#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pbx s GLU 6 N 0.00 4.55 0.39 0.38 2.56 -1.26 -4.99 118.70 120.33 2pbx s GLU 6 Ca 0.00 1.77 -0.26 0.00 0.00 0.00 0.00 54.97 56.49 2pbx s GLU 6 Cb 0.00 -3.27 -0.09 0.00 2.00 0.00 0.00 34.13 32.78 2pbx s GLU 6 CO 0.00 0.00 1.21 0.21 -0.56 0.00 0.00 175.26 176.12 2pbx s LYS 7 N -0.26 4.09 -0.01 4.30 2.20 -1.26 -4.98 119.74 123.81 2pbx s LYS 7 Ca 0.51 1.95 -0.19 0.00 -0.36 0.00 0.00 55.97 57.88 2pbx s LYS 7 Cb -0.30 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 2pbx s LYS 7 CO 0.35 -0.32 0.53 1.03 -0.36 0.00 0.00 175.35 176.58 2pbx s ARG 8 N -2.19 4.21 0.10 4.03 0.52 0.78 -5.01 118.95 121.39 2pbx s ARG 8 Ca 0.56 0.61 -0.36 0.00 -0.52 0.00 0.00 55.73 56.01 2pbx s ARG 8 Cb -0.33 -3.31 -0.16 0.00 0.52 0.00 0.00 34.95 31.66 2pbx s ARG 8 CO 0.42 0.45 1.38 -2.30 0.02 0.00 0.00 175.30 175.27 2pbx n PRO 9 N 2.51 1.31 -1.75 3.54 -0.02 -1.26 -4.50 135.00 134.83 2pbx n PRO 9 Ca -0.09 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2pbx n PRO 9 Cb 0.51 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 2pbx n PRO 9 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2pbx n ARG 10 N 2.65 2.70 -3.94 -0.52 0.63 -1.26 -4.96 116.66 111.96 2pbx n ARG 10 Ca 0.18 0.96 -0.08 0.00 -0.92 0.00 0.00 57.85 57.98 2pbx n ARG 10 Cb 0.21 -2.73 -0.04 0.00 0.45 0.00 0.00 32.46 30.35 2pbx n ARG 10 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2pbx s THR 11 N -0.22 0.00 -0.23 5.15 -1.32 -1.26 -5.14 115.64 112.62 2pbx s THR 11 Ca 0.62 -1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 59.75 2pbx s THR 11 Cb -0.49 -2.10 -0.05 0.00 -1.51 0.00 0.00 72.50 68.35 2pbx s THR 11 CO 0.51 -0.01 0.20 -0.13 -2.21 0.00 0.00 174.62 172.98 2pbx s ARG 12 N -3.98 4.11 0.01 7.08 0.52 -1.26 -5.07 118.95 120.36 2pbx s ARG 12 Ca 0.18 -0.18 -0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2pbx s ARG 12 Cb -0.02 -3.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 2pbx s ARG 12 CO 0.08 0.08 -0.02 -0.51 0.02 0.00 0.00 175.30 174.95 2pbx s LEU 13 N 0.98 2.17 0.93 2.53 1.43 -1.26 -5.09 118.68 120.38 2pbx s LEU 13 Ca 0.10 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2pbx s LEU 13 Cb -0.13 0.08 0.15 0.00 0.03 0.00 0.00 46.19 46.31 2pbx s LEU 13 CO 0.04 -0.23 1.10 -0.94 0.23 0.00 0.00 176.35 176.55 2pbx s SER 14 N -1.10 3.24 0.26 2.29 1.04 -1.26 -4.69 113.70 113.48 2pbx s SER 14 Ca -0.12 1.29 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 2pbx s SER 14 Cb -0.08 -1.96 0.42 0.00 0.10 0.00 0.00 66.02 64.50 2pbx s SER 14 CO -0.01 -2.76 1.84 -0.65 0.98 0.00 0.00 173.24 172.65 2pbx h PRO 15 N -1.63 0.95 0.25 4.02 0.11 -2.01 0.15 132.00 133.85 2pbx h PRO 15 Ca -0.51 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 2pbx h PRO 15 Cb 1.31 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pbx h PRO 15 CO 0.57 0.63 -0.12 0.37 -0.21 0.00 0.00 178.00 179.24 2pbx h GLN 16 N 0.98 -0.33 0.00 1.05 4.15 -2.01 -1.98 115.11 116.97 2pbx h GLN 16 Ca 0.42 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.87 2pbx h GLN 16 Cb 0.30 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2pbx h GLN 16 CO -0.22 -0.20 0.00 0.87 -1.93 0.00 0.00 178.83 177.36 2pbx h LYS 17 N -0.37 0.00 -0.07 1.69 1.57 -1.82 -2.96 116.57 114.61 2pbx h LYS 17 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2pbx h LYS 17 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2pbx h LYS 17 CO 0.06 0.00 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.75 2pbx h ARG 18 N 0.00 0.19 -0.88 3.15 9.65 -0.34 -1.99 114.38 124.16 2pbx h ARG 18 Ca 0.00 -0.11 0.17 0.00 -1.10 0.00 0.00 59.98 58.94 2pbx h ARG 18 Cb 0.62 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 29.11 2pbx h ARG 18 CO 0.00 0.66 0.44 -0.22 2.80 0.00 0.00 179.97 183.65 2pbx h LYS 19 N -0.28 0.55 -0.55 0.20 3.64 -1.24 0.18 116.57 119.07 2pbx h LYS 19 Ca 0.01 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2pbx h LYS 19 Cb 0.64 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2pbx h LYS 19 CO 0.02 0.37 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.47 2pbx h LEU 20 N 0.57 0.98 -0.50 5.20 3.38 -1.45 -2.60 115.31 120.89 2pbx h LEU 20 Ca 0.50 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2pbx h LEU 20 Cb 0.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2pbx h LEU 20 CO -0.41 1.06 0.13 -0.61 0.09 0.00 0.00 178.44 178.70 2pbx h GLN 21 N 0.88 0.80 -0.83 1.13 4.15 0.06 -1.52 115.11 119.77 2pbx h GLN 21 Ca 0.15 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2pbx h GLN 21 Cb 0.57 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 2pbx h GLN 21 CO 0.03 0.76 0.37 -0.07 -1.93 0.00 0.00 178.83 178.00 2pbx h LEU 22 N 0.69 1.11 -0.19 -2.39 3.38 -1.01 0.16 115.31 117.06 2pbx h LEU 22 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2pbx h LEU 22 Cb 0.32 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2pbx h LEU 22 CO -0.00 0.95 0.08 -0.03 0.09 0.00 0.00 178.44 179.53 2pbx h MET 23 N 1.19 0.28 -0.67 1.13 4.05 -1.29 0.50 114.93 120.12 2pbx h MET 23 Ca 0.28 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.68 2pbx h MET 23 Cb 0.16 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 2pbx h MET 23 CO -0.03 0.33 0.43 0.93 0.23 0.00 0.00 176.91 178.79 2pbx h GLU 24 N 0.16 0.83 -0.43 0.39 5.08 -0.92 0.57 114.58 120.25 2pbx h GLU 24 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2pbx h GLU 24 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2pbx h GLU 24 CO -0.01 0.55 0.25 0.82 -1.00 0.00 0.00 179.01 179.62 2pbx h ILE 25 N 0.85 1.15 -0.02 3.13 2.04 -0.36 -0.97 117.51 123.33 2pbx h ILE 25 Ca 0.26 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2pbx h ILE 25 Cb -0.03 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2pbx h ILE 25 CO -0.08 0.15 -0.09 0.00 0.00 0.00 0.00 178.15 178.12 2pbx h ALA 26 N 1.11 -0.09 -0.94 1.87 0.00 0.64 -0.31 119.26 121.54 2pbx h ALA 26 Ca 0.15 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.25 2pbx h ALA 26 Cb 0.02 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2pbx h ALA 26 CO -0.03 -0.58 0.60 -0.07 0.00 0.00 0.00 179.25 179.17 2pbx h LEU 27 N -0.15 0.65 -0.30 0.00 3.38 -0.67 0.13 115.31 118.35 2pbx h LEU 27 Ca 0.04 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2pbx h LEU 27 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pbx h LEU 27 CO -0.11 0.28 -0.11 -0.08 0.09 0.00 0.00 178.44 178.51 2pbx h GLU 28 N 0.66 0.60 -0.32 1.13 4.81 0.26 -0.83 114.58 120.89 2pbx h GLU 28 Ca 0.50 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2pbx h GLU 28 Cb 0.88 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2pbx h GLU 28 CO -0.25 0.82 -0.30 -0.39 -0.73 0.00 0.00 179.01 178.16 2pbx h VAL 29 N 0.36 1.29 0.00 0.32 -1.51 0.24 -2.37 116.25 114.57 2pbx h VAL 29 Ca 0.07 -1.47 -0.05 0.00 -1.23 0.00 0.00 66.70 64.03 2pbx h VAL 29 Cb 0.62 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 2pbx h VAL 29 CO 0.04 0.48 -0.22 -0.26 -1.23 0.00 0.00 177.57 176.38 2pbx h PHE 30 N 0.53 0.00 -0.01 5.19 -1.00 -0.81 0.13 116.94 120.97 2pbx h PHE 30 Ca 0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 2pbx h PHE 30 Cb 0.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.44 2pbx h PHE 30 CO 0.07 0.22 -0.15 0.00 -1.61 0.00 0.00 178.31 176.84 2pbx h ALA 31 N 1.78 0.03 0.00 2.45 0.00 -0.90 -0.18 119.26 122.44 2pbx h ALA 31 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pbx h ALA 31 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pbx h ALA 31 CO 0.03 0.00 -0.64 0.87 0.00 0.00 0.00 179.25 179.51 2pbx h LYS 32 N -0.56 0.00 0.00 0.00 1.57 -1.38 -3.38 116.57 112.82 2pbx h LYS 32 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pbx h LYS 32 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2pbx h LYS 32 CO 0.03 0.00 -1.05 0.54 -0.57 0.00 0.00 179.45 178.40 2pbx n ARG 33 N -2.37 0.91 0.00 3.15 1.74 0.44 -5.09 116.66 115.43 2pbx n ARG 33 Ca 0.03 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2pbx n ARG 33 Cb 0.48 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 2pbx n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pbx n GLY 34 N 2.10 2.78 3.71 -0.13 0.00 -0.08 -4.69 105.19 108.88 2pbx n GLY 34 Ca -0.01 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 2pbx n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pbx n ILE 35 N 0.53 0.91 -0.37 -0.61 2.08 -1.22 -1.13 119.36 119.55 2pbx n ILE 35 Ca 0.00 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.08 2pbx n ILE 35 Cb 0.00 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 2pbx n ILE 35 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2pbx n GLY 36 N 2.29 0.66 1.98 7.39 0.00 -1.26 -4.79 105.19 111.45 2pbx n GLY 36 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 2pbx n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pbx n ARG 37 N -2.00 1.83 0.00 1.61 3.00 -0.28 -4.79 116.66 116.03 2pbx n ARG 37 Ca 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 57.85 56.44 2pbx n ARG 37 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 30.78 2pbx n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pbx n GLY 38 N 0.92 1.86 0.00 5.14 0.00 -1.26 -4.72 105.19 107.13 2pbx n GLY 38 Ca 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2pbx n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pbx n GLY 39 N -0.36 3.83 0.32 -0.02 0.00 -1.26 -5.00 105.19 102.70 2pbx n GLY 39 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 46.02 44.86 2pbx n GLY 39 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pbx n HIS 40 N 0.00 0.24 -0.10 1.61 8.25 -1.26 -1.28 115.22 122.68 2pbx n HIS 40 Ca 0.00 1.07 -0.06 0.00 -0.26 0.00 0.00 57.72 58.47 2pbx n HIS 40 Cb 0.00 -0.96 0.01 0.00 1.12 0.00 0.00 29.99 30.17 2pbx n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pbx h ALA 41 N 1.60 0.32 -0.49 -1.41 0.00 -1.96 -0.58 119.26 116.74 2pbx h ALA 41 Ca 0.39 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 2pbx h ALA 41 Cb 0.61 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pbx h ALA 41 CO -0.89 -0.39 0.08 -0.44 0.00 0.00 0.00 179.25 177.61 2pbx h ASP 42 N 0.11 0.71 0.36 0.00 3.32 -1.59 -1.41 116.42 117.92 2pbx h ASP 42 Ca 0.17 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2pbx h ASP 42 Cb 0.22 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2pbx h ASP 42 CO -0.27 0.73 -0.17 0.40 -1.72 0.00 0.00 179.24 178.21 2pbx h ILE 43 N 0.72 0.59 -0.90 0.35 2.04 -0.98 -1.89 117.51 117.44 2pbx h ILE 43 Ca 0.16 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.56 2pbx h ILE 43 Cb 0.33 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 2pbx h ILE 43 CO 0.00 0.10 0.54 0.00 0.00 0.00 0.00 178.15 178.79 2pbx h ALA 44 N -0.36 1.33 -0.11 1.87 0.00 -1.08 0.46 119.26 121.37 2pbx h ALA 44 Ca -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2pbx h ALA 44 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pbx h ALA 44 CO 0.08 0.13 -0.27 1.49 0.00 0.00 0.00 179.25 180.68 2pbx h GLU 45 N 0.86 0.20 0.21 0.00 4.81 -1.20 0.28 114.58 119.73 2pbx h GLU 45 Ca 0.45 -0.07 -0.28 0.00 -0.13 0.00 0.00 59.36 59.33 2pbx h GLU 45 Cb 0.45 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.85 2pbx h GLU 45 CO -0.27 0.46 -1.24 0.82 -0.73 0.00 0.00 179.01 178.05 2pbx h ILE 46 N 0.18 1.34 0.00 2.32 2.04 -0.03 -3.25 117.51 120.11 2pbx h ILE 46 Ca 0.03 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.27 2pbx h ILE 46 Cb 0.58 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2pbx h ILE 46 CO 0.04 0.77 0.00 0.00 0.00 0.00 0.00 178.15 178.96 2pbx n ALA 47 N -2.72 2.17 -3.58 1.87 0.00 0.14 -0.16 120.51 118.23 2pbx n ALA 47 Ca -0.17 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2pbx n ALA 47 Cb 0.99 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 19.09 2pbx n ALA 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pbx n GLN 48 N -1.65 -6.85 -1.95 0.00 6.02 0.92 -4.71 117.38 109.17 2pbx n GLN 48 Ca 0.06 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 2pbx n GLN 48 Cb 0.32 -5.75 0.00 0.00 1.02 0.00 0.00 30.24 25.82 2pbx n GLN 48 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2pbx n VAL 49 N -4.56 0.00 -2.96 5.09 0.24 -0.80 -4.87 118.33 110.46 2pbx n VAL 49 Ca -0.14 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.89 2pbx n VAL 49 Cb 0.61 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.97 2pbx n VAL 49 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pbx s SER 50 N -0.95 6.34 0.27 -1.34 1.04 -1.26 -4.64 113.70 113.17 2pbx s SER 50 Ca 0.00 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2pbx s SER 50 Cb 0.00 -2.19 0.38 0.00 0.10 0.00 0.00 66.02 64.31 2pbx s SER 50 CO 0.00 -0.42 1.70 0.58 0.98 0.00 0.00 173.24 176.09 2pbx h VAL 51 N 0.69 1.27 -0.27 5.02 2.07 -1.92 -2.23 116.25 120.87 2pbx h VAL 51 Ca -0.48 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 65.76 2pbx h VAL 51 Cb 1.20 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2pbx h VAL 51 CO 0.63 0.42 0.18 0.00 0.02 0.00 0.00 177.57 178.82 2pbx h ALA 52 N 1.28 1.93 -0.07 1.67 0.00 -1.97 0.18 119.26 122.28 2pbx h ALA 52 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pbx h ALA 52 Cb 0.70 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2pbx h ALA 52 CO 0.05 0.03 -0.05 1.15 0.00 0.00 0.00 179.25 180.44 2pbx h THR 53 N 0.26 1.34 -0.65 0.00 2.02 -1.79 -1.38 112.91 112.70 2pbx h THR 53 Ca 0.11 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.12 2pbx h THR 53 Cb 0.13 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2pbx h THR 53 CO -0.02 0.31 0.17 0.58 0.37 0.00 0.00 175.52 176.92 2pbx h VAL 54 N -0.23 1.26 0.00 3.16 2.07 -1.21 -0.99 116.25 120.31 2pbx h VAL 54 Ca 0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2pbx h VAL 54 Cb 0.51 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2pbx h VAL 54 CO 0.01 0.35 0.00 -0.26 0.02 0.00 0.00 177.57 177.69 2pbx h PHE 55 N 0.96 0.00 -0.16 1.57 -1.00 -0.65 -0.71 116.94 116.96 2pbx h PHE 55 Ca 0.21 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.91 2pbx h PHE 55 Cb 0.35 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 2pbx h PHE 55 CO 0.03 0.00 -0.21 -0.91 -1.61 0.00 0.00 178.31 175.61 2pbx h ASN 56 N 0.00 0.45 0.36 2.17 4.21 -0.01 -2.50 115.58 120.27 2pbx h ASN 56 Ca 0.00 -0.51 -0.20 0.00 1.21 0.00 0.00 56.30 56.80 2pbx h ASN 56 Cb 0.32 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2pbx h ASN 56 CO 0.00 0.87 -0.84 1.88 -1.29 0.00 0.00 177.43 178.06 2pbx h TYR 57 N 0.04 0.50 -3.12 1.19 -1.99 -1.23 -3.39 116.97 108.98 2pbx h TYR 57 Ca 0.02 -0.25 -0.62 0.00 2.00 0.00 0.00 58.73 59.87 2pbx h TYR 57 Cb 0.77 -0.07 -0.40 0.00 2.00 0.00 0.00 36.73 39.03 2pbx h TYR 57 CO 0.09 1.04 -0.70 -0.06 -0.00 0.00 0.00 178.16 178.54 2pbx s PHE 58 N -3.40 2.48 0.09 4.88 0.40 -0.30 -4.96 117.98 117.16 2pbx s PHE 58 Ca -0.05 -2.74 -0.21 0.00 -0.60 0.00 0.00 56.93 53.33 2pbx s PHE 58 Cb 0.10 -2.24 -0.06 0.00 0.51 0.00 0.00 43.02 41.32 2pbx s PHE 58 CO 0.85 -0.75 1.36 -1.35 0.70 0.00 0.00 175.22 176.02 2pbx h PRO 59 N 6.55 -0.16 -6.19 0.24 0.11 -1.65 -3.39 132.00 127.50 2pbx h PRO 59 Ca -0.02 0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.60 2pbx h PRO 59 Cb 0.90 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 2pbx h PRO 59 CO 0.57 -0.11 -0.34 0.95 -0.21 0.00 0.00 178.00 178.86 2pbx s THR 60 N -4.70 2.51 0.22 -1.15 -4.23 -1.26 -4.94 115.64 102.09 2pbx s THR 60 Ca -0.09 -1.32 0.25 0.00 -1.18 0.00 0.00 61.69 59.35 2pbx s THR 60 Cb 0.06 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 71.33 2pbx s THR 60 CO 0.40 0.00 1.90 -0.09 -0.54 0.00 0.00 174.62 176.30 2pbx h ARG 61 N 0.92 0.00 -0.09 3.99 9.65 -2.01 -2.81 114.38 124.02 2pbx h ARG 61 Ca -0.40 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.40 2pbx h ARG 61 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 2pbx h ARG 61 CO 0.56 0.19 -0.24 0.93 2.80 0.00 0.00 179.97 184.21 2pbx h GLU 62 N 0.00 0.33 -0.41 0.20 5.08 -1.95 -2.59 114.58 115.24 2pbx h GLU 62 Ca -0.00 -0.23 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2pbx h GLU 62 Cb 0.62 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 2pbx h GLU 62 CO 0.02 0.84 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.40 2pbx h ASP 63 N -0.13 -0.23 0.36 1.42 3.32 -1.87 1.11 116.42 120.40 2pbx h ASP 63 Ca -0.00 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2pbx h ASP 63 Cb 0.85 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2pbx h ASP 63 CO 0.05 -0.08 -0.20 0.25 -1.72 0.00 0.00 179.24 177.54 2pbx h LEU 64 N 0.07 -0.50 -0.04 1.55 5.85 -1.57 0.36 115.31 121.03 2pbx h LEU 64 Ca 0.20 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2pbx h LEU 64 Cb 0.29 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2pbx h LEU 64 CO -0.36 -0.33 -0.08 0.58 -0.34 0.00 0.00 178.44 177.91 2pbx h VAL 65 N -0.53 0.78 -0.43 1.05 2.07 -1.01 -0.85 116.25 117.33 2pbx h VAL 65 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2pbx h VAL 65 Cb 0.43 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2pbx h VAL 65 CO 0.05 0.00 0.18 -0.78 0.02 0.00 0.00 177.57 177.04 2pbx h ASP 66 N -0.13 0.23 0.48 0.57 1.82 0.15 -1.77 116.42 117.77 2pbx h ASP 66 Ca 0.05 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2pbx h ASP 66 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2pbx h ASP 66 CO -0.11 0.17 -0.23 0.44 -1.61 0.00 0.00 179.24 177.90 2pbx h ASP 67 N 0.37 -0.54 -0.38 2.28 3.32 -0.09 -1.16 116.42 120.22 2pbx h ASP 67 Ca 0.20 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.26 2pbx h ASP 67 Cb 0.15 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.75 2pbx h ASP 67 CO -0.17 -0.25 -0.31 0.58 -1.72 0.00 0.00 179.24 177.36 2pbx h VAL 68 N -0.83 0.25 -0.30 -1.35 2.07 -1.07 0.23 116.25 115.26 2pbx h VAL 68 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2pbx h VAL 68 Cb 0.57 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2pbx h VAL 68 CO 0.11 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.69 2pbx h LEU 69 N -0.25 0.40 -1.17 2.57 3.38 -1.32 0.17 115.31 119.08 2pbx h LEU 69 Ca 0.17 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2pbx h LEU 69 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2pbx h LEU 69 CO -0.52 0.42 -0.38 0.78 0.09 0.00 0.00 178.44 178.82 2pbx h ASN 70 N 0.43 0.00 -0.10 -0.43 -0.26 0.29 -1.81 115.58 113.70 2pbx h ASN 70 Ca 0.10 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.81 2pbx h ASN 70 Cb 0.19 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2pbx h ASN 70 CO -0.00 0.38 -0.08 0.15 -1.06 0.00 0.00 177.43 176.82 2pbx h PHE 71 N 0.00 0.26 0.00 1.19 3.57 0.13 -2.30 116.94 119.80 2pbx h PHE 71 Ca -0.00 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 2pbx h PHE 71 Cb 0.75 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2pbx h PHE 71 CO 0.00 0.62 -0.28 -0.39 -2.23 0.00 0.00 178.31 176.04 2pbx h VAL 72 N -0.17 1.13 -0.03 1.41 -1.51 -1.05 -1.36 116.25 114.68 2pbx h VAL 72 Ca 0.02 -0.96 -0.14 0.00 -1.23 0.00 0.00 66.70 64.39 2pbx h VAL 72 Cb 0.57 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 2pbx h VAL 72 CO 0.02 0.27 -0.63 0.58 -1.23 0.00 0.00 177.57 176.58 2pbx h VAL 73 N 0.00 1.43 -0.15 7.19 2.07 -1.23 -1.65 116.25 123.90 2pbx h VAL 73 Ca -0.00 -2.10 -0.21 0.00 0.82 0.00 0.00 66.70 65.21 2pbx h VAL 73 Cb 0.51 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2pbx h VAL 73 CO 0.04 0.61 -0.72 -0.09 0.02 0.00 0.00 177.57 177.42 2pbx h ARG 74 N 0.07 0.76 -0.13 1.57 1.12 -0.81 -1.25 114.38 115.72 2pbx h ARG 74 Ca -0.01 -0.61 0.00 0.00 -1.11 0.00 0.00 59.98 58.25 2pbx h ARG 74 Cb 1.12 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 2pbx h ARG 74 CO 0.09 1.22 0.07 1.96 -3.11 0.00 0.00 179.97 180.21 2pbx h GLN 75 N 0.48 0.15 -0.56 0.20 1.08 -1.15 -0.50 115.11 114.83 2pbx h GLN 75 Ca -0.05 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 2pbx h GLN 75 Cb 1.35 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 2pbx h GLN 75 CO 0.15 0.10 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.12 2pbx h TYR 76 N 0.16 1.16 -0.28 2.96 3.20 -1.33 -0.58 116.97 122.26 2pbx h TYR 76 Ca 0.05 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 2pbx h TYR 76 Cb -0.00 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2pbx h TYR 76 CO -0.08 1.06 0.18 1.03 -1.64 0.00 0.00 178.16 178.71 2pbx h SER 77 N 0.93 0.33 0.89 -2.11 0.87 -0.94 0.68 113.55 114.20 2pbx h SER 77 Ca 0.15 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.47 2pbx h SER 77 Cb 0.66 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2pbx h SER 77 CO 0.05 0.25 -1.10 0.78 -0.53 0.00 0.00 176.83 176.27 2pbx h ASN 78 N 0.39 0.09 -0.69 6.23 2.35 -0.62 -2.65 115.58 120.67 2pbx h ASN 78 Ca 0.10 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2pbx h ASN 78 Cb -0.02 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2pbx h ASN 78 CO -0.02 1.08 0.37 0.15 -1.65 0.00 0.00 177.43 177.36 2pbx h PHE 79 N 0.02 0.98 0.12 1.19 3.57 0.10 -0.83 116.94 122.09 2pbx h PHE 79 Ca -0.06 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.23 2pbx h PHE 79 Cb 1.83 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 40.27 2pbx h PHE 79 CO 0.01 0.69 -0.87 -0.07 -2.23 0.00 0.00 178.31 175.85 2pbx h LEU 80 N 1.00 0.39 -1.41 0.59 3.38 -0.88 -2.41 115.31 115.96 2pbx h LEU 80 Ca 0.25 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2pbx h LEU 80 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2pbx h LEU 80 CO -0.04 1.40 0.00 0.71 0.09 0.00 0.00 178.44 180.60 2pbx h THR 81 N -0.44 0.00 0.00 0.22 1.35 -1.43 0.78 112.91 113.39 2pbx h THR 81 Ca -0.17 -0.04 -0.13 0.00 -0.55 0.00 0.00 66.41 65.52 2pbx h THR 81 Cb 1.59 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2pbx h THR 81 CO 0.11 0.00 -0.79 0.44 -0.25 0.00 0.00 175.52 175.03 2pbx h ASP 82 N 0.00 0.00 -0.14 5.36 5.19 -1.12 -3.41 116.42 122.31 2pbx h ASP 82 Ca 0.00 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2pbx h ASP 82 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2pbx h ASP 82 CO 0.00 1.20 0.00 1.41 -3.12 0.00 0.00 179.24 178.73 2pbx n HIS 83 N -4.52 0.16 -3.71 4.55 8.25 -0.91 -4.86 115.22 114.18 2pbx n HIS 83 Ca -0.21 -0.08 -0.38 0.00 -0.26 0.00 0.00 57.72 56.79 2pbx n HIS 83 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 2pbx n HIS 83 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pbx s ILE 84 N -1.84 4.30 -0.41 1.59 1.01 0.24 -4.52 121.20 121.57 2pbx s ILE 84 Ca 0.33 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2pbx s ILE 84 Cb 0.21 -3.19 0.11 0.00 0.01 0.00 0.00 42.46 39.59 2pbx s ILE 84 CO 0.31 0.09 0.22 -0.62 0.00 0.00 0.00 174.94 174.94 2pbx s ASP 85 N 1.56 5.31 0.55 3.58 -1.08 -1.26 -4.84 116.67 120.49 2pbx s ASP 85 Ca 0.04 -1.98 0.23 0.00 -0.52 0.00 0.00 52.55 50.33 2pbx s ASP 85 Cb -0.17 -1.85 1.44 0.00 -1.46 0.00 0.00 42.92 40.88 2pbx s ASP 85 CO 0.04 -0.55 2.08 -0.07 0.52 0.00 0.00 175.17 177.19 2pbx h LEU 86 N 8.11 0.00 -1.92 -1.34 3.38 -1.99 0.26 115.31 121.81 2pbx h LEU 86 Ca -0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2pbx h LEU 86 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2pbx h LEU 86 CO 0.71 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 179.58 2pbx h ASP 87 N 0.00 0.00 -3.89 -0.43 5.19 -2.03 -3.45 116.42 111.81 2pbx h ASP 87 Ca 0.12 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.07 2pbx h ASP 87 Cb 0.53 0.00 0.10 0.00 0.18 0.00 0.00 39.33 40.15 2pbx h ASP 87 CO -0.00 0.11 0.31 -0.76 -3.12 0.00 0.00 179.24 175.78 2pbx s LEU 88 N -7.12 2.72 0.09 1.55 1.43 0.92 -5.04 118.68 113.23 2pbx s LEU 88 Ca -0.03 0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 53.18 2pbx s LEU 88 Cb 0.13 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 2pbx s LEU 88 CO 0.57 -1.97 1.35 -0.62 0.23 0.00 0.00 176.35 175.91 2pbx s ASP 89 N -4.64 6.89 0.33 2.29 2.15 -1.26 -4.92 116.67 117.50 2pbx s ASP 89 Ca 0.64 2.23 0.04 0.00 0.43 0.00 0.00 52.55 55.90 2pbx s ASP 89 Cb -0.09 -2.58 0.66 0.00 -0.30 0.00 0.00 42.92 40.61 2pbx s ASP 89 CO 0.48 -0.62 1.91 1.62 -0.17 0.00 0.00 175.17 178.39 2pbx h VAL 90 N 4.39 0.99 0.00 1.11 3.04 -1.94 0.68 116.25 124.52 2pbx h VAL 90 Ca -0.42 -0.30 -0.04 0.00 -1.01 0.00 0.00 66.70 64.94 2pbx h VAL 90 Cb 1.21 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 2pbx h VAL 90 CO 0.86 0.16 -0.19 0.50 -1.01 0.00 0.00 177.57 177.88 2pbx h LYS 91 N 0.87 0.00 0.00 4.17 3.64 -1.99 -2.16 116.57 121.09 2pbx h LYS 91 Ca 0.38 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2pbx h LYS 91 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2pbx h LYS 91 CO -0.15 0.19 -0.04 1.15 -2.27 0.00 0.00 179.45 178.33 2pbx h THR 92 N 0.00 1.65 -0.81 1.00 2.02 -1.32 -2.94 112.91 112.51 2pbx h THR 92 Ca -0.00 -1.97 0.15 0.00 0.77 0.00 0.00 66.41 65.36 2pbx h THR 92 Cb 0.43 2.98 -0.10 0.00 -1.74 0.00 0.00 68.15 69.72 2pbx h THR 92 CO 0.02 0.51 0.36 0.78 0.37 0.00 0.00 175.52 177.57 2pbx h ASN 93 N -0.79 0.38 -0.45 4.18 2.35 -0.83 0.16 115.58 120.58 2pbx h ASN 93 Ca -0.01 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2pbx h ASN 93 Cb 0.86 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2pbx h ASN 93 CO 0.01 0.13 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.75 2pbx h LEU 94 N 0.50 0.90 -1.19 1.61 3.38 -1.49 0.35 115.31 119.37 2pbx h LEU 94 Ca 0.45 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2pbx h LEU 94 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2pbx h LEU 94 CO -0.41 1.02 -0.17 1.56 0.09 0.00 0.00 178.44 180.54 2pbx h GLN 95 N 0.82 0.36 0.04 1.13 1.08 -0.96 -1.55 115.11 116.01 2pbx h GLN 95 Ca 0.13 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2pbx h GLN 95 Cb 0.63 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2pbx h GLN 95 CO 0.04 0.52 -0.02 1.15 -0.95 0.00 0.00 178.83 179.57 2pbx h THR 96 N 0.33 0.80 -0.85 -0.54 2.02 -0.18 -2.68 112.91 111.81 2pbx h THR 96 Ca 0.06 -1.50 0.22 0.00 0.77 0.00 0.00 66.41 65.96 2pbx h THR 96 Cb 0.49 1.49 -0.14 0.00 -1.74 0.00 0.00 68.15 68.24 2pbx h THR 96 CO 0.03 0.26 0.14 -0.07 0.37 0.00 0.00 175.52 176.25 2pbx h LEU 97 N -0.98 -0.16 -0.32 2.58 3.38 -0.33 0.08 115.31 119.56 2pbx h LEU 97 Ca -0.01 0.21 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2pbx h LEU 97 Cb 0.47 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pbx h LEU 97 CO 0.01 -0.19 -0.32 0.00 0.09 0.00 0.00 178.44 178.03 2pbx h LYS 99 N 0.56 0.50 -0.77 0.00 3.64 -0.97 -0.67 116.57 118.86 2pbx h LYS 99 Ca 0.05 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2pbx h LYS 99 Cb 0.90 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 2pbx h LYS 99 CO 0.08 0.72 0.40 0.93 -2.27 0.00 0.00 179.45 179.31 2pbx h GLU 100 N 0.24 1.09 -0.67 1.90 4.39 -1.05 -1.13 114.58 119.36 2pbx h GLU 100 Ca 0.06 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2pbx h GLU 100 Cb 0.54 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2pbx h GLU 100 CO 0.03 0.83 0.25 1.98 -1.16 0.00 0.00 179.01 180.94 2pbx h MET 101 N 1.08 1.01 -0.55 2.33 4.05 -1.22 -1.87 114.93 119.75 2pbx h MET 101 Ca 0.27 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 2pbx h MET 101 Cb 0.08 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 2pbx h MET 101 CO -0.04 0.85 0.25 0.28 0.23 0.00 0.00 176.91 178.48 2pbx h VAL 102 N 0.95 1.21 0.55 -5.77 2.07 -0.40 0.38 116.25 115.24 2pbx h VAL 102 Ca 0.22 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2pbx h VAL 102 Cb 0.23 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2pbx h VAL 102 CO -0.02 0.24 -0.35 0.11 0.02 0.00 0.00 177.57 177.58 2pbx h LYS 103 N 0.75 -0.81 -0.89 1.57 1.57 -1.03 0.25 116.57 117.97 2pbx h LYS 103 Ca 0.19 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.25 2pbx h LYS 103 Cb 0.14 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.51 2pbx h LYS 103 CO -0.02 -0.54 0.37 1.25 -0.57 0.00 0.00 179.45 179.93 2pbx h LEU 104 N -0.84 0.28 -1.76 2.94 5.85 -1.32 1.00 115.31 121.46 2pbx h LEU 104 Ca -0.07 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2pbx h LEU 104 Cb 0.68 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2pbx h LEU 104 CO 0.07 -0.03 -0.16 0.00 -0.34 0.00 0.00 178.44 177.98 2pbx h ALA 105 N 1.72 1.55 0.00 1.25 0.00 -0.50 -1.57 119.26 121.71 2pbx h ALA 105 Ca 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2pbx h ALA 105 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pbx h ALA 105 CO -0.54 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 177.58 2pbx n MET 106 N -4.08 0.52 -0.08 0.00 2.81 0.34 -2.28 117.12 114.35 2pbx n MET 106 Ca -0.02 0.02 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 2pbx n MET 106 Cb 0.24 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 31.38 2pbx n MET 106 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2pbx n THR 107 N -1.22 0.24 -3.27 2.03 -2.24 -0.59 -4.96 114.28 104.27 2pbx n THR 107 Ca 0.15 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 2pbx n THR 107 Cb 0.19 1.20 0.07 0.00 -2.10 0.00 0.00 70.33 69.69 2pbx n THR 107 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2pbx n ASP 108 N 1.19 -3.75 -4.64 3.42 2.03 -0.97 -4.91 116.55 108.93 2pbx n ASP 108 Ca 0.14 -0.47 -0.43 0.00 0.52 0.00 0.00 54.79 54.56 2pbx n ASP 108 Cb 0.52 -4.21 -0.03 0.00 -0.72 0.00 0.00 41.12 36.68 2pbx n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pbx h HIS 110 N 11.51 1.17 0.00 0.00 -0.00 -1.91 -2.85 115.15 123.07 2pbx h HIS 110 Ca -0.41 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.37 59.74 2pbx h HIS 110 Cb 1.20 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2pbx h HIS 110 CO 0.93 1.02 -0.13 0.11 -0.00 0.00 0.00 177.93 179.86 2pbx h TRP 111 N 0.98 0.00 -0.06 2.45 5.08 -1.90 -1.87 115.95 120.63 2pbx h TRP 111 Ca 0.18 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.00 2pbx h TRP 111 Cb 0.54 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.71 2pbx h TRP 111 CO 0.04 0.13 -0.54 1.25 -1.28 0.00 0.00 178.44 178.04 2pbx h LEU 112 N 0.00 0.58 -0.10 0.11 5.85 -1.93 -1.57 115.31 118.25 2pbx h LEU 112 Ca -0.00 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 2pbx h LEU 112 Cb 0.72 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2pbx h LEU 112 CO 0.02 1.18 0.05 0.50 -0.34 0.00 0.00 178.44 179.85 2pbx h LYS 113 N 0.02 0.15 -0.65 1.25 3.64 -1.39 -1.57 116.57 118.02 2pbx h LYS 113 Ca -0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2pbx h LYS 113 Cb 1.22 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2pbx h LYS 113 CO 0.11 0.22 0.27 0.28 -2.27 0.00 0.00 179.45 178.06 2pbx h VAL 114 N 0.05 1.22 -0.12 2.00 2.07 -1.41 -1.86 116.25 118.19 2pbx h VAL 114 Ca 0.04 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 2pbx h VAL 114 Cb 0.12 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2pbx h VAL 114 CO -0.00 0.28 -0.51 -0.25 0.02 0.00 0.00 177.57 177.10 2pbx h TRP 115 N 0.93 0.39 0.04 1.57 7.01 -0.96 -1.46 115.95 123.47 2pbx h TRP 115 Ca 0.22 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2pbx h TRP 115 Cb 0.16 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2pbx h TRP 115 CO 0.01 0.77 -0.02 0.74 -2.79 0.00 0.00 178.44 177.15 2pbx h PHE 116 N 0.25 -0.05 -0.64 2.65 0.05 -1.00 -1.19 116.94 117.01 2pbx h PHE 116 Ca 0.01 -0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.83 2pbx h PHE 116 Cb 0.99 0.02 -0.04 0.00 2.00 0.00 0.00 35.95 38.92 2pbx h PHE 116 CO 0.02 0.52 0.39 1.49 -0.18 0.00 0.00 178.31 180.56 2pbx h GLU 117 N -0.67 0.73 0.00 1.51 4.81 -1.40 0.46 114.58 120.02 2pbx h GLU 117 Ca -0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2pbx h GLU 117 Cb 0.60 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2pbx h GLU 117 CO 0.01 0.49 -0.21 2.35 -0.73 0.00 0.00 179.01 180.92 2pbx h TRP 118 N 0.76 0.00 0.00 0.92 7.01 -1.27 -2.33 115.95 121.03 2pbx h TRP 118 Ca 0.26 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.17 2pbx h TRP 118 Cb 0.05 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2pbx h TRP 118 CO -0.05 0.21 -0.44 0.66 -2.79 0.00 0.00 178.44 176.02 2pbx h SER 119 N 0.00 0.00 -0.74 2.65 4.64 0.35 -3.26 113.55 117.19 2pbx h SER 119 Ca -0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 2pbx h SER 119 Cb 0.55 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.38 2pbx h SER 119 CO 0.03 0.44 0.20 0.00 -0.87 0.00 0.00 176.83 176.63 2pbx n ALA 120 N -2.25 5.29 -2.70 5.18 0.00 -0.59 -5.00 120.51 120.44 2pbx n ALA 120 Ca 0.01 -3.31 -0.37 0.00 0.00 0.00 0.00 53.44 49.77 2pbx n ALA 120 Cb 0.64 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 2pbx n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pbx s SER 121 N -2.29 6.59 0.00 0.00 0.15 -1.14 -4.98 113.70 112.03 2pbx s SER 121 Ca 0.54 0.70 0.22 0.00 0.70 0.00 0.00 55.95 58.11 2pbx s SER 121 Cb 0.45 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 2pbx s SER 121 CO 0.03 0.36 1.05 0.35 1.20 0.00 0.00 173.24 176.23 2pbx n THR 122 N 1.97 0.00 -1.66 6.45 -2.24 -1.26 -4.31 114.28 113.23 2pbx n THR 122 Ca -0.17 -0.12 -0.47 0.00 -2.27 0.00 0.00 64.05 61.02 2pbx n THR 122 Cb 0.54 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 2pbx n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pbx n ARG 123 N -0.78 2.01 0.00 -0.78 1.74 -1.26 -4.84 116.66 112.74 2pbx n ARG 123 Ca 0.07 0.72 0.06 0.00 -0.77 0.00 0.00 57.85 57.93 2pbx n ARG 123 Cb 0.39 -2.47 0.33 0.00 -1.02 0.00 0.00 32.46 29.68 2pbx n ARG 123 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2pbx n ASP 124 N 3.27 0.00 -1.50 0.55 8.00 -1.26 -2.20 116.55 123.41 2pbx n ASP 124 Ca 0.17 -0.14 0.02 0.00 0.71 0.00 0.00 54.79 55.55 2pbx n ASP 124 Cb 0.27 -0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.31 2pbx n ASP 124 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2pbx n GLU 125 N -1.13 0.80 0.06 -1.24 0.00 -1.26 -4.76 120.64 113.10 2pbx n GLU 125 Ca 0.07 -2.62 0.00 0.00 0.00 0.00 0.00 57.16 54.61 2pbx n GLU 125 Cb 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 31.44 30.79 2pbx n GLU 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2pbx n VAL 126 N -0.09 0.13 -0.05 3.84 0.31 -0.94 -4.82 118.33 116.71 2pbx n VAL 126 Ca 0.11 0.04 0.17 0.00 -0.01 0.00 0.00 64.34 64.65 2pbx n VAL 126 Cb 0.99 -0.47 0.60 0.00 -0.91 0.00 0.00 33.84 34.05 2pbx n VAL 126 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 2pbx h TRP 127 N 0.00 0.23 -0.22 3.52 5.08 -1.68 0.36 115.95 123.24 2pbx h TRP 127 Ca 0.00 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.91 2pbx h TRP 127 Cb 0.00 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.07 2pbx h TRP 127 CO 0.00 0.10 -0.17 -1.35 -1.28 0.00 0.00 178.44 175.74 2pbx h PRO 128 N 0.20 0.38 -0.20 0.12 0.11 -1.86 -1.17 132.00 129.58 2pbx h PRO 128 Ca 0.28 -0.11 -0.17 0.00 0.11 0.00 0.00 66.00 66.11 2pbx h PRO 128 Cb 0.82 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2pbx h PRO 128 CO -0.05 0.55 -0.56 1.25 -0.21 0.00 0.00 178.00 178.98 2pbx h LEU 129 N 0.35 0.69 -0.48 2.35 5.85 -1.26 -1.92 115.31 120.89 2pbx h LEU 129 Ca 0.06 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2pbx h LEU 129 Cb 0.51 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2pbx h LEU 129 CO 0.03 1.11 0.25 0.15 -0.34 0.00 0.00 178.44 179.64 2pbx h PHE 130 N 0.47 0.67 -0.87 1.25 3.57 -0.99 -1.38 116.94 119.67 2pbx h PHE 130 Ca 0.01 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2pbx h PHE 130 Cb 1.12 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 2pbx h PHE 130 CO 0.05 0.52 0.44 0.28 -2.23 0.00 0.00 178.31 177.37 2pbx h VAL 131 N 0.63 1.26 0.80 1.41 2.07 -1.10 0.15 116.25 121.47 2pbx h VAL 131 Ca 0.17 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2pbx h VAL 131 Cb 0.09 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2pbx h VAL 131 CO -0.02 0.31 -0.38 -1.28 0.02 0.00 0.00 177.57 176.21 2pbx h SER 132 N 1.23 -0.90 0.41 0.57 0.87 -0.93 -2.13 113.55 112.66 2pbx h SER 132 Ca 0.30 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.81 2pbx h SER 132 Cb 0.09 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2pbx h SER 132 CO -0.04 -0.61 -0.34 0.74 -0.53 0.00 0.00 176.83 176.05 2pbx h THR 133 N -1.14 1.15 -0.42 2.23 2.02 -1.19 -3.02 112.91 112.54 2pbx h THR 133 Ca -0.11 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2pbx h THR 133 Cb 0.83 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2pbx h THR 133 CO 0.18 0.33 0.00 -3.20 0.37 0.00 0.00 175.52 173.20 2pbx n ASN 134 N -4.00 2.70 0.30 4.18 2.85 0.50 -4.36 115.26 117.44 2pbx n ASN 134 Ca -0.02 -1.94 0.19 0.00 -0.11 0.00 0.00 54.58 52.70 2pbx n ASN 134 Cb 0.39 -0.28 0.94 0.00 1.24 0.00 0.00 39.78 42.07 2pbx n ASN 134 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2pbx h ARG 135 N 3.18 0.00 0.17 1.20 0.11 -1.25 -1.66 114.38 116.14 2pbx h ARG 135 Ca 0.00 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.82 2pbx h ARG 135 Cb 0.72 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.81 2pbx h ARG 135 CO 0.00 0.03 -1.23 1.15 0.10 0.00 0.00 179.97 180.02 2pbx h THR 136 N 0.00 1.28 0.00 0.08 2.02 -1.84 -2.78 112.91 111.68 2pbx h THR 136 Ca -0.00 -2.54 -0.03 0.00 0.77 0.00 0.00 66.41 64.60 2pbx h THR 136 Cb 0.23 3.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2pbx h THR 136 CO 0.00 0.75 -0.15 0.78 0.37 0.00 0.00 175.52 177.28 2pbx h ASN 137 N -0.17 0.00 -0.01 4.18 2.35 -1.71 -1.92 115.58 118.30 2pbx h ASN 137 Ca -0.23 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.29 2pbx h ASN 137 Cb 1.85 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.24 2pbx h ASN 137 CO 0.16 0.15 -0.86 -0.61 -1.65 0.00 0.00 177.43 174.62 2pbx h GLN 138 N 0.00 0.61 -0.79 0.81 5.75 -1.38 -2.31 115.11 117.80 2pbx h GLN 138 Ca -0.00 -0.64 0.06 0.00 -0.15 0.00 0.00 58.65 57.92 2pbx h GLN 138 Cb 0.29 0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 2pbx h GLN 138 CO 0.02 1.24 0.51 -0.07 -2.65 0.00 0.00 178.83 177.89 2pbx h LEU 139 N 0.23 0.76 0.47 -2.39 4.07 -1.16 0.76 115.31 118.04 2pbx h LEU 139 Ca -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2pbx h LEU 139 Cb 1.54 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 2pbx h LEU 139 CO 0.17 0.49 -0.35 0.25 -1.08 0.00 0.00 178.44 177.93 2pbx h LEU 140 N 0.86 -0.91 -0.05 1.67 7.12 -1.26 0.62 115.31 123.36 2pbx h LEU 140 Ca 0.33 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.41 2pbx h LEU 140 Cb 0.21 0.29 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2pbx h LEU 140 CO -0.11 -0.52 0.02 0.40 -0.13 0.00 0.00 178.44 178.10 2pbx h ILE 141 N -0.81 1.12 0.17 4.05 1.08 -0.76 -2.04 117.51 120.33 2pbx h ILE 141 Ca -0.05 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 2pbx h ILE 141 Cb 0.68 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 2pbx h ILE 141 CO 0.01 0.10 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.18 2pbx h ARG 142 N -0.06 -0.53 0.00 2.37 2.43 0.63 -1.50 114.38 117.71 2pbx h ARG 142 Ca 0.02 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2pbx h ARG 142 Cb 0.14 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2pbx h ARG 142 CO -0.00 -0.36 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.17 2pbx h ASN 143 N -0.55 0.00 0.31 -3.80 4.21 0.26 0.32 115.58 116.33 2pbx h ASN 143 Ca 0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2pbx h ASN 143 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2pbx h ASN 143 CO -0.14 0.02 -0.15 -0.03 -1.29 0.00 0.00 177.43 175.84 2pbx h MET 144 N 0.00 -0.40 -0.67 0.81 1.85 -0.53 -0.06 114.93 115.92 2pbx h MET 144 Ca -0.00 0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 2pbx h MET 144 Cb 0.08 0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.16 2pbx h MET 144 CO 0.00 -0.12 0.29 0.74 -0.40 0.00 0.00 176.91 177.43 2pbx h PHE 145 N -0.67 0.98 -0.82 1.39 -1.00 -0.59 -2.27 116.94 113.96 2pbx h PHE 145 Ca -0.04 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.70 2pbx h PHE 145 Cb 0.47 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 2pbx h PHE 145 CO 0.01 0.73 0.54 1.98 -1.61 0.00 0.00 178.31 179.96 2pbx h MET 146 N 0.96 1.05 -0.23 1.51 4.05 -0.22 -1.84 114.93 120.21 2pbx h MET 146 Ca 0.23 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.56 2pbx h MET 146 Cb 0.15 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2pbx h MET 146 CO -0.02 0.69 0.04 -0.22 0.23 0.00 0.00 176.91 177.63 2pbx h LYS 147 N 1.08 0.38 0.00 0.39 3.64 -0.58 -2.17 116.57 119.31 2pbx h LYS 147 Ca 0.31 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2pbx h LYS 147 Cb -0.09 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2pbx h LYS 147 CO -0.08 0.51 -0.01 0.00 -2.27 0.00 0.00 179.45 177.60 2pbx h ALA 148 N 0.85 1.42 -0.01 5.00 0.00 -1.16 -1.44 119.26 123.92 2pbx h ALA 148 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2pbx h ALA 148 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pbx h ALA 148 CO 0.00 0.02 -0.11 1.98 0.00 0.00 0.00 179.25 181.15 2pbx h MET 149 N 0.00 0.09 0.00 0.00 1.85 -0.90 0.40 114.93 116.38 2pbx h MET 149 Ca -0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2pbx h MET 149 Cb 0.04 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.10 2pbx h MET 149 CO 0.00 0.80 0.00 0.93 -0.40 0.00 0.00 176.91 178.24 2pbx h GLU 150 N -0.59 0.00 0.00 0.39 5.08 -0.73 -0.98 114.58 117.74 2pbx h GLU 150 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2pbx h GLU 150 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2pbx h GLU 150 CO 0.02 0.00 -0.67 0.54 -1.00 0.00 0.00 179.01 177.90 2pbx n ARG 151 N -2.32 0.11 -0.98 2.33 1.74 -0.62 -4.95 116.66 111.97 2pbx n ARG 151 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2pbx n ARG 151 Cb 0.14 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2pbx n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pbx n GLY 152 N 1.44 0.73 0.08 -0.13 0.00 -0.37 -4.96 105.19 101.98 2pbx n GLY 152 Ca 0.04 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2pbx n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pbx n GLU 153 N -1.90 0.64 -5.15 1.61 1.02 0.12 -4.90 120.64 112.06 2pbx n GLU 153 Ca 0.00 0.29 -0.32 0.00 -0.02 0.00 0.00 57.16 57.12 2pbx n GLU 153 Cb 0.16 -1.79 -0.16 0.00 -0.02 0.00 0.00 31.44 29.63 2pbx n GLU 153 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pbx s LEU 154 N -6.11 2.26 0.06 -4.62 1.43 -1.19 -4.19 118.68 106.32 2pbx s LEU 154 Ca -0.05 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 2pbx s LEU 154 Cb 0.08 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.78 2pbx s LEU 154 CO 0.82 0.27 1.95 0.00 0.23 0.00 0.00 176.35 179.62 2pbx n GLU 156 N 7.10 0.00 0.16 0.00 4.71 -1.26 -2.52 120.64 128.83 2pbx n GLU 156 Ca 0.20 0.18 0.01 0.00 -0.01 0.00 0.00 57.16 57.54 2pbx n GLU 156 Cb 0.40 -1.51 0.24 0.00 -1.01 0.00 0.00 31.44 29.56 2pbx n GLU 156 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 2pbx h LYS 157 N 0.00 0.00 -6.89 3.49 2.10 -1.96 -3.45 116.57 109.86 2pbx h LYS 157 Ca 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 2pbx h LYS 157 Cb 0.03 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2pbx h LYS 157 CO 0.00 0.53 0.42 -1.01 -2.00 0.00 0.00 179.45 177.39 2pbx s HIS 158 N -3.73 3.45 -0.08 0.07 3.76 -1.05 -5.02 115.29 112.69 2pbx s HIS 158 Ca -0.01 1.69 -0.26 0.00 -0.15 0.00 0.00 55.06 56.33 2pbx s HIS 158 Cb 0.13 -3.15 -0.03 0.00 1.11 0.00 0.00 32.58 30.64 2pbx s HIS 158 CO 0.74 -0.45 0.83 0.34 -0.85 0.00 0.00 174.74 175.35 2pbx s ASP 159 N -1.34 7.10 0.12 1.40 -1.08 -1.26 -4.95 116.67 116.66 2pbx s ASP 159 Ca 0.52 1.33 -0.18 0.00 -0.52 0.00 0.00 52.55 53.70 2pbx s ASP 159 Cb -0.25 -2.47 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 2pbx s ASP 159 CO 0.32 -0.25 1.73 1.62 0.52 0.00 0.00 175.17 179.10 2pbx h VAL 160 N 4.90 1.13 -0.70 1.11 3.04 -1.97 -0.59 116.25 123.18 2pbx h VAL 160 Ca -0.37 -0.34 0.06 0.00 -1.01 0.00 0.00 66.70 65.04 2pbx h VAL 160 Cb 1.18 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 2pbx h VAL 160 CO 0.78 0.13 0.46 0.44 -1.01 0.00 0.00 177.57 178.37 2pbx h ASP 161 N 0.36 0.65 0.59 3.17 3.32 -1.94 0.39 116.42 122.97 2pbx h ASP 161 Ca 0.10 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 2pbx h ASP 161 Cb 0.06 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pbx h ASP 161 CO -0.02 0.42 -0.81 0.78 -1.72 0.00 0.00 179.24 177.89 2pbx h ASN 162 N 0.74 0.20 -0.51 6.45 -0.26 -1.91 -2.69 115.58 117.60 2pbx h ASN 162 Ca 0.30 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.85 2pbx h ASN 162 Cb 0.24 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2pbx h ASN 162 CO -0.10 0.93 0.19 -0.03 -1.06 0.00 0.00 177.43 177.37 2pbx h MET 163 N 0.09 0.78 0.36 0.81 4.05 0.65 0.53 114.93 122.20 2pbx h MET 163 Ca -0.03 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 2pbx h MET 163 Cb 1.42 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 2pbx h MET 163 CO 0.12 0.69 -0.17 0.00 0.23 0.00 0.00 176.91 177.78 2pbx h ALA 164 N 1.04 -0.48 -0.58 0.39 0.00 -1.12 -0.10 119.26 118.42 2pbx h ALA 164 Ca 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2pbx h ALA 164 Cb 0.22 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2pbx h ALA 164 CO -0.01 -0.76 0.14 0.66 0.00 0.00 0.00 179.25 179.28 2pbx h SER 165 N -0.49 0.88 -0.28 0.00 4.64 -1.46 -1.16 113.55 115.68 2pbx h SER 165 Ca -0.05 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 2pbx h SER 165 Cb 0.38 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2pbx h SER 165 CO 0.08 0.89 0.09 0.25 -0.87 0.00 0.00 176.83 177.27 2pbx h LEU 166 N 0.84 0.11 -0.46 5.97 5.85 -0.74 -0.19 115.31 126.68 2pbx h LEU 166 Ca 0.18 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2pbx h LEU 166 Cb 0.35 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2pbx h LEU 166 CO 0.00 0.09 0.21 0.15 -0.34 0.00 0.00 178.44 178.56 2pbx h PHE 167 N 0.22 0.38 -0.99 1.25 3.57 -0.70 -0.34 116.94 120.33 2pbx h PHE 167 Ca 0.12 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2pbx h PHE 167 Cb 0.09 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 2pbx h PHE 167 CO -0.13 0.18 0.64 1.25 -2.23 0.00 0.00 178.31 178.01 2pbx h HIS 168 N 0.42 1.17 -0.49 0.41 2.76 -0.47 0.89 115.15 119.83 2pbx h HIS 168 Ca 0.21 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2pbx h HIS 168 Cb 0.15 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 2pbx h HIS 168 CO -0.12 0.58 0.32 0.78 -1.30 0.00 0.00 177.93 178.19 2pbx h GLY 169 N 1.12 0.69 0.91 5.26 0.00 0.43 0.32 103.07 111.80 2pbx h GLY 169 Ca 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2pbx h GLY 169 CO -0.18 0.24 0.09 -2.22 0.00 0.00 0.00 176.54 174.46 2pbx h ILE 170 N 0.66 1.14 -0.27 2.60 2.04 0.53 -0.05 117.51 124.16 2pbx h ILE 170 Ca 0.18 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2pbx h ILE 170 Cb -0.06 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2pbx h ILE 170 CO -0.05 0.14 -0.36 0.15 0.00 0.00 0.00 178.15 178.03 2pbx h PHE 171 N 0.16 -1.09 -0.73 1.37 3.57 0.15 0.20 116.94 120.58 2pbx h PHE 171 Ca 0.06 0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.77 2pbx h PHE 171 Cb 0.14 0.51 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2pbx h PHE 171 CO -0.02 -0.31 0.24 -0.92 -2.23 0.00 0.00 178.31 175.07 2pbx h TYR 172 N -0.25 0.39 -0.44 0.41 3.20 -0.30 0.54 116.97 120.53 2pbx h TYR 172 Ca 0.05 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2pbx h TYR 172 Cb 0.38 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2pbx h TYR 172 CO -0.69 -0.01 0.19 1.03 -1.64 0.00 0.00 178.16 177.05 2pbx h SER 173 N 0.35 0.56 -0.27 -2.11 0.87 0.65 0.25 113.55 113.85 2pbx h SER 173 Ca 0.41 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.83 2pbx h SER 173 Cb 0.66 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2pbx h SER 173 CO -0.45 0.49 -0.17 0.40 -0.53 0.00 0.00 176.83 176.57 2pbx h ILE 174 N 0.62 1.30 -0.69 2.23 2.04 0.15 -2.83 117.51 120.33 2pbx h ILE 174 Ca 0.15 -1.29 0.10 0.00 1.00 0.00 0.00 64.86 64.82 2pbx h ILE 174 Cb 0.10 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2pbx h ILE 174 CO -0.02 0.41 0.33 0.15 0.00 0.00 0.00 178.15 179.02 2pbx h PHE 175 N 0.32 0.58 -0.15 1.37 3.57 0.02 -1.06 116.94 121.59 2pbx h PHE 175 Ca 0.05 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2pbx h PHE 175 Cb 0.70 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2pbx h PHE 175 CO 0.07 0.19 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.19 2pbx h LEU 176 N 0.55 0.21 -0.21 0.59 3.38 -0.89 -2.09 115.31 116.86 2pbx h LEU 176 Ca 0.35 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 2pbx h LEU 176 Cb 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2pbx h LEU 176 CO -0.28 0.32 -0.73 1.56 0.09 0.00 0.00 178.44 179.40 2pbx h GLN 177 N 0.22 0.00 0.00 1.13 1.08 -1.06 -3.24 115.11 113.24 2pbx h GLN 177 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2pbx h GLN 177 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2pbx h GLN 177 CO 0.01 0.73 0.12 1.55 -0.95 0.00 0.00 178.83 180.30 2pbx n VAL 178 N -3.39 0.62 -0.01 -0.54 3.14 -0.49 -1.40 118.33 116.25 2pbx n VAL 178 Ca 0.00 0.27 -0.01 0.00 -2.96 0.00 0.00 64.34 61.64 2pbx n VAL 178 Cb 0.79 -1.27 -0.01 0.00 -1.06 0.00 0.00 33.84 32.28 2pbx n VAL 178 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2pbx n ASN 179 N -1.06 4.06 0.21 6.55 2.85 -1.22 -2.83 115.26 123.82 2pbx n ASN 179 Ca 0.00 -0.01 0.07 0.00 -0.11 0.00 0.00 54.58 54.53 2pbx n ASN 179 Cb 0.12 0.17 0.46 0.00 1.24 0.00 0.00 39.78 41.77 2pbx n ASN 179 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2pbx h ARG 180 N 0.00 0.00 0.00 1.20 -0.00 -1.46 -3.33 114.38 110.79 2pbx h ARG 180 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2pbx h ARG 180 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2pbx h ARG 180 CO -0.00 0.29 -0.34 1.28 0.00 0.00 0.00 179.97 181.20 2pbx n LEU 181 N -3.70 0.71 0.00 3.04 4.32 -0.49 -4.96 117.00 115.92 2pbx n LEU 181 Ca -0.01 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 2pbx n LEU 181 Cb 0.40 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 2pbx n LEU 181 CO 0.35 -0.43 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 2pbx n GLY 182 N 1.52 2.68 3.58 -0.72 0.00 -1.13 -4.94 105.19 106.18 2pbx n GLY 182 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2pbx n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pbx s GLU 183 N -0.03 3.00 0.39 1.61 2.56 -1.26 -4.86 118.70 120.10 2pbx s GLU 183 Ca 0.00 1.02 0.16 0.00 0.00 0.00 0.00 54.97 56.15 2pbx s GLU 183 Cb 0.00 -4.28 1.03 0.00 2.00 0.00 0.00 34.13 32.88 2pbx s GLU 183 CO 0.00 -2.27 1.79 0.37 -0.56 0.00 0.00 175.26 174.60 2pbx h GLN 184 N 13.84 0.45 0.02 4.30 4.15 -1.94 -0.52 115.11 135.41 2pbx h GLN 184 Ca -0.29 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.10 2pbx h GLN 184 Cb 1.16 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.75 2pbx h GLN 184 CO 1.12 0.30 -0.01 0.93 -1.93 0.00 0.00 178.83 179.24 2pbx h GLU 185 N 0.47 -0.02 -0.87 1.69 3.07 -2.00 -2.03 114.58 114.89 2pbx h GLU 185 Ca 0.56 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.49 2pbx h GLU 185 Cb 1.31 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.16 2pbx h GLU 185 CO -0.28 0.44 0.54 0.00 -1.40 0.00 0.00 179.01 178.31 2pbx h ALA 186 N 0.47 1.20 -0.36 3.43 0.00 -1.62 -1.36 119.26 121.03 2pbx h ALA 186 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2pbx h ALA 186 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2pbx h ALA 186 CO 0.00 0.27 -0.39 0.28 0.00 0.00 0.00 179.25 179.42 2pbx h VAL 187 N 0.97 1.28 -0.59 0.00 2.07 -1.18 -0.94 116.25 117.86 2pbx h VAL 187 Ca 0.38 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2pbx h VAL 187 Cb 0.19 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2pbx h VAL 187 CO -0.18 0.52 0.37 1.88 0.02 0.00 0.00 177.57 180.17 2pbx h TYR 188 N 0.71 0.69 -0.11 1.57 0.05 -0.87 -0.38 116.97 118.62 2pbx h TYR 188 Ca 0.06 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 2pbx h TYR 188 Cb 0.97 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2pbx h TYR 188 CO 0.06 0.41 -0.21 -0.22 -1.05 0.00 0.00 178.16 177.14 2pbx h LYS 189 N 0.73 0.19 -0.05 4.88 3.64 -1.09 -2.44 116.57 122.43 2pbx h LYS 189 Ca 0.23 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 2pbx h LYS 189 Cb -0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2pbx h LYS 189 CO -0.08 0.41 -0.64 1.25 -2.27 0.00 0.00 179.45 178.11 2pbx h LEU 190 N 0.18 0.24 -0.32 5.20 6.46 0.04 -2.33 115.31 124.78 2pbx h LEU 190 Ca 0.03 -0.14 -0.13 0.00 -0.12 0.00 0.00 57.88 57.51 2pbx h LEU 190 Cb 0.48 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2pbx h LEU 190 CO 0.03 0.81 -0.32 0.00 -0.62 0.00 0.00 178.44 178.34 2pbx h ALA 191 N 1.19 0.47 -0.28 1.25 0.00 -0.66 0.20 119.26 121.42 2pbx h ALA 191 Ca -0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2pbx h ALA 191 Cb 1.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2pbx h ALA 191 CO 0.10 0.52 -0.30 -0.44 0.00 0.00 0.00 179.25 179.12 2pbx h ASP 192 N 0.55 0.58 -0.01 0.00 3.32 -1.48 0.12 116.42 119.50 2pbx h ASP 192 Ca 0.05 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2pbx h ASP 192 Cb 0.91 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 2pbx h ASP 192 CO 0.08 0.85 0.00 -1.28 -1.72 0.00 0.00 179.24 177.18 2pbx h SER 193 N 0.49 0.01 0.27 6.45 0.87 -1.29 -0.97 113.55 119.37 2pbx h SER 193 Ca 0.06 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2pbx h SER 193 Cb 0.76 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2pbx h SER 193 CO 0.06 0.19 -0.20 1.88 -0.53 0.00 0.00 176.83 178.23 2pbx h TYR 194 N -0.16 -0.52 0.00 2.24 -1.99 -0.75 -2.56 116.97 113.22 2pbx h TYR 194 Ca 0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2pbx h TYR 194 Cb 0.18 0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 2pbx h TYR 194 CO -0.02 -0.30 -0.01 -0.07 -0.00 0.00 0.00 178.16 177.76 2pbx h LEU 195 N -0.47 0.00 0.00 3.88 3.38 -0.71 -0.87 115.31 120.53 2pbx h LEU 195 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pbx h LEU 195 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2pbx h LEU 195 CO -0.00 0.01 -0.35 0.78 0.09 0.00 0.00 178.44 178.97 2pbx h ASN 196 N 0.00 0.00 -0.35 -0.43 2.35 -0.78 -3.07 115.58 113.30 2pbx h ASN 196 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2pbx h ASN 196 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2pbx h ASN 196 CO 0.00 0.01 0.00 0.23 -1.65 0.00 0.00 177.43 176.03 2pbx n MET 197 N -2.72 1.84 -3.57 0.81 2.81 -0.34 -4.56 117.12 111.40 2pbx n MET 197 Ca 0.03 -1.31 -0.40 0.00 -1.81 0.00 0.00 57.70 54.21 2pbx n MET 197 Cb 0.51 -1.30 -0.06 0.00 -0.71 0.00 0.00 33.22 31.65 2pbx n MET 197 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2pbx s LEU 198 N -1.07 5.80 -1.01 4.03 2.96 -1.16 -5.01 118.68 123.22 2pbx s LEU 198 Ca 0.26 -2.99 -0.12 0.00 -0.22 0.00 0.00 54.13 51.05 2pbx s LEU 198 Cb 0.13 -1.99 0.23 0.00 0.50 0.00 0.00 46.19 45.07 2pbx s LEU 198 CO 0.18 -0.39 1.03 0.00 -1.32 0.00 0.00 176.35 175.85 2pbx n ILE 200 N 3.64 0.00 1.99 0.00 -5.35 -1.26 -5.05 119.36 113.33 2pbx n ILE 200 Ca 0.22 -0.27 0.16 0.00 -0.27 0.00 0.00 62.75 62.59 2pbx n ILE 200 Cb 0.43 0.83 0.94 0.00 -1.74 0.00 0.00 39.64 40.10 2pbx n ILE 200 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57