#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppf s THR 5 N 0.00 3.10 0.26 0.00 -4.23 -1.26 -4.90 115.64 108.60 2ppf s THR 5 Ca 0.00 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 2ppf s THR 5 Cb 0.00 -3.25 0.26 0.00 1.34 0.00 0.00 72.50 70.84 2ppf s THR 5 CO 0.00 -0.25 1.89 0.00 -0.54 0.00 0.00 174.62 175.72 2ppf h ALA 6 N -0.26 1.32 -0.37 3.99 0.00 -2.05 -0.94 119.26 120.95 2ppf h ALA 6 Ca -0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2ppf h ALA 6 Cb 1.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2ppf h ALA 6 CO 0.59 0.49 0.17 0.00 0.00 0.00 0.00 179.25 180.51 2ppf h ALA 7 N 1.41 0.48 -0.81 0.00 0.00 -1.99 -0.94 119.26 117.41 2ppf h ALA 7 Ca 0.40 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2ppf h ALA 7 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2ppf h ALA 7 CO -0.14 0.06 0.54 0.93 0.00 0.00 0.00 179.25 180.63 2ppf h GLU 8 N 0.46 1.06 -0.58 0.00 5.08 -1.73 -2.43 114.58 116.44 2ppf h GLU 8 Ca 0.13 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2ppf h GLU 8 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2ppf h GLU 8 CO -0.01 0.70 -0.06 0.82 -1.00 0.00 0.00 179.01 179.46 2ppf h ILE 9 N 1.09 1.27 0.00 3.13 2.04 -1.02 -2.69 117.51 121.33 2ppf h ILE 9 Ca 0.30 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2ppf h ILE 9 Cb -0.11 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2ppf h ILE 9 CO -0.07 0.44 -0.07 0.00 0.00 0.00 0.00 178.15 178.45 2ppf h ALA 10 N 0.96 1.25 0.00 1.87 0.00 -0.79 -2.28 119.26 120.26 2ppf h ALA 10 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ppf h ALA 10 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ppf h ALA 10 CO 0.04 0.09 -0.40 0.00 0.00 0.00 0.00 179.25 178.97 2ppf n ALA 11 N -2.24 3.10 -1.78 0.00 0.00 -0.95 -4.93 120.51 113.71 2ppf n ALA 11 Ca -0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 2ppf n ALA 11 Cb 0.19 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 2ppf n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ppf s LEU 12 N -3.36 3.80 0.57 0.00 1.43 -0.86 -4.99 118.68 115.28 2ppf s LEU 12 Ca 0.10 2.16 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 2ppf s LEU 12 Cb 0.17 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 2ppf s LEU 12 CO 0.67 -1.12 1.32 -2.84 0.23 0.00 0.00 176.35 174.61 2ppf s PRO 13 N -3.19 3.01 -0.07 1.29 0.02 -1.26 -4.73 135.00 130.07 2ppf s PRO 13 Ca 0.71 2.14 -0.00 0.00 0.02 0.00 0.00 61.00 63.86 2ppf s PRO 13 Cb -0.24 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 2ppf s PRO 13 CO 0.27 -1.26 -0.04 1.03 -0.33 0.00 0.00 177.00 176.67 2ppf s ARG 14 N -3.05 2.84 -0.08 5.54 3.00 -1.26 -1.21 118.95 124.73 2ppf s ARG 14 Ca 0.74 -0.49 0.00 0.00 0.00 0.00 0.00 55.73 55.99 2ppf s ARG 14 Cb -0.38 -2.67 0.02 0.00 0.00 0.00 0.00 34.95 31.92 2ppf s ARG 14 CO 0.44 0.68 -0.06 -1.14 0.00 0.00 0.00 175.30 175.21 2ppf s GLN 15 N -0.84 1.25 -0.04 3.54 0.74 -0.63 -4.96 119.66 118.72 2ppf s GLN 15 Ca 0.13 -0.19 -0.20 0.00 0.05 0.00 0.00 55.36 55.15 2ppf s GLN 15 Cb -0.11 -1.28 -0.05 0.00 1.10 0.00 0.00 33.01 32.67 2ppf s GLN 15 CO 0.02 -0.17 0.56 0.15 -0.55 0.00 0.00 175.29 175.30 2ppf s LYS 16 N 1.37 4.30 -0.07 1.67 1.02 -1.26 -0.62 119.74 126.16 2ppf s LYS 16 Ca -0.02 0.66 0.02 0.00 0.02 0.00 0.00 55.97 56.64 2ppf s LYS 16 Cb -0.14 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2ppf s LYS 16 CO -0.03 0.31 -0.13 0.08 -0.92 0.00 0.00 175.35 174.66 2ppf s VAL 17 N 0.03 3.20 -0.28 3.17 1.01 -0.32 -4.93 120.40 122.27 2ppf s VAL 17 Ca 0.30 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2ppf s VAL 17 Cb -0.17 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2ppf s VAL 17 CO 0.15 0.58 0.18 -1.61 0.00 0.00 0.00 175.10 174.41 2ppf s GLU 18 N -0.56 3.89 0.55 2.72 8.01 -1.26 -4.67 118.70 127.37 2ppf s GLU 18 Ca 0.08 -0.36 -0.16 0.00 0.01 0.00 0.00 54.97 54.54 2ppf s GLU 18 Cb -0.12 -3.65 -0.06 0.00 -4.31 0.00 0.00 34.13 26.00 2ppf s GLU 18 CO 0.01 -0.20 1.02 -0.51 0.01 0.00 0.00 175.26 175.60 2ppf s LEU 19 N 1.75 3.58 0.20 1.80 1.43 -1.26 -4.69 118.68 121.49 2ppf s LEU 19 Ca 0.07 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.95 2ppf s LEU 19 Cb -0.16 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 2ppf s LEU 19 CO 0.10 -0.89 -0.11 0.68 0.23 0.00 0.00 176.35 176.37 2ppf s VAL 20 N -2.48 1.48 0.20 -1.59 -7.23 -1.26 -4.99 120.40 104.52 2ppf s VAL 20 Ca 0.62 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 2ppf s VAL 20 Cb -0.13 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.68 2ppf s VAL 20 CO 0.33 -0.59 1.13 -1.81 -0.31 0.00 0.00 175.10 173.85 2ppf s ASP 21 N -3.28 7.20 0.76 4.85 -0.00 -1.26 -4.60 116.67 120.34 2ppf s ASP 21 Ca 0.22 2.18 -0.15 0.00 -0.00 0.00 0.00 52.55 54.80 2ppf s ASP 21 Cb 0.01 -2.61 0.02 0.00 -0.00 0.00 0.00 42.92 40.34 2ppf s ASP 21 CO 0.05 -0.26 0.91 -2.65 -0.00 0.00 0.00 175.17 173.22 2ppf n PRO 22 N 2.15 0.35 -0.06 8.23 -0.02 -1.26 -2.17 135.00 142.22 2ppf n PRO 22 Ca 0.02 0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 2ppf n PRO 22 Cb 0.45 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 32.02 2ppf n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ppf n PRO 23 N -1.96 1.37 -1.51 0.52 -0.04 -1.26 -5.05 135.00 127.07 2ppf n PRO 23 Ca 0.12 -0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 62.71 2ppf n PRO 23 Cb 0.50 -1.23 0.08 0.00 -0.04 0.00 0.00 33.50 32.81 2ppf n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ppf s PHE 24 N -1.84 2.89 -0.03 0.54 0.40 -0.92 -0.99 117.98 118.03 2ppf s PHE 24 Ca 0.20 1.30 0.03 0.00 -0.60 0.00 0.00 56.93 57.86 2ppf s PHE 24 Cb 0.10 -3.02 -0.00 0.00 0.51 0.00 0.00 43.02 40.61 2ppf s PHE 24 CO 0.15 -1.60 -0.12 0.08 0.70 0.00 0.00 175.22 174.43 2ppf s VAL 25 N -3.07 1.02 0.88 -0.44 1.01 -1.26 -4.64 120.40 113.90 2ppf s VAL 25 Ca 0.60 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 2ppf s VAL 25 Cb -0.15 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.44 2ppf s VAL 25 CO 0.55 0.30 0.93 0.00 0.00 0.00 0.00 175.10 176.88 2ppf n HIS 26 N 3.19 0.26 -1.71 5.22 1.44 -1.26 -4.89 115.22 117.47 2ppf n HIS 26 Ca -0.18 0.36 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 2ppf n HIS 26 Cb 0.54 -1.97 -0.03 0.00 0.12 0.00 0.00 29.99 28.66 2ppf n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ppf n ALA 27 N -3.71 2.03 -3.61 1.59 0.00 -1.26 -4.99 120.51 110.57 2ppf n ALA 27 Ca 0.11 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 2ppf n ALA 27 Cb 0.52 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 2ppf n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2ppf s HIS 28 N 0.39 -0.19 -0.07 0.00 -3.43 -1.26 -5.02 115.29 105.72 2ppf s HIS 28 Ca 0.70 -0.19 0.02 0.00 -0.80 0.00 0.00 55.06 54.79 2ppf s HIS 28 Cb -0.57 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.12 2ppf s HIS 28 CO 0.43 -1.08 -0.10 0.45 -2.00 0.00 0.00 174.74 172.45 2ppf s SER 29 N -2.89 4.39 0.01 7.38 0.15 -1.26 -5.04 113.70 116.44 2ppf s SER 29 Ca 0.10 -0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 2ppf s SER 29 Cb -0.04 -1.08 -0.18 0.00 -1.71 0.00 0.00 66.02 63.01 2ppf s SER 29 CO 0.01 0.34 1.33 1.56 1.20 0.00 0.00 173.24 177.69 2ppf h GLN 30 N 5.38 0.12 -6.24 5.44 4.20 -1.97 -3.41 115.11 118.64 2ppf h GLN 30 Ca -0.46 -0.06 -0.55 0.00 0.06 0.00 0.00 58.65 57.63 2ppf h GLN 30 Cb 1.17 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 2ppf h GLN 30 CO 0.52 0.54 0.09 0.08 -0.67 0.00 0.00 178.83 179.38 2ppf s VAL 31 N -4.43 4.76 0.45 -0.54 1.01 -1.26 -3.34 120.40 117.06 2ppf s VAL 31 Ca -0.15 1.48 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 2ppf s VAL 31 Cb 0.03 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2ppf s VAL 31 CO 0.70 0.41 1.27 0.00 0.00 0.00 0.00 175.10 177.47 2ppf n ALA 32 N 2.61 1.28 -3.32 5.51 0.00 0.34 -4.95 120.51 121.99 2ppf n ALA 32 Ca -0.05 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2ppf n ALA 32 Cb 0.50 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 2ppf n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ppf s GLU 33 N -2.33 2.69 0.65 0.00 2.02 -1.26 -4.99 118.70 115.48 2ppf s GLU 33 Ca 0.63 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2ppf s GLU 33 Cb -0.49 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 29.75 2ppf s GLU 33 CO 0.56 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 175.13 2ppf n GLY 34 N 5.02 -2.18 1.68 -1.39 0.00 -1.26 -4.97 105.19 102.10 2ppf n GLY 34 Ca -0.10 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2ppf n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 35 N -0.22 -1.65 3.64 -0.02 0.00 -1.26 -4.97 105.19 100.71 2ppf n GLY 35 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 2ppf n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppf n PRO 36 N -2.46 1.70 -4.31 1.61 -0.02 -1.26 -5.00 135.00 125.25 2ppf n PRO 36 Ca 0.07 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 2ppf n PRO 36 Cb 0.26 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 2ppf n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2ppf s LYS 37 N -1.73 1.26 -0.40 -0.52 -2.85 -1.26 -4.34 119.74 109.90 2ppf s LYS 37 Ca 0.57 -1.60 -0.18 0.00 -1.00 0.00 0.00 55.97 53.76 2ppf s LYS 37 Cb -0.63 -0.69 0.01 0.00 -2.06 0.00 0.00 37.83 34.46 2ppf s LYS 37 CO 0.61 -0.01 0.49 0.08 0.10 0.00 0.00 175.35 176.62 2ppf s VAL 38 N -3.33 5.02 -0.26 1.79 1.01 -0.35 -1.00 120.40 123.29 2ppf s VAL 38 Ca 0.24 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 2ppf s VAL 38 Cb 0.04 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2ppf s VAL 38 CO 0.06 -0.37 0.30 -0.69 0.00 0.00 0.00 175.10 174.40 2ppf s VAL 39 N 2.33 5.24 -0.20 2.92 1.01 0.73 -1.60 120.40 130.83 2ppf s VAL 39 Ca 0.16 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 2ppf s VAL 39 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2ppf s VAL 39 CO 0.14 0.22 0.06 -1.61 0.00 0.00 0.00 175.10 173.92 2ppf s GLU 40 N 1.70 3.89 0.09 2.72 2.02 0.21 -0.39 118.70 128.94 2ppf s GLU 40 Ca 0.13 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.80 2ppf s GLU 40 Cb -0.15 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2ppf s GLU 40 CO 0.09 0.15 -0.17 -0.06 0.02 0.00 0.00 175.26 175.29 2ppf s PHE 41 N 0.70 1.45 -0.05 1.61 0.40 -0.41 -1.17 117.98 120.51 2ppf s PHE 41 Ca 0.03 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2ppf s PHE 41 Cb -0.13 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.61 2ppf s PHE 41 CO 0.02 0.12 -0.10 0.99 0.70 0.00 0.00 175.22 176.95 2ppf s THR 42 N -1.32 0.93 -0.02 0.64 2.01 -1.26 -0.58 115.64 116.04 2ppf s THR 42 Ca 0.02 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2ppf s THR 42 Cb -0.09 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2ppf s THR 42 CO 0.03 0.30 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.13 2ppf s MET 43 N 0.56 0.92 -0.17 4.92 -1.94 -0.22 -4.92 119.30 118.45 2ppf s MET 43 Ca -0.10 -0.32 -0.07 0.00 -1.71 0.00 0.00 55.69 53.49 2ppf s MET 43 Cb -0.13 -0.87 -0.04 0.00 2.01 0.00 0.00 34.83 35.80 2ppf s MET 43 CO 0.02 0.14 0.05 0.08 -0.01 0.00 0.00 175.02 175.31 2ppf s VAL 44 N 0.07 4.73 -0.02 -6.03 1.01 -1.26 -0.96 120.40 117.94 2ppf s VAL 44 Ca -0.01 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2ppf s VAL 44 Cb -0.07 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2ppf s VAL 44 CO 0.00 0.47 0.88 -0.63 0.00 0.00 0.00 175.10 175.83 2ppf s ILE 45 N 0.27 4.92 -0.19 2.22 1.01 0.10 -0.39 121.20 129.14 2ppf s ILE 45 Ca 0.03 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.54 2ppf s ILE 45 Cb -0.12 -4.22 0.03 0.00 0.01 0.00 0.00 42.46 38.15 2ppf s ILE 45 CO 0.00 0.19 -0.18 -1.61 0.00 0.00 0.00 174.94 173.35 2ppf s GLU 46 N 0.92 2.77 -0.24 2.79 0.41 0.00 -4.35 118.70 121.00 2ppf s GLU 46 Ca 0.47 -0.89 -0.26 0.00 -0.41 0.00 0.00 54.97 53.88 2ppf s GLU 46 Cb -0.20 -2.58 -0.00 0.00 -1.78 0.00 0.00 34.13 29.57 2ppf s GLU 46 CO 0.25 -0.28 0.88 -1.21 -0.49 0.00 0.00 175.26 174.41 2ppf s GLU 47 N 1.28 4.19 0.03 1.61 2.02 -1.26 -0.87 118.70 125.70 2ppf s GLU 47 Ca 0.02 1.03 -0.21 0.00 0.02 0.00 0.00 54.97 55.84 2ppf s GLU 47 Cb -0.14 -3.65 0.04 0.00 0.10 0.00 0.00 34.13 30.48 2ppf s GLU 47 CO -0.11 -0.56 0.47 -1.59 0.02 0.00 0.00 175.26 173.49 2ppf s LYS 48 N 2.94 0.96 0.14 1.61 -2.85 -0.69 -4.99 119.74 116.86 2ppf s LYS 48 Ca 0.37 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.80 2ppf s LYS 48 Cb -0.15 0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 35.99 2ppf s LYS 48 CO 0.07 -0.33 0.97 0.15 0.10 0.00 0.00 175.35 176.32 2ppf s LYS 49 N -2.26 4.72 0.09 1.78 1.02 -1.26 -0.34 119.74 123.49 2ppf s LYS 49 Ca -0.06 1.49 0.09 0.00 0.02 0.00 0.00 55.97 57.50 2ppf s LYS 49 Cb -0.01 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 2ppf s LYS 49 CO -0.00 0.25 -0.23 0.96 -0.92 0.00 0.00 175.35 175.40 2ppf s ILE 50 N -0.24 1.92 -0.21 2.17 -4.36 -0.41 -4.90 121.20 115.17 2ppf s ILE 50 Ca 0.46 -1.52 -0.09 0.00 -0.26 0.00 0.00 60.65 59.25 2ppf s ILE 50 Cb -0.24 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 2ppf s ILE 50 CO 0.31 0.09 0.10 -0.69 0.24 0.00 0.00 174.94 174.99 2ppf s VAL 51 N -1.01 4.92 -0.82 8.37 1.01 -1.26 -0.89 120.40 130.72 2ppf s VAL 51 Ca 0.10 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.20 2ppf s VAL 51 Cb -0.10 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2ppf s VAL 51 CO 0.04 0.40 0.59 2.30 0.00 0.00 0.00 175.10 178.42 2ppf n ILE 52 N 4.03 0.00 -4.01 2.22 -5.35 -0.10 -4.78 119.36 111.37 2ppf n ILE 52 Ca -0.16 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 61.85 2ppf n ILE 52 Cb 0.52 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.47 2ppf n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2ppf s ASP 53 N -1.51 0.32 0.00 7.28 3.84 -1.26 -0.49 116.67 124.85 2ppf s ASP 53 Ca 0.07 -1.19 0.29 0.00 -0.00 0.00 0.00 52.55 51.73 2ppf s ASP 53 Cb 0.08 0.66 1.69 0.00 -1.38 0.00 0.00 42.92 43.97 2ppf s ASP 53 CO 0.29 -1.28 2.07 -0.90 -0.00 0.00 0.00 175.17 175.35 2ppf n ASP 54 N -0.94 0.00 -0.77 2.11 5.68 -1.26 -2.10 116.55 119.27 2ppf n ASP 54 Ca -0.02 -0.74 0.10 0.00 -0.50 0.00 0.00 54.79 53.64 2ppf n ASP 54 Cb 0.61 -0.07 0.29 0.00 -1.14 0.00 0.00 41.12 40.82 2ppf n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ppf n ALA 55 N -1.07 2.47 -1.12 2.12 0.00 -1.26 -4.94 120.51 116.73 2ppf n ALA 55 Ca 0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 2ppf n ALA 55 Cb 0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2ppf n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ppf n GLY 56 N 1.24 0.69 3.73 0.00 0.00 -0.89 -4.99 105.19 104.97 2ppf n GLY 56 Ca 0.17 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2ppf n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ppf n THR 57 N -2.83 0.41 -4.20 2.61 -1.04 -1.26 -4.86 114.28 103.12 2ppf n THR 57 Ca -0.04 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.05 61.54 2ppf n THR 57 Cb 0.16 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.59 2ppf n THR 57 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ppf s GLU 58 N 0.50 2.89 -0.04 -2.82 2.02 -1.26 -0.92 118.70 119.07 2ppf s GLU 58 Ca 0.70 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 55.19 2ppf s GLU 58 Cb -0.49 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 2ppf s GLU 58 CO 0.39 0.63 -0.24 0.08 0.02 0.00 0.00 175.26 176.14 2ppf s VAL 59 N -1.14 1.93 -0.99 2.63 1.01 -0.07 -4.96 120.40 118.81 2ppf s VAL 59 Ca 0.21 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2ppf s VAL 59 Cb -0.12 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.67 2ppf s VAL 59 CO 0.12 0.54 1.52 -1.00 0.00 0.00 0.00 175.10 176.28 2ppf s HIS 60 N -0.28 2.42 0.45 5.22 3.76 -1.26 -1.29 115.29 124.30 2ppf s HIS 60 Ca 0.01 -0.60 -0.22 0.00 -0.15 0.00 0.00 55.06 54.10 2ppf s HIS 60 Cb -0.12 -4.60 -0.08 0.00 1.11 0.00 0.00 32.58 28.89 2ppf s HIS 60 CO 0.02 -1.92 1.06 0.00 -0.85 0.00 0.00 174.74 173.06 2ppf s ALA 61 N 5.76 2.97 -0.33 -1.40 0.00 0.53 -4.85 121.76 124.44 2ppf s ALA 61 Ca 0.49 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.19 2ppf s ALA 61 Cb -0.01 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.92 2ppf s ALA 61 CO -0.08 -0.33 0.04 -1.64 0.00 0.00 0.00 175.76 173.74 2ppf s MET 62 N -2.85 1.52 -0.26 0.00 -1.94 -0.47 -1.70 119.30 113.59 2ppf s MET 62 Ca 0.63 -1.77 0.01 0.00 -1.71 0.00 0.00 55.69 52.85 2ppf s MET 62 Cb -0.21 -3.11 0.05 0.00 2.01 0.00 0.00 34.83 33.57 2ppf s MET 62 CO 0.25 -0.90 -0.09 0.00 -0.01 0.00 0.00 175.02 174.27 2ppf s ALA 63 N 0.96 2.62 0.06 3.03 0.00 -0.05 -2.47 121.76 125.91 2ppf s ALA 63 Ca 0.09 -1.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 2ppf s ALA 63 Cb -0.19 -1.63 -0.10 0.00 0.00 0.00 0.00 23.12 21.20 2ppf s ALA 63 CO -0.09 -1.02 1.92 1.19 0.00 0.00 0.00 175.76 177.76 2ppf n PHE 64 N 4.54 2.54 -1.19 0.00 3.72 -1.25 -0.82 117.46 125.00 2ppf n PHE 64 Ca -0.15 -0.28 -0.07 0.00 -0.05 0.00 0.00 57.45 56.90 2ppf n PHE 64 Cb 0.44 -2.77 -0.03 0.00 -0.94 0.00 0.00 39.48 36.18 2ppf n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2ppf n ASN 65 N 6.85 -4.91 0.00 4.37 5.15 0.47 -2.61 115.26 124.59 2ppf n ASN 65 Ca 0.20 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 2ppf n ASN 65 Cb 0.39 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.64 2ppf n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ppf n GLY 66 N -0.69 0.67 3.34 8.20 0.00 -0.93 -4.98 105.19 110.80 2ppf n GLY 66 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2ppf n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppf s THR 67 N -2.52 1.78 -0.22 2.61 -4.23 -1.07 -4.97 115.64 107.01 2ppf s THR 67 Ca 0.00 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2ppf s THR 67 Cb 0.00 -1.91 0.05 0.00 1.34 0.00 0.00 72.50 71.99 2ppf s THR 67 CO 0.00 -0.43 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.89 2ppf s VAL 68 N -2.41 1.61 0.89 2.29 1.01 -1.26 -3.14 120.40 119.40 2ppf s VAL 68 Ca 0.18 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2ppf s VAL 68 Cb -0.04 -1.80 0.13 0.00 0.00 0.00 0.00 36.38 34.67 2ppf s VAL 68 CO 0.07 0.00 1.13 -2.16 0.00 0.00 0.00 175.10 174.14 2ppf s PRO 69 N 1.37 1.28 0.97 2.72 0.04 -1.26 -2.26 135.00 137.86 2ppf s PRO 69 Ca -0.04 0.34 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 2ppf s PRO 69 Cb -0.18 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 32.68 2ppf s PRO 69 CO -0.07 -2.11 1.11 0.20 0.04 0.00 0.00 177.00 176.17 2ppf s GLY 70 N -4.01 1.64 0.67 0.56 0.00 0.21 -4.75 107.32 101.65 2ppf s GLY 70 Ca 0.63 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 45.53 2ppf s GLY 70 CO 0.53 0.83 1.13 2.56 0.00 0.00 0.00 173.10 178.15 2ppf s PRO 71 N -4.64 2.69 -0.06 2.90 0.04 -1.26 -4.44 135.00 130.22 2ppf s PRO 71 Ca 0.66 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 2ppf s PRO 71 Cb -0.23 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2ppf s PRO 71 CO 0.59 -1.35 0.96 -1.17 0.04 0.00 0.00 177.00 176.08 2ppf s LEU 72 N -4.90 4.30 -0.17 -3.56 2.96 -1.26 -4.34 118.68 111.70 2ppf s LEU 72 Ca 0.68 1.54 -0.08 0.00 -0.22 0.00 0.00 54.13 56.05 2ppf s LEU 72 Cb -0.22 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2ppf s LEU 72 CO 0.42 -0.35 0.09 -0.04 -1.32 0.00 0.00 176.35 175.15 2ppf s MET 73 N 1.54 3.92 -0.14 1.98 -1.94 -1.14 -4.53 119.30 118.99 2ppf s MET 73 Ca 0.48 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 54.22 2ppf s MET 73 Cb -0.19 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.40 2ppf s MET 73 CO 0.22 0.38 -0.22 0.08 -0.01 0.00 0.00 175.02 175.47 2ppf s VAL 74 N 0.09 2.05 0.39 -6.03 1.01 -1.26 -0.34 120.40 116.30 2ppf s VAL 74 Ca 0.07 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2ppf s VAL 74 Cb -0.12 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2ppf s VAL 74 CO -0.00 0.55 0.20 0.68 0.00 0.00 0.00 175.10 176.52 2ppf s VAL 75 N 0.83 0.31 0.25 2.92 -7.23 -0.38 -5.00 120.40 112.11 2ppf s VAL 75 Ca -0.07 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.20 2ppf s VAL 75 Cb -0.15 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2ppf s VAL 75 CO -0.02 0.00 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.76 2ppf s HIS 76 N -3.28 2.71 0.17 2.82 3.76 -1.26 -0.95 115.29 119.26 2ppf s HIS 76 Ca 0.30 -0.21 -0.34 0.00 -0.15 0.00 0.00 55.06 54.66 2ppf s HIS 76 Cb 0.02 -1.23 -0.15 0.00 1.11 0.00 0.00 32.58 32.34 2ppf s HIS 76 CO 0.20 0.60 1.42 0.94 -0.85 0.00 0.00 174.74 177.05 2ppf n GLN 77 N -0.73 1.77 -0.92 1.40 7.27 0.34 -1.50 117.38 125.01 2ppf n GLN 77 Ca -0.07 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.63 2ppf n GLN 77 Cb 0.58 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.92 2ppf n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2ppf n ASP 78 N 2.68 -2.08 -4.72 1.69 10.43 0.78 -4.76 116.55 120.57 2ppf n ASP 78 Ca 0.15 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.22 2ppf n ASP 78 Cb 0.27 -1.17 0.14 0.00 1.84 0.00 0.00 41.12 42.19 2ppf n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2ppf s ASP 79 N -2.32 3.50 -0.13 -2.24 -0.00 -0.56 -4.68 116.67 110.24 2ppf s ASP 79 Ca 0.00 1.54 -0.04 0.00 -0.00 0.00 0.00 52.55 54.05 2ppf s ASP 79 Cb 0.00 -2.22 -0.03 0.00 -0.00 0.00 0.00 42.92 40.67 2ppf s ASP 79 CO 0.00 -2.63 0.02 -0.31 -0.00 0.00 0.00 175.17 172.25 2ppf s TYR 80 N -2.91 3.19 -0.29 4.23 1.51 -0.17 -1.14 117.35 121.77 2ppf s TYR 80 Ca 0.63 0.08 -0.14 0.00 -1.01 0.00 0.00 57.07 56.64 2ppf s TYR 80 Cb -0.18 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 2ppf s TYR 80 CO 0.57 0.30 0.30 -1.17 -1.11 0.00 0.00 175.55 174.44 2ppf s LEU 81 N -0.28 4.13 -0.34 -1.29 0.20 0.34 -0.19 118.68 121.25 2ppf s LEU 81 Ca 0.07 0.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 2ppf s LEU 81 Cb -0.12 -2.29 0.08 0.00 -0.43 0.00 0.00 46.19 43.42 2ppf s LEU 81 CO 0.02 -0.17 0.07 -0.70 -0.29 0.00 0.00 176.35 175.28 2ppf s GLU 82 N 1.94 2.16 -0.20 1.98 2.12 0.47 -1.49 118.70 125.68 2ppf s GLU 82 Ca 0.11 -1.53 -0.07 0.00 0.36 0.00 0.00 54.97 53.85 2ppf s GLU 82 Cb -0.16 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2ppf s GLU 82 CO 0.11 -0.80 0.05 -1.17 -0.54 0.00 0.00 175.26 172.90 2ppf s LEU 83 N 1.16 3.58 -0.33 2.70 2.96 0.45 -1.29 118.68 127.92 2ppf s LEU 83 Ca 0.01 -0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 2ppf s LEU 83 Cb -0.21 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2ppf s LEU 83 CO -0.03 0.10 0.51 -0.89 -1.32 0.00 0.00 176.35 174.72 2ppf s THR 84 N 0.83 5.03 -0.14 3.68 2.01 0.25 -1.12 115.64 126.18 2ppf s THR 84 Ca 0.03 0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 2ppf s THR 84 Cb -0.14 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2ppf s THR 84 CO 0.02 -0.14 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.48 2ppf s LEU 85 N 2.38 2.75 -0.11 4.42 2.96 -0.15 -1.06 118.68 129.86 2ppf s LEU 85 Ca 0.19 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2ppf s LEU 85 Cb -0.15 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.91 2ppf s LEU 85 CO 0.12 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.46 2ppf s ILE 86 N 0.47 1.93 -0.52 6.68 1.01 -0.13 -1.28 121.20 129.35 2ppf s ILE 86 Ca -0.09 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2ppf s ILE 86 Cb -0.16 -1.69 0.13 0.00 0.01 0.00 0.00 42.46 40.76 2ppf s ILE 86 CO 0.04 0.53 0.35 0.21 0.00 0.00 0.00 174.94 176.07 2ppf s ASN 87 N 0.62 5.48 0.75 3.58 2.47 -0.52 -0.72 114.94 126.61 2ppf s ASN 87 Ca -0.13 -2.28 -0.15 0.00 0.42 0.00 0.00 52.86 50.72 2ppf s ASN 87 Cb -0.17 -1.91 0.04 0.00 -1.45 0.00 0.00 41.25 37.76 2ppf s ASN 87 CO 0.03 -0.54 1.11 -2.65 -3.72 0.00 0.00 177.10 171.33 2ppf n PRO 88 N 4.32 0.44 0.33 0.43 -0.02 -1.26 0.53 135.00 139.77 2ppf n PRO 88 Ca 0.00 0.21 0.21 0.00 -2.02 0.00 0.00 63.50 61.91 2ppf n PRO 88 Cb 0.40 -2.35 1.15 0.00 -0.02 0.00 0.00 33.50 32.68 2ppf n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2ppf h GLU 89 N -0.45 0.00 0.00 -0.52 4.11 -1.91 -1.99 114.58 113.81 2ppf h GLU 89 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2ppf h GLU 89 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2ppf h GLU 89 CO 0.47 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.34 2ppf h THR 90 N 0.00 0.00 -4.42 -1.06 1.35 -1.96 -3.45 112.91 103.37 2ppf h THR 90 Ca -0.00 -0.50 -0.48 0.00 -0.55 0.00 0.00 66.41 64.88 2ppf h THR 90 Cb 0.00 1.46 0.10 0.00 -1.73 0.00 0.00 68.15 67.98 2ppf h THR 90 CO 0.00 0.00 0.37 0.20 -0.25 0.00 0.00 175.52 175.84 2ppf s ASN 91 N -5.51 4.63 -0.01 5.36 0.01 -0.75 -5.00 114.94 113.68 2ppf s ASN 91 Ca 0.02 1.06 0.06 0.00 -0.71 0.00 0.00 52.86 53.29 2ppf s ASN 91 Cb 0.09 -1.73 -0.09 0.00 0.41 0.00 0.00 41.25 39.93 2ppf s ASN 91 CO 0.53 -1.85 0.15 0.35 -1.51 0.00 0.00 177.10 174.76 2ppf n THR 92 N -3.33 0.00 -4.40 1.60 -2.24 -1.26 -4.78 114.28 99.87 2ppf n THR 92 Ca 0.07 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 2ppf n THR 92 Cb 0.58 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 2ppf n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ppf s LEU 93 N -3.20 2.64 0.36 3.22 1.43 -1.26 -4.92 118.68 116.95 2ppf s LEU 93 Ca -0.01 -0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 51.98 2ppf s LEU 93 Cb 0.04 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 2ppf s LEU 93 CO 0.24 0.08 1.12 -0.32 0.23 0.00 0.00 176.35 177.71 2ppf s MET 94 N -3.02 4.28 0.16 1.70 -2.45 -1.26 -4.19 119.30 114.52 2ppf s MET 94 Ca 0.25 1.76 0.00 0.00 -1.25 0.00 0.00 55.69 56.45 2ppf s MET 94 Cb -0.07 -2.83 -0.04 0.00 1.25 0.00 0.00 34.83 33.14 2ppf s MET 94 CO 0.13 -0.10 0.04 -1.01 1.05 0.00 0.00 175.02 175.14 2ppf s HIS 95 N -1.38 1.04 0.02 4.11 0.09 -0.78 -4.92 115.29 113.46 2ppf s HIS 95 Ca 0.53 -1.16 -0.00 0.00 -0.00 0.00 0.00 55.06 54.42 2ppf s HIS 95 Cb -0.29 -0.59 0.00 0.00 -0.00 0.00 0.00 32.58 31.70 2ppf s HIS 95 CO 0.37 -0.41 0.03 0.27 -0.00 0.00 0.00 174.74 175.01 2ppf n ASN 96 N -0.18 -0.08 -3.84 1.40 0.23 -1.26 -0.80 115.26 110.73 2ppf n ASN 96 Ca -0.05 -1.08 -0.13 0.00 -0.53 0.00 0.00 54.58 52.79 2ppf n ASN 96 Cb 0.64 0.15 -0.14 0.00 -2.08 0.00 0.00 39.78 38.35 2ppf n ASN 96 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 2ppf s ILE 97 N -2.69 -0.01 -0.13 1.53 2.07 -1.26 -4.13 121.20 116.58 2ppf s ILE 97 Ca 0.01 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2ppf s ILE 97 Cb -0.00 -0.10 0.02 0.00 0.13 0.00 0.00 42.46 42.51 2ppf s ILE 97 CO 0.01 0.01 -0.12 0.20 -1.91 0.00 0.00 174.94 173.13 2ppf s ASN 98 N 0.21 2.46 -0.30 4.50 0.01 0.13 -1.33 114.94 120.62 2ppf s ASN 98 Ca -0.01 -0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 51.60 2ppf s ASN 98 Cb -0.02 -1.04 -0.03 0.00 0.41 0.00 0.00 41.25 40.56 2ppf s ASN 98 CO -0.01 -0.08 0.25 -0.36 -1.51 0.00 0.00 177.10 175.40 2ppf s PHE 99 N 1.53 3.22 0.42 2.20 0.40 0.41 -1.12 117.98 125.05 2ppf s PHE 99 Ca 0.04 0.04 0.39 0.00 -0.60 0.00 0.00 56.93 56.80 2ppf s PHE 99 Cb -0.13 -2.47 2.06 0.00 0.51 0.00 0.00 43.02 42.99 2ppf s PHE 99 CO -0.09 -0.26 2.19 0.45 0.70 0.00 0.00 175.22 178.20 2ppf h HIS 100 N 8.39 0.00 0.00 0.36 3.86 -1.50 -1.86 115.15 124.40 2ppf h HIS 100 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2ppf h HIS 100 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ppf h HIS 100 CO 0.72 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.51 2ppf h ALA 101 N 2.01 1.00 -2.09 2.45 0.00 -1.90 -3.47 119.26 117.26 2ppf h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2ppf h ALA 101 Cb 0.06 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2ppf h ALA 101 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 2ppf s ALA 102 N -3.31 3.77 -0.16 0.00 0.00 -0.70 -4.58 121.76 116.79 2ppf s ALA 102 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2ppf s ALA 102 Cb 0.07 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 21.12 2ppf s ALA 102 CO 0.61 -0.28 -0.11 0.99 0.00 0.00 0.00 175.76 176.96 2ppf s THR 103 N -2.48 1.47 0.00 0.00 2.01 -1.26 -4.68 115.64 110.69 2ppf s THR 103 Ca 0.46 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2ppf s THR 103 Cb -0.10 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.95 2ppf s THR 103 CO 0.37 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 2ppf n GLY 104 N 4.78 2.87 4.06 4.40 0.00 -1.26 -4.93 105.19 115.11 2ppf n GLY 104 Ca -0.15 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 2ppf n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf n ALA 105 N 0.17 -1.75 -1.90 4.61 0.00 -1.26 -0.42 120.51 119.97 2ppf n ALA 105 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 2ppf n ALA 105 Cb 0.00 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 2ppf n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ppf n LEU 106 N -4.42 -1.66 0.00 0.00 4.77 -1.26 -0.88 117.00 113.55 2ppf n LEU 106 Ca -0.18 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2ppf n LEU 106 Cb 0.62 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.87 2ppf n LEU 106 CO 0.79 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2ppf n GLY 107 N -0.67 0.72 0.00 -0.72 0.00 0.44 -4.17 105.19 100.79 2ppf n GLY 107 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ppf n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 108 N -2.11 1.74 0.29 -0.02 0.00 -0.06 -0.44 105.19 104.60 2ppf n GLY 108 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2ppf n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ppf h GLY 109 N 0.00 0.47 2.00 -0.02 0.00 -0.77 -1.74 103.07 103.01 2ppf h GLY 109 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2ppf h GLY 109 CO 0.00 0.18 0.00 -1.33 0.00 0.00 0.00 176.54 175.39 2ppf h GLY 110 N 0.51 0.00 -0.80 4.60 0.00 -1.74 -3.06 103.07 102.57 2ppf h GLY 110 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2ppf h GLY 110 CO -0.02 0.00 -0.04 1.04 0.00 0.00 0.00 176.54 177.52 2ppf n LEU 111 N -2.45 1.78 -0.30 3.11 4.77 -0.68 -4.70 117.00 118.54 2ppf n LEU 111 Ca 0.02 -0.95 0.06 0.00 -0.03 0.00 0.00 56.01 55.11 2ppf n LEU 111 Cb 0.28 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2ppf n LEU 111 CO 0.23 0.34 0.43 0.35 -1.33 0.00 0.00 177.39 177.41 2ppf n THR 112 N 0.45 1.15 -2.20 -5.08 -2.24 -1.08 -4.95 114.28 100.33 2ppf n THR 112 Ca 0.06 -1.45 -0.43 0.00 -2.27 0.00 0.00 64.05 59.97 2ppf n THR 112 Cb 0.26 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 2ppf n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ppf s GLU 113 N -1.75 3.41 -0.12 -0.78 2.02 -1.25 -4.25 118.70 115.99 2ppf s GLU 113 Ca 0.21 1.06 0.03 0.00 0.02 0.00 0.00 54.97 56.29 2ppf s GLU 113 Cb 0.19 -4.12 0.01 0.00 0.10 0.00 0.00 34.13 30.30 2ppf s GLU 113 CO 0.01 -1.77 -0.22 0.96 0.02 0.00 0.00 175.26 174.26 2ppf s ILE 114 N 6.22 1.99 0.70 -1.63 -4.36 0.02 -4.98 121.20 119.17 2ppf s ILE 114 Ca 0.68 -0.96 -0.11 0.00 -0.26 0.00 0.00 60.65 60.00 2ppf s ILE 114 Cb -0.17 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.81 2ppf s ILE 114 CO 0.32 0.54 1.09 0.20 0.24 0.00 0.00 174.94 177.33 2ppf s ASN 115 N 0.62 5.47 0.17 4.36 0.02 -1.26 -1.87 114.94 122.45 2ppf s ASN 115 Ca -0.12 1.15 -0.34 0.00 -1.02 0.00 0.00 52.86 52.53 2ppf s ASN 115 Cb -0.17 -1.96 -0.14 0.00 0.02 0.00 0.00 41.25 39.00 2ppf s ASN 115 CO 0.03 -1.33 1.55 -2.65 0.02 0.00 0.00 177.10 174.72 2ppf n PRO 116 N -3.00 2.12 -0.13 -0.60 -0.02 -1.26 -1.48 135.00 130.62 2ppf n PRO 116 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2ppf n PRO 116 Cb 0.57 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2ppf n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppf n GLY 117 N 3.21 0.56 3.62 -1.23 0.00 0.19 -4.73 105.19 106.81 2ppf n GLY 117 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2ppf n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppf s GLU 118 N -0.85 2.20 0.15 1.61 2.02 -0.55 -4.91 118.70 118.36 2ppf s GLU 118 Ca 0.00 -1.44 -0.00 0.00 0.02 0.00 0.00 54.97 53.55 2ppf s GLU 118 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2ppf s GLU 118 CO 0.00 0.37 0.04 -1.59 0.02 0.00 0.00 175.26 174.10 2ppf s LYS 119 N -3.56 1.00 0.06 1.61 -2.85 -1.26 -1.43 119.74 113.31 2ppf s LYS 119 Ca 0.30 -1.48 -0.14 0.00 -1.00 0.00 0.00 55.97 53.66 2ppf s LYS 119 Cb -0.07 0.08 0.02 0.00 -2.06 0.00 0.00 37.83 35.80 2ppf s LYS 119 CO 0.19 -0.22 0.31 -0.08 0.10 0.00 0.00 175.35 175.64 2ppf s THR 120 N -3.93 0.09 -0.12 3.79 -1.32 -0.41 -5.00 115.64 108.74 2ppf s THR 120 Ca 0.25 -0.73 0.01 0.00 -1.21 0.00 0.00 61.69 60.00 2ppf s THR 120 Cb 0.07 -1.04 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2ppf s THR 120 CO 0.03 -0.40 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.28 2ppf s ILE 121 N -2.95 1.36 -0.08 5.08 1.01 -1.26 -0.98 121.20 123.38 2ppf s ILE 121 Ca -0.02 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2ppf s ILE 121 Cb 0.00 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 2ppf s ILE 121 CO -0.06 0.42 -0.18 -0.22 0.00 0.00 0.00 174.94 174.90 2ppf s LEU 122 N 1.39 2.47 -0.08 2.97 2.96 -0.28 -4.97 118.68 123.14 2ppf s LEU 122 Ca 0.01 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 2ppf s LEU 122 Cb -0.13 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 2ppf s LEU 122 CO -0.07 0.25 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.37 2ppf s ARG 123 N -0.18 2.86 0.06 1.98 3.52 -1.26 -0.41 118.95 125.52 2ppf s ARG 123 Ca -0.01 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2ppf s ARG 123 Cb -0.13 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2ppf s ARG 123 CO 0.03 0.25 -0.07 -0.59 -0.81 0.00 0.00 175.30 174.11 2ppf s PHE 124 N 0.16 0.74 -0.13 5.12 -0.12 -0.55 -4.98 117.98 118.22 2ppf s PHE 124 Ca -0.13 -0.67 -0.22 0.00 -0.05 0.00 0.00 56.93 55.86 2ppf s PHE 124 Cb -0.16 -0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 41.75 2ppf s PHE 124 CO 0.07 -0.12 0.66 0.21 -0.05 0.00 0.00 175.22 175.99 2ppf s LYS 125 N -2.47 4.34 -1.27 1.99 2.20 -1.26 -0.51 119.74 122.76 2ppf s LYS 125 Ca -0.02 0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 56.20 2ppf s LYS 125 Cb -0.04 -3.50 0.13 0.00 -1.51 0.00 0.00 37.83 32.92 2ppf s LYS 125 CO -0.02 -0.06 1.67 0.00 -0.36 0.00 0.00 175.35 176.58 2ppf n ALA 126 N 4.31 4.23 0.25 3.13 0.00 -0.29 -4.77 120.51 127.36 2ppf n ALA 126 Ca -0.02 -4.13 0.13 0.00 0.00 0.00 0.00 53.44 49.43 2ppf n ALA 126 Cb 0.51 -3.22 0.26 0.00 0.00 0.00 0.00 19.45 17.00 2ppf n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2ppf h THR 127 N 4.64 0.00 -3.34 0.00 1.35 -1.86 0.22 112.91 113.93 2ppf h THR 127 Ca 0.39 -0.90 -0.64 0.00 -0.55 0.00 0.00 66.41 64.71 2ppf h THR 127 Cb 0.80 1.90 -0.33 0.00 -1.73 0.00 0.00 68.15 68.79 2ppf h THR 127 CO 1.43 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.29 2ppf s LYS 128 N -3.28 2.75 0.19 4.72 1.02 -1.26 -4.73 119.74 119.16 2ppf s LYS 128 Ca 0.06 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 2ppf s LYS 128 Cb 0.06 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.16 2ppf s LYS 128 CO 0.65 0.12 0.90 -1.25 -0.92 0.00 0.00 175.35 174.84 2ppf s PRO 129 N 0.49 4.74 0.00 -1.68 0.04 -1.26 -4.81 135.00 132.52 2ppf s PRO 129 Ca -0.16 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2ppf s PRO 129 Cb -0.17 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2ppf s PRO 129 CO 0.06 0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.98 2ppf n GLY 130 N 1.70 -1.72 3.87 0.56 0.00 0.96 -2.16 105.19 108.39 2ppf n GLY 130 Ca -0.02 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 2ppf n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ppf s VAL 131 N -1.71 5.34 -0.02 1.61 -7.23 0.92 0.28 120.40 119.58 2ppf s VAL 131 Ca 0.00 0.41 -0.03 0.00 -1.81 0.00 0.00 61.98 60.55 2ppf s VAL 131 Cb 0.00 -3.51 0.01 0.00 0.56 0.00 0.00 36.38 33.43 2ppf s VAL 131 CO 0.00 0.59 0.07 -0.36 -0.31 0.00 0.00 175.10 175.09 2ppf s PHE 132 N -1.07 -0.06 0.45 2.82 0.08 -0.26 -4.46 117.98 115.48 2ppf s PHE 132 Ca 0.19 0.15 -0.23 0.00 0.12 0.00 0.00 56.93 57.15 2ppf s PHE 132 Cb -0.14 0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.25 2ppf s PHE 132 CO 0.08 -0.06 1.15 0.08 -0.10 0.00 0.00 175.22 176.37 2ppf s VAL 133 N -0.11 3.20 0.12 -0.44 1.01 -1.26 -0.46 120.40 122.45 2ppf s VAL 133 Ca -0.02 0.90 0.08 0.00 0.00 0.00 0.00 61.98 62.95 2ppf s VAL 133 Cb -0.01 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2ppf s VAL 133 CO 0.00 -0.01 -0.20 -0.72 0.00 0.00 0.00 175.10 174.17 2ppf s TYR 134 N -1.56 1.75 0.06 5.22 -0.85 -0.69 -1.34 117.35 119.93 2ppf s TYR 134 Ca 0.63 -0.44 -0.26 0.00 -0.52 0.00 0.00 57.07 56.48 2ppf s TYR 134 Cb -0.28 -0.94 0.09 0.00 0.38 0.00 0.00 41.96 41.21 2ppf s TYR 134 CO 0.34 0.22 0.74 -3.38 -1.52 0.00 0.00 175.55 171.95 2ppf s HIS 135 N -1.41 -0.47 0.48 -3.49 -3.43 -0.27 -0.77 115.29 105.94 2ppf s HIS 135 Ca 0.08 0.38 -0.21 0.00 -0.80 0.00 0.00 55.06 54.51 2ppf s HIS 135 Cb -0.09 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 31.51 2ppf s HIS 135 CO 0.05 -0.68 1.07 0.00 -2.00 0.00 0.00 174.74 173.18 2ppf n ALA 137 N -0.87 -1.50 -2.63 0.00 0.00 -1.26 -4.48 120.51 109.77 2ppf n ALA 137 Ca 0.09 -1.22 -0.42 0.00 0.00 0.00 0.00 53.44 51.89 2ppf n ALA 137 Cb 0.51 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 2ppf n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ppf s PRO 138 N 0.78 4.50 0.02 0.00 0.02 -1.26 -4.89 135.00 134.17 2ppf s PRO 138 Ca 0.30 1.50 -0.38 0.00 0.02 0.00 0.00 61.00 62.45 2ppf s PRO 138 Cb 0.03 -3.46 -0.18 0.00 0.02 0.00 0.00 34.50 30.92 2ppf s PRO 138 CO -0.08 -0.16 1.31 -2.30 -0.33 0.00 0.00 177.00 175.44 2ppf n PRO 139 N 4.16 0.83 0.00 5.54 -0.02 -1.26 -0.73 135.00 143.52 2ppf n PRO 139 Ca 0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2ppf n PRO 139 Cb 0.49 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2ppf n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppf n GLY 140 N 2.43 2.31 1.65 -1.23 0.00 -1.26 -4.80 105.19 104.29 2ppf n GLY 140 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2ppf n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ppf n MET 141 N -2.00 0.76 0.24 1.61 2.81 0.09 -4.99 117.12 115.65 2ppf n MET 141 Ca 0.00 -2.60 -0.10 0.00 -1.81 0.00 0.00 57.70 53.19 2ppf n MET 141 Cb 0.00 -0.68 -0.05 0.00 -0.71 0.00 0.00 33.22 31.79 2ppf n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ppf h VAL 142 N 5.57 0.00 0.00 2.03 2.07 -1.82 -2.98 116.25 121.11 2ppf h VAL 142 Ca -0.15 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2ppf h VAL 142 Cb 1.62 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2ppf h VAL 142 CO 0.13 0.00 -0.15 1.55 0.02 0.00 0.00 177.57 179.12 2ppf h PRO 143 N -0.75 0.00 -0.60 1.57 0.13 -1.92 -2.56 132.00 127.87 2ppf h PRO 143 Ca -0.06 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2ppf h PRO 143 Cb 0.49 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 2ppf h PRO 143 CO 0.11 0.15 0.35 2.35 -0.23 0.00 0.00 178.00 180.73 2ppf h TRP 144 N 0.00 0.66 -0.35 1.56 7.01 -1.96 0.12 115.95 122.99 2ppf h TRP 144 Ca -0.00 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 2ppf h TRP 144 Cb 0.28 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2ppf h TRP 144 CO 0.00 0.36 -0.23 0.45 -2.79 0.00 0.00 178.44 176.23 2ppf h HIS 145 N 0.69 0.90 -0.14 2.65 3.86 -1.31 -2.06 115.15 119.75 2ppf h HIS 145 Ca 0.25 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2ppf h HIS 145 Cb 0.07 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2ppf h HIS 145 CO -0.07 0.99 0.09 0.28 0.86 0.00 0.00 177.93 180.09 2ppf h VAL 146 N 0.56 1.03 -0.01 2.45 2.07 -1.07 -2.12 116.25 119.15 2ppf h VAL 146 Ca 0.07 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2ppf h VAL 146 Cb 0.79 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2ppf h VAL 146 CO 0.06 0.03 0.00 1.33 0.02 0.00 0.00 177.57 179.02 2ppf n VAL 147 N -5.00 0.01 0.58 2.57 0.24 0.37 -1.52 118.33 115.59 2ppf n VAL 147 Ca -0.04 -0.05 0.06 0.00 -2.04 0.00 0.00 64.34 62.27 2ppf n VAL 147 Cb 0.03 -0.28 0.19 0.00 -1.47 0.00 0.00 33.84 32.31 2ppf n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ppf n SER 148 N -0.74 2.41 0.00 -1.34 7.64 -0.77 -4.69 113.62 116.13 2ppf n SER 148 Ca 0.20 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2ppf n SER 148 Cb 0.14 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2ppf n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ppf n GLY 149 N 1.05 0.80 2.57 0.23 0.00 -0.57 -1.37 105.19 107.90 2ppf n GLY 149 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2ppf n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ppf n MET 150 N -2.29 3.56 -3.55 1.61 0.00 -0.85 -4.53 117.12 111.08 2ppf n MET 150 Ca 0.00 -2.78 -0.12 0.00 0.00 0.00 0.00 57.70 54.80 2ppf n MET 150 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 33.22 30.23 2ppf n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2ppf s ASN 151 N 1.96 -0.41 0.00 6.12 2.20 -1.26 -1.74 114.94 121.81 2ppf s ASN 151 Ca 0.54 -0.04 0.00 0.00 -0.94 0.00 0.00 52.86 52.42 2ppf s ASN 151 Cb 0.15 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 2ppf s ASN 151 CO -0.06 -0.84 0.00 0.61 -2.94 0.00 0.00 177.10 173.86 2ppf n GLY 152 N -0.05 3.44 3.36 0.45 0.00 0.05 -0.62 105.19 111.81 2ppf n GLY 152 Ca -0.17 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2ppf n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf s ALA 153 N -1.06 -0.55 0.22 4.61 0.00 -1.26 -1.71 121.76 122.02 2ppf s ALA 153 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2ppf s ALA 153 Cb 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 2ppf s ALA 153 CO 0.00 -0.67 -0.15 0.96 0.00 0.00 0.00 175.76 175.90 2ppf s ILE 154 N -3.88 1.87 -0.14 0.00 -4.36 0.39 -2.89 121.20 112.20 2ppf s ILE 154 Ca 0.09 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.26 2ppf s ILE 154 Cb 0.02 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.63 2ppf s ILE 154 CO -0.06 -0.55 -0.20 -0.32 0.24 0.00 0.00 174.94 174.06 2ppf s MET 155 N -3.62 2.77 -0.46 0.37 -2.45 0.54 -1.10 119.30 115.35 2ppf s MET 155 Ca 0.24 -0.76 -0.09 0.00 -1.25 0.00 0.00 55.69 53.83 2ppf s MET 155 Cb -0.01 -2.29 0.11 0.00 1.25 0.00 0.00 34.83 33.89 2ppf s MET 155 CO 0.09 -0.06 0.32 0.08 1.05 0.00 0.00 175.02 176.50 2ppf s VAL 156 N 0.94 4.14 0.41 10.11 1.01 0.14 -1.25 120.40 135.90 2ppf s VAL 156 Ca -0.05 -1.76 -0.23 0.00 0.00 0.00 0.00 61.98 59.93 2ppf s VAL 156 Cb -0.15 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2ppf s VAL 156 CO -0.03 -0.74 1.01 -0.76 0.00 0.00 0.00 175.10 174.58 2ppf s LEU 157 N 1.35 4.09 0.70 3.92 1.43 -0.13 -0.03 118.68 130.02 2ppf s LEU 157 Ca 0.06 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 2ppf s LEU 157 Cb -0.26 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 41.71 2ppf s LEU 157 CO -0.01 -0.45 1.23 -2.84 0.23 0.00 0.00 176.35 174.52 2ppf s PRO 158 N -2.65 2.29 0.51 1.29 0.02 -1.26 -0.51 135.00 134.69 2ppf s PRO 158 Ca 0.59 1.86 0.22 0.00 0.02 0.00 0.00 61.00 63.68 2ppf s PRO 158 Cb -0.18 -1.84 1.33 0.00 0.02 0.00 0.00 34.50 33.83 2ppf s PRO 158 CO 0.23 -1.74 2.08 0.00 -0.33 0.00 0.00 177.00 177.24 2ppf h ARG 159 N 0.01 0.00 -0.65 5.54 3.08 -1.89 -1.16 114.38 119.32 2ppf h ARG 159 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2ppf h ARG 159 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2ppf h ARG 159 CO 0.51 0.11 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 2ppf n GLU 160 N -4.01 3.72 -0.16 0.04 -0.58 -1.26 -0.50 120.64 117.88 2ppf n GLU 160 Ca -0.02 -2.41 0.02 0.00 -0.42 0.00 0.00 57.16 54.32 2ppf n GLU 160 Cb 0.20 -1.97 -0.01 0.00 -0.57 0.00 0.00 31.44 29.10 2ppf n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ppf n GLY 161 N 0.70 -1.77 3.81 0.62 0.00 -0.44 -4.76 105.19 103.36 2ppf n GLY 161 Ca 0.21 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2ppf n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ppf s LEU 162 N 0.00 3.89 0.04 0.99 1.43 -1.26 -4.45 118.68 119.32 2ppf s LEU 162 Ca 0.00 1.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.86 2ppf s LEU 162 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 2ppf s LEU 162 CO 0.00 -0.52 -0.03 -1.00 0.23 0.00 0.00 176.35 175.03 2ppf s HIS 163 N -2.12 0.41 0.72 0.29 3.76 -1.26 -1.15 115.29 115.93 2ppf s HIS 163 Ca 0.64 -0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 2ppf s HIS 163 Cb -0.12 -0.31 0.17 0.00 1.11 0.00 0.00 32.58 33.43 2ppf s HIS 163 CO 0.16 -0.31 0.89 -0.40 -0.85 0.00 0.00 174.74 174.23 2ppf n ASP 164 N 0.68 -0.34 0.07 1.40 5.68 0.11 -4.83 116.55 119.31 2ppf n ASP 164 Ca -0.18 -1.25 0.08 0.00 -0.50 0.00 0.00 54.79 52.94 2ppf n ASP 164 Cb 0.59 -0.70 0.36 0.00 -1.14 0.00 0.00 41.12 40.22 2ppf n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ppf n GLY 165 N -1.37 -0.98 0.56 6.12 0.00 -1.26 -2.31 105.19 105.94 2ppf n GLY 165 Ca 0.11 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2ppf n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ppf n LYS 166 N -1.87 2.34 -0.80 1.61 4.01 -1.26 -4.98 118.16 117.21 2ppf n LYS 166 Ca 0.02 -2.67 0.00 0.00 -0.51 0.00 0.00 58.31 55.15 2ppf n LYS 166 Cb 0.14 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 32.99 2ppf n LYS 166 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ppf n GLY 167 N -0.79 0.83 3.73 0.72 0.00 -0.98 -5.03 105.19 103.67 2ppf n GLY 167 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2ppf n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ppf s LYS 168 N -0.20 4.61 0.34 1.61 2.20 -1.26 -4.78 119.74 122.25 2ppf s LYS 168 Ca 0.00 1.63 -0.29 0.00 -0.36 0.00 0.00 55.97 56.95 2ppf s LYS 168 Cb 0.00 -3.32 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 2ppf s LYS 168 CO 0.00 0.09 1.39 0.00 -0.36 0.00 0.00 175.35 176.47 2ppf s ALA 169 N -0.01 3.54 -0.26 3.13 0.00 -1.26 0.04 121.76 126.93 2ppf s ALA 169 Ca 0.49 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.85 2ppf s ALA 169 Cb -0.27 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.38 2ppf s ALA 169 CO 0.32 -0.80 -0.06 -0.51 0.00 0.00 0.00 175.76 174.72 2ppf s LEU 170 N -1.73 3.12 -0.21 0.00 1.43 -0.30 -4.79 118.68 116.19 2ppf s LEU 170 Ca 0.51 -1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2ppf s LEU 170 Cb -0.42 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2ppf s LEU 170 CO 0.55 -0.24 -0.11 -0.89 0.23 0.00 0.00 176.35 175.89 2ppf s THR 171 N 1.24 2.77 0.37 5.49 2.01 -1.26 -4.10 115.64 122.16 2ppf s THR 171 Ca -0.05 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 2ppf s THR 171 Cb -0.19 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.99 2ppf s THR 171 CO -0.07 0.43 0.76 -0.72 -0.69 0.00 0.00 174.62 174.34 2ppf s TYR 172 N 1.38 3.42 -0.06 4.92 -0.85 -1.26 -4.85 117.35 120.05 2ppf s TYR 172 Ca 0.05 1.14 0.01 0.00 -0.52 0.00 0.00 57.07 57.74 2ppf s TYR 172 Cb -0.14 -2.50 -0.25 0.00 0.38 0.00 0.00 41.96 39.45 2ppf s TYR 172 CO -0.07 -0.02 0.59 -0.44 -1.52 0.00 0.00 175.55 174.09 2ppf h ASP 173 N 1.70 0.26 -4.72 -0.18 3.32 -0.78 -3.49 116.42 112.53 2ppf h ASP 173 Ca -0.47 -0.52 -0.28 0.00 0.02 0.00 0.00 57.03 55.78 2ppf h ASP 173 Cb 1.18 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 2ppf h ASP 173 CO 0.64 1.45 -0.73 -0.54 -1.72 0.00 0.00 179.24 178.35 2ppf s LYS 174 N -2.59 0.59 -0.02 3.56 1.02 -0.85 -5.02 119.74 116.42 2ppf s LYS 174 Ca -0.13 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.04 2ppf s LYS 174 Cb 0.07 -0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.06 2ppf s LYS 174 CO 0.81 0.05 -0.06 -1.50 -0.92 0.00 0.00 175.35 173.73 2ppf s ILE 175 N -1.62 0.52 0.08 2.17 2.07 -1.26 -1.02 121.20 122.14 2ppf s ILE 175 Ca -0.07 -0.22 0.06 0.00 -1.41 0.00 0.00 60.65 59.01 2ppf s ILE 175 Cb -0.08 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 2ppf s ILE 175 CO 0.00 0.17 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.72 2ppf s TYR 176 N 0.20 1.47 -0.24 3.50 2.02 -0.40 -4.48 117.35 119.42 2ppf s TYR 176 Ca -0.02 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2ppf s TYR 176 Cb -0.07 -0.82 0.04 0.00 -0.40 0.00 0.00 41.96 40.71 2ppf s TYR 176 CO -0.00 0.12 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.52 2ppf s TYR 177 N -1.19 3.08 -0.36 2.71 5.04 -0.16 -0.90 117.35 125.56 2ppf s TYR 177 Ca 0.02 -1.84 -0.11 0.00 -2.44 0.00 0.00 57.07 52.70 2ppf s TYR 177 Cb -0.10 -1.99 0.02 0.00 0.35 0.00 0.00 41.96 40.24 2ppf s TYR 177 CO 0.03 -0.80 0.20 0.08 -1.34 0.00 0.00 175.55 173.72 2ppf s VAL 178 N 1.24 4.63 -0.25 3.14 1.01 0.87 -4.21 120.40 126.83 2ppf s VAL 178 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2ppf s VAL 178 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2ppf s VAL 178 CO -0.06 -0.18 0.33 -0.83 0.00 0.00 0.00 175.10 174.36 2ppf s GLY 179 N 1.57 1.95 -0.17 4.51 0.00 -1.26 -1.74 107.32 112.18 2ppf s GLY 179 Ca 0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.87 2ppf s GLY 179 CO 0.07 0.82 0.13 1.85 0.00 0.00 0.00 173.10 175.97 2ppf s GLU 180 N 1.70 3.92 -0.10 2.90 2.12 -0.52 -1.57 118.70 127.16 2ppf s GLU 180 Ca 0.14 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.29 2ppf s GLU 180 Cb -0.15 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.92 2ppf s GLU 180 CO 0.09 0.47 -0.12 -1.14 -0.54 0.00 0.00 175.26 174.02 2ppf s GLN 181 N -0.13 1.81 -0.17 4.30 2.00 0.66 -4.49 119.66 123.64 2ppf s GLN 181 Ca 0.10 -0.41 -0.19 0.00 -2.00 0.00 0.00 55.36 52.87 2ppf s GLN 181 Cb -0.11 -1.63 -0.03 0.00 0.80 0.00 0.00 33.01 32.03 2ppf s GLN 181 CO 0.00 -0.11 0.55 0.16 -0.50 0.00 0.00 175.29 175.39 2ppf s ASP 182 N 1.15 6.65 0.16 6.67 3.84 -1.26 -0.88 116.67 132.99 2ppf s ASP 182 Ca -0.05 0.78 0.09 0.00 -0.00 0.00 0.00 52.55 53.37 2ppf s ASP 182 Cb -0.14 -2.31 -0.04 0.00 -1.38 0.00 0.00 42.92 39.04 2ppf s ASP 182 CO -0.03 -0.16 -0.16 -0.36 -0.00 0.00 0.00 175.17 174.46 2ppf s PHE 183 N 1.44 2.53 -0.54 2.11 0.08 -0.15 -4.77 117.98 118.67 2ppf s PHE 183 Ca 0.26 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.09 2ppf s PHE 183 Cb -0.16 -1.28 0.18 0.00 -0.57 0.00 0.00 43.02 41.19 2ppf s PHE 183 CO 0.10 0.46 0.43 0.66 -0.10 0.00 0.00 175.22 176.77 2ppf n TYR 184 N 0.38 1.00 -3.32 0.36 4.02 -1.26 -0.99 117.16 117.35 2ppf n TYR 184 Ca -0.13 -3.77 -0.39 0.00 -0.01 0.00 0.00 57.90 53.60 2ppf n TYR 184 Cb 0.54 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 2ppf n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2ppf s VAL 185 N -0.73 5.14 0.55 -0.72 1.01 -1.26 -4.75 120.40 119.64 2ppf s VAL 185 Ca 0.30 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 2ppf s VAL 185 Cb 0.02 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2ppf s VAL 185 CO -0.18 0.18 1.32 -2.65 0.00 0.00 0.00 175.10 173.78 2ppf n PRO 186 N 4.89 1.63 -4.31 2.72 -0.02 -1.26 -4.88 135.00 133.76 2ppf n PRO 186 Ca -0.06 0.60 -0.25 0.00 -2.02 0.00 0.00 63.50 61.76 2ppf n PRO 186 Cb 0.51 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 2ppf n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ppf s ARG 187 N -2.85 2.10 0.46 -0.52 0.52 -1.26 -1.04 118.95 116.37 2ppf s ARG 187 Ca 0.72 -1.36 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2ppf s ARG 187 Cb -0.42 -2.12 0.10 0.00 0.52 0.00 0.00 34.95 33.02 2ppf s ARG 187 CO 0.49 0.40 0.63 -0.40 0.02 0.00 0.00 175.30 176.45 2ppf n ASP 188 N -0.33 0.56 0.23 0.23 5.68 0.59 -4.82 116.55 118.69 2ppf n ASP 188 Ca -0.09 -1.54 0.16 0.00 -0.50 0.00 0.00 54.79 52.82 2ppf n ASP 188 Cb 0.57 -0.44 0.76 0.00 -1.14 0.00 0.00 41.12 40.87 2ppf n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2ppf h GLU 189 N 0.00 0.00 -0.70 0.11 4.39 -2.02 -1.85 114.58 114.52 2ppf h GLU 189 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2ppf h GLU 189 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2ppf h GLU 189 CO 0.20 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.14 2ppf n ASN 190 N -2.65 3.89 -0.15 1.42 5.03 -1.26 -4.93 115.26 116.60 2ppf n ASN 190 Ca -0.01 -2.00 -0.02 0.00 0.87 0.00 0.00 54.58 53.43 2ppf n ASN 190 Cb 0.15 -0.47 -0.01 0.00 -1.02 0.00 0.00 39.78 38.43 2ppf n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ppf n GLY 191 N 1.65 0.54 3.79 7.41 0.00 -0.69 -5.03 105.19 112.86 2ppf n GLY 191 Ca 0.24 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 2ppf n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ppf s LYS 192 N -1.94 4.04 0.21 1.61 2.20 -1.26 -4.83 119.74 119.77 2ppf s LYS 192 Ca 0.00 0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.58 2ppf s LYS 192 Cb 0.00 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 2ppf s LYS 192 CO 0.00 0.48 1.51 0.71 -0.36 0.00 0.00 175.35 177.69 2ppf s TYR 193 N -0.35 3.01 0.43 4.03 1.51 -1.26 -0.30 117.35 124.43 2ppf s TYR 193 Ca 0.21 0.82 -0.22 0.00 -1.01 0.00 0.00 57.07 56.87 2ppf s TYR 193 Cb -0.15 -3.89 -0.10 0.00 -0.11 0.00 0.00 41.96 37.71 2ppf s TYR 193 CO 0.09 -3.10 0.99 0.15 -1.11 0.00 0.00 175.55 172.57 2ppf s LYS 194 N 0.32 4.13 0.16 -0.62 1.02 -0.21 -4.86 119.74 119.69 2ppf s LYS 194 Ca 0.65 1.26 0.09 0.00 0.02 0.00 0.00 55.97 57.99 2ppf s LYS 194 Cb -0.43 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2ppf s LYS 194 CO 0.38 -0.13 -0.13 0.15 -0.92 0.00 0.00 175.35 174.70 2ppf s LYS 195 N -3.00 1.94 0.06 1.68 1.02 -1.26 -4.71 119.74 115.46 2ppf s LYS 195 Ca 0.62 -1.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 2ppf s LYS 195 Cb -0.14 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 2ppf s LYS 195 CO 0.18 0.45 -0.02 0.71 -0.92 0.00 0.00 175.35 175.75 2ppf s TYR 196 N -1.50 0.55 -1.38 3.18 2.02 -1.26 -5.08 117.35 113.89 2ppf s TYR 196 Ca 0.22 -1.09 0.13 0.00 -0.37 0.00 0.00 57.07 55.97 2ppf s TYR 196 Cb -0.09 -0.40 0.27 0.00 -0.40 0.00 0.00 41.96 41.33 2ppf s TYR 196 CO 0.13 -0.39 1.16 0.39 -1.57 0.00 0.00 175.55 175.26 2ppf n GLU 197 N 0.09 2.04 -3.60 -0.62 -0.58 -1.26 -4.97 120.64 111.74 2ppf n GLU 197 Ca -0.13 -1.82 -0.16 0.00 -0.42 0.00 0.00 57.16 54.63 2ppf n GLU 197 Cb 0.61 -1.30 -0.07 0.00 -0.57 0.00 0.00 31.44 30.11 2ppf n GLU 197 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ppf s ALA 198 N -1.06 -1.55 0.23 0.62 0.00 -1.26 -5.08 121.76 113.67 2ppf s ALA 198 Ca 0.23 1.31 -0.06 0.00 0.00 0.00 0.00 51.96 53.45 2ppf s ALA 198 Cb 0.13 -0.32 0.34 0.00 0.00 0.00 0.00 23.12 23.28 2ppf s ALA 198 CO 0.18 -0.33 1.82 -1.35 0.00 0.00 0.00 175.76 176.08 2ppf h PRO 199 N 3.81 0.76 0.00 0.00 0.11 -1.95 -2.14 132.00 132.59 2ppf h PRO 199 Ca -0.28 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2ppf h PRO 199 Cb 1.15 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2ppf h PRO 199 CO 0.30 0.50 -0.13 0.78 -0.21 0.00 0.00 178.00 179.25 2ppf h GLY 200 N 0.79 0.00 2.00 -0.55 0.00 -2.00 -2.50 103.07 100.81 2ppf h GLY 200 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2ppf h GLY 200 CO -0.22 0.00 -0.10 -0.55 0.00 0.00 0.00 176.54 175.67 2ppf h ASP 201 N 0.00 0.00 0.91 0.19 3.32 -1.81 -2.63 116.42 116.40 2ppf h ASP 201 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ppf h ASP 201 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2ppf h ASP 201 CO 0.02 0.10 -0.35 0.00 -1.72 0.00 0.00 179.24 177.29 2ppf n ALA 202 N -2.49 2.84 0.05 3.45 0.00 -0.94 -4.59 120.51 118.83 2ppf n ALA 202 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2ppf n ALA 202 Cb 0.18 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 2ppf n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ppf h TYR 203 N 0.00 -1.17 -0.50 0.00 5.03 -1.53 -0.79 116.97 118.01 2ppf h TYR 203 Ca 0.00 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.38 2ppf h TYR 203 Cb 0.63 0.51 -0.04 0.00 1.55 0.00 0.00 36.73 39.38 2ppf h TYR 203 CO 0.00 -0.43 0.28 1.49 -1.32 0.00 0.00 178.16 178.17 2ppf h GLU 204 N -0.52 0.53 -0.84 1.82 4.81 -1.81 -0.97 114.58 117.60 2ppf h GLU 204 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2ppf h GLU 204 Cb 0.55 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2ppf h GLU 204 CO -0.25 0.35 0.39 -0.44 -0.73 0.00 0.00 179.01 178.33 2ppf h ASP 205 N 0.55 1.12 -0.43 1.04 3.45 -1.82 -2.96 116.42 117.37 2ppf h ASP 205 Ca 0.21 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.41 2ppf h ASP 205 Cb 0.07 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 2ppf h ASP 205 CO -0.12 0.95 -0.19 0.74 -1.57 0.00 0.00 179.24 179.05 2ppf h THR 206 N 1.21 1.28 -0.96 0.35 2.02 -0.54 -3.04 112.91 113.22 2ppf h THR 206 Ca 0.29 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 66.17 2ppf h THR 206 Cb 0.14 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2ppf h THR 206 CO -0.03 0.45 0.63 0.58 0.37 0.00 0.00 175.52 177.52 2ppf h VAL 207 N 0.72 1.19 -0.74 3.16 2.07 -1.12 0.01 116.25 121.54 2ppf h VAL 207 Ca 0.10 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2ppf h VAL 207 Cb 0.75 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2ppf h VAL 207 CO 0.06 0.23 0.46 0.50 0.02 0.00 0.00 177.57 178.84 2ppf h LYS 208 N 1.24 0.86 -0.36 1.57 3.64 -1.42 -1.33 116.57 120.77 2ppf h LYS 208 Ca 0.38 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.58 2ppf h LYS 208 Cb -0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2ppf h LYS 208 CO -0.11 0.57 -0.27 0.28 -2.27 0.00 0.00 179.45 177.65 2ppf h VAL 209 N 0.88 1.28 -0.89 2.00 2.07 -1.32 -3.16 116.25 117.12 2ppf h VAL 209 Ca 0.31 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.46 2ppf h VAL 209 Cb 0.07 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2ppf h VAL 209 CO -0.13 0.47 0.56 0.24 0.02 0.00 0.00 177.57 178.73 2ppf h MET 210 N 0.61 0.99 0.00 1.57 2.86 -0.64 -1.69 114.93 118.63 2ppf h MET 210 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ppf h MET 210 Cb 0.84 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2ppf h MET 210 CO 0.07 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.70 2ppf h ARG 211 N 1.02 0.00 0.00 1.72 3.08 -1.22 -0.38 114.38 118.60 2ppf h ARG 211 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2ppf h ARG 211 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2ppf h ARG 211 CO -0.17 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.98 2ppf n THR 212 N -2.31 0.42 -1.90 2.04 -2.24 -0.64 -4.90 114.28 104.75 2ppf n THR 212 Ca 0.01 0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 2ppf n THR 212 Cb 0.19 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 2ppf n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ppf n LEU 213 N -1.57 -1.28 -3.92 3.22 4.77 -0.15 -4.94 117.00 113.12 2ppf n LEU 213 Ca 0.05 0.26 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 2ppf n LEU 213 Cb 0.28 -2.35 -0.15 0.00 -2.33 0.00 0.00 43.42 38.87 2ppf n LEU 213 CO 0.22 -0.51 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.55 2ppf s THR 214 N -2.53 1.79 0.51 -5.08 2.01 -1.26 -5.11 115.64 105.97 2ppf s THR 214 Ca 0.00 -2.04 -0.22 0.00 0.31 0.00 0.00 61.69 59.74 2ppf s THR 214 Cb 0.00 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 2ppf s THR 214 CO 0.00 -0.63 1.26 -2.16 -0.69 0.00 0.00 174.62 172.40 2ppf s PRO 215 N 1.12 3.40 0.22 4.92 0.04 -1.26 -4.92 135.00 138.51 2ppf s PRO 215 Ca 0.11 1.99 0.13 0.00 0.04 0.00 0.00 61.00 63.27 2ppf s PRO 215 Cb -0.19 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2ppf s PRO 215 CO -0.14 -0.91 1.36 1.79 0.04 0.00 0.00 177.00 179.14 2ppf h THR 216 N 1.58 1.09 -3.58 1.26 1.35 -1.42 -3.46 112.91 109.73 2ppf h THR 216 Ca -0.50 -2.56 -0.19 0.00 -0.55 0.00 0.00 66.41 62.60 2ppf h THR 216 Cb 1.28 2.53 -0.25 0.00 -1.73 0.00 0.00 68.15 69.98 2ppf h THR 216 CO 0.58 0.62 -0.60 -1.00 -0.25 0.00 0.00 175.52 174.87 2ppf s HIS 217 N -2.88 -0.02 -0.17 4.73 3.76 -1.15 -4.87 115.29 114.68 2ppf s HIS 217 Ca 0.03 0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 54.98 2ppf s HIS 217 Cb 0.08 -0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.81 2ppf s HIS 217 CO 0.77 -0.11 0.01 0.08 -0.85 0.00 0.00 174.74 174.64 2ppf s VAL 218 N -0.43 0.69 0.08 -0.90 1.01 -0.21 -0.98 120.40 119.65 2ppf s VAL 218 Ca -0.05 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2ppf s VAL 218 Cb -0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2ppf s VAL 218 CO 0.00 -0.06 -0.09 0.68 0.00 0.00 0.00 175.10 175.63 2ppf s VAL 219 N 1.80 0.77 -0.08 2.92 -7.23 -0.06 -0.45 120.40 118.07 2ppf s VAL 219 Ca -0.00 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 2ppf s VAL 219 Cb -0.16 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2ppf s VAL 219 CO -0.07 -0.55 0.21 -0.36 -0.31 0.00 0.00 175.10 174.02 2ppf s PHE 220 N -2.28 3.63 -1.45 2.82 0.08 -1.26 -0.24 117.98 119.27 2ppf s PHE 220 Ca 0.01 0.64 -0.09 0.00 0.12 0.00 0.00 56.93 57.62 2ppf s PHE 220 Cb -0.04 -2.02 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2ppf s PHE 220 CO -0.01 0.71 0.72 -1.71 -0.10 0.00 0.00 175.22 174.83 2ppf n ASN 221 N 1.86 -5.17 0.00 1.36 2.85 -0.61 -2.86 115.26 112.69 2ppf n ASN 221 Ca -0.18 -0.45 0.00 0.00 -0.11 0.00 0.00 54.58 53.84 2ppf n ASN 221 Cb 0.54 -4.17 0.00 0.00 1.24 0.00 0.00 39.78 37.39 2ppf n ASN 221 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ppf n GLY 222 N -1.51 1.45 3.52 8.20 0.00 -0.96 -4.78 105.19 111.12 2ppf n GLY 222 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2ppf n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf s ALA 223 N -3.55 -1.77 0.15 4.61 0.00 -1.13 -4.57 121.76 115.50 2ppf s ALA 223 Ca 0.00 1.35 -0.34 0.00 0.00 0.00 0.00 51.96 52.97 2ppf s ALA 223 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 23.12 22.93 2ppf s ALA 223 CO 0.00 -0.37 1.56 0.28 0.00 0.00 0.00 175.76 177.23 2ppf n VAL 224 N 0.99 0.01 -0.92 0.00 0.31 0.36 -1.82 118.33 117.25 2ppf n VAL 224 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2ppf n VAL 224 Cb 0.57 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 2ppf n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppf n GLY 225 N 3.36 0.52 0.22 2.92 0.00 -1.26 -4.83 105.19 106.12 2ppf n GLY 225 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2ppf n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf h ALA 226 N 0.00 0.02 -0.66 4.61 0.00 -1.58 -2.62 119.26 119.04 2ppf h ALA 226 Ca 0.00 0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.43 2ppf h ALA 226 Cb 0.15 0.39 -0.20 0.00 0.00 0.00 0.00 17.79 18.13 2ppf h ALA 226 CO 0.00 -0.58 0.62 1.28 0.00 0.00 0.00 179.25 180.58 2ppf n LEU 227 N -5.33 6.78 -4.26 0.00 4.77 -1.26 -4.42 117.00 113.28 2ppf n LEU 227 Ca -0.00 -4.29 -0.14 0.00 -0.03 0.00 0.00 56.01 51.55 2ppf n LEU 227 Cb 0.25 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 2ppf n LEU 227 CO 0.16 1.75 -0.30 0.42 -1.33 0.00 0.00 177.39 178.10 2ppf s THR 228 N -2.90 0.58 0.00 -5.08 -4.23 -0.99 -0.97 115.64 102.05 2ppf s THR 228 Ca 0.57 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2ppf s THR 228 Cb 0.39 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2ppf s THR 228 CO -0.26 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2ppf n GLY 229 N -0.31 3.32 0.33 3.99 0.00 -1.26 -0.99 105.19 110.27 2ppf n GLY 229 Ca -0.04 0.25 0.22 0.00 0.00 0.00 0.00 46.02 46.45 2ppf n GLY 229 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2ppf h ASP 230 N 0.00 0.00 -0.15 1.61 2.03 -1.95 -2.12 116.42 115.83 2ppf h ASP 230 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ppf h ASP 230 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2ppf h ASP 230 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 2ppf n LYS 231 N -3.14 2.41 -1.76 4.15 5.02 -0.16 -5.01 118.16 119.66 2ppf n LYS 231 Ca -0.03 -2.42 -0.40 0.00 -2.02 0.00 0.00 58.31 53.44 2ppf n LYS 231 Cb 0.09 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2ppf n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ppf n ALA 232 N -0.63 2.08 -1.80 7.82 0.00 -0.80 -3.94 120.51 123.23 2ppf n ALA 232 Ca 0.15 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 2ppf n ALA 232 Cb 0.63 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 2ppf n ALA 232 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2ppf s MET 233 N -2.31 3.93 0.10 0.00 -1.94 -0.60 -4.85 119.30 113.63 2ppf s MET 233 Ca 0.58 1.10 0.06 0.00 -1.71 0.00 0.00 55.69 55.73 2ppf s MET 233 Cb -0.46 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 2ppf s MET 233 CO 0.60 -0.29 -0.16 0.95 -0.01 0.00 0.00 175.02 176.11 2ppf s THR 234 N -2.37 1.36 0.39 2.05 -4.23 -1.26 -0.56 115.64 111.02 2ppf s THR 234 Ca 0.62 -1.54 -0.15 0.00 -1.18 0.00 0.00 61.69 59.44 2ppf s THR 234 Cb -0.11 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.40 2ppf s THR 234 CO 0.25 -0.26 0.78 0.00 -0.54 0.00 0.00 174.62 174.84 2ppf s ALA 235 N -1.60 -0.64 0.10 3.99 0.00 -1.00 -4.95 121.76 117.67 2ppf s ALA 235 Ca 0.05 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2ppf s ALA 235 Cb -0.08 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2ppf s ALA 235 CO 0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 175.76 174.72 2ppf s ALA 236 N -2.28 1.15 0.17 0.00 0.00 -1.26 -1.84 121.76 117.71 2ppf s ALA 236 Ca 0.16 -1.21 -0.33 0.00 0.00 0.00 0.00 51.96 50.58 2ppf s ALA 236 Cb -0.05 0.02 -0.15 0.00 0.00 0.00 0.00 23.12 22.95 2ppf s ALA 236 CO 0.12 -0.03 1.37 0.28 0.00 0.00 0.00 175.76 177.50 2ppf n VAL 237 N 0.52 0.53 0.00 0.00 0.31 -0.21 -1.06 118.33 118.41 2ppf n VAL 237 Ca -0.16 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2ppf n VAL 237 Cb 0.58 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 2ppf n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppf n GLY 238 N 2.49 2.87 3.75 2.92 0.00 0.39 -5.00 105.19 112.61 2ppf n GLY 238 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2ppf n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppf s GLU 239 N -0.78 4.74 -0.22 1.61 2.12 -0.22 -4.78 118.70 121.17 2ppf s GLU 239 Ca 0.00 1.64 -0.12 0.00 0.36 0.00 0.00 54.97 56.86 2ppf s GLU 239 Cb 0.00 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2ppf s GLU 239 CO 0.00 0.34 0.20 0.15 -0.54 0.00 0.00 175.26 175.41 2ppf s LYS 240 N -1.19 4.13 -0.04 4.30 1.02 -1.26 -1.56 119.74 125.13 2ppf s LYS 240 Ca 0.43 -0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.32 2ppf s LYS 240 Cb -0.29 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 2ppf s LYS 240 CO 0.36 0.12 -0.18 0.08 -0.92 0.00 0.00 175.35 174.80 2ppf s VAL 241 N 0.88 1.53 -0.22 3.17 1.01 0.22 0.03 120.40 127.02 2ppf s VAL 241 Ca 0.10 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2ppf s VAL 241 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2ppf s VAL 241 CO 0.03 0.44 0.10 -0.22 0.00 0.00 0.00 175.10 175.45 2ppf s LEU 242 N -0.03 3.83 -0.35 3.92 2.96 -0.19 -1.30 118.68 127.52 2ppf s LEU 242 Ca -0.03 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 2ppf s LEU 242 Cb -0.11 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.62 2ppf s LEU 242 CO 0.02 0.08 0.12 -0.63 -1.32 0.00 0.00 176.35 174.62 2ppf s ILE 243 N 0.97 3.76 -0.01 6.68 1.01 0.38 -1.27 121.20 132.72 2ppf s ILE 243 Ca 0.05 -1.23 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 2ppf s ILE 243 Cb -0.14 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2ppf s ILE 243 CO 0.03 -0.24 0.62 -0.69 0.00 0.00 0.00 174.94 174.66 2ppf s VAL 244 N 1.38 4.92 -0.04 2.92 1.01 -0.08 -1.57 120.40 128.94 2ppf s VAL 244 Ca -0.01 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.28 2ppf s VAL 244 Cb -0.20 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2ppf s VAL 244 CO 0.02 0.39 -0.03 -2.28 0.00 0.00 0.00 175.10 173.20 2ppf s HIS 245 N -0.03 0.67 0.19 5.22 2.46 -0.39 -0.09 115.29 123.31 2ppf s HIS 245 Ca 0.32 -0.17 0.09 0.00 0.47 0.00 0.00 55.06 55.78 2ppf s HIS 245 Cb -0.18 -0.63 -0.04 0.00 -0.13 0.00 0.00 32.58 31.60 2ppf s HIS 245 CO 0.18 -0.19 -0.18 -1.54 -2.47 0.00 0.00 174.74 170.53 2ppf s SER 246 N 1.01 2.83 -0.24 9.88 1.04 -0.71 -0.82 113.70 126.68 2ppf s SER 246 Ca -0.10 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 2ppf s SER 246 Cb -0.14 -0.18 0.13 0.00 0.10 0.00 0.00 66.02 65.93 2ppf s SER 246 CO -0.01 -0.03 0.37 -1.58 0.98 0.00 0.00 173.24 172.97 2ppf s GLN 247 N -3.00 0.34 0.24 4.02 -0.44 -0.67 -1.44 119.66 118.71 2ppf s GLN 247 Ca 0.19 0.52 0.26 0.00 -2.50 0.00 0.00 55.36 53.82 2ppf s GLN 247 Cb -0.05 -0.53 0.72 0.00 -1.64 0.00 0.00 33.01 31.52 2ppf s GLN 247 CO 0.08 -0.64 1.74 0.00 0.50 0.00 0.00 175.29 176.97 2ppf h ALA 248 N 8.19 0.99 0.00 1.58 0.00 -1.81 0.24 119.26 128.45 2ppf h ALA 248 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ppf h ALA 248 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ppf h ALA 248 CO 0.27 0.00 -0.43 -1.71 0.00 0.00 0.00 179.25 177.38 2ppf n ASN 249 N -2.39 2.16 -3.79 0.00 5.15 -1.26 -2.98 115.26 112.15 2ppf n ASN 249 Ca 0.05 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.91 2ppf n ASN 249 Cb 0.45 0.43 -0.10 0.00 -0.53 0.00 0.00 39.78 40.02 2ppf n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2ppf s ARG 250 N -0.88 0.48 0.60 1.20 3.52 -1.26 -4.68 118.95 117.93 2ppf s ARG 250 Ca 0.00 0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 55.41 2ppf s ARG 250 Cb 0.00 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.57 2ppf s ARG 250 CO 0.00 -0.11 1.21 -0.25 -0.81 0.00 0.00 175.30 175.35 2ppf n ASP 251 N 2.02 1.88 -4.12 -2.12 10.43 -1.26 -3.46 116.55 119.91 2ppf n ASP 251 Ca -0.18 0.87 -0.10 0.00 2.57 0.00 0.00 54.79 57.95 2ppf n ASP 251 Cb 0.57 -1.51 -0.09 0.00 1.84 0.00 0.00 41.12 41.92 2ppf n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2ppf s THR 252 N -1.39 0.07 -0.41 -3.53 -1.32 -0.25 -4.82 115.64 103.98 2ppf s THR 252 Ca 0.77 -1.82 0.04 0.00 -1.21 0.00 0.00 61.69 59.47 2ppf s THR 252 Cb -0.41 -2.11 0.17 0.00 -1.51 0.00 0.00 72.50 68.64 2ppf s THR 252 CO 0.45 -0.32 0.36 -2.11 -2.21 0.00 0.00 174.62 170.80 2ppf n ARG 253 N -0.16 0.22 -2.00 7.08 1.85 -1.26 -1.33 116.66 121.05 2ppf n ARG 253 Ca -0.04 -3.14 -0.36 0.00 -1.00 0.00 0.00 57.85 53.31 2ppf n ARG 253 Cb 0.64 -1.64 0.03 0.00 -1.05 0.00 0.00 32.46 30.44 2ppf n ARG 253 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2ppf s PRO 254 N 0.03 3.04 -0.21 2.89 0.02 -1.05 -0.29 135.00 139.43 2ppf s PRO 254 Ca 0.33 1.87 -0.11 0.00 0.02 0.00 0.00 61.00 63.12 2ppf s PRO 254 Cb 0.05 -2.00 0.07 0.00 0.02 0.00 0.00 34.50 32.64 2ppf s PRO 254 CO -0.19 -1.16 0.49 -1.58 -0.33 0.00 0.00 177.00 174.23 2ppf s HIS 255 N -1.55 -0.78 -0.54 6.54 2.46 -0.15 -1.86 115.29 119.42 2ppf s HIS 255 Ca 0.76 1.58 -0.19 0.00 0.47 0.00 0.00 55.06 57.68 2ppf s HIS 255 Cb -0.31 0.39 0.07 0.00 -0.13 0.00 0.00 32.58 32.60 2ppf s HIS 255 CO 0.35 -0.42 0.66 -1.17 -2.47 0.00 0.00 174.74 171.68 2ppf s LEU 256 N 1.66 5.11 -0.21 8.88 2.96 -1.26 -1.23 118.68 134.59 2ppf s LEU 256 Ca -0.09 -1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 52.43 2ppf s LEU 256 Cb -0.08 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 2ppf s LEU 256 CO -0.15 -0.98 1.52 -0.63 -1.32 0.00 0.00 176.35 174.80 2ppf s ILE 257 N 2.66 3.83 0.00 6.68 1.01 0.22 -1.00 121.20 134.60 2ppf s ILE 257 Ca 0.14 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2ppf s ILE 257 Cb -0.21 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2ppf s ILE 257 CO 0.10 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.36 2ppf n GLY 258 N 4.43 0.68 0.00 6.18 0.00 -1.26 -3.25 105.19 111.97 2ppf n GLY 258 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ppf n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 259 N -1.69 5.78 3.53 -0.02 0.00 -0.17 -5.01 105.19 107.61 2ppf n GLY 259 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 2ppf n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ppf s HIS 260 N 0.54 0.54 -0.52 1.61 0.09 -1.26 -4.73 115.29 111.57 2ppf s HIS 260 Ca 0.00 -0.87 -0.16 0.00 -0.00 0.00 0.00 55.06 54.03 2ppf s HIS 260 Cb 0.00 0.07 0.12 0.00 -0.00 0.00 0.00 32.58 32.76 2ppf s HIS 260 CO 0.00 -0.97 0.47 0.20 -0.00 0.00 0.00 174.74 174.44 2ppf s GLY 261 N -3.06 2.08 0.18 -2.22 0.00 -0.30 -4.74 107.32 99.26 2ppf s GLY 261 Ca 0.25 -2.44 -0.13 0.00 0.00 0.00 0.00 44.72 42.41 2ppf s GLY 261 CO 0.11 1.16 1.83 -0.55 0.00 0.00 0.00 173.10 175.65 2ppf h ASP 262 N 8.85 0.70 -3.43 1.64 3.32 -1.49 0.12 116.42 126.13 2ppf h ASP 262 Ca -0.29 -0.05 -0.48 0.00 0.02 0.00 0.00 57.03 56.23 2ppf h ASP 262 Cb 1.10 -0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.14 2ppf h ASP 262 CO 1.00 0.54 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.95 2ppf s TYR 263 N -6.04 1.22 -0.12 4.55 1.51 -0.95 -1.82 117.35 115.70 2ppf s TYR 263 Ca -0.13 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 2ppf s TYR 263 Cb 0.13 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 41.07 2ppf s TYR 263 CO 0.76 -0.25 -0.06 0.08 -1.11 0.00 0.00 175.55 174.97 2ppf s VAL 264 N 0.77 0.91 -1.15 0.71 1.01 0.83 -0.29 120.40 123.19 2ppf s VAL 264 Ca -0.13 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 2ppf s VAL 264 Cb -0.15 -0.99 0.13 0.00 0.00 0.00 0.00 36.38 35.37 2ppf s VAL 264 CO 0.02 0.30 1.43 0.26 0.00 0.00 0.00 175.10 177.11 2ppf s TRP 265 N 1.75 3.19 0.37 5.22 0.51 0.16 -0.74 118.94 129.40 2ppf s TRP 265 Ca 0.04 -1.77 0.07 0.00 -2.12 0.00 0.00 56.10 52.33 2ppf s TRP 265 Cb -0.13 -4.43 0.71 0.00 -0.81 0.00 0.00 33.47 28.81 2ppf s TRP 265 CO -0.08 -1.54 1.91 0.00 -0.51 0.00 0.00 176.95 176.72 2ppf h ALA 266 N 7.82 1.46 0.00 0.98 0.00 -1.90 0.68 119.26 128.30 2ppf h ALA 266 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ppf h ALA 266 Cb 0.92 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ppf h ALA 266 CO 1.27 0.38 -0.12 0.25 0.00 0.00 0.00 179.25 181.04 2ppf n THR 267 N -4.29 0.05 -0.89 0.00 -2.24 -1.26 -4.53 114.28 101.12 2ppf n THR 267 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2ppf n THR 267 Cb 0.25 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2ppf n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ppf n GLY 268 N 1.48 0.85 3.38 3.38 0.00 0.20 -4.74 105.19 109.74 2ppf n GLY 268 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2ppf n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppf s LYS 269 N -0.11 3.52 0.46 1.61 -0.14 -1.26 -0.06 119.74 123.76 2ppf s LYS 269 Ca 0.00 -0.55 0.30 0.00 -1.36 0.00 0.00 55.97 54.36 2ppf s LYS 269 Cb 0.00 -3.14 1.10 0.00 -1.68 0.00 0.00 37.83 34.11 2ppf s LYS 269 CO 0.00 -0.16 1.86 0.74 -0.76 0.00 0.00 175.35 177.03 2ppf h PHE 270 N 8.07 0.00 -0.00 3.18 0.05 -1.81 -1.78 116.94 124.65 2ppf h PHE 270 Ca -0.39 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.40 2ppf h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 2ppf h PHE 270 CO 0.62 0.00 -0.07 0.09 -0.18 0.00 0.00 178.31 178.77 2ppf n ASN 271 N -2.89 0.19 -4.59 2.17 3.02 -1.26 -4.61 115.26 107.29 2ppf n ASN 271 Ca 0.02 -0.17 -0.40 0.00 -0.03 0.00 0.00 54.58 53.99 2ppf n ASN 271 Cb 0.33 -0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 2ppf n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ppf s THR 272 N -2.65 5.11 0.43 3.41 2.01 -0.67 -5.05 115.64 118.22 2ppf s THR 272 Ca 0.25 0.53 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 2ppf s THR 272 Cb 0.20 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 2ppf s THR 272 CO 0.50 0.02 1.27 -2.65 -0.69 0.00 0.00 174.62 173.07 2ppf n PRO 273 N 5.49 1.92 -2.43 4.92 -0.02 -1.26 -4.83 135.00 138.78 2ppf n PRO 273 Ca -0.07 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 2ppf n PRO 273 Cb 0.50 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2ppf n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ppf s PRO 274 N -2.23 3.77 0.70 0.52 0.04 -1.26 -4.93 135.00 131.60 2ppf s PRO 274 Ca 0.61 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 2ppf s PRO 274 Cb -0.50 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2ppf s PRO 274 CO 0.58 -0.49 1.08 -0.51 0.04 0.00 0.00 177.00 177.70 2ppf s ASP 275 N -1.73 5.11 0.13 6.66 1.01 0.08 -4.77 116.67 123.17 2ppf s ASP 275 Ca 0.66 1.78 0.07 0.00 0.71 0.00 0.00 52.55 55.76 2ppf s ASP 275 Cb -0.21 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 2ppf s ASP 275 CO 0.26 -1.62 -0.16 0.68 0.21 0.00 0.00 175.17 174.53 2ppf s VAL 276 N -2.79 1.53 -1.58 -1.27 -7.23 -1.26 -0.12 120.40 107.68 2ppf s VAL 276 Ca 0.61 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2ppf s VAL 276 Cb -0.16 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2ppf s VAL 276 CO 0.50 -0.35 0.48 0.47 -0.31 0.00 0.00 175.10 175.89 2ppf n ASP 277 N 0.50 -6.03 -4.76 4.85 10.43 -0.76 -4.92 116.55 115.87 2ppf n ASP 277 Ca -0.15 -0.23 -0.40 0.00 2.57 0.00 0.00 54.79 56.58 2ppf n ASP 277 Cb 0.57 -4.88 -0.04 0.00 1.84 0.00 0.00 41.12 38.61 2ppf n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2ppf s GLN 278 N -5.55 4.58 -0.18 -1.24 -1.52 0.02 -4.84 119.66 110.93 2ppf s GLN 278 Ca 0.24 1.88 -0.22 0.00 -1.95 0.00 0.00 55.36 55.30 2ppf s GLN 278 Cb -0.10 -3.18 -0.21 0.00 -0.22 0.00 0.00 33.01 29.30 2ppf s GLN 278 CO 0.29 0.12 0.36 1.05 -0.25 0.00 0.00 175.29 176.86 2ppf h GLU 279 N 3.89 0.03 -3.27 2.91 4.11 -1.91 -0.78 114.58 119.55 2ppf h GLU 279 Ca -0.47 -0.04 -0.27 0.00 0.07 0.00 0.00 59.36 58.65 2ppf h GLU 279 Cb 1.21 0.02 -0.33 0.00 0.50 0.00 0.00 28.75 30.15 2ppf h GLU 279 CO 0.67 1.02 -0.64 0.99 0.07 0.00 0.00 179.01 181.13 2ppf s THR 280 N -2.35 -0.10 0.46 -1.06 2.01 -1.26 -4.32 115.64 109.03 2ppf s THR 280 Ca -0.26 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.04 2ppf s THR 280 Cb 0.04 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 2ppf s THR 280 CO 0.63 0.10 0.35 -1.66 -0.69 0.00 0.00 174.62 173.35 2ppf s TRP 281 N 1.43 2.32 -0.06 4.92 -2.14 -0.78 -4.98 118.94 119.65 2ppf s TRP 281 Ca -0.06 -0.63 0.01 0.00 2.66 0.00 0.00 56.10 58.08 2ppf s TRP 281 Cb -0.12 -2.05 0.02 0.00 -3.10 0.00 0.00 33.47 28.22 2ppf s TRP 281 CO -0.05 -0.19 -0.06 0.12 -2.66 0.00 0.00 176.95 174.11 2ppf s PHE 282 N -2.60 0.96 -0.20 1.66 5.36 -1.26 -2.53 117.98 119.38 2ppf s PHE 282 Ca 0.43 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 2ppf s PHE 282 Cb -0.01 -0.84 0.04 0.00 -0.34 0.00 0.00 43.02 41.87 2ppf s PHE 282 CO 0.25 -0.27 -0.12 0.42 -1.46 0.00 0.00 175.22 174.03 2ppf s ILE 283 N 1.14 1.76 0.52 3.12 1.01 -0.44 -4.73 121.20 123.56 2ppf s ILE 283 Ca -0.07 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 2ppf s ILE 283 Cb -0.14 -1.77 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 2ppf s ILE 283 CO -0.01 0.24 1.07 -2.16 0.00 0.00 0.00 174.94 174.09 2ppf s PRO 284 N 1.36 3.58 0.20 2.79 0.04 -1.26 -1.10 135.00 140.61 2ppf s PRO 284 Ca -0.00 1.44 -0.32 0.00 0.04 0.00 0.00 61.00 62.16 2ppf s PRO 284 Cb -0.16 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.18 2ppf s PRO 284 CO -0.09 -0.63 1.20 0.41 0.04 0.00 0.00 177.00 177.94 2ppf n GLY 285 N -0.16 0.19 0.75 0.56 0.00 -1.23 -2.09 105.19 103.22 2ppf n GLY 285 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2ppf n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 286 N 1.96 0.78 3.25 -0.02 0.00 0.82 -4.74 105.19 107.25 2ppf n GLY 286 Ca 0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2ppf n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf s ALA 287 N -2.00 0.41 0.20 4.61 0.00 -0.89 -4.76 121.76 119.33 2ppf s ALA 287 Ca 0.00 -1.16 0.11 0.00 0.00 0.00 0.00 51.96 50.91 2ppf s ALA 287 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2ppf s ALA 287 CO 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 175.76 174.98 2ppf s ALA 288 N -4.01 2.64 0.20 0.00 0.00 -1.26 -1.68 121.76 117.65 2ppf s ALA 288 Ca 0.21 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2ppf s ALA 288 Cb 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2ppf s ALA 288 CO 0.01 0.42 0.07 0.20 0.00 0.00 0.00 175.76 176.46 2ppf s GLY 289 N -2.81 1.37 -0.08 0.00 0.00 -0.00 -3.18 107.32 102.63 2ppf s GLY 289 Ca 0.23 -1.67 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 2ppf s GLY 289 CO 0.11 -1.48 0.20 0.00 0.00 0.00 0.00 173.10 171.93 2ppf s ALA 290 N -3.90 -0.47 -0.01 3.20 0.00 -0.99 -1.27 121.76 118.32 2ppf s ALA 290 Ca 0.32 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.95 2ppf s ALA 290 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2ppf s ALA 290 CO 0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 175.76 175.52 2ppf s ALA 291 N 0.31 1.75 -0.13 0.00 0.00 -0.61 -0.67 121.76 122.41 2ppf s ALA 291 Ca -0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2ppf s ALA 291 Cb -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2ppf s ALA 291 CO -0.01 0.43 -0.11 0.12 0.00 0.00 0.00 175.76 176.18 2ppf s PHE 292 N -0.51 2.86 -0.04 0.00 2.19 0.60 -0.47 117.98 122.62 2ppf s PHE 292 Ca 0.08 -0.56 -0.04 0.00 0.33 0.00 0.00 56.93 56.74 2ppf s PHE 292 Cb -0.08 -1.86 0.01 0.00 -1.31 0.00 0.00 43.02 39.77 2ppf s PHE 292 CO -0.01 -0.16 0.11 -0.47 1.83 0.00 0.00 175.22 176.52 2ppf s TYR 293 N 0.33 -0.10 -0.30 10.12 5.04 -0.42 -1.31 117.35 130.71 2ppf s TYR 293 Ca -0.09 0.24 -0.10 0.00 -2.44 0.00 0.00 57.07 54.68 2ppf s TYR 293 Cb -0.15 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.16 2ppf s TYR 293 CO 0.05 -0.08 0.16 0.99 -1.34 0.00 0.00 175.55 175.33 2ppf s THR 294 N -0.09 4.85 0.27 4.34 2.01 -1.26 -0.61 115.64 125.16 2ppf s THR 294 Ca -0.01 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 2ppf s THR 294 Cb -0.02 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 2ppf s THR 294 CO 0.00 0.15 1.38 -0.36 -0.69 0.00 0.00 174.62 175.11 2ppf s PHE 295 N 1.67 3.04 0.00 4.92 0.40 -0.60 -4.89 117.98 122.52 2ppf s PHE 295 Ca 0.06 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 2ppf s PHE 295 Cb -0.16 -3.76 0.00 0.00 0.51 0.00 0.00 43.02 39.61 2ppf s PHE 295 CO 0.08 -2.32 0.00 1.04 0.70 0.00 0.00 175.22 174.72 2ppf n GLN 296 N 1.80 5.53 -4.26 0.44 6.02 -1.26 -0.46 117.38 125.19 2ppf n GLN 296 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.86 2ppf n GLN 296 Cb 0.41 -0.47 -0.13 0.00 1.02 0.00 0.00 30.24 31.07 2ppf n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2ppf s GLN 297 N -0.93 0.69 0.81 -1.09 -1.52 -1.26 -4.58 119.66 111.78 2ppf s GLN 297 Ca 0.00 -0.52 -0.12 0.00 -1.95 0.00 0.00 55.36 52.77 2ppf s GLN 297 Cb 0.00 -0.63 0.09 0.00 -0.22 0.00 0.00 33.01 32.25 2ppf s GLN 297 CO 0.00 0.16 1.17 -1.25 -0.25 0.00 0.00 175.29 175.12 2ppf s PRO 298 N -0.77 1.89 0.00 2.91 0.04 -1.26 -4.76 135.00 133.04 2ppf s PRO 298 Ca -0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.06 2ppf s PRO 298 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ppf s PRO 298 CO 0.00 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.83 2ppf n GLY 299 N -3.31 0.31 3.74 0.56 0.00 0.69 -4.94 105.19 102.24 2ppf n GLY 299 Ca 0.09 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 2ppf n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppf s ILE 300 N -0.17 5.00 0.08 -0.61 1.01 -1.26 -0.92 121.20 124.32 2ppf s ILE 300 Ca 0.00 1.25 0.08 0.00 0.00 0.00 0.00 60.65 61.98 2ppf s ILE 300 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2ppf s ILE 300 CO 0.00 0.35 -0.18 -0.31 0.00 0.00 0.00 174.94 174.81 2ppf s TYR 301 N 0.24 2.56 -0.10 3.97 1.51 -0.14 -4.98 117.35 120.40 2ppf s TYR 301 Ca 0.32 -0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 56.10 2ppf s TYR 301 Cb -0.18 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 2ppf s TYR 301 CO 0.16 0.32 0.01 0.00 -1.11 0.00 0.00 175.55 174.94 2ppf s ALA 302 N -1.03 3.32 -0.21 3.71 0.00 -1.20 -0.85 121.76 125.49 2ppf s ALA 302 Ca 0.16 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 2ppf s ALA 302 Cb -0.11 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.47 2ppf s ALA 302 CO 0.08 0.53 -0.14 -0.47 0.00 0.00 0.00 175.76 175.76 2ppf s TYR 303 N -0.69 2.90 0.10 0.00 5.04 0.71 0.71 117.35 126.12 2ppf s TYR 303 Ca 0.11 -1.51 0.02 0.00 -2.44 0.00 0.00 57.07 53.26 2ppf s TYR 303 Cb -0.12 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 2ppf s TYR 303 CO 0.02 -0.74 -0.07 0.14 -1.34 0.00 0.00 175.55 173.56 2ppf s VAL 304 N 1.33 0.76 -0.19 3.14 -7.23 -0.37 -0.30 120.40 117.55 2ppf s VAL 304 Ca 0.04 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 2ppf s VAL 304 Cb -0.14 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 2ppf s VAL 304 CO -0.09 -0.83 1.25 0.21 -0.31 0.00 0.00 175.10 175.33 2ppf s ASN 305 N -2.99 6.92 -0.08 4.85 3.84 -1.02 -0.97 114.94 125.50 2ppf s ASN 305 Ca 0.11 1.60 0.02 0.00 0.21 0.00 0.00 52.86 54.81 2ppf s ASN 305 Cb 0.04 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 38.38 2ppf s ASN 305 CO -0.04 -0.79 0.96 1.57 -2.79 0.00 0.00 177.10 176.01 2ppf n HIS 306 N 6.71 0.58 -2.83 0.43 -0.00 0.60 -3.84 115.22 116.87 2ppf n HIS 306 Ca 0.14 -0.42 -0.43 0.00 -0.00 0.00 0.00 57.72 57.01 2ppf n HIS 306 Cb 0.45 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.99 30.12 2ppf n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2ppf s ASN 307 N 0.06 6.45 0.52 0.26 3.84 -1.26 -4.93 114.94 119.88 2ppf s ASN 307 Ca 0.13 -0.01 0.33 0.00 0.21 0.00 0.00 52.86 53.52 2ppf s ASN 307 Cb 0.10 -2.45 1.42 0.00 -0.55 0.00 0.00 41.25 39.78 2ppf s ASN 307 CO 0.03 -1.10 1.98 -0.07 -2.79 0.00 0.00 177.10 175.15 2ppf h LEU 308 N 10.69 0.00 -0.15 3.21 3.38 -1.99 0.05 115.31 130.49 2ppf h LEU 308 Ca -0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 2ppf h LEU 308 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2ppf h LEU 308 CO 1.04 0.00 -0.33 0.40 0.09 0.00 0.00 178.44 179.64 2ppf h ILE 309 N 0.00 1.36 -0.79 1.22 2.04 -1.91 -0.54 117.51 118.89 2ppf h ILE 309 Ca 0.00 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 2ppf h ILE 309 Cb 0.43 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 2ppf h ILE 309 CO 0.00 0.48 0.43 -0.33 0.00 0.00 0.00 178.15 178.73 2ppf h GLU 310 N 0.10 1.10 -0.07 2.37 5.08 -1.38 0.35 114.58 122.12 2ppf h GLU 310 Ca 0.00 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2ppf h GLU 310 Cb 0.93 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ppf h GLU 310 CO 0.07 0.80 -0.15 0.00 -1.00 0.00 0.00 179.01 178.73 2ppf h ALA 311 N 1.37 0.12 -0.00 3.43 0.00 -1.04 -1.19 119.26 121.95 2ppf h ALA 311 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ppf h ALA 311 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ppf h ALA 311 CO -0.05 0.03 -0.38 1.19 0.00 0.00 0.00 179.25 180.04 2ppf n PHE 312 N -4.59 0.00 -0.08 0.00 3.01 -0.22 -2.29 117.46 113.29 2ppf n PHE 312 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.28 2ppf n PHE 312 Cb 0.39 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.78 2ppf n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2ppf n GLU 313 N -1.03 0.65 -0.00 -1.08 -0.58 0.00 -4.81 120.64 113.80 2ppf n GLU 313 Ca 0.02 0.08 0.10 0.00 -0.42 0.00 0.00 57.16 56.94 2ppf n GLU 313 Cb 0.15 -1.32 -0.13 0.00 -0.57 0.00 0.00 31.44 29.57 2ppf n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ppf n LEU 314 N -2.89 0.79 0.00 -4.62 4.77 -0.56 -5.01 117.00 109.49 2ppf n LEU 314 Ca -0.27 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2ppf n LEU 314 Cb 0.82 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2ppf n LEU 314 CO 0.18 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2ppf n GLY 315 N 1.45 1.03 2.64 -0.72 0.00 -0.72 -1.05 105.19 107.82 2ppf n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2ppf n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf n ALA 316 N 0.00 6.19 -3.73 4.61 0.00 0.41 -4.23 120.51 123.76 2ppf n ALA 316 Ca 0.00 -4.11 -0.14 0.00 0.00 0.00 0.00 53.44 49.19 2ppf n ALA 316 Cb 0.00 -2.98 -0.14 0.00 0.00 0.00 0.00 19.45 16.32 2ppf n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppf s ALA 317 N 0.18 -0.31 0.34 0.00 0.00 -1.25 -2.44 121.76 118.28 2ppf s ALA 317 Ca 0.49 0.72 0.09 0.00 0.00 0.00 0.00 51.96 53.26 2ppf s ALA 317 Cb 0.14 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2ppf s ALA 317 CO -0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 175.76 175.39 2ppf s ALA 318 N 1.36 2.87 0.14 0.00 0.00 0.59 -4.50 121.76 122.23 2ppf s ALA 318 Ca -0.07 -2.07 0.11 0.00 0.00 0.00 0.00 51.96 49.93 2ppf s ALA 318 Cb -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2ppf s ALA 318 CO -0.06 0.06 -0.25 -1.01 0.00 0.00 0.00 175.76 174.49 2ppf s HIS 319 N -2.67 2.33 -0.04 0.00 3.76 -0.14 -0.21 115.29 118.32 2ppf s HIS 319 Ca 0.32 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2ppf s HIS 319 Cb 0.03 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.46 2ppf s HIS 319 CO 0.16 0.38 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.26 2ppf s PHE 320 N -1.22 2.77 -0.23 1.40 0.08 -0.03 -1.56 117.98 119.19 2ppf s PHE 320 Ca 0.16 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 2ppf s PHE 320 Cb -0.10 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2ppf s PHE 320 CO 0.07 0.25 -0.06 0.15 -0.10 0.00 0.00 175.22 175.54 2ppf s LYS 321 N -0.88 3.19 -0.12 0.44 1.02 0.28 -0.97 119.74 122.70 2ppf s LYS 321 Ca 0.13 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.41 2ppf s LYS 321 Cb -0.11 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2ppf s LYS 321 CO 0.02 -0.26 -0.22 0.08 -0.92 0.00 0.00 175.35 174.05 2ppf s VAL 322 N 1.42 2.11 0.43 3.17 1.01 -0.10 -2.38 120.40 126.07 2ppf s VAL 322 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2ppf s VAL 322 Cb -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2ppf s VAL 322 CO -0.04 0.55 0.66 0.42 0.00 0.00 0.00 175.10 176.69 2ppf s THR 323 N 0.60 4.41 -2.57 3.92 -4.23 -0.77 -0.22 115.64 116.78 2ppf s THR 323 Ca -0.12 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2ppf s THR 323 Cb -0.17 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2ppf s THR 323 CO 0.03 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2ppf n GLY 324 N -2.04 0.71 3.76 3.99 0.00 -1.26 -1.04 105.19 109.30 2ppf n GLY 324 Ca -0.00 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 2ppf n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppf s GLU 325 N -1.02 4.23 0.25 1.61 2.12 -1.26 -4.64 118.70 119.99 2ppf s GLU 325 Ca 0.00 0.52 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 2ppf s GLU 325 Cb 0.00 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.94 2ppf s GLU 325 CO 0.00 0.37 1.33 -0.46 -0.54 0.00 0.00 175.26 175.96 2ppf s TRP 326 N -0.08 3.15 -0.50 5.30 -0.11 -1.26 -4.39 118.94 121.05 2ppf s TRP 326 Ca 0.27 1.24 -0.13 0.00 1.22 0.00 0.00 56.10 58.70 2ppf s TRP 326 Cb -0.16 -3.67 0.12 0.00 -1.50 0.00 0.00 33.47 28.26 2ppf s TRP 326 CO 0.13 -2.02 0.41 1.21 -4.62 0.00 0.00 176.95 172.06 2ppf s ASN 327 N 0.07 5.95 0.37 5.86 3.84 -1.26 -4.96 114.94 124.81 2ppf s ASN 327 Ca 0.55 -1.78 0.27 0.00 0.21 0.00 0.00 52.86 52.11 2ppf s ASN 327 Cb -0.39 -2.11 1.05 0.00 -0.55 0.00 0.00 41.25 39.25 2ppf s ASN 327 CO 0.44 -0.75 1.81 0.44 -2.79 0.00 0.00 177.10 176.24 2ppf h ASP 328 N 8.67 0.00 -0.06 -4.21 5.19 -1.95 -2.61 116.42 121.45 2ppf h ASP 328 Ca -0.26 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2ppf h ASP 328 Cb 1.09 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 2ppf h ASP 328 CO 0.93 0.00 -0.01 -0.78 -3.12 0.00 0.00 179.24 176.27 2ppf h ASP 329 N 0.00 0.11 -0.73 6.45 -0.00 -2.02 -3.21 116.42 117.03 2ppf h ASP 329 Ca 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 57.03 56.65 2ppf h ASP 329 Cb 0.50 -0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 39.77 2ppf h ASP 329 CO 0.00 0.43 0.31 -0.07 -0.00 0.00 0.00 179.24 179.91 2ppf h LEU 330 N -0.21 0.98 -7.00 2.28 3.38 -1.95 -3.45 115.31 109.35 2ppf h LEU 330 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2ppf h LEU 330 Cb 0.38 -0.25 -0.21 0.00 0.09 0.00 0.00 40.66 40.66 2ppf h LEU 330 CO 0.00 0.87 0.10 -0.32 0.09 0.00 0.00 178.44 179.18 2ppf s MET 331 N -5.61 0.76 -0.02 1.13 0.00 -1.00 -5.14 119.30 109.41 2ppf s MET 331 Ca -0.13 1.08 -0.14 0.00 0.00 0.00 0.00 55.69 56.50 2ppf s MET 331 Cb 0.15 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.27 2ppf s MET 331 CO 0.82 -0.12 0.29 -0.08 0.00 0.00 0.00 175.02 175.93 2ppf s THR 332 N 0.97 0.06 -0.60 10.11 -1.32 -1.25 -4.07 115.64 119.55 2ppf s THR 332 Ca -0.05 -0.48 -0.23 0.00 -1.21 0.00 0.00 61.69 59.73 2ppf s THR 332 Cb -0.05 -0.59 0.06 0.00 -1.51 0.00 0.00 72.50 70.41 2ppf s THR 332 CO -0.09 -0.27 0.90 -0.55 -2.21 0.00 0.00 174.62 172.41 2ppf s SER 333 N -1.29 6.24 0.13 8.08 0.15 -1.26 -4.91 113.70 120.85 2ppf s SER 333 Ca -0.13 -0.75 -0.12 0.00 0.70 0.00 0.00 55.95 55.65 2ppf s SER 333 Cb -0.05 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2ppf s SER 333 CO 0.04 -1.28 1.48 0.58 1.20 0.00 0.00 173.24 175.27 2ppf h VAL 334 N 5.97 1.28 -3.23 4.45 2.07 -2.02 -3.41 116.25 121.38 2ppf h VAL 334 Ca -0.28 -1.42 -0.47 0.00 0.82 0.00 0.00 66.70 65.35 2ppf h VAL 334 Cb 1.08 1.36 -0.39 0.00 -1.52 0.00 0.00 31.29 31.81 2ppf h VAL 334 CO 1.11 0.47 -0.76 -0.22 0.02 0.00 0.00 177.57 178.20 2ppf s LEU 335 N -9.02 0.75 0.65 2.57 2.96 -1.26 -5.14 118.68 110.19 2ppf s LEU 335 Ca -0.12 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.15 2ppf s LEU 335 Cb 0.10 -0.45 -0.00 0.00 0.50 0.00 0.00 46.19 46.35 2ppf s LEU 335 CO 0.85 -0.27 1.15 0.00 -1.32 0.00 0.00 176.35 176.76 2ppf s ALA 336 N 1.97 2.42 -0.38 5.97 0.00 -1.26 -4.86 121.76 125.62 2ppf s ALA 336 Ca 0.02 0.75 -0.45 0.00 0.00 0.00 0.00 51.96 52.29 2ppf s ALA 336 Cb -0.15 -3.39 -0.19 0.00 0.00 0.00 0.00 23.12 19.39 2ppf s ALA 336 CO -0.07 -1.35 1.56 -2.30 0.00 0.00 0.00 175.76 173.60 2ppf n PRO 337 N -2.20 0.25 -3.48 0.00 -0.02 -1.26 -4.92 135.00 123.37 2ppf n PRO 337 Ca 0.12 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.57 2ppf n PRO 337 Cb 0.51 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 2ppf n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2ppf s SER 338 N 2.67 -0.48 0.00 2.55 1.04 -1.26 -5.29 113.70 112.92 2ppf s SER 338 Ca 1.01 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2ppf s SER 338 Cb -1.37 0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2ppf s SER 338 CO 0.75 -0.93 0.46 0.61 0.98 0.00 0.00 173.24 175.11