#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsm h VAL 2 N 0.00 1.27 -3.80 0.00 2.07 -1.98 -3.44 116.25 110.38 1bsm h VAL 2 Ca 0.00 -0.94 -0.68 0.00 0.82 0.00 0.00 66.70 65.90 1bsm h VAL 2 Cb 0.00 1.55 -0.20 0.00 -1.52 0.00 0.00 31.29 31.13 1bsm h VAL 2 CO 0.00 0.28 -0.75 -0.31 0.02 0.00 0.00 177.57 176.81 1bsm s TYR 3 N -4.84 2.76 0.06 1.57 2.02 -1.26 -5.13 117.35 112.52 1bsm s TYR 3 Ca -0.14 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1bsm s TYR 3 Cb 0.06 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1bsm s TYR 3 CO 0.73 0.30 -0.10 0.95 -1.57 0.00 0.00 175.55 175.86 1bsm s THR 4 N -0.91 0.75 -0.21 -0.71 -4.23 -1.26 -4.93 115.64 104.13 1bsm s THR 4 Ca 0.15 -1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 1bsm s THR 4 Cb -0.11 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1bsm s THR 4 CO 0.05 -0.35 1.07 -0.22 -0.54 0.00 0.00 174.62 174.63 1bsm s LEU 5 N -1.70 4.12 0.39 4.79 2.96 -1.26 -5.02 118.68 122.96 1bsm s LEU 5 Ca -0.06 1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 55.05 1bsm s LEU 5 Cb -0.09 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.95 1bsm s LEU 5 CO 0.01 -0.67 0.97 -2.16 -1.32 0.00 0.00 176.35 173.18 1bsm s PRO 6 N 3.15 4.32 0.49 0.98 0.04 -1.26 -5.04 135.00 137.69 1bsm s PRO 6 Ca 0.46 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 1bsm s PRO 6 Cb -0.16 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 1bsm s PRO 6 CO 0.08 0.04 0.99 -1.21 0.04 0.00 0.00 177.00 176.94 1bsm s GLU 7 N -2.65 3.96 0.33 4.56 0.41 -1.26 -5.02 118.70 119.04 1bsm s GLU 7 Ca 0.57 1.07 -0.28 0.00 -0.41 0.00 0.00 54.97 55.92 1bsm s GLU 7 Cb -0.15 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 29.97 1bsm s GLU 7 CO 0.20 -0.26 1.19 -0.51 -0.49 0.00 0.00 175.26 175.39 1bsm s LEU 8 N -3.78 4.41 0.00 1.80 1.43 -1.26 -4.91 118.68 116.38 1bsm s LEU 8 Ca 0.61 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 56.15 1bsm s LEU 8 Cb -0.11 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1bsm s LEU 8 CO 0.25 -0.42 0.80 -0.81 0.23 0.00 0.00 176.35 176.40 1bsm n PRO 9 N 0.75 0.82 -3.82 1.29 -0.04 -1.26 -4.82 135.00 127.91 1bsm n PRO 9 Ca 0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1bsm n PRO 9 Cb 0.44 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 1bsm n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bsm s TYR 10 N -1.96 -0.08 0.65 0.54 -0.85 -1.26 -5.09 117.35 109.29 1bsm s TYR 10 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 57.07 56.02 1bsm s TYR 10 Cb 0.00 0.72 -0.00 0.00 0.38 0.00 0.00 41.96 43.06 1bsm s TYR 10 CO 0.00 -1.18 1.10 0.34 -1.52 0.00 0.00 175.55 174.28 1bsm s ASP 11 N -3.00 5.21 0.35 -0.18 2.15 -1.26 -4.93 116.67 115.01 1bsm s ASP 11 Ca 0.13 1.94 0.08 0.00 0.43 0.00 0.00 52.55 55.13 1bsm s ASP 11 Cb -0.04 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.82 1bsm s ASP 11 CO 0.07 -1.56 1.88 1.88 -0.17 0.00 0.00 175.17 177.27 1bsm h TYR 12 N 0.01 0.84 -0.10 -5.34 0.05 -1.96 -1.42 116.97 109.05 1bsm h TYR 12 Ca -0.46 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1bsm h TYR 12 Cb 1.24 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1bsm h TYR 12 CO 0.56 0.33 0.00 -1.13 -1.05 0.00 0.00 178.16 176.87 1bsm n SER 13 N -4.55 1.69 0.31 3.88 3.41 -1.26 -3.98 113.62 113.12 1bsm n SER 13 Ca 0.16 -1.63 0.21 0.00 -0.26 0.00 0.00 58.87 57.35 1bsm n SER 13 Cb 0.43 -0.06 1.02 0.00 -0.26 0.00 0.00 64.21 65.33 1bsm n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsm h ALA 14 N 4.23 1.00 -0.02 7.33 0.00 -1.60 -2.46 119.26 127.74 1bsm h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsm h ALA 14 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bsm h ALA 14 CO 0.00 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.52 1bsm n LEU 15 N -3.07 1.98 -4.77 0.00 4.77 -1.26 -4.26 117.00 110.39 1bsm n LEU 15 Ca -0.02 -0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 54.97 1bsm n LEU 15 Cb 0.16 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1bsm n LEU 15 CO 0.23 0.33 0.75 -1.61 -1.33 0.00 0.00 177.39 175.76 1bsm s GLU 16 N -2.01 3.01 0.00 3.23 2.02 -0.93 -1.85 118.70 122.17 1bsm s GLU 16 Ca 0.34 1.44 0.29 0.00 0.02 0.00 0.00 54.97 57.07 1bsm s GLU 16 Cb 0.21 -1.97 1.63 0.00 0.10 0.00 0.00 34.13 34.10 1bsm s GLU 16 CO 0.33 -1.09 2.07 -0.35 0.02 0.00 0.00 175.26 176.23 1bsm n PRO 17 N -2.05 1.14 -0.12 0.39 -0.04 -1.26 -4.86 135.00 128.20 1bsm n PRO 17 Ca 0.11 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 1bsm n PRO 17 Cb 0.52 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1bsm n PRO 17 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bsm h TYR 18 N 0.47 1.06 -3.29 0.54 0.05 -1.75 -3.42 116.97 110.64 1bsm h TYR 18 Ca 0.00 -0.32 -0.42 0.00 0.05 0.00 0.00 58.73 58.04 1bsm h TYR 18 Cb 0.10 -0.22 -0.38 0.00 1.01 0.00 0.00 36.73 37.24 1bsm h TYR 18 CO 0.00 1.13 -0.76 0.42 -1.05 0.00 0.00 178.16 177.90 1bsm s ILE 19 N -4.40 0.32 0.61 -2.88 1.01 -0.77 -4.72 121.20 110.37 1bsm s ILE 19 Ca -0.11 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1bsm s ILE 19 Cb 0.11 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 1bsm s ILE 19 CO 0.87 0.24 1.22 -0.94 0.00 0.00 0.00 174.94 176.33 1bsm s SER 20 N 1.88 5.03 0.37 3.58 1.04 -1.26 -2.73 113.70 121.61 1bsm s SER 20 Ca 0.03 2.41 0.16 0.00 0.48 0.00 0.00 55.95 59.04 1bsm s SER 20 Cb -0.12 -2.60 0.73 0.00 0.10 0.00 0.00 66.02 64.13 1bsm s SER 20 CO -0.04 -1.70 1.79 1.23 0.98 0.00 0.00 173.24 175.49 1bsm h GLY 21 N 0.73 0.00 0.90 7.32 0.00 -1.87 -1.86 103.07 108.28 1bsm h GLY 21 Ca -0.50 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.85 1bsm h GLY 21 CO 0.54 0.00 0.21 -2.09 0.00 0.00 0.00 176.54 175.21 1bsm h GLU 22 N 0.00 0.42 0.01 4.80 4.81 -1.92 -1.44 114.58 121.26 1bsm h GLU 22 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1bsm h GLU 22 Cb 0.78 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1bsm h GLU 22 CO 0.05 0.28 -0.00 0.82 -0.73 0.00 0.00 179.01 179.43 1bsm h ILE 23 N 0.43 1.34 -0.85 2.32 2.04 -1.88 -3.00 117.51 117.91 1bsm h ILE 23 Ca 0.15 -1.03 0.15 0.00 1.00 0.00 0.00 64.86 65.14 1bsm h ILE 23 Cb 0.02 2.04 -0.10 0.00 -0.74 0.00 0.00 36.82 38.03 1bsm h ILE 23 CO -0.08 0.27 0.43 0.24 0.00 0.00 0.00 178.15 179.01 1bsm h MET 24 N -0.45 0.58 -0.04 2.37 2.86 -1.24 0.27 114.93 119.28 1bsm h MET 24 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1bsm h MET 24 Cb 0.44 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1bsm h MET 24 CO 0.00 0.38 -0.03 1.49 1.06 0.00 0.00 176.91 179.81 1bsm h GLU 25 N 0.59 0.09 -0.43 1.72 4.81 -1.30 -0.92 114.58 119.14 1bsm h GLU 25 Ca 0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1bsm h GLU 25 Cb 0.70 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1bsm h GLU 25 CO -0.38 0.51 0.15 -0.07 -0.73 0.00 0.00 179.01 178.49 1bsm h LEU 26 N -0.32 0.61 -0.60 1.64 3.38 -1.30 -0.47 115.31 118.25 1bsm h LEU 26 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1bsm h LEU 26 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1bsm h LEU 26 CO 0.01 0.63 0.39 -0.74 0.09 0.00 0.00 178.44 178.82 1bsm h HIS 27 N 0.55 0.77 0.00 1.13 2.76 -0.46 -1.06 115.15 118.84 1bsm h HIS 27 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1bsm h HIS 27 Cb 0.23 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1bsm h HIS 27 CO 0.01 0.50 -0.04 1.25 -1.30 0.00 0.00 177.93 178.34 1bsm h HIS 28 N 0.82 0.00 -0.03 5.26 -0.00 -1.12 -1.63 115.15 118.44 1bsm h HIS 28 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1bsm h HIS 28 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1bsm h HIS 28 CO -0.03 0.00 -0.14 -0.44 -0.00 0.00 0.00 177.93 177.33 1bsm h ASP 29 N -0.87 0.04 0.00 3.26 3.32 -1.19 -3.15 116.42 117.82 1bsm h ASP 29 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1bsm h ASP 29 Cb 0.04 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1bsm h ASP 29 CO 0.00 0.18 -0.62 0.29 -1.72 0.00 0.00 179.24 177.36 1bsm n LYS 30 N -4.36 0.33 0.27 3.56 4.76 -0.44 -4.44 118.16 117.84 1bsm n LYS 30 Ca -0.02 0.13 -0.16 0.00 -2.87 0.00 0.00 58.31 55.39 1bsm n LYS 30 Cb 0.22 -1.06 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 1bsm n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bsm h HIS 31 N -0.62 -0.61 -0.77 2.13 3.86 -1.37 -2.46 115.15 115.31 1bsm h HIS 31 Ca 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1bsm h HIS 31 Cb 0.62 0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 1bsm h HIS 31 CO -0.27 -0.34 0.39 1.25 0.86 0.00 0.00 177.93 179.82 1bsm h HIS 32 N -0.73 1.09 -0.93 2.45 -0.00 -1.30 -2.45 115.15 113.29 1bsm h HIS 32 Ca -0.07 -0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.34 1bsm h HIS 32 Cb 0.54 -0.34 -0.07 0.00 -0.00 0.00 0.00 27.41 27.53 1bsm h HIS 32 CO -0.03 0.79 0.58 -0.22 -0.00 0.00 0.00 177.93 179.05 1bsm h LYS 33 N 1.08 0.98 -0.72 5.26 3.64 -1.54 -1.71 116.57 123.56 1bsm h LYS 33 Ca 0.27 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1bsm h LYS 33 Cb 0.09 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1bsm h LYS 33 CO -0.04 0.65 0.32 0.00 -2.27 0.00 0.00 179.45 178.11 1bsm h ALA 34 N 1.46 1.21 -0.55 5.00 0.00 -0.95 -1.54 119.26 123.89 1bsm h ALA 34 Ca 0.42 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1bsm h ALA 34 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1bsm h ALA 34 CO -0.21 0.59 -0.07 1.88 0.00 0.00 0.00 179.25 181.44 1bsm h TYR 35 N 1.03 1.12 -0.14 0.00 0.05 -1.15 0.17 116.97 118.04 1bsm h TYR 35 Ca 0.25 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1bsm h TYR 35 Cb 0.14 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 1bsm h TYR 35 CO 0.01 1.03 0.06 0.28 -1.05 0.00 0.00 178.16 178.49 1bsm h VAL 36 N 0.89 1.15 -0.75 -2.88 2.07 -1.11 -0.30 116.25 115.32 1bsm h VAL 36 Ca 0.15 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1bsm h VAL 36 Cb 0.63 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1bsm h VAL 36 CO 0.04 0.13 0.29 0.44 0.02 0.00 0.00 177.57 178.49 1bsm h ASP 37 N 0.08 1.04 -0.47 0.57 3.32 -1.21 -2.12 116.42 117.63 1bsm h ASP 37 Ca 0.05 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 1bsm h ASP 37 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1bsm h ASP 37 CO -0.00 0.94 -0.06 1.23 -1.72 0.00 0.00 179.24 179.63 1bsm h GLY 38 N 1.08 1.00 1.28 2.75 0.00 -0.79 -1.60 103.07 106.79 1bsm h GLY 38 Ca 0.25 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1bsm h GLY 38 CO -0.02 0.68 -0.25 0.00 0.00 0.00 0.00 176.54 176.96 1bsm h ALA 39 N 1.09 0.81 -0.39 3.60 0.00 -0.86 -1.42 119.26 122.09 1bsm h ALA 39 Ca 0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1bsm h ALA 39 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1bsm h ALA 39 CO 0.04 0.65 -0.10 -0.91 0.00 0.00 0.00 179.25 178.92 1bsm h ASN 40 N 0.71 0.76 -0.79 0.00 2.35 -1.26 -2.53 115.58 114.82 1bsm h ASN 40 Ca 0.09 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 1bsm h ASN 40 Cb 0.78 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1bsm h ASN 40 CO 0.06 0.95 0.38 0.74 -1.65 0.00 0.00 177.43 177.91 1bsm h THR 41 N 0.57 1.25 -0.63 2.81 2.02 -1.18 -1.50 112.91 116.25 1bsm h THR 41 Ca 0.10 -0.71 0.02 0.00 0.77 0.00 0.00 66.41 66.59 1bsm h THR 41 Cb 0.62 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1bsm h THR 41 CO 0.04 0.30 0.40 0.00 0.37 0.00 0.00 175.52 176.63 1bsm h ALA 42 N 1.20 0.80 -0.46 6.16 0.00 -1.12 -0.45 119.26 125.39 1bsm h ALA 42 Ca 0.27 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1bsm h ALA 42 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bsm h ALA 42 CO -0.03 0.17 -0.13 -0.07 0.00 0.00 0.00 179.25 179.19 1bsm h LEU 43 N 0.80 0.86 -0.57 0.00 3.38 -1.17 -1.45 115.31 117.16 1bsm h LEU 43 Ca 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1bsm h LEU 43 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1bsm h LEU 43 CO -0.08 1.00 0.31 0.44 0.09 0.00 0.00 178.44 180.20 1bsm h ASP 44 N 0.77 0.72 -0.28 -0.43 3.32 -0.74 -1.19 116.42 118.58 1bsm h ASP 44 Ca 0.12 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1bsm h ASP 44 Cb 0.65 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1bsm h ASP 44 CO 0.04 0.61 -0.17 0.11 -1.72 0.00 0.00 179.24 178.12 1bsm h LYS 45 N 0.77 0.73 -0.54 3.56 6.56 -0.91 -1.31 116.57 125.42 1bsm h LYS 45 Ca 0.20 -0.26 -0.12 0.00 -1.06 0.00 0.00 60.65 59.41 1bsm h LYS 45 Cb 0.06 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 1bsm h LYS 45 CO -0.03 0.85 -0.12 -0.07 -2.06 0.00 0.00 179.45 178.02 1bsm h LEU 46 N 0.65 1.05 -0.55 2.94 3.38 -1.01 0.05 115.31 121.81 1bsm h LEU 46 Ca 0.10 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1bsm h LEU 46 Cb 0.65 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1bsm h LEU 46 CO 0.05 1.16 0.16 0.00 0.09 0.00 0.00 178.44 179.90 1bsm h ALA 47 N 0.92 0.72 -0.80 1.53 0.00 -1.05 -1.40 119.26 119.17 1bsm h ALA 47 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1bsm h ALA 47 Cb 0.70 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1bsm h ALA 47 CO 0.05 0.39 0.41 1.49 0.00 0.00 0.00 179.25 181.59 1bsm h GLU 48 N 0.76 1.13 -0.82 0.00 4.81 -1.04 -1.11 114.58 118.32 1bsm h GLU 48 Ca 0.18 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1bsm h GLU 48 Cb 0.30 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1bsm h GLU 48 CO -0.00 0.85 0.35 0.00 -0.73 0.00 0.00 179.01 179.48 1bsm h ALA 49 N 1.32 1.08 -0.31 2.92 0.00 -0.43 -2.15 119.26 121.68 1bsm h ALA 49 Ca 0.28 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1bsm h ALA 49 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1bsm h ALA 49 CO -0.04 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.47 1bsm h ARG 50 N 1.18 0.76 -0.20 0.00 3.08 -0.75 0.71 114.38 119.16 1bsm h ARG 50 Ca 0.28 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1bsm h ARG 50 Cb 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1bsm h ARG 50 CO -0.03 1.03 0.11 -0.44 -1.07 0.00 0.00 179.97 179.57 1bsm h ASP 51 N 0.62 0.25 0.19 7.04 3.32 -0.90 -3.07 116.42 123.87 1bsm h ASP 51 Ca 0.05 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1bsm h ASP 51 Cb 0.96 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1bsm h ASP 51 CO 0.09 0.26 -0.32 0.29 -1.72 0.00 0.00 179.24 177.84 1bsm n LYS 52 N -4.89 0.87 -3.28 3.56 5.02 -0.84 -4.95 118.16 113.65 1bsm n LYS 52 Ca -0.03 -0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 55.48 1bsm n LYS 52 Cb 0.07 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1bsm n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsm n ALA 53 N -0.57 -1.06 -3.94 7.82 0.00 0.11 -4.97 120.51 117.89 1bsm n ALA 53 Ca 0.11 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1bsm n ALA 53 Cb 0.37 -4.47 -0.15 0.00 0.00 0.00 0.00 19.45 15.21 1bsm n ALA 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bsm s ASP 54 N -3.08 4.44 -0.43 0.00 -1.08 -0.39 -4.95 116.67 111.18 1bsm s ASP 54 Ca 0.43 -2.40 0.05 0.00 -0.52 0.00 0.00 52.55 50.10 1bsm s ASP 54 Cb -0.19 -1.49 0.58 0.00 -1.46 0.00 0.00 42.92 40.37 1bsm s ASP 54 CO 0.53 -0.33 1.78 0.49 0.52 0.00 0.00 175.17 178.16 1bsm n PHE 55 N 3.90 2.52 -0.10 -5.34 3.72 -1.26 -4.52 117.46 116.38 1bsm n PHE 55 Ca 0.04 -1.97 0.08 0.00 -0.05 0.00 0.00 57.45 55.55 1bsm n PHE 55 Cb 0.38 -0.87 0.42 0.00 -0.94 0.00 0.00 39.48 38.48 1bsm n PHE 55 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1bsm h GLY 56 N 1.19 0.72 -3.53 1.37 0.00 -1.97 -1.87 103.07 98.99 1bsm h GLY 56 Ca 0.51 -0.23 -0.32 0.00 0.00 0.00 0.00 47.33 47.28 1bsm h GLY 56 CO 0.96 0.18 0.37 0.00 0.00 0.00 0.00 176.54 178.05 1bsm n ALA 57 N -2.48 4.89 -0.32 3.60 0.00 -1.26 -4.67 120.51 120.27 1bsm n ALA 57 Ca 0.08 -2.66 0.05 0.00 0.00 0.00 0.00 53.44 50.91 1bsm n ALA 57 Cb 0.23 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 18.67 1bsm n ALA 57 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bsm h ILE 58 N 1.79 1.02 -0.72 0.00 6.09 -1.69 -0.57 117.51 123.42 1bsm h ILE 58 Ca 0.40 -0.35 -0.05 0.00 -1.37 0.00 0.00 64.86 63.48 1bsm h ILE 58 Cb 2.44 -0.09 -0.03 0.00 0.47 0.00 0.00 36.82 39.61 1bsm h ILE 58 CO 0.82 0.19 0.24 0.78 -3.07 0.00 0.00 178.15 177.11 1bsm h ASN 59 N 1.02 1.04 -0.02 2.19 2.35 -1.84 -0.72 115.58 119.60 1bsm h ASN 59 Ca 0.42 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1bsm h ASN 59 Cb 0.30 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1bsm h ASN 59 CO -0.18 0.96 0.00 0.50 -1.65 0.00 0.00 177.43 177.06 1bsm h LYS 60 N 1.06 0.03 -0.57 0.81 3.64 -1.69 -2.70 116.57 117.15 1bsm h LYS 60 Ca 0.23 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1bsm h LYS 60 Cb 0.29 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1bsm h LYS 60 CO -0.01 0.33 0.18 -0.07 -2.27 0.00 0.00 179.45 177.61 1bsm h LEU 61 N -0.27 0.79 -0.81 5.20 3.38 -1.01 0.95 115.31 123.55 1bsm h LEU 61 Ca 0.01 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1bsm h LEU 61 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1bsm h LEU 61 CO 0.00 0.75 -0.43 -0.33 0.09 0.00 0.00 178.44 178.52 1bsm h GLU 62 N 0.84 0.37 0.06 1.13 4.39 -1.14 -0.49 114.58 119.73 1bsm h GLU 62 Ca 0.19 -0.19 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 1bsm h GLU 62 Cb 0.24 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1bsm h GLU 62 CO -0.01 0.73 -1.13 -0.22 -1.16 0.00 0.00 179.01 177.22 1bsm h LYS 63 N 0.31 0.58 -0.68 2.33 3.64 -1.15 -1.70 116.57 119.90 1bsm h LYS 63 Ca 0.02 -0.71 0.01 0.00 -1.27 0.00 0.00 60.65 58.70 1bsm h LYS 63 Cb 0.88 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1bsm h LYS 63 CO 0.07 1.30 0.45 -0.44 -2.27 0.00 0.00 179.45 178.56 1bsm h ASP 64 N 0.29 0.79 -0.10 4.20 3.32 -0.68 0.19 116.42 124.42 1bsm h ASP 64 Ca -0.15 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1bsm h ASP 64 Cb 1.79 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 1bsm h ASP 64 CO 0.21 0.58 -0.02 0.25 -1.72 0.00 0.00 179.24 178.54 1bsm h LEU 65 N 0.92 0.19 -0.39 1.55 5.85 -1.11 -1.50 115.31 120.82 1bsm h LEU 65 Ca 0.25 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1bsm h LEU 65 Cb -0.10 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1bsm h LEU 65 CO -0.05 0.50 0.21 0.00 -0.34 0.00 0.00 178.44 178.75 1bsm h ALA 66 N 0.70 0.50 0.26 1.25 0.00 -1.09 0.11 119.26 120.99 1bsm h ALA 66 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bsm h ALA 66 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bsm h ALA 66 CO 0.01 0.04 -0.12 0.35 0.00 0.00 0.00 179.25 179.52 1bsm h PHE 67 N 0.50 -0.32 -0.22 0.00 3.57 -0.66 -1.20 116.94 118.61 1bsm h PHE 67 Ca 0.14 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1bsm h PHE 67 Cb 0.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1bsm h PHE 67 CO -0.02 -0.05 -0.11 -0.91 -2.23 0.00 0.00 178.31 174.99 1bsm h ASN 68 N -0.56 0.49 -0.68 0.41 2.35 -1.28 -1.43 115.58 114.88 1bsm h ASN 68 Ca -0.04 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.23 1bsm h ASN 68 Cb 0.41 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1bsm h ASN 68 CO 0.06 0.79 0.16 0.25 -1.65 0.00 0.00 177.43 177.04 1bsm h LEU 69 N 0.18 1.05 -1.04 1.61 5.85 -0.86 -0.12 115.31 121.98 1bsm h LEU 69 Ca 0.05 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1bsm h LEU 69 Cb 0.61 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1bsm h LEU 69 CO 0.03 1.01 -0.04 0.00 -0.34 0.00 0.00 178.44 179.10 1bsm h ALA 70 N 1.12 1.20 -0.44 1.25 0.00 -1.19 0.17 119.26 121.37 1bsm h ALA 70 Ca 0.22 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1bsm h ALA 70 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bsm h ALA 70 CO 0.00 0.52 -0.23 0.78 0.00 0.00 0.00 179.25 180.32 1bsm h GLY 71 N 0.93 0.98 0.94 0.00 0.00 -0.69 0.42 103.07 105.66 1bsm h GLY 71 Ca 0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1bsm h GLY 71 CO 0.02 0.79 -0.04 0.84 0.00 0.00 0.00 176.54 178.15 1bsm h HIS 72 N 0.78 0.76 0.13 5.60 6.17 -0.46 -1.79 115.15 126.35 1bsm h HIS 72 Ca 0.10 -0.15 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 1bsm h HIS 72 Cb 0.78 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.52 1bsm h HIS 72 CO 0.05 0.81 -0.06 0.28 0.71 0.00 0.00 177.93 179.71 1bsm h VAL 73 N 0.50 0.99 -0.54 5.26 2.07 -0.59 -2.01 116.25 121.93 1bsm h VAL 73 Ca 0.10 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1bsm h VAL 73 Cb 0.53 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1bsm h VAL 73 CO 0.03 0.13 0.29 0.78 0.02 0.00 0.00 177.57 178.81 1bsm h ASN 74 N -0.43 0.43 0.43 0.57 2.35 -0.91 -2.23 115.58 115.77 1bsm h ASN 74 Ca -0.02 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1bsm h ASN 74 Cb 0.35 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1bsm h ASN 74 CO 0.03 0.29 -0.67 0.45 -1.65 0.00 0.00 177.43 175.89 1bsm h HIS 75 N 0.56 0.29 -0.74 1.19 3.86 -1.36 -0.78 115.15 118.17 1bsm h HIS 75 Ca 0.24 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1bsm h HIS 75 Cb 0.12 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1bsm h HIS 75 CO -0.09 0.82 0.26 0.77 0.86 0.00 0.00 177.93 180.55 1bsm h SER 76 N 0.15 1.05 -0.23 2.45 0.02 -1.07 -1.48 113.55 114.43 1bsm h SER 76 Ca -0.01 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.62 1bsm h SER 76 Cb 1.20 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1bsm h SER 76 CO 0.10 0.96 -0.35 0.58 -1.14 0.00 0.00 176.83 176.97 1bsm h VAL 77 N 1.08 1.32 -0.51 2.27 2.07 -1.35 -3.25 116.25 117.88 1bsm h VAL 77 Ca 0.24 -1.56 0.09 0.00 0.82 0.00 0.00 66.70 66.30 1bsm h VAL 77 Cb 0.26 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 1bsm h VAL 77 CO -0.01 0.49 0.06 0.15 0.02 0.00 0.00 177.57 178.28 1bsm h PHE 78 N 0.35 0.09 -0.01 1.57 3.57 -0.69 -0.85 116.94 120.98 1bsm h PHE 78 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1bsm h PHE 78 Cb 0.94 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1bsm h PHE 78 CO 0.08 -0.05 0.00 -1.49 -2.23 0.00 0.00 178.31 174.62 1bsm h TRP 79 N 0.19 0.01 0.00 0.41 -0.00 -1.35 -2.87 115.95 112.33 1bsm h TRP 79 Ca 0.26 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 59.11 1bsm h TRP 79 Cb 0.37 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 1bsm h TRP 79 CO -0.26 0.12 -0.19 0.87 -0.00 0.00 0.00 178.44 178.98 1bsm h LYS 80 N -0.11 0.00 0.00 0.49 1.57 -1.53 -2.54 116.57 114.45 1bsm h LYS 80 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bsm h LYS 80 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1bsm h LYS 80 CO -0.00 0.19 0.00 0.09 -0.57 0.00 0.00 179.45 179.16 1bsm n ASN 81 N -3.54 0.07 -4.45 0.86 3.02 -0.35 -4.73 115.26 106.14 1bsm n ASN 81 Ca -0.01 0.52 -0.23 0.00 -0.03 0.00 0.00 54.58 54.82 1bsm n ASN 81 Cb 0.34 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 1bsm n ASN 81 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bsm s MET 82 N -3.03 1.62 -0.04 3.52 -1.94 -0.96 -0.17 119.30 118.30 1bsm s MET 82 Ca 0.07 -1.72 -0.29 0.00 -1.71 0.00 0.00 55.69 52.03 1bsm s MET 82 Cb 0.09 -1.68 0.10 0.00 2.01 0.00 0.00 34.83 35.35 1bsm s MET 82 CO 0.27 0.31 0.84 0.00 -0.01 0.00 0.00 175.02 176.44 1bsm s ALA 83 N -2.52 -1.82 0.39 3.03 0.00 -0.05 -4.69 121.76 116.11 1bsm s ALA 83 Ca 0.28 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 1bsm s ALA 83 Cb -0.05 0.04 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 1bsm s ALA 83 CO 0.13 -0.51 1.15 -0.35 0.00 0.00 0.00 175.76 176.18 1bsm n PRO 84 N 0.28 1.68 -1.73 0.00 -0.04 -1.26 -4.55 135.00 129.38 1bsm n PRO 84 Ca -0.12 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.51 1bsm n PRO 84 Cb 0.60 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 1bsm n PRO 84 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1bsm n LYS 85 N 0.23 2.62 0.00 0.54 4.81 -1.26 -2.21 118.16 122.90 1bsm n LYS 85 Ca 0.08 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1bsm n LYS 85 Cb 0.38 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.72 1bsm n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bsm n GLY 86 N 2.29 3.05 0.00 3.14 0.00 -1.26 -4.83 105.19 107.58 1bsm n GLY 86 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1bsm n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bsm n SER 87 N 0.74 0.00 -3.93 1.61 7.64 -0.94 -4.74 113.62 114.01 1bsm n SER 87 Ca 0.00 0.45 -0.10 0.00 1.01 0.00 0.00 58.87 60.23 1bsm n SER 87 Cb 0.00 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.63 1bsm n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsm s ALA 88 N -2.95 -0.07 0.66 -0.43 0.00 -1.26 -5.02 121.76 112.69 1bsm s ALA 88 Ca 0.09 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1bsm s ALA 88 Cb 0.10 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1bsm s ALA 88 CO 0.28 -0.24 0.78 -2.30 0.00 0.00 0.00 175.76 174.28 1bsm n PRO 89 N 1.18 0.56 0.07 0.00 -0.02 -1.26 -4.94 135.00 130.59 1bsm n PRO 89 Ca -0.21 0.23 0.12 0.00 -2.02 0.00 0.00 63.50 61.62 1bsm n PRO 89 Cb 0.57 -2.02 0.22 0.00 -0.02 0.00 0.00 33.50 32.25 1bsm n PRO 89 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bsm n GLU 90 N -1.03 0.29 -3.91 -0.52 -0.58 -1.26 -4.48 120.64 109.15 1bsm n GLU 90 Ca 0.12 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.88 1bsm n GLU 90 Cb 0.49 -1.71 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 1bsm n GLU 90 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1bsm s ARG 91 N -3.15 0.53 0.46 3.49 0.52 -1.26 -5.05 118.95 114.48 1bsm s ARG 91 Ca 0.07 -0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 1bsm s ARG 91 Cb 0.13 0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.74 1bsm s ARG 91 CO 0.70 -0.13 1.19 -2.14 0.02 0.00 0.00 175.30 174.94 1bsm s PRO 92 N -2.02 3.75 0.26 3.54 0.02 -1.26 -4.98 135.00 134.31 1bsm s PRO 92 Ca -0.10 1.85 0.02 0.00 0.02 0.00 0.00 61.00 62.79 1bsm s PRO 92 Cb -0.05 -2.45 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 1bsm s PRO 92 CO -0.02 -0.58 0.21 0.95 -0.33 0.00 0.00 177.00 177.23 1bsm s THR 93 N -1.48 0.00 0.00 0.99 -4.23 -1.26 -4.48 115.64 105.18 1bsm s THR 93 Ca 0.63 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1bsm s THR 93 Cb -0.31 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1bsm s THR 93 CO 0.37 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.92 1bsm n ASP 94 N -0.82 0.00 -0.28 3.99 8.00 -1.26 -2.17 116.55 124.00 1bsm n ASP 94 Ca 0.04 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.49 1bsm n ASP 94 Cb 0.64 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.81 1bsm n ASP 94 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1bsm h GLU 95 N 0.00 1.05 0.03 -1.24 3.07 -1.99 -0.30 114.58 115.20 1bsm h GLU 95 Ca 0.00 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1bsm h GLU 95 Cb 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 1bsm h GLU 95 CO 0.00 0.74 -0.01 1.25 -1.40 0.00 0.00 179.01 179.59 1bsm h LEU 96 N 1.06 -0.03 -1.28 1.33 5.85 -1.92 -0.01 115.31 120.32 1bsm h LEU 96 Ca 0.28 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1bsm h LEU 96 Cb -0.03 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1bsm h LEU 96 CO -0.05 0.11 0.49 1.23 -0.34 0.00 0.00 178.44 179.88 1bsm h GLY 97 N -0.16 1.04 1.20 3.75 0.00 -1.20 -0.67 103.07 107.03 1bsm h GLY 97 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1bsm h GLY 97 CO 0.01 0.38 -0.31 0.00 0.00 0.00 0.00 176.54 176.62 1bsm h ALA 98 N 1.54 0.69 -0.45 3.60 0.00 -0.82 -1.96 119.26 121.86 1bsm h ALA 98 Ca 0.27 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1bsm h ALA 98 Cb -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1bsm h ALA 98 CO -0.06 0.67 -0.20 0.00 0.00 0.00 0.00 179.25 179.66 1bsm h ALA 99 N 0.89 0.80 -0.60 0.00 0.00 -0.41 -0.73 119.26 119.20 1bsm h ALA 99 Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1bsm h ALA 99 Cb 0.87 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1bsm h ALA 99 CO 0.08 0.65 0.04 0.82 0.00 0.00 0.00 179.25 180.84 1bsm h ILE 100 N 0.79 1.26 -0.31 0.00 2.04 -1.06 -0.22 117.51 120.01 1bsm h ILE 100 Ca 0.11 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 1bsm h ILE 100 Cb 0.74 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1bsm h ILE 100 CO 0.06 0.39 -0.20 0.44 0.00 0.00 0.00 178.15 178.84 1bsm h ASP 101 N 0.94 0.58 -0.14 1.72 3.32 -1.11 -0.83 116.42 120.89 1bsm h ASP 101 Ca 0.18 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1bsm h ASP 101 Cb 0.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1bsm h ASP 101 CO 0.02 0.78 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.96 1bsm h GLU 102 N 0.52 0.45 -0.01 3.56 4.81 -0.64 -0.58 114.58 122.68 1bsm h GLU 102 Ca 0.08 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1bsm h GLU 102 Cb 0.64 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1bsm h GLU 102 CO 0.05 0.89 -0.31 1.19 -0.73 0.00 0.00 179.01 180.09 1bsm n PHE 103 N -4.40 0.00 -0.08 0.92 3.72 -0.14 -4.38 117.46 113.10 1bsm n PHE 103 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1bsm n PHE 103 Cb 0.47 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1bsm n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bsm n PHE 104 N -0.47 0.00 0.00 1.38 3.72 -0.32 -4.99 117.46 116.78 1bsm n PHE 104 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1bsm n PHE 104 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1bsm n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bsm n GLY 105 N 0.20 2.46 3.70 1.37 0.00 -0.22 -4.53 105.19 108.17 1bsm n GLY 105 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 1bsm n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bsm s SER 106 N 0.00 -0.26 0.18 1.61 1.04 -1.26 -4.72 113.70 110.30 1bsm s SER 106 Ca 0.00 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 55.98 1bsm s SER 106 Cb 0.00 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.74 1bsm s SER 106 CO 0.00 -0.95 1.71 0.15 0.98 0.00 0.00 173.24 175.13 1bsm h PHE 107 N 2.00 1.04 -0.75 5.02 3.57 -1.91 -2.05 116.94 123.86 1bsm h PHE 107 Ca -0.24 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.10 1bsm h PHE 107 Cb 1.24 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1bsm h PHE 107 CO 0.36 0.85 0.26 -0.44 -2.23 0.00 0.00 178.31 177.11 1bsm h ASP 108 N 0.94 1.07 -0.63 0.41 3.32 -1.96 -0.94 116.42 118.63 1bsm h ASP 108 Ca 0.21 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1bsm h ASP 108 Cb 0.30 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1bsm h ASP 108 CO -0.01 0.97 0.07 0.78 -1.72 0.00 0.00 179.24 179.34 1bsm h ASN 109 N 1.11 1.03 -0.43 6.45 4.21 -1.78 -0.33 115.58 125.84 1bsm h ASN 109 Ca 0.25 -0.28 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1bsm h ASN 109 Cb 0.27 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1bsm h ASN 109 CO -0.01 1.05 0.10 -0.03 -1.29 0.00 0.00 177.43 177.25 1bsm h MET 110 N 0.97 0.69 -0.68 0.81 4.05 -1.16 -1.67 114.93 117.94 1bsm h MET 110 Ca 0.19 -0.17 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1bsm h MET 110 Cb 0.47 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 1bsm h MET 110 CO 0.02 0.70 0.44 -0.22 0.23 0.00 0.00 176.91 178.07 1bsm h LYS 111 N 0.56 0.85 -0.43 0.39 3.64 -0.94 0.50 116.57 121.13 1bsm h LYS 111 Ca 0.13 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1bsm h LYS 111 Cb 0.32 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1bsm h LYS 111 CO 0.00 0.56 -0.05 0.00 -2.27 0.00 0.00 179.45 177.69 1bsm h ALA 112 N 1.27 0.59 -0.40 5.00 0.00 -0.88 0.09 119.26 124.93 1bsm h ALA 112 Ca 0.26 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1bsm h ALA 112 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1bsm h ALA 112 CO -0.08 0.43 -0.05 0.37 0.00 0.00 0.00 179.25 179.92 1bsm h GLN 113 N 0.63 0.74 -0.42 0.00 4.15 -1.01 -1.50 115.11 117.71 1bsm h GLN 113 Ca 0.12 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1bsm h GLN 113 Cb 0.57 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1bsm h GLN 113 CO 0.03 0.86 0.16 0.35 -1.93 0.00 0.00 178.83 178.30 1bsm h PHE 114 N 0.56 0.64 -0.33 3.99 3.04 -0.84 -1.76 116.94 122.25 1bsm h PHE 114 Ca 0.11 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1bsm h PHE 114 Cb 0.55 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1bsm h PHE 114 CO 0.04 0.56 0.21 1.15 -2.02 0.00 0.00 178.31 178.26 1bsm h THR 115 N 0.53 1.09 -0.65 4.41 2.02 -0.86 -0.58 112.91 118.87 1bsm h THR 115 Ca 0.14 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1bsm h THR 115 Cb 0.20 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1bsm h THR 115 CO -0.01 0.09 0.40 0.00 0.37 0.00 0.00 175.52 176.37 1bsm h ALA 116 N 1.11 0.84 -0.29 6.16 0.00 -1.12 -0.98 119.26 124.98 1bsm h ALA 116 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1bsm h ALA 116 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1bsm h ALA 116 CO -0.03 0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.33 1bsm h ALA 117 N 1.28 1.36 -0.12 0.00 0.00 -0.93 -2.11 119.26 118.73 1bsm h ALA 117 Ca 0.26 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bsm h ALA 117 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1bsm h ALA 117 CO -0.10 0.44 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 1bsm h ALA 118 N 1.50 0.19 0.00 0.00 0.00 -0.11 -3.34 119.26 117.51 1bsm h ALA 118 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1bsm h ALA 118 Cb 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bsm h ALA 118 CO 0.02 0.08 -0.31 1.79 0.00 0.00 0.00 179.25 180.82 1bsm h THR 119 N -0.08 0.12 -0.04 0.00 1.35 -1.18 -3.35 112.91 109.73 1bsm h THR 119 Ca 0.02 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1bsm h THR 119 Cb 0.70 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1bsm h THR 119 CO 0.04 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1bsm n GLY 120 N 1.14 -0.10 3.72 5.82 0.00 -0.80 -4.96 105.19 110.01 1bsm n GLY 120 Ca 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1bsm n GLY 120 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bsm n ILE 121 N 0.03 0.69 -3.28 -0.61 5.41 -1.25 -4.92 119.36 115.42 1bsm n ILE 121 Ca 0.19 -0.17 -0.45 0.00 1.00 0.00 0.00 62.75 63.32 1bsm n ILE 121 Cb 0.31 -1.86 -0.00 0.00 -0.71 0.00 0.00 39.64 37.38 1bsm n ILE 121 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1bsm s GLN 122 N 0.01 4.09 0.00 0.38 -0.21 -1.26 -4.90 119.66 117.77 1bsm s GLN 122 Ca 0.68 -3.00 0.00 0.00 0.02 0.00 0.00 55.36 53.07 1bsm s GLN 122 Cb -0.54 -4.60 0.00 0.00 1.00 0.00 0.00 33.01 28.87 1bsm s GLN 122 CO 0.44 -1.32 0.00 0.41 -2.12 0.00 0.00 175.29 172.70 1bsm n GLY 123 N 3.12 0.45 3.81 3.09 0.00 -1.26 -5.04 105.19 109.36 1bsm n GLY 123 Ca 0.24 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 1bsm n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bsm s SER 124 N -4.00 6.42 0.00 1.61 0.01 -1.26 -4.95 113.70 111.53 1bsm s SER 124 Ca 0.00 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.10 1bsm s SER 124 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1bsm s SER 124 CO 0.00 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1bsm n GLY 125 N -0.49 -1.10 3.11 3.44 0.00 -1.26 -0.46 105.19 108.42 1bsm n GLY 125 Ca 0.09 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1bsm n GLY 125 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bsm s TRP 126 N -3.00 0.27 -0.16 1.61 0.52 -0.68 -0.92 118.94 116.58 1bsm s TRP 126 Ca 0.00 -0.63 -0.03 0.00 0.02 0.00 0.00 56.10 55.46 1bsm s TRP 126 Cb 0.00 -0.19 -0.02 0.00 -1.15 0.00 0.00 33.47 32.11 1bsm s TRP 126 CO 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 176.95 176.55 1bsm s ALA 127 N -2.88 2.92 -0.02 0.98 0.00 -1.01 -0.85 121.76 120.91 1bsm s ALA 127 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1bsm s ALA 127 Cb 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1bsm s ALA 127 CO -0.06 0.12 -0.04 0.45 0.00 0.00 0.00 175.76 176.22 1bsm s SER 128 N 0.54 0.72 -0.37 0.00 0.15 0.09 -1.40 113.70 113.42 1bsm s SER 128 Ca -0.04 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.38 1bsm s SER 128 Cb -0.15 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1bsm s SER 128 CO 0.03 0.01 0.26 -0.22 1.20 0.00 0.00 173.24 174.51 1bsm s LEU 129 N 0.38 4.77 0.30 3.45 2.96 0.59 -0.04 118.68 131.08 1bsm s LEU 129 Ca -0.04 -0.69 0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1bsm s LEU 129 Cb -0.08 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 1bsm s LEU 129 CO -0.00 -0.34 -0.07 0.68 -1.32 0.00 0.00 176.35 175.29 1bsm s VAL 130 N 1.68 1.83 -0.25 1.68 -7.23 0.00 -0.61 120.40 117.51 1bsm s VAL 130 Ca 0.05 -2.16 -0.10 0.00 -1.81 0.00 0.00 61.98 57.97 1bsm s VAL 130 Cb -0.18 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1bsm s VAL 130 CO 0.10 -0.28 0.14 0.86 -0.31 0.00 0.00 175.10 175.61 1bsm s TRP 131 N -2.89 3.24 -0.49 2.82 -0.11 -0.01 -1.37 118.94 120.13 1bsm s TRP 131 Ca 0.30 0.06 -0.20 0.00 1.22 0.00 0.00 56.10 57.48 1bsm s TRP 131 Cb 0.03 -2.28 0.05 0.00 -1.50 0.00 0.00 33.47 29.77 1bsm s TRP 131 CO 0.13 -0.07 0.64 0.34 -4.62 0.00 0.00 176.95 173.37 1bsm s ASP 132 N 1.30 6.25 0.46 5.86 2.15 0.11 -2.46 116.67 130.35 1bsm s ASP 132 Ca 0.07 -0.71 0.25 0.00 0.43 0.00 0.00 52.55 52.59 1bsm s ASP 132 Cb -0.14 -2.30 1.05 0.00 -0.30 0.00 0.00 42.92 41.22 1bsm s ASP 132 CO 0.06 -0.87 1.88 1.55 -0.17 0.00 0.00 175.17 177.62 1bsm h PRO 133 N 8.97 0.00 0.01 4.34 0.13 -1.84 0.28 132.00 143.88 1bsm h PRO 133 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1bsm h PRO 133 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1bsm h PRO 133 CO 0.94 0.19 -0.05 1.25 -0.23 0.00 0.00 178.00 180.11 1bsm h LEU 134 N 0.00 0.02 -0.04 1.56 5.85 -1.95 -3.32 115.31 117.44 1bsm h LEU 134 Ca -0.00 -0.99 0.00 0.00 0.84 0.00 0.00 57.88 57.72 1bsm h LEU 134 Cb 0.66 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1bsm h LEU 134 CO 0.02 1.02 -0.16 0.61 -0.34 0.00 0.00 178.44 179.60 1bsm n GLY 135 N 1.61 -1.33 3.53 3.75 0.00 -1.23 -4.95 105.19 106.58 1bsm n GLY 135 Ca -0.10 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1bsm n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bsm n LYS 136 N -1.40 -1.96 -3.92 1.61 4.76 0.91 -5.00 118.16 113.16 1bsm n LYS 136 Ca 0.08 0.62 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 1bsm n LYS 136 Cb 0.32 -4.83 -0.03 0.00 -1.84 0.00 0.00 35.03 28.66 1bsm n LYS 136 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1bsm s ARG 137 N -5.43 1.77 -0.21 1.97 1.70 -0.80 -4.99 118.95 112.97 1bsm s ARG 137 Ca 0.42 -1.21 -0.08 0.00 -0.47 0.00 0.00 55.73 54.40 1bsm s ARG 137 Cb -0.11 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1bsm s ARG 137 CO 0.81 -0.78 0.08 0.42 -1.08 0.00 0.00 175.30 174.75 1bsm s ILE 138 N -3.67 4.71 0.30 4.99 1.01 -1.26 0.06 121.20 127.34 1bsm s ILE 138 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1bsm s ILE 138 Cb -0.03 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 1bsm s ILE 138 CO 0.09 0.41 -0.01 0.20 0.00 0.00 0.00 174.94 175.63 1bsm s ASN 139 N 0.84 2.61 -0.04 3.58 0.02 -0.47 -4.88 114.94 116.59 1bsm s ASN 139 Ca 0.04 -1.27 0.03 0.00 -1.02 0.00 0.00 52.86 50.64 1bsm s ASN 139 Cb -0.14 -0.14 -0.03 0.00 0.02 0.00 0.00 41.25 40.97 1bsm s ASN 139 CO 0.02 -0.46 -0.10 0.42 0.02 0.00 0.00 177.10 177.01 1bsm s THR 140 N -3.13 3.42 0.13 1.60 -4.23 -1.26 -0.82 115.64 111.36 1bsm s THR 140 Ca 0.32 -0.65 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1bsm s THR 140 Cb 0.06 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1bsm s THR 140 CO 0.13 0.55 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.85 1bsm s LEU 141 N -0.92 2.41 -0.43 4.79 1.43 0.94 -4.97 118.68 121.93 1bsm s LEU 141 Ca 0.13 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1bsm s LEU 141 Cb -0.11 -0.60 0.12 0.00 0.03 0.00 0.00 46.19 45.63 1bsm s LEU 141 CO 0.02 -0.13 0.17 -1.58 0.23 0.00 0.00 176.35 175.06 1bsm s GLN 142 N -2.71 1.79 0.43 1.70 0.74 -1.26 -0.73 119.66 119.62 1bsm s GLN 142 Ca 0.10 -2.15 -0.24 0.00 0.05 0.00 0.00 55.36 53.12 1bsm s GLN 142 Cb -0.05 -3.34 -0.08 0.00 1.10 0.00 0.00 33.01 30.64 1bsm s GLN 142 CO 0.04 -1.03 1.13 -0.06 -0.55 0.00 0.00 175.29 174.82 1bsm s PHE 143 N 0.49 3.03 -0.14 1.67 0.08 -0.03 -4.72 117.98 118.36 1bsm s PHE 143 Ca 0.13 1.57 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 1bsm s PHE 143 Cb -0.22 -3.31 -0.03 0.00 -0.57 0.00 0.00 43.02 38.89 1bsm s PHE 143 CO -0.05 -1.21 0.02 0.71 -0.10 0.00 0.00 175.22 174.59 1bsm s TYR 144 N -1.55 3.17 0.00 0.36 2.02 0.18 -1.68 117.35 119.85 1bsm s TYR 144 Ca 0.60 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 1bsm s TYR 144 Cb -0.27 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1bsm s TYR 144 CO 0.34 0.23 0.00 -0.25 -1.57 0.00 0.00 175.55 174.30 1bsm n ASP 145 N 2.99 0.00 0.00 2.29 8.00 0.40 -1.98 116.55 128.24 1bsm n ASP 145 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1bsm n ASP 145 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1bsm n ASP 145 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1bsm n HIS 146 N 4.03 0.00 -0.36 1.24 8.25 -1.26 -4.09 115.22 123.03 1bsm n HIS 146 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1bsm n HIS 146 Cb 0.00 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.27 1bsm n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bsm n GLN 147 N -1.49 2.84 -4.42 -0.41 0.00 -1.21 -4.78 117.38 107.91 1bsm n GLN 147 Ca 0.00 -2.17 -0.27 0.00 0.00 0.00 0.00 57.00 54.57 1bsm n GLN 147 Cb 0.26 -1.37 -0.11 0.00 0.00 0.00 0.00 30.24 29.02 1bsm n GLN 147 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1bsm s ASN 148 N -1.27 3.50 -0.56 2.61 0.01 -0.84 -4.81 114.94 113.57 1bsm s ASN 148 Ca 0.24 -0.86 -0.01 0.00 -0.71 0.00 0.00 52.86 51.53 1bsm s ASN 148 Cb 0.16 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1bsm s ASN 148 CO 0.12 0.12 0.47 -3.20 -1.51 0.00 0.00 177.10 173.10 1bsm n ASN 149 N 0.21 -2.46 -3.66 -1.22 4.05 -1.26 -0.65 115.26 110.27 1bsm n ASN 149 Ca -0.12 -0.27 -0.15 0.00 0.45 0.00 0.00 54.58 54.49 1bsm n ASN 149 Cb 0.56 -2.60 -0.08 0.00 1.23 0.00 0.00 39.78 38.89 1bsm n ASN 149 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1bsm s LEU 150 N -3.96 -0.15 0.51 1.20 2.34 -1.26 -4.42 118.68 112.94 1bsm s LEU 150 Ca 0.06 0.91 -0.18 0.00 0.06 0.00 0.00 54.13 54.98 1bsm s LEU 150 Cb -0.03 2.00 -0.08 0.00 -0.56 0.00 0.00 46.19 47.52 1bsm s LEU 150 CO 0.33 -0.32 1.01 -2.84 -1.06 0.00 0.00 176.35 173.47 1bsm s PRO 151 N -0.26 3.81 0.39 1.48 0.02 -1.26 -5.02 135.00 134.17 1bsm s PRO 151 Ca -0.04 1.16 -0.26 0.00 0.02 0.00 0.00 61.00 61.88 1bsm s PRO 151 Cb -0.03 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 1bsm s PRO 151 CO 0.03 -0.40 1.20 0.00 -0.33 0.00 0.00 177.00 177.51 1bsm s ALA 152 N -2.31 3.20 0.00 -1.55 0.00 -1.26 -2.93 121.76 116.91 1bsm s ALA 152 Ca 0.63 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1bsm s ALA 152 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1bsm s ALA 152 CO 0.26 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1bsm n GLY 153 N 0.67 1.06 3.71 0.00 0.00 -1.26 -5.03 105.19 104.35 1bsm n GLY 153 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1bsm n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bsm s SER 154 N -2.90 6.60 -0.32 1.61 0.01 -1.15 -4.61 113.70 112.94 1bsm s SER 154 Ca 0.00 2.55 -0.09 0.00 1.31 0.00 0.00 55.95 59.72 1bsm s SER 154 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1bsm s SER 154 CO 0.00 -0.85 0.15 -0.63 0.41 0.00 0.00 173.24 172.32 1bsm s ILE 155 N 1.80 4.44 0.15 1.44 1.01 -1.03 -4.94 121.20 124.07 1bsm s ILE 155 Ca 0.72 -0.59 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 1bsm s ILE 155 Cb -0.42 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1bsm s ILE 155 CO 0.32 -0.00 1.50 -2.16 0.00 0.00 0.00 174.94 174.59 1bsm s PRO 156 N 1.57 4.25 -0.12 2.79 0.04 -1.26 -0.83 135.00 141.44 1bsm s PRO 156 Ca 0.03 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 1bsm s PRO 156 Cb -0.18 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1bsm s PRO 156 CO 0.05 -0.54 -0.13 1.28 0.04 0.00 0.00 177.00 177.70 1bsm n LEU 157 N 3.88 2.06 -3.70 -3.56 4.77 0.22 -4.92 117.00 115.75 1bsm n LEU 157 Ca 0.13 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1bsm n LEU 157 Cb 0.40 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1bsm n LEU 157 CO 0.60 0.51 -0.07 -0.22 -1.33 0.00 0.00 177.39 176.88 1bsm s LEU 158 N -6.13 0.05 0.05 2.23 2.96 -0.95 -4.48 118.68 112.41 1bsm s LEU 158 Ca -0.17 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 1bsm s LEU 158 Cb 0.05 0.92 -0.02 0.00 0.50 0.00 0.00 46.19 47.64 1bsm s LEU 158 CO 0.25 -0.19 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.88 1bsm s GLN 159 N 1.65 0.70 -0.13 1.98 -0.21 -1.26 -0.30 119.66 122.09 1bsm s GLN 159 Ca -0.06 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.53 1bsm s GLN 159 Cb -0.10 -0.62 0.02 0.00 1.00 0.00 0.00 33.01 33.31 1bsm s GLN 159 CO -0.10 0.14 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.91 1bsm s LEU 160 N -1.44 1.60 -0.30 2.90 2.96 -0.49 -4.76 118.68 119.15 1bsm s LEU 160 Ca -0.04 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 1bsm s LEU 160 Cb -0.09 -1.10 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 1bsm s LEU 160 CO 0.01 -0.05 1.40 -0.62 -1.32 0.00 0.00 176.35 175.77 1bsm s ASP 161 N 1.40 6.54 -0.14 3.68 -1.08 -1.26 -2.41 116.67 123.40 1bsm s ASP 161 Ca 0.02 1.23 0.16 0.00 -0.52 0.00 0.00 52.55 53.44 1bsm s ASP 161 Cb -0.13 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.42 1bsm s ASP 161 CO -0.08 -1.19 1.54 0.23 0.52 0.00 0.00 175.17 176.19 1bsm n MET 162 N 7.54 3.62 -2.39 4.34 2.81 -0.10 -4.83 117.12 128.11 1bsm n MET 162 Ca 0.16 -2.82 -0.38 0.00 -1.81 0.00 0.00 57.70 52.85 1bsm n MET 162 Cb 0.47 -1.87 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 1bsm n MET 162 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1bsm s TRP 163 N -2.20 3.23 0.53 2.03 0.52 -1.21 -4.26 118.94 117.59 1bsm s TRP 163 Ca 0.45 1.61 0.24 0.00 0.02 0.00 0.00 56.10 58.42 1bsm s TRP 163 Cb 0.32 -3.31 1.38 0.00 -1.15 0.00 0.00 33.47 30.71 1bsm s TRP 163 CO 0.17 -0.98 2.03 0.93 0.02 0.00 0.00 176.95 179.11 1bsm h GLU 164 N 2.89 0.00 0.00 4.98 5.08 -1.94 -1.01 114.58 124.58 1bsm h GLU 164 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1bsm h GLU 164 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1bsm h GLU 164 CO 0.64 0.00 0.00 1.12 -1.00 0.00 0.00 179.01 179.77 1bsm h HIS 165 N 0.00 0.00 0.00 4.33 2.07 -1.97 0.31 115.15 119.89 1bsm h HIS 165 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1bsm h HIS 165 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1bsm h HIS 165 CO 0.00 0.00 -0.20 0.00 -3.07 0.00 0.00 177.93 174.66 1bsm n ALA 166 N -1.93 2.61 0.00 6.11 0.00 -0.38 -4.57 120.51 122.34 1bsm n ALA 166 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1bsm n ALA 166 Cb 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1bsm n ALA 166 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bsm n PHE 167 N -1.89 0.00 -0.25 0.00 1.16 -0.95 -4.97 117.46 110.57 1bsm n PHE 167 Ca 0.06 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.68 1bsm n PHE 167 Cb 0.39 0.00 0.18 0.00 -1.61 0.00 0.00 39.48 38.44 1bsm n PHE 167 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1bsm h TYR 168 N 0.00 0.51 -0.34 2.97 3.20 -1.12 0.20 116.97 122.39 1bsm h TYR 168 Ca 0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1bsm h TYR 168 Cb 0.00 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1bsm h TYR 168 CO 0.00 0.07 0.23 -0.07 -1.64 0.00 0.00 178.16 176.75 1bsm h LEU 169 N 0.45 0.21 0.00 2.82 3.38 -1.87 -0.04 115.31 120.25 1bsm h LEU 169 Ca 0.40 -0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.94 1bsm h LEU 169 Cb 0.60 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1bsm h LEU 169 CO -0.39 0.14 -2.46 1.67 0.09 0.00 0.00 178.44 177.49 1bsm n GLN 170 N -4.48 0.56 0.00 1.13 7.27 -0.84 -4.70 117.38 116.31 1bsm n GLN 170 Ca 0.04 0.24 0.11 0.00 0.07 0.00 0.00 57.00 57.46 1bsm n GLN 170 Cb 0.24 -1.44 0.04 0.00 2.41 0.00 0.00 30.24 31.49 1bsm n GLN 170 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1bsm n TYR 171 N -4.10 0.00 0.00 3.69 4.01 0.66 -5.05 117.16 116.36 1bsm n TYR 171 Ca -0.51 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 1bsm n TYR 171 Cb 0.87 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1bsm n TYR 171 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bsm n LYS 172 N 0.36 0.00 0.03 -0.72 4.01 -0.03 -1.64 118.16 120.17 1bsm n LYS 172 Ca 0.11 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.03 1bsm n LYS 172 Cb 0.50 0.00 0.29 0.00 -0.51 0.00 0.00 35.03 35.31 1bsm n LYS 172 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1bsm n ASN 173 N 5.56 0.53 -3.88 4.39 6.94 -1.26 -4.23 115.26 123.29 1bsm n ASN 173 Ca 0.00 0.08 -0.42 0.00 -0.02 0.00 0.00 54.58 54.22 1bsm n ASN 173 Cb 0.00 0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 1bsm n ASN 173 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1bsm n VAL 174 N -1.80 3.08 0.27 3.53 0.31 -0.65 -4.72 118.33 118.35 1bsm n VAL 174 Ca 0.05 -2.81 0.11 0.00 -0.01 0.00 0.00 64.34 61.68 1bsm n VAL 174 Cb 0.38 -2.48 0.75 0.00 -0.91 0.00 0.00 33.84 31.59 1bsm n VAL 174 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1bsm h LYS 175 N 6.87 0.00 -0.67 5.55 2.10 -1.82 -2.40 116.57 126.20 1bsm h LYS 175 Ca 0.50 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.11 1bsm h LYS 175 Cb 0.70 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 1bsm h LYS 175 CO 1.80 0.02 0.28 0.78 -2.00 0.00 0.00 179.45 180.34 1bsm h GLY 176 N 0.10 1.05 1.78 0.07 0.00 -1.96 -1.91 103.07 102.21 1bsm h GLY 176 Ca -0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 1bsm h GLY 176 CO 0.00 0.51 -0.62 -0.55 0.00 0.00 0.00 176.54 175.89 1bsm h ASP 177 N 0.97 0.25 -0.24 0.19 3.32 -1.83 -2.69 116.42 116.38 1bsm h ASP 177 Ca 0.23 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1bsm h ASP 177 Cb 0.16 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1bsm h ASP 177 CO -0.02 0.80 0.10 0.22 -1.72 0.00 0.00 179.24 178.62 1bsm h TYR 178 N 0.16 0.37 -0.34 4.55 3.20 -1.38 -1.86 116.97 121.68 1bsm h TYR 178 Ca -0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1bsm h TYR 178 Cb 1.12 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1bsm h TYR 178 CO 0.02 0.39 0.16 0.28 -1.64 0.00 0.00 178.16 177.37 1bsm h VAL 179 N 0.24 1.17 -0.34 1.81 2.07 -1.34 -0.67 116.25 119.19 1bsm h VAL 179 Ca 0.08 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1bsm h VAL 179 Cb 0.18 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1bsm h VAL 179 CO -0.01 0.18 0.15 0.11 0.02 0.00 0.00 177.57 178.02 1bsm h LYS 180 N 0.41 0.30 -0.57 1.57 1.57 -1.41 -2.48 116.57 115.96 1bsm h LYS 180 Ca 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1bsm h LYS 180 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1bsm h LYS 180 CO -0.01 0.20 0.23 0.77 -0.57 0.00 0.00 179.45 180.07 1bsm h SER 181 N 0.31 0.78 -0.92 0.86 0.02 -1.20 -3.07 113.55 110.34 1bsm h SER 181 Ca 0.15 -0.17 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1bsm h SER 181 Cb 0.08 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.35 1bsm h SER 181 CO -0.12 0.73 0.59 -0.25 -1.14 0.00 0.00 176.83 176.64 1bsm h TRP 182 N 0.78 0.93 -0.52 3.45 7.01 -0.68 -1.55 115.95 125.38 1bsm h TRP 182 Ca 0.19 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.30 1bsm h TRP 182 Cb 0.19 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 1bsm h TRP 182 CO 0.01 0.36 0.35 -1.49 -2.79 0.00 0.00 178.44 174.87 1bsm h TRP 183 N 0.80 0.35 0.00 2.65 4.06 -1.37 -1.69 115.95 120.75 1bsm h TRP 183 Ca 0.46 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.39 1bsm h TRP 183 Cb 0.62 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1bsm h TRP 183 CO -0.00 0.18 -0.14 -0.91 -3.56 0.00 0.00 178.44 174.00 1bsm h ASN 184 N 0.34 0.00 -0.57 -3.49 4.21 -1.41 -2.91 115.58 111.74 1bsm h ASN 184 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1bsm h ASN 184 Cb 0.49 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1bsm h ASN 184 CO -0.06 0.14 0.00 1.33 -1.29 0.00 0.00 177.43 177.56 1bsm n VAL 185 N -3.78 1.41 -2.37 2.81 0.24 -0.64 -4.41 118.33 111.58 1bsm n VAL 185 Ca -0.02 -1.14 -0.42 0.00 -2.04 0.00 0.00 64.34 60.72 1bsm n VAL 185 Cb 0.25 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 1bsm n VAL 185 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1bsm s VAL 186 N -1.45 3.85 -0.84 3.34 1.01 -1.10 -0.87 120.40 124.33 1bsm s VAL 186 Ca 0.43 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 1bsm s VAL 186 Cb 0.26 -3.86 0.17 0.00 0.00 0.00 0.00 36.38 32.95 1bsm s VAL 186 CO 0.24 0.12 0.89 0.21 0.00 0.00 0.00 175.10 176.56 1bsm s ASN 187 N 0.95 6.65 0.58 3.32 3.04 0.76 -4.78 114.94 125.47 1bsm s ASN 187 Ca 0.59 -2.32 0.38 0.00 0.04 0.00 0.00 52.86 51.55 1bsm s ASN 187 Cb -0.31 -2.29 1.96 0.00 -1.54 0.00 0.00 41.25 39.07 1bsm s ASN 187 CO 0.30 -0.81 2.16 -0.50 -3.04 0.00 0.00 177.10 175.22 1bsm h TRP 188 N 8.32 0.00 -0.34 0.43 4.06 -1.84 -2.05 115.95 124.53 1bsm h TRP 188 Ca 0.08 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.90 1bsm h TRP 188 Cb 1.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 1bsm h TRP 188 CO 1.06 0.00 -0.32 -0.44 -3.56 0.00 0.00 178.44 175.18 1bsm h ASP 189 N 0.00 0.87 -0.45 -3.49 3.32 -1.92 -0.97 116.42 113.78 1bsm h ASP 189 Ca 0.00 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1bsm h ASP 189 Cb 0.14 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1bsm h ASP 189 CO 0.00 1.15 -0.03 -0.78 -1.72 0.00 0.00 179.24 177.86 1bsm h ASP 190 N 0.59 0.81 -0.67 6.45 3.58 -1.67 -1.63 116.42 123.88 1bsm h ASP 190 Ca 0.06 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1bsm h ASP 190 Cb 0.90 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 1bsm h ASP 190 CO 0.08 0.94 0.34 0.58 -2.88 0.00 0.00 179.24 178.30 1bsm h VAL 191 N 0.66 1.22 -0.85 2.25 2.07 -1.44 -1.80 116.25 118.36 1bsm h VAL 191 Ca 0.12 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1bsm h VAL 191 Cb 0.54 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1bsm h VAL 191 CO 0.03 0.25 0.45 0.00 0.02 0.00 0.00 177.57 178.31 1bsm h ALA 192 N 1.16 1.19 -0.25 1.67 0.00 -0.99 -1.22 119.26 120.83 1bsm h ALA 192 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bsm h ALA 192 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1bsm h ALA 192 CO -0.03 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.21 1bsm h LEU 193 N 1.19 0.34 -1.00 0.00 5.85 -0.90 -1.72 115.31 119.07 1bsm h LEU 193 Ca 0.30 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1bsm h LEU 193 Cb 0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1bsm h LEU 193 CO -0.04 0.42 0.34 0.03 -0.34 0.00 0.00 178.44 178.85 1bsm h ARG 194 N 0.25 1.05 -0.63 1.25 3.08 -1.03 -2.60 114.38 115.75 1bsm h ARG 194 Ca 0.08 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1bsm h ARG 194 Cb 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1bsm h ARG 194 CO -0.01 0.82 0.04 0.35 -1.07 0.00 0.00 179.97 180.10 1bsm h PHE 195 N 1.04 1.18 0.00 3.04 3.57 -1.05 -1.92 116.94 122.80 1bsm h PHE 195 Ca 0.25 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1bsm h PHE 195 Cb 0.12 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1bsm h PHE 195 CO 0.01 1.01 -0.21 0.77 -2.23 0.00 0.00 178.31 177.66 1bsm h SER 196 N 1.00 0.00 0.03 0.41 0.02 -0.99 -2.93 113.55 111.09 1bsm h SER 196 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1bsm h SER 196 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1bsm h SER 196 CO 0.02 0.21 -0.55 -0.62 -1.14 0.00 0.00 176.83 174.75 1bsm n GLU 197 N -3.73 0.91 -1.65 3.45 1.02 -1.01 -4.61 120.64 115.01 1bsm n GLU 197 Ca -0.01 -0.73 -0.44 0.00 -0.02 0.00 0.00 57.16 55.96 1bsm n GLU 197 Cb 0.32 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1bsm n GLU 197 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsm n ALA 198 N -0.41 1.46 -3.51 0.62 0.00 -0.75 -2.68 120.51 115.24 1bsm n ALA 198 Ca 0.08 0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1bsm n ALA 198 Cb 0.43 -2.69 0.04 0.00 0.00 0.00 0.00 19.45 17.23 1bsm n ALA 198 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bsm n ARG 199 N 7.60 -1.45 -0.02 0.00 0.00 -1.26 -4.11 116.66 117.43 1bsm n ARG 199 Ca 0.23 0.74 0.00 0.00 -0.00 0.00 0.00 57.85 58.82 1bsm n ARG 199 Cb 0.39 -4.52 0.00 0.00 0.00 0.00 0.00 32.46 28.33 1bsm n ARG 199 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1bsm n VAL 200 N -3.43 0.00 -1.03 5.15 0.31 -1.09 -5.18 118.33 113.06 1bsm n VAL 200 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1bsm n VAL 200 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1bsm n VAL 200 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51