#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bol s ILE 3 N 0.00 4.78 -0.04 2.46 -4.36 -1.26 -5.11 121.20 117.68 2bol s ILE 3 Ca 0.00 -0.50 0.07 0.00 -0.26 0.00 0.00 60.65 59.96 2bol s ILE 3 Cb 0.00 -3.75 -0.01 0.00 1.25 0.00 0.00 42.46 39.95 2bol s ILE 3 CO 0.00 -0.48 -0.24 -0.36 0.24 0.00 0.00 174.94 174.10 2bol s PHE 4 N -2.37 2.25 0.60 1.37 0.08 -1.26 -5.13 117.98 113.53 2bol s PHE 4 Ca 0.42 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.75 2bol s PHE 4 Cb -0.10 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 2bol s PHE 4 CO 0.36 -0.13 1.07 -1.25 -0.10 0.00 0.00 175.22 175.17 2bol s PRO 5 N -0.33 3.23 0.11 0.24 0.04 -1.26 -5.07 135.00 131.97 2bol s PRO 5 Ca 0.02 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.36 2bol s PRO 5 Cb -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2bol s PRO 5 CO 0.01 -0.88 0.04 0.95 0.04 0.00 0.00 177.00 177.16 2bol s THR 6 N -2.42 4.14 0.15 1.26 -4.23 -1.26 -5.10 115.64 108.19 2bol s THR 6 Ca 0.64 -1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 59.86 2bol s THR 6 Cb -0.17 -3.02 -0.07 0.00 1.34 0.00 0.00 72.50 70.58 2bol s THR 6 CO 0.37 0.04 0.80 -0.60 -0.54 0.00 0.00 174.62 174.70 2bol s ARG 7 N -2.56 4.59 0.49 3.99 6.06 -1.26 -5.06 118.95 125.19 2bol s ARG 7 Ca 0.28 1.18 0.05 0.00 -2.50 0.00 0.00 55.73 54.74 2bol s ARG 7 Cb -0.11 -3.29 0.03 0.00 0.06 0.00 0.00 34.95 31.64 2bol s ARG 7 CO 0.20 0.50 0.67 0.34 -2.50 0.00 0.00 175.30 174.51 2bol s ASP 8 N -0.89 5.44 0.00 -2.12 2.15 -1.26 -5.02 116.67 114.97 2bol s ASP 8 Ca 0.37 -0.28 0.14 0.00 0.43 0.00 0.00 52.55 53.21 2bol s ASP 8 Cb -0.23 -0.68 0.19 0.00 -0.30 0.00 0.00 42.92 41.90 2bol s ASP 8 CO 0.26 -0.97 1.06 -1.54 -0.17 0.00 0.00 175.17 173.81 2bol n SER 9 N -2.09 2.47 -4.42 -0.34 3.41 -1.26 -4.98 113.62 106.41 2bol n SER 9 Ca 0.09 -1.71 -0.25 0.00 -0.26 0.00 0.00 58.87 56.74 2bol n SER 9 Cb 0.59 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2bol n SER 9 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bol s ARG 10 N -1.16 1.51 0.71 4.33 0.52 -1.26 -5.14 118.95 118.47 2bol s ARG 10 Ca 0.20 -1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 53.79 2bol s ARG 10 Cb 0.13 -1.72 0.08 0.00 0.52 0.00 0.00 34.95 33.96 2bol s ARG 10 CO 0.19 0.35 1.01 0.16 0.02 0.00 0.00 175.30 177.03 2bol s ASP 11 N -2.90 4.62 0.08 0.23 -4.77 -1.26 -4.92 116.67 107.75 2bol s ASP 11 Ca 0.22 0.23 -0.25 0.00 -3.30 0.00 0.00 52.55 49.45 2bol s ASP 11 Cb -0.07 -0.81 -0.16 0.00 -1.09 0.00 0.00 42.92 40.79 2bol s ASP 11 CO 0.10 -1.70 1.70 0.25 0.70 0.00 0.00 175.17 176.22 2bol h LEU 12 N -0.60 -0.17 -1.51 2.11 5.85 -2.00 -2.44 115.31 116.54 2bol h LEU 12 Ca -0.43 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 2bol h LEU 12 Cb 1.30 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2bol h LEU 12 CO 0.53 -0.11 -0.07 0.77 -0.34 0.00 0.00 178.44 179.23 2bol h SER 13 N -0.22 0.22 -0.49 1.25 4.64 -1.99 -1.27 113.55 115.69 2bol h SER 13 Ca -0.02 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 2bol h SER 13 Cb 0.17 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2bol h SER 13 CO 0.03 0.32 0.15 -1.28 -0.87 0.00 0.00 176.83 175.19 2bol h SER 14 N 0.23 0.71 -0.79 4.97 0.87 -1.91 0.15 113.55 117.78 2bol h SER 14 Ca 0.05 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 2bol h SER 14 Cb 0.27 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2bol h SER 14 CO 0.01 0.73 0.34 0.03 -0.53 0.00 0.00 176.83 177.41 2bol h ARG 15 N 0.66 1.17 -0.04 2.24 3.08 -0.84 -1.97 114.38 118.68 2bol h ARG 15 Ca 0.16 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2bol h ARG 15 Cb 0.27 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2bol h ARG 15 CO -0.01 0.93 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.72 2bol h ARG 16 N 1.14 0.08 -0.78 0.04 2.43 -0.94 -1.97 114.38 114.38 2bol h ARG 16 Ca 0.27 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.53 2bol h ARG 16 Cb 0.18 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2bol h ARG 16 CO -0.03 0.47 0.51 -0.09 -1.51 0.00 0.00 179.97 179.33 2bol h ARG 17 N -0.32 0.56 -0.01 0.20 9.65 -0.87 0.16 114.38 123.74 2bol h ARG 17 Ca 0.01 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.75 2bol h ARG 17 Cb 0.45 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2bol h ARG 17 CO 0.01 0.37 -0.49 1.03 2.80 0.00 0.00 179.97 183.69 2bol h SER 18 N 0.58 0.03 0.06 -3.80 0.87 -1.09 -2.43 113.55 107.77 2bol h SER 18 Ca 0.38 -0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.70 2bol h SER 18 Cb 0.67 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2bol h SER 18 CO -0.14 0.52 -0.91 0.25 -0.53 0.00 0.00 176.83 176.02 2bol h LEU 19 N 0.03 0.70 -1.00 2.23 5.85 -0.01 -3.09 115.31 120.01 2bol h LEU 19 Ca -0.00 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2bol h LEU 19 Cb 0.88 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2bol h LEU 19 CO 0.07 1.42 0.61 0.40 -0.34 0.00 0.00 178.44 180.59 2bol h ILE 20 N 0.05 1.26 -0.49 4.05 2.04 -0.87 -2.10 117.51 121.46 2bol h ILE 20 Ca -0.13 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2bol h ILE 20 Cb 1.61 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2bol h ILE 20 CO 0.18 0.26 0.00 0.47 0.00 0.00 0.00 178.15 179.05 2bol n ASP 21 N -4.37 4.81 -4.80 1.72 9.92 -0.93 -4.96 116.55 117.95 2bol n ASP 21 Ca 0.11 -2.71 -0.32 0.00 -0.53 0.00 0.00 54.79 51.34 2bol n ASP 21 Cb 0.04 -0.64 0.04 0.00 -0.64 0.00 0.00 41.12 39.92 2bol n ASP 21 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2bol s TRP 22 N -2.36 2.97 -1.01 1.24 -0.11 -0.79 -4.96 118.94 113.92 2bol s TRP 22 Ca 0.45 1.48 -0.12 0.00 1.22 0.00 0.00 56.10 59.13 2bol s TRP 22 Cb 0.34 -2.96 0.24 0.00 -1.50 0.00 0.00 33.47 29.58 2bol s TRP 22 CO 0.15 -1.29 1.02 -1.21 -4.62 0.00 0.00 176.95 170.99 2bol s GLU 23 N -4.64 3.94 0.37 5.86 2.02 -1.26 -5.03 118.70 119.97 2bol s GLU 23 Ca 0.61 -2.80 -0.28 0.00 0.02 0.00 0.00 54.97 52.51 2bol s GLU 23 Cb -0.15 -4.58 -0.11 0.00 0.10 0.00 0.00 34.13 29.39 2bol s GLU 23 CO 0.48 -1.34 1.44 -0.06 0.02 0.00 0.00 175.26 175.80 2bol s PHE 24 N -0.25 2.69 0.25 1.61 0.08 -1.26 -4.91 117.98 116.18 2bol s PHE 24 Ca 0.27 1.23 -0.05 0.00 0.12 0.00 0.00 56.93 58.50 2bol s PHE 24 Cb -0.09 -3.94 0.47 0.00 -0.57 0.00 0.00 43.02 38.89 2bol s PHE 24 CO -0.08 -2.72 1.66 -1.35 -0.10 0.00 0.00 175.22 172.64 2bol h PRO 25 N 3.05 0.19 0.00 0.24 0.11 -2.00 -0.45 132.00 133.15 2bol h PRO 25 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bol h PRO 25 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bol h PRO 25 CO 0.64 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 2bol n GLN 26 N -5.23 0.18 0.00 1.05 0.00 -1.26 -1.37 117.38 110.75 2bol n GLN 26 Ca 0.14 0.17 0.15 0.00 0.00 0.00 0.00 57.00 57.46 2bol n GLN 26 Cb 0.48 -1.50 0.80 0.00 0.00 0.00 0.00 30.24 30.02 2bol n GLN 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2bol n MET 27 N -1.30 0.75 -0.71 2.61 2.81 -0.18 -3.01 117.12 118.09 2bol n MET 27 Ca 0.06 -0.08 0.06 0.00 -1.81 0.00 0.00 57.70 55.93 2bol n MET 27 Cb 0.11 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.26 2bol n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2bol n ALA 28 N -1.06 3.00 -2.41 3.04 0.00 -0.47 -4.87 120.51 117.75 2bol n ALA 28 Ca 0.18 -2.80 -0.12 0.00 0.00 0.00 0.00 53.44 50.70 2bol n ALA 28 Cb 0.20 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.09 2bol n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bol s LEU 29 N -2.18 2.43 0.23 0.00 1.43 -1.16 -4.68 118.68 114.74 2bol s LEU 29 Ca 0.33 -0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 2bol s LEU 29 Cb 0.33 -0.16 -0.10 0.00 0.03 0.00 0.00 46.19 46.29 2bol s LEU 29 CO -0.07 -0.35 1.53 -0.69 0.23 0.00 0.00 176.35 176.99 2bol s VAL 30 N -2.81 2.48 0.15 -1.59 1.01 -0.25 -4.89 120.40 114.50 2bol s VAL 30 Ca 0.05 0.38 -0.34 0.00 0.00 0.00 0.00 61.98 62.08 2bol s VAL 30 Cb -0.00 -3.24 -0.16 0.00 0.00 0.00 0.00 36.38 32.97 2bol s VAL 30 CO -0.02 0.05 1.26 -2.65 0.00 0.00 0.00 175.10 173.73 2bol n PRO 31 N 2.89 1.26 -0.31 2.72 -0.02 -1.26 -4.73 135.00 135.55 2bol n PRO 31 Ca 0.10 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 62.00 2bol n PRO 31 Cb 0.39 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 2bol n PRO 31 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2bol h LEU 32 N 3.94 -1.34 -0.86 2.45 5.85 -1.96 -0.81 115.31 122.58 2bol h LEU 32 Ca -0.45 0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.64 2bol h LEU 32 Cb 1.33 0.69 -0.07 0.00 0.37 0.00 0.00 40.66 42.98 2bol h LEU 32 CO 0.74 -0.30 0.51 -2.24 -0.34 0.00 0.00 178.44 176.81 2bol h ASP 33 N -0.07 0.75 -0.54 1.25 3.04 -1.99 0.16 116.42 119.02 2bol h ASP 33 Ca 0.29 0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 54.11 2bol h ASP 33 Cb 0.58 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 38.73 2bol h ASP 33 CO -0.86 0.43 0.28 1.56 -2.04 0.00 0.00 179.24 178.62 2bol h GLN 34 N 0.86 0.76 -0.35 4.15 1.08 -1.52 -0.57 115.11 119.51 2bol h GLN 34 Ca 0.41 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.44 2bol h GLN 34 Cb 0.34 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2bol h GLN 34 CO -0.23 0.60 -0.04 0.28 -0.95 0.00 0.00 178.83 178.49 2bol h VAL 35 N 0.72 1.27 0.46 -0.54 2.07 -0.70 -1.76 116.25 117.77 2bol h VAL 35 Ca 0.19 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2bol h VAL 35 Cb 0.07 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2bol h VAL 35 CO -0.03 0.35 -0.33 0.15 0.02 0.00 0.00 177.57 177.73 2bol h PHE 36 N 0.45 -0.89 -0.80 1.57 3.57 -0.77 -1.83 116.94 118.25 2bol h PHE 36 Ca 0.10 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2bol h PHE 36 Cb 0.52 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 2bol h PHE 36 CO 0.04 -0.49 0.52 -0.44 -2.23 0.00 0.00 178.31 175.71 2bol h ASP 37 N -0.78 0.77 0.49 0.41 5.19 -1.13 -1.57 116.42 119.81 2bol h ASP 37 Ca -0.05 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 2bol h ASP 37 Cb 0.66 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2bol h ASP 37 CO 0.02 0.50 -0.24 -0.25 -3.12 0.00 0.00 179.24 176.15 2bol h TRP 38 N 0.88 -0.61 -0.85 4.55 7.01 -0.95 -2.01 115.95 123.97 2bol h TRP 38 Ca 0.34 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.33 2bol h TRP 38 Cb 0.20 0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 2bol h TRP 38 CO -0.00 -0.36 0.55 0.00 -2.79 0.00 0.00 178.44 175.84 2bol h ALA 39 N -0.22 1.36 0.56 2.65 0.00 -1.19 0.13 119.26 122.56 2bol h ALA 39 Ca -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2bol h ALA 39 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2bol h ALA 39 CO 0.11 0.58 -0.39 1.49 0.00 0.00 0.00 179.25 181.04 2bol h GLU 40 N 1.16 -0.88 0.00 0.00 4.81 -1.10 -2.48 114.58 116.10 2bol h GLU 40 Ca 0.31 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2bol h GLU 40 Cb -0.11 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2bol h GLU 40 CO -0.06 -0.59 -0.31 0.07 -0.73 0.00 0.00 179.01 177.39 2bol h ARG 41 N -0.91 0.00 -0.49 1.92 0.11 -1.26 -3.20 114.38 110.55 2bol h ARG 41 Ca -0.07 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 2bol h ARG 41 Cb 0.76 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.81 2bol h ARG 41 CO 0.04 0.31 0.02 0.77 0.10 0.00 0.00 179.97 181.22 2bol h SER 42 N 0.00 0.76 0.73 0.08 0.02 -0.56 -2.28 113.55 112.30 2bol h SER 42 Ca -0.00 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.59 2bol h SER 42 Cb 1.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2bol h SER 42 CO 0.04 0.82 -0.86 0.08 -1.14 0.00 0.00 176.83 175.77 2bol h ARG 43 N 0.75 0.08 0.00 3.45 0.11 -1.47 -0.46 114.38 116.84 2bol h ARG 43 Ca 0.15 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2bol h ARG 43 Cb 0.42 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2bol h ARG 43 CO 0.02 0.88 0.00 1.96 0.10 0.00 0.00 179.97 182.93 2bol h GLN 44 N 0.04 0.00 0.00 0.08 4.20 -1.42 -2.99 115.11 115.02 2bol h GLN 44 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2bol h GLN 44 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 2bol h GLN 44 CO 0.12 0.00 -0.12 -1.13 -0.67 0.00 0.00 178.83 177.03 2bol n SER 45 N -2.43 0.78 -0.26 1.46 3.41 -0.93 -4.89 113.62 110.77 2bol n SER 45 Ca 0.00 -1.77 0.01 0.00 -0.26 0.00 0.00 58.87 56.85 2bol n SER 45 Cb 0.15 -0.11 0.08 0.00 -0.26 0.00 0.00 64.21 64.07 2bol n SER 45 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2bol h LEU 46 N 0.00 -0.78 0.04 1.04 5.85 -0.93 -1.16 115.31 119.38 2bol h LEU 46 Ca 0.00 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2bol h LEU 46 Cb 0.99 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2bol h LEU 46 CO 0.00 -0.26 -0.22 -0.74 -0.34 0.00 0.00 178.44 176.88 2bol h HIS 47 N -0.02 -0.63 -0.58 1.25 2.76 -1.88 -0.15 115.15 115.90 2bol h HIS 47 Ca 0.35 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.63 2bol h HIS 47 Cb 0.55 0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.71 2bol h HIS 47 CO -0.61 -0.24 0.19 -0.44 -1.30 0.00 0.00 177.93 175.53 2bol h ASP 48 N -0.31 0.17 -0.55 3.26 5.19 -1.88 -1.35 116.42 120.95 2bol h ASP 48 Ca -0.00 0.08 0.09 0.00 -0.62 0.00 0.00 57.03 56.58 2bol h ASP 48 Cb 0.31 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 39.82 2bol h ASP 48 CO -0.12 0.11 0.16 0.44 -3.12 0.00 0.00 179.24 176.70 2bol h ASP 49 N 0.36 0.10 -0.33 6.45 3.32 -0.92 -0.47 116.42 124.93 2bol h ASP 49 Ca 0.29 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.36 2bol h ASP 49 Cb 0.37 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2bol h ASP 49 CO -0.31 0.08 0.00 0.40 -1.72 0.00 0.00 179.24 177.69 2bol h ILE 50 N 0.32 1.23 0.78 0.35 1.08 -0.10 -1.27 117.51 119.89 2bol h ILE 50 Ca 0.28 -0.92 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 2bol h ILE 50 Cb 0.36 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2bol h ILE 50 CO -0.32 0.32 -0.44 0.58 -0.69 0.00 0.00 178.15 177.60 2bol h VAL 51 N 0.65 0.11 -0.93 1.67 2.07 -0.08 -2.48 116.25 117.26 2bol h VAL 51 Ca 0.13 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.78 2bol h VAL 51 Cb 0.40 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 2bol h VAL 51 CO 0.01 0.00 0.59 0.78 0.02 0.00 0.00 177.57 178.98 2bol h ASN 52 N -1.13 0.78 0.24 0.57 2.35 -1.10 -1.55 115.58 115.75 2bol h ASN 52 Ca -0.10 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2bol h ASN 52 Cb 0.89 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2bol h ASN 52 CO 0.13 0.42 -0.16 0.24 -1.65 0.00 0.00 177.43 176.41 2bol h MET 53 N 0.84 -0.39 -0.75 0.81 2.86 -1.03 -0.39 114.93 116.88 2bol h MET 53 Ca 0.46 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 58.13 2bol h MET 53 Cb 0.57 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 2bol h MET 53 CO -0.22 -0.26 0.49 0.45 1.06 0.00 0.00 176.91 178.43 2bol h HIS 54 N -0.40 0.94 0.00 -0.22 3.86 -0.98 -0.35 115.15 118.00 2bol h HIS 54 Ca -0.02 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bol h HIS 54 Cb 0.35 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2bol h HIS 54 CO -0.10 0.60 0.00 0.54 0.86 0.00 0.00 177.93 179.83 2bol n ARG 55 N -4.42 0.04 -0.11 2.45 1.74 -0.63 -3.32 116.66 112.42 2bol n ARG 55 Ca 0.08 0.18 0.07 0.00 -0.77 0.00 0.00 57.85 57.41 2bol n ARG 55 Cb 0.03 -1.56 0.10 0.00 -1.02 0.00 0.00 32.46 30.02 2bol n ARG 55 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2bol n ASN 56 N -1.63 1.99 -4.76 0.55 3.02 -0.20 -5.06 115.26 109.18 2bol n ASN 56 Ca 0.05 -2.77 -0.38 0.00 -0.03 0.00 0.00 54.58 51.44 2bol n ASN 56 Cb 0.25 -0.33 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 2bol n ASN 56 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bol s LEU 57 N -2.23 3.94 0.41 3.41 1.43 -0.72 -4.98 118.68 119.95 2bol s LEU 57 Ca 0.23 2.69 -0.23 0.00 -1.03 0.00 0.00 54.13 55.79 2bol s LEU 57 Cb 0.20 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 2bol s LEU 57 CO 0.02 -1.34 1.03 -0.36 0.23 0.00 0.00 176.35 175.93 2bol s PHE 58 N -1.33 3.24 0.28 0.29 0.08 -1.05 -4.70 117.98 114.78 2bol s PHE 58 Ca 0.68 1.64 0.09 0.00 0.12 0.00 0.00 56.93 59.45 2bol s PHE 58 Cb -0.38 -3.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.94 2bol s PHE 58 CO 0.46 -0.58 0.02 -1.54 -0.10 0.00 0.00 175.22 173.48 2bol s SER 59 N -1.70 4.57 -0.10 1.36 1.04 -1.26 0.81 113.70 118.42 2bol s SER 59 Ca 0.60 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 2bol s SER 59 Cb -0.20 -0.83 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 2bol s SER 59 CO 0.25 -0.05 0.28 -0.76 0.98 0.00 0.00 173.24 173.94 2bol s LEU 60 N -3.70 4.36 0.25 2.42 1.43 -1.26 -4.72 118.68 117.45 2bol s LEU 60 Ca 0.32 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 2bol s LEU 60 Cb -0.06 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 2bol s LEU 60 CO 0.20 0.26 -0.01 -1.61 0.23 0.00 0.00 176.35 175.42 2bol s GLU 61 N -0.46 1.41 -0.43 1.70 0.41 0.21 -4.67 118.70 116.87 2bol s GLU 61 Ca 0.18 -1.72 -0.42 0.00 -0.41 0.00 0.00 54.97 52.61 2bol s GLU 61 Cb -0.14 -0.76 -0.17 0.00 -1.78 0.00 0.00 34.13 31.29 2bol s GLU 61 CO 0.07 -0.07 2.01 -2.30 -0.49 0.00 0.00 175.26 174.48 2bol n PRO 62 N -0.47 0.46 -0.13 0.39 -0.02 -1.26 -0.03 135.00 133.94 2bol n PRO 62 Ca -0.05 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 2bol n PRO 62 Cb 0.64 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 2bol n PRO 62 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2bol h PHE 63 N 9.00 -1.56 -0.16 6.00 3.57 -1.32 -0.05 116.94 132.42 2bol h PHE 63 Ca -0.25 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.38 2bol h PHE 63 Cb 1.37 0.73 -0.06 0.00 2.79 0.00 0.00 35.95 40.78 2bol h PHE 63 CO 0.89 -0.48 -0.27 1.15 -2.23 0.00 0.00 178.31 177.37 2bol h THR 64 N -0.38 0.37 0.25 4.41 2.02 -1.87 -0.30 112.91 117.40 2bol h THR 64 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2bol h THR 64 Cb 0.60 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2bol h THR 64 CO -0.59 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 174.95 2bol h ALA 65 N 0.61 -0.69 -0.74 6.16 0.00 -1.85 -1.40 119.26 121.34 2bol h ALA 65 Ca 0.11 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2bol h ALA 65 Cb 0.49 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2bol h ALA 65 CO -0.34 -0.94 0.26 1.98 0.00 0.00 0.00 179.25 180.21 2bol h MET 66 N -0.67 0.38 -0.50 0.00 -1.53 -0.77 -0.13 114.93 111.71 2bol h MET 66 Ca -0.00 -0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.15 2bol h MET 66 Cb 0.64 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 2bol h MET 66 CO -0.13 0.25 -0.05 0.22 0.14 0.00 0.00 176.91 177.34 2bol h ASP 67 N 0.39 0.86 -0.52 1.39 3.58 -0.73 -1.16 116.42 120.23 2bol h ASP 67 Ca 0.41 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2bol h ASP 67 Cb 0.65 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2bol h ASP 67 CO -0.43 0.95 0.18 0.78 -2.88 0.00 0.00 179.24 177.84 2bol h ASN 68 N 0.80 0.74 -0.91 2.28 2.35 -0.06 -1.96 115.58 118.81 2bol h ASN 68 Ca 0.14 -0.19 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 2bol h ASN 68 Cb 0.55 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.67 2bol h ASN 68 CO 0.03 0.73 0.59 0.00 -1.65 0.00 0.00 177.43 177.14 2bol h ALA 69 N 1.03 1.49 -0.36 -0.83 0.00 -0.65 0.01 119.26 119.95 2bol h ALA 69 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2bol h ALA 69 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2bol h ALA 69 CO -0.01 0.38 -0.13 0.35 0.00 0.00 0.00 179.25 179.85 2bol h PHE 70 N 1.06 0.82 -0.53 0.00 3.57 -0.82 -0.90 116.94 120.14 2bol h PHE 70 Ca 0.39 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 2bol h PHE 70 Cb 0.16 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2bol h PHE 70 CO -0.00 0.90 0.06 0.93 -2.23 0.00 0.00 178.31 177.96 2bol h GLU 71 N 0.51 0.85 0.29 1.11 4.39 -0.81 -1.66 114.58 119.26 2bol h GLU 71 Ca 0.09 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2bol h GLU 71 Cb 0.66 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2bol h GLU 71 CO 0.04 0.82 -0.14 1.03 -1.16 0.00 0.00 179.01 179.60 2bol h SER 72 N 0.80 -0.33 -0.81 1.42 0.87 -0.75 -0.36 113.55 114.40 2bol h SER 72 Ca 0.16 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2bol h SER 72 Cb 0.40 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 2bol h SER 72 CO 0.01 -0.19 0.53 0.58 -0.53 0.00 0.00 176.83 177.24 2bol h VAL 73 N -0.45 1.05 -0.01 2.23 2.07 -0.97 -0.08 116.25 120.09 2bol h VAL 73 Ca -0.04 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 2bol h VAL 73 Cb 0.34 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2bol h VAL 73 CO 0.07 0.16 -0.68 0.24 0.02 0.00 0.00 177.57 177.38 2bol h MET 74 N 0.90 0.07 -0.07 1.57 2.07 -1.10 -2.33 114.93 116.04 2bol h MET 74 Ca 0.35 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.88 2bol h MET 74 Cb 0.21 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.95 2bol h MET 74 CO -0.12 0.72 -0.10 -0.22 1.07 0.00 0.00 176.91 178.25 2bol h LYS 75 N 0.05 0.19 -0.49 1.72 3.64 -0.04 -2.12 116.57 119.52 2bol h LYS 75 Ca -0.01 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2bol h LYS 75 Cb 1.20 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 2bol h LYS 75 CO 0.09 0.68 0.25 1.49 -2.27 0.00 0.00 179.45 179.69 2bol h GLU 76 N -0.29 0.48 -0.88 1.90 4.81 -1.08 -2.57 114.58 116.95 2bol h GLU 76 Ca 0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2bol h GLU 76 Cb 0.66 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2bol h GLU 76 CO 0.02 0.32 0.58 1.98 -0.73 0.00 0.00 179.01 181.18 2bol h MET 77 N 0.49 1.14 0.00 1.92 4.05 -1.38 -1.75 114.93 119.41 2bol h MET 77 Ca 0.21 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2bol h MET 77 Cb 0.11 -0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 2bol h MET 77 CO -0.14 0.75 -0.00 0.66 0.23 0.00 0.00 176.91 178.40 2bol h SER 78 N 1.17 0.00 -0.15 1.39 4.64 -0.97 -1.03 113.55 118.61 2bol h SER 78 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2bol h SER 78 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2bol h SER 78 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2bol n ALA 79 N -2.15 2.52 -1.98 5.18 0.00 -0.66 -4.84 120.51 118.58 2bol n ALA 79 Ca -0.03 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 2bol n ALA 79 Cb 0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 2bol n ALA 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bol s ILE 80 N -1.80 3.73 -0.35 0.00 1.01 -0.39 -4.99 121.20 118.40 2bol s ILE 80 Ca 0.28 1.54 -0.20 0.00 0.00 0.00 0.00 60.65 62.27 2bol s ILE 80 Cb 0.14 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2bol s ILE 80 CO 0.22 0.29 0.62 -1.10 0.00 0.00 0.00 174.94 174.97 2bol s GLN 81 N -0.62 3.68 0.22 2.79 -1.52 -1.26 -4.20 119.66 118.74 2bol s GLN 81 Ca 0.49 0.04 -0.32 0.00 -1.95 0.00 0.00 55.36 53.62 2bol s GLN 81 Cb -0.30 -3.81 -0.14 0.00 -0.22 0.00 0.00 33.01 28.54 2bol s GLN 81 CO 0.37 -0.72 1.32 -0.35 -0.25 0.00 0.00 175.29 175.65 2bol n PRO 82 N 6.00 1.72 -3.61 2.91 -0.04 -1.26 -4.89 135.00 135.84 2bol n PRO 82 Ca -0.02 0.61 -0.05 0.00 -0.04 0.00 0.00 63.50 64.01 2bol n PRO 82 Cb 0.49 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 2bol n PRO 82 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2bol s ARG 83 N -0.41 0.76 0.41 0.54 1.70 -0.89 -4.99 118.95 116.06 2bol s ARG 83 Ca 0.70 -0.35 -0.15 0.00 -0.47 0.00 0.00 55.73 55.46 2bol s ARG 83 Cb -0.72 0.30 -0.08 0.00 -0.57 0.00 0.00 34.95 33.88 2bol s ARG 83 CO 0.51 -0.34 0.83 -2.00 -1.08 0.00 0.00 175.30 173.22 2bol s GLU 84 N -2.92 3.95 0.11 3.89 2.12 -1.26 -0.46 118.70 124.13 2bol s GLU 84 Ca 0.09 0.73 -0.11 0.00 0.36 0.00 0.00 54.97 56.04 2bol s GLU 84 Cb -0.00 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 32.08 2bol s GLU 84 CO -0.04 -0.03 0.27 -0.59 -0.54 0.00 0.00 175.26 174.32 2bol s PHE 85 N -2.29 0.08 -0.30 5.30 -0.12 -0.19 -4.88 117.98 115.58 2bol s PHE 85 Ca 0.55 -0.47 -0.29 0.00 -0.05 0.00 0.00 56.93 56.68 2bol s PHE 85 Cb -0.10 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 2bol s PHE 85 CO 0.25 -0.62 1.46 -1.58 -0.05 0.00 0.00 175.22 174.67 2bol s HIS 86 N -3.86 2.38 0.59 3.49 5.65 -1.26 -3.81 115.29 118.47 2bol s HIS 86 Ca 0.06 0.71 0.29 0.00 0.25 0.00 0.00 55.06 56.37 2bol s HIS 86 Cb 0.04 -4.03 1.73 0.00 -1.18 0.00 0.00 32.58 29.14 2bol s HIS 86 CO -0.10 -2.24 2.17 -1.00 -0.65 0.00 0.00 174.74 172.92 2bol h PRO 87 N 10.30 0.00 0.00 2.88 0.13 -1.84 -0.26 132.00 143.21 2bol h PRO 87 Ca -0.29 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2bol h PRO 87 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2bol h PRO 87 CO 1.03 0.00 -1.97 0.39 -0.23 0.00 0.00 178.00 177.22 2bol n GLU 88 N -3.81 0.66 -0.00 0.86 1.02 -1.26 -4.60 120.64 113.51 2bol n GLU 88 Ca -0.00 -0.13 0.05 0.00 -0.02 0.00 0.00 57.16 57.06 2bol n GLU 88 Cb 0.22 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 2bol n GLU 88 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2bol n LEU 89 N -2.40 0.28 -4.43 -4.62 4.77 -1.07 -4.90 117.00 104.63 2bol n LEU 89 Ca -0.09 -0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.34 2bol n LEU 89 Cb 0.68 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 2bol n LEU 89 CO 0.45 0.07 -0.51 -1.61 -1.33 0.00 0.00 177.39 174.46 2bol s GLU 90 N -2.27 1.56 -1.53 3.23 2.02 -0.13 -4.66 118.70 116.92 2bol s GLU 90 Ca 0.01 -1.60 -0.14 0.00 0.02 0.00 0.00 54.97 53.26 2bol s GLU 90 Cb 0.07 -1.79 0.10 0.00 0.10 0.00 0.00 34.13 32.61 2bol s GLU 90 CO 0.42 0.37 0.80 0.66 0.02 0.00 0.00 175.26 177.53 2bol n TYR 91 N -0.01 -2.00 0.20 1.61 4.01 -1.26 -4.72 117.16 114.99 2bol n TYR 91 Ca -0.10 0.76 0.09 0.00 -0.16 0.00 0.00 57.90 58.49 2bol n TYR 91 Cb 0.57 -3.43 0.21 0.00 -0.31 0.00 0.00 39.34 36.38 2bol n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bol h THR 92 N -1.62 0.36 -3.78 -0.72 1.03 -1.91 -3.46 112.91 102.82 2bol h THR 92 Ca -0.55 -1.38 -0.48 0.00 -0.01 0.00 0.00 66.41 63.99 2bol h THR 92 Cb 1.36 2.07 -0.02 0.00 -1.07 0.00 0.00 68.15 70.48 2bol h THR 92 CO 0.67 0.19 0.14 -1.10 -0.01 0.00 0.00 175.52 175.41 2bol s GLN 93 N -3.23 4.03 0.16 0.00 -1.52 -1.26 -5.00 119.66 112.84 2bol s GLN 93 Ca 0.05 0.73 -0.32 0.00 -1.95 0.00 0.00 55.36 53.87 2bol s GLN 93 Cb 0.07 -2.39 -0.12 0.00 -0.22 0.00 0.00 33.01 30.35 2bol s GLN 93 CO 0.68 0.12 1.73 -0.35 -0.25 0.00 0.00 175.29 177.22 2bol n PRO 94 N -0.45 2.63 -2.94 2.91 -0.04 -1.26 -4.99 135.00 130.86 2bol n PRO 94 Ca 0.04 0.95 -0.20 0.00 -0.04 0.00 0.00 63.50 64.26 2bol n PRO 94 Cb 0.53 -2.80 0.02 0.00 -0.04 0.00 0.00 33.50 31.21 2bol n PRO 94 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2bol s GLY 95 N 1.67 1.80 0.19 0.55 0.00 -1.26 -5.03 107.32 105.25 2bol s GLY 95 Ca 0.78 -1.43 -0.08 0.00 0.00 0.00 0.00 44.72 43.99 2bol s GLY 95 CO 0.36 -1.23 1.68 0.83 0.00 0.00 0.00 173.10 174.74 2bol h GLU 96 N 0.43 1.09 -0.70 2.90 4.39 -2.00 -3.09 114.58 117.60 2bol h GLU 96 Ca -0.42 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 58.97 2bol h GLU 96 Cb 1.28 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2bol h GLU 96 CO 0.50 1.02 0.00 1.28 -1.16 0.00 0.00 179.01 180.65 2bol n LEU 97 N -4.20 4.51 0.25 1.33 4.77 -1.26 -4.49 117.00 117.92 2bol n LEU 97 Ca 0.04 -2.27 0.17 0.00 -0.03 0.00 0.00 56.01 53.92 2bol n LEU 97 Cb 0.31 -0.55 0.83 0.00 -2.33 0.00 0.00 43.42 41.68 2bol n LEU 97 CO 0.43 0.88 1.01 0.44 -1.33 0.00 0.00 177.39 178.83 2bol h ASP 98 N 4.25 0.00 0.39 -1.43 5.19 -1.82 -2.60 116.42 120.39 2bol h ASP 98 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2bol h ASP 98 Cb 1.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 2bol h ASP 98 CO 0.15 0.00 -0.21 2.19 -3.12 0.00 0.00 179.24 178.25 2bol h PHE 99 N 0.00 0.00 -0.15 4.55 -5.15 -1.82 -2.75 116.94 111.61 2bol h PHE 99 Ca 0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 2bol h PHE 99 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 2bol h PHE 99 CO 0.00 0.21 0.17 -0.07 -2.00 0.00 0.00 178.31 176.62 2bol h LEU 100 N 0.00 0.00 -2.19 2.10 3.38 -1.83 -0.86 115.31 115.91 2bol h LEU 100 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bol h LEU 100 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2bol h LEU 100 CO 0.03 0.00 -0.05 0.50 0.09 0.00 0.00 178.44 179.01 2bol h LYS 101 N 0.00 0.00 0.00 1.13 3.64 -1.71 -2.94 116.57 116.69 2bol h LYS 101 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2bol h LYS 101 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2bol h LYS 101 CO -0.00 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 176.98 2bol n ASP 102 N -3.38 1.76 0.00 4.20 8.00 -0.37 -3.37 116.55 123.40 2bol n ASP 102 Ca -0.02 -1.80 0.12 0.00 0.71 0.00 0.00 54.79 53.80 2bol n ASP 102 Cb 0.19 0.00 0.55 0.00 -0.02 0.00 0.00 41.12 41.84 2bol n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bol n ALA 103 N -0.40 2.14 -2.72 2.24 0.00 -0.98 -4.79 120.51 116.00 2bol n ALA 103 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2bol n ALA 103 Cb 0.22 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 2bol n ALA 103 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2bol s TYR 104 N -2.82 3.47 -0.07 0.00 2.02 -1.26 0.13 117.35 118.82 2bol s TYR 104 Ca 0.16 0.63 -0.31 0.00 -0.37 0.00 0.00 57.07 57.19 2bol s TYR 104 Cb 0.16 -2.37 0.07 0.00 -0.40 0.00 0.00 41.96 39.43 2bol s TYR 104 CO 0.40 0.23 0.71 -2.00 -1.57 0.00 0.00 175.55 173.32 2bol s GLU 105 N 0.47 1.01 0.49 -0.62 2.12 0.09 -4.91 118.70 117.36 2bol s GLU 105 Ca 0.18 0.28 -0.22 0.00 0.36 0.00 0.00 54.97 55.57 2bol s GLU 105 Cb -0.13 0.48 -0.06 0.00 0.26 0.00 0.00 34.13 34.67 2bol s GLU 105 CO 0.05 -0.31 1.21 0.54 -0.54 0.00 0.00 175.26 176.21 2bol s VAL 106 N -1.11 2.83 0.43 3.70 0.11 -1.26 0.74 120.40 125.84 2bol s VAL 106 Ca -0.10 0.61 0.07 0.00 -2.93 0.00 0.00 61.98 59.63 2bol s VAL 106 Cb -0.00 -3.30 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 2bol s VAL 106 CO 0.09 -0.02 0.32 -0.83 -3.33 0.00 0.00 175.10 171.33 2bol s GLY 107 N -1.29 2.24 0.53 6.54 0.00 -0.24 -4.79 107.32 110.31 2bol s GLY 107 Ca 0.67 -1.88 0.22 0.00 0.00 0.00 0.00 44.72 43.72 2bol s GLY 107 CO 0.37 -1.80 2.15 0.50 0.00 0.00 0.00 173.10 174.32 2bol h LYS 108 N 1.12 0.00 0.00 2.90 1.57 -1.97 0.10 116.57 120.30 2bol h LYS 108 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2bol h LYS 108 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2bol h LYS 108 CO 0.62 0.05 0.00 -0.40 -0.57 0.00 0.00 179.45 179.14 2bol n ASP 109 N -4.14 0.00 0.00 0.86 5.75 -1.26 -4.87 116.55 112.89 2bol n ASP 109 Ca -0.03 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2bol n ASP 109 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2bol n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bol n GLY 110 N 0.58 0.95 3.94 6.12 0.00 0.36 -5.02 105.19 112.11 2bol n GLY 110 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2bol n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bol s ARG 111 N -0.01 3.02 0.06 1.61 0.52 -1.26 -1.10 118.95 121.80 2bol s ARG 111 Ca 0.00 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 2bol s ARG 111 Cb 0.00 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 2bol s ARG 111 CO 0.00 -0.44 1.06 -1.17 0.02 0.00 0.00 175.30 174.77 2bol s LEU 112 N -4.73 4.41 0.24 2.53 2.96 -1.26 -1.08 118.68 121.74 2bol s LEU 112 Ca 0.51 1.84 0.11 0.00 -0.22 0.00 0.00 54.13 56.37 2bol s LEU 112 Cb -0.10 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2bol s LEU 112 CO 0.41 -0.28 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.96 2bol s HIS 113 N 0.70 2.36 -0.25 5.38 3.76 0.23 -1.13 115.29 126.34 2bol s HIS 113 Ca 0.53 -0.32 -0.08 0.00 -0.15 0.00 0.00 55.06 55.03 2bol s HIS 113 Cb -0.25 -1.09 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 2bol s HIS 113 CO 0.30 0.61 0.09 0.12 -0.85 0.00 0.00 174.74 175.01 2bol s PHE 114 N -2.09 3.13 -0.05 1.40 5.36 0.10 -0.73 117.98 125.10 2bol s PHE 114 Ca 0.26 -0.25 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 2bol s PHE 114 Cb -0.07 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 2bol s PHE 114 CO 0.13 -0.25 -0.08 0.15 -1.46 0.00 0.00 175.22 173.72 2bol s LYS 115 N 1.47 1.21 0.00 10.12 1.02 0.34 -1.79 119.74 132.11 2bol s LYS 115 Ca 0.06 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.84 2bol s LYS 115 Cb -0.15 -1.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.06 2bol s LYS 115 CO 0.05 -0.04 -0.10 0.14 -0.92 0.00 0.00 175.35 174.48 2bol s VAL 116 N 0.83 0.76 -0.04 3.17 -7.23 -0.59 -4.51 120.40 112.79 2bol s VAL 116 Ca -0.12 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 2bol s VAL 116 Cb -0.15 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2bol s VAL 116 CO 0.01 0.13 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.50 2bol s TYR 117 N -0.40 2.76 -0.03 2.82 2.02 -1.26 -1.57 117.35 121.69 2bol s TYR 117 Ca 0.02 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2bol s TYR 117 Cb -0.05 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2bol s TYR 117 CO -0.00 0.24 -0.09 -0.06 -1.57 0.00 0.00 175.55 174.07 2bol s PHE 118 N -0.79 1.04 -0.13 2.71 0.08 -0.40 -2.54 117.98 117.96 2bol s PHE 118 Ca 0.12 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2bol s PHE 118 Cb -0.11 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 2bol s PHE 118 CO 0.02 -0.14 1.35 1.21 -0.10 0.00 0.00 175.22 177.56 2bol s ASN 119 N 0.34 6.89 -0.11 1.36 3.84 0.24 -0.78 114.94 126.71 2bol s ASN 119 Ca -0.06 1.83 0.18 0.00 0.21 0.00 0.00 52.86 55.02 2bol s ASN 119 Cb -0.10 -2.54 0.41 0.00 -0.55 0.00 0.00 41.25 38.46 2bol s ASN 119 CO 0.01 -0.79 1.19 0.55 -2.79 0.00 0.00 177.10 175.27 2bol n VAL 120 N 5.33 1.12 -0.89 -5.21 3.14 -1.05 -4.28 118.33 116.49 2bol n VAL 120 Ca 0.14 -2.09 -0.33 0.00 -2.96 0.00 0.00 64.34 59.10 2bol n VAL 120 Cb 0.44 0.35 0.12 0.00 -1.06 0.00 0.00 33.84 33.69 2bol n VAL 120 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2bol n LYS 121 N -0.35 -0.17 -2.11 1.45 4.81 -1.26 -2.76 118.16 117.77 2bol n LYS 121 Ca 0.12 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.37 2bol n LYS 121 Cb 0.90 -1.98 -0.03 0.00 0.02 0.00 0.00 35.03 33.94 2bol n LYS 121 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2bol n ASN 122 N -1.74 -5.48 -3.80 3.14 3.02 -1.26 -4.99 115.26 104.15 2bol n ASN 122 Ca 0.09 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 2bol n ASN 122 Cb 0.52 -4.58 -0.14 0.00 -0.61 0.00 0.00 39.78 34.98 2bol n ASN 122 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2bol s PHE 123 N -2.89 -0.11 0.21 3.10 0.40 -1.11 -5.06 117.98 112.52 2bol s PHE 123 Ca 0.00 0.32 -0.19 0.00 -0.60 0.00 0.00 56.93 56.46 2bol s PHE 123 Cb 0.00 -0.05 -0.08 0.00 0.51 0.00 0.00 43.02 43.40 2bol s PHE 123 CO 0.00 -0.10 0.70 0.15 0.70 0.00 0.00 175.22 176.67 2bol s LYS 124 N 0.61 4.20 0.61 0.44 1.02 -1.26 -4.94 119.74 120.42 2bol s LYS 124 Ca -0.05 0.80 0.28 0.00 0.02 0.00 0.00 55.97 57.03 2bol s LYS 124 Cb -0.06 -2.88 1.45 0.00 -0.52 0.00 0.00 37.83 35.82 2bol s LYS 124 CO -0.03 0.40 1.85 0.00 -0.92 0.00 0.00 175.35 176.65 2bol h ALA 125 N 3.41 1.99 0.00 5.17 0.00 -1.97 0.14 119.26 128.01 2bol h ALA 125 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bol h ALA 125 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bol h ALA 125 CO 0.65 -0.67 -0.30 0.93 0.00 0.00 0.00 179.25 179.86 2bol h GLU 126 N 0.00 0.00 -0.00 0.00 3.07 -2.01 -3.24 114.58 112.40 2bol h GLU 126 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2bol h GLU 126 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2bol h GLU 126 CO -0.00 0.00 -0.28 0.39 -1.40 0.00 0.00 179.01 177.71 2bol n GLU 127 N -2.56 0.07 -3.85 2.33 1.02 0.50 -4.87 120.64 113.29 2bol n GLU 127 Ca 0.04 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 2bol n GLU 127 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 2bol n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2bol s ILE 128 N -2.95 5.31 -0.01 -3.67 1.01 -1.22 -2.43 121.20 117.24 2bol s ILE 128 Ca 0.14 0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2bol s ILE 128 Cb 0.18 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2bol s ILE 128 CO 0.62 0.51 -0.23 -0.89 0.00 0.00 0.00 174.94 174.95 2bol s THR 129 N -0.17 1.79 -0.06 2.92 2.01 -0.30 -5.00 115.64 116.85 2bol s THR 129 Ca 0.10 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.11 2bol s THR 129 Cb -0.12 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.92 2bol s THR 129 CO 0.00 0.48 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.70 2bol s ILE 130 N -0.56 0.83 0.04 1.82 1.01 -1.26 -1.19 121.20 121.89 2bol s ILE 130 Ca 0.09 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 2bol s ILE 130 Cb -0.09 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.60 2bol s ILE 130 CO -0.01 0.29 0.27 -1.59 0.00 0.00 0.00 174.94 173.90 2bol s LYS 131 N 0.80 0.77 -0.29 2.79 -2.85 -0.62 -5.01 119.74 115.34 2bol s LYS 131 Ca -0.13 -0.56 -0.04 0.00 -1.00 0.00 0.00 55.97 54.24 2bol s LYS 131 Cb -0.15 0.33 0.02 0.00 -2.06 0.00 0.00 37.83 35.97 2bol s LYS 131 CO 0.02 -0.24 0.03 0.00 0.10 0.00 0.00 175.35 175.26 2bol s ALA 132 N -2.59 2.92 -0.30 0.59 0.00 -1.26 -0.83 121.76 120.29 2bol s ALA 132 Ca -0.05 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 2bol s ALA 132 Cb -0.01 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.17 2bol s ALA 132 CO -0.04 -1.00 -0.01 0.34 0.00 0.00 0.00 175.76 175.06 2bol s ASP 133 N 1.40 4.85 1.71 0.00 2.15 -0.66 -4.98 116.67 121.14 2bol s ASP 133 Ca 0.00 -1.28 0.00 0.00 0.43 0.00 0.00 52.55 51.71 2bol s ASP 133 Cb -0.18 -1.70 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 2bol s ASP 133 CO -0.00 -0.25 0.00 0.29 -0.17 0.00 0.00 175.17 175.04 2bol n LYS 134 N 4.61 0.00 -1.20 4.34 5.02 -1.26 -1.84 118.16 127.83 2bol n LYS 134 Ca -0.13 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.88 2bol n LYS 134 Cb 0.43 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.55 2bol n LYS 134 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bol n ASN 135 N 5.32 6.17 -3.92 4.39 3.02 -1.26 -4.91 115.26 124.07 2bol n ASN 135 Ca 0.00 -3.58 -0.12 0.00 -0.03 0.00 0.00 54.58 50.86 2bol n ASN 135 Cb 0.00 -0.93 -0.13 0.00 -0.61 0.00 0.00 39.78 38.11 2bol n ASN 135 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2bol s LYS 136 N -3.28 0.15 -0.27 3.52 -2.85 -0.76 -0.62 119.74 115.63 2bol s LYS 136 Ca 0.56 -0.22 -0.11 0.00 -1.00 0.00 0.00 55.97 55.20 2bol s LYS 136 Cb 0.45 -0.01 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2bol s LYS 136 CO 0.03 -0.00 0.18 -1.17 0.10 0.00 0.00 175.35 174.48 2bol s LEU 137 N -0.50 4.03 -0.20 2.77 2.96 0.14 -1.65 118.68 126.23 2bol s LEU 137 Ca -0.05 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2bol s LEU 137 Cb -0.03 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 2bol s LEU 137 CO -0.00 -0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.25 2bol s VAL 138 N 1.55 3.25 -0.23 1.68 1.01 -0.01 -1.21 120.40 126.44 2bol s VAL 138 Ca 0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2bol s VAL 138 Cb -0.15 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2bol s VAL 138 CO 0.09 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 2bol s VAL 139 N 1.24 3.30 -0.10 2.92 1.01 -0.24 -1.59 120.40 126.94 2bol s VAL 139 Ca 0.03 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2bol s VAL 139 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.72 2bol s VAL 139 CO -0.02 0.37 -0.10 -0.60 0.00 0.00 0.00 175.10 174.74 2bol s ARG 140 N 1.45 1.66 0.24 2.72 3.52 -0.33 -0.97 118.95 127.25 2bol s ARG 140 Ca 0.05 -0.35 0.09 0.00 -0.13 0.00 0.00 55.73 55.39 2bol s ARG 140 Cb -0.15 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 2bol s ARG 140 CO -0.03 -0.14 0.01 0.00 -0.81 0.00 0.00 175.30 174.32 2bol s ALA 141 N 1.25 3.19 -0.29 6.12 0.00 0.35 -1.15 121.76 131.23 2bol s ALA 141 Ca -0.03 -1.57 -0.16 0.00 0.00 0.00 0.00 51.96 50.19 2bol s ALA 141 Cb -0.14 -0.85 0.16 0.00 0.00 0.00 0.00 23.12 22.29 2bol s ALA 141 CO -0.03 0.32 1.04 -1.14 0.00 0.00 0.00 175.76 175.94 2bol s GLN 142 N -3.50 0.32 0.23 0.00 0.74 -1.02 -1.89 119.66 114.53 2bol s GLN 142 Ca 0.30 0.54 0.09 0.00 0.05 0.00 0.00 55.36 56.34 2bol s GLN 142 Cb -0.07 0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.06 2bol s GLN 142 CO 0.20 -0.07 -0.17 -1.59 -0.55 0.00 0.00 175.29 173.11 2bol s LYS 143 N 1.23 1.44 0.98 1.67 -2.85 -1.26 -4.75 119.74 116.20 2bol s LYS 143 Ca -0.08 -1.63 -0.12 0.00 -1.00 0.00 0.00 55.97 53.13 2bol s LYS 143 Cb -0.03 -1.37 0.18 0.00 -2.06 0.00 0.00 37.83 34.54 2bol s LYS 143 CO -0.14 0.25 1.10 -1.54 0.10 0.00 0.00 175.35 175.12 2bol s SER 144 N -3.31 2.79 -0.12 0.03 1.04 -1.26 -0.73 113.70 112.14 2bol s SER 144 Ca 0.24 1.12 -0.07 0.00 0.48 0.00 0.00 55.95 57.72 2bol s SER 144 Cb -0.03 -1.76 -0.26 0.00 0.10 0.00 0.00 66.02 64.07 2bol s SER 144 CO 0.10 -3.02 0.36 0.52 0.98 0.00 0.00 173.24 172.17 2bol n VAL 145 N -4.09 1.78 -3.75 5.02 0.31 -0.79 -4.52 118.33 112.28 2bol n VAL 145 Ca 0.05 -0.65 -0.10 0.00 -0.01 0.00 0.00 64.34 63.64 2bol n VAL 145 Cb 0.58 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 2bol n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bol s ALA 146 N -2.56 -0.59 0.15 3.52 0.00 -1.26 -5.07 121.76 115.96 2bol s ALA 146 Ca -0.23 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 2bol s ALA 146 Cb 0.07 0.51 -0.07 0.00 0.00 0.00 0.00 23.12 23.62 2bol s ALA 146 CO 0.76 -0.52 1.20 0.00 0.00 0.00 0.00 175.76 177.20 2bol n GLY 148 N 2.47 0.75 2.99 0.00 0.00 -1.26 -5.05 105.19 105.08 2bol n GLY 148 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2bol n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bol s ASP 149 N -2.34 0.73 0.44 1.61 2.15 -1.19 -5.07 116.67 113.01 2bol s ASP 149 Ca 0.00 -0.18 0.24 0.00 0.43 0.00 0.00 52.55 53.04 2bol s ASP 149 Cb 0.00 -0.06 0.53 0.00 -0.30 0.00 0.00 42.92 43.08 2bol s ASP 149 CO 0.00 0.03 1.67 0.00 -0.17 0.00 0.00 175.17 176.70 2bol h ALA 150 N 5.76 0.96 -2.32 3.66 0.00 -1.97 -3.43 119.26 121.92 2bol h ALA 150 Ca -0.30 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 2bol h ALA 150 Cb 1.19 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 19.09 2bol h ALA 150 CO 0.49 0.11 0.27 0.00 0.00 0.00 0.00 179.25 180.11 2bol n ALA 151 N -2.12 0.43 -2.54 0.00 0.00 -1.26 -4.90 120.51 110.12 2bol n ALA 151 Ca 0.03 0.32 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 2bol n ALA 151 Cb 0.51 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 2bol n ALA 151 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2bol s MET 152 N -1.84 1.93 0.91 0.00 -1.94 -1.26 -1.89 119.30 115.21 2bol s MET 152 Ca 0.59 -1.43 -0.13 0.00 -1.71 0.00 0.00 55.69 53.01 2bol s MET 152 Cb -0.60 -2.03 0.14 0.00 2.01 0.00 0.00 34.83 34.35 2bol s MET 152 CO 0.59 0.40 1.18 -1.12 -0.01 0.00 0.00 175.02 176.07 2bol s SER 153 N -3.05 3.52 0.40 3.03 0.01 0.09 -4.79 113.70 112.93 2bol s SER 153 Ca 0.26 0.75 -0.25 0.00 1.31 0.00 0.00 55.95 58.02 2bol s SER 153 Cb -0.08 -1.18 -0.08 0.00 0.21 0.00 0.00 66.02 64.89 2bol s SER 153 CO 0.15 -2.52 1.22 -0.70 0.41 0.00 0.00 173.24 171.80 2bol s GLU 154 N -5.49 4.00 0.38 12.44 2.12 -1.26 -4.72 118.70 126.18 2bol s GLU 154 Ca 0.66 1.95 -0.27 0.00 0.36 0.00 0.00 54.97 57.67 2bol s GLU 154 Cb -0.11 -2.70 -0.09 0.00 0.26 0.00 0.00 34.13 31.49 2bol s GLU 154 CO 0.52 -0.40 1.29 -1.12 -0.54 0.00 0.00 175.26 175.01 2bol s SER 155 N -1.00 6.49 0.26 -1.70 0.01 -1.26 -4.85 113.70 111.66 2bol s SER 155 Ca 0.57 2.63 0.12 0.00 1.31 0.00 0.00 55.95 60.58 2bol s SER 155 Cb -0.33 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.21 2bol s SER 155 CO 0.42 -0.72 -0.21 0.68 0.41 0.00 0.00 173.24 173.82 2bol s VAL 156 N -1.24 2.46 0.00 3.43 -7.23 -0.79 -0.96 120.40 116.07 2bol s VAL 156 Ca 0.54 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2bol s VAL 156 Cb -0.38 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2bol s VAL 156 CO 0.49 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2bol n GLY 157 N -0.43 1.13 3.64 2.32 0.00 0.95 -0.49 105.19 112.31 2bol n GLY 157 Ca -0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 2bol n GLY 157 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bol s ARG 158 N -0.94 0.35 -0.05 1.61 6.06 -0.14 -0.62 118.95 125.22 2bol s ARG 158 Ca 0.00 0.57 0.06 0.00 -2.50 0.00 0.00 55.73 53.86 2bol s ARG 158 Cb 0.00 0.09 -0.01 0.00 0.06 0.00 0.00 34.95 35.09 2bol s ARG 158 CO 0.00 -0.07 -0.25 -1.12 -2.50 0.00 0.00 175.30 171.36 2bol s SER 159 N 1.09 3.05 0.11 -2.12 0.01 -1.26 -1.08 113.70 113.49 2bol s SER 159 Ca -0.06 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.72 2bol s SER 159 Cb -0.04 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 2bol s SER 159 CO -0.13 0.26 -0.08 0.27 0.41 0.00 0.00 173.24 173.97 2bol s ILE 160 N -0.24 0.83 0.26 1.44 -4.36 -0.35 -4.96 121.20 113.82 2bol s ILE 160 Ca -0.01 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 2bol s ILE 160 Cb -0.13 -1.73 -0.10 0.00 1.25 0.00 0.00 42.46 41.75 2bol s ILE 160 CO 0.03 -0.84 1.38 -2.84 0.24 0.00 0.00 174.94 172.91 2bol s PRO 161 N -3.80 4.32 -0.27 0.37 0.02 -1.26 -0.69 135.00 133.68 2bol s PRO 161 Ca 0.13 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.39 2bol s PRO 161 Cb 0.04 -3.12 0.08 0.00 0.02 0.00 0.00 34.50 31.52 2bol s PRO 161 CO -0.03 -0.32 0.00 -1.17 -0.33 0.00 0.00 177.00 175.15 2bol s LEU 162 N -0.70 2.91 0.30 -5.54 2.96 0.21 -4.72 118.68 114.09 2bol s LEU 162 Ca 0.56 -1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 52.72 2bol s LEU 162 Cb -0.40 -1.19 -0.14 0.00 0.50 0.00 0.00 46.19 44.97 2bol s LEU 162 CO 0.45 -0.31 1.08 -2.65 -1.32 0.00 0.00 176.35 173.60 2bol n PRO 163 N 4.63 1.51 0.16 0.98 -0.02 -1.26 -4.42 135.00 136.58 2bol n PRO 163 Ca -0.06 0.53 0.17 0.00 -2.02 0.00 0.00 63.50 62.11 2bol n PRO 163 Cb 0.43 -1.95 0.77 0.00 -0.02 0.00 0.00 33.50 32.73 2bol n PRO 163 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bol h PRO 164 N 2.18 0.00 0.00 0.52 0.11 -1.95 -2.19 132.00 130.68 2bol h PRO 164 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2bol h PRO 164 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2bol h PRO 164 CO 0.61 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.06 2bol h SER 165 N 0.00 0.00 -3.39 -2.05 4.64 -1.90 -3.45 113.55 107.41 2bol h SER 165 Ca 0.12 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.91 2bol h SER 165 Cb 0.56 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.69 2bol h SER 165 CO -0.00 0.00 0.66 -0.69 -0.87 0.00 0.00 176.83 175.93 2bol s VAL 166 N -3.54 3.14 -0.36 0.95 1.01 -0.83 0.18 120.40 120.95 2bol s VAL 166 Ca 0.03 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 2bol s VAL 166 Cb 0.08 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 2bol s VAL 166 CO 0.57 0.14 1.48 -0.62 0.00 0.00 0.00 175.10 176.67 2bol s ASP 167 N 0.33 6.32 0.33 3.32 -1.08 -0.29 -4.86 116.67 120.75 2bol s ASP 167 Ca 0.57 1.05 0.06 0.00 -0.52 0.00 0.00 52.55 53.71 2bol s ASP 167 Cb -0.37 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.13 2bol s ASP 167 CO 0.39 -1.40 1.82 0.03 0.52 0.00 0.00 175.17 176.53 2bol h ARG 168 N 10.83 0.40 -0.00 4.34 2.47 -1.92 -2.92 114.38 127.58 2bol h ARG 168 Ca -0.29 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2bol h ARG 168 Cb 1.12 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2bol h ARG 168 CO 1.06 0.55 0.00 0.09 0.56 0.00 0.00 179.97 182.23 2bol n ASN 169 N -4.20 0.16 -2.70 7.04 5.03 -1.26 -4.03 115.26 115.31 2bol n ASN 169 Ca -0.00 -1.09 -0.05 0.00 0.87 0.00 0.00 54.58 54.31 2bol n ASN 169 Cb 0.33 -0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.13 2bol n ASN 169 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2bol n HIS 170 N -0.85 1.51 -2.67 3.10 8.25 -1.10 -5.07 115.22 118.38 2bol n HIS 170 Ca 0.23 -2.22 -0.41 0.00 -0.26 0.00 0.00 57.72 55.05 2bol n HIS 170 Cb 0.13 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 2bol n HIS 170 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2bol s ILE 171 N -3.90 4.45 -0.02 1.59 1.01 -1.25 -4.45 121.20 118.63 2bol s ILE 171 Ca 0.31 1.97 0.06 0.00 0.00 0.00 0.00 60.65 62.99 2bol s ILE 171 Cb 0.35 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2bol s ILE 171 CO -0.02 0.27 -0.20 0.00 0.00 0.00 0.00 174.94 174.98 2bol s GLN 172 N 0.21 1.63 -0.05 2.79 -2.07 0.30 -5.00 119.66 117.46 2bol s GLN 172 Ca 0.49 -0.72 0.03 0.00 -1.82 0.00 0.00 55.36 53.34 2bol s GLN 172 Cb -0.24 -1.58 0.01 0.00 -1.09 0.00 0.00 33.01 30.10 2bol s GLN 172 CO 0.30 0.43 -0.14 0.00 -1.32 0.00 0.00 175.29 174.57 2bol s ALA 173 N -0.48 1.32 -0.02 2.60 0.00 -1.26 -0.99 121.76 122.94 2bol s ALA 173 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2bol s ALA 173 Cb -0.08 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2bol s ALA 173 CO -0.01 0.17 0.00 0.99 0.00 0.00 0.00 175.76 176.92 2bol s THR 174 N 0.40 0.11 -0.24 0.00 2.01 0.42 -4.97 115.64 113.37 2bol s THR 174 Ca -0.10 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 2bol s THR 174 Cb -0.14 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 2bol s THR 174 CO 0.03 0.09 0.15 -0.63 -0.69 0.00 0.00 174.62 173.57 2bol s ILE 175 N 0.64 5.24 0.00 1.82 1.01 -1.26 0.79 121.20 129.44 2bol s ILE 175 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2bol s ILE 175 Cb -0.09 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2bol s ILE 175 CO -0.01 0.34 0.00 0.35 0.00 0.00 0.00 174.94 175.62 2bol n THR 176 N 4.37 0.00 0.09 2.92 -2.24 -0.86 -4.91 114.28 113.65 2bol n THR 176 Ca -0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 2bol n THR 176 Cb 0.52 -1.31 -0.02 0.00 -2.10 0.00 0.00 70.33 67.42 2bol n THR 176 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bol n THR 177 N -2.30 0.60 -1.26 4.28 -2.24 -1.26 -3.80 114.28 108.30 2bol n THR 177 Ca 0.00 -0.55 -0.25 0.00 -2.27 0.00 0.00 64.05 60.98 2bol n THR 177 Cb 0.00 -0.33 0.17 0.00 -2.10 0.00 0.00 70.33 68.07 2bol n THR 177 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bol n ASP 178 N -2.65 4.28 -3.53 3.42 5.75 -1.26 -4.94 116.55 117.61 2bol n ASP 178 Ca -0.01 -3.64 -0.22 0.00 -0.01 0.00 0.00 54.79 50.91 2bol n ASP 178 Cb 0.56 -0.85 0.05 0.00 -1.03 0.00 0.00 41.12 39.86 2bol n ASP 178 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2bol n ASP 179 N -1.11 -3.99 -3.90 -1.12 8.00 -1.25 -4.97 116.55 108.22 2bol n ASP 179 Ca 0.59 -0.82 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 2bol n ASP 179 Cb 1.51 -4.35 -0.16 0.00 -0.02 0.00 0.00 41.12 38.10 2bol n ASP 179 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bol s VAL 180 N -3.50 1.35 -0.16 2.53 1.01 -1.26 -2.54 120.40 117.84 2bol s VAL 180 Ca 0.26 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 2bol s VAL 180 Cb -0.06 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2bol s VAL 180 CO 0.79 -0.18 1.36 -0.22 0.00 0.00 0.00 175.10 176.86 2bol s LEU 181 N 1.46 4.17 -0.17 3.92 0.20 0.04 -2.04 118.68 126.27 2bol s LEU 181 Ca -0.03 1.76 -0.05 0.00 0.69 0.00 0.00 54.13 56.50 2bol s LEU 181 Cb -0.18 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 2bol s LEU 181 CO -0.08 -0.85 0.01 -0.69 -0.29 0.00 0.00 176.35 174.45 2bol s VAL 182 N 3.77 4.26 -0.16 1.68 1.01 0.24 -1.27 120.40 129.93 2bol s VAL 182 Ca 0.59 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.36 2bol s VAL 182 Cb -0.24 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2bol s VAL 182 CO 0.19 0.47 -0.17 -0.63 0.00 0.00 0.00 175.10 174.96 2bol s ILE 183 N 0.45 1.81 0.18 2.22 1.01 -0.61 -0.43 121.20 125.84 2bol s ILE 183 Ca -0.01 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.92 2bol s ILE 183 Cb -0.14 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2bol s ILE 183 CO 0.02 0.50 -0.13 -1.61 0.00 0.00 0.00 174.94 173.72 2bol s GLU 184 N 1.29 1.23 -0.28 2.79 2.02 -0.16 -1.54 118.70 124.05 2bol s GLU 184 Ca 0.03 -1.52 -0.23 0.00 0.02 0.00 0.00 54.97 53.26 2bol s GLU 184 Cb -0.13 -0.97 0.13 0.00 0.10 0.00 0.00 34.13 33.25 2bol s GLU 184 CO -0.10 0.16 1.04 0.00 0.02 0.00 0.00 175.26 176.38 2bol s ALA 185 N -2.99 -2.04 0.74 5.21 0.00 -0.74 -0.54 121.76 121.40 2bol s ALA 185 Ca 0.20 1.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.98 2bol s ALA 185 Cb -0.00 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.65 2bol s ALA 185 CO 0.05 -0.25 1.08 -1.25 0.00 0.00 0.00 175.76 175.38 2bol s PRO 186 N 0.43 2.51 -0.18 0.00 0.04 -1.26 0.02 135.00 136.56 2bol s PRO 186 Ca 0.01 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 61.96 2bol s PRO 186 Cb -0.05 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2bol s PRO 186 CO -0.08 -1.41 0.10 0.08 0.04 0.00 0.00 177.00 175.72 2bol s VAL 187 N -3.00 5.10 -0.31 -0.36 1.01 -0.28 -1.14 120.40 121.42 2bol s VAL 187 Ca 0.60 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2bol s VAL 187 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2bol s VAL 187 CO 0.55 0.47 1.05 0.20 0.00 0.00 0.00 175.10 177.37 2bol s ASN 188 N 0.23 6.93 -1.15 3.32 0.02 0.13 -4.35 114.94 120.07 2bol s ASN 188 Ca 0.06 1.05 -0.18 0.00 -1.02 0.00 0.00 52.86 52.77 2bol s ASN 188 Cb -0.12 -2.53 -0.01 0.00 0.02 0.00 0.00 41.25 38.61 2bol s ASN 188 CO -0.01 -0.84 0.79 -0.62 0.02 0.00 0.00 177.10 176.44 2bol n GLU 189 N 6.76 -1.49 -1.98 -0.60 1.02 -1.26 -4.89 120.64 118.20 2bol n GLU 189 Ca 0.11 0.49 -0.29 0.00 -0.02 0.00 0.00 57.16 57.45 2bol n GLU 189 Cb 0.47 -4.29 0.14 0.00 -0.02 0.00 0.00 31.44 27.74 2bol n GLU 189 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bol s PRO 190 N -5.89 1.29 -1.39 3.49 0.04 -1.26 -4.85 135.00 126.43 2bol s PRO 190 Ca 0.44 -0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.07 2bol s PRO 190 Cb -0.15 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2bol s PRO 190 CO 0.85 -1.98 2.13 -1.71 0.04 0.00 0.00 177.00 176.33 2bol n ASN 191 N -3.49 3.97 -0.18 6.66 2.85 0.65 -4.81 115.26 120.92 2bol n ASN 191 Ca 0.12 -2.84 -0.01 0.00 -0.11 0.00 0.00 54.58 51.74 2bol n ASN 191 Cb 0.60 -1.65 0.07 0.00 1.24 0.00 0.00 39.78 40.04 2bol n ASN 191 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 2bol h TYR 192 N 6.42 -0.13 -0.79 1.20 0.05 -1.89 -2.44 116.97 119.38 2bol h TYR 192 Ca 0.54 0.04 0.02 0.00 0.05 0.00 0.00 58.73 59.38 2bol h TYR 192 Cb 0.68 0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.53 2bol h TYR 192 CO 1.44 -0.18 0.53 -0.22 -1.05 0.00 0.00 178.16 178.68 2bol h LYS 193 N 0.07 1.02 -0.01 4.88 3.64 -1.90 -2.98 116.57 121.28 2bol h LYS 193 Ca 0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2bol h LYS 193 Cb 0.43 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2bol h LYS 193 CO -0.51 0.67 -0.17 0.00 -2.27 0.00 0.00 179.45 177.17 2bol n ALA 194 N -2.42 2.91 -1.93 5.00 0.00 -0.96 -4.95 120.51 118.17 2bol n ALA 194 Ca 0.09 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2bol n ALA 194 Cb 0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 2bol n ALA 194 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bol s ILE 195 N -2.32 2.69 -0.20 0.00 1.01 -0.97 -1.48 121.20 119.93 2bol s ILE 195 Ca 0.29 0.53 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 2bol s ILE 195 Cb 0.20 -3.34 0.06 0.00 0.01 0.00 0.00 42.46 39.38 2bol s ILE 195 CO 0.46 0.06 0.00 -0.54 0.00 0.00 0.00 174.94 174.92 2bol s LYS 196 N 0.44 0.99 0.02 2.79 -0.14 -0.14 -4.93 119.74 118.77 2bol s LYS 196 Ca 0.65 -0.57 -0.16 0.00 -1.36 0.00 0.00 55.97 54.53 2bol s LYS 196 Cb -0.42 -2.19 -0.06 0.00 -1.68 0.00 0.00 37.83 33.48 2bol s LYS 196 CO 0.37 -0.60 0.46 -0.51 -0.76 0.00 0.00 175.35 174.31 2bol s LEU 197 N 1.72 4.49 -0.14 3.17 1.43 -1.26 -1.32 118.68 126.77 2bol s LEU 197 Ca -0.02 1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.86 2bol s LEU 197 Cb -0.17 -2.69 0.07 0.00 0.03 0.00 0.00 46.19 43.42 2bol s LEU 197 CO -0.07 0.31 0.68 -0.94 0.23 0.00 0.00 176.35 176.55 2bol s SER 198 N -1.10 -0.67 0.35 2.29 1.04 -0.78 -4.97 113.70 109.86 2bol s SER 198 Ca 0.26 0.99 0.04 0.00 0.48 0.00 0.00 55.95 57.71 2bol s SER 198 Cb -0.17 0.91 0.64 0.00 0.10 0.00 0.00 66.02 67.49 2bol s SER 198 CO 0.15 -0.45 1.94 1.55 0.98 0.00 0.00 173.24 177.41 2bol h PRO 199 N 3.88 0.62 -0.03 4.02 0.13 -1.98 0.35 132.00 139.00 2bol h PRO 199 Ca -0.28 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2bol h PRO 199 Cb 1.15 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2bol h PRO 199 CO 0.25 0.53 -0.14 1.05 -0.23 0.00 0.00 178.00 179.47 2bol h GLU 200 N 0.62 0.15 0.00 0.86 9.09 -2.00 -3.34 114.58 119.95 2bol h GLU 200 Ca 0.15 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.44 2bol h GLU 200 Cb 0.16 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2bol h GLU 200 CO -0.01 0.77 -0.85 1.63 0.05 0.00 0.00 179.01 180.60 2bol n LYS 201 N -4.62 0.20 0.00 1.06 5.02 -1.22 -5.03 118.16 113.56 2bol n LYS 201 Ca -0.09 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2bol n LYS 201 Cb 0.40 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2bol n LYS 201 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bol n GLY 202 N 1.40 1.76 3.43 0.72 0.00 0.12 -4.54 105.19 108.10 2bol n GLY 202 Ca 0.03 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2bol n GLY 202 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bol s LEU 203 N 0.00 4.51 0.28 0.99 2.96 -1.22 -1.86 118.68 124.35 2bol s LEU 203 Ca 0.00 -0.73 0.11 0.00 -0.22 0.00 0.00 54.13 53.29 2bol s LEU 203 Cb 0.00 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2bol s LEU 203 CO 0.00 -0.30 -0.09 0.00 -1.32 0.00 0.00 176.35 174.64 2bol s ALA 204 N 1.61 2.98 -0.05 5.97 0.00 -0.43 -4.34 121.76 127.50 2bol s ALA 204 Ca 0.04 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.28 2bol s ALA 204 Cb -0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2bol s ALA 204 CO 0.07 0.26 -0.25 0.42 0.00 0.00 0.00 175.76 176.26 2bol s ILE 205 N -2.42 2.04 -0.28 0.00 1.09 0.21 -0.96 121.20 120.87 2bol s ILE 205 Ca 0.31 -1.07 -0.08 0.00 -1.10 0.00 0.00 60.65 58.71 2bol s ILE 205 Cb -0.05 -1.72 -0.01 0.00 -1.06 0.00 0.00 42.46 39.62 2bol s ILE 205 CO 0.18 0.57 0.11 -1.58 -0.10 0.00 0.00 174.94 174.11 2bol s GLN 206 N -0.27 3.44 0.94 2.79 0.74 -0.55 -0.77 119.66 125.99 2bol s GLN 206 Ca -0.00 -0.63 -0.11 0.00 0.05 0.00 0.00 55.36 54.66 2bol s GLN 206 Cb -0.13 -3.44 0.09 0.00 1.10 0.00 0.00 33.01 30.63 2bol s GLN 206 CO 0.03 -0.32 0.76 -0.35 -0.55 0.00 0.00 175.29 174.85 2bol n PRO 207 N 4.94 -0.40 -4.56 1.67 -0.04 -1.26 -4.78 135.00 130.57 2bol n PRO 207 Ca -0.15 -0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 2bol n PRO 207 Cb 0.50 -2.10 -0.13 0.00 -0.04 0.00 0.00 33.50 31.73 2bol n PRO 207 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2bol s SER 208 N -2.31 3.72 -0.42 3.54 0.01 0.02 -4.71 113.70 113.55 2bol s SER 208 Ca 0.62 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 2bol s SER 208 Cb -0.22 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.51 2bol s SER 208 CO 0.63 0.23 0.35 -0.70 0.41 0.00 0.00 173.24 174.16 2bol s GLU 209 N -1.68 3.01 0.21 12.44 2.12 -1.26 -1.95 118.70 131.60 2bol s GLU 209 Ca 0.15 -0.95 0.11 0.00 0.36 0.00 0.00 54.97 54.65 2bol s GLU 209 Cb -0.10 -3.98 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 2bol s GLU 209 CO 0.06 -0.80 -0.22 0.14 -0.54 0.00 0.00 175.26 173.90 2bol s VAL 210 N 1.84 2.43 0.08 3.70 -7.23 -1.26 -5.04 120.40 114.92 2bol s VAL 210 Ca 0.07 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 2bol s VAL 210 Cb -0.19 -2.19 -0.27 0.00 0.56 0.00 0.00 36.38 34.29 2bol s VAL 210 CO 0.11 -0.18 1.16 0.06 -0.31 0.00 0.00 175.10 175.94 2bol h GLN 211 N 2.97 0.27 -4.17 4.82 -0.00 -2.00 -3.41 115.11 113.59 2bol h GLN 211 Ca -0.45 -0.44 -0.73 0.00 -0.00 0.00 0.00 58.65 57.03 2bol h GLN 211 Cb 1.22 0.16 -0.30 0.00 -0.00 0.00 0.00 27.48 28.56 2bol h GLN 211 CO 0.51 1.20 -0.34 -2.00 -0.00 0.00 0.00 178.83 178.20 2bol s GLU 212 N -2.71 2.59 0.03 0.06 2.56 -1.26 -5.05 118.70 114.92 2bol s GLU 212 Ca -0.04 -1.92 -0.34 0.00 0.00 0.00 0.00 54.97 52.67 2bol s GLU 212 Cb 0.07 -3.95 -0.13 0.00 2.00 0.00 0.00 34.13 32.12 2bol s GLU 212 CO 0.88 -1.20 1.74 0.54 -0.56 0.00 0.00 175.26 176.65 2bol n ARG 213 N 4.66 2.14 -0.04 4.30 1.74 -1.26 -4.85 116.66 123.36 2bol n ARG 213 Ca -0.04 0.78 -0.07 0.00 -0.77 0.00 0.00 57.85 57.75 2bol n ARG 213 Cb 0.41 -2.59 -0.14 0.00 -1.02 0.00 0.00 32.46 29.12 2bol n ARG 213 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2bol n GLN 214 N 5.12 0.65 -3.51 5.56 1.13 -1.26 -4.90 117.38 120.18 2bol n GLN 214 Ca 0.20 0.16 -0.37 0.00 -1.94 0.00 0.00 57.00 55.05 2bol n GLN 214 Cb 0.29 -1.69 -0.06 0.00 0.11 0.00 0.00 30.24 28.89 2bol n GLN 214 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2bol s LEU 215 N -5.75 4.42 0.45 1.08 1.43 -1.26 -5.07 118.68 113.98 2bol s LEU 215 Ca -0.06 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 53.73 2bol s LEU 215 Cb 0.08 -2.78 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 2bol s LEU 215 CO 0.83 0.26 1.12 0.00 0.23 0.00 0.00 176.35 178.79 2bol s ALA 216 N -1.22 2.98 -0.37 4.21 0.00 -1.26 -5.03 121.76 121.07 2bol s ALA 216 Ca 0.28 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2bol s ALA 216 Cb -0.16 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.69 2bol s ALA 216 CO 0.15 -0.52 0.15 0.08 0.00 0.00 0.00 175.76 175.63 2bol s VAL 217 N -1.63 3.68 -1.59 0.00 1.01 -1.26 -4.95 120.40 115.66 2bol s VAL 217 Ca 0.63 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2bol s VAL 217 Cb -0.25 -3.21 0.30 0.00 0.00 0.00 0.00 36.38 33.21 2bol s VAL 217 CO 0.31 -0.35 1.17 0.29 0.00 0.00 0.00 175.10 176.51 2bol n LYS 218 N 4.77 2.01 -3.84 2.72 5.02 -1.26 -4.95 118.16 122.63 2bol n LYS 218 Ca -0.10 -1.18 -0.32 0.00 -2.02 0.00 0.00 58.31 54.68 2bol n LYS 218 Cb 0.43 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 2bol n LYS 218 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bol n ASN 219 N 0.36 -4.86 -3.45 4.39 4.13 -1.26 -4.98 115.26 109.60 2bol n ASN 219 Ca 0.11 -1.04 0.01 0.00 1.68 0.00 0.00 54.58 55.34 2bol n ASN 219 Cb 0.38 -2.15 -0.04 0.00 -1.54 0.00 0.00 39.78 36.43 2bol n ASN 219 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2bol s LYS 220 N -5.90 0.34 0.78 3.52 0.00 -1.26 -5.16 119.74 112.06 2bol s LYS 220 Ca 0.25 0.86 -0.11 0.00 0.00 0.00 0.00 55.97 56.98 2bol s LYS 220 Cb -0.13 0.51 0.06 0.00 0.00 0.00 0.00 37.83 38.28 2bol s LYS 220 CO 0.91 -0.12 1.08 -1.21 0.00 0.00 0.00 175.35 176.02 2bol s GLU 221 N 2.51 2.23 0.00 1.78 2.02 -1.26 -4.55 118.70 121.43 2bol s GLU 221 Ca -0.03 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2bol s GLU 221 Cb -0.07 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2bol s GLU 221 CO -0.18 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 173.91 2bol n GLY 222 N -1.57 0.27 3.83 -1.39 0.00 -0.60 -4.88 105.19 100.86 2bol n GLY 222 Ca 0.08 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 2bol n GLY 222 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bol s LEU 223 N -0.20 4.10 -0.19 0.99 2.96 -1.26 -2.41 118.68 122.66 2bol s LEU 223 Ca 0.00 1.41 -0.12 0.00 -0.22 0.00 0.00 54.13 55.20 2bol s LEU 223 Cb 0.00 -4.09 0.06 0.00 0.50 0.00 0.00 46.19 42.66 2bol s LEU 223 CO 0.00 -0.19 0.48 -0.70 -1.32 0.00 0.00 176.35 174.62 2bol s GLU 224 N -2.82 0.49 -0.49 1.98 2.12 -0.38 -4.99 118.70 114.61 2bol s GLU 224 Ca 0.54 0.86 -0.19 0.00 0.36 0.00 0.00 54.97 56.54 2bol s GLU 224 Cb -0.11 0.05 0.05 0.00 0.26 0.00 0.00 34.13 34.38 2bol s GLU 224 CO 0.17 -0.14 0.60 0.42 -0.54 0.00 0.00 175.26 175.77 2bol s ILE 225 N 1.28 4.91 -0.17 -3.70 1.09 -1.26 -0.53 121.20 122.81 2bol s ILE 225 Ca -0.08 -0.46 -0.21 0.00 -1.10 0.00 0.00 60.65 58.80 2bol s ILE 225 Cb -0.07 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 37.04 2bol s ILE 225 CO -0.12 -0.75 0.62 -0.69 -0.10 0.00 0.00 174.94 173.90 2bol s VAL 226 N 2.55 5.04 -0.14 2.92 1.01 -0.13 -4.92 120.40 126.74 2bol s VAL 226 Ca 0.15 1.19 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2bol s VAL 226 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2bol s VAL 226 CO 0.12 0.15 0.03 -0.89 0.00 0.00 0.00 175.10 174.51 2bol s THR 227 N 1.61 4.49 0.40 3.92 2.01 -1.26 -1.67 115.64 125.14 2bol s THR 227 Ca 0.29 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.16 2bol s THR 227 Cb -0.16 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 2bol s THR 227 CO 0.11 0.53 0.59 0.00 -0.69 0.00 0.00 174.62 175.16 2bol s ALA 228 N -0.19 3.92 0.23 7.40 0.00 0.49 -4.97 121.76 128.64 2bol s ALA 228 Ca 0.06 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 2bol s ALA 228 Cb -0.12 -1.97 0.36 0.00 0.00 0.00 0.00 23.12 21.39 2bol s ALA 228 CO 0.02 -0.23 1.66 1.49 0.00 0.00 0.00 175.76 178.69 2bol h GLU 229 N 0.60 0.13 0.00 0.00 4.81 -2.00 0.11 114.58 118.23 2bol h GLU 229 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2bol h GLU 229 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2bol h GLU 229 CO 0.56 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 2bol n ASP 230 N -5.28 0.00 0.00 1.04 5.75 -1.26 -4.83 116.55 111.97 2bol n ASP 230 Ca 0.11 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 2bol n ASP 230 Cb 0.41 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2bol n ASP 230 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bol n GLY 231 N -0.45 2.00 3.67 6.12 0.00 0.37 -5.07 105.19 111.83 2bol n GLY 231 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2bol n GLY 231 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bol n SER 232 N 0.00 1.66 -4.21 1.61 7.64 -1.26 -4.64 113.62 114.42 2bol n SER 232 Ca 0.00 0.91 -0.23 0.00 1.01 0.00 0.00 58.87 60.56 2bol n SER 232 Cb 0.00 -1.46 -0.14 0.00 -1.01 0.00 0.00 64.21 61.60 2bol n SER 232 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2bol s LYS 233 N -2.71 1.19 0.04 1.43 1.02 -1.26 -0.38 119.74 119.07 2bol s LYS 233 Ca 0.72 -0.89 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 2bol s LYS 233 Cb -0.44 -1.28 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 2bol s LYS 233 CO 0.49 0.32 0.33 -1.59 -0.92 0.00 0.00 175.35 173.99 2bol s LYS 234 N -1.23 0.84 0.01 1.68 -2.85 -0.67 -0.59 119.74 116.92 2bol s LYS 234 Ca 0.05 -0.45 -0.15 0.00 -1.00 0.00 0.00 55.97 54.42 2bol s LYS 234 Cb -0.09 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 2bol s LYS 234 CO 0.02 -0.27 0.43 0.96 0.10 0.00 0.00 175.35 176.58 2bol s ILE 235 N -2.48 4.99 -0.15 3.79 -4.36 -0.11 -0.96 121.20 121.93 2bol s ILE 235 Ca -0.05 0.88 -0.00 0.00 -0.26 0.00 0.00 60.65 61.22 2bol s ILE 235 Cb -0.01 -3.73 0.03 0.00 1.25 0.00 0.00 42.46 40.00 2bol s ILE 235 CO -0.03 0.58 -0.09 -2.28 0.24 0.00 0.00 174.94 173.36 2bol s HIS 236 N -1.08 1.84 -0.09 1.37 2.46 0.31 -2.28 115.29 117.82 2bol s HIS 236 Ca 0.24 -1.08 0.04 0.00 0.47 0.00 0.00 55.06 54.74 2bol s HIS 236 Cb -0.17 -1.40 -0.00 0.00 -0.13 0.00 0.00 32.58 30.87 2bol s HIS 236 CO 0.14 -0.61 -0.23 -1.17 -2.47 0.00 0.00 174.74 170.39 2bol s LEU 237 N 1.59 2.14 -0.07 8.88 2.96 0.49 -1.25 118.68 133.41 2bol s LEU 237 Ca 0.03 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2bol s LEU 237 Cb -0.14 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.13 2bol s LEU 237 CO -0.09 0.18 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.32 2bol s GLU 238 N 0.24 2.26 -0.05 1.98 2.02 -1.01 -0.39 118.70 123.75 2bol s GLU 238 Ca -0.15 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 2bol s GLU 238 Cb -0.17 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.26 2bol s GLU 238 CO 0.08 0.19 0.11 -0.51 0.02 0.00 0.00 175.26 175.15 2bol s LEU 239 N 0.27 0.99 -0.19 1.80 1.43 -0.41 -1.56 118.68 121.00 2bol s LEU 239 Ca -0.11 0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 2bol s LEU 239 Cb -0.15 0.27 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 2bol s LEU 239 CO 0.05 -0.12 0.71 -0.54 0.23 0.00 0.00 176.35 176.68 2bol s LYS 240 N 0.91 4.24 0.11 1.70 1.02 -1.26 -1.06 119.74 125.41 2bol s LYS 240 Ca -0.07 0.76 0.11 0.00 0.02 0.00 0.00 55.97 56.79 2bol s LYS 240 Cb -0.09 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2bol s LYS 240 CO -0.04 -0.28 -0.26 0.14 -0.92 0.00 0.00 175.35 173.98 2bol s VAL 241 N 2.03 2.28 0.27 3.17 -7.23 0.20 -5.00 120.40 116.13 2bol s VAL 241 Ca 0.32 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 2bol s VAL 241 Cb -0.16 -1.99 -0.12 0.00 0.56 0.00 0.00 36.38 34.67 2bol s VAL 241 CO 0.11 0.15 1.49 -0.67 -0.31 0.00 0.00 175.10 175.87 2bol n ASP 242 N 1.08 3.29 0.27 4.85 2.03 -1.26 -4.29 116.55 122.53 2bol n ASP 242 Ca -0.18 1.15 0.17 0.00 0.52 0.00 0.00 54.79 56.45 2bol n ASP 242 Cb 0.53 -1.51 0.83 0.00 -0.72 0.00 0.00 41.12 40.24 2bol n ASP 242 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2bol h PRO 243 N 4.37 0.00 0.00 -0.67 0.13 -1.96 -1.55 132.00 132.32 2bol h PRO 243 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bol h PRO 243 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bol h PRO 243 CO 0.76 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.25 2bol n HIS 244 N -3.15 0.00 -3.19 1.56 8.25 -1.26 -4.66 115.22 112.76 2bol n HIS 244 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2bol n HIS 244 Cb 0.41 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 2bol n HIS 244 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2bol s PHE 245 N -2.51 3.28 0.24 4.41 0.08 -0.59 -4.95 117.98 117.94 2bol s PHE 245 Ca 0.18 0.71 -0.05 0.00 0.12 0.00 0.00 56.93 57.88 2bol s PHE 245 Cb 0.12 -2.76 -0.06 0.00 -0.57 0.00 0.00 43.02 39.76 2bol s PHE 245 CO 0.27 -0.29 0.50 0.00 -0.10 0.00 0.00 175.22 175.60 2bol s ALA 246 N 2.34 3.67 0.33 5.36 0.00 -1.26 -4.96 121.76 127.23 2bol s ALA 246 Ca 0.23 -0.53 0.11 0.00 0.00 0.00 0.00 51.96 51.76 2bol s ALA 246 Cb -0.16 -2.26 0.97 0.00 0.00 0.00 0.00 23.12 21.68 2bol s ALA 246 CO 0.09 0.40 1.67 -1.35 0.00 0.00 0.00 175.76 176.57 2bol h PRO 247 N 2.11 0.34 0.00 0.00 0.11 -1.89 0.81 132.00 133.47 2bol h PRO 247 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bol h PRO 247 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2bol h PRO 247 CO 0.68 0.22 0.00 0.36 -0.21 0.00 0.00 178.00 179.05 2bol n LYS 248 N -5.06 0.34 0.00 1.05 2.85 -1.26 -2.20 118.16 113.87 2bol n LYS 248 Ca 0.29 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.74 2bol n LYS 248 Cb 0.87 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.76 2bol n LYS 248 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2bol n ASP 249 N -1.18 1.56 -4.45 -5.58 8.00 0.28 -4.94 116.55 110.24 2bol n ASP 249 Ca 0.09 -1.24 -0.31 0.00 0.71 0.00 0.00 54.79 54.04 2bol n ASP 249 Cb 0.10 0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 41.67 2bol n ASP 249 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bol s VAL 250 N -2.66 2.76 -0.01 2.53 1.01 -0.94 -1.76 120.40 121.34 2bol s VAL 250 Ca 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2bol s VAL 250 Cb 0.18 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2bol s VAL 250 CO 0.66 0.37 -0.01 -0.54 0.00 0.00 0.00 175.10 175.58 2bol s LYS 251 N -1.34 0.14 0.01 2.72 1.02 -0.26 -4.33 119.74 117.71 2bol s LYS 251 Ca 0.14 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.18 2bol s LYS 251 Cb -0.10 -0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.00 2bol s LYS 251 CO 0.04 0.00 -0.24 0.08 -0.92 0.00 0.00 175.35 174.32 2bol s VAL 252 N 0.15 1.93 0.19 3.17 1.01 0.05 -1.20 120.40 125.70 2bol s VAL 252 Ca -0.01 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2bol s VAL 252 Cb -0.03 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.77 2bol s VAL 252 CO -0.00 0.44 0.62 -1.66 0.00 0.00 0.00 175.10 174.49 2bol s TRP 253 N -0.67 -0.39 0.27 5.22 -2.14 -0.30 0.67 118.94 121.61 2bol s TRP 253 Ca 0.10 0.10 0.12 0.00 2.66 0.00 0.00 56.10 59.07 2bol s TRP 253 Cb -0.09 0.57 -0.05 0.00 -3.10 0.00 0.00 33.47 30.80 2bol s TRP 253 CO 0.00 -0.96 -0.17 0.00 -2.66 0.00 0.00 176.95 173.17 2bol s ALA 254 N -3.81 2.81 -0.44 2.67 0.00 -1.26 0.47 121.76 122.20 2bol s ALA 254 Ca 0.05 -1.83 0.05 0.00 0.00 0.00 0.00 51.96 50.23 2bol s ALA 254 Cb -0.02 -0.35 0.19 0.00 0.00 0.00 0.00 23.12 22.94 2bol s ALA 254 CO -0.07 0.28 0.49 1.17 0.00 0.00 0.00 175.76 177.64 2bol n LYS 255 N -0.63 0.37 0.00 0.00 4.81 0.08 -4.56 118.16 118.23 2bol n LYS 255 Ca -0.06 -2.83 0.00 0.00 -0.87 0.00 0.00 58.31 54.55 2bol n LYS 255 Cb 0.60 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.10 2bol n LYS 255 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bol n GLY 256 N 2.61 1.74 1.24 3.14 0.00 -1.25 -2.77 105.19 109.89 2bol n GLY 256 Ca 0.25 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2bol n GLY 256 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bol n ASN 257 N 9.48 4.21 -4.33 1.61 6.94 -1.26 -1.70 115.26 130.21 2bol n ASN 257 Ca 0.00 -3.11 -0.28 0.00 -0.02 0.00 0.00 54.58 51.17 2bol n ASN 257 Cb 0.00 -0.61 -0.14 0.00 -2.36 0.00 0.00 39.78 36.68 2bol n ASN 257 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2bol s LYS 258 N -2.89 1.51 -0.07 -3.83 1.02 -1.11 -0.38 119.74 113.98 2bol s LYS 258 Ca 0.46 -1.15 0.03 0.00 0.02 0.00 0.00 55.97 55.33 2bol s LYS 258 Cb 0.38 -1.78 0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2bol s LYS 258 CO 0.10 0.44 -0.16 0.08 -0.92 0.00 0.00 175.35 174.89 2bol s VAL 259 N -0.93 1.39 -0.00 3.17 1.01 0.02 -0.74 120.40 124.32 2bol s VAL 259 Ca 0.11 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.52 2bol s VAL 259 Cb -0.10 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2bol s VAL 259 CO 0.03 0.41 -0.17 -0.31 0.00 0.00 0.00 175.10 175.06 2bol s TYR 260 N 0.55 2.59 -0.06 5.22 2.02 0.18 -1.02 117.35 126.83 2bol s TYR 260 Ca -0.15 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2bol s TYR 260 Cb -0.16 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2bol s TYR 260 CO 0.05 0.19 -0.08 0.08 -1.57 0.00 0.00 175.55 174.23 2bol s VAL 261 N -0.82 0.81 -0.02 0.71 1.01 -0.40 -1.15 120.40 120.54 2bol s VAL 261 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2bol s VAL 261 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2bol s VAL 261 CO 0.03 0.29 -0.07 -2.28 0.00 0.00 0.00 175.10 173.07 2bol s HIS 262 N 0.93 0.67 -0.02 5.22 5.04 -0.34 -1.36 115.29 125.42 2bol s HIS 262 Ca -0.10 -0.14 0.01 0.00 -1.54 0.00 0.00 55.06 53.28 2bol s HIS 262 Cb -0.15 -0.48 0.02 0.00 0.04 0.00 0.00 32.58 32.01 2bol s HIS 262 CO 0.01 -0.06 -0.01 0.20 -2.34 0.00 0.00 174.74 172.55 2bol s GLY 263 N 0.10 0.19 -0.19 1.59 0.00 -0.33 -1.10 107.32 107.58 2bol s GLY 263 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.70 2bol s GLY 263 CO -0.00 0.37 0.44 0.54 0.00 0.00 0.00 173.10 174.46 2bol s VAL 264 N 0.66 -0.07 0.01 1.40 0.11 -0.72 0.17 120.40 121.96 2bol s VAL 264 Ca -0.06 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2bol s VAL 264 Cb -0.09 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2bol s VAL 264 CO -0.01 0.04 -0.03 0.28 -3.33 0.00 0.00 175.10 172.04 2bol s THR 265 N 1.53 0.21 0.00 5.04 -1.32 -0.66 -4.72 115.64 115.72 2bol s THR 265 Ca -0.09 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 2bol s THR 265 Cb -0.08 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2bol s THR 265 CO -0.14 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 2bol n GLY 266 N 2.22 2.24 3.65 6.08 0.00 -1.26 -2.33 105.19 115.80 2bol n GLY 266 Ca -0.18 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2bol n GLY 266 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bol s HIS 279 N 0.00 -1.29 -0.01 1.61 5.65 -1.26 -5.16 115.29 114.83 2bol s HIS 279 Ca 0.00 2.29 -0.07 0.00 0.25 0.00 0.00 55.06 57.53 2bol s HIS 279 Cb 0.00 0.77 0.00 0.00 -1.18 0.00 0.00 32.58 32.17 2bol s HIS 279 CO 0.00 -0.64 0.14 -0.98 -0.65 0.00 0.00 174.74 172.61 2bol s ARG 280 N 2.64 0.43 0.19 2.88 1.70 -0.98 -5.17 118.95 120.64 2bol s ARG 280 Ca -0.07 -0.29 -0.17 0.00 -0.47 0.00 0.00 55.73 54.74 2bol s ARG 280 Cb -0.11 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 2bol s ARG 280 CO -0.19 -0.10 0.50 -1.83 -1.08 0.00 0.00 175.30 172.60 2bol s GLU 281 N -1.12 1.36 0.09 3.89 -1.05 -1.26 -1.66 118.70 118.96 2bol s GLU 281 Ca -0.12 -0.90 -0.10 0.00 -0.15 0.00 0.00 54.97 53.70 2bol s GLU 281 Cb -0.06 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 2bol s GLU 281 CO 0.01 -0.57 0.22 -0.59 0.95 0.00 0.00 175.26 175.29 2bol s PHE 282 N -3.89 0.08 -0.27 4.83 -0.71 0.13 -4.97 117.98 113.18 2bol s PHE 282 Ca 0.10 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 2bol s PHE 282 Cb -0.01 -0.01 0.15 0.00 -1.21 0.00 0.00 43.02 41.95 2bol s PHE 282 CO -0.02 -0.55 0.40 -0.47 -1.34 0.00 0.00 175.22 173.23 2bol s TYR 283 N -3.68 -0.95 0.29 3.49 6.04 -1.26 -1.19 117.35 120.09 2bol s TYR 283 Ca 0.03 0.52 0.09 0.00 0.04 0.00 0.00 57.07 57.76 2bol s TYR 283 Cb 0.04 -0.08 -0.04 0.00 -1.04 0.00 0.00 41.96 40.83 2bol s TYR 283 CO -0.10 -0.89 0.01 0.15 -1.54 0.00 0.00 175.55 173.18 2bol s LYS 284 N 2.55 2.25 -0.03 4.97 -0.14 -0.47 -4.69 119.74 124.18 2bol s LYS 284 Ca 0.11 -1.49 -0.21 0.00 -1.36 0.00 0.00 55.97 53.02 2bol s LYS 284 Cb -0.14 -2.12 0.04 0.00 -1.68 0.00 0.00 37.83 33.94 2bol s LYS 284 CO -0.25 0.30 0.45 0.00 -0.76 0.00 0.00 175.35 175.10 2bol s ALA 285 N -2.37 -1.17 0.00 5.17 0.00 -1.25 -1.28 121.76 120.87 2bol s ALA 285 Ca 0.33 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 2bol s ALA 285 Cb -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 2bol s ALA 285 CO 0.20 -0.30 0.00 -0.06 0.00 0.00 0.00 175.76 175.60 2bol s PHE 286 N -1.23 0.05 -0.00 0.00 0.08 -0.19 -1.02 117.98 115.67 2bol s PHE 286 Ca -0.12 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.85 2bol s PHE 286 Cb -0.03 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 2bol s PHE 286 CO 0.06 -0.05 -0.03 0.54 -0.10 0.00 0.00 175.22 175.64 2bol s VAL 287 N -0.34 3.93 0.27 -0.44 0.11 0.39 -0.80 120.40 123.53 2bol s VAL 287 Ca -0.04 -0.67 0.05 0.00 -2.93 0.00 0.00 61.98 58.39 2bol s VAL 287 Cb -0.02 -2.73 -0.06 0.00 -1.53 0.00 0.00 36.38 32.04 2bol s VAL 287 CO -0.00 0.39 -0.01 0.42 -3.33 0.00 0.00 175.10 172.56 2bol s THR 288 N -1.04 1.31 -1.76 5.04 -4.23 0.49 -2.10 115.64 113.34 2bol s THR 288 Ca 0.18 -2.06 0.30 0.00 -1.18 0.00 0.00 61.69 58.93 2bol s THR 288 Cb -0.11 -2.48 0.64 0.00 1.34 0.00 0.00 72.50 71.89 2bol s THR 288 CO 0.09 -0.25 2.04 -0.81 -0.54 0.00 0.00 174.62 175.14 2bol n PRO 289 N -0.54 0.78 -4.44 3.99 -0.04 -1.26 -4.85 135.00 128.65 2bol n PRO 289 Ca -0.05 -0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 2bol n PRO 289 Cb 0.64 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 2bol n PRO 289 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2bol s GLU 290 N -2.31 1.77 0.12 0.54 2.02 -1.26 -3.32 118.70 116.27 2bol s GLU 290 Ca 0.36 -2.05 -0.20 0.00 0.02 0.00 0.00 54.97 53.10 2bol s GLU 290 Cb 0.21 -0.43 -0.07 0.00 0.10 0.00 0.00 34.13 33.93 2bol s GLU 290 CO 0.43 -0.44 0.63 0.08 0.02 0.00 0.00 175.26 175.98 2bol s VAL 291 N -3.36 4.66 0.18 2.63 1.01 0.02 -4.32 120.40 121.21 2bol s VAL 291 Ca 0.30 1.27 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 2bol s VAL 291 Cb 0.04 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 2bol s VAL 291 CO 0.16 0.46 0.72 -0.69 0.00 0.00 0.00 175.10 175.74 2bol s VAL 292 N -1.23 4.53 -1.06 2.92 1.01 -0.69 -0.32 120.40 125.58 2bol s VAL 292 Ca 0.34 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.69 2bol s VAL 292 Cb -0.19 -3.95 0.31 0.00 0.00 0.00 0.00 36.38 32.55 2bol s VAL 292 CO 0.21 0.36 1.60 -0.67 0.00 0.00 0.00 175.10 176.60 2bol n ASP 293 N 1.15 6.75 -0.25 3.32 -0.08 -0.49 -4.92 116.55 122.03 2bol n ASP 293 Ca -0.05 -3.52 0.07 0.00 -1.51 0.00 0.00 54.79 49.79 2bol n ASP 293 Cb 0.50 -1.23 0.15 0.00 2.34 0.00 0.00 41.12 42.89 2bol n ASP 293 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bol n ALA 294 N 0.80 0.27 0.31 -1.67 0.00 -1.26 -0.87 120.51 118.08 2bol n ALA 294 Ca 0.34 0.78 0.20 0.00 0.00 0.00 0.00 53.44 54.75 2bol n ALA 294 Cb 0.31 -0.52 0.96 0.00 0.00 0.00 0.00 19.45 20.20 2bol n ALA 294 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bol h SER 295 N 0.00 0.00 -0.46 0.00 4.64 -1.93 -1.22 113.55 114.58 2bol h SER 295 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2bol h SER 295 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2bol h SER 295 CO -0.71 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.54 2bol n LYS 296 N -2.97 2.11 -2.16 4.77 4.76 -0.05 -0.25 118.16 124.37 2bol n LYS 296 Ca -0.01 -1.67 -0.40 0.00 -2.87 0.00 0.00 58.31 53.36 2bol n LYS 296 Cb 0.15 -1.38 -0.02 0.00 -1.84 0.00 0.00 35.03 31.94 2bol n LYS 296 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2bol s THR 297 N -1.41 2.81 -0.02 -0.18 2.01 -0.46 -4.67 115.64 113.72 2bol s THR 297 Ca 0.31 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.15 2bol s THR 297 Cb 0.16 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2bol s THR 297 CO 0.21 0.18 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.06 2bol s GLN 298 N -1.83 1.38 -0.07 4.92 -0.21 -0.05 -4.75 119.66 119.05 2bol s GLN 298 Ca 0.50 -0.55 -0.05 0.00 0.02 0.00 0.00 55.36 55.28 2bol s GLN 298 Cb -0.38 -1.29 0.03 0.00 1.00 0.00 0.00 33.01 32.37 2bol s GLN 298 CO 0.51 0.29 0.18 0.00 -2.12 0.00 0.00 175.29 174.15 2bol s ALA 299 N -0.21 -0.39 -0.02 6.09 0.00 -1.26 -1.08 121.76 124.88 2bol s ALA 299 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2bol s ALA 299 Cb -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2bol s ALA 299 CO 0.00 -0.13 0.01 -1.83 0.00 0.00 0.00 175.76 173.81 2bol s GLU 300 N 0.68 0.19 -0.25 0.00 -1.05 -0.82 -0.80 118.70 116.65 2bol s GLU 300 Ca -0.05 0.08 0.02 0.00 -0.15 0.00 0.00 54.97 54.88 2bol s GLU 300 Cb -0.06 -0.37 0.06 0.00 -0.44 0.00 0.00 34.13 33.31 2bol s GLU 300 CO -0.04 -0.12 -0.10 -1.50 0.95 0.00 0.00 175.26 174.46 2bol s ILE 301 N 0.87 1.98 -0.16 1.83 2.07 -0.82 -1.49 121.20 125.48 2bol s ILE 301 Ca -0.08 -1.49 -0.01 0.00 -1.41 0.00 0.00 60.65 57.65 2bol s ILE 301 Cb -0.12 -2.13 0.04 0.00 0.13 0.00 0.00 42.46 40.39 2bol s ILE 301 CO -0.02 -0.03 -0.03 0.54 -1.91 0.00 0.00 174.94 173.50 2bol s VAL 302 N 1.19 0.93 -0.93 4.00 0.11 -0.99 -4.28 120.40 120.42 2bol s VAL 302 Ca -0.08 -0.56 -0.09 0.00 -2.93 0.00 0.00 61.98 58.32 2bol s VAL 302 Cb -0.19 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.47 2bol s VAL 302 CO -0.06 0.06 0.73 0.47 -3.33 0.00 0.00 175.10 172.97 2bol n ASP 303 N 4.93 -6.08 0.00 3.54 10.43 -1.26 -2.97 116.55 125.14 2bol n ASP 303 Ca -0.11 -0.69 0.00 0.00 2.57 0.00 0.00 54.79 56.56 2bol n ASP 303 Cb 0.48 -3.70 0.00 0.00 1.84 0.00 0.00 41.12 39.74 2bol n ASP 303 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bol n GLY 304 N -1.67 2.93 3.16 0.44 0.00 -1.26 -4.99 105.19 103.80 2bol n GLY 304 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2bol n GLY 304 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bol s LEU 305 N 0.00 3.45 -0.13 0.99 2.96 -1.16 0.62 118.68 125.41 2bol s LEU 305 Ca 0.00 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 52.74 2bol s LEU 305 Cb 0.00 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2bol s LEU 305 CO 0.00 -0.18 0.08 -0.32 -1.32 0.00 0.00 176.35 174.61 2bol s MET 306 N 1.25 3.53 -0.04 1.98 -2.45 -0.22 -2.36 119.30 120.99 2bol s MET 306 Ca -0.03 -0.27 0.05 0.00 -1.25 0.00 0.00 55.69 54.19 2bol s MET 306 Cb -0.18 -3.11 -0.01 0.00 1.25 0.00 0.00 34.83 32.78 2bol s MET 306 CO -0.04 0.58 -0.19 0.08 1.05 0.00 0.00 175.02 176.50 2bol s VAL 307 N -0.49 1.59 -0.05 10.11 1.01 -0.55 -1.29 120.40 130.72 2bol s VAL 307 Ca 0.11 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2bol s VAL 307 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2bol s VAL 307 CO 0.02 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 2bol s VAL 308 N -0.05 1.30 -0.03 2.92 1.01 0.47 -1.95 120.40 124.08 2bol s VAL 308 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2bol s VAL 308 Cb -0.12 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2bol s VAL 308 CO 0.02 0.38 -0.08 -1.61 0.00 0.00 0.00 175.10 173.82 2bol s GLU 309 N 0.33 0.87 -0.08 2.72 2.02 -0.24 -0.38 118.70 123.94 2bol s GLU 309 Ca -0.09 -0.25 -0.07 0.00 0.02 0.00 0.00 54.97 54.58 2bol s GLU 309 Cb -0.13 -0.83 0.02 0.00 0.10 0.00 0.00 34.13 33.29 2bol s GLU 309 CO 0.03 0.07 0.21 0.00 0.02 0.00 0.00 175.26 175.59 2bol s ALA 310 N 0.31 -0.51 0.43 5.21 0.00 -0.97 -0.87 121.76 125.37 2bol s ALA 310 Ca -0.04 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 2bol s ALA 310 Cb -0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 2bol s ALA 310 CO 0.00 -0.10 1.20 -1.25 0.00 0.00 0.00 175.76 175.61 2bol s PRO 311 N 0.18 3.86 0.20 0.00 0.04 -1.26 -0.93 135.00 137.09 2bol s PRO 311 Ca -0.01 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2bol s PRO 311 Cb -0.02 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2bol s PRO 311 CO -0.00 -0.50 0.05 -0.51 0.04 0.00 0.00 177.00 176.08 2bol s LEU 312 N -2.76 3.46 -0.07 -3.56 1.43 0.24 -1.39 118.68 116.03 2bol s LEU 312 Ca 0.61 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 2bol s LEU 312 Cb -0.32 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 43.92 2bol s LEU 312 CO 0.39 0.05 0.72 0.72 0.23 0.00 0.00 176.35 178.47 2bol s PHE 313 N -1.88 -0.62 0.00 0.29 -0.12 0.57 -4.53 117.98 111.68 2bol s PHE 313 Ca 0.29 1.06 0.00 0.00 -0.05 0.00 0.00 56.93 58.23 2bol s PHE 313 Cb -0.09 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 2bol s PHE 313 CO 0.21 -0.57 0.20 0.36 -0.05 0.00 0.00 175.22 175.36