#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bh1 s GLU 3 N 0.00 1.97 0.16 4.33 2.02 -1.26 -1.03 118.70 124.89 2bh1 s GLU 3 Ca 0.00 -0.57 0.11 0.00 0.02 0.00 0.00 54.97 54.53 2bh1 s GLU 3 Cb 0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 2bh1 s GLU 3 CO 0.00 0.14 -0.25 -0.06 0.02 0.00 0.00 175.26 175.10 2bh1 s PHE 4 N 0.37 2.29 -0.25 1.61 0.40 0.92 -2.29 117.98 121.03 2bh1 s PHE 4 Ca -0.11 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2bh1 s PHE 4 Cb -0.15 -1.19 0.06 0.00 0.51 0.00 0.00 43.02 42.26 2bh1 s PHE 4 CO 0.04 0.41 -0.07 -1.17 0.70 0.00 0.00 175.22 175.13 2bh1 s LEU 5 N -2.35 3.11 -0.08 -0.37 2.96 0.41 -1.07 118.68 121.29 2bh1 s LEU 5 Ca 0.17 -1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 52.63 2bh1 s LEU 5 Cb -0.09 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2bh1 s LEU 5 CO 0.08 -0.22 0.24 -0.89 -1.32 0.00 0.00 176.35 174.24 2bh1 s THR 6 N 1.23 5.32 -0.03 3.68 2.01 0.27 -1.21 115.64 126.92 2bh1 s THR 6 Ca -0.06 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2bh1 s THR 6 Cb -0.19 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.81 2bh1 s THR 6 CO -0.06 0.60 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.76 2bh1 s VAL 7 N -1.01 0.32 -0.33 3.82 1.01 -0.80 -1.57 120.40 121.84 2bh1 s VAL 7 Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2bh1 s VAL 7 Cb -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2bh1 s VAL 7 CO 0.07 0.16 0.23 -0.60 0.00 0.00 0.00 175.10 174.96 2bh1 s ARG 8 N 0.76 3.57 0.03 2.72 6.06 -0.91 -0.27 118.95 130.91 2bh1 s ARG 8 Ca -0.09 -0.59 0.07 0.00 -2.50 0.00 0.00 55.73 52.62 2bh1 s ARG 8 Cb -0.12 -3.77 -0.03 0.00 0.06 0.00 0.00 34.95 31.09 2bh1 s ARG 8 CO -0.01 -0.40 -0.20 -1.17 -2.50 0.00 0.00 175.30 171.03 2bh1 s LEU 9 N 1.72 2.50 0.24 -0.88 2.96 0.17 -4.12 118.68 121.28 2bh1 s LEU 9 Ca 0.06 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2bh1 s LEU 9 Cb -0.17 -1.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 2bh1 s LEU 9 CO 0.10 0.27 0.01 -0.55 -1.32 0.00 0.00 176.35 174.86 2bh1 s SER 10 N -1.31 1.83 0.32 3.68 0.15 -1.26 -1.23 113.70 115.87 2bh1 s SER 10 Ca 0.14 -1.25 0.17 0.00 0.70 0.00 0.00 55.95 55.71 2bh1 s SER 10 Cb -0.10 0.01 0.14 0.00 -1.71 0.00 0.00 66.02 64.36 2bh1 s SER 10 CO 0.04 -0.54 1.49 0.77 1.20 0.00 0.00 173.24 176.20 2bh1 h SER 11 N 2.43 0.00 -2.00 5.45 4.64 -1.98 -3.41 113.55 118.68 2bh1 h SER 11 Ca -0.38 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.43 2bh1 h SER 11 Cb 1.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 2bh1 h SER 11 CO 0.65 0.36 1.29 -1.10 -0.87 0.00 0.00 176.83 177.16 2bh1 s GLN 12 N -3.03 2.72 0.40 4.77 -1.52 -1.26 -4.85 119.66 116.89 2bh1 s GLN 12 Ca 0.05 0.44 0.28 0.00 -1.95 0.00 0.00 55.36 54.18 2bh1 s GLN 12 Cb 0.07 -4.38 1.13 0.00 -0.22 0.00 0.00 33.01 29.60 2bh1 s GLN 12 CO 0.73 -2.66 1.84 0.87 -0.25 0.00 0.00 175.29 175.81 2bh1 h LYS 13 N 14.06 0.00 0.00 2.91 1.57 -2.01 -2.20 116.57 130.91 2bh1 h LYS 13 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2bh1 h LYS 13 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2bh1 h LYS 13 CO 1.23 0.00 -0.59 0.39 -0.57 0.00 0.00 179.45 179.91 2bh1 n GLU 14 N -2.67 0.03 -2.08 3.15 1.02 -1.26 -0.79 120.64 118.04 2bh1 n GLU 14 Ca 0.02 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 2bh1 n GLU 14 Cb 0.29 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2bh1 n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bh1 s ALA 15 N -3.02 2.82 0.32 0.62 0.00 -0.83 -4.01 121.76 117.66 2bh1 s ALA 15 Ca 0.10 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 2bh1 s ALA 15 Cb 0.17 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 2bh1 s ALA 15 CO 0.73 -0.96 1.53 -0.51 0.00 0.00 0.00 175.76 176.54 2bh1 s ASP 16 N -1.33 6.40 -0.28 0.00 1.11 -1.26 -2.27 116.67 119.04 2bh1 s ASP 16 Ca 0.69 2.95 -0.02 0.00 0.18 0.00 0.00 52.55 56.35 2bh1 s ASP 16 Cb -0.32 -2.65 0.04 0.00 1.07 0.00 0.00 42.92 41.06 2bh1 s ASP 16 CO 0.37 -0.87 -0.02 -0.63 1.18 0.00 0.00 175.17 175.21 2bh1 s ILE 17 N -0.44 3.01 0.42 0.77 1.01 -0.06 -4.88 121.20 121.04 2bh1 s ILE 17 Ca 0.59 -1.22 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 2bh1 s ILE 17 Cb -0.47 -2.65 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 2bh1 s ILE 17 CO 0.53 0.01 1.11 -2.84 0.00 0.00 0.00 174.94 173.75 2bh1 s PRO 18 N 1.29 4.01 0.07 2.79 0.02 -1.26 -1.53 135.00 140.39 2bh1 s PRO 18 Ca -0.03 1.66 -0.01 0.00 0.02 0.00 0.00 61.00 62.64 2bh1 s PRO 18 Cb -0.19 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 2bh1 s PRO 18 CO -0.02 -0.31 -0.01 1.67 -0.33 0.00 0.00 177.00 177.99 2bh1 s TRP 19 N -1.57 0.62 -0.28 6.54 1.48 -0.45 -2.15 118.94 123.13 2bh1 s TRP 19 Ca 0.60 -1.10 -0.21 0.00 -1.06 0.00 0.00 56.10 54.33 2bh1 s TRP 19 Cb -0.26 -0.42 0.10 0.00 -1.16 0.00 0.00 33.47 31.73 2bh1 s TRP 19 CO 0.32 -0.40 0.83 -1.17 -4.06 0.00 0.00 176.95 172.47 2bh1 s LEU 20 N -2.96 -0.69 -0.21 -4.66 0.20 -0.61 -1.94 118.68 107.82 2bh1 s LEU 20 Ca 0.11 1.22 -0.08 0.00 0.69 0.00 0.00 54.13 56.06 2bh1 s LEU 20 Cb 0.08 2.18 -0.04 0.00 -0.43 0.00 0.00 46.19 47.97 2bh1 s LEU 20 CO -0.07 -0.20 0.10 -0.69 -0.29 0.00 0.00 176.35 175.19 2bh1 s VAL 21 N 0.85 4.92 -0.08 1.68 1.01 0.37 -0.56 120.40 128.59 2bh1 s VAL 21 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2bh1 s VAL 21 Cb -0.05 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2bh1 s VAL 21 CO -0.09 0.40 -0.16 0.86 0.00 0.00 0.00 175.10 176.11 2bh1 s TRP 22 N 0.78 2.68 -0.47 5.22 -0.11 -0.23 -1.17 118.94 125.65 2bh1 s TRP 22 Ca 0.05 -0.48 -0.15 0.00 1.22 0.00 0.00 56.10 56.74 2bh1 s TRP 22 Cb -0.13 -1.71 0.08 0.00 -1.50 0.00 0.00 33.47 30.21 2bh1 s TRP 22 CO 0.02 -0.06 0.39 0.45 -4.62 0.00 0.00 176.95 173.12 2bh1 s SER 23 N -0.18 6.10 0.26 5.86 0.15 -0.26 -0.06 113.70 125.57 2bh1 s SER 23 Ca -0.01 -1.36 0.06 0.00 0.70 0.00 0.00 55.95 55.34 2bh1 s SER 23 Cb -0.13 -2.17 0.32 0.00 -1.71 0.00 0.00 66.02 62.33 2bh1 s SER 23 CO 0.03 -0.64 1.60 0.00 1.20 0.00 0.00 173.24 175.43 2bh1 h ALA 24 N 8.73 0.93 -0.14 5.45 0.00 -1.37 0.24 119.26 133.09 2bh1 h ALA 24 Ca -0.28 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.16 2bh1 h ALA 24 Cb 1.11 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2bh1 h ALA 24 CO 0.87 0.71 -0.25 1.49 0.00 0.00 0.00 179.25 182.07 2bh1 h GLU 25 N 0.14 -0.30 -0.01 0.00 4.81 -1.91 -3.06 114.58 114.25 2bh1 h GLU 25 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2bh1 h GLU 25 Cb 1.04 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2bh1 h GLU 25 CO 0.08 -0.20 -0.29 1.04 -0.73 0.00 0.00 179.01 178.92 2bh1 n GLN 26 N -5.37 1.28 -3.78 1.92 6.02 -1.18 -4.98 117.38 111.29 2bh1 n GLN 26 Ca -0.03 -0.94 -0.26 0.00 -0.01 0.00 0.00 57.00 55.77 2bh1 n GLN 26 Cb 0.29 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.09 2bh1 n GLN 26 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2bh1 n GLN 27 N -0.04 -3.17 -3.67 -1.09 1.13 0.78 -5.00 117.38 106.32 2bh1 n GLN 27 Ca 0.12 0.50 -0.13 0.00 -1.94 0.00 0.00 57.00 55.55 2bh1 n GLN 27 Cb 0.43 -4.65 -0.07 0.00 0.11 0.00 0.00 30.24 26.06 2bh1 n GLN 27 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2bh1 s GLU 28 N -6.15 0.89 0.07 -1.09 -1.05 -0.71 -5.01 118.70 105.65 2bh1 s GLU 28 Ca 0.15 -0.29 -0.31 0.00 -0.15 0.00 0.00 54.97 54.38 2bh1 s GLU 28 Cb -0.05 0.40 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 2bh1 s GLU 28 CO 0.85 -0.30 1.29 0.08 0.95 0.00 0.00 175.26 178.13 2bh1 s VAL 29 N -2.20 3.76 -0.21 1.83 1.01 -1.26 -1.10 120.40 122.23 2bh1 s VAL 29 Ca -0.07 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 2bh1 s VAL 29 Cb -0.01 -3.80 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 2bh1 s VAL 29 CO -0.00 0.08 0.06 -0.38 0.00 0.00 0.00 175.10 174.85 2bh1 n ILE 30 N 4.06 1.59 -3.67 2.22 5.41 -0.31 -4.94 119.36 123.71 2bh1 n ILE 30 Ca 0.10 -0.33 -0.10 0.00 1.00 0.00 0.00 62.75 63.42 2bh1 n ILE 30 Cb 0.45 -1.85 -0.04 0.00 -0.71 0.00 0.00 39.64 37.48 2bh1 n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bh1 s ALA 31 N -2.46 -0.95 0.22 -1.39 0.00 -1.24 -5.01 121.76 110.93 2bh1 s ALA 31 Ca -0.30 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2bh1 s ALA 31 Cb 0.09 0.78 0.04 0.00 0.00 0.00 0.00 23.12 24.02 2bh1 s ALA 31 CO 0.61 -0.71 0.78 -1.54 0.00 0.00 0.00 175.76 174.90 2bh1 s SER 32 N -2.83 -0.27 0.00 0.00 1.04 -1.26 -0.48 113.70 109.90 2bh1 s SER 32 Ca 0.06 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2bh1 s SER 32 Cb 0.01 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2bh1 s SER 32 CO -0.08 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2bh1 n GLY 33 N -0.44 -0.54 3.11 7.32 0.00 -0.82 -4.98 105.19 108.83 2bh1 n GLY 33 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2bh1 n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bh1 s GLN 34 N -1.52 0.26 0.05 1.61 0.74 -1.26 -1.34 119.66 118.19 2bh1 s GLN 34 Ca 0.00 0.56 0.04 0.00 0.05 0.00 0.00 55.36 56.01 2bh1 s GLN 34 Cb 0.00 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 2bh1 s GLN 34 CO 0.00 -0.15 -0.03 0.14 -0.55 0.00 0.00 175.29 174.71 2bh1 s VAL 35 N 1.16 3.89 -1.17 1.34 -7.23 -0.58 -4.92 120.40 112.90 2bh1 s VAL 35 Ca -0.08 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.06 2bh1 s VAL 35 Cb -0.09 -2.78 0.13 0.00 0.56 0.00 0.00 36.38 34.20 2bh1 s VAL 35 CO -0.08 0.25 1.45 0.00 -0.31 0.00 0.00 175.10 176.40 2bh1 s ALA 36 N -1.17 3.67 0.00 1.32 0.00 -1.26 -0.89 121.76 123.43 2bh1 s ALA 36 Ca 0.22 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 49.08 2bh1 s ALA 36 Cb -0.11 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2bh1 s ALA 36 CO 0.13 -2.97 0.00 0.41 0.00 0.00 0.00 175.76 173.33 2bh1 n GLY 37 N 4.80 0.20 0.30 0.00 0.00 -0.96 -4.12 105.19 105.40 2bh1 n GLY 37 Ca 0.37 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.58 2bh1 n GLY 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2bh1 h TRP 38 N 0.00 0.76 0.00 1.61 4.06 -1.20 -2.00 115.95 119.17 2bh1 h TRP 38 Ca 0.00 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 2bh1 h TRP 38 Cb 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 27.94 2bh1 h TRP 38 CO 0.00 0.26 -0.18 0.93 -3.56 0.00 0.00 178.44 175.89 2bh1 h GLU 39 N 0.68 0.00 -0.04 0.49 4.39 -1.83 -2.88 114.58 115.39 2bh1 h GLU 39 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2bh1 h GLU 39 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2bh1 h GLU 39 CO -0.29 0.18 0.00 0.00 -1.16 0.00 0.00 179.01 177.74 2bh1 n ALA 40 N -2.21 2.59 0.38 3.43 0.00 -0.75 -3.69 120.51 120.26 2bh1 n ALA 40 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.31 2bh1 n ALA 40 Cb 0.39 -1.26 0.45 0.00 0.00 0.00 0.00 19.45 19.02 2bh1 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bh1 n LEU 41 N -0.49 0.49 0.25 0.00 4.77 -1.09 -1.49 117.00 119.44 2bh1 n LEU 41 Ca 0.15 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 56.84 2bh1 n LEU 41 Cb 0.15 -0.58 0.60 0.00 -2.33 0.00 0.00 43.42 41.26 2bh1 n LEU 41 CO 0.12 -0.53 1.01 1.12 -1.33 0.00 0.00 177.39 177.78 2bh1 h HIS 42 N 0.00 0.00 0.00 -1.77 2.07 -1.83 -2.86 115.15 110.76 2bh1 h HIS 42 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2bh1 h HIS 42 Cb 0.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.27 2bh1 h HIS 42 CO 0.00 0.07 -0.03 0.93 -3.07 0.00 0.00 177.93 175.83 2bh1 h GLU 43 N 0.00 0.00 -0.06 5.12 5.08 -1.57 -2.80 114.58 120.35 2bh1 h GLU 43 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bh1 h GLU 43 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bh1 h GLU 43 CO 0.01 0.03 0.00 0.44 -1.00 0.00 0.00 179.01 178.48 2bh1 n ILE 44 N -3.31 1.89 0.06 3.13 -5.35 -1.08 -4.76 119.36 109.95 2bh1 n ILE 44 Ca -0.02 -2.09 -0.12 0.00 -0.27 0.00 0.00 62.75 60.25 2bh1 n ILE 44 Cb 0.15 -0.18 -0.05 0.00 -1.74 0.00 0.00 39.64 37.82 2bh1 n ILE 44 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2bh1 h GLU 45 N 0.38 -0.43 -1.13 6.28 5.08 -1.50 -2.47 114.58 120.80 2bh1 h GLU 45 Ca 0.00 0.03 0.32 0.00 -1.00 0.00 0.00 59.36 58.70 2bh1 h GLU 45 Cb 1.05 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 2bh1 h GLU 45 CO 0.04 -0.28 0.76 0.66 -1.00 0.00 0.00 179.01 179.19 2bh1 h SER 46 N -0.44 0.25 0.80 1.42 4.64 -1.85 0.22 113.55 118.59 2bh1 h SER 46 Ca 0.06 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2bh1 h SER 46 Cb 0.53 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2bh1 h SER 46 CO -0.25 0.03 -0.18 1.88 -0.87 0.00 0.00 176.83 177.44 2bh1 h TYR 47 N 0.21 0.00 0.00 4.77 -1.99 -1.79 -3.04 116.97 115.12 2bh1 h TYR 47 Ca 0.61 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.34 2bh1 h TYR 47 Cb 1.92 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.65 2bh1 h TYR 47 CO -0.00 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.34 2bh1 n ALA 48 N -2.22 2.28 -2.28 3.88 0.00 0.78 -4.78 120.51 118.17 2bh1 n ALA 48 Ca -0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2bh1 n ALA 48 Cb 0.37 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2bh1 n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bh1 s ASP 49 N -2.98 6.95 -1.50 0.00 1.11 -1.15 -2.97 116.67 116.13 2bh1 s ASP 49 Ca 0.14 2.18 -0.12 0.00 0.18 0.00 0.00 52.55 54.93 2bh1 s ASP 49 Cb 0.18 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.66 2bh1 s ASP 49 CO 0.50 -0.56 0.88 0.00 1.18 0.00 0.00 175.17 177.18 2bh1 n GLN 50 N 3.86 -5.18 -3.74 8.23 3.00 -1.26 -4.98 117.38 117.31 2bh1 n GLN 50 Ca 0.10 0.61 -0.12 0.00 -0.01 0.00 0.00 57.00 57.58 2bh1 n GLN 50 Cb 0.44 -5.48 -0.12 0.00 0.00 0.00 0.00 30.24 25.09 2bh1 n GLN 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2bh1 s ARG 51 N -6.44 0.31 0.09 -1.09 0.52 -1.16 -4.84 118.95 106.34 2bh1 s ARG 51 Ca 0.59 0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 56.02 2bh1 s ARG 51 Cb -0.30 0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.13 2bh1 s ARG 51 CO 0.73 -0.10 1.55 -1.12 0.02 0.00 0.00 175.30 176.38 2bh1 s SER 52 N 0.75 6.67 -0.19 0.23 0.01 -0.97 -4.72 113.70 115.49 2bh1 s SER 52 Ca -0.05 2.44 -0.13 0.00 1.31 0.00 0.00 55.95 59.52 2bh1 s SER 52 Cb -0.06 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2bh1 s SER 52 CO -0.05 -0.80 0.25 -0.69 0.41 0.00 0.00 173.24 172.36 2bh1 s VAL 53 N 1.93 5.32 -0.16 3.43 1.01 -1.22 -0.45 120.40 130.26 2bh1 s VAL 53 Ca 0.70 0.44 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2bh1 s VAL 53 Cb -0.39 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2bh1 s VAL 53 CO 0.31 0.37 -0.14 -0.69 0.00 0.00 0.00 175.10 174.94 2bh1 s VAL 54 N 0.68 1.67 -0.18 2.92 1.01 -0.35 -0.98 120.40 125.17 2bh1 s VAL 54 Ca 0.14 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 2bh1 s VAL 54 Cb -0.13 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2bh1 s VAL 54 CO 0.03 0.42 0.20 -0.69 0.00 0.00 0.00 175.10 175.06 2bh1 s VAL 55 N 1.44 5.37 -0.44 2.92 1.01 -0.21 -1.91 120.40 128.58 2bh1 s VAL 55 Ca 0.04 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 2bh1 s VAL 55 Cb -0.13 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2bh1 s VAL 55 CO -0.11 0.43 0.30 -0.76 0.00 0.00 0.00 175.10 174.97 2bh1 s LEU 56 N 0.30 5.35 0.07 3.92 1.43 0.63 -1.50 118.68 128.88 2bh1 s LEU 56 Ca 0.12 -1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 51.35 2bh1 s LEU 56 Cb -0.12 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2bh1 s LEU 56 CO 0.01 -0.59 1.01 -0.76 0.23 0.00 0.00 176.35 176.25 2bh1 s LEU 57 N 1.45 4.43 -0.08 1.79 1.43 -0.69 -0.66 118.68 126.35 2bh1 s LEU 57 Ca 0.04 1.80 -0.37 0.00 -1.03 0.00 0.00 54.13 54.56 2bh1 s LEU 57 Cb -0.24 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.25 2bh1 s LEU 57 CO 0.02 -0.21 1.66 0.00 0.23 0.00 0.00 176.35 178.05 2bh1 n ALA 58 N 3.34 0.10 0.48 4.21 0.00 -0.36 -0.55 120.51 127.74 2bh1 n ALA 58 Ca 0.05 0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.97 2bh1 n ALA 58 Cb 0.49 -2.27 0.35 0.00 0.00 0.00 0.00 19.45 18.02 2bh1 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bh1 n ALA 59 N 4.72 1.67 0.50 0.00 0.00 -1.26 -1.26 120.51 124.87 2bh1 n ALA 59 Ca 0.22 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.77 2bh1 n ALA 59 Cb 0.21 -1.27 0.42 0.00 0.00 0.00 0.00 19.45 18.81 2bh1 n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bh1 h SER 60 N 0.00 0.00 -0.66 0.00 4.64 -1.88 -2.85 113.55 112.79 2bh1 h SER 60 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bh1 h SER 60 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2bh1 h SER 60 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2bh1 n ASP 61 N -2.40 4.28 -4.37 4.97 8.00 -0.39 -4.99 116.55 121.64 2bh1 n ASP 61 Ca 0.04 -2.25 -0.19 0.00 0.71 0.00 0.00 54.79 53.10 2bh1 n ASP 61 Cb 0.38 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 2bh1 n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bh1 s LEU 62 N -1.46 2.51 -0.34 0.64 1.43 -1.08 -4.67 118.68 115.72 2bh1 s LEU 62 Ca 0.49 -1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2bh1 s LEU 62 Cb 0.29 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 2bh1 s LEU 62 CO 0.27 -0.24 0.24 -0.63 0.23 0.00 0.00 176.35 176.22 2bh1 s ILE 63 N -3.01 5.26 -0.21 -0.59 1.01 0.25 -4.97 121.20 118.94 2bh1 s ILE 63 Ca 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2bh1 s ILE 63 Cb 0.01 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.82 2bh1 s ILE 63 CO 0.08 -0.02 -0.08 -0.76 0.00 0.00 0.00 174.94 174.17 2bh1 s LEU 64 N 1.72 2.38 0.00 2.97 1.43 -1.26 -0.10 118.68 125.82 2bh1 s LEU 64 Ca 0.06 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 2bh1 s LEU 64 Cb -0.17 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.88 2bh1 s LEU 64 CO 0.10 -0.19 0.58 1.07 0.23 0.00 0.00 176.35 178.14 2bh1 n THR 65 N 4.69 0.00 -4.49 5.49 5.66 -0.53 -4.83 114.28 120.26 2bh1 n THR 65 Ca -0.13 -1.07 -0.30 0.00 -3.05 0.00 0.00 64.05 59.49 2bh1 n THR 65 Cb 0.45 0.87 -0.12 0.00 -1.55 0.00 0.00 70.33 69.98 2bh1 n THR 65 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2bh1 s SER 66 N -2.78 3.68 0.09 1.09 0.01 -1.26 -0.43 113.70 114.11 2bh1 s SER 66 Ca 0.17 -0.56 0.09 0.00 1.31 0.00 0.00 55.95 56.97 2bh1 s SER 66 Cb -0.03 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 2bh1 s SER 66 CO 0.13 0.21 -0.23 0.68 0.41 0.00 0.00 173.24 174.44 2bh1 s VAL 67 N -1.03 1.88 0.13 3.43 -7.23 0.01 -4.96 120.40 112.64 2bh1 s VAL 67 Ca 0.16 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 2bh1 s VAL 67 Cb -0.10 -1.67 -0.07 0.00 0.56 0.00 0.00 36.38 35.10 2bh1 s VAL 67 CO 0.07 0.08 1.10 -0.70 -0.31 0.00 0.00 175.10 175.34 2bh1 s GLU 68 N -1.71 4.57 -0.35 4.82 2.56 -1.26 -1.23 118.70 126.10 2bh1 s GLU 68 Ca 0.09 1.68 -0.20 0.00 0.00 0.00 0.00 54.97 56.53 2bh1 s GLU 68 Cb -0.10 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.72 2bh1 s GLU 68 CO 0.04 0.01 0.64 0.42 -0.56 0.00 0.00 175.26 175.81 2bh1 s ILE 69 N 0.15 4.89 0.19 -3.70 1.01 0.14 -4.92 121.20 118.96 2bh1 s ILE 69 Ca 0.51 0.61 -0.33 0.00 0.00 0.00 0.00 60.65 61.44 2bh1 s ILE 69 Cb -0.28 -4.07 -0.13 0.00 0.01 0.00 0.00 42.46 37.98 2bh1 s ILE 69 CO 0.33 -0.30 1.59 -2.65 0.00 0.00 0.00 174.94 173.90 2bh1 n PRO 70 N 6.04 2.32 -1.69 2.79 -0.02 -1.26 -4.81 135.00 138.36 2bh1 n PRO 70 Ca -0.01 0.83 -0.53 0.00 -2.02 0.00 0.00 63.50 61.77 2bh1 n PRO 70 Cb 0.49 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 2bh1 n PRO 70 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2bh1 n PRO 71 N 3.22 1.56 -0.34 0.52 -0.02 -1.26 -1.23 135.00 137.46 2bh1 n PRO 71 Ca 0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2bh1 n PRO 71 Cb 0.31 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2bh1 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bh1 n GLY 72 N 4.11 1.33 1.15 -1.23 0.00 -1.26 -4.90 105.19 104.37 2bh1 n GLY 72 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2bh1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bh1 n ALA 73 N -0.39 2.84 -0.01 4.61 0.00 -0.36 -4.69 120.51 122.50 2bh1 n ALA 73 Ca 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 53.44 51.82 2bh1 n ALA 73 Cb 0.00 -0.77 0.46 0.00 0.00 0.00 0.00 19.45 19.13 2bh1 n ALA 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2bh1 h SER 74 N 2.89 0.42 1.16 0.00 0.87 -1.91 -1.01 113.55 115.97 2bh1 h SER 74 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2bh1 h SER 74 Cb 1.27 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2bh1 h SER 74 CO 0.17 0.29 -0.12 0.03 -0.53 0.00 0.00 176.83 176.68 2bh1 h ARG 75 N 0.48 0.00 -0.65 2.24 -0.00 -1.97 -2.95 114.38 111.54 2bh1 h ARG 75 Ca 0.17 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.55 2bh1 h ARG 75 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.01 2bh1 h ARG 75 CO -0.04 0.12 0.13 1.04 0.00 0.00 0.00 179.97 181.21 2bh1 n GLN 76 N -3.22 4.34 -0.13 0.04 1.13 -0.40 -4.68 117.38 114.46 2bh1 n GLN 76 Ca 0.01 -3.14 -0.11 0.00 -1.94 0.00 0.00 57.00 51.83 2bh1 n GLN 76 Cb 0.41 -2.24 -0.02 0.00 0.11 0.00 0.00 30.24 28.50 2bh1 n GLN 76 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2bh1 h LEU 77 N 3.35 0.64 -0.72 1.08 6.46 -1.38 -2.66 115.31 122.08 2bh1 h LEU 77 Ca 0.13 -0.31 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 2bh1 h LEU 77 Cb 2.15 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.88 2bh1 h LEU 77 CO 0.61 0.79 0.27 -0.08 -0.62 0.00 0.00 178.44 179.41 2bh1 h GLU 78 N 0.47 1.10 -0.47 1.25 4.81 -1.85 -1.40 114.58 118.49 2bh1 h GLU 78 Ca 0.10 -0.21 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2bh1 h GLU 78 Cb 0.46 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2bh1 h GLU 78 CO 0.02 0.91 0.31 -0.91 -0.73 0.00 0.00 179.01 178.62 2bh1 h ASN 79 N 1.05 0.32 1.20 1.04 2.35 -1.87 -2.97 115.58 116.69 2bh1 h ASN 79 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2bh1 h ASN 79 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2bh1 h ASN 79 CO -0.02 0.21 -0.74 0.24 -1.65 0.00 0.00 177.43 175.47 2bh1 h MET 80 N 0.36 0.00 -0.59 0.81 2.86 -0.94 -3.40 114.93 114.03 2bh1 h MET 80 Ca 0.21 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 2bh1 h MET 80 Cb 0.35 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 2bh1 h MET 80 CO -0.05 0.00 0.14 -0.07 1.06 0.00 0.00 176.91 177.99 2bh1 h LEU 81 N 0.00 0.04 -0.33 1.22 3.38 -1.17 0.44 115.31 118.89 2bh1 h LEU 81 Ca 0.00 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2bh1 h LEU 81 Cb 0.97 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2bh1 h LEU 81 CO 0.00 0.03 -0.14 -0.65 0.09 0.00 0.00 178.44 177.77 2bh1 h PRO 82 N 0.28 -0.08 -0.54 1.13 0.11 -1.79 -0.50 132.00 130.61 2bh1 h PRO 82 Ca 0.31 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 2bh1 h PRO 82 Cb 0.44 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 2bh1 h PRO 82 CO -0.38 -0.05 -0.03 1.88 -0.21 0.00 0.00 178.00 179.21 2bh1 h TYR 83 N -0.08 1.03 -0.04 0.65 -1.99 -1.58 -0.86 116.97 114.10 2bh1 h TYR 83 Ca 0.17 -0.18 -0.12 0.00 2.00 0.00 0.00 58.73 60.60 2bh1 h TYR 83 Cb 0.34 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 2bh1 h TYR 83 CO -0.36 0.94 -0.52 -0.07 -0.00 0.00 0.00 178.16 178.15 2bh1 h LEU 84 N 0.87 0.13 0.00 3.88 3.38 -0.60 -3.31 115.31 119.65 2bh1 h LEU 84 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bh1 h LEU 84 Cb 0.56 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2bh1 h LEU 84 CO 0.03 0.63 -1.27 0.18 0.09 0.00 0.00 178.44 178.11 2bh1 n LEU 85 N -3.93 0.48 -0.29 1.67 4.77 -0.23 -4.69 117.00 114.78 2bh1 n LEU 85 Ca -0.02 -0.29 0.10 0.00 -0.03 0.00 0.00 56.01 55.78 2bh1 n LEU 85 Cb 0.55 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.85 2bh1 n LEU 85 CO 0.42 0.12 0.63 1.21 -1.33 0.00 0.00 177.39 178.44 2bh1 n GLU 86 N -1.73 -0.07 0.06 3.23 2.13 -0.34 0.46 120.64 124.39 2bh1 n GLU 86 Ca 0.00 1.27 0.12 0.00 0.66 0.00 0.00 57.16 59.22 2bh1 n GLU 86 Cb 0.36 -1.98 0.47 0.00 0.27 0.00 0.00 31.44 30.56 2bh1 n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2bh1 n ASP 87 N -5.25 0.43 -0.04 4.31 8.00 -1.26 -3.41 116.55 119.32 2bh1 n ASP 87 Ca 0.18 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.34 2bh1 n ASP 87 Cb 0.58 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 2bh1 n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bh1 n GLU 88 N -1.92 0.11 -4.25 -1.24 1.02 0.17 -4.95 120.64 109.59 2bh1 n GLU 88 Ca 0.05 -0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 2bh1 n GLU 88 Cb 0.33 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 2bh1 n GLU 88 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2bh1 s ILE 89 N -2.95 3.25 -0.34 -3.67 -4.36 -1.15 -5.04 121.20 106.93 2bh1 s ILE 89 Ca 0.09 -1.36 0.03 0.00 -0.26 0.00 0.00 60.65 59.16 2bh1 s ILE 89 Cb 0.16 -2.52 0.50 0.00 1.25 0.00 0.00 42.46 41.85 2bh1 s ILE 89 CO 0.82 0.08 1.69 0.00 0.24 0.00 0.00 174.94 177.77 2bh1 n ALA 90 N 0.64 4.83 -3.82 2.27 0.00 -1.26 -4.90 120.51 118.27 2bh1 n ALA 90 Ca -0.14 -2.17 -0.09 0.00 0.00 0.00 0.00 53.44 51.05 2bh1 n ALA 90 Cb 0.53 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 2bh1 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bh1 n GLN 91 N -0.73 0.68 -1.74 0.00 10.64 -1.26 -5.12 117.38 119.86 2bh1 n GLN 91 Ca 0.45 -2.23 -0.42 0.00 -1.83 0.00 0.00 57.00 52.97 2bh1 n GLN 91 Cb 1.38 2.28 -0.03 0.00 -0.86 0.00 0.00 30.24 33.01 2bh1 n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2bh1 s ASP 92 N -2.80 6.49 0.54 2.61 1.11 -1.26 -4.86 116.67 118.49 2bh1 s ASP 92 Ca 0.22 2.61 0.29 0.00 0.18 0.00 0.00 52.55 55.84 2bh1 s ASP 92 Cb -0.02 -2.54 1.54 0.00 1.07 0.00 0.00 42.92 42.97 2bh1 s ASP 92 CO 0.16 -1.02 2.10 1.62 1.18 0.00 0.00 175.17 179.20 2bh1 h VAL 93 N 5.50 0.50 -0.64 -1.27 3.04 -1.93 -1.07 116.25 120.38 2bh1 h VAL 93 Ca -0.47 -0.45 0.12 0.00 -1.01 0.00 0.00 66.70 64.89 2bh1 h VAL 93 Cb 1.22 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 31.77 2bh1 h VAL 93 CO 0.94 0.09 0.43 -0.33 -1.01 0.00 0.00 177.57 177.70 2bh1 h GLU 94 N 0.00 0.35 -0.01 4.17 3.07 -1.96 -2.45 114.58 117.76 2bh1 h GLU 94 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2bh1 h GLU 94 Cb 0.29 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2bh1 h GLU 94 CO 0.01 0.23 -0.01 -0.25 -1.40 0.00 0.00 179.01 177.60 2bh1 n ASP 95 N -4.46 0.57 -4.82 1.42 8.00 -0.41 -4.85 116.55 112.00 2bh1 n ASP 95 Ca 0.11 -1.14 -0.36 0.00 0.71 0.00 0.00 54.79 54.11 2bh1 n ASP 95 Cb 0.45 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 2bh1 n ASP 95 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bh1 s VAL 96 N -2.04 5.46 -0.27 2.53 1.01 -0.93 -1.23 120.40 124.94 2bh1 s VAL 96 Ca 0.43 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 2bh1 s VAL 96 Cb 0.21 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2bh1 s VAL 96 CO 0.37 0.55 0.64 -2.28 0.00 0.00 0.00 175.10 174.37 2bh1 s HIS 97 N -0.49 3.27 0.30 5.22 2.46 0.11 -4.82 115.29 121.34 2bh1 s HIS 97 Ca 0.13 0.77 0.07 0.00 0.47 0.00 0.00 55.06 56.50 2bh1 s HIS 97 Cb -0.12 -2.88 -0.03 0.00 -0.13 0.00 0.00 32.58 29.42 2bh1 s HIS 97 CO 0.02 -0.36 0.31 -0.06 -2.47 0.00 0.00 174.74 172.17 2bh1 s PHE 98 N 2.54 3.06 -0.30 3.88 0.40 -1.26 -1.05 117.98 125.25 2bh1 s PHE 98 Ca 0.26 -0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.30 2bh1 s PHE 98 Cb -0.15 -1.70 0.17 0.00 0.51 0.00 0.00 43.02 41.85 2bh1 s PHE 98 CO 0.09 0.27 0.80 0.00 0.70 0.00 0.00 175.22 177.08 2bh1 s VAL 100 N 2.77 4.54 0.02 0.00 1.01 -1.26 -0.34 120.40 127.15 2bh1 s VAL 100 Ca 0.04 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.35 2bh1 s VAL 100 Cb -0.11 -4.38 -0.32 0.00 0.00 0.00 0.00 36.38 31.58 2bh1 s VAL 100 CO -0.18 -0.53 0.95 -0.07 0.00 0.00 0.00 175.10 175.27 2bh1 h LEU 101 N 10.12 0.63 -7.49 3.92 3.38 -1.31 -3.49 115.31 121.07 2bh1 h LEU 101 Ca -0.22 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 2bh1 h LEU 101 Cb 1.07 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 2bh1 h LEU 101 CO 1.01 1.60 0.04 -0.55 0.09 0.00 0.00 178.44 180.62 2bh1 s SER 102 N -7.33 -0.31 -0.30 -0.43 0.15 -1.13 -5.01 113.70 99.36 2bh1 s SER 102 Ca -0.09 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.09 2bh1 s SER 102 Cb 0.05 0.56 0.14 0.00 -1.71 0.00 0.00 66.02 65.06 2bh1 s SER 102 CO 0.90 -0.99 0.74 -0.75 1.20 0.00 0.00 173.24 174.33 2bh1 s LYS 103 N -3.84 0.51 0.08 5.44 2.20 -1.26 -1.71 119.74 121.16 2bh1 s LYS 103 Ca 0.06 1.27 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2bh1 s LYS 103 Cb -0.00 0.75 0.01 0.00 -1.51 0.00 0.00 37.83 37.07 2bh1 s LYS 103 CO -0.07 -0.17 0.07 0.41 -0.36 0.00 0.00 175.35 175.23 2bh1 n GLY 104 N 5.29 2.75 0.21 5.54 0.00 0.50 -5.01 105.19 114.48 2bh1 n GLY 104 Ca -0.12 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.66 2bh1 n GLY 104 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2bh1 h ARG 105 N 0.00 0.47 0.00 1.61 -0.00 -2.02 -3.38 114.38 111.07 2bh1 h ARG 105 Ca -0.05 -0.25 -0.37 0.00 -0.00 0.00 0.00 59.98 59.32 2bh1 h ARG 105 Cb 0.17 0.01 -0.06 0.00 -0.00 0.00 0.00 29.97 30.09 2bh1 h ARG 105 CO 0.07 0.83 -2.35 0.39 -0.00 0.00 0.00 179.97 178.91 2bh1 n GLU 106 N -4.00 0.57 -4.50 0.08 1.02 -1.26 -4.83 120.64 107.73 2bh1 n GLU 106 Ca -0.02 0.16 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 2bh1 n GLU 106 Cb 0.53 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 2bh1 n GLU 106 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2bh1 s THR 107 N -2.47 1.35 -0.08 2.62 -4.23 -1.26 0.26 115.64 111.84 2bh1 s THR 107 Ca -0.32 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.12 2bh1 s THR 107 Cb 0.09 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2bh1 s THR 107 CO 0.52 0.00 0.20 0.00 -0.54 0.00 0.00 174.62 174.80 2bh1 s ALA 108 N -3.16 -0.49 -0.12 3.99 0.00 -0.36 -0.37 121.76 121.25 2bh1 s ALA 108 Ca 0.35 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2bh1 s ALA 108 Cb 0.09 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2bh1 s ALA 108 CO 0.16 -0.11 0.27 -0.51 0.00 0.00 0.00 175.76 175.57 2bh1 s ASP 109 N 0.27 6.50 -0.02 0.00 1.01 -0.69 -0.81 116.67 122.93 2bh1 s ASP 109 Ca -0.01 0.58 0.01 0.00 0.71 0.00 0.00 52.55 53.84 2bh1 s ASP 109 Cb -0.03 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.74 2bh1 s ASP 109 CO -0.01 0.22 -0.05 -0.69 0.21 0.00 0.00 175.17 174.86 2bh1 s VAL 110 N -0.22 0.45 -0.08 -1.27 1.01 0.43 -0.76 120.40 119.96 2bh1 s VAL 110 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2bh1 s VAL 110 Cb -0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 2bh1 s VAL 110 CO 0.06 0.16 -0.08 -0.69 0.00 0.00 0.00 175.10 174.55 2bh1 s VAL 111 N 0.27 3.61 0.03 2.92 1.01 0.54 -1.46 120.40 127.33 2bh1 s VAL 111 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2bh1 s VAL 111 Cb -0.07 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2bh1 s VAL 111 CO -0.00 0.58 -0.11 -0.83 0.00 0.00 0.00 175.10 174.74 2bh1 s GLY 112 N -0.59 0.62 0.02 4.51 0.00 0.86 -0.03 107.32 112.71 2bh1 s GLY 112 Ca 0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 2bh1 s GLY 112 CO 0.02 -0.66 0.06 0.54 0.00 0.00 0.00 173.10 173.06 2bh1 s VAL 113 N -0.77 0.11 0.09 1.40 0.11 -0.22 0.88 120.40 122.00 2bh1 s VAL 113 Ca -0.00 -0.92 -0.31 0.00 -2.93 0.00 0.00 61.98 57.82 2bh1 s VAL 113 Cb -0.07 -0.53 -0.10 0.00 -1.53 0.00 0.00 36.38 34.15 2bh1 s VAL 113 CO 0.01 -0.51 1.90 -0.62 -3.33 0.00 0.00 175.10 172.55 2bh1 s ASP 114 N -1.66 6.42 0.09 3.54 -1.08 -1.26 0.05 116.67 122.77 2bh1 s ASP 114 Ca -0.12 2.74 -0.18 0.00 -0.52 0.00 0.00 52.55 54.47 2bh1 s ASP 114 Cb -0.06 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.77 2bh1 s ASP 114 CO -0.01 -1.03 1.52 -0.09 0.52 0.00 0.00 175.17 176.07 2bh1 h ARG 115 N 9.51 0.47 -0.38 4.34 2.43 -1.48 -1.54 114.38 127.71 2bh1 h ARG 115 Ca -0.48 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.49 2bh1 h ARG 115 Cb 1.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2bh1 h ARG 115 CO 0.95 0.64 0.05 -0.07 -1.51 0.00 0.00 179.97 180.02 2bh1 h LEU 116 N 0.24 0.54 -0.11 3.80 4.07 -1.91 -1.43 115.31 120.52 2bh1 h LEU 116 Ca 0.07 -0.09 -0.23 0.00 0.08 0.00 0.00 57.88 57.71 2bh1 h LEU 116 Cb 0.44 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.05 2bh1 h LEU 116 CO 0.02 0.58 -0.83 -0.25 -1.08 0.00 0.00 178.44 176.88 2bh1 h TRP 117 N 0.57 1.04 -0.95 1.13 7.01 -1.91 -1.44 115.95 121.39 2bh1 h TRP 117 Ca 0.13 -0.49 0.01 0.00 2.11 0.00 0.00 58.89 60.64 2bh1 h TRP 117 Cb 0.29 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 2bh1 h TRP 117 CO 0.01 1.32 0.62 1.25 -2.79 0.00 0.00 178.44 178.86 2bh1 h LEU 118 N 0.47 1.11 -1.14 0.65 5.85 -1.18 -0.78 115.31 120.28 2bh1 h LEU 118 Ca -0.07 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2bh1 h LEU 118 Cb 1.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2bh1 h LEU 118 CO 0.17 0.81 0.01 -0.09 -0.34 0.00 0.00 178.44 179.00 2bh1 h ARG 119 N 1.30 0.61 -0.55 1.25 9.65 -1.14 -1.50 114.38 124.00 2bh1 h ARG 119 Ca 0.35 -0.14 -0.11 0.00 -1.10 0.00 0.00 59.98 58.98 2bh1 h ARG 119 Cb -0.13 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 2bh1 h ARG 119 CO -0.07 0.62 -0.09 0.00 2.80 0.00 0.00 179.97 183.23 2bh1 h ALA 120 N 1.44 0.75 -0.12 2.80 0.00 -0.69 -1.26 119.26 122.18 2bh1 h ALA 120 Ca 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bh1 h ALA 120 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2bh1 h ALA 120 CO 0.01 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.99 2bh1 h LEU 122 N 0.11 0.75 0.26 0.00 3.38 -1.21 -2.42 115.31 116.17 2bh1 h LEU 122 Ca 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2bh1 h LEU 122 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2bh1 h LEU 122 CO -0.01 0.99 -0.12 0.44 0.09 0.00 0.00 178.44 179.83 2bh1 h ASP 123 N 0.62 -0.29 -0.28 -0.43 5.19 -1.23 -1.96 116.42 118.03 2bh1 h ASP 123 Ca 0.08 -0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.45 2bh1 h ASP 123 Cb 0.80 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.31 2bh1 h ASP 123 CO 0.07 -0.07 -0.26 -0.74 -3.12 0.00 0.00 179.24 175.12 2bh1 h HIS 124 N -0.51 -0.69 -0.92 4.55 2.76 -1.31 0.32 115.15 119.35 2bh1 h HIS 124 Ca -0.04 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2bh1 h HIS 124 Cb 0.38 0.35 -0.08 0.00 1.55 0.00 0.00 27.41 29.61 2bh1 h HIS 124 CO -0.02 -0.33 0.55 -0.07 -1.30 0.00 0.00 177.93 176.76 2bh1 h LEU 125 N -0.25 0.79 -0.53 0.26 3.38 -1.46 -1.78 115.31 115.72 2bh1 h LEU 125 Ca 0.15 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2bh1 h LEU 125 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2bh1 h LEU 125 CO -0.43 0.43 -0.18 0.50 0.09 0.00 0.00 178.44 178.86 2bh1 h LYS 126 N 0.89 1.00 0.00 1.13 3.64 -0.45 0.34 116.57 123.12 2bh1 h LYS 126 Ca 0.45 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2bh1 h LYS 126 Cb 0.44 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2bh1 h LYS 126 CO -0.26 1.09 -0.12 0.00 -2.27 0.00 0.00 179.45 177.88 2bh1 h ALA 127 N 0.91 1.35 -0.23 5.00 0.00 -0.47 0.43 119.26 126.24 2bh1 h ALA 127 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2bh1 h ALA 127 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2bh1 h ALA 127 CO 0.06 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2bh1 n GLY 129 N 1.09 0.19 3.65 0.00 0.00 0.14 -4.80 105.19 105.47 2bh1 n GLY 129 Ca 0.14 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2bh1 n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bh1 s PHE 130 N -2.39 3.32 -0.95 1.61 0.40 0.07 -4.88 117.98 115.16 2bh1 s PHE 130 Ca 0.02 0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 56.54 2bh1 s PHE 130 Cb -0.01 -2.37 0.18 0.00 0.51 0.00 0.00 43.02 41.33 2bh1 s PHE 130 CO 0.03 0.01 1.04 0.34 0.70 0.00 0.00 175.22 177.33 2bh1 s ASP 131 N 1.15 6.81 -0.24 1.36 -1.08 -1.26 -4.13 116.67 119.28 2bh1 s ASP 131 Ca 0.11 -2.57 -0.29 0.00 -0.52 0.00 0.00 52.55 49.28 2bh1 s ASP 131 Cb -0.14 -2.31 -0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2bh1 s ASP 131 CO 0.06 -0.76 1.26 -0.69 0.52 0.00 0.00 175.17 175.57 2bh1 s VAL 132 N 1.21 4.24 -0.17 1.11 1.01 -1.26 -3.42 120.40 123.11 2bh1 s VAL 132 Ca 0.28 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.76 2bh1 s VAL 132 Cb -0.07 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 31.98 2bh1 s VAL 132 CO -0.08 -0.32 0.16 0.29 0.00 0.00 0.00 175.10 175.15 2bh1 n LYS 133 N 6.96 0.69 -4.10 2.72 5.02 -0.15 -4.97 118.16 124.33 2bh1 n LYS 133 Ca 0.14 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.48 2bh1 n LYS 133 Cb 0.46 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 2bh1 n LYS 133 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2bh1 s ARG 134 N -2.54 0.63 -0.04 1.97 0.52 -1.14 -4.97 118.95 113.37 2bh1 s ARG 134 Ca -0.21 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2bh1 s ARG 134 Cb 0.08 -0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.24 2bh1 s ARG 134 CO 0.74 0.05 0.02 0.08 0.02 0.00 0.00 175.30 176.21 2bh1 s VAL 135 N -1.86 0.12 0.05 3.52 1.01 -1.26 -1.04 120.40 120.93 2bh1 s VAL 135 Ca -0.04 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2bh1 s VAL 135 Cb -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 2bh1 s VAL 135 CO -0.00 0.17 0.13 -1.48 0.00 0.00 0.00 175.10 173.92 2bh1 s LEU 136 N 1.54 1.68 0.25 3.92 2.34 -0.56 0.36 118.68 128.20 2bh1 s LEU 136 Ca -0.03 -0.54 -0.31 0.00 0.06 0.00 0.00 54.13 53.31 2bh1 s LEU 136 Cb -0.13 0.73 -0.12 0.00 -0.56 0.00 0.00 46.19 46.12 2bh1 s LEU 136 CO -0.03 -0.56 1.67 -2.84 -1.06 0.00 0.00 176.35 173.53 2bh1 s PRO 137 N -2.87 4.12 0.39 1.48 0.02 -1.26 -1.70 135.00 135.17 2bh1 s PRO 137 Ca -0.03 2.60 0.10 0.00 0.02 0.00 0.00 61.00 63.70 2bh1 s PRO 137 Cb 0.00 -3.05 0.88 0.00 0.02 0.00 0.00 34.50 32.36 2bh1 s PRO 137 CO -0.06 -0.70 1.93 0.38 -0.33 0.00 0.00 177.00 178.22 2bh1 h ASP 138 N 5.90 0.55 0.32 2.53 2.03 -1.09 -0.74 116.42 125.92 2bh1 h ASP 138 Ca -0.45 0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 55.84 2bh1 h ASP 138 Cb 1.21 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2bh1 h ASP 138 CO 0.88 0.31 -0.13 -0.37 -1.03 0.00 0.00 179.24 178.91 2bh1 h VAL 139 N 0.60 0.66 -0.32 4.15 -1.51 -1.90 -2.03 116.25 115.90 2bh1 h VAL 139 Ca 0.36 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2bh1 h VAL 139 Cb 0.57 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2bh1 h VAL 139 CO -0.13 0.12 0.00 0.18 -1.23 0.00 0.00 177.57 176.51 2bh1 n LEU 140 N -3.76 2.09 -0.40 4.19 4.77 -0.28 -3.14 117.00 120.47 2bh1 n LEU 140 Ca -0.02 -1.05 0.05 0.00 -0.03 0.00 0.00 56.01 54.96 2bh1 n LEU 140 Cb 0.23 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2bh1 n LEU 140 CO 0.31 0.44 0.43 0.00 -1.33 0.00 0.00 177.39 177.24 2bh1 n ALA 141 N 0.44 2.44 -2.53 -1.18 0.00 -0.76 -4.77 120.51 114.14 2bh1 n ALA 141 Ca 0.11 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 2bh1 n ALA 141 Cb 0.37 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 2bh1 n ALA 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bh1 s ILE 142 N -0.81 4.44 0.19 0.00 1.01 -1.19 -4.11 121.20 120.74 2bh1 s ILE 142 Ca 0.12 1.74 -0.32 0.00 0.00 0.00 0.00 60.65 62.20 2bh1 s ILE 142 Cb 0.08 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 2bh1 s ILE 142 CO 0.12 -0.05 1.71 -2.16 0.00 0.00 0.00 174.94 174.55 2bh1 s PRO 143 N 2.58 4.14 0.07 2.79 0.04 -1.26 -4.99 135.00 138.37 2bh1 s PRO 143 Ca 0.52 2.56 0.08 0.00 0.04 0.00 0.00 61.00 64.20 2bh1 s PRO 143 Cb -0.21 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2bh1 s PRO 143 CO 0.17 -0.74 -0.21 0.50 0.04 0.00 0.00 177.00 176.76 2bh1 s ARG 144 N 1.34 1.30 0.91 4.56 3.52 -1.26 -4.82 118.95 124.51 2bh1 s ARG 144 Ca 0.75 -1.04 -0.14 0.00 -0.13 0.00 0.00 55.73 55.17 2bh1 s ARG 144 Cb -0.48 -1.49 0.14 0.00 -1.56 0.00 0.00 34.95 31.56 2bh1 s ARG 144 CO 0.32 0.37 1.19 -2.14 -0.81 0.00 0.00 175.30 174.23 2bh1 s PRO 145 N -1.47 1.12 0.25 5.12 0.02 -1.26 -4.98 135.00 133.80 2bh1 s PRO 145 Ca 0.07 0.05 -0.04 0.00 0.02 0.00 0.00 61.00 61.11 2bh1 s PRO 145 Cb -0.09 -1.86 0.37 0.00 0.02 0.00 0.00 34.50 32.94 2bh1 s PRO 145 CO 0.03 -2.16 1.86 1.05 -0.33 0.00 0.00 177.00 177.45 2bh1 h GLU 146 N -1.47 1.01 -6.88 5.54 4.11 -2.01 -3.43 114.58 111.46 2bh1 h GLU 146 Ca -0.47 -0.06 -0.69 0.00 0.07 0.00 0.00 59.36 58.21 2bh1 h GLU 146 Cb 1.31 -0.23 -0.22 0.00 0.50 0.00 0.00 28.75 30.11 2bh1 h GLU 146 CO 0.56 0.67 -0.87 -1.58 0.07 0.00 0.00 179.01 177.86 2bh1 s HIS 147 N -6.05 2.30 0.00 2.06 5.04 -1.26 -5.09 115.29 112.30 2bh1 s HIS 147 Ca -0.12 -0.38 0.00 0.00 -1.54 0.00 0.00 55.06 53.01 2bh1 s HIS 147 Cb 0.19 -1.26 0.00 0.00 0.04 0.00 0.00 32.58 31.56 2bh1 s HIS 147 CO 0.80 0.32 0.00 0.41 -2.34 0.00 0.00 174.74 173.93 2bh1 n GLY 148 N 0.99 -2.35 3.91 1.59 0.00 -1.26 -4.94 105.19 103.13 2bh1 n GLY 148 Ca -0.18 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 2bh1 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bh1 s LEU 149 N 0.00 4.17 0.03 0.99 1.43 0.15 -4.78 118.68 120.66 2bh1 s LEU 149 Ca 0.00 0.58 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2bh1 s LEU 149 Cb 0.00 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 2bh1 s LEU 149 CO 0.00 -0.08 -0.22 0.00 0.23 0.00 0.00 176.35 176.28 2bh1 s ALA 150 N -1.90 1.87 0.00 4.21 0.00 -0.53 -1.10 121.76 124.30 2bh1 s ALA 150 Ca 0.41 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2bh1 s ALA 150 Cb -0.11 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2bh1 s ALA 150 CO 0.28 0.44 0.23 0.00 0.00 0.00 0.00 175.76 176.71 2bh1 s ALA 151 N -0.72 -0.56 0.09 0.00 0.00 -0.07 0.00 121.76 120.50 2bh1 s ALA 151 Ca 0.09 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 2bh1 s ALA 151 Cb -0.09 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2bh1 s ALA 151 CO 0.01 -0.26 0.44 -0.48 0.00 0.00 0.00 175.76 175.47 2bh1 s LEU 152 N -1.47 0.26 -0.12 0.00 0.05 -0.56 -0.16 118.68 116.69 2bh1 s LEU 152 Ca -0.13 -0.11 -0.04 0.00 0.05 0.00 0.00 54.13 53.90 2bh1 s LEU 152 Cb -0.06 1.90 -0.04 0.00 -2.05 0.00 0.00 46.19 45.95 2bh1 s LEU 152 CO 0.02 -0.78 0.05 -1.58 -0.55 0.00 0.00 176.35 173.51 2bh1 s GLN 153 N -3.14 3.33 -0.19 1.48 0.74 -1.26 -0.26 119.66 120.36 2bh1 s GLN 153 Ca -0.01 -0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.04 2bh1 s GLN 153 Cb 0.00 -2.98 0.06 0.00 1.10 0.00 0.00 33.01 31.19 2bh1 s GLN 153 CO -0.07 0.61 0.04 -1.17 -0.55 0.00 0.00 175.29 174.15 2bh1 s LEU 154 N -0.60 1.13 0.00 3.68 2.96 -0.14 -4.97 118.68 120.74 2bh1 s LEU 154 Ca 0.11 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 2bh1 s LEU 154 Cb -0.12 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 46.00 2bh1 s LEU 154 CO 0.02 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 2bh1 n GLY 155 N 5.06 3.06 2.29 7.98 0.00 -1.26 -2.45 105.19 119.88 2bh1 n GLY 155 Ca -0.09 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2bh1 n GLY 155 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bh1 n ASP 156 N 4.02 6.87 -3.98 1.61 2.03 -1.26 -4.89 116.55 120.95 2bh1 n ASP 156 Ca 0.00 -3.76 -0.15 0.00 0.52 0.00 0.00 54.79 51.40 2bh1 n ASP 156 Cb 0.00 -0.93 -0.14 0.00 -0.72 0.00 0.00 41.12 39.33 2bh1 n ASP 156 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bh1 s GLU 157 N -3.72 0.45 -0.26 -0.67 2.02 -1.02 -2.18 118.70 113.31 2bh1 s GLU 157 Ca 0.63 -0.28 -0.12 0.00 0.02 0.00 0.00 54.97 55.22 2bh1 s GLU 157 Cb 0.50 -0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 2bh1 s GLU 157 CO 0.01 0.10 0.23 -1.58 0.02 0.00 0.00 175.26 174.05 2bh1 s TRP 158 N -0.32 3.27 -0.24 1.61 0.52 -0.64 -0.96 118.94 122.17 2bh1 s TRP 158 Ca 0.00 0.26 -0.14 0.00 0.02 0.00 0.00 56.10 56.24 2bh1 s TRP 158 Cb -0.03 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 2bh1 s TRP 158 CO -0.00 -0.08 0.32 -0.51 0.02 0.00 0.00 176.95 176.70 2bh1 s LEU 159 N 1.53 4.09 -0.08 2.99 1.43 0.63 -1.83 118.68 127.44 2bh1 s LEU 159 Ca 0.10 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 2bh1 s LEU 159 Cb -0.15 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 2bh1 s LEU 159 CO 0.08 -0.09 -0.23 -0.69 0.23 0.00 0.00 176.35 175.66 2bh1 s VAL 160 N 1.61 1.92 -0.15 -1.59 1.01 0.32 -1.50 120.40 122.02 2bh1 s VAL 160 Ca 0.14 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2bh1 s VAL 160 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2bh1 s VAL 160 CO 0.08 0.53 -0.06 -0.60 0.00 0.00 0.00 175.10 175.05 2bh1 s ARG 161 N 0.18 3.58 -0.25 2.72 3.52 0.10 -0.81 118.95 128.00 2bh1 s ARG 161 Ca -0.12 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 2bh1 s ARG 161 Cb -0.16 -2.84 -0.18 0.00 -1.56 0.00 0.00 34.95 30.21 2bh1 s ARG 161 CO 0.06 0.22 -0.18 1.17 -0.81 0.00 0.00 175.30 175.76 2bh1 n LYS 162 N 3.58 0.66 -2.26 5.12 4.81 0.13 -1.46 118.16 128.74 2bh1 n LYS 162 Ca -0.18 0.12 -0.04 0.00 -0.87 0.00 0.00 58.31 57.34 2bh1 n LYS 162 Cb 0.52 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.06 2bh1 n LYS 162 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2bh1 n SER 163 N -3.16 -0.76 -0.33 3.14 3.41 -0.94 -4.67 113.62 110.31 2bh1 n SER 163 Ca -0.43 -1.68 0.08 0.00 -0.26 0.00 0.00 58.87 56.58 2bh1 n SER 163 Cb 1.02 1.31 0.24 0.00 -0.26 0.00 0.00 64.21 66.52 2bh1 n SER 163 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2bh1 h THR 164 N 1.40 0.80 0.00 6.66 2.02 -1.98 -3.03 112.91 118.77 2bh1 h THR 164 Ca -0.12 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2bh1 h THR 164 Cb 0.48 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2bh1 h THR 164 CO 0.16 0.14 -0.23 0.35 0.37 0.00 0.00 175.52 176.32 2bh1 n THR 165 N -4.76 1.41 -4.38 3.16 -2.24 -1.26 -4.91 114.28 101.30 2bh1 n THR 165 Ca 0.19 -1.82 -0.25 0.00 -2.27 0.00 0.00 64.05 59.89 2bh1 n THR 165 Cb 0.42 -0.01 -0.17 0.00 -2.10 0.00 0.00 70.33 68.48 2bh1 n THR 165 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2bh1 s GLN 166 N -2.13 1.68 0.31 -0.78 -0.21 -1.15 -4.68 119.66 112.70 2bh1 s GLN 166 Ca 0.26 -0.38 -0.19 0.00 0.02 0.00 0.00 55.36 55.07 2bh1 s GLN 166 Cb 0.23 -1.49 0.06 0.00 1.00 0.00 0.00 33.01 32.81 2bh1 s GLN 166 CO 0.00 -0.06 0.86 0.20 -2.12 0.00 0.00 175.29 174.17 2bh1 s GLY 167 N 0.98 0.22 -0.15 3.09 0.00 -1.26 0.17 107.32 110.36 2bh1 s GLY 167 Ca -0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 44.72 43.95 2bh1 s GLY 167 CO -0.00 0.48 0.42 -0.29 0.00 0.00 0.00 173.10 173.71 2bh1 s MET 168 N -2.49 0.51 -0.09 2.90 1.75 0.01 -4.83 119.30 117.06 2bh1 s MET 168 Ca 0.17 0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 55.14 2bh1 s MET 168 Cb -0.04 0.25 -0.03 0.00 2.84 0.00 0.00 34.83 37.84 2bh1 s MET 168 CO 0.09 -0.07 -0.05 0.00 -0.65 0.00 0.00 175.02 174.34 2bh1 s ALA 169 N 0.12 3.03 0.17 4.11 0.00 -1.26 -0.52 121.76 127.40 2bh1 s ALA 169 Ca -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2bh1 s ALA 169 Cb -0.03 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2bh1 s ALA 169 CO 0.01 0.49 0.01 0.14 0.00 0.00 0.00 175.76 176.42 2bh1 s VAL 170 N -0.55 0.57 0.52 0.00 -7.23 -0.76 -4.58 120.40 108.37 2bh1 s VAL 170 Ca 0.08 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 2bh1 s VAL 170 Cb -0.12 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 2bh1 s VAL 170 CO 0.02 -0.46 1.27 -0.62 -0.31 0.00 0.00 175.10 174.99 2bh1 s ASP 171 N -3.15 5.59 0.54 4.85 2.15 -1.26 -1.63 116.67 123.75 2bh1 s ASP 171 Ca 0.24 2.54 0.27 0.00 0.43 0.00 0.00 52.55 56.03 2bh1 s ASP 171 Cb 0.06 -2.62 1.54 0.00 -0.30 0.00 0.00 42.92 41.60 2bh1 s ASP 171 CO 0.04 -1.34 2.13 0.00 -0.17 0.00 0.00 175.17 175.83 2bh1 h ALA 172 N 1.59 1.41 -0.00 3.66 0.00 -1.75 -1.05 119.26 123.13 2bh1 h ALA 172 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2bh1 h ALA 172 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2bh1 h ALA 172 CO 0.58 0.10 -0.03 0.94 0.00 0.00 0.00 179.25 180.84 2bh1 n GLN 173 N -3.78 0.51 -0.29 0.00 -0.06 -1.26 -3.01 117.38 109.48 2bh1 n GLN 173 Ca -0.02 -0.05 0.12 0.00 -2.00 0.00 0.00 57.00 55.05 2bh1 n GLN 173 Cb 0.18 -1.50 0.28 0.00 -4.06 0.00 0.00 30.24 25.14 2bh1 n GLN 173 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 2bh1 n TRP 174 N -1.20 0.76 -0.23 3.69 8.01 -0.40 -4.64 117.44 123.44 2bh1 n TRP 174 Ca 0.15 -0.38 -0.08 0.00 -1.31 0.00 0.00 57.50 55.87 2bh1 n TRP 174 Cb 0.24 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.59 2bh1 n TRP 174 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2bh1 h LEU 175 N 4.39 1.06 -1.09 -0.99 5.85 -1.62 -1.31 115.31 121.60 2bh1 h LEU 175 Ca 0.00 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 2bh1 h LEU 175 Cb 0.99 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2bh1 h LEU 175 CO 0.00 1.06 -0.42 0.77 -0.34 0.00 0.00 178.44 179.51 2bh1 h SER 176 N 1.02 0.00 -0.28 1.25 4.64 -1.85 -1.88 113.55 116.45 2bh1 h SER 176 Ca 0.19 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.40 2bh1 h SER 176 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2bh1 h SER 176 CO 0.02 0.42 -0.24 0.25 -0.87 0.00 0.00 176.83 176.41 2bh1 h LEU 177 N 0.00 0.78 -0.24 5.97 5.85 -1.66 -2.15 115.31 123.86 2bh1 h LEU 177 Ca -0.00 -0.29 -0.21 0.00 0.84 0.00 0.00 57.88 58.22 2bh1 h LEU 177 Cb 0.81 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.64 2bh1 h LEU 177 CO 0.05 0.99 -0.69 0.25 -0.34 0.00 0.00 178.44 178.70 2bh1 h LEU 178 N 0.67 0.90 -1.47 2.25 5.85 -1.08 -3.04 115.31 119.39 2bh1 h LEU 178 Ca 0.09 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 2bh1 h LEU 178 Cb 0.75 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2bh1 h LEU 178 CO 0.06 1.35 -0.24 0.00 -0.34 0.00 0.00 178.44 179.27 2bh1 h ALA 179 N 0.65 1.22 -0.23 1.25 0.00 -1.23 -2.62 119.26 118.31 2bh1 h ALA 179 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2bh1 h ALA 179 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2bh1 h ALA 179 CO 0.14 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2bh1 n ALA 180 N -2.32 2.50 -2.73 0.00 0.00 -0.82 -4.93 120.51 112.20 2bh1 n ALA 180 Ca -0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 2bh1 n ALA 180 Cb 0.35 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 2bh1 n ALA 180 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bh1 s SER 181 N -1.47 5.24 0.56 0.00 1.04 -0.99 -5.03 113.70 113.06 2bh1 s SER 181 Ca 0.32 -0.39 0.34 0.00 0.48 0.00 0.00 55.95 56.70 2bh1 s SER 181 Cb 0.17 -1.20 1.61 0.00 0.10 0.00 0.00 66.02 66.70 2bh1 s SER 181 CO 0.25 -0.08 2.09 0.44 0.98 0.00 0.00 173.24 176.93 2bh1 h ASP 182 N 1.55 0.00 0.18 7.02 3.45 -1.93 -2.59 116.42 124.12 2bh1 h ASP 182 Ca -0.47 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.99 2bh1 h ASP 182 Cb 1.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.01 2bh1 h ASP 182 CO 0.60 0.05 -0.02 -0.25 -1.57 0.00 0.00 179.24 178.06 2bh1 h TRP 183 N 0.00 0.00 -0.00 4.55 7.01 -1.96 -2.68 115.95 122.87 2bh1 h TRP 183 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2bh1 h TRP 183 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2bh1 h TRP 183 CO 0.00 0.02 -0.77 0.28 -2.79 0.00 0.00 178.44 175.18 2bh1 n VAL 184 N -3.37 0.00 -4.22 2.65 0.31 -0.97 -4.90 118.33 107.83 2bh1 n VAL 184 Ca -0.02 -0.08 -0.27 0.00 -0.01 0.00 0.00 64.34 63.96 2bh1 n VAL 184 Cb 0.13 0.95 -0.08 0.00 -0.91 0.00 0.00 33.84 33.93 2bh1 n VAL 184 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bh1 s GLN 185 N -2.83 2.35 -0.36 5.55 -2.07 -1.01 -2.11 119.66 119.17 2bh1 s GLN 185 Ca 0.12 -1.11 -0.07 0.00 -1.82 0.00 0.00 55.36 52.48 2bh1 s GLN 185 Cb 0.17 -2.33 0.05 0.00 -1.09 0.00 0.00 33.01 29.81 2bh1 s GLN 185 CO 0.75 0.46 0.14 1.21 -1.32 0.00 0.00 175.29 176.53 2bh1 s ASN 186 N -2.87 5.39 -1.29 12.60 2.47 0.67 -4.76 114.94 127.15 2bh1 s ASN 186 Ca 0.27 -1.26 -0.25 0.00 0.42 0.00 0.00 52.86 52.04 2bh1 s ASN 186 Cb -0.09 -1.89 0.03 0.00 -1.45 0.00 0.00 41.25 37.85 2bh1 s ASN 186 CO 0.18 -0.38 0.53 -0.62 -3.72 0.00 0.00 177.10 173.09 2bh1 n GLU 187 N 4.82 -0.56 0.00 0.43 1.02 -1.26 -2.23 120.64 122.86 2bh1 n GLU 187 Ca -0.11 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2bh1 n GLU 187 Cb 0.44 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2bh1 n GLU 187 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bh1 n GLY 188 N -2.18 3.02 3.78 0.62 0.00 -1.26 -5.03 105.19 104.13 2bh1 n GLY 188 Ca -0.16 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 2bh1 n GLY 188 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bh1 s GLU 189 N 0.00 4.61 0.11 1.61 2.12 -0.95 -5.01 118.70 121.20 2bh1 s GLU 189 Ca 0.00 1.33 -0.28 0.00 0.36 0.00 0.00 54.97 56.38 2bh1 s GLU 189 Cb 0.00 -2.87 -0.06 0.00 0.26 0.00 0.00 34.13 31.46 2bh1 s GLU 189 CO 0.00 0.32 0.89 0.71 -0.54 0.00 0.00 175.26 176.64 2bh1 s TYR 190 N -1.56 3.82 0.17 5.30 1.51 -1.26 -0.24 117.35 125.09 2bh1 s TYR 190 Ca 0.49 1.71 -0.27 0.00 -1.01 0.00 0.00 57.07 57.99 2bh1 s TYR 190 Cb -0.19 -2.96 -0.08 0.00 -0.11 0.00 0.00 41.96 38.62 2bh1 s TYR 190 CO 0.25 0.28 0.84 -0.51 -1.11 0.00 0.00 175.55 175.30 2bh1 s LEU 191 N -0.25 4.58 0.63 -1.29 1.43 -0.90 -4.86 118.68 118.02 2bh1 s LEU 191 Ca 0.43 1.72 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 2bh1 s LEU 191 Cb -0.23 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2bh1 s LEU 191 CO 0.28 0.14 1.06 -2.16 0.23 0.00 0.00 176.35 175.90 2bh1 s PRO 192 N -0.90 3.16 -0.03 1.29 0.04 -1.26 -4.42 135.00 132.88 2bh1 s PRO 192 Ca 0.39 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2bh1 s PRO 192 Cb -0.24 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2bh1 s PRO 192 CO 0.28 -0.93 -0.14 -1.17 0.04 0.00 0.00 177.00 175.08 2bh1 s LEU 193 N -4.88 1.90 -0.30 -3.56 0.20 -0.43 0.29 118.68 111.91 2bh1 s LEU 193 Ca 0.62 -0.27 -0.08 0.00 0.69 0.00 0.00 54.13 55.08 2bh1 s LEU 193 Cb -0.15 -0.78 0.00 0.00 -0.43 0.00 0.00 46.19 44.83 2bh1 s LEU 193 CO 0.43 0.13 0.11 -1.58 -0.29 0.00 0.00 176.35 175.15 2bh1 s GLN 194 N -0.01 3.23 -0.10 1.98 0.74 -0.26 -1.42 119.66 123.81 2bh1 s GLN 194 Ca -0.01 -0.78 -0.15 0.00 0.05 0.00 0.00 55.36 54.47 2bh1 s GLN 194 Cb -0.09 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 2bh1 s GLN 194 CO 0.01 -0.42 0.38 0.00 -0.55 0.00 0.00 175.29 174.71 2bh1 s ALA 195 N 1.55 3.59 -0.80 1.58 0.00 0.18 -0.89 121.76 126.98 2bh1 s ALA 195 Ca 0.04 -0.31 0.22 0.00 0.00 0.00 0.00 51.96 51.91 2bh1 s ALA 195 Cb -0.17 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.38 2bh1 s ALA 195 CO 0.04 0.19 0.93 1.28 0.00 0.00 0.00 175.76 178.20 2bh1 n LEU 196 N 3.04 0.74 -4.49 0.00 4.77 0.77 0.62 117.00 122.45 2bh1 n LEU 196 Ca -0.11 -0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.33 2bh1 n LEU 196 Cb 0.52 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2bh1 n LEU 196 CO 0.40 0.17 -0.46 0.42 -1.33 0.00 0.00 177.39 176.58 2bh1 s THR 197 N -3.10 2.65 0.31 -5.08 -4.23 -1.26 -4.15 115.64 100.78 2bh1 s THR 197 Ca 0.05 -2.21 -0.29 0.00 -1.18 0.00 0.00 61.69 58.06 2bh1 s THR 197 Cb 0.16 -2.37 -0.11 0.00 1.34 0.00 0.00 72.50 71.52 2bh1 s THR 197 CO 0.84 -0.32 1.46 -2.84 -0.54 0.00 0.00 174.62 173.22 2bh1 s PRO 198 N -3.33 4.21 0.51 3.99 0.02 -1.26 -4.80 135.00 134.34 2bh1 s PRO 198 Ca 0.28 2.42 -0.18 0.00 0.02 0.00 0.00 61.00 63.55 2bh1 s PRO 198 Cb -0.06 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 2bh1 s PRO 198 CO 0.15 -0.45 0.99 -0.51 -0.33 0.00 0.00 177.00 176.84 2bh1 s LEU 199 N -1.15 3.68 0.96 -5.54 1.43 -1.26 -4.98 118.68 111.82 2bh1 s LEU 199 Ca 0.56 1.64 -0.15 0.00 -1.03 0.00 0.00 54.13 55.15 2bh1 s LEU 199 Cb -0.44 -4.52 0.18 0.00 0.03 0.00 0.00 46.19 41.44 2bh1 s LEU 199 CO 0.52 -0.63 1.25 -2.16 0.23 0.00 0.00 176.35 175.56 2bh1 s PRO 200 N -3.85 0.66 -0.13 1.29 0.04 -1.26 -4.97 135.00 126.78 2bh1 s PRO 200 Ca 0.61 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 2bh1 s PRO 200 Cb -0.11 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2bh1 s PRO 200 CO 0.28 -2.43 1.81 -2.00 0.04 0.00 0.00 177.00 174.70 2bh1 s GLU 201 N -5.70 3.83 0.04 4.56 2.12 -1.26 -4.98 118.70 117.30 2bh1 s GLU 201 Ca 0.70 2.04 0.06 0.00 0.36 0.00 0.00 54.97 58.13 2bh1 s GLU 201 Cb -0.07 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 30.18 2bh1 s GLU 201 CO 0.53 -1.28 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.29 2bh1 s LEU 202 N 5.38 2.16 -0.29 2.70 1.43 -1.26 -5.01 118.68 123.80 2bh1 s LEU 202 Ca 0.81 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 2bh1 s LEU 202 Cb -0.32 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2bh1 s LEU 202 CO 0.33 0.09 0.12 -0.94 0.23 0.00 0.00 176.35 176.17 2bh1 s SER 203 N -1.10 5.38 0.34 2.29 1.04 -1.26 -5.09 113.70 115.29 2bh1 s SER 203 Ca 0.04 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.15 2bh1 s SER 203 Cb -0.08 -1.97 -0.06 0.00 0.10 0.00 0.00 66.02 64.01 2bh1 s SER 203 CO 0.01 -0.13 -0.09 -0.76 0.98 0.00 0.00 173.24 173.25 2bh1 s LEU 204 N 1.61 2.74 0.82 2.42 1.43 -1.26 -5.00 118.68 121.43 2bh1 s LEU 204 Ca 0.05 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.87 2bh1 s LEU 204 Cb -0.16 -1.03 0.09 0.00 0.03 0.00 0.00 46.19 45.12 2bh1 s LEU 204 CO 0.05 -0.19 1.10 0.00 0.23 0.00 0.00 176.35 177.54 2bh1 s ALA 205 N -2.60 1.98 0.27 4.21 0.00 -1.26 -4.90 121.76 119.46 2bh1 s ALA 205 Ca 0.33 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 2bh1 s ALA 205 Cb 0.02 -3.29 0.52 0.00 0.00 0.00 0.00 23.12 20.37 2bh1 s ALA 205 CO 0.17 -2.05 1.59 1.49 0.00 0.00 0.00 175.76 176.95 2bh1 h GLU 206 N -1.34 0.02 -0.32 0.00 4.81 -2.05 -1.96 114.58 113.74 2bh1 h GLU 206 Ca -0.45 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 2bh1 h GLU 206 Cb 1.25 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 2bh1 h GLU 206 CO 0.50 0.01 0.00 -2.37 -0.73 0.00 0.00 179.01 176.43 2bh1 n THR 207 N -5.51 2.41 -3.32 0.32 5.66 -1.26 -4.90 114.28 107.68 2bh1 n THR 207 Ca 0.17 -2.16 -0.47 0.00 -3.05 0.00 0.00 64.05 58.54 2bh1 n THR 207 Cb 0.55 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.02 2bh1 n THR 207 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2bh1 s GLN 208 N -2.98 3.38 -1.09 1.09 0.74 -0.74 -4.68 119.66 115.38 2bh1 s GLN 208 Ca 0.44 -2.17 -0.14 0.00 0.05 0.00 0.00 55.36 53.53 2bh1 s GLN 208 Cb 0.37 -4.39 0.18 0.00 1.10 0.00 0.00 33.01 30.27 2bh1 s GLN 208 CO 0.06 -1.31 1.25 -1.21 -0.55 0.00 0.00 175.29 173.52 2bh1 s GLU 209 N 0.73 3.93 -0.28 1.67 0.41 -1.26 -4.65 118.70 119.26 2bh1 s GLU 209 Ca 0.13 -2.44 -0.09 0.00 -0.41 0.00 0.00 54.97 52.16 2bh1 s GLU 209 Cb -0.17 -4.90 -0.02 0.00 -1.78 0.00 0.00 34.13 27.25 2bh1 s GLU 209 CO -0.04 -1.65 0.13 -1.58 -0.49 0.00 0.00 175.26 171.62 2bh1 s TRP 210 N 1.36 3.15 0.01 1.61 0.52 -1.26 -1.32 118.94 123.00 2bh1 s TRP 210 Ca 0.36 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 56.05 2bh1 s TRP 210 Cb -0.05 -2.31 -0.00 0.00 -1.15 0.00 0.00 33.47 29.95 2bh1 s TRP 210 CO -0.04 -0.36 0.11 -0.98 0.02 0.00 0.00 176.95 175.70 2bh1 s ARG 211 N 1.64 0.46 0.14 4.98 1.70 -0.51 -4.95 118.95 122.42 2bh1 s ARG 211 Ca 0.06 -0.45 -0.26 0.00 -0.47 0.00 0.00 55.73 54.61 2bh1 s ARG 211 Cb -0.16 0.19 -0.07 0.00 -0.57 0.00 0.00 34.95 34.33 2bh1 s ARG 211 CO 0.06 -0.11 0.81 -0.47 -1.08 0.00 0.00 175.30 174.52 2bh1 s TYR 212 N -1.43 3.87 -0.29 5.89 6.04 -1.26 -0.64 117.35 129.53 2bh1 s TYR 212 Ca -0.15 1.65 0.00 0.00 0.04 0.00 0.00 57.07 58.61 2bh1 s TYR 212 Cb -0.08 -2.83 0.09 0.00 -1.04 0.00 0.00 41.96 38.10 2bh1 s TYR 212 CO 0.01 0.43 0.05 -2.00 -1.54 0.00 0.00 175.55 172.50 2bh1 s GLU 213 N -0.82 1.03 -0.40 4.97 2.56 0.20 -4.87 118.70 121.37 2bh1 s GLU 213 Ca 0.38 -1.15 -0.42 0.00 0.00 0.00 0.00 54.97 53.78 2bh1 s GLU 213 Cb -0.23 -2.36 -0.17 0.00 2.00 0.00 0.00 34.13 33.37 2bh1 s GLU 213 CO 0.27 -0.87 1.85 -2.30 -0.56 0.00 0.00 175.26 173.65 2bh1 n PRO 214 N 4.72 0.55 0.00 4.30 -0.02 -1.26 -4.38 135.00 138.90 2bh1 n PRO 214 Ca -0.03 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2bh1 n PRO 214 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2bh1 n PRO 214 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2bh1 n SER 215 N 6.03 0.13 0.00 2.55 7.64 -1.26 -5.11 113.62 123.60 2bh1 n SER 215 Ca 0.36 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2bh1 n SER 215 Cb 0.05 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2bh1 n SER 215 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bh1 n GLY 216 N 0.12 -1.73 3.64 0.23 0.00 -1.26 -4.96 105.19 101.22 2bh1 n GLY 216 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 2bh1 n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bh1 s LEU 217 N 0.00 3.98 0.19 0.99 2.96 -1.26 -4.91 118.68 120.63 2bh1 s LEU 217 Ca 0.00 1.82 -0.15 0.00 -0.22 0.00 0.00 54.13 55.58 2bh1 s LEU 217 Cb 0.00 -3.53 0.17 0.00 0.50 0.00 0.00 46.19 43.33 2bh1 s LEU 217 CO 0.00 -1.23 1.66 0.58 -1.32 0.00 0.00 176.35 176.04 2bh1 h VAL 218 N 6.07 0.53 0.00 1.68 2.07 -1.94 0.01 116.25 124.67 2bh1 h VAL 218 Ca -0.36 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2bh1 h VAL 218 Cb 1.17 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2bh1 h VAL 218 CO 0.99 0.01 -0.20 0.24 0.02 0.00 0.00 177.57 178.62 2bh1 h MET 219 N 0.03 0.00 -0.15 1.57 2.86 -1.96 -1.78 114.93 115.50 2bh1 h MET 219 Ca 0.24 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2bh1 h MET 219 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2bh1 h MET 219 CO -0.48 0.20 -0.11 0.37 1.06 0.00 0.00 176.91 177.94 2bh1 h GLN 220 N 0.00 0.34 -0.72 1.72 4.15 -1.42 -1.92 115.11 117.26 2bh1 h GLN 220 Ca -0.00 -0.17 0.07 0.00 0.77 0.00 0.00 58.65 59.33 2bh1 h GLN 220 Cb 0.42 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 2bh1 h GLN 220 CO 0.03 0.70 0.39 -0.07 -1.93 0.00 0.00 178.83 177.95 2bh1 h LEU 221 N -0.01 0.57 -0.08 -2.39 3.38 -1.05 -0.79 115.31 114.93 2bh1 h LEU 221 Ca 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2bh1 h LEU 221 Cb 0.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2bh1 h LEU 221 CO 0.03 0.35 0.05 -0.07 0.09 0.00 0.00 178.44 178.89 2bh1 h LEU 222 N 0.70 0.10 -0.00 1.67 4.07 -1.33 -2.84 115.31 117.68 2bh1 h LEU 222 Ca 0.33 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 2bh1 h LEU 222 Cb 0.26 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 2bh1 h LEU 222 CO -0.21 0.14 0.00 0.74 -1.08 0.00 0.00 178.44 178.02 2bh1 h THR 223 N 0.06 1.23 -0.83 0.22 2.02 -1.05 0.19 112.91 114.75 2bh1 h THR 223 Ca 0.03 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.58 2bh1 h THR 223 Cb 0.05 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 2bh1 h THR 223 CO -0.01 0.18 0.52 1.56 0.37 0.00 0.00 175.52 178.14 2bh1 h GLN 224 N -0.29 0.93 -0.09 6.66 4.20 -1.23 -2.09 115.11 123.20 2bh1 h GLN 224 Ca 0.00 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2bh1 h GLN 224 Cb 0.29 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2bh1 h GLN 224 CO 0.00 0.62 -0.16 1.49 -0.67 0.00 0.00 178.83 180.11 2bh1 h GLU 225 N 0.96 0.27 -0.72 1.46 4.57 -1.42 -3.17 114.58 116.53 2bh1 h GLU 225 Ca 0.35 -0.17 0.16 0.00 -1.18 0.00 0.00 59.36 58.52 2bh1 h GLU 225 Cb 0.12 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.60 2bh1 h GLU 225 CO -0.15 0.75 -0.01 0.00 -1.18 0.00 0.00 179.01 178.41 2bh1 h ALA 226 N 0.52 0.72 0.00 2.92 0.00 -0.40 0.11 119.26 123.12 2bh1 h ALA 226 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2bh1 h ALA 226 Cb 0.73 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2bh1 h ALA 226 CO 0.04 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.15 2bh1 n LEU 227 N -5.34 0.05 0.08 0.00 4.77 -0.81 -1.19 117.00 114.56 2bh1 n LEU 227 Ca 0.12 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.55 2bh1 n LEU 227 Cb 0.44 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 41.11 2bh1 n LEU 227 CO 0.06 -0.32 0.44 0.74 -1.33 0.00 0.00 177.39 176.98 2bh1 h THR 228 N 0.00 1.39 -1.38 -5.08 2.02 -0.94 -3.47 112.91 105.45 2bh1 h THR 228 Ca 0.00 -2.04 -0.49 0.00 0.77 0.00 0.00 66.41 64.64 2bh1 h THR 228 Cb 0.21 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2bh1 h THR 228 CO 0.00 0.61 -0.34 -0.94 0.37 0.00 0.00 175.52 175.21 2bh1 s SER 229 N -6.91 5.06 -0.02 4.18 1.04 -0.33 -5.04 113.70 111.68 2bh1 s SER 229 Ca -0.04 -0.77 0.08 0.00 0.48 0.00 0.00 55.95 55.70 2bh1 s SER 229 Cb 0.12 -0.43 0.23 0.00 0.10 0.00 0.00 66.02 66.03 2bh1 s SER 229 CO 0.81 -0.74 1.19 0.29 0.98 0.00 0.00 173.24 175.76 2bh1 n LYS 230 N -1.63 2.85 -1.68 4.02 5.02 -1.26 -5.01 118.16 120.46 2bh1 n LYS 230 Ca 0.04 -1.98 -0.46 0.00 -2.02 0.00 0.00 58.31 53.90 2bh1 n LYS 230 Cb 0.62 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 2bh1 n LYS 230 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2bh1 n PHE 231 N 0.03 2.40 -3.54 2.13 3.72 -1.26 -4.98 117.46 115.96 2bh1 n PHE 231 Ca 0.09 -0.06 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 2bh1 n PHE 231 Cb 0.42 -2.69 -0.12 0.00 -0.94 0.00 0.00 39.48 36.16 2bh1 n PHE 231 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2bh1 s ASN 232 N 3.51 0.79 0.55 4.37 2.47 -1.26 -4.50 114.94 120.87 2bh1 s ASN 232 Ca 0.89 0.17 0.23 0.00 0.42 0.00 0.00 52.86 54.57 2bh1 s ASN 232 Cb -0.61 0.62 1.52 0.00 -1.45 0.00 0.00 41.25 41.33 2bh1 s ASN 232 CO 0.46 -0.29 2.18 -0.07 -3.72 0.00 0.00 177.10 175.66 2bh1 h LEU 233 N 8.28 0.00 -8.01 3.21 4.07 -0.48 -3.39 115.31 118.99 2bh1 h LEU 233 Ca -0.16 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.54 2bh1 h LEU 233 Cb 1.14 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.85 2bh1 h LEU 233 CO 0.22 0.03 0.83 -0.76 -1.08 0.00 0.00 178.44 177.69 2bh1 s LEU 234 N -8.20 2.89 0.21 1.67 1.43 -1.26 -4.81 118.68 110.61 2bh1 s LEU 234 Ca -0.05 -1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 51.52 2bh1 s LEU 234 Cb 0.16 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2bh1 s LEU 234 CO 0.61 -3.47 0.21 0.42 0.23 0.00 0.00 176.35 174.34 2bh1 s THR 235 N 12.42 0.01 0.00 5.49 -4.23 -1.26 -3.94 115.64 124.13 2bh1 s THR 235 Ca 0.71 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2bh1 s THR 235 Cb -0.02 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.43 2bh1 s THR 235 CO 0.14 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 2bh1 n GLY 236 N -0.29 2.90 0.00 3.99 0.00 -1.26 -1.60 105.19 108.93 2bh1 n GLY 236 Ca 0.01 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.93 2bh1 n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bh1 n SER 237 N 8.26 0.00 -0.41 1.61 3.41 -1.26 -3.06 113.62 122.17 2bh1 n SER 237 Ca 0.00 -0.65 0.08 0.00 -0.26 0.00 0.00 58.87 58.04 2bh1 n SER 237 Cb 0.00 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 2bh1 n SER 237 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2bh1 n PHE 238 N -1.09 0.00 0.74 7.33 3.01 -0.63 -5.19 117.46 121.63 2bh1 n PHE 238 Ca 0.19 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.71 2bh1 n PHE 238 Cb 0.14 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 39.96 2bh1 n PHE 238 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94