#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bhn s ARG 20 N 0.00 3.74 0.06 -0.52 0.52 -1.26 -0.21 118.95 121.27 2bhn s ARG 20 Ca 0.00 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 2bhn s ARG 20 Cb 0.00 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 2bhn s ARG 20 CO 0.00 0.50 -0.08 0.14 0.02 0.00 0.00 175.30 175.88 2bhn s VAL 21 N -1.53 0.58 -0.06 3.52 -7.23 -0.39 -4.83 120.40 110.46 2bhn s VAL 21 Ca 0.37 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 2bhn s VAL 21 Cb -0.13 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 2bhn s VAL 21 CO 0.20 -0.51 0.14 -0.31 -0.31 0.00 0.00 175.10 174.32 2bhn s TYR 22 N -1.95 3.52 -0.04 2.82 1.51 -1.09 -0.62 117.35 121.51 2bhn s TYR 22 Ca -0.04 0.41 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 2bhn s TYR 22 Cb -0.06 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 2bhn s TYR 22 CO -0.01 0.67 -0.25 0.08 -1.11 0.00 0.00 175.55 174.94 2bhn s VAL 23 N -1.15 1.98 0.48 0.71 1.01 0.84 -0.92 120.40 123.35 2bhn s VAL 23 Ca 0.20 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 2bhn s VAL 23 Cb -0.12 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 2bhn s VAL 23 CO 0.11 0.56 1.06 -0.62 0.00 0.00 0.00 175.10 176.20 2bhn s ASP 24 N -0.34 6.27 0.06 3.32 -1.08 -0.96 0.68 116.67 124.62 2bhn s ASP 24 Ca 0.02 2.00 -0.21 0.00 -0.52 0.00 0.00 52.55 53.85 2bhn s ASP 24 Cb -0.12 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 38.65 2bhn s ASP 24 CO 0.02 -0.83 1.48 0.58 0.52 0.00 0.00 175.17 176.93 2bhn h VAL 25 N 1.59 1.26 0.00 1.11 2.07 -1.92 0.21 116.25 120.57 2bhn h VAL 25 Ca -0.49 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2bhn h VAL 25 Cb 1.23 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2bhn h VAL 25 CO 0.59 0.26 0.08 0.54 0.02 0.00 0.00 177.57 179.06 2bhn n ARG 26 N -4.74 0.05 -0.05 1.57 3.00 -1.26 0.29 116.66 115.53 2bhn n ARG 26 Ca -0.05 0.51 -0.11 0.00 -0.01 0.00 0.00 57.85 58.19 2bhn n ARG 26 Cb 0.22 -1.76 -0.15 0.00 0.00 0.00 0.00 32.46 30.78 2bhn n ARG 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2bhn n GLU 27 N -1.77 0.66 -0.35 5.56 4.07 0.67 -4.60 120.64 124.88 2bhn n GLU 27 Ca -0.01 0.19 0.29 0.00 -0.06 0.00 0.00 57.16 57.58 2bhn n GLU 27 Cb 0.10 -1.69 0.48 0.00 -0.06 0.00 0.00 31.44 30.26 2bhn n GLU 27 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2bhn n GLU 28 N -3.00 -0.02 0.00 5.31 4.71 0.15 -0.96 120.64 126.83 2bhn n GLU 28 Ca -0.25 0.82 0.14 0.00 -0.01 0.00 0.00 57.16 57.87 2bhn n GLU 28 Cb 1.08 -1.67 0.55 0.00 -1.01 0.00 0.00 31.44 30.39 2bhn n GLU 28 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 2bhn n ARG 29 N -3.88 1.25 -1.07 3.49 -4.01 -1.26 -4.68 116.66 106.51 2bhn n ARG 29 Ca 0.28 -0.63 -0.30 0.00 -1.04 0.00 0.00 57.85 56.16 2bhn n ARG 29 Cb 1.12 -1.49 0.24 0.00 -3.04 0.00 0.00 32.46 29.30 2bhn n ARG 29 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2bhn s SER 30 N -2.19 0.97 0.00 2.89 0.01 -0.13 -4.91 113.70 110.34 2bhn s SER 30 Ca 0.35 0.67 0.23 0.00 1.31 0.00 0.00 55.95 58.51 2bhn s SER 30 Cb 0.21 -0.95 0.99 0.00 0.21 0.00 0.00 66.02 66.47 2bhn s SER 30 CO 0.40 -4.10 1.73 -0.81 0.41 0.00 0.00 173.24 170.88 2bhn n PRO 31 N -4.75 0.04 0.06 12.44 -0.04 -1.26 -4.29 135.00 137.20 2bhn n PRO 31 Ca 0.13 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2bhn n PRO 31 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 2bhn n PRO 31 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bhn h VAL 32 N 0.00 1.05 -1.01 0.52 2.07 -1.90 -1.94 116.25 115.03 2bhn h VAL 32 Ca 0.00 -0.51 0.23 0.00 0.82 0.00 0.00 66.70 67.24 2bhn h VAL 32 Cb 0.37 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 2bhn h VAL 32 CO 0.00 0.13 0.63 -0.65 0.02 0.00 0.00 177.57 177.69 2bhn h PRO 33 N -0.36 0.53 0.07 1.57 0.11 -1.83 0.18 132.00 132.28 2bhn h PRO 33 Ca -0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2bhn h PRO 33 Cb 0.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2bhn h PRO 33 CO 0.02 0.35 -0.03 0.77 -0.21 0.00 0.00 178.00 178.90 2bhn h SER 34 N 0.55 -0.08 0.47 -2.05 0.02 -1.66 0.04 113.55 110.84 2bhn h SER 34 Ca 0.60 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.48 2bhn h SER 34 Cb 1.24 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2bhn h SER 34 CO -0.36 -0.00 -0.09 0.40 -1.14 0.00 0.00 176.83 175.64 2bhn h ILE 35 N -0.15 0.37 0.14 3.27 2.04 -0.52 -0.85 117.51 121.81 2bhn h ILE 35 Ca -0.01 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2bhn h ILE 35 Cb 0.13 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2bhn h ILE 35 CO 0.02 0.08 -0.07 -0.07 0.00 0.00 0.00 178.15 178.11 2bhn h LEU 36 N 0.00 -0.16 -0.68 1.44 3.38 0.30 -3.07 115.31 116.52 2bhn h LEU 36 Ca -0.00 -0.25 0.15 0.00 0.09 0.00 0.00 57.88 57.87 2bhn h LEU 36 Cb 0.34 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 2bhn h LEU 36 CO 0.01 0.41 0.02 -0.33 0.09 0.00 0.00 178.44 178.65 2bhn h GLU 37 N -0.99 0.13 0.00 1.13 5.08 -0.75 0.23 114.58 119.41 2bhn h GLU 37 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bhn h GLU 37 Cb 0.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bhn h GLU 37 CO 0.03 0.08 0.10 -1.13 -1.00 0.00 0.00 179.01 177.09 2bhn n SER 38 N -5.29 0.41 -0.99 1.42 3.41 -0.33 -0.45 113.62 111.80 2bhn n SER 38 Ca 0.11 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 2bhn n SER 38 Cb 0.41 -0.67 0.12 0.00 -0.26 0.00 0.00 64.21 63.81 2bhn n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bhn n LEU 39 N -2.06 3.07 0.00 1.04 4.77 0.79 -4.92 117.00 119.69 2bhn n LEU 39 Ca -0.01 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2bhn n LEU 39 Cb 0.12 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2bhn n LEU 39 CO 0.07 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2bhn n GLY 40 N 1.36 0.73 3.57 -0.72 0.00 0.41 -5.05 105.19 105.49 2bhn n GLY 40 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2bhn n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bhn s VAL 41 N -2.30 5.04 0.12 1.61 1.01 -1.04 -4.57 120.40 120.27 2bhn s VAL 41 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2bhn s VAL 41 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 2bhn s VAL 41 CO 0.00 0.31 1.23 -1.58 0.00 0.00 0.00 175.10 175.06 2bhn s GLN 42 N 1.46 4.44 -0.18 2.72 0.74 0.70 -2.58 119.66 126.96 2bhn s GLN 42 Ca 0.07 1.86 -0.02 0.00 0.05 0.00 0.00 55.36 57.31 2bhn s GLN 42 Cb -0.15 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 2bhn s GLN 42 CO 0.07 -0.22 -0.09 0.08 -0.55 0.00 0.00 175.29 174.58 2bhn s VAL 43 N 0.63 3.17 -0.19 1.34 1.01 -1.26 -1.26 120.40 123.84 2bhn s VAL 43 Ca 0.57 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2bhn s VAL 43 Cb -0.32 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.69 2bhn s VAL 43 CO 0.32 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 175.08 2bhn s ILE 44 N 1.00 2.13 -0.01 2.22 1.01 0.21 -4.95 121.20 122.81 2bhn s ILE 44 Ca -0.01 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.32 2bhn s ILE 44 Cb -0.15 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 2bhn s ILE 44 CO -0.01 0.46 1.68 -2.84 0.00 0.00 0.00 174.94 174.23 2bhn s PRO 45 N 1.27 4.19 -0.39 2.79 0.02 -1.26 -0.11 135.00 141.50 2bhn s PRO 45 Ca 0.03 2.26 0.10 0.00 0.02 0.00 0.00 61.00 63.41 2bhn s PRO 45 Cb -0.14 -3.89 0.44 0.00 0.02 0.00 0.00 34.50 30.93 2bhn s PRO 45 CO -0.12 -0.82 1.05 1.63 -0.33 0.00 0.00 177.00 178.42 2bhn n LYS 46 N 6.70 2.59 0.00 5.54 5.02 0.21 -4.87 118.16 133.36 2bhn n LYS 46 Ca 0.17 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.41 2bhn n LYS 46 Cb 0.42 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2bhn n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bhn n GLN 47 N -0.33 0.00 -2.58 1.97 -0.00 -1.26 -3.58 117.38 111.60 2bhn n GLN 47 Ca 0.28 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.85 2bhn n GLN 47 Cb 0.72 -0.29 -0.02 0.00 -0.00 0.00 0.00 30.24 30.65 2bhn n GLN 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2bhn s LEU 48 N 0.00 4.19 0.55 2.61 1.43 -1.26 -4.88 118.68 121.32 2bhn s LEU 48 Ca 0.00 1.57 0.28 0.00 -1.03 0.00 0.00 54.13 54.95 2bhn s LEU 48 Cb 0.00 -3.55 1.46 0.00 0.03 0.00 0.00 46.19 44.13 2bhn s LEU 48 CO 0.00 -0.61 1.96 -0.65 0.23 0.00 0.00 176.35 177.28 2bhn h PRO 49 N 7.51 0.00 -3.91 1.29 0.11 -2.02 -3.43 132.00 131.54 2bhn h PRO 49 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 2bhn h PRO 49 Cb 1.11 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.09 2bhn h PRO 49 CO 0.92 0.00 -0.38 -1.64 -0.21 0.00 0.00 178.00 176.69 2bhn s MET 50 N -4.86 1.00 1.68 1.05 -1.94 -1.26 -5.16 119.30 109.81 2bhn s MET 50 Ca -0.05 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 2bhn s MET 50 Cb 0.18 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.37 2bhn s MET 50 CO 0.67 -0.34 0.00 0.41 -0.01 0.00 0.00 175.02 175.75 2bhn n GLY 51 N -0.13 -1.29 0.38 -0.03 0.00 -1.26 -4.82 105.19 98.03 2bhn n GLY 51 Ca -0.10 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 2bhn n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bhn n ASP 52 N -1.68 1.53 -4.17 1.61 8.00 0.24 -4.78 116.55 117.29 2bhn n ASP 52 Ca 0.00 0.15 -0.24 0.00 0.71 0.00 0.00 54.79 55.42 2bhn n ASP 52 Cb 0.00 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 40.49 2bhn n ASP 52 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bhn s TYR 53 N -2.32 1.53 -0.46 1.24 1.51 -0.78 -2.27 117.35 115.80 2bhn s TYR 53 Ca -0.24 -0.32 -0.08 0.00 -1.01 0.00 0.00 57.07 55.42 2bhn s TYR 53 Cb 0.09 -0.96 0.12 0.00 -0.11 0.00 0.00 41.96 41.10 2bhn s TYR 53 CO 0.32 0.01 0.32 -1.17 -1.11 0.00 0.00 175.55 173.93 2bhn s LEU 54 N -0.69 5.62 0.52 -1.29 2.96 -0.10 -1.61 118.68 124.09 2bhn s LEU 54 Ca 0.06 -1.90 0.25 0.00 -0.22 0.00 0.00 54.13 52.32 2bhn s LEU 54 Cb -0.07 -1.99 1.43 0.00 0.50 0.00 0.00 46.19 46.06 2bhn s LEU 54 CO 0.00 -0.67 2.09 0.58 -1.32 0.00 0.00 176.35 177.03 2bhn h VAL 55 N 6.16 0.66 0.00 1.68 2.07 -1.80 -2.89 116.25 122.13 2bhn h VAL 55 Ca -0.20 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2bhn h VAL 55 Cb 1.07 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2bhn h VAL 55 CO 0.84 0.11 0.00 -1.20 0.02 0.00 0.00 177.57 177.34 2bhn n SER 56 N -3.79 0.00 0.00 0.57 7.64 -1.20 -4.80 113.62 112.04 2bhn n SER 56 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2bhn n SER 56 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2bhn n SER 56 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2bhn n ASP 57 N 0.00 0.00 0.00 6.43 5.75 -1.26 -4.83 116.55 122.64 2bhn n ASP 57 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 2bhn n ASP 57 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2bhn n ASP 57 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2bhn n SER 58 N 0.00 0.00 -4.34 -1.12 7.64 -1.26 -4.83 113.62 109.71 2bhn n SER 58 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 2bhn n SER 58 Cb 0.12 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.20 2bhn n SER 58 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2bhn s ILE 59 N -0.83 4.24 0.14 0.44 1.01 -1.26 0.82 121.20 125.76 2bhn s ILE 59 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.78 2bhn s ILE 59 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2bhn s ILE 59 CO 0.00 -0.19 -0.08 -0.51 0.00 0.00 0.00 174.94 174.16 2bhn s ILE 60 N 1.49 3.39 -0.16 2.92 2.07 -0.32 -2.54 121.20 128.06 2bhn s ILE 60 Ca 0.01 -1.41 0.01 0.00 -1.41 0.00 0.00 60.65 57.84 2bhn s ILE 60 Cb -0.19 -2.64 0.02 0.00 0.13 0.00 0.00 42.46 39.78 2bhn s ILE 60 CO 0.05 0.00 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.23 2bhn s VAL 61 N -1.46 1.73 -0.16 4.00 1.01 -0.63 -1.58 120.40 123.30 2bhn s VAL 61 Ca 0.24 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 2bhn s VAL 61 Cb -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2bhn s VAL 61 CO 0.15 0.48 0.38 -0.70 0.00 0.00 0.00 175.10 175.42 2bhn s GLU 62 N 1.42 4.26 -0.14 2.72 2.56 0.02 0.79 118.70 130.33 2bhn s GLU 62 Ca 0.05 0.24 -0.06 0.00 0.00 0.00 0.00 54.97 55.21 2bhn s GLU 62 Cb -0.13 -3.46 -0.04 0.00 2.00 0.00 0.00 34.13 32.50 2bhn s GLU 62 CO -0.11 0.13 0.05 0.50 -0.56 0.00 0.00 175.26 175.27 2bhn s ARG 63 N 0.76 3.59 -0.09 4.30 3.52 -1.26 -0.52 118.95 129.24 2bhn s ARG 63 Ca 0.20 -0.33 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2bhn s ARG 63 Cb -0.14 -3.07 0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2bhn s ARG 63 CO 0.07 0.48 0.21 0.15 -0.81 0.00 0.00 175.30 175.40 2bhn s LYS 64 N -0.23 0.15 0.42 5.12 1.02 0.16 -4.95 119.74 121.44 2bhn s LYS 64 Ca 0.08 0.49 -0.25 0.00 0.02 0.00 0.00 55.97 56.31 2bhn s LYS 64 Cb -0.12 -0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 36.96 2bhn s LYS 64 CO 0.02 -0.18 1.21 0.95 -0.92 0.00 0.00 175.35 176.42 2bhn s THR 65 N 1.36 2.96 0.55 2.17 -4.23 -1.26 -0.72 115.64 116.46 2bhn s THR 65 Ca -0.08 0.79 0.23 0.00 -1.18 0.00 0.00 61.69 61.46 2bhn s THR 65 Cb -0.11 -3.44 0.34 0.00 1.34 0.00 0.00 72.50 70.63 2bhn s THR 65 CO -0.08 0.06 2.10 0.77 -0.54 0.00 0.00 174.62 176.93 2bhn h SER 66 N 2.43 0.00 0.11 3.99 4.64 -1.45 0.48 113.55 123.74 2bhn h SER 66 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bhn h SER 66 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2bhn h SER 66 CO 0.62 0.00 -0.30 0.28 -0.87 0.00 0.00 176.83 176.56 2bhn h SER 67 N 0.00 -0.88 -0.64 4.97 0.02 -1.90 -0.16 113.55 114.96 2bhn h SER 67 Ca 0.10 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.22 2bhn h SER 67 Cb 0.44 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 2bhn h SER 67 CO -0.00 -0.32 0.43 0.44 -1.14 0.00 0.00 176.83 176.23 2bhn h ASP 68 N -0.45 0.50 0.21 3.07 3.45 -0.55 0.23 116.42 122.88 2bhn h ASP 68 Ca -0.01 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2bhn h ASP 68 Cb 0.44 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 2bhn h ASP 68 CO -0.14 0.32 -0.16 0.15 -1.57 0.00 0.00 179.24 177.84 2bhn h PHE 69 N 0.57 -0.41 0.58 4.55 3.57 -0.53 -1.22 116.94 124.04 2bhn h PHE 69 Ca 0.29 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2bhn h PHE 69 Cb 0.39 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2bhn h PHE 69 CO -0.00 -0.24 -0.33 0.00 -2.23 0.00 0.00 178.31 175.51 2bhn h ALA 70 N 0.40 -1.18 -0.78 2.41 0.00 0.13 0.41 119.26 120.64 2bhn h ALA 70 Ca -0.01 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.90 2bhn h ALA 70 Cb 0.33 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 18.41 2bhn h ALA 70 CO -0.01 -1.14 0.11 1.57 0.00 0.00 0.00 179.25 179.78 2bhn h LYS 71 N -0.84 0.17 0.00 0.00 5.09 -1.16 -0.88 116.57 118.94 2bhn h LYS 71 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.65 2bhn h LYS 71 Cb 0.67 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.96 2bhn h LYS 71 CO 0.10 0.11 0.00 0.77 -2.09 0.00 0.00 179.45 178.34 2bhn h SER 72 N 0.17 0.00 0.46 7.07 0.02 -0.95 -3.16 113.55 117.17 2bhn h SER 72 Ca 0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 2bhn h SER 72 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2bhn h SER 72 CO -0.62 0.00 -0.22 0.25 -1.14 0.00 0.00 176.83 175.10 2bhn h LEU 73 N 0.00 -0.53 -2.74 5.07 5.85 0.56 0.10 115.31 123.62 2bhn h LEU 73 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2bhn h LEU 73 Cb 0.59 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2bhn h LEU 73 CO 0.00 -0.19 0.00 0.49 -0.34 0.00 0.00 178.44 178.40 2bhn n PHE 74 N -5.26 0.00 -0.64 1.25 3.01 -1.18 -2.81 117.46 111.83 2bhn n PHE 74 Ca -0.11 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.64 2bhn n PHE 74 Cb 0.30 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 2bhn n PHE 74 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2bhn n ASP 75 N 1.22 0.05 0.00 4.37 8.00 -1.18 -4.98 116.55 124.03 2bhn n ASP 75 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.80 2bhn n ASP 75 Cb 0.43 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2bhn n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bhn n GLY 76 N 0.02 1.33 0.55 0.44 0.00 -1.12 -4.73 105.19 101.68 2bhn n GLY 76 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.42 2bhn n GLY 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2bhn h ARG 77 N 0.00 0.07 -0.14 1.61 -0.00 -1.83 0.13 114.38 114.22 2bhn h ARG 77 Ca 0.00 -0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.78 2bhn h ARG 77 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.96 2bhn h ARG 77 CO 0.00 0.04 -0.72 1.25 -0.00 0.00 0.00 179.97 180.55 2bhn h LEU 78 N 0.07 0.72 0.02 0.08 5.85 -1.23 -1.95 115.31 118.87 2bhn h LEU 78 Ca 0.77 -0.46 -0.29 0.00 0.84 0.00 0.00 57.88 58.74 2bhn h LEU 78 Cb 2.76 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 43.53 2bhn h LEU 78 CO -0.18 1.23 -1.65 -0.26 -0.34 0.00 0.00 178.44 177.23 2bhn h PHE 79 N 0.43 0.07 0.10 1.25 -1.00 -1.32 -0.73 116.94 115.73 2bhn h PHE 79 Ca -0.03 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.72 2bhn h PHE 79 Cb 1.32 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.83 2bhn h PHE 79 CO 0.06 1.10 -0.34 0.93 -1.61 0.00 0.00 178.31 178.46 2bhn h GLU 80 N 0.01 -0.53 0.43 1.51 5.08 -0.88 -0.35 114.58 119.85 2bhn h GLU 80 Ca -0.27 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2bhn h GLU 80 Cb 1.99 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.36 2bhn h GLU 80 CO 0.09 -0.35 -0.23 0.37 -1.00 0.00 0.00 179.01 177.89 2bhn h GLN 81 N -0.55 -0.58 0.00 2.33 4.15 -1.43 -2.75 115.11 116.28 2bhn h GLN 81 Ca 0.03 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2bhn h GLN 81 Cb 0.59 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2bhn h GLN 81 CO -0.21 -0.39 0.00 0.00 -1.93 0.00 0.00 178.83 176.30 2bhn n ALA 82 N -2.38 -0.03 -0.15 3.38 0.00 -0.28 0.28 120.51 121.33 2bhn n ALA 82 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2bhn n ALA 82 Cb 0.26 0.42 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 2bhn n ALA 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bhn h SER 83 N 0.00 -1.43 -0.91 0.00 4.64 -1.17 0.22 113.55 114.91 2bhn h SER 83 Ca 0.00 0.23 0.16 0.00 -0.47 0.00 0.00 61.79 61.71 2bhn h SER 83 Cb 0.00 0.64 -0.10 0.00 -0.31 0.00 0.00 62.40 62.63 2bhn h SER 83 CO 0.00 -0.35 0.49 0.03 -0.87 0.00 0.00 176.83 176.13 2bhn h ARG 84 N -0.29 0.64 -0.70 4.77 -0.00 -0.93 0.67 114.38 118.54 2bhn h ARG 84 Ca 0.15 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.57 2bhn h ARG 84 Cb 0.57 -0.14 -0.03 0.00 0.00 0.00 0.00 29.97 30.37 2bhn h ARG 84 CO -0.61 0.42 0.34 -0.07 0.00 0.00 0.00 179.97 180.05 2bhn h LEU 85 N 0.66 0.91 -1.22 3.04 3.38 0.24 -2.41 115.31 119.92 2bhn h LEU 85 Ca 0.51 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 2bhn h LEU 85 Cb 0.75 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2bhn h LEU 85 CO -0.38 0.79 -0.32 0.00 0.09 0.00 0.00 178.44 178.62 2bhn h ALA 86 N 1.16 1.14 -0.16 1.53 0.00 0.32 -2.72 119.26 120.53 2bhn h ALA 86 Ca 0.24 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2bhn h ALA 86 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bhn h ALA 86 CO -0.03 0.40 -0.35 1.49 0.00 0.00 0.00 179.25 180.75 2bhn h GLU 87 N 0.00 0.33 0.00 0.00 4.81 -0.32 -3.33 114.58 116.07 2bhn h GLU 87 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2bhn h GLU 87 Cb 0.72 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2bhn h GLU 87 CO 0.04 0.64 -1.35 0.72 -0.73 0.00 0.00 179.01 178.33 2bhn n HIS 88 N -4.07 0.00 -4.64 0.92 8.25 -1.18 -4.99 115.22 109.51 2bhn n HIS 88 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 2bhn n HIS 88 Cb 0.45 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 31.23 2bhn n HIS 88 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2bhn s TYR 89 N -2.57 2.11 0.24 4.41 1.51 -1.03 -5.00 117.35 117.03 2bhn s TYR 89 Ca -0.03 -0.40 0.17 0.00 -1.01 0.00 0.00 57.07 55.81 2bhn s TYR 89 Cb 0.06 -1.22 0.70 0.00 -0.11 0.00 0.00 41.96 41.39 2bhn s TYR 89 CO 0.36 0.17 1.76 1.49 -1.11 0.00 0.00 175.55 178.23 2bhn h GLU 90 N 4.52 0.00 -3.25 -0.62 4.81 -1.76 -3.42 114.58 114.85 2bhn h GLU 90 Ca -0.46 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.21 2bhn h GLU 90 Cb 1.16 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.14 2bhn h GLU 90 CO 0.42 0.39 -0.77 0.99 -0.73 0.00 0.00 179.01 179.32 2bhn s THR 91 N -3.76 0.48 -0.20 0.32 2.01 0.24 -5.01 115.64 109.73 2bhn s THR 91 Ca -0.01 -1.09 -0.08 0.00 0.31 0.00 0.00 61.69 60.82 2bhn s THR 91 Cb 0.12 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2bhn s THR 91 CO 0.70 -0.67 0.08 -0.69 -0.69 0.00 0.00 174.62 173.34 2bhn s VAL 92 N 1.82 4.79 -0.21 3.82 1.01 -1.26 -1.17 120.40 129.20 2bhn s VAL 92 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2bhn s VAL 92 Cb -0.17 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 2bhn s VAL 92 CO -0.29 0.43 -0.08 -0.36 0.00 0.00 0.00 175.10 174.80 2bhn s PHE 93 N 0.65 2.91 -0.27 5.22 0.40 -0.62 -0.95 117.98 125.33 2bhn s PHE 93 Ca 0.04 -1.06 -0.10 0.00 -0.60 0.00 0.00 56.93 55.21 2bhn s PHE 93 Cb -0.13 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 2bhn s PHE 93 CO 0.01 -0.58 0.16 0.42 0.70 0.00 0.00 175.22 175.93 2bhn s ILE 94 N 1.36 5.09 -0.28 0.64 1.01 0.23 -0.80 121.20 128.45 2bhn s ILE 94 Ca 0.04 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 2bhn s ILE 94 Cb -0.14 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2bhn s ILE 94 CO -0.05 0.29 0.56 -0.63 0.00 0.00 0.00 174.94 175.11 2bhn s ILE 95 N 1.60 5.02 -0.39 2.92 1.01 0.32 -0.80 121.20 130.89 2bhn s ILE 95 Ca 0.07 0.83 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 2bhn s ILE 95 Cb -0.15 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2bhn s ILE 95 CO 0.08 -0.02 0.23 -0.69 0.00 0.00 0.00 174.94 174.54 2bhn s VAL 96 N 2.42 4.66 -0.10 2.92 1.01 0.25 -0.67 120.40 130.90 2bhn s VAL 96 Ca 0.22 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 2bhn s VAL 96 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2bhn s VAL 96 CO 0.10 -0.28 0.30 -0.70 0.00 0.00 0.00 175.10 174.52 2bhn s GLU 97 N 1.56 3.96 1.36 2.72 2.12 0.10 -0.15 118.70 130.37 2bhn s GLU 97 Ca 0.02 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.51 2bhn s GLU 97 Cb -0.20 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.89 2bhn s GLU 97 CO 0.07 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 2bhn n GLY 98 N 2.56 -1.73 3.72 -1.50 0.00 0.59 -1.21 105.19 107.62 2bhn n GLY 98 Ca -0.14 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2bhn n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bhn s PRO 99 N 0.00 4.28 0.39 1.61 0.02 -1.26 -4.68 135.00 135.36 2bhn s PRO 99 Ca 0.00 2.17 0.23 0.00 0.02 0.00 0.00 61.00 63.42 2bhn s PRO 99 Cb 0.00 -3.22 1.34 0.00 0.02 0.00 0.00 34.50 32.64 2bhn s PRO 99 CO 0.00 -0.50 1.60 -1.35 -0.33 0.00 0.00 177.00 176.43 2bhn h PRO 100 N 6.82 0.07 -3.51 5.54 0.11 -1.92 -3.10 132.00 136.01 2bhn h PRO 100 Ca -0.42 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 2bhn h PRO 100 Cb 1.21 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.90 2bhn h PRO 100 CO 0.88 0.05 -0.76 0.08 -0.21 0.00 0.00 178.00 178.04 2bhn s VAL 101 N -5.47 0.76 0.88 3.15 1.01 -1.26 -5.00 120.40 114.47 2bhn s VAL 101 Ca -0.09 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 60.54 2bhn s VAL 101 Cb 0.32 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2bhn s VAL 101 CO 0.80 -0.59 0.29 -2.65 0.00 0.00 0.00 175.10 172.94 2bhn n PRO 102 N 4.91 -0.07 0.01 2.72 -0.02 -1.17 -4.76 135.00 136.62 2bhn n PRO 102 Ca -0.04 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 2bhn n PRO 102 Cb 0.43 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 2bhn n PRO 102 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2bhn h ARG 103 N -1.10 -0.12 -0.25 -0.52 -0.00 -1.98 -2.48 114.38 107.93 2bhn h ARG 103 Ca -0.44 0.01 0.07 0.00 -0.00 0.00 0.00 59.98 59.62 2bhn h ARG 103 Cb 1.31 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 31.29 2bhn h ARG 103 CO 0.36 -0.08 0.21 0.07 -0.00 0.00 0.00 179.97 180.53 2bhn h ARG 104 N -0.12 0.00 -0.01 0.08 -0.00 -2.03 -2.67 114.38 109.62 2bhn h ARG 104 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2bhn h ARG 104 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.19 2bhn h ARG 104 CO -0.16 0.00 -0.47 0.66 -0.00 0.00 0.00 179.97 180.00 2bhn n TYR 105 N -4.14 0.00 -1.51 4.08 4.02 -0.96 -4.89 117.16 113.76 2bhn n TYR 105 Ca 0.03 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.45 2bhn n TYR 105 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.63 2bhn n TYR 105 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2bhn n ARG 106 N -0.11 1.46 0.00 -0.72 1.74 -1.01 -2.69 116.66 115.33 2bhn n ARG 106 Ca 0.08 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 2bhn n ARG 106 Cb 0.44 -2.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 2bhn n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bhn n GLY 107 N 6.20 -0.67 2.14 -0.13 0.00 -1.26 -4.87 105.19 106.60 2bhn n GLY 107 Ca 0.36 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 2bhn n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bhn n ARG 108 N 0.00 0.82 0.01 1.61 1.74 -1.10 -4.32 116.66 115.42 2bhn n ARG 108 Ca 0.00 -0.35 -0.18 0.00 -0.77 0.00 0.00 57.85 56.55 2bhn n ARG 108 Cb 0.00 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.70 2bhn n ARG 108 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bhn h GLU 109 N 4.09 0.30 -0.05 5.56 4.39 -1.90 -2.98 114.58 124.00 2bhn h GLU 109 Ca 0.07 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.39 2bhn h GLU 109 Cb 0.65 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2bhn h GLU 109 CO 0.28 1.12 0.10 0.07 -1.16 0.00 0.00 179.01 179.42 2bhn h ARG 110 N -0.33 0.00 -0.19 2.33 -0.00 -1.95 -2.17 114.38 112.06 2bhn h ARG 110 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.68 2bhn h ARG 110 Cb 1.36 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.33 2bhn h ARG 110 CO 0.11 0.00 -0.70 1.03 -0.00 0.00 0.00 179.97 180.41 2bhn h SER 111 N 0.00 0.91 -0.01 0.08 0.87 -1.85 -2.22 113.55 111.34 2bhn h SER 111 Ca 0.02 -0.56 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 2bhn h SER 111 Cb 0.23 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2bhn h SER 111 CO -0.00 1.35 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.55 2bhn h LEU 112 N 0.56 0.05 -0.62 2.23 3.38 -1.29 -1.82 115.31 117.80 2bhn h LEU 112 Ca -0.03 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 2bhn h LEU 112 Cb 1.32 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2bhn h LEU 112 CO 0.15 0.72 0.31 1.88 0.09 0.00 0.00 178.44 181.58 2bhn h TYR 113 N -0.63 0.88 0.24 1.13 -1.99 -1.55 -1.01 116.97 114.04 2bhn h TYR 113 Ca -0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2bhn h TYR 113 Cb 0.72 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.15 2bhn h TYR 113 CO 0.16 0.66 -0.45 0.00 -0.00 0.00 0.00 178.16 178.54 2bhn h ALA 114 N 1.13 -1.00 -0.87 3.88 0.00 -1.43 -0.85 119.26 120.13 2bhn h ALA 114 Ca 0.21 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.18 2bhn h ALA 114 Cb 0.10 0.77 -0.16 0.00 0.00 0.00 0.00 17.79 18.50 2bhn h ALA 114 CO -0.03 -1.08 -0.18 0.00 0.00 0.00 0.00 179.25 177.96 2bhn h ALA 115 N -0.83 0.63 -0.94 0.00 0.00 -1.10 0.39 119.26 117.42 2bhn h ALA 115 Ca -0.03 0.33 0.18 0.00 0.00 0.00 0.00 54.91 55.39 2bhn h ALA 115 Cb 0.69 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 2bhn h ALA 115 CO -0.17 -0.41 0.60 0.52 0.00 0.00 0.00 179.25 179.79 2bhn h MET 116 N 0.01 0.61 -0.10 0.00 2.07 -0.38 -1.17 114.93 115.97 2bhn h MET 116 Ca 0.43 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.91 2bhn h MET 116 Cb 0.68 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 2bhn h MET 116 CO -0.88 0.41 -0.37 0.00 1.07 0.00 0.00 176.91 177.13 2bhn h ALA 117 N 1.61 0.18 -0.31 6.32 0.00 0.11 -2.97 119.26 124.21 2bhn h ALA 117 Ca 0.50 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2bhn h ALA 117 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2bhn h ALA 117 CO -0.25 0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.41 2bhn h ALA 118 N 0.48 0.40 -0.44 0.00 0.00 -0.71 -1.28 119.26 117.72 2bhn h ALA 118 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2bhn h ALA 118 Cb 1.01 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2bhn h ALA 118 CO 0.08 -0.03 0.15 -0.07 0.00 0.00 0.00 179.25 179.38 2bhn h LEU 119 N 0.37 0.15 -1.30 0.00 3.38 -1.37 0.48 115.31 117.02 2bhn h LEU 119 Ca 0.11 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2bhn h LEU 119 Cb 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2bhn h LEU 119 CO -0.01 0.12 0.15 1.56 0.09 0.00 0.00 178.44 180.35 2bhn h GLN 120 N 0.32 0.63 0.04 1.13 1.08 -1.23 -1.11 115.11 115.97 2bhn h GLN 120 Ca 0.20 -0.09 -0.38 0.00 -1.45 0.00 0.00 58.65 56.93 2bhn h GLN 120 Cb 0.20 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 2bhn h GLN 120 CO -0.21 0.54 -2.31 1.28 -0.95 0.00 0.00 178.83 177.18 2bhn n LEU 121 N -4.35 2.76 -0.02 1.46 4.77 -0.54 -2.79 117.00 118.30 2bhn n LEU 121 Ca 0.03 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2bhn n LEU 121 Cb 0.17 -0.92 -0.12 0.00 -2.33 0.00 0.00 43.42 40.21 2bhn n LEU 121 CO 0.38 0.89 -0.62 0.47 -1.33 0.00 0.00 177.39 177.18 2bhn n ASP 122 N -3.31 0.51 -0.08 -1.43 8.00 0.16 -4.00 116.55 116.39 2bhn n ASP 122 Ca -0.41 0.23 0.04 0.00 0.71 0.00 0.00 54.79 55.36 2bhn n ASP 122 Cb 1.01 0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 42.71 2bhn n ASP 122 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2bhn n TYR 123 N -2.78 0.00 -3.24 1.24 4.02 -0.93 -4.98 117.16 110.48 2bhn n TYR 123 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.50 2bhn n TYR 123 Cb 0.91 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.24 2bhn n TYR 123 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bhn n GLY 124 N 1.02 -0.49 3.87 2.72 0.00 -0.82 -4.90 105.19 106.59 2bhn n GLY 124 Ca 0.02 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2bhn n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bhn s ILE 125 N -2.97 4.85 -0.22 -0.61 1.01 -0.48 -4.64 121.20 118.14 2bhn s ILE 125 Ca 0.36 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.59 2bhn s ILE 125 Cb -0.18 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.67 2bhn s ILE 125 CO 0.44 -0.22 -0.13 -0.13 0.00 0.00 0.00 174.94 174.91 2bhn s ARG 126 N -3.14 2.76 -0.05 2.79 0.52 -0.13 -3.71 118.95 117.99 2bhn s ARG 126 Ca 0.49 -1.01 -0.19 0.00 -0.52 0.00 0.00 55.73 54.51 2bhn s ARG 126 Cb -0.11 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 2bhn s ARG 126 CO 0.23 -0.36 0.52 -0.51 0.02 0.00 0.00 175.30 175.20 2bhn s LEU 127 N 1.25 4.37 -0.04 2.53 1.43 -1.26 0.78 118.68 127.74 2bhn s LEU 127 Ca -0.00 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 2bhn s LEU 127 Cb -0.16 -2.78 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 2bhn s LEU 127 CO -0.08 0.09 -0.18 -0.04 0.23 0.00 0.00 176.35 176.37 2bhn s MET 128 N 0.03 1.81 -0.26 1.70 -1.94 0.02 -4.94 119.30 115.73 2bhn s MET 128 Ca 0.28 -0.62 -0.09 0.00 -1.71 0.00 0.00 55.69 53.54 2bhn s MET 128 Cb -0.17 -1.58 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 2bhn s MET 128 CO 0.14 0.26 0.13 1.21 -0.01 0.00 0.00 175.02 176.74 2bhn s ASN 129 N 0.01 5.65 0.28 3.03 3.84 -1.26 0.87 114.94 127.36 2bhn s ASN 129 Ca -0.03 -0.07 0.07 0.00 0.21 0.00 0.00 52.86 53.04 2bhn s ASN 129 Cb -0.11 -2.03 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 2bhn s ASN 129 CO 0.02 -0.01 0.30 0.42 -2.79 0.00 0.00 177.10 175.04 2bhn s THR 130 N 1.51 4.33 -0.86 -5.21 -4.23 0.79 -4.94 115.64 107.03 2bhn s THR 130 Ca 0.06 -1.23 0.24 0.00 -1.18 0.00 0.00 61.69 59.58 2bhn s THR 130 Cb -0.15 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 2bhn s THR 130 CO 0.07 -0.27 1.31 0.23 -0.54 0.00 0.00 174.62 175.42 2bhn n MET 131 N -1.36 0.11 -2.92 3.99 0.00 -1.26 -0.30 117.12 115.38 2bhn n MET 131 Ca -0.05 0.02 0.01 0.00 0.00 0.00 0.00 57.70 57.67 2bhn n MET 131 Cb 0.58 -1.55 0.01 0.00 0.00 0.00 0.00 33.22 32.26 2bhn n MET 131 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2bhn n ASP 132 N -1.70 -0.71 -0.10 7.83 3.85 -1.26 -3.85 116.55 120.61 2bhn n ASP 132 Ca 0.04 -1.22 -0.06 0.00 -0.71 0.00 0.00 54.79 52.84 2bhn n ASP 132 Cb 0.37 1.12 0.01 0.00 -1.35 0.00 0.00 41.12 41.27 2bhn n ASP 132 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 2bhn h PRO 133 N 0.00 0.23 -0.21 0.11 0.11 -1.99 -2.11 132.00 128.15 2bhn h PRO 133 Ca -0.12 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.03 2bhn h PRO 133 Cb 0.63 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.61 2bhn h PRO 133 CO 0.17 0.16 -0.31 0.87 -0.21 0.00 0.00 178.00 178.68 2bhn h LYS 134 N 0.24 -0.33 -0.89 1.05 6.56 -1.97 0.32 116.57 121.56 2bhn h LYS 134 Ca 0.16 0.02 0.17 0.00 -1.06 0.00 0.00 60.65 59.94 2bhn h LYS 134 Cb 0.15 0.07 -0.16 0.00 -0.57 0.00 0.00 32.23 31.72 2bhn h LYS 134 CO -0.18 -0.22 -0.27 0.78 -2.06 0.00 0.00 179.45 177.51 2bhn h GLY 135 N -0.34 0.47 1.10 3.86 0.00 -1.93 1.09 103.07 107.32 2bhn h GLY 135 Ca 0.12 0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.64 2bhn h GLY 135 CO -0.40 -0.30 -0.45 -0.84 0.00 0.00 0.00 176.54 174.55 2bhn h THR 136 N -0.02 1.28 0.13 4.70 2.02 -0.44 -1.72 112.91 118.86 2bhn h THR 136 Ca 0.40 -1.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2bhn h THR 136 Cb 0.64 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2bhn h THR 136 CO -0.92 0.53 -0.06 0.00 0.37 0.00 0.00 175.52 175.45 2bhn h ALA 137 N 0.71 -0.17 -0.72 6.16 0.00 0.91 -1.43 119.26 124.70 2bhn h ALA 137 Ca 0.03 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2bhn h ALA 137 Cb 1.05 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2bhn h ALA 137 CO 0.10 -0.58 -0.21 -0.07 0.00 0.00 0.00 179.25 178.49 2bhn h LEU 138 N -0.20 -0.76 -0.57 0.00 3.38 0.13 0.23 115.31 117.53 2bhn h LEU 138 Ca -0.02 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2bhn h LEU 138 Cb 0.15 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2bhn h LEU 138 CO 0.03 -0.25 0.09 0.58 0.09 0.00 0.00 178.44 178.98 2bhn h VAL 139 N -0.02 1.26 -0.41 1.22 2.07 -1.02 -1.73 116.25 117.62 2bhn h VAL 139 Ca 0.34 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 2bhn h VAL 139 Cb 0.54 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2bhn h VAL 139 CO -0.75 0.36 -0.16 0.40 0.02 0.00 0.00 177.57 177.44 2bhn h ILE 140 N 0.84 1.28 -0.62 4.57 2.04 -0.14 -0.27 117.51 125.21 2bhn h ILE 140 Ca 0.17 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 64.81 2bhn h ILE 140 Cb 0.41 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 2bhn h ILE 140 CO 0.01 0.43 0.32 -0.08 0.00 0.00 0.00 178.15 178.84 2bhn h GLU 141 N 0.64 0.58 0.17 2.37 4.81 -0.46 -0.29 114.58 122.42 2bhn h GLU 141 Ca 0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2bhn h GLU 141 Cb 0.70 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2bhn h GLU 141 CO 0.05 0.39 -0.15 1.03 -0.73 0.00 0.00 179.01 179.60 2bhn h SER 142 N 0.60 -0.39 -0.83 1.04 0.87 -1.03 -1.31 113.55 112.49 2bhn h SER 142 Ca 0.28 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.98 2bhn h SER 142 Cb 0.20 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.21 2bhn h SER 142 CO -0.19 -0.23 0.46 -0.07 -0.53 0.00 0.00 176.83 176.27 2bhn h LEU 143 N -0.34 0.64 -0.26 2.23 3.38 -0.79 0.22 115.31 120.38 2bhn h LEU 143 Ca -0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2bhn h LEU 143 Cb 0.32 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2bhn h LEU 143 CO -0.02 0.34 -0.31 0.00 0.09 0.00 0.00 178.44 178.54 2bhn h ALA 144 N 1.48 -0.25 -0.35 1.53 0.00 -0.74 -1.30 119.26 119.62 2bhn h ALA 144 Ca 0.41 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.25 2bhn h ALA 144 Cb 0.44 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2bhn h ALA 144 CO -0.28 -0.74 -0.31 0.00 0.00 0.00 0.00 179.25 177.92 2bhn h ARG 145 N -0.31 0.84 0.00 0.00 3.08 -0.27 -2.73 114.38 114.99 2bhn h ARG 145 Ca 0.13 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 2bhn h ARG 145 Cb 0.53 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2bhn h ARG 145 CO -0.44 1.07 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.28 2bhn h LEU 146 N 0.63 0.00 0.00 3.04 3.38 -0.42 -3.17 115.31 118.76 2bhn h LEU 146 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2bhn h LEU 146 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2bhn h LEU 146 CO 0.08 0.18 -0.36 -1.28 0.09 0.00 0.00 178.44 177.15 2bhn h SER 147 N 0.00 0.00 -0.25 -0.43 0.87 -1.13 -3.36 113.55 109.25 2bhn h SER 147 Ca -0.00 -0.58 -0.65 0.00 -1.23 0.00 0.00 61.79 59.33 2bhn h SER 147 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2bhn h SER 147 CO 0.02 1.00 3.28 0.41 -0.53 0.00 0.00 176.83 181.00 2bhn n THR 148 N -4.60 4.43 0.00 2.23 -1.04 -1.04 -5.12 114.28 109.13 2bhn n THR 148 Ca -0.13 -2.88 0.00 0.00 -2.04 0.00 0.00 64.05 58.99 2bhn n THR 148 Cb 0.41 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 2bhn n THR 148 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2bhn n ARG 149 N 3.09 0.00 -2.93 -2.82 0.63 -1.24 -4.91 116.66 108.48 2bhn n ARG 149 Ca 0.73 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.53 2bhn n ARG 149 Cb 0.28 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.18 2bhn n ARG 149 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2bhn n ARG 162 N -1.68 0.61 -0.01 -0.14 5.12 -1.26 -5.16 116.66 114.15 2bhn n ARG 162 Ca 0.00 -2.32 0.22 0.00 -1.93 0.00 0.00 57.85 53.82 2bhn n ARG 162 Cb 0.00 -1.45 0.72 0.00 -1.16 0.00 0.00 32.46 30.57 2bhn n ARG 162 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2bhn h LEU 163 N 4.53 0.00 -0.27 0.55 3.38 -2.09 1.18 115.31 122.59 2bhn h LEU 163 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bhn h LEU 163 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2bhn h LEU 163 CO 0.27 0.00 0.12 -0.24 0.09 0.00 0.00 178.44 178.68 2bhn n SER 164 N -4.15 0.11 0.12 -0.43 2.88 -1.26 0.31 113.62 111.19 2bhn n SER 164 Ca 0.11 0.45 0.10 0.00 -1.33 0.00 0.00 58.87 58.20 2bhn n SER 164 Cb 0.68 -0.45 0.46 0.00 -0.75 0.00 0.00 64.21 64.15 2bhn n SER 164 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2bhn n ASP 165 N -1.57 0.50 0.11 -3.46 10.43 0.41 -3.14 116.55 119.82 2bhn n ASP 165 Ca -0.00 0.67 -0.22 0.00 2.57 0.00 0.00 54.79 57.80 2bhn n ASP 165 Cb 0.13 -0.75 -0.14 0.00 1.84 0.00 0.00 41.12 42.20 2bhn n ASP 165 CO 0.00 0.00 0.00 1.62 -1.07 0.00 0.00 177.20 177.75 2bhn h VAL 166 N 0.00 1.32 -0.45 2.53 3.04 -0.33 -3.18 116.25 119.18 2bhn h VAL 166 Ca 0.00 -2.63 0.08 0.00 -1.01 0.00 0.00 66.70 63.14 2bhn h VAL 166 Cb 0.19 2.84 -0.10 0.00 -2.01 0.00 0.00 31.29 32.22 2bhn h VAL 166 CO 0.00 0.79 -0.34 0.03 -1.01 0.00 0.00 177.57 177.04 2bhn h ARG 167 N 0.20 -0.23 -0.05 4.17 3.08 -1.73 -1.02 114.38 118.80 2bhn h ARG 167 Ca -0.20 0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.90 2bhn h ARG 167 Cb 2.00 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 32.06 2bhn h ARG 167 CO 0.25 -0.15 -0.25 0.93 -1.07 0.00 0.00 179.97 179.68 2bhn h GLU 168 N -0.24 -0.34 -0.38 0.04 4.39 -1.74 0.12 114.58 116.43 2bhn h GLU 168 Ca 0.18 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.99 2bhn h GLU 168 Cb 0.54 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2bhn h GLU 168 CO -0.58 -0.23 0.27 -1.49 -1.16 0.00 0.00 179.01 175.82 2bhn h TRP 169 N -0.35 0.14 0.54 4.33 4.06 -1.43 2.46 115.95 125.69 2bhn h TRP 169 Ca 0.08 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 2bhn h TRP 169 Cb 0.46 -0.05 0.01 0.00 -1.00 0.00 0.00 29.16 28.58 2bhn h TRP 169 CO -0.31 0.07 -0.26 1.96 -3.56 0.00 0.00 178.44 176.34 2bhn h GLN 170 N 0.13 -0.70 -0.71 0.49 4.20 0.46 -0.26 115.11 118.72 2bhn h GLN 170 Ca 0.18 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.06 2bhn h GLN 170 Cb 0.53 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 2bhn h GLN 170 CO -0.02 -0.44 0.47 -0.07 -0.67 0.00 0.00 178.83 178.10 2bhn h LEU 171 N -1.16 0.41 0.26 1.46 3.38 0.11 0.11 115.31 119.88 2bhn h LEU 171 Ca -0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bhn h LEU 171 Cb 0.58 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2bhn h LEU 171 CO 0.12 0.23 -0.20 0.22 0.09 0.00 0.00 178.44 178.90 2bhn h TYR 172 N 0.45 -0.55 -0.71 1.13 3.20 0.42 -2.01 116.97 118.91 2bhn h TYR 172 Ca 0.34 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.30 2bhn h TYR 172 Cb 0.71 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.11 2bhn h TYR 172 CO -0.00 -0.28 0.36 0.82 -1.64 0.00 0.00 178.16 177.41 2bhn h ILE 173 N -0.45 0.86 -0.60 1.81 2.04 0.52 -1.32 117.51 120.38 2bhn h ILE 173 Ca -0.03 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2bhn h ILE 173 Cb 0.37 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2bhn h ILE 173 CO 0.01 0.11 0.33 -0.07 0.00 0.00 0.00 178.15 178.53 2bhn h LEU 174 N 0.61 0.74 0.00 1.44 3.38 -0.87 0.12 115.31 120.73 2bhn h LEU 174 Ca 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2bhn h LEU 174 Cb 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2bhn h LEU 174 CO -0.26 0.62 0.00 0.00 0.09 0.00 0.00 178.44 178.89 2bhn n GLN 175 N -4.58 0.37 0.00 1.13 6.02 -0.51 -1.33 117.38 118.48 2bhn n GLN 175 Ca 0.04 0.01 0.14 0.00 -0.01 0.00 0.00 57.00 57.18 2bhn n GLN 175 Cb 0.08 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.39 2bhn n GLN 175 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2bhn n SER 176 N -1.02 0.11 -4.81 1.08 7.64 0.41 -4.75 113.62 112.28 2bhn n SER 176 Ca 0.09 0.37 -0.38 0.00 1.01 0.00 0.00 58.87 59.96 2bhn n SER 176 Cb 0.04 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 2bhn n SER 176 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2bhn s PHE 177 N -3.00 3.75 0.20 1.43 0.40 -0.44 -5.01 117.98 115.32 2bhn s PHE 177 Ca 0.13 1.28 -0.31 0.00 -0.60 0.00 0.00 56.93 57.43 2bhn s PHE 177 Cb 0.19 -2.51 -0.11 0.00 0.51 0.00 0.00 43.02 41.10 2bhn s PHE 177 CO 0.56 0.51 1.58 -1.25 0.70 0.00 0.00 175.22 177.33 2bhn s PRO 178 N -1.42 4.19 0.00 0.24 0.04 -1.26 -1.17 135.00 135.62 2bhn s PRO 178 Ca 0.33 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2bhn s PRO 178 Cb -0.18 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2bhn s PRO 178 CO 0.20 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2bhn n GLY 179 N 3.33 3.36 3.53 0.56 0.00 -1.26 -4.92 105.19 109.79 2bhn n GLY 179 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2bhn n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bhn s ILE 180 N -2.46 4.96 0.77 -0.61 1.09 -0.32 -4.94 121.20 119.69 2bhn s ILE 180 Ca 0.00 0.13 -0.02 0.00 -1.10 0.00 0.00 60.65 59.65 2bhn s ILE 180 Cb 0.00 -4.07 0.15 0.00 -1.06 0.00 0.00 42.46 37.48 2bhn s ILE 180 CO 0.00 -0.40 1.05 -0.83 -0.10 0.00 0.00 174.94 174.67 2bhn s GLY 181 N 1.86 1.76 0.16 6.18 0.00 -1.26 -4.37 107.32 111.64 2bhn s GLY 181 Ca 0.19 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 42.95 2bhn s GLY 181 CO 0.15 -1.14 1.65 -0.09 0.00 0.00 0.00 173.10 173.68 2bhn h ARG 182 N -0.71 -0.09 0.33 2.90 2.43 -1.96 -0.98 114.38 116.30 2bhn h ARG 182 Ca -0.36 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 2bhn h ARG 182 Cb 1.26 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2bhn h ARG 182 CO 0.38 -0.06 -0.20 0.00 -1.51 0.00 0.00 179.97 178.58 2bhn h ARG 183 N -0.09 -0.48 -0.75 0.20 3.08 -1.99 -1.40 114.38 112.94 2bhn h ARG 183 Ca 0.17 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.46 2bhn h ARG 183 Cb 0.35 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 2bhn h ARG 183 CO -0.40 -0.32 0.53 1.15 -1.07 0.00 0.00 179.97 179.86 2bhn h THR 184 N -0.50 0.66 0.43 2.04 2.02 -1.81 0.36 112.91 116.10 2bhn h THR 184 Ca -0.04 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2bhn h THR 184 Cb 0.41 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2bhn h THR 184 CO 0.04 0.02 -0.20 0.00 0.37 0.00 0.00 175.52 175.74 2bhn h ALA 185 N 1.64 -0.57 -1.01 6.16 0.00 -0.57 0.98 119.26 125.88 2bhn h ALA 185 Ca 0.36 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.36 2bhn h ALA 185 Cb 1.29 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 2bhn h ALA 185 CO -0.04 -0.55 0.61 0.93 0.00 0.00 0.00 179.25 180.20 2bhn h GLU 186 N -1.11 0.57 0.00 0.00 5.08 -0.86 0.43 114.58 118.69 2bhn h GLU 186 Ca -0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2bhn h GLU 186 Cb 0.49 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2bhn h GLU 186 CO 0.10 0.38 -0.11 0.00 -1.00 0.00 0.00 179.01 178.37 2bhn h ARG 187 N 0.59 0.00 0.02 2.33 3.08 0.11 0.17 114.38 120.67 2bhn h ARG 187 Ca 0.62 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.55 2bhn h ARG 187 Cb 1.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.26 2bhn h ARG 187 CO -0.41 0.11 -0.47 0.82 -1.07 0.00 0.00 179.97 178.96 2bhn h ILE 188 N 0.00 1.50 0.00 2.04 2.04 0.24 -2.73 117.51 120.60 2bhn h ILE 188 Ca -0.00 -2.10 -0.00 0.00 1.00 0.00 0.00 64.86 63.76 2bhn h ILE 188 Cb 0.35 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2bhn h ILE 188 CO 0.01 0.59 -0.00 -0.07 0.00 0.00 0.00 178.15 178.69 2bhn h LEU 189 N -0.33 0.00 0.00 1.44 3.38 -0.82 0.31 115.31 119.29 2bhn h LEU 189 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2bhn h LEU 189 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2bhn h LEU 189 CO 0.09 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 2bhn n GLU 190 N -3.09 0.00 -0.03 1.13 1.02 0.56 -0.22 120.64 120.00 2bhn n GLU 190 Ca -0.01 0.28 0.16 0.00 -0.02 0.00 0.00 57.16 57.56 2bhn n GLU 190 Cb 0.18 -1.15 0.59 0.00 -0.02 0.00 0.00 31.44 31.04 2bhn n GLU 190 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2bhn h ARG 191 N 0.00 0.20 0.00 3.49 -0.00 -1.39 -3.30 114.38 113.37 2bhn h ARG 191 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.98 59.82 2bhn h ARG 191 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 29.90 2bhn h ARG 191 CO 0.00 0.13 -1.57 1.19 -0.00 0.00 0.00 179.97 179.72 2bhn n PHE 192 N -4.44 0.00 0.00 4.08 3.01 0.11 -5.01 117.46 115.21 2bhn n PHE 192 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2bhn n PHE 192 Cb 0.47 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2bhn n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bhn n GLY 193 N 2.53 0.87 3.87 1.37 0.00 0.69 -4.74 105.19 109.77 2bhn n GLY 193 Ca -0.14 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2bhn n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bhn s SER 194 N 0.00 6.54 0.14 1.61 0.01 -1.26 -4.93 113.70 115.80 2bhn s SER 194 Ca 0.00 1.21 -0.07 0.00 1.31 0.00 0.00 55.95 58.40 2bhn s SER 194 Cb 0.00 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 2bhn s SER 194 CO 0.00 -0.43 1.36 -0.07 0.41 0.00 0.00 173.24 174.51 2bhn h LEU 195 N 1.22 0.72 -0.30 2.44 3.38 -1.97 -3.36 115.31 117.44 2bhn h LEU 195 Ca -0.47 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.01 2bhn h LEU 195 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2bhn h LEU 195 CO 0.63 1.25 0.17 -0.08 0.09 0.00 0.00 178.44 180.51 2bhn h GLU 196 N 0.40 0.41 -0.29 1.13 4.81 -1.94 -1.13 114.58 117.97 2bhn h GLU 196 Ca -0.05 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2bhn h GLU 196 Cb 1.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2bhn h GLU 196 CO 0.15 0.34 -0.06 0.00 -0.73 0.00 0.00 179.01 178.71 2bhn h ARG 197 N 0.37 0.46 -0.25 1.92 3.08 -1.87 0.31 114.38 118.41 2bhn h ARG 197 Ca 0.11 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2bhn h ARG 197 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2bhn h ARG 197 CO -0.02 0.54 -0.46 0.35 -1.07 0.00 0.00 179.97 179.31 2bhn h PHE 198 N 0.44 0.94 0.00 3.04 3.57 -1.68 -2.01 116.94 121.24 2bhn h PHE 198 Ca 0.09 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2bhn h PHE 198 Cb 0.39 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2bhn h PHE 198 CO 0.01 1.13 0.00 1.19 -2.23 0.00 0.00 178.31 178.41 2bhn n PHE 199 N -4.14 0.73 0.47 0.41 0.99 -0.44 -2.11 117.46 113.37 2bhn n PHE 199 Ca -0.05 0.33 0.09 0.00 -0.00 0.00 0.00 57.45 57.82 2bhn n PHE 199 Cb 0.57 -1.03 0.11 0.00 -1.00 0.00 0.00 39.48 38.13 2bhn n PHE 199 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2bhn n THR 200 N -2.21 0.25 -2.18 4.37 -1.04 0.05 -5.04 114.28 108.49 2bhn n THR 200 Ca 0.00 -0.62 -0.29 0.00 -2.04 0.00 0.00 64.05 61.10 2bhn n THR 200 Cb 0.13 1.15 0.02 0.00 -1.82 0.00 0.00 70.33 69.81 2bhn n THR 200 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bhn s ALA 201 N -1.33 3.17 0.18 2.41 0.00 -0.79 -5.03 121.76 120.37 2bhn s ALA 201 Ca 0.24 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2bhn s ALA 201 Cb 0.15 -2.83 -0.08 0.00 0.00 0.00 0.00 23.12 20.36 2bhn s ALA 201 CO 0.22 -0.75 0.65 -1.54 0.00 0.00 0.00 175.76 174.34 2bhn s SER 202 N -4.24 6.98 0.34 0.00 1.04 -1.26 -4.92 113.70 111.64 2bhn s SER 202 Ca 0.54 1.28 0.13 0.00 0.48 0.00 0.00 55.95 58.38 2bhn s SER 202 Cb -0.11 -2.37 1.01 0.00 0.10 0.00 0.00 66.02 64.65 2bhn s SER 202 CO 0.49 0.09 1.71 0.07 0.98 0.00 0.00 173.24 176.58 2bhn h LYS 203 N 3.60 0.44 -0.53 4.02 -0.00 -1.97 0.38 116.57 122.50 2bhn h LYS 203 Ca -0.48 -0.03 0.11 0.00 -0.00 0.00 0.00 60.65 60.25 2bhn h LYS 203 Cb 1.20 -0.10 -0.10 0.00 -0.00 0.00 0.00 32.23 33.22 2bhn h LYS 203 CO 0.65 0.29 -0.15 0.00 -0.00 0.00 0.00 179.45 180.25 2bhn h ALA 204 N 1.74 0.33 0.16 0.07 0.00 -2.00 -1.86 119.26 117.71 2bhn h ALA 204 Ca 0.67 0.20 -0.32 0.00 0.00 0.00 0.00 54.91 55.46 2bhn h ALA 204 Cb 1.46 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.69 2bhn h ALA 204 CO -0.48 -0.45 -1.56 1.05 0.00 0.00 0.00 179.25 177.81 2bhn h GLU 205 N -0.01 0.35 0.64 0.00 -0.00 -1.10 -3.40 114.58 111.06 2bhn h GLU 205 Ca 0.25 -0.59 -0.03 0.00 -0.00 0.00 0.00 59.36 58.99 2bhn h GLU 205 Cb 0.40 0.22 -0.01 0.00 -0.00 0.00 0.00 28.75 29.37 2bhn h GLU 205 CO -0.56 1.24 -0.46 0.82 -0.00 0.00 0.00 179.01 180.05 2bhn h ILE 206 N 0.09 0.00 -0.99 -1.06 2.04 -0.25 -3.28 117.51 114.06 2bhn h ILE 206 Ca -0.26 0.00 0.29 0.00 1.00 0.00 0.00 64.86 65.88 2bhn h ILE 206 Cb 2.07 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2bhn h ILE 206 CO 0.19 0.00 0.76 0.77 0.00 0.00 0.00 178.15 179.88 2bhn h SER 207 N -1.06 0.00 0.42 1.72 4.64 -1.55 -1.29 113.55 116.43 2bhn h SER 207 Ca -0.09 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 2bhn h SER 207 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2bhn h SER 207 CO 0.04 0.00 -0.71 0.11 -0.87 0.00 0.00 176.83 175.40 2bhn h LYS 208 N 0.00 0.25 -6.05 4.77 6.56 -1.78 -3.39 116.57 116.93 2bhn h LYS 208 Ca 0.47 -0.21 -0.74 0.00 -1.06 0.00 0.00 60.65 59.12 2bhn h LYS 208 Cb 1.99 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 33.69 2bhn h LYS 208 CO -0.00 0.86 1.13 0.28 -2.06 0.00 0.00 179.45 179.66 2bhn n VAL 209 N -3.80 0.18 -1.65 0.50 0.31 -0.49 -4.77 118.33 108.61 2bhn n VAL 209 Ca -0.03 -0.10 -0.48 0.00 -0.01 0.00 0.00 64.34 63.72 2bhn n VAL 209 Cb 0.69 -1.14 -0.05 0.00 -0.91 0.00 0.00 33.84 32.44 2bhn n VAL 209 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2bhn n GLU 210 N 6.58 1.86 0.00 5.55 2.13 -1.26 -2.05 120.64 133.44 2bhn n GLU 210 Ca 0.37 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.87 2bhn n GLU 210 Cb 0.11 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.41 2bhn n GLU 210 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bhn n GLY 211 N 3.30 0.49 3.11 8.31 0.00 -1.26 -4.80 105.19 114.33 2bhn n GLY 211 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2bhn n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bhn s ILE 212 N -2.02 2.22 0.00 -0.61 1.01 -0.87 -4.91 121.20 116.02 2bhn s ILE 212 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2bhn s ILE 212 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2bhn s ILE 212 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2bhn n GLY 213 N 4.54 -1.88 0.05 6.18 0.00 -1.26 -4.45 105.19 108.37 2bhn n GLY 213 Ca -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 2bhn n GLY 213 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bhn h GLU 214 N 0.00 -0.12 0.00 1.61 4.39 -1.98 -2.74 114.58 115.73 2bhn h GLU 214 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2bhn h GLU 214 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2bhn h GLU 214 CO 0.00 -0.08 0.00 1.63 -1.16 0.00 0.00 179.01 179.40 2bhn n LYS 215 N -2.60 0.00 -0.08 2.33 4.76 -1.26 0.17 118.16 121.48 2bhn n LYS 215 Ca -0.02 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.35 2bhn n LYS 215 Cb 0.05 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.23 2bhn n LYS 215 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2bhn h ARG 216 N 0.00 -0.17 -0.50 1.97 -0.00 -1.92 -2.07 114.38 111.70 2bhn h ARG 216 Ca 0.00 0.01 0.10 0.00 -0.00 0.00 0.00 59.98 60.09 2bhn h ARG 216 Cb 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 29.97 29.90 2bhn h ARG 216 CO 0.00 -0.11 -0.27 0.00 -0.00 0.00 0.00 179.97 179.59 2bhn h ALA 217 N 0.99 0.03 -0.81 0.08 0.00 0.21 0.36 119.26 120.12 2bhn h ALA 217 Ca 0.16 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.36 2bhn h ALA 217 Cb 0.42 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2bhn h ALA 217 CO -0.41 -0.62 0.41 1.49 0.00 0.00 0.00 179.25 180.12 2bhn h GLU 218 N -0.16 0.59 -0.85 0.00 4.22 0.86 0.41 114.58 119.66 2bhn h GLU 218 Ca 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 2bhn h GLU 218 Cb 0.51 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2bhn h GLU 218 CO -0.59 0.39 0.51 0.93 -2.18 0.00 0.00 179.01 178.07 2bhn h GLU 219 N 0.61 1.15 0.27 1.92 4.39 0.30 -1.30 114.58 121.90 2bhn h GLU 219 Ca 0.43 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2bhn h GLU 219 Cb 0.57 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2bhn h GLU 219 CO -0.34 0.80 -0.13 0.82 -1.16 0.00 0.00 179.01 179.00 2bhn h ILE 220 N 1.16 0.00 -1.55 3.13 2.04 0.70 0.40 117.51 123.39 2bhn h ILE 220 Ca 0.30 -0.17 0.47 0.00 1.00 0.00 0.00 64.86 66.47 2bhn h ILE 220 Cb -0.05 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.93 2bhn h ILE 220 CO -0.06 0.00 1.07 0.11 0.00 0.00 0.00 178.15 179.27 2bhn h LYS 221 N -0.53 0.04 0.24 2.37 1.57 -1.10 0.17 116.57 119.33 2bhn h LYS 221 Ca -0.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2bhn h LYS 221 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2bhn h LYS 221 CO 0.06 0.03 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.64 2bhn h LYS 222 N 0.04 -0.31 -0.58 3.15 3.64 -0.97 -2.26 116.57 119.28 2bhn h LYS 222 Ca 0.83 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 60.35 2bhn h LYS 222 Cb 2.98 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 34.76 2bhn h LYS 222 CO -0.21 -0.05 -0.20 0.82 -2.27 0.00 0.00 179.45 177.53 2bhn h ILE 223 N -1.02 0.33 0.00 2.00 2.04 0.12 0.23 117.51 121.20 2bhn h ILE 223 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2bhn h ILE 223 Cb 0.39 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2bhn h ILE 223 CO 0.05 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 178.41 2bhn h LEU 224 N -0.06 0.00 0.00 1.44 3.38 -0.76 -3.26 115.31 116.06 2bhn h LEU 224 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2bhn h LEU 224 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2bhn h LEU 224 CO -0.63 0.00 -0.14 0.23 0.09 0.00 0.00 178.44 177.99 2bhn n MET 225 N -2.59 4.51 -2.31 1.13 2.81 0.61 -5.04 117.12 116.25 2bhn n MET 225 Ca -0.02 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.46 2bhn n MET 225 Cb 0.32 -0.47 -0.03 0.00 -0.71 0.00 0.00 33.22 32.33 2bhn n MET 225 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2bhn s THR 226 N -0.88 3.45 0.63 2.03 2.01 0.00 -5.01 115.64 117.88 2bhn s THR 226 Ca 0.00 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.06 2bhn s THR 226 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2bhn s THR 226 CO 0.00 0.18 1.05 -2.84 -0.69 0.00 0.00 174.62 172.32 2bhn s PRO 227 N -0.08 3.19 0.40 4.92 0.02 -1.26 -5.02 135.00 137.18 2bhn s PRO 227 Ca 0.55 1.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.38 2bhn s PRO 227 Cb -0.34 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.07 2bhn s PRO 227 CO 0.37 -0.90 1.14 -0.47 -0.33 0.00 0.00 177.00 176.81 2bhn s TYR 228 N -2.75 3.11 -2.00 6.54 5.04 -1.26 -5.23 117.35 120.80 2bhn s TYR 228 Ca 0.61 1.58 0.10 0.00 -2.44 0.00 0.00 57.07 56.91 2bhn s TYR 228 Cb -0.15 -3.33 0.58 0.00 0.35 0.00 0.00 41.96 39.41 2bhn s TYR 228 CO 0.45 -1.16 1.02 0.36 -1.34 0.00 0.00 175.55 174.88