#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhx s VAL 17 N 0.00 5.08 -0.89 1.39 1.01 -1.25 -4.11 120.40 121.63 1bhx s VAL 17 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1bhx s VAL 17 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1bhx s VAL 17 CO 0.00 0.40 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 1bhx n GLU 18 N 3.93 -0.81 -1.19 2.72 -0.58 -1.26 -5.04 120.64 118.41 1bhx n GLU 18 Ca -0.16 0.53 -0.01 0.00 -0.42 0.00 0.00 57.16 57.09 1bhx n GLU 18 Cb 0.52 -4.58 0.00 0.00 -0.57 0.00 0.00 31.44 26.81 1bhx n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bhx n GLY 19 N -1.07 2.04 3.24 0.62 0.00 -1.26 -5.15 105.19 103.62 1bhx n GLY 19 Ca -0.12 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 1bhx n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhx s SER 20 N -1.25 1.24 0.24 1.61 0.01 -1.26 -5.12 113.70 109.17 1bhx s SER 20 Ca 0.04 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.83 1bhx s SER 20 Cb -0.00 0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.24 1bhx s SER 20 CO 0.03 -0.56 1.45 -1.81 0.41 0.00 0.00 173.24 172.75 1bhx s ASP 21 N -3.18 6.65 0.64 2.44 1.01 -1.26 -4.99 116.67 117.99 1bhx s ASP 21 Ca 0.24 2.65 -0.15 0.00 0.71 0.00 0.00 52.55 55.99 1bhx s ASP 21 Cb 0.06 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1bhx s ASP 21 CO 0.04 -0.71 1.10 0.00 0.21 0.00 0.00 175.17 175.81 1bhx s ALA 22 N 0.13 2.53 0.67 5.23 0.00 -1.26 -5.04 121.76 124.02 1bhx s ALA 22 Ca 0.60 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1bhx s ALA 22 Cb -0.42 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.42 1bhx s ALA 22 CO 0.42 -1.17 1.02 -1.21 0.00 0.00 0.00 175.76 174.81 1bhx s GLU 23 N -4.06 2.76 0.40 0.00 2.02 -1.26 -5.00 118.70 113.55 1bhx s GLU 23 Ca 0.67 0.18 -0.25 0.00 0.02 0.00 0.00 54.97 55.58 1bhx s GLU 23 Cb -0.20 -2.13 -0.08 0.00 0.10 0.00 0.00 34.13 31.82 1bhx s GLU 23 CO 0.40 -0.96 1.19 0.42 0.02 0.00 0.00 175.26 176.33 1bhx s ILE 24 N -3.22 3.08 0.00 -1.63 -1.09 -1.26 -2.80 121.20 114.29 1bhx s ILE 24 Ca 0.57 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 1bhx s ILE 24 Cb -0.11 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1bhx s ILE 24 CO 0.48 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1bhx n GLY 25 N 0.64 0.05 0.27 6.18 0.00 -1.26 -4.83 105.19 106.25 1bhx n GLY 25 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1bhx n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1bhx h MET 26 N 0.12 0.00 -1.55 1.61 -1.53 -1.90 -3.32 114.93 108.37 1bhx h MET 26 Ca 0.00 0.00 -0.47 0.00 -3.44 0.00 0.00 59.70 55.79 1bhx h MET 26 Cb 0.62 0.00 -0.34 0.00 -0.55 0.00 0.00 31.60 31.33 1bhx h MET 26 CO 0.00 0.06 -0.98 0.45 0.14 0.00 0.00 176.91 176.58 1bhx n SER 27 N -3.24 -0.37 0.00 1.39 2.88 -1.26 -4.99 113.62 108.03 1bhx n SER 27 Ca -0.00 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1bhx n SER 27 Cb 0.28 -0.07 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1bhx n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bhx n PRO 28 N 1.18 0.00 0.00 -1.46 -0.04 -1.25 -1.72 135.00 131.72 1bhx n PRO 28 Ca 0.19 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1bhx n PRO 28 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 1bhx n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bhx n TRP 29 N -1.33 0.00 -1.80 0.54 2.14 -1.13 -1.67 117.44 114.19 1bhx n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1bhx n TRP 29 Cb 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.45 1bhx n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bhx s GLN 30 N -3.00 4.16 0.22 -2.67 2.00 -0.70 -1.11 119.66 118.56 1bhx s GLN 30 Ca 0.08 2.49 0.10 0.00 -2.00 0.00 0.00 55.36 56.03 1bhx s GLN 30 Cb 0.16 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1bhx s GLN 30 CO 0.86 -0.79 -0.09 0.08 -0.50 0.00 0.00 175.29 174.84 1bhx s VAL 31 N 2.63 3.14 -0.10 1.34 1.01 -0.64 -4.15 120.40 123.62 1bhx s VAL 31 Ca 0.78 -1.85 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1bhx s VAL 31 Cb -0.44 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1bhx s VAL 31 CO 0.35 -0.22 -0.23 -0.32 0.00 0.00 0.00 175.10 174.67 1bhx s MET 32 N -3.16 3.06 -0.23 2.72 1.75 -0.45 -2.04 119.30 120.97 1bhx s MET 32 Ca 0.27 -0.87 -0.18 0.00 -1.25 0.00 0.00 55.69 53.66 1bhx s MET 32 Cb -0.08 -2.32 -0.03 0.00 2.84 0.00 0.00 34.83 35.25 1bhx s MET 32 CO 0.16 0.17 0.53 -0.51 -0.65 0.00 0.00 175.02 174.73 1bhx s LEU 33 N 0.36 4.10 -0.07 4.11 1.02 0.29 -1.32 118.68 127.18 1bhx s LEU 33 Ca -0.18 0.63 0.04 0.00 0.02 0.00 0.00 54.13 54.64 1bhx s LEU 33 Cb -0.18 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.32 1bhx s LEU 33 CO 0.08 -0.24 -0.20 0.12 0.02 0.00 0.00 176.35 176.13 1bhx s PHE 34 N 1.99 2.15 0.19 0.29 5.36 0.29 -0.78 117.98 127.47 1bhx s PHE 34 Ca 0.23 -0.78 -0.29 0.00 -0.96 0.00 0.00 56.93 55.13 1bhx s PHE 34 Cb -0.15 -1.45 -0.08 0.00 -0.34 0.00 0.00 43.02 40.99 1bhx s PHE 34 CO 0.09 -0.31 0.92 0.50 -1.46 0.00 0.00 175.22 174.97 1bhx s ARG 35 N 0.26 4.78 0.13 10.12 3.52 -0.20 -0.71 118.95 136.85 1bhx s ARG 35 Ca -0.12 1.43 -0.15 0.00 -0.13 0.00 0.00 55.73 56.76 1bhx s ARG 35 Cb -0.16 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1bhx s ARG 35 CO 0.06 0.44 1.59 0.87 -0.81 0.00 0.00 175.30 177.45 1bhx h LYS 36 N 4.59 0.71 -1.26 5.12 1.57 -1.72 -3.22 116.57 122.35 1bhx h LYS 36 Ca -0.45 -0.21 0.15 0.00 -1.87 0.00 0.00 60.65 58.28 1bhx h LYS 36 Cb 1.20 -0.07 -0.23 0.00 0.08 0.00 0.00 32.23 33.21 1bhx h LYS 36 CO 0.69 0.77 0.12 0.45 -0.57 0.00 0.00 179.45 180.91 1bhx s SER 36 N -6.16 -0.74 0.40 0.86 0.15 -1.26 -3.94 113.70 103.01 1bhx s SER 36 Ca -0.13 1.00 -0.27 0.00 0.70 0.00 0.00 55.95 57.25 1bhx s SER 36 Cb 0.10 1.83 -0.10 0.00 -1.71 0.00 0.00 66.02 66.15 1bhx s SER 36 CO 0.79 -0.14 1.44 -2.16 1.20 0.00 0.00 173.24 174.36 1bhx s PRO 37 N 2.59 3.97 -0.29 5.44 0.04 -1.26 -5.06 135.00 140.42 1bhx s PRO 37 Ca -0.03 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 1bhx s PRO 37 Cb -0.08 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 1bhx s PRO 37 CO -0.18 -0.60 1.60 -0.65 0.04 0.00 0.00 177.00 177.21 1bhx s GLN 38 N -2.21 3.66 0.08 4.56 -0.21 -1.25 -4.57 119.66 119.71 1bhx s GLN 38 Ca 0.56 1.45 -0.23 0.00 0.02 0.00 0.00 55.36 57.15 1bhx s GLN 38 Cb -0.44 -4.06 0.06 0.00 1.00 0.00 0.00 33.01 29.57 1bhx s GLN 38 CO 0.59 -1.46 0.55 -1.83 -2.12 0.00 0.00 175.29 171.02 1bhx s GLU 39 N 4.92 1.12 -0.15 2.91 -1.05 -1.22 -4.97 118.70 120.26 1bhx s GLU 39 Ca 0.70 -0.29 -0.29 0.00 -0.15 0.00 0.00 54.97 54.94 1bhx s GLU 39 Cb -0.22 0.51 -0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1bhx s GLU 39 CO 0.30 -0.43 1.01 -1.17 0.95 0.00 0.00 175.26 175.92 1bhx s LEU 40 N -2.20 4.19 -0.23 1.83 2.96 -1.26 -1.03 118.68 122.93 1bhx s LEU 40 Ca -0.03 1.46 -0.18 0.00 -0.22 0.00 0.00 54.13 55.15 1bhx s LEU 40 Cb -0.00 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 43.00 1bhx s LEU 40 CO -0.05 -0.52 -0.01 0.18 -1.32 0.00 0.00 176.35 174.63 1bhx n LEU 41 N 5.48 1.90 0.00 -0.68 4.32 0.04 -4.96 117.00 123.10 1bhx n LEU 41 Ca 0.10 0.39 -0.05 0.00 -0.02 0.00 0.00 56.01 56.44 1bhx n LEU 41 Cb 0.48 -0.91 0.02 0.00 -1.62 0.00 0.00 43.42 41.39 1bhx n LEU 41 CO 0.52 0.37 0.40 0.00 -1.22 0.00 0.00 177.39 177.45 1bhx s GLY 43 N -2.50 2.19 0.10 0.00 0.00 -1.26 -0.55 107.32 105.30 1bhx s GLY 43 Ca 0.12 -1.62 -0.22 0.00 0.00 0.00 0.00 44.72 43.00 1bhx s GLY 43 CO 0.06 -1.82 1.04 0.00 0.00 0.00 0.00 173.10 172.38 1bhx n ALA 44 N -1.78 -2.81 -2.84 3.20 0.00 -0.86 -4.68 120.51 110.74 1bhx n ALA 44 Ca 0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 1bhx n ALA 44 Cb 0.63 0.39 -0.10 0.00 0.00 0.00 0.00 19.45 20.37 1bhx n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bhx s SER 45 N -3.40 0.19 -0.25 0.00 1.04 -0.07 -1.62 113.70 109.59 1bhx s SER 45 Ca 0.24 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 56.03 1bhx s SER 45 Cb -0.02 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1bhx s SER 45 CO 0.03 -0.42 0.35 -0.22 0.98 0.00 0.00 173.24 173.97 1bhx s LEU 46 N -1.81 4.07 -0.01 2.42 2.96 -0.27 -0.74 118.68 125.30 1bhx s LEU 46 Ca -0.10 0.31 0.15 0.00 -0.22 0.00 0.00 54.13 54.27 1bhx s LEU 46 Cb -0.05 -2.41 -0.19 0.00 0.50 0.00 0.00 46.19 44.04 1bhx s LEU 46 CO -0.02 -0.14 0.49 2.30 -1.32 0.00 0.00 176.35 177.66 1bhx n ILE 47 N 4.88 0.00 -3.55 6.68 -5.35 -0.67 -1.57 119.36 119.77 1bhx n ILE 47 Ca -0.09 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.10 1bhx n ILE 47 Cb 0.51 0.62 0.02 0.00 -1.74 0.00 0.00 39.64 39.05 1bhx n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1bhx n SER 48 N -1.64 -1.41 0.15 7.28 3.41 -1.22 -4.66 113.62 115.53 1bhx n SER 48 Ca 0.00 -1.93 0.13 0.00 -0.26 0.00 0.00 58.87 56.81 1bhx n SER 48 Cb 0.30 2.33 0.53 0.00 -0.26 0.00 0.00 64.21 67.11 1bhx n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1bhx h ASP 49 N 1.27 0.00 0.00 4.04 2.03 -1.97 -3.26 116.42 118.53 1bhx h ASP 49 Ca -0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1bhx h ASP 49 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1bhx h ASP 49 CO 0.27 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.02 1bhx n ARG 50 N -2.36 -0.61 -4.82 4.15 1.74 -1.26 -0.46 116.66 113.04 1bhx n ARG 50 Ca 0.02 -0.35 -0.25 0.00 -0.77 0.00 0.00 57.85 56.50 1bhx n ARG 50 Cb 0.23 -0.83 -0.15 0.00 -1.02 0.00 0.00 32.46 30.68 1bhx n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1bhx s TRP 51 N -0.01 1.60 -0.05 -1.55 0.52 -1.23 -0.67 118.94 117.55 1bhx s TRP 51 Ca 0.00 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 55.85 1bhx s TRP 51 Cb 0.00 -1.02 -0.00 0.00 -1.15 0.00 0.00 33.47 31.30 1bhx s TRP 51 CO 0.00 -0.02 -0.18 0.08 0.02 0.00 0.00 176.95 176.86 1bhx s VAL 52 N -0.46 1.47 -0.10 4.03 1.01 -0.74 -1.67 120.40 123.93 1bhx s VAL 52 Ca 0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1bhx s VAL 52 Cb -0.07 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1bhx s VAL 52 CO -0.00 0.42 0.03 -0.22 0.00 0.00 0.00 175.10 175.33 1bhx s LEU 53 N 0.07 3.76 0.00 3.92 2.96 0.08 -1.30 118.68 128.18 1bhx s LEU 53 Ca -0.05 0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1bhx s LEU 53 Cb -0.12 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1bhx s LEU 53 CO 0.03 0.36 0.46 1.07 -1.32 0.00 0.00 176.35 176.95 1bhx n THR 54 N 2.27 0.00 -3.37 3.68 5.66 -0.66 -0.89 114.28 120.97 1bhx n THR 54 Ca -0.19 -1.23 -0.37 0.00 -3.05 0.00 0.00 64.05 59.21 1bhx n THR 54 Cb 0.54 0.85 -0.06 0.00 -1.55 0.00 0.00 70.33 70.11 1bhx n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bhx s ALA 55 N -2.33 3.62 0.43 1.79 0.00 -1.26 -1.89 121.76 122.13 1bhx s ALA 55 Ca 0.20 -0.10 0.25 0.00 0.00 0.00 0.00 51.96 52.31 1bhx s ALA 55 Cb -0.02 -2.52 1.39 0.00 0.00 0.00 0.00 23.12 21.97 1bhx s ALA 55 CO 0.14 0.44 2.07 0.00 0.00 0.00 0.00 175.76 178.42 1bhx h ALA 56 N 4.25 1.38 0.00 0.00 0.00 -1.68 -2.42 119.26 120.78 1bhx h ALA 56 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1bhx h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bhx h ALA 56 CO 0.64 0.16 0.00 1.12 0.00 0.00 0.00 179.25 181.16 1bhx h HIS 57 N 0.00 0.00 0.00 0.00 2.07 -1.91 -0.17 115.15 115.15 1bhx h HIS 57 Ca -0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 1bhx h HIS 57 Cb 0.31 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 1bhx h HIS 57 CO 0.00 0.00 -0.47 0.00 -3.07 0.00 0.00 177.93 174.39 1bhx n LEU 59 N -3.67 2.85 -3.82 0.00 4.77 -0.90 -4.88 117.00 111.35 1bhx n LEU 59 Ca -0.01 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.62 1bhx n LEU 59 Cb 0.54 -0.55 -0.17 0.00 -2.33 0.00 0.00 43.42 40.91 1bhx n LEU 59 CO 0.39 0.77 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.59 1bhx s LEU 60 N -5.95 1.13 0.13 2.23 2.96 -0.12 -0.28 118.68 118.77 1bhx s LEU 60 Ca -0.22 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.05 1bhx s LEU 60 Cb 0.06 -0.68 0.04 0.00 0.50 0.00 0.00 46.19 46.11 1bhx s LEU 60 CO 0.40 -0.20 0.46 -0.47 -1.32 0.00 0.00 176.35 175.21 1bhx s TYR 60 N 1.80 -0.30 0.00 5.38 5.04 0.29 -4.08 117.35 125.48 1bhx s TYR 60 Ca 0.02 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1bhx s TYR 60 Cb -0.14 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1bhx s TYR 60 CO -0.07 -0.74 0.00 -2.30 -1.34 0.00 0.00 175.55 171.10 1bhx n PRO 60 N -0.24 0.00 -0.55 4.97 -0.02 -1.26 -2.36 135.00 135.54 1bhx n PRO 60 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1bhx n PRO 60 Cb 0.64 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.42 1bhx n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1bhx n TRP 60 N 0.00 1.27 -2.03 6.00 8.01 -1.26 -4.96 117.44 124.48 1bhx n TRP 60 Ca 0.00 -0.72 -0.18 0.00 -1.31 0.00 0.00 57.50 55.29 1bhx n TRP 60 Cb 0.00 -0.30 -0.04 0.00 -2.01 0.00 0.00 31.31 28.96 1bhx n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bhx n ASP 60 N 0.31 -5.00 -4.70 -0.99 8.00 -1.18 -4.95 116.55 108.04 1bhx n ASP 60 Ca 0.23 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.56 1bhx n ASP 60 Cb 0.90 -4.31 -0.06 0.00 -0.02 0.00 0.00 41.12 37.63 1bhx n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bhx s LYS 60 N -4.38 4.32 -0.40 -1.24 2.20 -0.99 -4.98 119.74 114.27 1bhx s LYS 60 Ca 0.00 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1bhx s LYS 60 Cb 0.00 -3.48 0.20 0.00 -1.51 0.00 0.00 37.83 33.04 1bhx s LYS 60 CO 0.00 0.04 0.90 1.21 -0.36 0.00 0.00 175.35 177.14 1bhx s ASN 60 N 0.81 -0.86 0.26 1.43 2.47 -1.17 -0.55 114.94 117.34 1bhx s ASN 60 Ca 0.28 -0.78 -0.16 0.00 0.42 0.00 0.00 52.86 52.63 1bhx s ASN 60 Cb -0.16 1.11 -0.08 0.00 -1.45 0.00 0.00 41.25 40.67 1bhx s ASN 60 CO 0.12 -0.06 0.69 -0.36 -3.72 0.00 0.00 177.10 173.77 1bhx s PHE 60 N 1.33 3.49 0.35 0.43 0.08 0.61 -5.01 117.98 119.27 1bhx s PHE 60 Ca 0.22 1.21 0.09 0.00 0.12 0.00 0.00 56.93 58.56 1bhx s PHE 60 Cb 0.04 -2.51 -0.06 0.00 -0.57 0.00 0.00 43.02 39.92 1bhx s PHE 60 CO -0.09 0.23 0.00 0.95 -0.10 0.00 0.00 175.22 176.21 1bhx s THR 60 N -1.76 2.44 0.26 0.64 -4.23 -1.26 -4.86 115.64 106.87 1bhx s THR 60 Ca 0.48 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1bhx s THR 60 Cb -0.13 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 71.22 1bhx s THR 60 CO 0.19 -0.16 1.63 -0.33 -0.54 0.00 0.00 174.62 175.41 1bhx h GLU 61 N 1.82 0.10 0.00 3.99 3.07 -1.93 0.10 114.58 121.73 1bhx h GLU 61 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1bhx h GLU 61 Cb 1.25 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1bhx h GLU 61 CO 0.69 0.07 0.00 0.09 -1.40 0.00 0.00 179.01 178.46 1bhx n ASN 62 N -5.36 0.08 0.07 1.42 3.02 -1.26 -2.48 115.26 110.74 1bhx n ASN 62 Ca 0.16 0.52 0.12 0.00 -0.03 0.00 0.00 54.58 55.35 1bhx n ASN 62 Cb 0.53 -0.53 0.20 0.00 -0.61 0.00 0.00 39.78 39.37 1bhx n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bhx n ASP 63 N -1.58 0.72 -4.52 6.41 8.00 0.36 -4.90 116.55 121.04 1bhx n ASP 63 Ca 0.04 0.18 -0.25 0.00 0.71 0.00 0.00 54.79 55.47 1bhx n ASP 63 Cb 0.19 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.22 1bhx n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bhx s LEU 64 N -4.29 2.69 0.01 0.64 1.43 -1.04 -1.93 118.68 116.20 1bhx s LEU 64 Ca 0.07 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1bhx s LEU 64 Cb 0.13 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 1bhx s LEU 64 CO 0.71 -0.07 -0.05 -0.22 0.23 0.00 0.00 176.35 176.94 1bhx s LEU 65 N -3.57 2.09 -0.20 1.79 2.96 0.12 -4.48 118.68 117.40 1bhx s LEU 65 Ca 0.31 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1bhx s LEU 65 Cb -0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 1bhx s LEU 65 CO 0.16 -0.05 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.43 1bhx s VAL 66 N -0.56 3.69 -0.30 1.68 1.01 -0.41 -0.55 120.40 124.96 1bhx s VAL 66 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1bhx s VAL 66 Cb -0.05 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1bhx s VAL 66 CO -0.00 0.44 0.03 -0.13 0.00 0.00 0.00 175.10 175.44 1bhx s ARG 67 N 1.04 2.66 -0.04 2.72 0.52 -0.43 -0.26 118.95 125.16 1bhx s ARG 67 Ca 0.01 -1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1bhx s ARG 67 Cb -0.15 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1bhx s ARG 67 CO 0.01 -0.56 0.03 0.42 0.02 0.00 0.00 175.30 175.21 1bhx s ILE 68 N 1.35 4.41 0.00 1.52 1.01 0.12 -1.34 121.20 128.27 1bhx s ILE 68 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1bhx s ILE 68 Cb -0.19 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1bhx s ILE 68 CO -0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1bhx n GLY 69 N 1.65 0.58 3.89 6.18 0.00 -1.26 -0.23 105.19 116.00 1bhx n GLY 69 Ca -0.16 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1bhx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bhx s LYS 70 N -1.30 3.70 0.13 1.61 1.02 -1.26 -4.13 119.74 119.51 1bhx s LYS 70 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1bhx s LYS 70 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1bhx s LYS 70 CO 0.00 -0.06 0.00 1.58 -0.92 0.00 0.00 175.35 175.95 1bhx n HIS 71 N -1.51 -0.89 -2.41 3.18 -0.00 -1.26 -5.01 115.22 107.32 1bhx n HIS 71 Ca 0.01 0.16 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 1bhx n HIS 71 Cb 0.54 0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.80 1bhx n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bhx s SER 72 N -5.29 7.13 0.03 0.26 0.15 -1.26 -4.96 113.70 109.75 1bhx s SER 72 Ca 0.00 2.17 -0.28 0.00 0.70 0.00 0.00 55.95 58.54 1bhx s SER 72 Cb 0.00 -2.60 -0.17 0.00 -1.71 0.00 0.00 66.02 61.54 1bhx s SER 72 CO 0.00 -0.35 1.29 -0.09 1.20 0.00 0.00 173.24 175.29 1bhx h ARG 73 N 5.41 -0.73 -0.10 5.44 2.43 -1.97 -3.38 114.38 121.48 1bhx h ARG 73 Ca -0.44 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 1bhx h ARG 73 Cb 1.21 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1bhx h ARG 73 CO 0.75 -0.42 -0.28 1.15 -1.51 0.00 0.00 179.97 179.66 1bhx h THR 74 N -0.99 1.40 -3.98 0.20 2.02 -2.00 -3.48 112.91 106.07 1bhx h THR 74 Ca -0.08 -1.61 -0.52 0.00 0.77 0.00 0.00 66.41 64.97 1bhx h THR 74 Cb 0.65 2.19 0.08 0.00 -1.74 0.00 0.00 68.15 69.32 1bhx h THR 74 CO 0.13 0.47 0.54 -0.13 0.37 0.00 0.00 175.52 176.90 1bhx s ARG 75 N -3.83 3.80 -0.72 6.66 3.00 -1.26 -4.99 118.95 121.61 1bhx s ARG 75 Ca -0.14 1.96 -0.19 0.00 0.00 0.00 0.00 55.73 57.36 1bhx s ARG 75 Cb 0.04 -2.55 0.12 0.00 0.00 0.00 0.00 34.95 32.57 1bhx s ARG 75 CO 0.77 -0.56 0.86 -0.47 0.00 0.00 0.00 175.30 175.90 1bhx s TYR 76 N -1.40 3.09 -1.08 -0.53 5.04 -1.26 -4.89 117.35 116.32 1bhx s TYR 76 Ca 0.61 -1.17 -0.21 0.00 -2.44 0.00 0.00 57.07 53.87 1bhx s TYR 76 Cb -0.33 -4.10 -0.08 0.00 0.35 0.00 0.00 41.96 37.80 1bhx s TYR 76 CO 0.41 -1.35 1.93 0.39 -1.34 0.00 0.00 175.55 175.59 1bhx n GLU 77 N 6.24 1.92 -1.49 4.97 1.02 -1.26 -4.98 120.64 127.06 1bhx n GLU 77 Ca 0.03 -2.37 -0.42 0.00 -0.02 0.00 0.00 57.16 54.39 1bhx n GLU 77 Cb 0.45 -3.36 0.01 0.00 -0.02 0.00 0.00 31.44 28.52 1bhx n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bhx n ARG 77 N 7.61 0.74 -0.55 3.49 1.74 -1.26 -1.77 116.66 126.65 1bhx n ARG 77 Ca 0.48 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1bhx n ARG 77 Cb 0.43 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1bhx n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bhx n ASN 78 N 1.07 0.00 0.03 0.55 5.03 -1.26 -4.70 115.26 115.97 1bhx n ASN 78 Ca 0.11 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.55 1bhx n ASN 78 Cb 0.39 -1.97 -0.00 0.00 -1.02 0.00 0.00 39.78 37.17 1bhx n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1bhx n ILE 79 N -2.00 1.19 -2.26 2.41 5.41 -0.73 -5.08 119.36 118.29 1bhx n ILE 79 Ca 0.00 0.36 -0.31 0.00 1.00 0.00 0.00 62.75 63.80 1bhx n ILE 79 Cb 0.00 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.29 1bhx n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1bhx s GLU 80 N -2.02 3.79 -0.02 0.38 -1.05 -0.94 -4.77 118.70 114.08 1bhx s GLU 80 Ca -0.03 0.80 0.05 0.00 -0.15 0.00 0.00 54.97 55.65 1bhx s GLU 80 Cb 0.00 -2.15 -0.01 0.00 -0.44 0.00 0.00 34.13 31.53 1bhx s GLU 80 CO 0.04 -0.35 -0.18 0.15 0.95 0.00 0.00 175.26 175.87 1bhx s LYS 81 N -4.48 1.50 -0.13 -4.83 1.02 0.68 -4.92 119.74 108.59 1bhx s LYS 81 Ca 0.56 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.93 1bhx s LYS 81 Cb -0.10 -1.42 -0.01 0.00 -0.52 0.00 0.00 37.83 35.78 1bhx s LYS 81 CO 0.40 0.37 -0.17 0.42 -0.92 0.00 0.00 175.35 175.45 1bhx s ILE 82 N -0.36 2.65 0.17 2.17 1.01 -1.26 0.12 121.20 125.70 1bhx s ILE 82 Ca 0.05 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1bhx s ILE 82 Cb -0.07 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1bhx s ILE 82 CO -0.00 0.53 -0.16 -0.44 0.00 0.00 0.00 174.94 174.87 1bhx s SER 83 N 0.47 2.45 0.14 3.58 0.01 0.64 -4.97 113.70 116.02 1bhx s SER 83 Ca -0.12 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.26 1bhx s SER 83 Cb -0.16 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1bhx s SER 83 CO 0.05 -0.12 0.25 -0.04 0.41 0.00 0.00 173.24 173.79 1bhx s MET 84 N -3.10 3.35 0.02 12.44 -1.94 -1.26 -1.29 119.30 127.52 1bhx s MET 84 Ca 0.17 -0.62 -0.12 0.00 -1.71 0.00 0.00 55.69 53.40 1bhx s MET 84 Cb -0.03 -2.92 -0.06 0.00 2.01 0.00 0.00 34.83 33.83 1bhx s MET 84 CO 0.06 0.53 0.39 -0.51 -0.01 0.00 0.00 175.02 175.47 1bhx s LEU 85 N -3.12 4.42 -0.27 -0.03 1.43 -1.26 -0.84 118.68 119.01 1bhx s LEU 85 Ca 0.34 0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 1bhx s LEU 85 Cb -0.11 -2.70 -0.13 0.00 0.03 0.00 0.00 46.19 43.28 1bhx s LEU 85 CO 0.28 0.28 -0.32 1.21 0.23 0.00 0.00 176.35 178.02 1bhx n GLU 86 N 1.50 0.61 -3.74 1.70 2.13 0.11 -4.70 120.64 118.24 1bhx n GLU 86 Ca -0.12 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 57.79 1bhx n GLU 86 Cb 0.52 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 1bhx n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bhx s LYS 87 N -2.51 0.58 -0.10 5.31 -0.14 -1.22 -4.98 119.74 116.68 1bhx s LYS 87 Ca -0.38 0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.46 1bhx s LYS 87 Cb 0.13 0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 36.54 1bhx s LYS 87 CO 0.52 -0.13 -0.15 0.42 -0.76 0.00 0.00 175.35 175.25 1bhx s ILE 88 N -0.53 2.93 -0.15 2.17 1.01 -1.26 -1.19 121.20 124.17 1bhx s ILE 88 Ca -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1bhx s ILE 88 Cb -0.04 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1bhx s ILE 88 CO 0.03 0.55 -0.19 -0.31 0.00 0.00 0.00 174.94 175.01 1bhx s TYR 89 N -0.05 2.57 -0.04 3.97 2.02 0.12 -4.99 117.35 120.95 1bhx s TYR 89 Ca -0.03 -1.41 -0.00 0.00 -0.37 0.00 0.00 57.07 55.26 1bhx s TYR 89 Cb -0.14 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1bhx s TYR 89 CO 0.04 -0.69 0.01 0.42 -1.57 0.00 0.00 175.55 173.76 1bhx s ILE 90 N 1.12 4.27 0.31 2.71 -1.09 -1.26 -0.66 121.20 126.60 1bhx s ILE 90 Ca -0.00 -0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 57.68 1bhx s ILE 90 Cb -0.14 -2.86 -0.12 0.00 -1.58 0.00 0.00 42.46 37.76 1bhx s ILE 90 CO -0.08 0.47 1.50 1.57 -1.23 0.00 0.00 174.94 177.17 1bhx n HIS 91 N 1.68 2.70 -0.16 3.97 -0.00 -1.07 -4.87 115.22 117.47 1bhx n HIS 91 Ca -0.16 0.37 0.04 0.00 -0.00 0.00 0.00 57.72 57.98 1bhx n HIS 91 Cb 0.53 -2.53 0.34 0.00 -0.00 0.00 0.00 29.99 28.32 1bhx n HIS 91 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1bhx h PRO 92 N 3.93 0.77 -0.70 1.57 0.11 -1.94 -2.90 132.00 132.83 1bhx h PRO 92 Ca -0.47 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.31 1bhx h PRO 92 Cb 1.24 -0.17 -0.17 0.00 0.11 0.00 0.00 31.00 32.01 1bhx h PRO 92 CO 0.73 0.51 0.30 0.54 -0.21 0.00 0.00 178.00 179.86 1bhx n ARG 93 N -4.46 2.84 -1.89 1.05 1.74 -1.26 -4.98 116.66 109.70 1bhx n ARG 93 Ca 0.09 -3.07 -0.42 0.00 -0.77 0.00 0.00 57.85 53.68 1bhx n ARG 93 Cb 0.14 -2.10 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 1bhx n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1bhx s TYR 94 N -3.13 1.87 -0.96 -1.55 5.04 -1.10 -4.72 117.35 112.80 1bhx s TYR 94 Ca 0.53 0.03 -0.13 0.00 -2.44 0.00 0.00 57.07 55.05 1bhx s TYR 94 Cb 0.44 -4.02 0.22 0.00 0.35 0.00 0.00 41.96 38.95 1bhx s TYR 94 CO 0.10 -4.35 0.98 1.21 -1.34 0.00 0.00 175.55 172.14 1bhx s ASN 95 N 3.46 6.93 0.22 4.32 3.84 0.82 -4.83 114.94 129.70 1bhx s ASN 95 Ca 0.78 -2.88 0.10 0.00 0.21 0.00 0.00 52.86 51.07 1bhx s ASN 95 Cb -0.37 -2.25 0.11 0.00 -0.55 0.00 0.00 41.25 38.18 1bhx s ASN 95 CO 0.33 -0.58 1.46 4.11 -2.79 0.00 0.00 177.10 179.63 1bhx h TRP 96 N 7.56 0.00 -0.70 0.43 5.08 -1.92 0.31 115.95 126.72 1bhx h TRP 96 Ca 0.15 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.14 1bhx h TRP 96 Cb 0.98 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.10 1bhx h TRP 96 CO 0.98 0.74 0.46 0.00 -1.28 0.00 0.00 178.44 179.35 1bhx h ARG 97 N 0.00 0.87 0.00 0.12 3.08 -2.00 -3.42 114.38 113.03 1bhx h ARG 97 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1bhx h ARG 97 Cb 1.41 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1bhx h ARG 97 CO 0.10 0.57 -0.21 -1.91 -1.07 0.00 0.00 179.97 177.45 1bhx n GLU 97 N -4.44 0.03 -0.17 0.04 2.13 -1.24 -5.00 120.64 111.99 1bhx n GLU 97 Ca 0.08 0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.93 1bhx n GLU 97 Cb 0.08 -0.55 0.02 0.00 0.27 0.00 0.00 31.44 31.26 1bhx n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1bhx n ASN 98 N -3.48 0.77 -3.63 4.31 0.23 -1.23 -5.02 115.26 107.21 1bhx n ASN 98 Ca -0.01 -1.85 -0.24 0.00 -0.53 0.00 0.00 54.58 51.95 1bhx n ASN 98 Cb 0.10 -0.13 0.07 0.00 -2.08 0.00 0.00 39.78 37.74 1bhx n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1bhx n LEU 99 N -0.34 -3.33 -4.75 -4.53 4.77 0.11 -4.95 117.00 103.97 1bhx n LEU 99 Ca 0.03 -0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 55.01 1bhx n LEU 99 Cb 0.54 -2.96 -0.05 0.00 -2.33 0.00 0.00 43.42 38.61 1bhx n LEU 99 CO 0.00 0.59 0.73 -0.62 -1.33 0.00 0.00 177.39 176.76 1bhx s ASP 100 N -3.45 7.44 -1.27 -1.43 2.15 -1.20 -3.33 116.67 115.58 1bhx s ASP 100 Ca 0.53 2.11 -0.04 0.00 0.43 0.00 0.00 52.55 55.58 1bhx s ASP 100 Cb -0.24 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.77 1bhx s ASP 100 CO 0.75 -0.01 1.09 0.54 -0.17 0.00 0.00 175.17 177.37 1bhx n ARG 101 N 1.38 -7.26 -2.42 4.34 1.74 -1.26 -0.12 116.66 113.05 1bhx n ARG 101 Ca -0.01 0.84 -0.38 0.00 -0.77 0.00 0.00 57.85 57.52 1bhx n ARG 101 Cb 0.46 -5.86 -0.02 0.00 -1.02 0.00 0.00 32.46 26.01 1bhx n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1bhx s ASP 102 N -3.85 6.23 0.01 0.55 2.15 -1.21 -4.38 116.67 116.16 1bhx s ASP 102 Ca 0.29 -1.92 -0.13 0.00 0.43 0.00 0.00 52.55 51.22 1bhx s ASP 102 Cb -0.13 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1bhx s ASP 102 CO 0.73 -1.79 0.26 -0.51 -0.17 0.00 0.00 175.17 173.69 1bhx s ILE 103 N 6.36 0.07 -0.11 4.11 2.07 -1.26 -3.90 121.20 128.55 1bhx s ILE 103 Ca 0.57 -0.60 -0.28 0.00 -1.41 0.00 0.00 60.65 58.93 1bhx s ILE 103 Cb 0.01 -0.68 0.07 0.00 0.13 0.00 0.00 42.46 41.99 1bhx s ILE 103 CO 0.05 -0.33 0.65 0.00 -1.91 0.00 0.00 174.94 173.40 1bhx s ALA 104 N -1.72 -1.68 -0.02 1.50 0.00 -0.79 -2.61 121.76 116.45 1bhx s ALA 104 Ca -0.11 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.33 1bhx s ALA 104 Cb -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1bhx s ALA 104 CO 0.01 -0.35 -0.18 -0.51 0.00 0.00 0.00 175.76 174.74 1bhx s LEU 105 N -0.74 2.53 -0.10 0.00 1.43 0.17 -1.65 118.68 120.31 1bhx s LEU 105 Ca -0.08 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1bhx s LEU 105 Cb -0.02 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1bhx s LEU 105 CO 0.07 0.32 -0.14 -0.04 0.23 0.00 0.00 176.35 176.79 1bhx s MET 106 N -0.85 2.06 -0.24 1.70 -1.94 -0.42 0.13 119.30 119.75 1bhx s MET 106 Ca 0.12 -0.51 -0.21 0.00 -1.71 0.00 0.00 55.69 53.38 1bhx s MET 106 Cb -0.10 -1.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.95 1bhx s MET 106 CO 0.01 -0.06 0.64 0.21 -0.01 0.00 0.00 175.02 175.81 1bhx s LYS 107 N 0.98 4.15 0.27 2.03 2.47 -0.34 -1.79 119.74 127.50 1bhx s LYS 107 Ca -0.07 0.59 -0.29 0.00 -1.56 0.00 0.00 55.97 54.64 1bhx s LYS 107 Cb -0.15 -3.63 -0.09 0.00 -1.46 0.00 0.00 37.83 32.50 1bhx s LYS 107 CO -0.01 -0.36 1.02 -0.51 0.16 0.00 0.00 175.35 175.65 1bhx s LEU 108 N 2.34 4.57 0.46 5.43 1.43 0.16 -0.71 118.68 132.35 1bhx s LEU 108 Ca 0.27 2.10 0.13 0.00 -1.03 0.00 0.00 54.13 55.61 1bhx s LEU 108 Cb -0.16 -3.66 1.07 0.00 0.03 0.00 0.00 46.19 43.47 1bhx s LEU 108 CO 0.09 -0.02 2.06 0.50 0.23 0.00 0.00 176.35 179.21 1bhx h LYS 109 N 3.87 0.30 -3.39 1.70 3.64 -1.27 -3.43 116.57 117.99 1bhx h LYS 109 Ca -0.46 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.70 1bhx h LYS 109 Cb 1.21 -0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.68 1bhx h LYS 109 CO 0.67 0.20 -0.57 0.15 -2.27 0.00 0.00 179.45 177.63 1bhx s LYS 110 N -5.30 0.14 0.53 1.90 1.02 -1.26 -4.99 119.74 111.79 1bhx s LYS 110 Ca -0.07 0.21 -0.21 0.00 0.02 0.00 0.00 55.97 55.92 1bhx s LYS 110 Cb 0.18 0.03 -0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1bhx s LYS 110 CO 0.72 -0.04 1.11 -2.30 -0.92 0.00 0.00 175.35 173.91 1bhx n PRO 111 N 3.20 1.29 -4.05 -1.68 -0.02 -1.26 -4.92 135.00 127.57 1bhx n PRO 111 Ca -0.15 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 1bhx n PRO 111 Cb 0.58 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1bhx n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bhx s VAL 112 N -1.38 5.05 -0.02 -1.45 0.11 0.39 -5.00 120.40 118.10 1bhx s VAL 112 Ca 0.71 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.46 1bhx s VAL 112 Cb -0.45 -3.23 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 1bhx s VAL 112 CO 0.51 0.51 0.59 0.00 -3.33 0.00 0.00 175.10 173.37 1bhx s ALA 113 N -1.08 3.48 0.62 1.54 0.00 -1.26 -4.76 121.76 120.30 1bhx s ALA 113 Ca 0.18 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 1bhx s ALA 113 Cb -0.12 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1bhx s ALA 113 CO 0.08 0.15 1.04 -0.06 0.00 0.00 0.00 175.76 176.96 1bhx s PHE 114 N -0.10 3.31 0.00 0.00 0.08 -1.26 -4.88 117.98 115.12 1bhx s PHE 114 Ca 0.31 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.77 1bhx s PHE 114 Cb -0.18 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.43 1bhx s PHE 114 CO 0.17 -0.88 0.00 -1.13 -0.10 0.00 0.00 175.22 173.28 1bhx n SER 115 N -2.50 0.00 0.26 1.36 3.41 -0.56 -4.95 113.62 110.64 1bhx n SER 115 Ca 0.07 -0.69 0.13 0.00 -0.26 0.00 0.00 58.87 58.12 1bhx n SER 115 Cb 0.54 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.15 1bhx n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bhx h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -1.99 -3.14 116.42 118.64 1bhx h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bhx h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bhx h ASP 116 CO 0.00 0.14 -0.64 -1.22 -1.72 0.00 0.00 179.24 175.80 1bhx n TYR 117 N -3.46 0.00 -3.83 4.55 4.01 -1.26 -4.76 117.16 112.41 1bhx n TYR 117 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 1bhx n TYR 117 Cb 0.30 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.16 1bhx n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bhx s ILE 118 N -2.42 0.73 -0.28 -0.72 1.01 -1.19 -4.14 121.20 114.19 1bhx s ILE 118 Ca 0.10 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 1bhx s ILE 118 Cb 0.14 -0.90 0.09 0.00 0.01 0.00 0.00 42.46 41.80 1bhx s ILE 118 CO 0.61 0.19 0.77 -2.28 0.00 0.00 0.00 174.94 174.23 1bhx s HIS 119 N 1.81 -0.88 0.56 3.97 2.46 -0.67 -1.49 115.29 121.06 1bhx s HIS 119 Ca 0.03 1.85 -0.20 0.00 0.47 0.00 0.00 55.06 57.22 1bhx s HIS 119 Cb -0.14 0.49 -0.05 0.00 -0.13 0.00 0.00 32.58 32.75 1bhx s HIS 119 CO -0.07 -0.43 1.19 -1.25 -2.47 0.00 0.00 174.74 171.71 1bhx s PRO 120 N 1.19 3.18 0.32 2.88 0.04 -1.26 -2.84 135.00 138.52 1bhx s PRO 120 Ca -0.06 1.80 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1bhx s PRO 120 Cb -0.05 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1bhx s PRO 120 CO -0.13 -1.03 0.49 0.54 0.04 0.00 0.00 177.00 176.91 1bhx s VAL 121 N -1.61 4.95 0.21 -0.36 0.11 -0.61 -4.93 120.40 118.16 1bhx s VAL 121 Ca 0.74 -0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 58.97 1bhx s VAL 121 Cb -0.29 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 30.70 1bhx s VAL 121 CO 0.33 -0.42 0.58 0.00 -3.33 0.00 0.00 175.10 172.25 1bhx s LEU 123 N -2.49 4.41 0.63 0.00 1.43 -1.26 -5.06 118.68 116.35 1bhx s LEU 123 Ca 0.44 0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.09 1bhx s LEU 123 Cb -0.13 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1bhx s LEU 123 CO 0.20 0.33 1.12 -2.16 0.23 0.00 0.00 176.35 176.07 1bhx s PRO 124 N -0.87 2.91 0.38 1.29 0.04 -1.26 -5.07 135.00 132.43 1bhx s PRO 124 Ca 0.19 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1bhx s PRO 124 Cb -0.14 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1bhx s PRO 124 CO 0.08 -1.18 0.34 0.16 0.04 0.00 0.00 177.00 176.45 1bhx s ASP 125 N -2.31 5.16 0.34 6.66 1.47 -1.26 -5.02 116.67 121.70 1bhx s ASP 125 Ca 0.69 -0.63 0.07 0.00 1.18 0.00 0.00 52.55 53.86 1bhx s ASP 125 Cb -0.22 -0.75 0.76 0.00 -0.34 0.00 0.00 42.92 42.36 1bhx s ASP 125 CO 0.38 -0.51 1.86 -0.09 0.68 0.00 0.00 175.17 177.49 1bhx h ARG 126 N 1.13 0.74 -0.01 2.11 2.43 -2.06 -2.42 114.38 116.30 1bhx h ARG 126 Ca -0.43 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.50 1bhx h ARG 126 Cb 1.26 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1bhx h ARG 126 CO 0.58 0.49 -0.84 0.93 -1.51 0.00 0.00 179.97 179.61 1bhx h GLU 127 N 0.76 0.26 -1.11 0.20 3.07 -2.04 -1.95 114.58 113.78 1bhx h GLU 127 Ca 0.45 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1bhx h GLU 127 Cb 0.65 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1bhx h GLU 127 CO -0.22 0.96 0.00 2.41 -1.40 0.00 0.00 179.01 180.77 1bhx n THR 128 N -3.72 0.36 0.00 1.13 -1.04 -0.91 -2.44 114.28 107.65 1bhx n THR 128 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1bhx n THR 128 Cb 0.78 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1bhx n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bhx n ALA 129 N 0.53 0.00 0.11 2.41 0.00 -0.73 -1.52 120.51 121.31 1bhx n ALA 129 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1bhx n ALA 129 Cb 0.23 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.77 1bhx n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bhx h SER 129 N 0.00 0.03 0.02 0.00 4.64 -1.76 -3.39 113.55 113.09 1bhx h SER 129 Ca 0.00 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.93 1bhx h SER 129 Cb 0.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.01 1bhx h SER 129 CO 0.00 0.73 -2.38 0.18 -0.87 0.00 0.00 176.83 174.49 1bhx n LEU 129 N -3.70 0.97 -4.33 5.97 4.77 -0.58 -4.71 117.00 115.40 1bhx n LEU 129 Ca -0.01 -0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.56 1bhx n LEU 129 Cb 0.70 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1bhx n LEU 129 CO 0.44 0.63 1.98 0.18 -1.33 0.00 0.00 177.39 179.29 1bhx n LEU 130 N -2.93 4.63 -4.03 2.23 4.77 -1.26 -4.84 117.00 115.57 1bhx n LEU 130 Ca -0.36 -3.62 -0.17 0.00 -0.03 0.00 0.00 56.01 51.83 1bhx n LEU 130 Cb 1.10 -1.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.40 1bhx n LEU 130 CO 0.38 -0.32 -0.42 -1.10 -1.33 0.00 0.00 177.39 174.61 1bhx s GLN 131 N 4.79 0.61 0.15 3.23 -0.21 -1.26 -4.93 119.66 122.03 1bhx s GLN 131 Ca 0.57 -0.44 -0.34 0.00 0.02 0.00 0.00 55.36 55.18 1bhx s GLN 131 Cb 0.06 -0.55 -0.14 0.00 1.00 0.00 0.00 33.01 33.37 1bhx s GLN 131 CO 0.07 0.14 1.51 0.00 -2.12 0.00 0.00 175.29 174.89 1bhx n ALA 132 N 2.44 0.86 0.00 6.09 0.00 -1.26 -1.55 120.51 127.08 1bhx n ALA 132 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1bhx n ALA 132 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1bhx n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bhx n GLY 133 N 3.10 3.02 3.76 0.00 0.00 -1.26 -5.05 105.19 108.76 1bhx n GLY 133 Ca 0.17 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bhx n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bhx s TYR 134 N -2.62 3.06 0.00 1.61 1.51 -0.60 -4.99 117.35 115.33 1bhx s TYR 134 Ca 0.00 1.36 -0.06 0.00 -1.01 0.00 0.00 57.07 57.36 1bhx s TYR 134 Cb 0.00 -3.69 -0.05 0.00 -0.11 0.00 0.00 41.96 38.11 1bhx s TYR 134 CO 0.00 -1.95 0.25 0.15 -1.11 0.00 0.00 175.55 172.89 1bhx s LYS 135 N -1.51 3.55 0.43 -0.62 1.02 -1.26 -4.91 119.74 116.44 1bhx s LYS 135 Ca 0.51 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.40 1bhx s LYS 135 Cb -0.40 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1bhx s LYS 135 CO 0.51 0.66 0.07 0.20 -0.92 0.00 0.00 175.35 175.86 1bhx s GLY 136 N -1.73 2.67 -0.02 -3.33 0.00 -1.26 -5.16 107.32 98.49 1bhx s GLY 136 Ca 0.27 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1bhx s GLY 136 CO 0.16 -1.97 -0.12 -1.60 0.00 0.00 0.00 173.10 169.57 1bhx s ARG 137 N -3.79 1.10 0.07 2.90 3.52 -1.26 -5.14 118.95 116.35 1bhx s ARG 137 Ca 0.20 -0.42 0.10 0.00 -0.13 0.00 0.00 55.73 55.48 1bhx s ARG 137 Cb 0.04 -1.03 -0.03 0.00 -1.56 0.00 0.00 34.95 32.37 1bhx s ARG 137 CO 0.11 0.21 -0.26 0.08 -0.81 0.00 0.00 175.30 174.63 1bhx s VAL 138 N -0.08 2.21 0.03 7.11 1.01 -1.26 -5.14 120.40 124.28 1bhx s VAL 138 Ca 0.01 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1bhx s VAL 138 Cb -0.07 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1bhx s VAL 138 CO 0.00 0.28 -0.06 0.42 0.00 0.00 0.00 175.10 175.74 1bhx s THR 139 N -0.89 0.38 0.00 3.92 -4.23 -1.26 -5.10 115.64 108.46 1bhx s THR 139 Ca 0.13 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1bhx s THR 139 Cb -0.10 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1bhx s THR 139 CO 0.03 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1bhx n GLY 140 N 1.77 0.64 1.25 3.99 0.00 -1.26 -4.99 105.19 106.59 1bhx n GLY 140 Ca -0.21 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1bhx n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bhx n TRP 141 N -0.08 1.28 -1.46 1.61 8.01 -1.26 -4.57 117.44 120.97 1bhx n TRP 141 Ca 0.00 -0.74 -0.19 0.00 -1.31 0.00 0.00 57.50 55.26 1bhx n TRP 141 Cb 0.00 -0.31 0.14 0.00 -2.01 0.00 0.00 31.31 29.12 1bhx n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bhx n GLY 142 N 0.24 -1.59 3.58 6.99 0.00 -1.26 -4.92 105.19 108.22 1bhx n GLY 142 Ca 0.23 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.13 1bhx n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bhx n ASN 143 N -3.66 1.23 0.03 1.61 3.02 -1.26 -2.92 115.26 113.32 1bhx n ASN 143 Ca 0.10 1.16 0.12 0.00 -0.03 0.00 0.00 54.58 55.93 1bhx n ASN 143 Cb 0.37 -1.25 0.18 0.00 -0.61 0.00 0.00 39.78 38.47 1bhx n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bhx n LEU 144 N 1.61 0.61 -3.79 3.41 4.77 -1.26 -0.40 117.00 121.95 1bhx n LEU 144 Ca 0.12 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1bhx n LEU 144 Cb 0.29 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1bhx n LEU 144 CO 0.60 0.03 -0.02 -0.54 -1.33 0.00 0.00 177.39 176.13 1bhx s LYS 145 N -3.11 0.72 -0.00 3.23 -0.14 -1.26 -4.32 119.74 114.85 1bhx s LYS 145 Ca 0.08 -0.44 -0.22 0.00 -1.36 0.00 0.00 55.97 54.02 1bhx s LYS 145 Cb 0.15 0.31 -0.20 0.00 -1.68 0.00 0.00 37.83 36.41 1bhx s LYS 145 CO 0.72 -0.21 1.18 1.49 -0.76 0.00 0.00 175.35 177.77 1bhx h GLU 146 N 3.53 0.27 0.00 1.68 4.81 -2.00 -3.50 114.58 119.37 1bhx h GLU 146 Ca -0.31 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1bhx h GLU 146 Cb 1.19 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1bhx h GLU 146 CO 0.44 0.85 0.00 0.25 -0.73 0.00 0.00 179.01 179.82