#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 2.92 -0.05 4.33 2.02 -1.26 -1.25 118.70 125.40 2bh1 s GLU 3 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.21 2bh1 s GLU 3 Cb 0.00 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 2bh1 s GLU 3 CO 0.00 0.12 -0.20 -0.06 0.02 0.00 0.00 175.26 175.14 2bh1 s PHE 4 N 0.49 2.56 -0.30 1.61 0.40 -0.24 -1.16 117.98 121.34 2bh1 s PHE 4 Ca -0.16 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.67 2bh1 s PHE 4 Cb -0.17 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.74 2bh1 s PHE 4 CO 0.06 -0.02 0.11 -1.17 0.70 0.00 0.00 175.22 174.91 2bh1 s LEU 5 N -0.43 3.97 -0.15 -0.37 2.96 -0.29 -1.03 118.68 123.34 2bh1 s LEU 5 Ca 0.05 -0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2bh1 s LEU 5 Cb -0.12 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2bh1 s LEU 5 CO 0.02 -0.20 0.12 -0.89 -1.32 0.00 0.00 176.35 174.08 2bh1 s THR 6 N 1.55 5.34 -0.04 3.68 2.01 -0.39 -1.29 115.64 126.50 2bh1 s THR 6 Ca 0.03 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.20 2bh1 s THR 6 Cb -0.17 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 68.99 2bh1 s THR 6 CO 0.04 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.76 2bh1 s VAL 7 N -0.51 0.71 -0.32 3.82 1.01 -0.60 -1.74 120.40 122.77 2bh1 s VAL 7 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2bh1 s VAL 7 Cb -0.12 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2bh1 s VAL 7 CO 0.02 0.25 0.14 -0.60 0.00 0.00 0.00 175.10 174.91 2bh1 s ARG 8 N 0.65 3.15 -0.08 2.72 6.06 -0.87 0.91 118.95 131.49 2bh1 s ARG 8 Ca -0.10 -0.84 0.04 0.00 -2.50 0.00 0.00 55.73 52.33 2bh1 s ARG 8 Cb -0.13 -3.54 -0.01 0.00 0.06 0.00 0.00 34.95 31.33 2bh1 s ARG 8 CO 0.01 -0.49 -0.21 -1.17 -2.50 0.00 0.00 175.30 170.95 2bh1 s LEU 9 N 1.56 2.30 0.42 -0.88 2.96 0.45 -4.06 118.68 121.43 2bh1 s LEU 9 Ca 0.03 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2bh1 s LEU 9 Cb -0.18 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2bh1 s LEU 9 CO 0.05 0.23 0.05 -0.94 -1.32 0.00 0.00 176.35 174.42 2bh1 s SER 10 N -0.07 3.31 0.02 3.68 1.04 -1.26 -0.49 113.70 119.92 2bh1 s SER 10 Ca -0.05 -1.53 0.26 0.00 0.48 0.00 0.00 55.95 55.11 2bh1 s SER 10 Cb -0.14 0.16 0.67 0.00 0.10 0.00 0.00 66.02 66.82 2bh1 s SER 10 CO 0.04 -0.72 1.54 -1.54 0.98 0.00 0.00 173.24 173.54 2bh1 n SER 11 N -1.07 0.41 -4.57 7.02 3.41 -1.26 -4.64 113.62 112.92 2bh1 n SER 11 Ca -0.09 -0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.11 2bh1 n SER 11 Cb 0.66 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.62 2bh1 n SER 11 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bh1 s GLN 12 N -3.02 3.11 0.00 4.33 -0.21 -1.26 -4.88 119.66 117.74 2bh1 s GLN 12 Ca 0.11 0.66 0.30 0.00 0.02 0.00 0.00 55.36 56.45 2bh1 s GLN 12 Cb 0.17 -4.21 1.54 0.00 1.00 0.00 0.00 33.01 31.51 2bh1 s GLN 12 CO 0.66 -2.15 2.03 1.63 -2.12 0.00 0.00 175.29 175.34 2bh1 n LYS 13 N 8.78 0.98 -0.00 2.91 5.02 -1.26 -2.57 118.16 132.01 2bh1 n LYS 13 Ca 0.16 -0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2bh1 n LYS 13 Cb 0.50 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 2bh1 n LYS 13 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2bh1 n GLU 14 N -0.80 1.31 -1.82 1.97 1.02 -1.26 -2.40 120.64 118.66 2bh1 n GLU 14 Ca 0.20 -0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.88 2bh1 n GLU 14 Cb 0.21 -1.29 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.73 3.23 0.27 0.62 0.00 -1.06 -3.95 121.76 118.14 2bh1 s ALA 15 Ca 0.01 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 2bh1 s ALA 15 Cb 0.11 -3.58 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 2bh1 s ALA 15 CO 0.64 -1.17 1.20 -0.25 0.00 0.00 0.00 175.76 176.18 2bh1 n ASP 16 N -0.19 2.02 -4.29 0.00 8.00 -1.26 -2.88 116.55 117.94 2bh1 n ASP 16 Ca 0.05 1.17 -0.37 0.00 0.71 0.00 0.00 54.79 56.35 2bh1 n ASP 16 Cb 0.42 -1.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.03 2bh1 n ASP 16 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2bh1 s ILE 17 N -0.69 3.77 0.43 0.53 1.01 -0.32 -4.84 121.20 121.10 2bh1 s ILE 17 Ca 0.62 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 2bh1 s ILE 17 Cb -0.68 -3.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 2bh1 s ILE 17 CO 0.57 -0.05 0.98 -2.16 0.00 0.00 0.00 174.94 174.28 2bh1 s PRO 18 N 1.43 4.14 0.03 2.79 0.04 -1.26 -1.29 135.00 140.89 2bh1 s PRO 18 Ca 0.00 1.22 -0.06 0.00 0.04 0.00 0.00 61.00 62.20 2bh1 s PRO 18 Cb -0.18 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2bh1 s PRO 18 CO 0.02 -0.12 0.11 1.67 0.04 0.00 0.00 177.00 178.73 2bh1 s TRP 19 N -2.05 0.14 -0.20 0.56 1.48 -0.57 -2.05 118.94 116.24 2bh1 s TRP 19 Ca 0.62 -0.38 -0.10 0.00 -1.06 0.00 0.00 56.10 55.19 2bh1 s TRP 19 Cb -0.12 -0.10 0.08 0.00 -1.16 0.00 0.00 33.47 32.16 2bh1 s TRP 19 CO 0.16 -0.35 0.48 -1.17 -4.06 0.00 0.00 176.95 172.01 2bh1 s LEU 20 N -1.90 -0.46 -0.21 -4.66 0.20 -0.71 -1.62 118.68 109.32 2bh1 s LEU 20 Ca -0.08 1.07 -0.16 0.00 0.69 0.00 0.00 54.13 55.65 2bh1 s LEU 20 Cb -0.03 1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 47.28 2bh1 s LEU 20 CO -0.03 -0.21 0.39 -0.69 -0.29 0.00 0.00 176.35 175.52 2bh1 s VAL 21 N 1.88 5.20 -0.07 1.68 1.01 0.94 -1.26 120.40 129.78 2bh1 s VAL 21 Ca -0.07 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2bh1 s VAL 21 Cb -0.09 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2bh1 s VAL 21 CO -0.14 0.25 -0.13 0.86 0.00 0.00 0.00 175.10 175.94 2bh1 s TRP 22 N 1.34 1.51 -0.37 5.22 -0.11 -0.20 -1.16 118.94 125.16 2bh1 s TRP 22 Ca 0.19 -0.56 -0.16 0.00 1.22 0.00 0.00 56.10 56.79 2bh1 s TRP 22 Cb -0.15 -1.10 0.00 0.00 -1.50 0.00 0.00 33.47 30.73 2bh1 s TRP 22 CO 0.08 -0.28 0.39 0.45 -4.62 0.00 0.00 176.95 172.96 2bh1 s SER 23 N 0.64 6.18 0.20 5.86 0.15 -0.34 -1.08 113.70 125.32 2bh1 s SER 23 Ca -0.15 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.20 2bh1 s SER 23 Cb -0.16 -2.21 0.09 0.00 -1.71 0.00 0.00 66.02 62.04 2bh1 s SER 23 CO 0.04 -0.42 1.46 0.00 1.20 0.00 0.00 173.24 175.51 2bh1 h ALA 24 N 8.56 0.68 0.62 5.45 0.00 -1.48 0.36 119.26 133.45 2bh1 h ALA 24 Ca -0.29 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 53.89 2bh1 h ALA 24 Cb 1.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2bh1 h ALA 24 CO 0.73 0.98 -0.51 1.49 0.00 0.00 0.00 179.25 181.95 2bh1 h GLU 25 N 0.00 -1.05 0.00 0.00 4.81 -1.92 -3.17 114.58 113.24 2bh1 h GLU 25 Ca -0.01 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2bh1 h GLU 25 Cb 1.41 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.03 2bh1 h GLU 25 CO 0.10 -0.70 -0.37 1.04 -0.73 0.00 0.00 179.01 178.35 2bh1 n GLN 26 N -5.57 0.21 -3.29 1.92 6.02 -1.23 -4.95 117.38 110.48 2bh1 n GLN 26 Ca -0.13 0.10 -0.17 0.00 -0.01 0.00 0.00 57.00 56.79 2bh1 n GLN 26 Cb 0.48 -1.67 0.07 0.00 1.02 0.00 0.00 30.24 30.15 2bh1 n GLN 26 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2bh1 n GLN 27 N -1.99 -6.04 -3.83 -1.09 -0.06 0.12 -5.02 117.38 99.47 2bh1 n GLN 27 Ca 0.05 0.71 -0.11 0.00 -2.00 0.00 0.00 57.00 55.65 2bh1 n GLN 27 Cb 0.41 -5.36 -0.09 0.00 -4.06 0.00 0.00 30.24 21.15 2bh1 n GLN 27 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2bh1 s GLU 28 N -5.51 0.66 0.02 3.69 -1.05 -0.69 -5.00 118.70 110.83 2bh1 s GLU 28 Ca 0.18 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.20 2bh1 s GLU 28 Cb -0.08 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 2bh1 s GLU 28 CO 0.62 -0.19 1.10 0.08 0.95 0.00 0.00 175.26 177.82 2bh1 s VAL 29 N -2.13 4.43 -0.18 1.83 1.01 -1.26 -1.20 120.40 122.90 2bh1 s VAL 29 Ca -0.08 1.74 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 2bh1 s VAL 29 Cb -0.03 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 2bh1 s VAL 29 CO -0.01 0.13 0.24 -0.38 0.00 0.00 0.00 175.10 175.07 2bh1 n ILE 30 N 3.96 1.64 -3.45 2.22 5.41 -0.31 -4.96 119.36 123.86 2bh1 n ILE 30 Ca 0.08 -0.31 -0.11 0.00 1.00 0.00 0.00 62.75 63.41 2bh1 n ILE 30 Cb 0.48 -1.90 -0.02 0.00 -0.71 0.00 0.00 39.64 37.50 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 -2.45 -1.68 0.13 -1.39 0.00 -1.22 -5.01 121.76 110.13 2bh1 s ALA 31 Ca -0.27 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 2bh1 s ALA 31 Cb 0.07 0.68 0.07 0.00 0.00 0.00 0.00 23.12 23.94 2bh1 s ALA 31 CO 0.66 -0.72 0.88 -1.54 0.00 0.00 0.00 175.76 175.04 2bh1 s SER 32 N -2.59 -0.26 0.00 0.00 1.04 -1.26 -0.04 113.70 110.58 2bh1 s SER 32 Ca 0.02 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2bh1 s SER 32 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2bh1 s SER 32 CO -0.11 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2bh1 n GLY 33 N -0.41 -0.54 2.89 7.32 0.00 -0.64 -5.00 105.19 108.81 2bh1 n GLY 33 Ca -0.07 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2bh1 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bh1 s GLN 34 N -1.13 0.05 0.17 1.61 -0.21 -1.26 -1.51 119.66 117.38 2bh1 s GLN 34 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.55 2bh1 s GLN 34 Cb 0.00 -0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.90 2bh1 s GLN 34 CO 0.00 -0.08 0.34 0.14 -2.12 0.00 0.00 175.29 173.58 2bh1 s VAL 35 N 0.50 5.26 -1.30 1.09 -7.23 -0.41 -4.89 120.40 113.42 2bh1 s VAL 35 Ca -0.04 -0.48 -0.10 0.00 -1.81 0.00 0.00 61.98 59.55 2bh1 s VAL 35 Cb -0.06 -3.73 0.16 0.00 0.56 0.00 0.00 36.38 33.31 2bh1 s VAL 35 CO -0.02 -0.12 1.90 0.00 -0.31 0.00 0.00 175.10 176.55 2bh1 n ALA 36 N -0.56 5.37 0.00 1.32 0.00 -1.26 -1.17 120.51 124.21 2bh1 n ALA 36 Ca -0.06 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.11 2bh1 n ALA 36 Cb 0.54 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.96 2bh1 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bh1 n GLY 37 N 2.92 1.47 0.28 0.00 0.00 -1.14 -4.34 105.19 104.37 2bh1 n GLY 37 Ca 0.41 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.72 2bh1 n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bh1 n TRP 38 N 1.42 0.58 0.64 1.61 7.02 -1.01 -0.53 117.44 127.17 2bh1 n TRP 38 Ca 0.00 0.97 0.13 0.00 -1.02 0.00 0.00 57.50 57.58 2bh1 n TRP 38 Cb 0.00 -1.14 0.38 0.00 -2.42 0.00 0.00 31.31 28.12 2bh1 n TRP 38 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2bh1 n GLU 39 N -5.09 0.25 -0.02 -0.99 -0.58 -1.26 -2.41 120.64 110.54 2bh1 n GLU 39 Ca 0.21 0.18 0.13 0.00 -0.42 0.00 0.00 57.16 57.26 2bh1 n GLU 39 Cb 0.68 -1.77 0.63 0.00 -0.57 0.00 0.00 31.44 30.42 2bh1 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bh1 n ALA 40 N -1.78 2.61 0.28 0.62 0.00 0.31 -4.04 120.51 118.52 2bh1 n ALA 40 Ca 0.05 -0.31 0.15 0.00 0.00 0.00 0.00 53.44 53.34 2bh1 n ALA 40 Cb 0.43 -1.29 0.85 0.00 0.00 0.00 0.00 19.45 19.43 2bh1 n ALA 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bh1 h LEU 41 N 1.04 0.00 -1.62 0.00 6.46 -1.47 -2.59 115.31 117.13 2bh1 h LEU 41 Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2bh1 h LEU 41 Cb 0.22 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 2bh1 h LEU 41 CO 0.00 0.06 0.37 1.12 -0.62 0.00 0.00 178.44 179.37 2bh1 h HIS 42 N 0.00 0.46 -0.03 1.25 2.07 -1.82 -2.82 115.15 114.26 2bh1 h HIS 42 Ca -0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2bh1 h HIS 42 Cb 0.20 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.03 2bh1 h HIS 42 CO 0.00 0.24 0.00 -0.85 -3.07 0.00 0.00 177.93 174.25 2bh1 n GLU 43 N -4.47 1.09 -0.07 5.12 0.28 -0.98 -2.06 120.64 119.55 2bh1 n GLU 43 Ca 0.08 -0.12 0.02 0.00 -0.16 0.00 0.00 57.16 56.98 2bh1 n GLU 43 Cb 0.29 -1.10 0.03 0.00 1.43 0.00 0.00 31.44 32.09 2bh1 n GLU 43 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2bh1 n ILE 44 N -0.34 0.84 -0.34 3.84 -5.35 -1.06 -4.85 119.36 112.09 2bh1 n ILE 44 Ca 0.01 -0.91 0.13 0.00 -0.27 0.00 0.00 62.75 61.71 2bh1 n ILE 44 Cb 0.07 0.47 0.34 0.00 -1.74 0.00 0.00 39.64 38.77 2bh1 n ILE 44 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2bh1 h GLU 45 N 0.00 0.73 -0.15 6.28 4.81 -1.50 -1.69 114.58 123.05 2bh1 h GLU 45 Ca 0.00 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2bh1 h GLU 45 Cb 0.81 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2bh1 h GLU 45 CO 0.00 0.48 0.11 0.66 -0.73 0.00 0.00 179.01 179.53 2bh1 h SER 46 N 0.75 0.00 1.02 1.04 4.64 -1.89 -0.56 113.55 118.55 2bh1 h SER 46 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2bh1 h SER 46 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2bh1 h SER 46 CO -0.34 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.40 2bh1 n TYR 47 N -4.42 0.70 0.73 4.77 4.02 -0.64 -3.42 117.16 118.90 2bh1 n TYR 47 Ca 0.01 0.24 0.13 0.00 -0.01 0.00 0.00 57.90 58.26 2bh1 n TYR 47 Cb 0.24 -0.88 0.49 0.00 -0.02 0.00 0.00 39.34 39.16 2bh1 n TYR 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bh1 n ALA 48 N -1.72 2.16 -2.61 -0.72 0.00 -0.22 -4.73 120.51 112.67 2bh1 n ALA 48 Ca 0.04 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2bh1 n ALA 48 Cb 0.31 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -3.75 7.22 -2.02 0.00 1.11 -1.22 -2.84 116.67 115.17 2bh1 s ASP 49 Ca 0.11 1.69 0.00 0.00 0.18 0.00 0.00 52.55 54.53 2bh1 s ASP 49 Cb 0.14 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2bh1 s ASP 49 CO 0.51 -0.42 0.00 0.00 1.18 0.00 0.00 175.17 176.44 2bh1 n GLN 50 N 4.60 -1.53 -4.88 8.23 3.00 -1.26 -5.00 117.38 120.53 2bh1 n GLN 50 Ca 0.08 1.14 -0.26 0.00 -0.01 0.00 0.00 57.00 57.95 2bh1 n GLN 50 Cb 0.49 -5.63 -0.16 0.00 0.00 0.00 0.00 30.24 24.94 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 -4.30 1.54 -0.15 -1.09 0.52 -1.13 -4.71 118.95 109.63 2bh1 s ARG 51 Ca 0.00 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 2bh1 s ARG 51 Cb 0.00 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 2bh1 s ARG 51 CO 0.00 0.38 1.59 -1.12 0.02 0.00 0.00 175.30 176.17 2bh1 s SER 52 N -0.37 6.56 -0.05 0.23 0.01 -0.31 -4.76 113.70 115.02 2bh1 s SER 52 Ca 0.06 1.88 -0.24 0.00 1.31 0.00 0.00 55.95 58.96 2bh1 s SER 52 Cb -0.08 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2bh1 s SER 52 CO -0.00 -1.06 0.73 -0.69 0.41 0.00 0.00 173.24 172.62 2bh1 s VAL 53 N 4.54 5.00 -0.20 3.43 1.01 -1.19 -1.14 120.40 131.85 2bh1 s VAL 53 Ca 0.70 1.51 0.01 0.00 0.00 0.00 0.00 61.98 64.20 2bh1 s VAL 53 Cb -0.28 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.07 2bh1 s VAL 53 CO 0.27 0.26 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 2bh1 s VAL 54 N 0.72 1.74 -0.24 2.92 1.01 -0.41 -1.17 120.40 124.97 2bh1 s VAL 54 Ca 0.39 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 2bh1 s VAL 54 Cb -0.18 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2bh1 s VAL 54 CO 0.19 0.23 0.23 -0.69 0.00 0.00 0.00 175.10 175.06 2bh1 s VAL 55 N 1.37 5.31 -0.33 2.92 1.01 0.20 -1.56 120.40 129.32 2bh1 s VAL 55 Ca -0.00 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2bh1 s VAL 55 Cb -0.16 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2bh1 s VAL 55 CO -0.09 0.31 0.24 -0.76 0.00 0.00 0.00 175.10 174.80 2bh1 s LEU 56 N 1.23 4.45 -0.01 3.92 1.43 0.26 -1.35 118.68 128.61 2bh1 s LEU 56 Ca 0.11 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 2bh1 s LEU 56 Cb -0.14 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2bh1 s LEU 56 CO 0.06 -0.22 0.54 -0.76 0.23 0.00 0.00 176.35 176.20 2bh1 s LEU 57 N 1.75 4.42 -0.01 1.79 1.43 -0.33 -0.41 118.68 127.32 2bh1 s LEU 57 Ca 0.07 1.08 -0.35 0.00 -1.03 0.00 0.00 54.13 53.90 2bh1 s LEU 57 Cb -0.17 -2.82 -0.13 0.00 0.03 0.00 0.00 46.19 43.09 2bh1 s LEU 57 CO 0.11 0.14 1.74 0.00 0.23 0.00 0.00 176.35 178.57 2bh1 n ALA 58 N 2.62 0.86 0.25 4.21 0.00 0.35 -0.45 120.51 128.34 2bh1 n ALA 58 Ca -0.08 0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.80 2bh1 n ALA 58 Cb 0.51 -2.41 0.62 0.00 0.00 0.00 0.00 19.45 18.18 2bh1 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bh1 h ALA 59 N 7.70 1.66 -0.10 0.00 0.00 -1.93 -1.02 119.26 125.57 2bh1 h ALA 59 Ca -0.47 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.36 2bh1 h ALA 59 Cb 1.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bh1 h ALA 59 CO 0.92 0.14 0.16 0.66 0.00 0.00 0.00 179.25 181.13 2bh1 h SER 60 N 0.00 0.00 -0.44 0.00 4.64 -1.90 0.18 113.55 116.03 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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2bh1 h SER 60 CO 0.01 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 2bh1 n ASP 61 N -3.52 2.77 -4.17 4.97 8.00 -0.39 -4.97 116.55 119.24 2bh1 n ASP 61 Ca -0.00 -2.11 -0.13 0.00 0.71 0.00 0.00 54.79 53.25 2bh1 n ASP 61 Cb 0.26 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.14 2.45 -0.21 0.64 1.43 0.64 -4.61 118.68 117.87 2bh1 s LEU 62 Ca 0.32 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2bh1 s LEU 62 Cb 0.18 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 46.14 2bh1 s LEU 62 CO 0.19 -0.34 0.19 -0.63 0.23 0.00 0.00 176.35 175.99 2bh1 s ILE 63 N -2.88 5.35 -0.18 -0.59 1.01 0.45 -4.96 121.20 119.41 2bh1 s ILE 63 Ca 0.08 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.98 2bh1 s ILE 63 Cb 0.00 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 39.00 2bh1 s ILE 63 CO -0.02 0.37 0.01 -0.76 0.00 0.00 0.00 174.94 174.55 2bh1 s LEU 64 N 0.79 1.31 0.28 2.97 1.43 -1.26 -0.91 118.68 123.28 2bh1 s LEU 64 Ca 0.10 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 2bh1 s LEU 64 Cb -0.13 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.42 2bh1 s LEU 64 CO 0.03 -0.27 0.58 0.28 0.23 0.00 0.00 176.35 177.20 2bh1 s THR 65 N 1.80 0.00 0.23 5.49 -1.32 -1.09 -4.89 115.64 115.86 2bh1 s THR 65 Ca -0.00 -1.25 0.08 0.00 -1.21 0.00 0.00 61.69 59.30 2bh1 s THR 65 Cb -0.16 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 2bh1 s THR 65 CO -0.07 0.00 0.07 -0.44 -2.21 0.00 0.00 174.62 171.96 2bh1 s SER 66 N -3.00 4.96 -0.01 8.08 0.01 -1.26 -1.62 113.70 120.85 2bh1 s SER 66 Ca 0.19 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2bh1 s SER 66 Cb -0.03 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.12 2bh1 s SER 66 CO 0.09 0.01 0.01 0.68 0.41 0.00 0.00 173.24 174.45 2bh1 s VAL 67 N -2.09 -0.01 0.17 3.43 -7.23 -0.34 -4.97 120.40 109.36 2bh1 s VAL 67 Ca 0.31 0.11 -0.32 0.00 -1.81 0.00 0.00 61.98 60.27 2bh1 s VAL 67 Cb -0.08 -0.07 -0.10 0.00 0.56 0.00 0.00 36.38 36.69 2bh1 s VAL 67 CO 0.21 0.06 1.58 -0.70 -0.31 0.00 0.00 175.10 175.94 2bh1 s GLU 68 N 0.61 4.21 -0.16 4.82 2.12 -1.26 -1.40 118.70 127.64 2bh1 s GLU 68 Ca -0.05 2.38 -0.26 0.00 0.36 0.00 0.00 54.97 57.40 2bh1 s GLU 68 Cb -0.08 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 2bh1 s GLU 68 CO -0.02 -0.61 0.84 0.42 -0.54 0.00 0.00 175.26 175.35 2bh1 s ILE 69 N 1.10 4.87 0.20 -3.70 1.01 -0.46 -4.94 121.20 119.29 2bh1 s ILE 69 Ca 0.70 1.66 -0.31 0.00 0.00 0.00 0.00 60.65 62.70 2bh1 s ILE 69 Cb -0.44 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 37.77 2bh1 s ILE 69 CO 0.32 0.03 1.61 -2.84 0.00 0.00 0.00 174.94 174.05 2bh1 s PRO 70 N 2.12 4.18 -0.09 2.79 0.02 -1.26 -4.88 135.00 137.88 2bh1 s PRO 70 Ca 0.39 2.45 -0.39 0.00 0.02 0.00 0.00 61.00 63.47 2bh1 s PRO 70 Cb -0.17 -3.11 -0.17 0.00 0.02 0.00 0.00 34.50 31.07 2bh1 s PRO 70 CO 0.13 -0.64 1.43 -2.30 -0.33 0.00 0.00 177.00 175.29 2bh1 n PRO 71 N 3.66 0.83 -2.37 5.54 -0.02 -1.26 -1.95 135.00 139.43 2bh1 n PRO 71 Ca 0.13 0.30 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2bh1 n PRO 71 Cb 0.37 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.95 0.23 2.69 -1.23 0.00 -1.26 -4.94 105.19 103.64 2bh1 n GLY 72 Ca 0.22 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 1.72 0.03 4.61 0.00 -0.82 -4.96 120.51 119.10 2bh1 n ALA 73 Ca -0.05 -1.31 -0.22 0.00 0.00 0.00 0.00 53.44 51.86 2bh1 n ALA 73 Cb 0.55 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 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 1.81 0.50 -0.85 0.00 0.87 -1.93 -3.31 113.55 110.64 2bh1 h SER 74 Ca -0.31 -0.94 0.12 0.00 -1.23 0.00 0.00 61.79 59.43 2bh1 h SER 74 Cb 1.30 -0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 62.96 2bh1 h SER 74 CO -0.07 1.82 -0.43 0.03 -0.53 0.00 0.00 176.83 177.65 2bh1 h ARG 75 N 0.09 -0.07 -0.71 2.24 3.08 -1.97 -1.92 114.38 115.12 2bh1 h ARG 75 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2bh1 h ARG 75 Cb 2.06 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.13 2bh1 h ARG 75 CO 0.13 -0.05 0.00 1.04 -1.07 0.00 0.00 179.97 180.02 2bh1 n GLN 76 N -5.42 3.13 -0.34 0.04 1.13 -1.26 -4.49 117.38 110.18 2bh1 n GLN 76 Ca 0.06 -1.83 0.16 0.00 -1.94 0.00 0.00 57.00 53.46 2bh1 n GLN 76 Cb 0.36 -1.87 0.39 0.00 0.11 0.00 0.00 30.24 29.23 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 2.40 0.67 -0.24 1.08 7.12 -1.43 -2.25 115.31 122.65 2bh1 h LEU 77 Ca 0.00 0.10 -0.05 0.00 0.13 0.00 0.00 57.88 58.06 2bh1 h LEU 77 Cb 1.26 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.38 2bh1 h LEU 77 CO 0.25 0.19 -0.06 -0.33 -0.13 0.00 0.00 178.44 178.36 2bh1 h GLU 78 N 0.62 0.46 0.00 1.25 5.08 -1.84 -2.15 114.58 118.01 2bh1 h GLU 78 Ca 0.59 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 2bh1 h GLU 78 Cb 1.12 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2bh1 h GLU 78 CO -0.38 0.69 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.33 2bh1 h ASN 79 N 0.20 0.00 1.12 1.42 2.35 -1.78 -3.11 115.58 115.78 2bh1 h ASN 79 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2bh1 h ASN 79 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2bh1 h ASN 79 CO 0.02 0.08 -0.83 0.24 -1.65 0.00 0.00 177.43 175.30 2bh1 h MET 80 N 0.00 0.00 -0.34 0.81 2.86 -1.05 -3.42 114.93 113.79 2bh1 h MET 80 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2bh1 h MET 80 Cb 0.24 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 2bh1 h MET 80 CO 0.01 0.00 -0.14 -0.07 1.06 0.00 0.00 176.91 177.77 2bh1 h LEU 81 N 0.00 -0.50 -0.64 1.22 3.38 -1.32 -1.18 115.31 116.26 2bh1 h LEU 81 Ca 0.00 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.22 2bh1 h LEU 81 Cb 0.97 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 2bh1 h LEU 81 CO 0.00 -0.18 0.18 -0.65 0.09 0.00 0.00 178.44 177.88 2bh1 h PRO 82 N -0.08 0.31 -0.56 1.13 0.11 -1.82 -0.15 132.00 130.95 2bh1 h PRO 82 Ca 0.17 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 2bh1 h PRO 82 Cb 0.34 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 2bh1 h PRO 82 CO -0.40 0.20 0.13 1.88 -0.21 0.00 0.00 178.00 179.60 2bh1 h TYR 83 N 0.32 0.89 -0.24 0.65 0.99 -1.54 -2.05 116.97 115.98 2bh1 h TYR 83 Ca 0.34 -0.09 -0.11 0.00 2.00 0.00 0.00 58.73 60.88 2bh1 h TYR 83 Cb 0.51 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.98 2bh1 h TYR 83 CO -0.22 0.74 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.33 2bh1 h LEU 84 N 0.82 0.66 -1.78 3.88 3.38 -0.61 -3.32 115.31 118.35 2bh1 h LEU 84 Ca 0.18 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2bh1 h LEU 84 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bh1 h LEU 84 CO -0.00 1.02 0.00 0.18 0.09 0.00 0.00 178.44 179.73 2bh1 n LEU 85 N -4.32 2.61 -0.18 1.67 4.77 -0.14 -4.58 117.00 116.85 2bh1 n LEU 85 Ca -0.05 -1.25 -0.02 0.00 -0.03 0.00 0.00 56.01 54.67 2bh1 n LEU 85 Cb 0.46 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2bh1 n LEU 85 CO 0.44 0.62 0.95 -0.08 -1.33 0.00 0.00 177.39 177.99 2bh1 h GLU 86 N 3.03 0.32 -0.02 3.23 4.81 -1.48 -0.95 114.58 123.52 2bh1 h GLU 86 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2bh1 h GLU 86 Cb 0.68 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2bh1 h GLU 86 CO 0.00 0.21 -0.04 -0.25 -0.73 0.00 0.00 179.01 178.19 2bh1 n ASP 87 N -5.05 1.61 0.08 1.04 10.43 -1.26 -3.95 116.55 119.45 2bh1 n ASP 87 Ca 0.07 -1.47 0.12 0.00 2.57 0.00 0.00 54.79 56.07 2bh1 n ASP 87 Cb 0.25 0.03 0.14 0.00 1.84 0.00 0.00 41.12 43.37 2bh1 n ASP 87 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2bh1 h GLU 88 N 2.46 0.00 -6.18 -1.24 5.08 -1.46 -3.47 114.58 109.77 2bh1 h GLU 88 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2bh1 h GLU 88 Cb 0.56 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.66 2bh1 h GLU 88 CO 0.00 0.00 -0.77 0.96 -1.00 0.00 0.00 179.01 178.20 2bh1 s ILE 89 N -3.21 2.33 -0.36 3.13 -4.36 -1.14 -5.06 121.20 112.53 2bh1 s ILE 89 Ca 0.05 -2.30 0.10 0.00 -0.26 0.00 0.00 60.65 58.23 2bh1 s ILE 89 Cb 0.12 -2.22 0.68 0.00 1.25 0.00 0.00 42.46 42.29 2bh1 s ILE 89 CO 0.73 -0.38 1.64 0.00 0.24 0.00 0.00 174.94 177.18 2bh1 n ALA 90 N -0.40 4.12 -2.42 2.27 0.00 -1.26 -4.90 120.51 117.91 2bh1 n ALA 90 Ca -0.07 -1.89 -0.14 0.00 0.00 0.00 0.00 53.44 51.33 2bh1 n ALA 90 Cb 0.59 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 2bh1 n ALA 90 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2bh1 s GLN 91 N -2.62 1.51 0.01 0.00 -2.07 -1.26 -5.11 119.66 110.12 2bh1 s GLN 91 Ca 0.48 -1.74 -0.31 0.00 -1.82 0.00 0.00 55.36 51.97 2bh1 s GLN 91 Cb 0.38 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.53 2bh1 s GLN 91 CO 0.13 -0.55 1.93 -0.25 -1.32 0.00 0.00 175.29 175.22 2bh1 n ASP 92 N -0.85 3.94 0.31 12.60 8.00 -1.26 -4.88 116.55 134.41 2bh1 n ASP 92 Ca 0.03 0.93 0.19 0.00 0.71 0.00 0.00 54.79 56.66 2bh1 n ASP 92 Cb 0.64 -1.48 1.06 0.00 -0.02 0.00 0.00 41.12 41.32 2bh1 n ASP 92 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2bh1 h VAL 93 N 5.46 0.21 -0.21 2.53 -1.51 -1.92 -1.04 116.25 119.77 2bh1 h VAL 93 Ca -0.49 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 2bh1 h VAL 93 Cb 1.25 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2bh1 h VAL 93 CO 0.94 0.00 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.92 2bh1 h GLU 94 N 0.00 0.32 0.00 5.19 3.07 -1.96 -2.33 114.58 118.87 2bh1 h GLU 94 Ca 0.01 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2bh1 h GLU 94 Cb 0.11 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2bh1 h GLU 94 CO -0.00 0.37 0.00 -0.25 -1.40 0.00 0.00 179.01 177.73 2bh1 n ASP 95 N -4.33 0.08 -4.82 1.42 8.00 -0.39 -4.83 116.55 111.67 2bh1 n ASP 95 Ca 0.00 0.51 -0.34 0.00 0.71 0.00 0.00 54.79 55.67 2bh1 n ASP 95 Cb 0.21 -0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 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 -3.02 4.97 -0.35 2.53 1.01 -0.88 -0.06 120.40 124.60 2bh1 s VAL 96 Ca 0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2bh1 s VAL 96 Cb 0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.29 2bh1 s VAL 96 CO 0.42 0.40 0.17 -2.28 0.00 0.00 0.00 175.10 173.81 2bh1 s HIS 97 N -1.18 3.23 0.01 5.22 2.46 0.94 -4.81 115.29 121.16 2bh1 s HIS 97 Ca 0.22 -1.02 -0.02 0.00 0.47 0.00 0.00 55.06 54.72 2bh1 s HIS 97 Cb -0.12 -2.38 -0.04 0.00 -0.13 0.00 0.00 32.58 29.91 2bh1 s HIS 97 CO 0.13 -0.64 0.17 -0.06 -2.47 0.00 0.00 174.74 171.87 2bh1 s PHE 98 N 1.52 3.49 0.07 3.88 0.40 -1.26 -1.64 117.98 124.44 2bh1 s PHE 98 Ca 0.02 0.30 -0.20 0.00 -0.60 0.00 0.00 56.93 56.45 2bh1 s PHE 98 Cb -0.19 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.59 2bh1 s PHE 98 CO 0.05 0.62 0.47 0.00 0.70 0.00 0.00 175.22 177.06 2bh1 s VAL 100 N -2.79 5.04 -0.19 0.00 1.01 -1.26 -0.59 120.40 121.61 2bh1 s VAL 100 Ca -0.03 1.45 -0.16 0.00 0.00 0.00 0.00 61.98 63.23 2bh1 s VAL 100 Cb -0.00 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.13 2bh1 s VAL 100 CO -0.05 0.23 0.21 0.18 0.00 0.00 0.00 175.10 175.68 2bh1 n LEU 101 N 3.90 2.11 -3.85 3.92 4.77 0.13 -4.93 117.00 123.04 2bh1 n LEU 101 Ca -0.01 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 2bh1 n LEU 101 Cb 0.51 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 2bh1 n LEU 101 CO 0.47 0.48 -0.12 -0.94 -1.33 0.00 0.00 177.39 175.95 2bh1 s SER 102 N -6.95 0.02 -0.06 -1.43 1.04 -1.11 -5.01 113.70 100.20 2bh1 s SER 102 Ca -0.28 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 55.87 2bh1 s SER 102 Cb 0.07 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.47 2bh1 s SER 102 CO 0.64 -0.48 -0.01 -0.75 0.98 0.00 0.00 173.24 173.62 2bh1 s LYS 103 N -2.02 0.61 0.00 4.02 2.20 -1.26 -0.80 119.74 122.49 2bh1 s LYS 103 Ca -0.09 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 2bh1 s LYS 103 Cb -0.04 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.45 2bh1 s LYS 103 CO -0.01 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 2bh1 n GLY 104 N 4.64 1.91 0.02 5.54 0.00 0.99 -4.99 105.19 113.29 2bh1 n GLY 104 Ca -0.16 -2.00 0.11 0.00 0.00 0.00 0.00 46.02 43.98 2bh1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bh1 n ARG 105 N 0.00 0.62 -0.04 1.61 1.74 -1.26 -4.51 116.66 114.82 2bh1 n ARG 105 Ca 0.00 -0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 56.87 2bh1 n ARG 105 Cb 0.00 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2bh1 n ARG 105 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bh1 n GLU 106 N -2.25 2.46 -4.11 5.56 1.02 -1.26 -4.90 120.64 117.16 2bh1 n GLU 106 Ca -0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 2bh1 n GLU 106 Cb 0.56 -1.20 -0.09 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.19 0.05 -0.02 2.62 -4.23 -1.26 -1.35 115.64 109.26 2bh1 s THR 107 Ca -0.05 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 58.61 2bh1 s THR 107 Cb 0.02 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2bh1 s THR 107 CO 0.31 -0.25 0.15 0.00 -0.54 0.00 0.00 174.62 174.29 2bh1 s ALA 108 N -4.06 -0.36 -0.05 3.99 0.00 -0.49 -0.01 121.76 120.77 2bh1 s ALA 108 Ca 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 2bh1 s ALA 108 Cb 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2bh1 s ALA 108 CO 0.05 -0.17 0.06 -0.51 0.00 0.00 0.00 175.76 175.19 2bh1 s ASP 109 N -0.96 5.61 -0.02 0.00 1.01 0.02 -1.20 116.67 121.13 2bh1 s ASP 109 Ca -0.10 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.31 2bh1 s ASP 109 Cb -0.06 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.24 2bh1 s ASP 109 CO 0.01 0.34 0.09 -0.69 0.21 0.00 0.00 175.17 175.12 2bh1 s VAL 110 N -1.05 0.04 0.01 -1.27 1.01 -0.64 -0.70 120.40 117.81 2bh1 s VAL 110 Ca 0.18 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2bh1 s VAL 110 Cb -0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2bh1 s VAL 110 CO 0.08 -0.19 -0.09 -0.69 0.00 0.00 0.00 175.10 174.22 2bh1 s VAL 111 N -0.59 3.50 -0.01 2.92 1.01 0.24 -2.67 120.40 124.81 2bh1 s VAL 111 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2bh1 s VAL 111 Cb -0.04 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2bh1 s VAL 111 CO 0.00 0.39 -0.07 -0.83 0.00 0.00 0.00 175.10 174.59 2bh1 s GLY 112 N -1.41 0.36 0.01 4.51 0.00 -0.09 -0.85 107.32 109.85 2bh1 s GLY 112 Ca 0.17 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.63 2bh1 s GLY 112 CO 0.07 -0.15 -0.02 0.54 0.00 0.00 0.00 173.10 173.54 2bh1 s VAL 113 N -0.01 0.15 0.16 1.40 0.11 -0.65 -0.41 120.40 121.15 2bh1 s VAL 113 Ca 0.01 -0.34 -0.34 0.00 -2.93 0.00 0.00 61.98 58.37 2bh1 s VAL 113 Cb -0.04 -0.19 -0.14 0.00 -1.53 0.00 0.00 36.38 34.48 2bh1 s VAL 113 CO -0.00 -0.12 1.54 -0.67 -3.33 0.00 0.00 175.10 172.51 2bh1 n ASP 114 N 2.58 2.92 0.28 3.54 2.03 -1.26 -0.04 116.55 126.59 2bh1 n ASP 114 Ca -0.16 1.09 -0.16 0.00 0.52 0.00 0.00 54.79 56.08 2bh1 n ASP 114 Cb 0.58 -1.40 -0.08 0.00 -0.72 0.00 0.00 41.12 39.49 2bh1 n ASP 114 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2bh1 h ARG 115 N 5.62 -0.63 -0.54 -0.67 3.08 -0.79 -2.71 114.38 117.74 2bh1 h ARG 115 Ca -0.45 0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.65 2bh1 h ARG 115 Cb 1.26 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 2bh1 h ARG 115 CO 0.86 -0.41 0.36 1.25 -1.07 0.00 0.00 179.97 180.96 2bh1 h LEU 116 N -0.66 0.62 -0.07 3.04 5.85 -1.91 -1.37 115.31 120.81 2bh1 h LEU 116 Ca -0.07 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 2bh1 h LEU 116 Cb 0.50 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.39 2bh1 h LEU 116 CO 0.11 0.45 -0.57 -0.25 -0.34 0.00 0.00 178.44 177.83 2bh1 h TRP 117 N 0.73 0.71 -0.87 1.25 7.01 -1.93 -2.29 115.95 120.56 2bh1 h TRP 117 Ca 0.20 -0.34 0.02 0.00 2.11 0.00 0.00 58.89 60.88 2bh1 h TRP 117 Cb -0.08 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 26.83 2bh1 h TRP 117 CO -0.00 1.13 0.57 1.25 -2.79 0.00 0.00 178.44 178.61 2bh1 h LEU 118 N 0.09 0.97 -0.93 0.65 5.85 -1.20 -1.23 115.31 119.52 2bh1 h LEU 118 Ca -0.05 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.80 2bh1 h LEU 118 Cb 1.24 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2bh1 h LEU 118 CO 0.12 0.69 0.54 0.03 -0.34 0.00 0.00 178.44 179.48 2bh1 h ARG 119 N 1.14 0.77 -0.24 1.25 3.08 -1.20 -1.95 114.38 117.24 2bh1 h ARG 119 Ca 0.33 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2bh1 h ARG 119 Cb -0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2bh1 h ARG 119 CO -0.09 0.51 0.02 0.00 -1.07 0.00 0.00 179.97 179.34 2bh1 h ALA 120 N 1.56 0.32 0.27 0.04 0.00 -0.68 -1.41 119.26 119.35 2bh1 h ALA 120 Ca 0.50 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2bh1 h ALA 120 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2bh1 h ALA 120 CO -0.33 0.01 -0.36 0.00 0.00 0.00 0.00 179.25 178.58 2bh1 h LEU 122 N -0.68 0.62 -0.92 0.00 3.38 -1.34 0.61 115.31 116.97 2bh1 h LEU 122 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2bh1 h LEU 122 Cb 0.65 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2bh1 h LEU 122 CO -0.12 0.44 0.50 0.44 0.09 0.00 0.00 178.44 179.79 2bh1 h ASP 123 N 0.74 1.13 -0.40 -0.43 5.19 -1.21 -0.34 116.42 121.10 2bh1 h ASP 123 Ca 0.22 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 2bh1 h ASP 123 Cb -0.04 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.17 2bh1 h ASP 123 CO -0.07 0.90 -0.02 -0.74 -3.12 0.00 0.00 179.24 176.19 2bh1 h HIS 124 N 1.27 0.80 -0.60 4.55 2.76 -0.66 -1.21 115.15 122.07 2bh1 h HIS 124 Ca 0.32 -0.15 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 2bh1 h HIS 124 Cb 0.02 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 2bh1 h HIS 124 CO 0.01 0.82 0.13 -0.07 -1.30 0.00 0.00 177.93 177.52 2bh1 h LEU 125 N 0.56 0.88 -0.38 0.26 3.38 -0.60 -2.21 115.31 117.20 2bh1 h LEU 125 Ca 0.11 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2bh1 h LEU 125 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2bh1 h LEU 125 CO 0.03 0.87 -0.33 0.50 0.09 0.00 0.00 178.44 179.60 2bh1 h LYS 126 N 0.90 0.89 0.00 1.13 3.64 -0.97 0.15 116.57 122.31 2bh1 h LYS 126 Ca 0.19 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2bh1 h LYS 126 Cb 0.34 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2bh1 h LYS 126 CO 0.00 1.10 -0.03 0.00 -2.27 0.00 0.00 179.45 178.25 2bh1 h ALA 127 N 0.77 1.18 -0.11 5.00 0.00 -0.90 0.16 119.26 125.36 2bh1 h ALA 127 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bh1 h ALA 127 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bh1 h ALA 127 CO 0.08 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2bh1 n GLY 129 N 1.22 0.27 3.77 0.00 0.00 0.56 -4.70 105.19 106.31 2bh1 n GLY 129 Ca 0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.15 3.49 -0.82 1.61 0.40 0.52 -4.86 117.98 115.19 2bh1 s PHE 130 Ca 0.26 0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 56.99 2bh1 s PHE 130 Cb -0.11 -2.19 0.21 0.00 0.51 0.00 0.00 43.02 41.44 2bh1 s PHE 130 CO 0.33 0.40 0.74 0.34 0.70 0.00 0.00 175.22 177.73 2bh1 s ASP 131 N -0.01 6.53 -0.29 1.36 -1.08 -1.26 -4.27 116.67 117.64 2bh1 s ASP 131 Ca 0.14 -2.81 -0.29 0.00 -0.52 0.00 0.00 52.55 49.07 2bh1 s ASP 131 Cb -0.12 -2.14 -0.00 0.00 -1.46 0.00 0.00 42.92 39.19 2bh1 s ASP 131 CO 0.02 -0.51 1.37 -0.69 0.52 0.00 0.00 175.17 175.89 2bh1 s VAL 132 N -0.01 4.03 -0.16 1.11 1.01 -1.26 -3.15 120.40 121.96 2bh1 s VAL 132 Ca 0.19 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 63.16 2bh1 s VAL 132 Cb -0.12 -4.07 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 2bh1 s VAL 132 CO -0.08 -0.46 0.33 0.11 0.00 0.00 0.00 175.10 175.00 2bh1 h LYS 133 N 9.69 0.12 -5.00 2.72 6.56 -1.52 -3.48 116.57 125.66 2bh1 h LYS 133 Ca -0.28 -0.20 -0.34 0.00 -1.06 0.00 0.00 60.65 58.77 2bh1 h LYS 133 Cb 1.11 0.08 -0.20 0.00 -0.57 0.00 0.00 32.23 32.64 2bh1 h LYS 133 CO 1.03 1.10 -0.75 1.03 -2.06 0.00 0.00 179.45 179.80 2bh1 s ARG 134 N -2.44 0.74 -0.08 3.15 0.52 -1.12 -4.97 118.95 114.75 2bh1 s ARG 134 Ca -0.25 -0.95 -0.00 0.00 -0.52 0.00 0.00 55.73 54.00 2bh1 s ARG 134 Cb 0.06 -0.58 0.02 0.00 0.52 0.00 0.00 34.95 34.97 2bh1 s ARG 134 CO 0.68 0.11 -0.06 0.08 0.02 0.00 0.00 175.30 176.13 2bh1 s VAL 135 N -1.65 0.79 0.08 3.52 1.01 -1.26 -0.63 120.40 122.27 2bh1 s VAL 135 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2bh1 s VAL 135 Cb -0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2bh1 s VAL 135 CO 0.01 0.31 0.05 -1.48 0.00 0.00 0.00 175.10 174.00 2bh1 s LEU 136 N 1.48 2.04 0.44 3.92 2.34 -0.46 -0.35 118.68 128.09 2bh1 s LEU 136 Ca -0.01 -0.94 -0.25 0.00 0.06 0.00 0.00 54.13 53.00 2bh1 s LEU 136 Cb -0.13 0.48 -0.08 0.00 -0.56 0.00 0.00 46.19 45.89 2bh1 s LEU 136 CO -0.04 -0.67 1.32 -2.84 -1.06 0.00 0.00 176.35 173.06 2bh1 s PRO 137 N -3.93 3.79 0.33 1.48 0.02 -1.26 -1.18 135.00 134.24 2bh1 s PRO 137 Ca 0.09 2.18 0.06 0.00 0.02 0.00 0.00 61.00 63.35 2bh1 s PRO 137 Cb 0.07 -2.64 0.57 0.00 0.02 0.00 0.00 34.50 32.52 2bh1 s PRO 137 CO -0.08 -0.65 1.81 0.38 -0.33 0.00 0.00 177.00 178.13 2bh1 h ASP 138 N 2.39 0.36 0.45 2.53 2.03 -1.05 -2.74 116.42 120.39 2bh1 h ASP 138 Ca -0.50 -0.10 -0.02 0.00 -0.73 0.00 0.00 57.03 55.68 2bh1 h ASP 138 Cb 1.26 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2bh1 h ASP 138 CO 0.61 0.57 -0.10 -0.37 -1.03 0.00 0.00 179.24 178.93 2bh1 h VAL 139 N 0.34 0.42 -0.30 4.15 -1.51 -1.91 -2.69 116.25 114.75 2bh1 h VAL 139 Ca 0.06 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2bh1 h VAL 139 Cb 0.53 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2bh1 h VAL 139 CO 0.04 0.09 0.00 0.18 -1.23 0.00 0.00 177.57 176.65 2bh1 n LEU 140 N -3.48 2.47 -1.10 4.19 4.77 -1.03 -3.09 117.00 119.74 2bh1 n LEU 140 Ca -0.01 -1.08 0.10 0.00 -0.03 0.00 0.00 56.01 54.98 2bh1 n LEU 140 Cb 0.24 -0.19 0.25 0.00 -2.33 0.00 0.00 43.42 41.39 2bh1 n LEU 140 CO 0.29 0.54 0.71 0.00 -1.33 0.00 0.00 177.39 177.60 2bh1 n ALA 141 N 0.85 2.32 -2.64 -1.18 0.00 -1.01 -4.83 120.51 114.03 2bh1 n ALA 141 Ca 0.17 -1.20 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 2bh1 n ALA 141 Cb 0.44 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.06 4.79 -0.03 0.00 1.01 -1.18 -4.10 121.20 120.63 2bh1 s ILE 142 Ca 0.39 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 2bh1 s ILE 142 Cb 0.21 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2bh1 s ILE 142 CO 0.27 -0.15 1.85 -2.16 0.00 0.00 0.00 174.94 174.75 2bh1 s PRO 143 N 2.97 4.06 0.08 2.79 0.04 -1.26 -4.96 135.00 138.72 2bh1 s PRO 143 Ca 0.36 2.35 0.08 0.00 0.04 0.00 0.00 61.00 63.83 2bh1 s PRO 143 Cb -0.15 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 2bh1 s PRO 143 CO 0.09 -1.02 -0.18 0.50 0.04 0.00 0.00 177.00 176.43 2bh1 s ARG 144 N 4.45 1.93 0.66 4.56 3.52 -1.26 -4.89 118.95 127.93 2bh1 s ARG 144 Ca 0.83 -1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 2bh1 s ARG 144 Cb -0.37 -2.15 0.16 0.00 -1.56 0.00 0.00 34.95 31.03 2bh1 s ARG 144 CO 0.36 0.51 0.65 -2.30 -0.81 0.00 0.00 175.30 173.71 2bh1 n PRO 145 N 1.21 -1.89 -0.14 5.12 -0.02 -1.26 -4.98 135.00 133.04 2bh1 n PRO 145 Ca -0.16 -1.03 -0.13 0.00 -2.02 0.00 0.00 63.50 60.16 2bh1 n PRO 145 Cb 0.52 -0.89 -0.09 0.00 -0.02 0.00 0.00 33.50 33.03 2bh1 n PRO 145 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2bh1 h GLU 146 N 0.00 -0.37 -6.62 -0.52 5.08 -2.01 -3.44 114.58 106.70 2bh1 h GLU 146 Ca -0.23 0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.50 2bh1 h GLU 146 Cb 0.70 0.08 -0.20 0.00 0.50 0.00 0.00 28.75 29.84 2bh1 h GLU 146 CO 0.16 -0.25 -0.83 -1.58 -1.00 0.00 0.00 179.01 175.51 2bh1 s HIS 147 N -5.69 2.25 0.00 4.33 5.04 -1.26 -5.10 115.29 114.86 2bh1 s HIS 147 Ca -0.14 -0.37 0.00 0.00 -1.54 0.00 0.00 55.06 53.00 2bh1 s HIS 147 Cb 0.09 -1.14 0.00 0.00 0.04 0.00 0.00 32.58 31.57 2bh1 s HIS 147 CO 0.62 0.44 0.00 0.41 -2.34 0.00 0.00 174.74 173.87 2bh1 n GLY 148 N 0.46 -1.58 3.93 1.59 0.00 -1.26 -4.93 105.19 103.39 2bh1 n GLY 148 Ca -0.14 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 4.03 0.00 0.99 1.43 -0.53 -4.71 118.68 119.89 2bh1 s LEU 149 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2bh1 s LEU 149 Cb 0.00 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 2bh1 s LEU 149 CO 0.00 -0.20 -0.01 0.00 0.23 0.00 0.00 176.35 176.37 2bh1 s ALA 150 N -2.11 0.05 0.06 4.21 0.00 -0.56 -1.77 121.76 121.65 2bh1 s ALA 150 Ca 0.38 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2bh1 s ALA 150 Cb -0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2bh1 s ALA 150 CO 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 175.76 175.99 2bh1 s ALA 151 N -0.09 0.64 0.07 0.00 0.00 -0.22 -0.43 121.76 121.72 2bh1 s ALA 151 Ca -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 2bh1 s ALA 151 Cb -0.01 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2bh1 s ALA 151 CO -0.00 -0.17 0.27 -0.48 0.00 0.00 0.00 175.76 175.39 2bh1 s LEU 152 N -2.27 1.02 0.07 0.00 0.05 -0.73 -0.39 118.68 116.43 2bh1 s LEU 152 Ca -0.01 -0.36 -0.10 0.00 0.05 0.00 0.00 54.13 53.72 2bh1 s LEU 152 Cb -0.02 1.29 -0.06 0.00 -2.05 0.00 0.00 46.19 45.36 2bh1 s LEU 152 CO -0.03 -0.68 0.40 -1.58 -0.55 0.00 0.00 176.35 173.91 2bh1 s GLN 153 N -3.10 3.76 -0.20 1.48 0.74 -1.26 -0.79 119.66 120.29 2bh1 s GLN 153 Ca -0.01 0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.53 2bh1 s GLN 153 Cb 0.01 -3.00 0.09 0.00 1.10 0.00 0.00 33.01 31.21 2bh1 s GLN 153 CO -0.07 0.57 0.21 -1.17 -0.55 0.00 0.00 175.29 174.27 2bh1 s LEU 154 N -1.89 -0.05 0.00 3.68 2.96 -0.64 -4.98 118.68 117.77 2bh1 s LEU 154 Ca 0.33 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2bh1 s LEU 154 Cb -0.14 0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.86 2bh1 s LEU 154 CO 0.18 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 2bh1 n GLY 155 N 5.31 2.85 2.15 7.98 0.00 -1.26 -2.49 105.19 119.73 2bh1 n GLY 155 Ca -0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 2bh1 n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bh1 n ASP 156 N 3.96 3.90 -4.39 1.61 8.00 -1.26 -4.93 116.55 123.44 2bh1 n ASP 156 Ca 0.00 -3.55 -0.29 0.00 0.71 0.00 0.00 54.79 51.67 2bh1 n ASP 156 Cb 0.00 -0.82 -0.13 0.00 -0.02 0.00 0.00 41.12 40.16 2bh1 n ASP 156 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bh1 s GLU 157 N -3.24 1.41 -0.18 -1.24 2.02 -1.04 -1.02 118.70 115.40 2bh1 s GLU 157 Ca 0.56 -1.37 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 2bh1 s GLU 157 Cb 0.47 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 2bh1 s GLU 157 CO 0.11 0.44 0.07 -1.58 0.02 0.00 0.00 175.26 174.32 2bh1 s TRP 158 N -1.12 3.27 -0.19 1.61 0.52 0.11 -1.62 118.94 121.52 2bh1 s TRP 158 Ca 0.15 0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 2bh1 s TRP 158 Cb -0.10 -2.08 -0.02 0.00 -1.15 0.00 0.00 33.47 30.12 2bh1 s TRP 158 CO 0.06 0.17 -0.04 -0.51 0.02 0.00 0.00 176.95 176.66 2bh1 s LEU 159 N 0.35 3.04 -0.05 2.99 1.43 0.03 -1.25 118.68 125.23 2bh1 s LEU 159 Ca 0.03 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2bh1 s LEU 159 Cb -0.12 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2bh1 s LEU 159 CO -0.00 0.06 -0.12 -0.69 0.23 0.00 0.00 176.35 175.83 2bh1 s VAL 160 N 1.00 1.05 -0.05 -1.59 1.01 0.29 -1.77 120.40 120.34 2bh1 s VAL 160 Ca 0.01 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2bh1 s VAL 160 Cb -0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2bh1 s VAL 160 CO 0.01 0.33 -0.23 -0.60 0.00 0.00 0.00 175.10 174.61 2bh1 s ARG 161 N 0.52 2.50 -0.10 2.72 3.52 0.42 0.12 118.95 128.65 2bh1 s ARG 161 Ca -0.11 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.65 2bh1 s ARG 161 Cb -0.14 -2.20 -0.08 0.00 -1.56 0.00 0.00 34.95 30.97 2bh1 s ARG 161 CO 0.03 0.45 -0.06 1.17 -0.81 0.00 0.00 175.30 176.07 2bh1 n LYS 162 N 2.77 0.93 -2.17 5.12 4.81 -0.10 -1.50 118.16 128.02 2bh1 n LYS 162 Ca -0.17 0.04 -0.04 0.00 -0.87 0.00 0.00 58.31 57.27 2bh1 n LYS 162 Cb 0.52 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 -2.68 -0.65 -0.28 3.14 3.41 -1.07 -4.70 113.62 110.79 2bh1 n SER 163 Ca -0.18 -1.60 0.14 0.00 -0.26 0.00 0.00 58.87 56.97 2bh1 n SER 163 Cb 0.73 1.13 0.41 0.00 -0.26 0.00 0.00 64.21 66.21 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 1.35 0.75 0.00 6.66 2.02 -1.98 -3.07 112.91 118.64 2bh1 h THR 164 Ca -0.11 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2bh1 h THR 164 Cb 0.42 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2bh1 h THR 164 CO 0.14 0.11 -0.01 0.35 0.37 0.00 0.00 175.52 176.48 2bh1 n THR 165 N -4.59 0.88 -5.03 3.16 -2.24 -1.26 -4.92 114.28 100.27 2bh1 n THR 165 Ca 0.19 -0.91 -0.28 0.00 -2.27 0.00 0.00 64.05 60.78 2bh1 n THR 165 Cb 0.57 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.96 2.03 0.03 -0.78 -0.21 -1.16 -4.74 119.66 113.86 2bh1 s GLN 166 Ca 0.03 -0.74 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 2bh1 s GLN 166 Cb 0.02 -1.78 0.10 0.00 1.00 0.00 0.00 33.01 32.35 2bh1 s GLN 166 CO 0.00 0.34 1.23 0.20 -2.12 0.00 0.00 175.29 174.94 2bh1 s GLY 167 N -0.16 -0.18 -0.18 3.09 0.00 -1.26 -0.93 107.32 107.70 2bh1 s GLY 167 Ca -0.01 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 2bh1 s GLY 167 CO 0.02 3.02 0.47 -0.29 0.00 0.00 0.00 173.10 176.32 2bh1 s MET 168 N -2.24 0.54 -0.18 2.90 1.75 0.12 -4.85 119.30 117.35 2bh1 s MET 168 Ca 0.22 0.66 -0.06 0.00 -1.25 0.00 0.00 55.69 55.26 2bh1 s MET 168 Cb 0.01 0.25 -0.04 0.00 2.84 0.00 0.00 34.83 37.89 2bh1 s MET 168 CO -0.01 -0.07 0.03 0.00 -0.65 0.00 0.00 175.02 174.33 2bh1 s ALA 169 N 0.31 3.27 0.09 4.11 0.00 -1.26 -0.55 121.76 127.74 2bh1 s ALA 169 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2bh1 s ALA 169 Cb -0.04 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2bh1 s ALA 169 CO -0.00 0.13 -0.21 0.14 0.00 0.00 0.00 175.76 175.83 2bh1 s VAL 170 N 0.47 1.69 0.32 0.00 -7.23 -0.38 -4.50 120.40 110.77 2bh1 s VAL 170 Ca 0.01 -1.47 -0.28 0.00 -1.81 0.00 0.00 61.98 58.44 2bh1 s VAL 170 Cb -0.13 -1.53 -0.13 0.00 0.56 0.00 0.00 36.38 35.15 2bh1 s VAL 170 CO 0.01 -0.01 1.15 -0.67 -0.31 0.00 0.00 175.10 175.28 2bh1 n ASP 171 N 1.25 2.06 0.13 4.85 2.03 -1.26 0.04 116.55 125.64 2bh1 n ASP 171 Ca -0.19 1.19 0.17 0.00 0.52 0.00 0.00 54.79 56.48 2bh1 n ASP 171 Cb 0.53 -1.39 0.74 0.00 -0.72 0.00 0.00 41.12 40.28 2bh1 n ASP 171 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bh1 h ALA 172 N 2.25 2.11 0.00 -1.67 0.00 -1.38 0.17 119.26 120.75 2bh1 h ALA 172 Ca -0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2bh1 h ALA 172 Cb 1.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2bh1 h ALA 172 CO 0.61 -0.40 -0.24 1.96 0.00 0.00 0.00 179.25 181.19 2bh1 h GLN 173 N 0.00 0.00 -0.01 0.00 4.20 -1.89 -2.95 115.11 114.46 2bh1 h GLN 173 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2bh1 h GLN 173 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2bh1 h GLN 173 CO -0.00 0.24 0.00 0.91 -0.67 0.00 0.00 178.83 179.31 2bh1 n TRP 174 N -3.61 0.01 -0.14 2.96 7.02 0.61 -4.34 117.44 119.96 2bh1 n TRP 174 Ca -0.01 -0.01 -0.08 0.00 -1.02 0.00 0.00 57.50 56.38 2bh1 n TRP 174 Cb 0.38 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.26 2bh1 n TRP 174 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2bh1 h LEU 175 N 0.40 0.52 -0.94 -0.99 5.85 -1.59 0.28 115.31 118.84 2bh1 h LEU 175 Ca 0.00 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 2bh1 h LEU 175 Cb 0.09 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2bh1 h LEU 175 CO 0.00 0.46 -0.22 0.77 -0.34 0.00 0.00 178.44 179.12 2bh1 h SER 176 N 0.54 0.52 -0.44 1.25 4.64 -1.84 0.14 113.55 118.35 2bh1 h SER 176 Ca 0.15 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2bh1 h SER 176 Cb 0.06 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2bh1 h SER 176 CO -0.02 0.74 0.27 0.25 -0.87 0.00 0.00 176.83 177.19 2bh1 h LEU 177 N 0.46 0.52 -1.07 5.97 5.85 -1.64 -2.47 115.31 122.94 2bh1 h LEU 177 Ca 0.07 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2bh1 h LEU 177 Cb 0.63 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2bh1 h LEU 177 CO 0.05 0.42 0.06 0.25 -0.34 0.00 0.00 178.44 178.88 2bh1 h LEU 178 N 0.58 0.68 -0.83 2.25 5.85 -0.07 -2.84 115.31 120.94 2bh1 h LEU 178 Ca 0.16 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2bh1 h LEU 178 Cb -0.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2bh1 h LEU 178 CO -0.03 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 2bh1 h ALA 179 N 1.38 1.00 -0.02 1.25 0.00 -0.45 -2.62 119.26 119.80 2bh1 h ALA 179 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2bh1 h ALA 179 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bh1 h ALA 179 CO 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.97 2bh1 n ALA 180 N -1.96 3.11 -1.90 0.00 0.00 -0.96 -4.95 120.51 113.85 2bh1 n ALA 180 Ca 0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 2bh1 n ALA 180 Cb 0.33 -0.77 0.07 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.23 4.87 0.40 0.00 1.04 -0.99 -4.99 113.70 111.80 2bh1 s SER 181 Ca 0.21 0.87 0.24 0.00 0.48 0.00 0.00 55.95 57.75 2bh1 s SER 181 Cb 0.18 -1.48 0.45 0.00 0.10 0.00 0.00 66.02 65.27 2bh1 s SER 181 CO 0.45 -1.67 1.65 -0.78 0.98 0.00 0.00 173.24 173.87 2bh1 h ASP 182 N -0.86 0.00 0.03 7.02 3.58 -1.93 -3.25 116.42 121.01 2bh1 h ASP 182 Ca -0.46 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 2bh1 h ASP 182 Cb 1.30 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 2bh1 h ASP 182 CO 0.65 0.00 -0.01 -0.25 -2.88 0.00 0.00 179.24 176.75 2bh1 h TRP 183 N 0.00 0.00 -0.45 0.28 7.01 -1.94 -1.58 115.95 119.28 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 0.94 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.00 2bh1 h TRP 183 CO 0.00 0.01 0.00 0.28 -2.79 0.00 0.00 178.44 175.94 2bh1 n VAL 184 N -3.67 0.58 -4.35 2.65 0.31 -1.23 -4.89 118.33 107.74 2bh1 n VAL 184 Ca -0.03 -0.72 -0.25 0.00 -0.01 0.00 0.00 64.34 63.33 2bh1 n VAL 184 Cb 0.09 0.69 -0.09 0.00 -0.91 0.00 0.00 33.84 33.62 2bh1 n VAL 184 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2bh1 s GLN 185 N -1.42 1.99 -0.26 5.55 -0.21 -0.59 -2.11 119.66 122.62 2bh1 s GLN 185 Ca 0.39 -1.47 -0.01 0.00 0.02 0.00 0.00 55.36 54.29 2bh1 s GLN 185 Cb 0.22 -2.03 0.08 0.00 1.00 0.00 0.00 33.01 32.28 2bh1 s GLN 185 CO 0.30 0.38 0.05 1.21 -2.12 0.00 0.00 175.29 175.11 2bh1 s ASN 186 N -3.27 3.57 -1.25 5.90 3.84 -0.02 -4.88 114.94 118.83 2bh1 s ASN 186 Ca 0.28 -1.26 -0.03 0.00 0.21 0.00 0.00 52.86 52.07 2bh1 s ASN 186 Cb -0.07 -0.79 0.00 0.00 -0.55 0.00 0.00 41.25 39.84 2bh1 s ASN 186 CO 0.16 -0.35 1.05 -0.62 -2.79 0.00 0.00 177.10 174.56 2bh1 n GLU 187 N 4.91 -7.03 -1.01 0.43 1.02 -1.26 -2.89 120.64 114.82 2bh1 n GLU 187 Ca -0.06 0.84 -0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2bh1 n GLU 187 Cb 0.44 -5.87 -0.00 0.00 -0.02 0.00 0.00 31.44 25.99 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 -1.40 0.44 2.94 0.62 0.00 -1.26 -5.02 105.19 101.50 2bh1 n GLY 188 Ca -0.20 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.59 0.84 0.08 1.61 2.12 -1.14 -5.12 118.70 115.50 2bh1 s GLU 189 Ca 0.00 -0.19 -0.31 0.00 0.36 0.00 0.00 54.97 54.83 2bh1 s GLU 189 Cb 0.00 -0.81 -0.08 0.00 0.26 0.00 0.00 34.13 33.50 2bh1 s GLU 189 CO 0.00 0.02 1.53 0.71 -0.54 0.00 0.00 175.26 176.97 2bh1 s TYR 190 N 0.51 2.78 0.28 5.30 1.51 -1.26 -0.84 117.35 125.64 2bh1 s TYR 190 Ca -0.07 0.61 -0.29 0.00 -1.01 0.00 0.00 57.07 56.30 2bh1 s TYR 190 Cb -0.11 -3.83 -0.09 0.00 -0.11 0.00 0.00 41.96 37.81 2bh1 s TYR 190 CO 0.00 -3.17 1.05 -0.51 -1.11 0.00 0.00 175.55 171.81 2bh1 s LEU 191 N 2.06 4.54 1.08 -1.29 1.43 -0.90 -4.86 118.68 120.74 2bh1 s LEU 191 Ca 0.69 2.16 -0.16 0.00 -1.03 0.00 0.00 54.13 55.79 2bh1 s LEU 191 Cb -0.38 -3.67 0.23 0.00 0.03 0.00 0.00 46.19 42.40 2bh1 s LEU 191 CO 0.30 -0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.77 2bh1 s PRO 192 N -1.47 -0.23 -0.15 1.29 0.04 -1.26 -4.49 135.00 128.72 2bh1 s PRO 192 Ca 0.45 0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.47 2bh1 s PRO 192 Cb -0.29 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.60 2bh1 s PRO 192 CO 0.37 -3.08 0.38 -1.17 0.04 0.00 0.00 177.00 173.54 2bh1 s LEU 193 N -6.55 0.07 -0.37 -3.56 0.20 -0.40 -1.45 118.68 106.62 2bh1 s LEU 193 Ca 0.69 0.81 -0.11 0.00 0.69 0.00 0.00 54.13 56.20 2bh1 s LEU 193 Cb -0.12 1.22 0.02 0.00 -0.43 0.00 0.00 46.19 46.88 2bh1 s LEU 193 CO 0.56 -0.18 0.21 -1.58 -0.29 0.00 0.00 176.35 175.07 2bh1 s GLN 194 N 1.25 2.97 -0.09 1.98 0.74 -0.73 -0.98 119.66 124.80 2bh1 s GLN 194 Ca -0.09 -0.99 -0.19 0.00 0.05 0.00 0.00 55.36 54.14 2bh1 s GLN 194 Cb -0.08 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 2bh1 s GLN 194 CO -0.11 -0.65 0.53 0.00 -0.55 0.00 0.00 175.29 174.52 2bh1 s ALA 195 N 1.59 3.46 -2.91 1.58 0.00 0.26 -1.06 121.76 124.68 2bh1 s ALA 195 Ca 0.03 -0.09 0.25 0.00 0.00 0.00 0.00 51.96 52.14 2bh1 s ALA 195 Cb -0.19 -2.71 0.33 0.00 0.00 0.00 0.00 23.12 20.55 2bh1 s ALA 195 CO 0.07 0.03 1.34 1.28 0.00 0.00 0.00 175.76 178.48 2bh1 n LEU 196 N 3.47 2.78 -4.15 0.00 4.77 0.48 -0.02 117.00 124.32 2bh1 n LEU 196 Ca -0.06 -0.94 -0.11 0.00 -0.03 0.00 0.00 56.01 54.88 2bh1 n LEU 196 Cb 0.51 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2bh1 n LEU 196 CO 0.44 0.47 -0.38 0.42 -1.33 0.00 0.00 177.39 177.00 2bh1 s THR 197 N -1.99 0.64 0.36 -5.08 -4.23 -1.26 -4.39 115.64 99.69 2bh1 s THR 197 Ca 0.30 -1.84 -0.28 0.00 -1.18 0.00 0.00 61.69 58.69 2bh1 s THR 197 Cb 0.20 -1.56 -0.12 0.00 1.34 0.00 0.00 72.50 72.36 2bh1 s THR 197 CO 0.31 -0.83 1.38 -2.65 -0.54 0.00 0.00 174.62 172.28 2bh1 n PRO 198 N 0.12 2.36 -3.07 3.99 -0.02 -1.26 -4.84 135.00 132.28 2bh1 n PRO 198 Ca -0.13 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 2bh1 n PRO 198 Cb 0.60 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2bh1 n PRO 198 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bh1 s LEU 199 N -1.49 4.02 1.07 2.45 1.43 -1.26 -4.94 118.68 119.95 2bh1 s LEU 199 Ca 0.54 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 2bh1 s LEU 199 Cb -0.53 -4.11 0.25 0.00 0.03 0.00 0.00 46.19 41.83 2bh1 s LEU 199 CO 0.63 -0.25 1.27 -2.16 0.23 0.00 0.00 176.35 176.07 2bh1 s PRO 200 N -3.13 -0.22 0.02 1.29 0.04 -1.26 -4.99 135.00 126.75 2bh1 s PRO 200 Ca 0.54 -0.39 -0.30 0.00 0.04 0.00 0.00 61.00 60.89 2bh1 s PRO 200 Cb -0.10 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2bh1 s PRO 200 CO 0.19 -2.99 1.46 -2.00 0.04 0.00 0.00 177.00 173.70 2bh1 s GLU 201 N -5.79 4.26 -0.01 4.56 2.12 -1.26 -5.01 118.70 117.57 2bh1 s GLU 201 Ca 0.75 2.06 0.01 0.00 0.36 0.00 0.00 54.97 58.15 2bh1 s GLU 201 Cb -0.04 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.79 2bh1 s GLU 201 CO 0.54 -0.61 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.11 2bh1 s LEU 202 N 2.40 1.75 -1.05 2.70 1.43 -1.26 -5.00 118.68 119.65 2bh1 s LEU 202 Ca 0.66 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2bh1 s LEU 202 Cb -0.34 -0.26 0.17 0.00 0.03 0.00 0.00 46.19 45.80 2bh1 s LEU 202 CO 0.28 0.01 1.21 -0.44 0.23 0.00 0.00 176.35 177.64 2bh1 s SER 203 N 0.26 6.88 0.26 2.29 0.01 -1.26 -5.01 113.70 117.13 2bh1 s SER 203 Ca -0.03 -2.63 0.01 0.00 1.31 0.00 0.00 55.95 54.62 2bh1 s SER 203 Cb -0.06 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2bh1 s SER 203 CO -0.00 -0.82 0.45 -0.76 0.41 0.00 0.00 173.24 172.51 2bh1 s LEU 204 N 1.64 4.17 0.85 2.44 1.43 -1.26 -4.98 118.68 122.96 2bh1 s LEU 204 Ca 0.35 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2bh1 s LEU 204 Cb -0.05 -3.17 0.10 0.00 0.03 0.00 0.00 46.19 43.10 2bh1 s LEU 204 CO -0.06 -0.14 1.09 0.00 0.23 0.00 0.00 176.35 177.48 2bh1 s ALA 205 N -2.06 1.87 0.10 4.21 0.00 -1.26 -4.93 121.76 119.68 2bh1 s ALA 205 Ca 0.38 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.00 2bh1 s ALA 205 Cb -0.10 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 2bh1 s ALA 205 CO 0.31 -2.07 1.74 1.49 0.00 0.00 0.00 175.76 177.23 2bh1 h GLU 206 N -1.34 0.11 0.00 0.00 4.57 -2.05 -2.23 114.58 113.64 2bh1 h GLU 206 Ca -0.48 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2bh1 h GLU 206 Cb 1.28 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2bh1 h GLU 206 CO 0.57 0.09 0.00 0.25 -1.18 0.00 0.00 179.01 178.73 2bh1 n THR 207 N -5.02 0.03 -2.66 0.32 -2.24 -1.26 -4.71 114.28 98.73 2bh1 n THR 207 Ca -0.06 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 2bh1 n THR 207 Cb 0.04 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 2bh1 n THR 207 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2bh1 s GLN 208 N -2.72 3.40 -0.63 -0.78 0.74 -0.84 -4.83 119.66 113.99 2bh1 s GLN 208 Ca 0.23 -0.01 -0.09 0.00 0.05 0.00 0.00 55.36 55.54 2bh1 s GLN 208 Cb 0.19 -4.06 0.16 0.00 1.10 0.00 0.00 33.01 30.41 2bh1 s GLN 208 CO 0.48 -1.69 0.51 -1.21 -0.55 0.00 0.00 175.29 172.82 2bh1 s GLU 209 N 4.72 2.85 -0.34 1.67 2.02 -1.26 -4.57 118.70 123.80 2bh1 s GLU 209 Ca 0.37 -2.24 -0.06 0.00 0.02 0.00 0.00 54.97 53.06 2bh1 s GLU 209 Cb -0.09 -4.02 0.04 0.00 0.10 0.00 0.00 34.13 30.16 2bh1 s GLU 209 CO 0.22 -1.22 0.11 -1.58 0.02 0.00 0.00 175.26 172.81 2bh1 s TRP 210 N 0.52 3.26 0.00 1.61 0.52 -1.26 -1.28 118.94 122.31 2bh1 s TRP 210 Ca 0.13 -1.45 0.06 0.00 0.02 0.00 0.00 56.10 54.86 2bh1 s TRP 210 Cb -0.19 -2.31 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2bh1 s TRP 210 CO -0.04 -0.74 -0.18 1.03 0.02 0.00 0.00 176.95 177.04 2bh1 s ARG 211 N 1.40 1.40 -0.21 4.98 0.52 -0.16 -4.97 118.95 121.91 2bh1 s ARG 211 Ca -0.01 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.22 2bh1 s ARG 211 Cb -0.20 -1.39 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 2bh1 s ARG 211 CO 0.03 0.37 0.88 -0.47 0.02 0.00 0.00 175.30 176.13 2bh1 s TYR 212 N -0.53 3.36 -0.39 -0.53 5.04 -1.26 -0.58 117.35 122.46 2bh1 s TYR 212 Ca 0.07 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 55.97 2bh1 s TYR 212 Cb -0.07 -3.09 0.11 0.00 0.35 0.00 0.00 41.96 39.26 2bh1 s TYR 212 CO -0.00 -0.36 0.14 -2.00 -1.34 0.00 0.00 175.55 171.99 2bh1 s GLU 213 N 2.67 1.75 -0.20 4.97 2.56 0.97 -4.93 118.70 126.50 2bh1 s GLU 213 Ca 0.38 -1.95 -0.32 0.00 0.00 0.00 0.00 54.97 53.08 2bh1 s GLU 213 Cb -0.16 -3.37 -0.09 0.00 2.00 0.00 0.00 34.13 32.51 2bh1 s GLU 213 CO 0.09 -1.01 2.10 -2.30 -0.56 0.00 0.00 175.26 173.58 2bh1 n PRO 214 N 4.24 1.87 0.00 4.30 -0.02 -1.26 -4.41 135.00 139.72 2bh1 n PRO 214 Ca 0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2bh1 n PRO 214 Cb 0.41 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 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 9.52 0.77 0.00 2.55 7.64 -1.26 -5.13 113.62 127.72 2bh1 n SER 215 Ca 0.30 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 59.23 2bh1 n SER 215 Cb 0.35 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.07 -1.44 3.72 0.23 0.00 -1.26 -4.97 105.19 101.54 2bh1 n GLY 216 Ca 0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 4.37 0.13 0.99 2.96 -1.26 -4.93 118.68 120.94 2bh1 s LEU 217 Ca 0.00 2.27 -0.23 0.00 -0.22 0.00 0.00 54.13 55.94 2bh1 s LEU 217 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2bh1 s LEU 217 CO 0.00 -0.62 1.65 0.58 -1.32 0.00 0.00 176.35 176.64 2bh1 h VAL 218 N 4.30 0.49 0.00 1.68 2.07 -1.95 -1.40 116.25 121.45 2bh1 h VAL 218 Ca -0.42 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2bh1 h VAL 218 Cb 1.21 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2bh1 h VAL 218 CO 0.85 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 178.51 2bh1 h MET 219 N -0.28 0.00 -0.13 1.57 2.86 -1.97 -1.56 114.93 115.42 2bh1 h MET 219 Ca 0.09 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 2bh1 h MET 219 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2bh1 h MET 219 CO -0.26 0.17 -0.37 0.37 1.06 0.00 0.00 176.91 177.88 2bh1 h GLN 220 N 0.00 0.49 -0.32 1.72 4.15 -1.84 -1.63 115.11 117.68 2bh1 h GLN 220 Ca -0.00 -0.34 0.06 0.00 0.77 0.00 0.00 58.65 59.14 2bh1 h GLN 220 Cb 0.67 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 2bh1 h GLN 220 CO 0.02 0.96 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.74 2bh1 h LEU 221 N 0.09 -0.29 -0.85 -2.39 3.38 -0.85 -1.43 115.31 112.98 2bh1 h LEU 221 Ca -0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2bh1 h LEU 221 Cb 0.98 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2bh1 h LEU 221 CO 0.08 -0.10 0.40 -0.07 0.09 0.00 0.00 178.44 178.84 2bh1 h LEU 222 N 0.00 1.12 -0.08 1.67 4.07 -1.35 -2.20 115.31 118.54 2bh1 h LEU 222 Ca 0.15 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2bh1 h LEU 222 Cb 0.23 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 2bh1 h LEU 222 CO -0.32 0.94 -0.10 0.74 -1.08 0.00 0.00 178.44 178.62 2bh1 h THR 223 N 1.21 1.38 -0.43 0.22 2.02 -0.91 -0.89 112.91 115.51 2bh1 h THR 223 Ca 0.29 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 2bh1 h THR 223 Cb 0.13 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2bh1 h THR 223 CO -0.04 0.37 0.07 1.56 0.37 0.00 0.00 175.52 177.85 2bh1 h GLN 224 N -0.23 0.72 -0.74 6.66 4.20 -1.29 -2.10 115.11 122.32 2bh1 h GLN 224 Ca 0.01 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 2bh1 h GLN 224 Cb 0.64 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2bh1 h GLN 224 CO 0.02 0.75 0.33 1.49 -0.67 0.00 0.00 178.83 180.76 2bh1 h GLU 225 N 0.58 1.08 -0.84 1.46 4.57 -1.43 -2.79 114.58 117.20 2bh1 h GLU 225 Ca 0.13 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2bh1 h GLU 225 Cb 0.38 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2bh1 h GLU 225 CO 0.01 0.85 0.50 0.00 -1.18 0.00 0.00 179.01 179.19 2bh1 h ALA 226 N 1.30 1.31 0.00 2.92 0.00 -0.80 -1.43 119.26 122.56 2bh1 h ALA 226 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bh1 h ALA 226 Cb 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2bh1 h ALA 226 CO -0.03 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.09 2bh1 n LEU 227 N -4.37 0.00 0.04 0.00 4.77 -0.82 -2.54 117.00 114.08 2bh1 n LEU 227 Ca 0.09 0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 2bh1 n LEU 227 Cb 0.06 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2bh1 n LEU 227 CO 0.38 -0.05 -0.16 0.41 -1.33 0.00 0.00 177.39 176.63 2bh1 n THR 228 N -1.10 0.27 -4.05 -5.08 -1.04 -0.54 -4.95 114.28 97.80 2bh1 n THR 228 Ca 0.10 -0.39 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 2bh1 n THR 228 Cb 0.08 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 2bh1 n THR 228 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2bh1 s SER 229 N -4.49 4.52 -0.14 8.00 1.04 -1.05 -5.05 113.70 116.53 2bh1 s SER 229 Ca -0.00 -1.06 0.15 0.00 0.48 0.00 0.00 55.95 55.51 2bh1 s SER 229 Cb 0.13 -0.38 0.33 0.00 0.10 0.00 0.00 66.02 66.20 2bh1 s SER 229 CO 0.82 -0.62 1.17 2.29 0.98 0.00 0.00 173.24 177.88 2bh1 n LYS 230 N -1.33 1.18 -1.92 4.02 2.85 -1.26 -5.02 118.16 116.68 2bh1 n LYS 230 Ca -0.01 -2.70 -0.42 0.00 -1.05 0.00 0.00 58.31 54.13 2bh1 n LYS 230 Cb 0.64 -1.32 -0.03 0.00 -0.65 0.00 0.00 35.03 33.67 2bh1 n LYS 230 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2bh1 s PHE 231 N -2.51 3.03 -0.23 5.58 2.99 -1.26 -5.01 117.98 120.57 2bh1 s PHE 231 Ca 0.32 0.65 -0.06 0.00 0.00 0.00 0.00 56.93 57.84 2bh1 s PHE 231 Cb 0.31 -3.94 0.11 0.00 0.00 0.00 0.00 43.02 39.50 2bh1 s PHE 231 CO -0.03 -3.42 0.46 1.21 -0.00 0.00 0.00 175.22 173.44 2bh1 s ASN 232 N 1.04 -0.38 0.13 1.36 3.84 -1.26 -4.59 114.94 115.07 2bh1 s ASN 232 Ca 0.69 0.93 0.22 0.00 0.21 0.00 0.00 52.86 54.91 2bh1 s ASN 232 Cb -0.44 1.51 0.88 0.00 -0.55 0.00 0.00 41.25 42.65 2bh1 s ASN 232 CO 0.33 -0.24 1.68 0.18 -2.79 0.00 0.00 177.10 176.26 2bh1 n LEU 233 N 5.40 0.39 -4.54 3.21 4.32 0.53 -4.42 117.00 121.89 2bh1 n LEU 233 Ca -0.08 0.57 -0.37 0.00 -0.02 0.00 0.00 56.01 56.12 2bh1 n LEU 233 Cb 0.50 -0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2bh1 n LEU 233 CO 0.01 -0.31 1.80 0.18 -1.22 0.00 0.00 177.39 177.84 2bh1 n LEU 234 N -1.91 4.17 -4.02 2.23 4.77 -1.26 -4.79 117.00 116.19 2bh1 n LEU 234 Ca 0.04 -3.59 -0.08 0.00 -0.03 0.00 0.00 56.01 52.35 2bh1 n LEU 234 Cb 0.26 -1.73 -0.10 0.00 -2.33 0.00 0.00 43.42 39.53 2bh1 n LEU 234 CO 0.21 -0.69 -0.30 0.42 -1.33 0.00 0.00 177.39 175.71 2bh1 s THR 235 N 7.15 0.18 0.00 -5.08 -4.23 -1.23 -4.38 115.64 108.05 2bh1 s THR 235 Ca 0.60 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2bh1 s THR 235 Cb 0.03 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.60 2bh1 s THR 235 CO 0.10 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 2bh1 n GLY 236 N 0.35 0.81 0.01 3.99 0.00 -1.26 -0.94 105.19 108.14 2bh1 n GLY 236 Ca -0.16 0.54 0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 9.68 0.06 -0.55 1.61 3.41 -1.26 -3.12 113.62 123.45 2bh1 n SER 237 Ca 0.00 0.27 0.06 0.00 -0.26 0.00 0.00 58.87 58.94 2bh1 n SER 237 Cb 0.00 -0.38 0.19 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.43 0.29 1.03 7.33 3.01 -0.12 -5.17 117.46 122.39 2bh1 n PHE 238 Ca 0.09 -1.28 0.08 0.00 1.01 0.00 0.00 57.45 57.35 2bh1 n PHE 238 Cb 0.32 -0.26 0.49 0.00 -0.01 0.00 0.00 39.48 40.01 2bh1 n PHE 238 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94