.00 0.00 57.85 55.51 1bhj n ARG 261 Cb 0.00 -2.75 -0.01 0.00 -1.02 0.00 0.00 32.46 28.68 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 -2.77 0.90 -0.07 0.00 0.74 -0.77 -4.93 119.66 112.76 1bhj s GLN 263 Ca 0.23 -0.54 -0.04 0.00 0.05 0.00 0.00 55.36 55.06 1bhj s GLN 263 Cb -0.03 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.86 1bhj s GLN 263 CO 0.15 -0.61 0.12 -1.58 -0.55 0.00 0.00 175.29 172.82 1bhj s HIS 264 N 1.75 3.46 0.04 1.67 5.65 -1.26 -1.72 115.29 124.88 1bhj s HIS 264 Ca -0.02 0.38 -0.05 0.00 0.25 0.00 0.00 55.06 55.63 1bhj s HIS 264 Cb -0.17 -1.86 -0.01 0.00 -1.18 0.00 0.00 32.58 29.36 1bhj s HIS 264 CO -0.07 0.64 0.08 0.45 -0.65 0.00 0.00 174.74 175.18 1bhj s SER 265 N -1.32 0.20 -0.09 9.88 0.15 -1.03 -5.01 113.70 116.47 1bhj s SER 265 Ca 0.19 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 1bhj s SER 265 Cb -0.12 0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.45 1bhj s SER 265 CO 0.09 -0.49 0.21 0.54 1.20 0.00 0.00 173.24 174.78 1bhj s VAL 266 N -2.58 -0.07 0.38 4.45 0.11 -1.26 -1.60 120.40 119.84 1bhj s VAL 266 Ca -0.05 0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1bhj s VAL 266 Cb -0.01 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1bhj s VAL 266 CO -0.05 0.07 0.11 -1.48 -3.33 0.00 0.00 175.10 170.43 1bhj s LEU 267 N 1.32 3.08 0.00 2.54 2.34 -0.81 -2.57 118.68 124.58 1bhj s LEU 267 Ca -0.08 -1.03 0.00 0.00 0.06 0.00 0.00 54.13 53.08 1bhj s LEU 267 Cb -0.11 -1.42 0.00 0.00 -0.56 0.00 0.00 46.19 44.10 1bhj s LEU 267 CO -0.08 -0.41 0.00 0.61 -1.06 0.00 0.00 176.35 175.42 1bhj n GLY 268 N -1.12 -2.13 0.09 -3.48 0.00 0.97 -3.46 105.19 96.06 1bhj n GLY 268 Ca -0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 0.17 0.00 1.61 3.32 -1.93 -3.38 116.42 116.20 1bhj h ASP 269 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bhj h ASP 269 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1bhj h ASP 269 CO 0.00 0.21 0.00 0.49 -1.72 0.00 0.00 179.24 178.22 1bhj n PHE 270 N -4.94 0.00 -1.18 4.55 3.72 -1.26 -4.82 117.46 113.54 1bhj n PHE 270 Ca -0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.06 1bhj n PHE 270 Cb 0.08 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.00 0.92 0.63 -1.08 3.01 -1.26 -4.90 119.74 116.06 1bhj s LYS 271 Ca 0.00 0.72 -0.17 0.00 -1.01 0.00 0.00 55.97 55.51 1bhj s LYS 271 Cb 0.00 -1.78 -0.02 0.00 -1.01 0.00 0.00 37.83 35.03 1bhj s LYS 271 CO 0.00 -2.45 1.17 -1.25 0.51 0.00 0.00 175.35 173.33 1bhj s PRO 272 N -4.93 2.84 -0.02 -1.68 0.04 -1.26 0.32 135.00 130.31 1bhj s PRO 272 Ca 0.64 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.41 1bhj s PRO 272 Cb -0.18 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1bhj s PRO 272 CO 0.57 -1.27 -0.24 -0.47 0.04 0.00 0.00 177.00 175.64 1bhj s TYR 273 N -1.90 2.17 -0.02 0.56 5.04 -1.06 -3.97 117.35 118.18 1bhj s TYR 273 Ca 0.73 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1bhj s TYR 273 Cb -0.26 -1.40 0.01 0.00 0.35 0.00 0.00 41.96 40.65 1bhj s TYR 273 CO 0.36 -0.05 -0.06 -0.98 -1.34 0.00 0.00 175.55 173.49 1bhj s ARG 274 N -0.53 0.62 0.42 4.97 1.70 -1.26 -4.83 118.95 120.04 1bhj s ARG 274 Ca 0.08 -0.18 -0.23 0.00 -0.47 0.00 0.00 55.73 54.94 1bhj s ARG 274 Cb -0.10 -0.62 -0.12 0.00 -0.57 0.00 0.00 34.95 33.55 1bhj s ARG 274 CO -0.01 0.06 0.70 -2.30 -1.08 0.00 0.00 175.30 172.67 1bhj n PRO 275 N 3.34 0.79 -0.21 3.89 -0.02 -1.26 -1.23 135.00 140.30 1bhj n PRO 275 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1bhj n PRO 275 Cb 0.55 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.60 2.29 1.54 -1.23 0.00 -1.26 -4.95 105.19 103.18 1bhj n GLY 276 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1bhj n GLY 276 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bhj n GLN 277 N -2.00 0.00 -0.03 1.61 6.02 -0.37 -4.86 117.38 117.75 1bhj n GLN 277 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1bhj n GLN 277 Cb 0.00 -0.47 -0.09 0.00 1.02 0.00 0.00 30.24 30.70 1bhj n GLN 277 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bhj h ALA 278 N 0.13 0.17 -2.49 -1.58 0.00 -1.92 -3.43 119.26 110.14 1bhj h ALA 278 Ca -0.17 -0.48 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 1bhj h ALA 278 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1bhj h ALA 278 CO 0.22 0.30 0.34 -0.47 0.00 0.00 0.00 179.25 179.64 1bhj s TYR 279 N -3.67 3.71 -0.37 0.00 5.04 -1.26 -5.02 117.35 115.77 1bhj s TYR 279 Ca -0.13 1.70 -0.19 0.00 -2.44 0.00 0.00 57.07 56.00 1bhj s TYR 279 Cb 0.05 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1bhj s TYR 279 CO 0.80 0.08 0.56 0.08 -1.34 0.00 0.00 175.55 175.74 1bhj s VAL 280 N 0.61 4.96 0.58 3.14 1.01 -1.26 -5.05 120.40 124.38 1bhj s VAL 280 Ca 0.49 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 1bhj s VAL 280 Cb -0.22 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1bhj s VAL 280 CO 0.28 -0.32 1.15 -2.84 0.00 0.00 0.00 175.10 173.37 1bhj s PRO 281 N 2.53 3.10 -0.00 2.72 0.02 -1.26 -4.95 135.00 137.15 1bhj s PRO 281 Ca 0.20 1.65 0.22 0.00 0.02 0.00 0.00 61.00 63.09 1bhj s PRO 281 Cb -0.15 -1.97 -0.27 0.00 0.02 0.00 0.00 34.50 32.13 1bhj s PRO 281 CO 0.15 -1.06 0.62 0.00 -0.33 0.00 0.00 177.00 176.37 1bhj s TYR 283 N -3.41 -0.03 -0.32 0.00 1.51 -1.26 -2.51 117.35 111.33 1bhj s TYR 283 Ca -0.04 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 1bhj s TYR 283 Cb 0.14 -0.01 0.04 0.00 -0.11 0.00 0.00 41.96 42.02 1bhj s TYR 283 CO 0.89 -0.21 0.04 -0.06 -1.11 0.00 0.00 175.55 175.10 1bhj s PHE 284 N -0.86 3.26 -0.38 2.71 0.08 0.47 -4.07 117.98 119.19 1bhj s PHE 284 Ca -0.09 -1.67 -0.15 0.00 0.12 0.00 0.00 56.93 55.13 1bhj s PHE 284 Cb -0.05 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1bhj s PHE 284 CO 0.01 -0.77 0.35 0.42 -0.10 0.00 0.00 175.22 175.13 1bhj s ILE 285 N 1.32 5.19 -0.03 0.64 1.01 -1.23 -1.63 121.20 126.47 1bhj s ILE 285 Ca -0.04 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 1bhj s ILE 285 Cb -0.20 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1bhj s ILE 285 CO 0.01 -0.22 0.43 -1.00 0.00 0.00 0.00 174.94 174.16 1bhj s HIS 286 N 1.92 3.67 -0.25 3.97 3.76 0.17 -1.93 115.29 126.60 1bhj s HIS 286 Ca 0.09 0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1bhj s HIS 286 Cb -0.17 -2.38 0.08 0.00 1.11 0.00 0.00 32.58 31.21 1bhj s HIS 286 CO 0.12 0.49 0.03 0.54 -0.85 0.00 0.00 174.74 175.07 1bhj s VAL 287 N -0.56 1.09 0.65 -0.90 0.11 -0.63 -2.11 120.40 118.05 1bhj s VAL 287 Ca 0.24 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 1bhj s VAL 287 Cb -0.16 -1.60 0.10 0.00 -1.53 0.00 0.00 36.38 33.18 1bhj s VAL 287 CO 0.13 -0.35 0.89 -0.76 -3.33 0.00 0.00 175.10 171.68 1bhj s LEU 288 N 1.56 3.09 -0.26 2.54 2.01 0.28 -2.47 118.68 125.43 1bhj s LEU 288 Ca 0.02 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 53.71 1bhj s LEU 288 Cb -0.18 -2.07 0.15 0.00 0.01 0.00 0.00 46.19 44.10 1bhj s LEU 288 CO -0.13 -1.58 0.45 -0.75 1.01 0.00 0.00 176.35 175.35 1bhj s LYS 289 N -4.93 0.42 0.27 1.70 2.36 -0.70 -2.68 119.74 116.18 1bhj s LYS 289 Ca 0.63 0.65 -0.29 0.00 -2.55 0.00 0.00 55.97 54.40 1bhj s LYS 289 Cb -0.06 -0.16 -0.10 0.00 -1.05 0.00 0.00 37.83 36.46 1bhj s LYS 289 CO 0.42 -0.67 1.32 0.21 1.55 0.00 0.00 175.35 178.18 1bhj s LYS 290 N 2.64 4.36 -0.03 4.03 2.20 0.00 -1.85 119.74 131.09 1bhj s LYS 290 Ca 0.15 2.16 -0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1bhj s LYS 290 Cb -0.15 -3.12 -0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1bhj s LYS 290 CO -0.18 -0.23 -0.00 1.15 -0.36 0.00 0.00 175.35 175.72 1bhj h THR 291 N 3.35 0.00 0.00 3.43 2.02 -1.87 1.42 112.91 121.26 1bhj h THR 291 Ca -0.47 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1bhj h THR 291 Cb 1.22 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1bhj h THR 291 CO 0.72 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.22