#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pda n ASN 4 N 0.00 2.90 -4.40 1.67 6.94 -1.26 -5.01 115.26 116.10 1pda n ASN 4 Ca 0.00 -3.01 -0.32 0.00 -0.02 0.00 0.00 54.58 51.23 1pda n ASN 4 Cb 0.00 -0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 36.82 1pda n ASN 4 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1pda s VAL 5 N -2.77 2.59 -0.12 3.53 1.01 -1.26 -1.57 120.40 121.81 1pda s VAL 5 Ca 0.35 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1pda s VAL 5 Cb 0.29 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1pda s VAL 5 CO 0.05 0.56 -0.11 -0.22 0.00 0.00 0.00 175.10 175.39 1pda s LEU 6 N -0.75 1.43 -0.23 3.92 2.96 -0.50 -4.98 118.68 120.53 1pda s LEU 6 Ca 0.11 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1pda s LEU 6 Cb -0.10 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1pda s LEU 6 CO 0.00 -0.08 0.12 -0.13 -1.32 0.00 0.00 176.35 174.95 1pda s ARG 7 N 1.49 3.99 -0.35 1.98 0.52 -1.26 -1.55 118.95 123.78 1pda s ARG 7 Ca 0.02 -0.32 -0.15 0.00 -0.52 0.00 0.00 55.73 54.77 1pda s ARG 7 Cb -0.13 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 1pda s ARG 7 CO -0.08 0.08 0.34 0.42 0.02 0.00 0.00 175.30 176.09 1pda s ILE 8 N 0.95 5.19 -0.03 1.52 1.01 0.67 -0.50 121.20 130.01 1pda s ILE 8 Ca 0.06 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.47 1pda s ILE 8 Cb -0.13 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1pda s ILE 8 CO 0.03 -0.09 0.62 0.00 0.00 0.00 0.00 174.94 175.50 1pda s ALA 9 N 1.96 3.43 0.05 9.38 0.00 0.09 -0.17 121.76 136.51 1pda s ALA 9 Ca 0.11 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 1pda s ALA 9 Cb -0.17 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.18 1pda s ALA 9 CO 0.11 0.06 0.41 -0.08 0.00 0.00 0.00 175.76 176.26 1pda s THR 10 N 0.22 0.06 1.06 0.00 -1.32 -1.02 -1.79 115.64 112.85 1pda s THR 10 Ca 0.33 -0.47 -0.13 0.00 -1.21 0.00 0.00 61.69 60.21 1pda s THR 10 Cb -0.18 -0.98 0.22 0.00 -1.51 0.00 0.00 72.50 70.05 1pda s THR 10 CO 0.17 -0.26 1.08 -0.13 -2.21 0.00 0.00 174.62 173.27 1pda s ARG 11 N -2.64 -0.06 -0.06 7.08 0.52 -1.26 -0.49 118.95 122.04 1pda s ARG 11 Ca -0.04 0.55 0.13 0.00 -0.52 0.00 0.00 55.73 55.84 1pda s ARG 11 Cb -0.00 -1.68 0.38 0.00 0.52 0.00 0.00 34.95 34.17 1pda s ARG 11 CO -0.04 -3.07 1.31 1.04 0.02 0.00 0.00 175.30 174.56 1pda n GLN 12 N -4.42 2.89 -1.81 3.54 6.02 -1.24 -4.18 117.38 118.18 1pda n GLN 12 Ca 0.04 -2.32 -0.30 0.00 -0.01 0.00 0.00 57.00 54.41 1pda n GLN 12 Cb 0.57 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 30.42 1pda n GLN 12 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pda s SER 13 N -1.34 5.15 0.24 1.08 1.04 -1.26 -4.81 113.70 113.80 1pda s SER 13 Ca 0.29 1.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.81 1pda s SER 13 Cb 0.20 -1.89 0.39 0.00 0.10 0.00 0.00 66.02 64.81 1pda s SER 13 CO 0.13 -1.53 1.79 -0.65 0.98 0.00 0.00 173.24 173.96 1pda h PRO 14 N -0.79 0.68 -0.38 4.02 0.11 -1.99 -1.07 132.00 132.59 1pda h PRO 14 Ca -0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1pda h PRO 14 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1pda h PRO 14 CO 0.63 0.45 -0.22 1.25 -0.21 0.00 0.00 178.00 179.90 1pda h LEU 15 N 0.70 0.84 -0.97 2.35 5.85 -1.96 -1.40 115.31 120.72 1pda h LEU 15 Ca 0.39 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pda h LEU 15 Cb 0.40 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1pda h LEU 15 CO -0.27 1.08 0.63 0.00 -0.34 0.00 0.00 178.44 179.54 1pda h ALA 16 N 0.79 1.23 -0.05 1.25 0.00 -1.75 -1.78 119.26 118.95 1pda h ALA 16 Ca 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1pda h ALA 16 Cb 0.78 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1pda h ALA 16 CO 0.06 0.63 -0.56 -0.07 0.00 0.00 0.00 179.25 179.31 1pda h LEU 17 N 1.32 0.16 -0.13 0.00 3.38 -1.07 -1.77 115.31 117.20 1pda h LEU 17 Ca 0.35 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1pda h LEU 17 Cb -0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1pda h LEU 17 CO -0.08 0.69 0.07 -0.25 0.09 0.00 0.00 178.44 178.97 1pda h TRP 18 N 0.11 0.18 -0.92 1.13 7.01 -0.76 -1.24 115.95 121.46 1pda h TRP 18 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1pda h TRP 18 Cb 1.03 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.97 1pda h TRP 18 CO 0.01 0.18 0.59 1.96 -2.79 0.00 0.00 178.44 178.39 1pda h GLN 19 N 0.12 1.07 -0.57 2.65 4.20 -0.98 -0.54 115.11 121.06 1pda h GLN 19 Ca 0.05 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1pda h GLN 19 Cb 0.06 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1pda h GLN 19 CO -0.01 0.71 0.15 0.00 -0.67 0.00 0.00 178.83 179.01 1pda h ALA 20 N 1.40 0.75 -0.58 3.87 0.00 -1.15 -2.28 119.26 121.28 1pda h ALA 20 Ca 0.38 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1pda h ALA 20 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1pda h ALA 20 CO -0.15 0.44 -0.03 0.45 0.00 0.00 0.00 179.25 179.96 1pda h HIS 21 N 0.81 1.13 -0.60 0.00 3.86 -0.89 0.91 115.15 120.38 1pda h HIS 21 Ca 0.18 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1pda h HIS 21 Cb 0.33 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1pda h HIS 21 CO 0.02 1.02 0.32 -0.92 0.86 0.00 0.00 177.93 179.23 1pda h TYR 22 N 0.94 0.83 -0.16 2.45 3.20 -0.82 -0.96 116.97 122.46 1pda h TYR 22 Ca 0.16 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1pda h TYR 22 Cb 0.59 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1pda h TYR 22 CO 0.04 0.61 0.04 0.28 -1.64 0.00 0.00 178.16 177.48 1pda h VAL 23 N 0.81 1.21 -0.37 1.81 2.07 -1.27 -2.45 116.25 118.05 1pda h VAL 23 Ca 0.21 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1pda h VAL 23 Cb 0.06 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1pda h VAL 23 CO -0.03 0.20 0.17 0.50 0.02 0.00 0.00 177.57 178.43 1pda h LYS 24 N 0.06 0.34 -0.74 1.57 3.64 -0.54 -0.82 116.57 120.09 1pda h LYS 24 Ca 0.05 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1pda h LYS 24 Cb 0.27 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1pda h LYS 24 CO 0.00 0.23 0.45 -0.44 -2.27 0.00 0.00 179.45 177.42 1pda h ASP 25 N 0.35 0.72 -0.38 4.20 3.32 -1.12 -1.42 116.42 122.10 1pda h ASP 25 Ca 0.16 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1pda h ASP 25 Cb 0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1pda h ASP 25 CO -0.12 0.48 0.01 0.11 -1.72 0.00 0.00 179.24 178.00 1pda h LYS 26 N 0.86 0.66 -0.80 3.56 1.79 -1.20 -0.12 116.57 121.30 1pda h LYS 26 Ca 0.31 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1pda h LYS 26 Cb 0.09 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1pda h LYS 26 CO -0.14 0.75 0.36 -0.07 -1.08 0.00 0.00 179.45 179.27 1pda h LEU 27 N 0.48 1.07 -0.40 2.94 3.38 -0.85 -2.34 115.31 119.60 1pda h LEU 27 Ca 0.11 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1pda h LEU 27 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pda h LEU 27 CO 0.02 0.91 -0.73 0.24 0.09 0.00 0.00 178.44 178.97 1pda h MET 28 N 1.15 0.42 -0.68 1.13 2.86 -1.08 -0.84 114.93 117.89 1pda h MET 28 Ca 0.27 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1pda h MET 28 Cb 0.15 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1pda h MET 28 CO -0.03 0.98 0.14 0.00 1.06 0.00 0.00 176.91 179.06 1pda h ALA 29 N 0.92 0.96 0.00 6.32 0.00 -0.80 -2.97 119.26 123.69 1pda h ALA 29 Ca -0.03 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1pda h ALA 29 Cb 1.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1pda h ALA 29 CO 0.13 0.66 -0.93 0.77 0.00 0.00 0.00 179.25 179.87 1pda h SER 30 N 1.03 0.00 -2.51 0.00 0.02 -1.25 -3.41 113.55 107.44 1pda h SER 30 Ca 0.21 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.56 1pda h SER 30 Cb 0.40 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.55 1pda h SER 30 CO 0.01 0.93 -0.89 1.41 -1.14 0.00 0.00 176.83 177.15 1pda n HIS 31 N -3.39 0.02 0.19 3.45 -0.00 -0.34 -4.99 115.22 110.16 1pda n HIS 31 Ca -0.00 -3.53 0.06 0.00 -0.00 0.00 0.00 57.72 54.24 1pda n HIS 31 Cb 0.89 0.05 0.28 0.00 -0.00 0.00 0.00 29.99 31.21 1pda n HIS 31 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pda n PRO 32 N 2.60 0.06 -0.29 -0.41 -0.04 -1.13 -1.93 135.00 133.86 1pda n PRO 32 Ca 0.28 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.33 1pda n PRO 32 Cb 0.45 -1.67 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 1pda n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pda n GLY 33 N -0.95 2.01 3.82 0.55 0.00 -1.26 -4.94 105.19 104.41 1pda n GLY 33 Ca 0.01 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1pda n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pda s LEU 34 N -1.18 4.16 -0.29 0.99 2.96 -0.81 -4.98 118.68 119.54 1pda s LEU 34 Ca 0.44 1.53 -0.07 0.00 -0.22 0.00 0.00 54.13 55.81 1pda s LEU 34 Cb 0.24 -4.05 0.01 0.00 0.50 0.00 0.00 46.19 42.88 1pda s LEU 34 CO 0.31 -0.15 0.07 -0.69 -1.32 0.00 0.00 176.35 174.58 1pda s VAL 35 N -1.83 3.96 -0.23 1.68 1.01 -0.61 -4.97 120.40 119.42 1pda s VAL 35 Ca 0.52 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1pda s VAL 35 Cb -0.13 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1pda s VAL 35 CO 0.19 0.11 0.13 -0.69 0.00 0.00 0.00 175.10 174.84 1pda s VAL 36 N 1.51 5.17 0.07 2.92 1.01 -1.26 -1.41 120.40 128.40 1pda s VAL 36 Ca 0.03 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1pda s VAL 36 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1pda s VAL 36 CO 0.02 0.37 -0.12 -1.61 0.00 0.00 0.00 175.10 173.77 1pda s GLU 37 N 0.91 2.19 -0.15 2.72 2.02 -0.59 -4.98 118.70 120.82 1pda s GLU 37 Ca 0.07 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 1pda s GLU 37 Cb -0.13 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1pda s GLU 37 CO 0.03 0.53 0.07 -0.51 0.02 0.00 0.00 175.26 175.41 1pda s LEU 38 N -1.85 3.93 -0.62 1.80 1.43 -1.26 -0.23 118.68 121.87 1pda s LEU 38 Ca 0.19 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1pda s LEU 38 Cb -0.11 -1.97 0.16 0.00 0.03 0.00 0.00 46.19 44.31 1pda s LEU 38 CO 0.10 0.27 0.43 -0.69 0.23 0.00 0.00 176.35 176.69 1pda s VAL 39 N -0.21 2.34 0.30 -1.59 1.01 0.77 -4.90 120.40 118.12 1pda s VAL 39 Ca 0.08 -3.82 -0.29 0.00 0.00 0.00 0.00 61.98 57.96 1pda s VAL 39 Cb -0.12 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 1pda s VAL 39 CO 0.01 -1.02 1.14 -2.16 0.00 0.00 0.00 175.10 173.08 1pda s PRO 40 N -0.99 4.53 -0.01 2.72 0.05 -1.26 -2.43 135.00 137.62 1pda s PRO 40 Ca 0.25 1.88 -0.18 0.00 0.05 0.00 0.00 61.00 63.00 1pda s PRO 40 Cb -0.06 -3.11 0.03 0.00 0.05 0.00 0.00 34.50 31.41 1pda s PRO 40 CO -0.15 0.08 0.39 0.00 0.05 0.00 0.00 177.00 177.38 1pda s MET 41 N -1.61 0.79 0.54 4.56 0.23 0.35 -4.92 119.30 119.24 1pda s MET 41 Ca 0.47 -0.15 -0.11 0.00 -1.03 0.00 0.00 55.69 54.87 1pda s MET 41 Cb -0.33 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 33.27 1pda s MET 41 CO 0.43 -0.23 0.93 0.14 -2.03 0.00 0.00 175.02 174.26 1pda s VAL 42 N -1.53 4.73 0.22 5.16 -7.23 -1.26 -3.69 120.40 116.80 1pda s VAL 42 Ca -0.11 0.75 0.09 0.00 -1.81 0.00 0.00 61.98 60.90 1pda s VAL 42 Cb -0.03 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 1pda s VAL 42 CO 0.04 -0.92 -0.17 0.42 -0.31 0.00 0.00 175.10 174.16 1pda s THR 43 N -2.87 1.99 0.33 5.32 -4.23 -1.26 -4.80 115.64 110.12 1pda s THR 43 Ca 0.53 -2.21 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1pda s THR 43 Cb -0.11 -2.09 0.33 0.00 1.34 0.00 0.00 72.50 71.97 1pda s THR 43 CO 0.45 -0.47 1.74 0.08 -0.54 0.00 0.00 174.62 175.87 1pda h ARG 44 N 2.62 0.54 -0.46 3.99 -0.00 -1.92 0.80 114.38 119.95 1pda h ARG 44 Ca -0.40 -0.03 0.11 0.00 -0.00 0.00 0.00 59.98 59.66 1pda h ARG 44 Cb 1.23 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.97 31.05 1pda h ARG 44 CO 0.59 0.36 0.32 0.78 -0.00 0.00 0.00 179.97 182.02 1pda h GLY 45 N 0.56 0.20 2.00 0.08 0.00 -1.16 -0.21 103.07 104.54 1pda h GLY 45 Ca 0.64 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.75 1pda h GLY 45 CO -0.44 0.03 -0.74 -0.55 0.00 0.00 0.00 176.54 174.84 1pda h ASP 46 N 0.14 0.00 0.06 0.19 3.32 0.37 -3.35 116.42 117.15 1pda h ASP 46 Ca 0.22 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1pda h ASP 46 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pda h ASP 46 CO -0.03 0.74 -0.03 -0.37 -1.72 0.00 0.00 179.24 177.84 1pda h VAL 47 N 0.00 0.54 0.00 -1.35 -1.51 -0.84 -3.49 116.25 109.60 1pda h VAL 47 Ca -0.01 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 1pda h VAL 47 Cb 1.46 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1pda h VAL 47 CO 0.10 0.17 0.00 0.00 -1.23 0.00 0.00 177.57 176.61 1pda n ILE 48 N -4.79 0.00 0.00 7.19 3.06 -0.97 -5.14 119.36 118.72 1pda n ILE 48 Ca -0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1pda n ILE 48 Cb 0.17 -0.35 0.00 0.00 0.54 0.00 0.00 39.64 40.00 1pda n ILE 48 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1pda n GLY 58 N 2.72 0.00 0.00 4.50 0.00 -1.26 -5.01 105.19 106.15 1pda n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pda n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pda n LYS 59 N 0.00 3.09 -2.29 1.61 3.00 -1.26 -4.80 118.16 117.50 1pda n LYS 59 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1pda n LYS 59 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1pda n LYS 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pda n GLY 60 N 5.00 0.57 0.34 3.14 0.00 -1.26 -4.78 105.19 108.20 1pda n GLY 60 Ca 0.00 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1pda n GLY 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pda h LEU 61 N -0.16 0.22 -1.76 0.99 5.85 -1.90 -1.33 115.31 117.22 1pda h LEU 61 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1pda h LEU 61 Cb 1.02 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1pda h LEU 61 CO 0.04 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.76 1pda n PHE 62 N -4.46 0.23 0.00 1.25 3.72 -1.26 -0.49 117.46 116.44 1pda n PHE 62 Ca 0.07 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1pda n PHE 62 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1pda n PHE 62 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1pda n VAL 63 N 1.02 0.00 -0.13 -4.37 0.24 -0.91 -4.91 118.33 109.26 1pda n VAL 63 Ca 0.17 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.43 1pda n VAL 63 Cb 0.51 0.11 0.03 0.00 -1.47 0.00 0.00 33.84 33.03 1pda n VAL 63 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pda h LYS 64 N 0.00 0.09 0.00 7.34 1.63 -1.52 -0.76 116.57 123.35 1pda h LYS 64 Ca 0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1pda h LYS 64 Cb 0.08 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1pda h LYS 64 CO 0.00 0.06 -0.18 0.93 -3.45 0.00 0.00 179.45 176.81 1pda h GLU 65 N 0.09 0.00 -0.47 1.90 3.07 -1.87 -1.80 114.58 115.50 1pda h GLU 65 Ca 0.21 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1pda h GLU 65 Cb 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1pda h GLU 65 CO -0.36 0.18 0.05 -0.07 -1.40 0.00 0.00 179.01 177.40 1pda h LEU 66 N 0.00 0.77 -0.88 1.33 3.38 -1.62 -2.12 115.31 116.17 1pda h LEU 66 Ca -0.00 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1pda h LEU 66 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pda h LEU 66 CO 0.02 0.85 -0.26 -0.33 0.09 0.00 0.00 178.44 178.81 1pda h GLU 67 N 0.66 0.53 -1.00 1.13 5.08 -0.44 -2.52 114.58 118.01 1pda h GLU 67 Ca 0.14 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1pda h GLU 67 Cb 0.43 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1pda h GLU 67 CO 0.01 0.74 0.66 0.28 -1.00 0.00 0.00 179.01 179.71 1pda h VAL 68 N 0.46 1.24 -0.52 3.13 2.07 -1.13 -1.62 116.25 119.88 1pda h VAL 68 Ca 0.06 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1pda h VAL 68 Cb 0.70 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1pda h VAL 68 CO 0.05 0.25 0.26 0.00 0.02 0.00 0.00 177.57 178.14 1pda h ALA 69 N 1.38 0.67 -0.58 1.67 0.00 -1.07 -0.69 119.26 120.63 1pda h ALA 69 Ca 0.37 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1pda h ALA 69 Cb -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pda h ALA 69 CO -0.09 -0.10 -0.03 -0.07 0.00 0.00 0.00 179.25 178.97 1pda h LEU 70 N 0.49 1.03 -1.15 0.00 3.38 -0.97 0.16 115.31 118.25 1pda h LEU 70 Ca 0.24 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1pda h LEU 70 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1pda h LEU 70 CO -0.18 1.10 -0.17 -0.07 0.09 0.00 0.00 178.44 179.21 1pda h LEU 71 N 0.94 0.38 -3.69 1.67 3.38 -0.75 -2.42 115.31 114.82 1pda h LEU 71 Ca 0.16 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1pda h LEU 71 Cb 0.59 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1pda h LEU 71 CO 0.04 0.57 0.20 -1.84 0.09 0.00 0.00 178.44 177.50 1pda n GLU 72 N -4.19 3.96 -3.37 1.13 0.28 -0.32 -4.95 120.64 113.18 1pda n GLU 72 Ca -0.00 -3.11 -0.24 0.00 -0.16 0.00 0.00 57.16 53.64 1pda n GLU 72 Cb 0.33 -2.22 0.02 0.00 1.43 0.00 0.00 31.44 31.01 1pda n GLU 72 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pda n ASN 73 N -0.01 -5.08 0.04 -1.84 2.85 -0.91 -4.89 115.26 105.42 1pda n ASN 73 Ca 0.38 -0.44 0.12 0.00 -0.11 0.00 0.00 54.58 54.52 1pda n ASN 73 Cb 1.34 -4.11 0.14 0.00 1.24 0.00 0.00 39.78 38.39 1pda n ASN 73 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1pda n ARG 74 N -4.15 0.25 -3.68 1.20 1.74 0.50 -4.95 116.66 107.57 1pda n ARG 74 Ca -0.04 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 1pda n ARG 74 Cb 0.57 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 1pda n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pda s ALA 75 N -3.15 -0.96 -0.16 7.54 0.00 -1.17 -4.98 121.76 118.88 1pda s ALA 75 Ca 0.06 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.97 1pda s ALA 75 Cb 0.14 0.80 -0.15 0.00 0.00 0.00 0.00 23.12 23.91 1pda s ALA 75 CO 0.74 -0.74 -0.06 -0.25 0.00 0.00 0.00 175.76 175.46 1pda n ASP 76 N -0.30 2.00 -4.10 0.00 8.00 0.35 -4.37 116.55 118.13 1pda n ASP 76 Ca -0.13 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.23 1pda n ASP 76 Cb 0.63 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.91 1pda n ASP 76 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1pda s ILE 77 N -2.36 0.44 -0.06 0.53 -4.36 -0.89 -4.33 121.20 110.17 1pda s ILE 77 Ca -0.16 -1.55 0.04 0.00 -0.26 0.00 0.00 60.65 58.72 1pda s ILE 77 Cb 0.05 -1.18 0.00 0.00 1.25 0.00 0.00 42.46 42.59 1pda s ILE 77 CO 0.51 -0.74 -0.18 0.00 0.24 0.00 0.00 174.94 174.77 1pda s ALA 78 N -2.86 1.67 -0.18 2.27 0.00 -0.12 -0.73 121.76 121.81 1pda s ALA 78 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 1pda s ALA 78 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1pda s ALA 78 CO -0.04 0.25 0.02 0.08 0.00 0.00 0.00 175.76 176.06 1pda s VAL 79 N 0.27 4.27 0.12 0.00 1.01 -0.74 -1.19 120.40 124.13 1pda s VAL 79 Ca -0.11 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1pda s VAL 79 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1pda s VAL 79 CO 0.04 0.45 -0.08 -1.00 0.00 0.00 0.00 175.10 174.52 1pda s HIS 80 N 0.63 1.03 0.04 5.22 3.76 -0.48 -4.67 115.29 120.82 1pda s HIS 80 Ca 0.01 -0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 53.76 1pda s HIS 80 Cb -0.14 -0.56 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 1pda s HIS 80 CO 0.02 -0.06 1.16 -1.12 -0.85 0.00 0.00 174.74 173.89 1pda s SER 81 N -3.06 7.13 0.45 1.40 0.01 -1.26 -1.09 113.70 117.28 1pda s SER 81 Ca 0.13 1.94 0.19 0.00 1.31 0.00 0.00 55.95 59.51 1pda s SER 81 Cb 0.04 -2.58 1.15 0.00 0.21 0.00 0.00 66.02 64.84 1pda s SER 81 CO -0.03 -0.44 1.93 0.24 0.41 0.00 0.00 173.24 175.35 1pda h MET 82 N 6.86 0.29 0.00 12.44 2.86 -1.31 -1.00 114.93 135.08 1pda h MET 82 Ca -0.41 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1pda h MET 82 Cb 1.21 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1pda h MET 82 CO 0.81 0.19 -0.00 1.57 1.06 0.00 0.00 176.91 180.54 1pda h LYS 83 N 0.30 0.00 -0.00 1.72 2.10 -1.73 -2.46 116.57 116.51 1pda h LYS 83 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1pda h LYS 83 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1pda h LYS 83 CO -0.09 0.00 -0.33 -0.25 -2.00 0.00 0.00 179.45 176.78 1pda n ASP 84 N -3.10 0.44 -4.71 7.07 8.00 -0.38 -4.65 116.55 119.21 1pda n ASP 84 Ca -0.00 -0.18 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 1pda n ASP 84 Cb 0.25 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1pda n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pda s VAL 85 N -2.90 4.55 0.85 2.53 1.01 -0.93 -4.75 120.40 120.76 1pda s VAL 85 Ca 0.15 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.85 1pda s VAL 85 Cb 0.18 -4.18 0.10 0.00 0.00 0.00 0.00 36.38 32.48 1pda s VAL 85 CO 0.62 0.15 1.11 -2.16 0.00 0.00 0.00 175.10 174.82 1pda s PRO 86 N 0.98 1.65 0.00 2.72 0.04 -1.26 -4.96 135.00 134.18 1pda s PRO 86 Ca 0.54 0.54 0.27 0.00 0.04 0.00 0.00 61.00 62.39 1pda s PRO 86 Cb -0.24 -1.88 0.91 0.00 0.04 0.00 0.00 34.50 33.33 1pda s PRO 86 CO 0.29 -1.90 1.69 1.33 0.04 0.00 0.00 177.00 178.44 1pda n VAL 87 N -3.61 0.00 -4.36 -0.36 0.24 -1.26 -4.85 118.33 104.13 1pda n VAL 87 Ca 0.07 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.34 62.11 1pda n VAL 87 Cb 0.57 -0.09 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 1pda n VAL 87 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1pda s GLU 88 N -2.90 1.35 0.07 7.34 2.02 -1.26 -4.99 118.70 120.33 1pda s GLU 88 Ca 0.15 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.78 1pda s GLU 88 Cb 0.19 -1.58 -0.03 0.00 0.10 0.00 0.00 34.13 32.80 1pda s GLU 88 CO 0.59 0.34 -0.11 -0.06 0.02 0.00 0.00 175.26 176.04 1pda s PHE 89 N -1.67 1.01 0.66 1.61 0.08 -1.26 -5.09 117.98 113.32 1pda s PHE 89 Ca 0.16 -0.52 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 1pda s PHE 89 Cb -0.08 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1pda s PHE 89 CO 0.07 -0.00 1.22 -1.25 -0.10 0.00 0.00 175.22 175.16 1pda s PRO 90 N -1.95 2.56 0.37 0.24 0.04 -1.26 -4.88 135.00 130.11 1pda s PRO 90 Ca -0.03 1.82 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1pda s PRO 90 Cb -0.08 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 1pda s PRO 90 CO 0.01 -1.53 1.47 0.94 0.04 0.00 0.00 177.00 177.93 1pda n GLN 91 N -2.14 2.60 -0.03 4.56 7.27 -1.26 -2.49 117.38 125.89 1pda n GLN 91 Ca 0.14 0.91 0.00 0.00 0.07 0.00 0.00 57.00 58.12 1pda n GLN 91 Cb 0.50 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.52 1pda n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pda n GLY 92 N 0.61 0.65 3.53 1.69 0.00 -1.26 -5.05 105.19 105.35 1pda n GLY 92 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1pda n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pda s LEU 93 N 0.00 2.84 0.15 0.99 1.43 -1.04 -1.08 118.68 121.97 1pda s LEU 93 Ca 0.00 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1pda s LEU 93 Cb 0.00 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.63 1pda s LEU 93 CO 0.00 0.17 0.89 -0.83 0.23 0.00 0.00 176.35 176.80 1pda s GLY 94 N -2.26 -0.27 -0.36 -3.19 0.00 -0.88 -4.73 107.32 95.63 1pda s GLY 94 Ca 0.20 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.92 1pda s GLY 94 CO 0.12 0.05 0.67 -2.27 0.00 0.00 0.00 173.10 171.67 1pda s LEU 95 N -2.85 4.23 -0.01 0.66 2.96 -1.26 -1.55 118.68 120.86 1pda s LEU 95 Ca 0.10 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.28 1pda s LEU 95 Cb -0.02 -2.84 -0.12 0.00 0.50 0.00 0.00 46.19 43.72 1pda s LEU 95 CO 0.00 -0.63 0.30 1.33 -1.32 0.00 0.00 176.35 176.03 1pda n VAL 96 N 5.64 0.00 -3.80 1.68 0.24 -0.17 -4.98 118.33 116.93 1pda n VAL 96 Ca -0.00 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1pda n VAL 96 Cb 0.48 0.69 -0.13 0.00 -1.47 0.00 0.00 33.84 33.41 1pda n VAL 96 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1pda s THR 97 N -2.19 -0.02 -0.16 3.34 2.01 -1.18 -4.99 115.64 112.45 1pda s THR 97 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1pda s THR 97 Cb 0.06 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.38 1pda s THR 97 CO 0.37 0.03 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.56 1pda s ILE 98 N 0.46 1.60 0.62 1.82 1.01 -1.26 -1.07 121.20 124.38 1pda s ILE 98 Ca -0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1pda s ILE 98 Cb -0.05 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1pda s ILE 98 CO -0.02 0.37 1.03 0.00 0.00 0.00 0.00 174.94 176.32 1pda n GLU 100 N -2.75 1.72 -2.05 0.00 2.13 -1.26 -4.43 120.64 114.00 1pda n GLU 100 Ca 0.06 0.63 -0.42 0.00 0.66 0.00 0.00 57.16 58.09 1pda n GLU 100 Cb 0.54 -2.38 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 1pda n GLU 100 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pda s ARG 101 N 2.48 4.28 0.54 5.31 3.52 -1.26 -4.76 118.95 129.08 1pda s ARG 101 Ca 0.89 2.24 -0.01 0.00 -0.13 0.00 0.00 55.73 58.73 1pda s ARG 101 Cb -0.83 -3.15 0.11 0.00 -1.56 0.00 0.00 34.95 29.52 1pda s ARG 101 CO 0.51 -0.43 0.75 -1.91 -0.81 0.00 0.00 175.30 173.40 1pda n GLU 102 N 2.93 0.05 -1.68 5.12 4.07 -0.78 -4.98 120.64 125.37 1pda n GLU 102 Ca 0.09 -2.00 -0.51 0.00 -0.06 0.00 0.00 57.16 54.67 1pda n GLU 102 Cb 0.41 -0.51 -0.06 0.00 -0.06 0.00 0.00 31.44 31.22 1pda n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1pda n ASP 103 N -2.95 2.92 -0.44 4.31 -0.08 -1.26 -4.75 116.55 114.29 1pda n ASP 103 Ca 0.12 1.03 0.13 0.00 -1.51 0.00 0.00 54.79 54.57 1pda n ASP 103 Cb 0.44 -1.29 0.53 0.00 2.34 0.00 0.00 41.12 43.14 1pda n ASP 103 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1pda n PRO 104 N 5.54 1.60 -2.21 -0.67 -0.04 -1.26 -3.80 135.00 134.15 1pda n PRO 104 Ca 0.23 -0.87 -0.33 0.00 -0.04 0.00 0.00 63.50 62.49 1pda n PRO 104 Cb 0.23 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1pda n PRO 104 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1pda s ARG 105 N -1.95 3.58 0.59 0.54 0.52 -1.26 -4.69 118.95 116.29 1pda s ARG 105 Ca 0.37 1.12 -0.15 0.00 -0.52 0.00 0.00 55.73 56.55 1pda s ARG 105 Cb 0.20 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 1pda s ARG 105 CO 0.32 -0.59 1.05 -0.51 0.02 0.00 0.00 175.30 175.59 1pda s ASP 106 N -2.84 5.87 0.03 0.23 1.01 -1.26 -1.58 116.67 118.14 1pda s ASP 106 Ca 0.62 1.75 0.07 0.00 0.71 0.00 0.00 52.55 55.70 1pda s ASP 106 Cb -0.14 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 1pda s ASP 106 CO 0.34 -1.10 -0.22 0.00 0.21 0.00 0.00 175.17 174.40 1pda s ALA 107 N -2.57 1.84 -0.24 5.23 0.00 0.12 -0.98 121.76 125.17 1pda s ALA 107 Ca 0.62 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1pda s ALA 107 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1pda s ALA 107 CO 0.39 0.42 0.33 0.12 0.00 0.00 0.00 175.76 177.02 1pda s PHE 108 N -0.73 3.30 -0.14 0.00 5.36 0.14 -2.11 117.98 123.80 1pda s PHE 108 Ca 0.08 0.43 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1pda s PHE 108 Cb -0.09 -2.48 0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1pda s PHE 108 CO 0.01 -0.09 -0.17 0.08 -1.46 0.00 0.00 175.22 173.60 1pda s VAL 109 N 1.57 1.71 -0.08 3.12 1.01 -0.62 -1.14 120.40 125.98 1pda s VAL 109 Ca 0.14 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1pda s VAL 109 Cb -0.15 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1pda s VAL 109 CO 0.08 0.48 0.50 -0.55 0.00 0.00 0.00 175.10 175.61 1pda s SER 110 N 1.23 -0.45 -0.12 3.32 0.15 -1.26 -1.49 113.70 115.08 1pda s SER 110 Ca 0.00 0.59 -0.09 0.00 0.70 0.00 0.00 55.95 57.15 1pda s SER 110 Cb -0.14 0.61 -0.26 0.00 -1.71 0.00 0.00 66.02 64.52 1pda s SER 110 CO -0.08 -0.42 0.39 0.78 1.20 0.00 0.00 173.24 175.12 1pda h ASN 111 N 4.00 0.41 0.90 5.45 2.35 -1.94 -3.41 115.58 123.34 1pda h ASN 111 Ca -0.28 -0.92 -0.05 0.00 -0.55 0.00 0.00 56.30 54.49 1pda h ASN 111 Cb 1.16 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1pda h ASN 111 CO 0.33 1.82 -1.14 0.59 -1.65 0.00 0.00 177.43 177.39 1pda n ASN 112 N -3.58 0.85 -4.46 5.81 5.03 -1.26 -4.95 115.26 112.70 1pda n ASN 112 Ca -0.31 0.34 -0.29 0.00 0.87 0.00 0.00 54.58 55.19 1pda n ASN 112 Cb 1.02 0.36 -0.12 0.00 -1.02 0.00 0.00 39.78 40.02 1pda n ASN 112 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1pda s TYR 113 N -3.23 2.46 -0.31 3.10 2.02 -1.26 -5.06 117.35 115.07 1pda s TYR 113 Ca -0.01 -0.30 0.23 0.00 -0.37 0.00 0.00 57.07 56.61 1pda s TYR 113 Cb 0.09 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1pda s TYR 113 CO 0.80 0.39 1.03 -0.25 -1.57 0.00 0.00 175.55 175.95 1pda n ASP 114 N 0.75 0.74 -3.81 2.29 9.92 -1.26 -4.59 116.55 120.59 1pda n ASP 114 Ca -0.16 0.22 -0.06 0.00 -0.53 0.00 0.00 54.79 54.26 1pda n ASP 114 Cb 0.53 0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 41.56 1pda n ASP 114 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1pda s SER 115 N -4.99 -0.23 0.30 -2.24 1.04 -1.26 -4.64 113.70 101.68 1pda s SER 115 Ca 0.00 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 1pda s SER 115 Cb 0.11 0.66 0.46 0.00 0.10 0.00 0.00 66.02 67.34 1pda s SER 115 CO 0.79 -1.21 1.92 0.25 0.98 0.00 0.00 173.24 175.97 1pda h LEU 116 N 2.00 0.85 -1.16 2.42 5.85 -1.98 -2.68 115.31 120.60 1pda h LEU 116 Ca -0.21 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1pda h LEU 116 Cb 1.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1pda h LEU 116 CO 0.24 0.69 -0.17 0.44 -0.34 0.00 0.00 178.44 179.31 1pda h ASP 117 N 0.95 0.37 1.01 1.25 3.32 -2.02 -2.51 116.42 118.79 1pda h ASP 117 Ca 0.24 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1pda h ASP 117 Cb 0.04 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1pda h ASP 117 CO -0.04 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.05 1pda h ALA 118 N 1.48 1.00 -2.67 3.45 0.00 -1.88 -3.45 119.26 117.20 1pda h ALA 118 Ca 0.06 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.45 1pda h ALA 118 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.33 1pda h ALA 118 CO 0.03 0.00 0.72 -0.51 0.00 0.00 0.00 179.25 179.49 1pda s LEU 119 N -5.90 4.39 0.70 0.00 1.43 -0.95 -4.98 118.68 113.37 1pda s LEU 119 Ca 0.02 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.50 1pda s LEU 119 Cb 0.09 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1pda s LEU 119 CO 0.52 -0.64 1.06 -2.16 0.23 0.00 0.00 176.35 175.37 1pda s PRO 120 N 0.17 2.90 0.56 1.29 0.04 -1.26 -4.93 135.00 133.77 1pda s PRO 120 Ca 0.60 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 1pda s PRO 120 Cb -0.39 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 1pda s PRO 120 CO 0.37 -1.13 1.00 0.00 0.04 0.00 0.00 177.00 177.29 1pda n ALA 121 N -3.11 0.29 -0.17 8.56 0.00 -1.26 -2.31 120.51 122.51 1pda n ALA 121 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1pda n ALA 121 Cb 0.53 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1pda n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pda n GLY 122 N 1.23 2.55 3.73 0.00 0.00 0.56 -5.00 105.19 108.25 1pda n GLY 122 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1pda n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pda n SER 123 N 0.00 2.07 -4.43 1.61 7.64 -0.98 -4.55 113.62 114.98 1pda n SER 123 Ca 0.00 0.84 -0.35 0.00 1.01 0.00 0.00 58.87 60.36 1pda n SER 123 Cb 0.00 -1.55 -0.13 0.00 -1.01 0.00 0.00 64.21 61.52 1pda n SER 123 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1pda s ILE 124 N -1.38 3.93 -0.16 0.44 1.01 -1.26 -0.97 121.20 122.80 1pda s ILE 124 Ca 0.82 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1pda s ILE 124 Cb -0.38 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1pda s ILE 124 CO 0.41 0.41 -0.08 -0.69 0.00 0.00 0.00 174.94 174.99 1pda s VAL 125 N 1.15 3.37 -0.19 2.92 1.01 -0.07 0.42 120.40 129.01 1pda s VAL 125 Ca 0.03 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1pda s VAL 125 Cb -0.14 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1pda s VAL 125 CO 0.01 0.49 0.11 -0.83 0.00 0.00 0.00 175.10 174.88 1pda s GLY 126 N 0.67 2.01 -0.29 4.51 0.00 0.22 -1.24 107.32 113.19 1pda s GLY 126 Ca -0.04 -0.70 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 1pda s GLY 126 CO 0.02 0.08 1.19 -1.08 0.00 0.00 0.00 173.10 173.31 1pda s THR 127 N 0.27 0.00 -2.15 0.90 -1.32 -0.82 -2.76 115.64 109.76 1pda s THR 127 Ca 0.07 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.77 1pda s THR 127 Cb -0.11 -1.00 0.53 0.00 -1.51 0.00 0.00 72.50 70.40 1pda s THR 127 CO -0.01 0.00 1.46 -0.24 -2.21 0.00 0.00 174.62 173.62 1pda n SER 128 N 2.02 3.68 -4.63 8.08 2.88 -1.21 -3.75 113.62 120.69 1pda n SER 128 Ca -0.12 -1.99 -0.40 0.00 -1.33 0.00 0.00 58.87 55.03 1pda n SER 128 Cb 0.56 -0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 63.59 1pda n SER 128 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pda s SER 129 N -1.22 6.57 0.31 -3.46 0.15 -1.26 -4.94 113.70 109.86 1pda s SER 129 Ca 0.43 0.69 0.07 0.00 0.70 0.00 0.00 55.95 57.85 1pda s SER 129 Cb 0.24 -2.33 0.52 0.00 -1.71 0.00 0.00 66.02 62.74 1pda s SER 129 CO 0.32 -0.33 1.75 -0.07 1.20 0.00 0.00 173.24 176.10 1pda h LEU 130 N 8.75 0.25 -0.20 3.45 3.38 -1.83 -0.07 115.31 129.04 1pda h LEU 130 Ca -0.28 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1pda h LEU 130 Cb 1.13 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1pda h LEU 130 CO 0.76 0.59 -0.06 -0.09 0.09 0.00 0.00 178.44 179.73 1pda h ARG 131 N 0.21 -0.02 -0.25 1.13 2.43 -1.87 -0.96 114.38 115.05 1pda h ARG 131 Ca 0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1pda h ARG 131 Cb 0.72 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1pda h ARG 131 CO 0.05 -0.01 -0.36 0.00 -1.51 0.00 0.00 179.97 178.14 1pda h ARG 132 N -0.02 0.68 -0.10 0.20 3.08 -1.83 -3.21 114.38 113.18 1pda h ARG 132 Ca 0.10 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1pda h ARG 132 Cb 0.18 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1pda h ARG 132 CO -0.22 1.02 0.04 0.37 -1.07 0.00 0.00 179.97 180.11 1pda h GLN 133 N 0.40 0.14 -0.79 0.04 4.15 -0.90 -2.56 115.11 115.58 1pda h GLN 133 Ca 0.03 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1pda h GLN 133 Cb 0.94 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.55 1pda h GLN 133 CO 0.08 0.23 0.47 0.00 -1.93 0.00 0.00 178.83 177.68 1pda h GLN 135 N 0.85 0.67 -0.48 0.00 4.20 -1.55 -1.10 115.11 117.70 1pda h GLN 135 Ca 0.35 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 1pda h GLN 135 Cb 0.21 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1pda h GLN 135 CO -0.19 0.93 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.75 1pda h LEU 136 N 0.42 0.91 -0.86 1.46 3.38 -1.19 -3.12 115.31 116.31 1pda h LEU 136 Ca 0.06 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1pda h LEU 136 Cb 0.77 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1pda h LEU 136 CO 0.06 1.04 -0.51 0.00 0.09 0.00 0.00 178.44 179.12 1pda h ALA 137 N 0.90 1.04 0.07 1.53 0.00 -1.09 0.12 119.26 121.83 1pda h ALA 137 Ca 0.13 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pda h ALA 137 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pda h ALA 137 CO 0.04 0.65 -0.04 1.49 0.00 0.00 0.00 179.25 181.40 1pda h GLU 138 N 0.13 -0.10 0.07 0.00 4.81 -1.14 -3.13 114.58 115.22 1pda h GLU 138 Ca 0.00 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1pda h GLU 138 Cb 0.94 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1pda h GLU 138 CO 0.07 0.05 -1.09 0.00 -0.73 0.00 0.00 179.01 177.31 1pda h ARG 139 N -0.22 0.20 -2.43 1.92 3.08 -1.46 -3.43 114.38 112.05 1pda h ARG 139 Ca -0.01 -0.31 -0.59 0.00 0.07 0.00 0.00 59.98 59.14 1pda h ARG 139 Cb 0.19 0.11 -0.39 0.00 0.08 0.00 0.00 29.97 29.96 1pda h ARG 139 CO 0.02 1.11 -0.92 0.54 -1.07 0.00 0.00 179.97 179.65 1pda n ARG 140 N -3.53 0.56 0.00 0.04 5.12 0.01 -4.98 116.66 113.88 1pda n ARG 140 Ca -0.05 -3.42 0.08 0.00 -1.93 0.00 0.00 57.85 52.53 1pda n ARG 140 Cb 0.95 -1.73 0.44 0.00 -1.16 0.00 0.00 32.46 30.96 1pda n ARG 140 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1pda n PRO 141 N 2.49 0.30 0.06 5.56 -0.04 -1.18 -2.58 135.00 139.62 1pda n PRO 141 Ca 0.27 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1pda n PRO 141 Cb 0.46 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 1pda n PRO 141 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1pda n ASP 142 N -1.22 0.67 -4.86 3.54 5.75 -1.26 -4.89 116.55 114.28 1pda n ASP 142 Ca 0.09 0.18 -0.32 0.00 -0.01 0.00 0.00 54.79 54.73 1pda n ASP 142 Cb 0.12 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 1pda n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pda s LEU 143 N -4.10 3.94 -0.25 -2.12 1.43 -1.06 -0.33 118.68 116.20 1pda s LEU 143 Ca 0.08 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.34 1pda s LEU 143 Cb 0.14 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 1pda s LEU 143 CO 0.69 -0.31 0.12 -0.63 0.23 0.00 0.00 176.35 176.46 1pda s ILE 144 N -2.18 4.89 -0.28 -0.59 1.01 -0.15 -4.90 121.20 119.00 1pda s ILE 144 Ca 0.53 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.12 1pda s ILE 144 Cb -0.10 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1pda s ILE 144 CO 0.23 0.33 0.12 -0.63 0.00 0.00 0.00 174.94 174.99 1pda s ILE 145 N 1.39 4.51 -0.05 2.92 1.01 -1.26 -0.89 121.20 128.83 1pda s ILE 145 Ca 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1pda s ILE 145 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1pda s ILE 145 CO 0.06 0.18 -0.24 -0.60 0.00 0.00 0.00 174.94 174.34 1pda s ARG 146 N 1.62 2.36 0.55 2.79 3.52 -0.37 -4.98 118.95 124.44 1pda s ARG 146 Ca 0.05 -0.87 -0.21 0.00 -0.13 0.00 0.00 55.73 54.57 1pda s ARG 146 Cb -0.16 -2.06 -0.06 0.00 -1.56 0.00 0.00 34.95 31.11 1pda s ARG 146 CO 0.05 0.40 1.10 0.45 -0.81 0.00 0.00 175.30 176.49 1pda n SER 147 N 2.87 1.46 -3.71 -2.12 2.88 -1.25 -1.95 113.62 111.79 1pda n SER 147 Ca -0.17 0.90 -0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1pda n SER 147 Cb 0.52 -1.44 -0.12 0.00 -0.75 0.00 0.00 64.21 62.41 1pda n SER 147 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pda s LEU 148 N -2.20 0.18 0.18 2.46 2.96 -1.26 -4.68 118.68 116.32 1pda s LEU 148 Ca 0.72 0.64 0.07 0.00 -0.22 0.00 0.00 54.13 55.34 1pda s LEU 148 Cb -0.44 0.91 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 1pda s LEU 148 CO 0.49 -0.18 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.08 1pda s ARG 149 N 1.45 1.23 0.00 1.98 1.81 -1.26 -3.33 118.95 120.83 1pda s ARG 149 Ca -0.08 -1.51 0.00 0.00 -1.72 0.00 0.00 55.73 52.42 1pda s ARG 149 Cb -0.10 -0.98 0.00 0.00 -0.45 0.00 0.00 34.95 33.42 1pda s ARG 149 CO -0.10 0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.09 1pda n GLY 150 N -0.21 3.37 3.63 -3.53 0.00 -1.26 -4.68 105.19 102.51 1pda n GLY 150 Ca -0.10 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 1pda n GLY 150 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pda s ASN 151 N 0.00 2.54 0.20 1.61 0.01 -1.26 -4.68 114.94 113.36 1pda s ASN 151 Ca 0.00 1.74 -0.13 0.00 -0.71 0.00 0.00 52.86 53.75 1pda s ASN 151 Cb 0.00 -2.36 0.21 0.00 0.41 0.00 0.00 41.25 39.52 1pda s ASN 151 CO 0.00 -3.26 1.66 0.58 -1.51 0.00 0.00 177.10 174.57 1pda h VAL 152 N -1.98 0.52 -0.33 1.60 2.07 -1.99 -0.93 116.25 115.21 1pda h VAL 152 Ca -0.51 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1pda h VAL 152 Cb 1.29 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1pda h VAL 152 CO 0.49 0.01 -0.03 1.23 0.02 0.00 0.00 177.57 179.29 1pda h GLY 153 N 0.06 0.56 1.06 2.17 0.00 -1.99 -1.21 103.07 103.72 1pda h GLY 153 Ca 0.27 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1pda h GLY 153 CO -0.50 0.32 0.17 -0.84 0.00 0.00 0.00 176.54 175.68 1pda h THR 154 N 0.50 1.26 -0.19 4.70 2.02 -1.74 -1.29 112.91 118.16 1pda h THR 154 Ca 0.10 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 1pda h THR 154 Cb 0.37 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1pda h THR 154 CO 0.02 0.37 -0.21 0.03 0.37 0.00 0.00 175.52 176.09 1pda h ARG 155 N 1.04 0.47 -0.95 6.66 3.08 -0.42 -2.37 114.38 121.88 1pda h ARG 155 Ca 0.22 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1pda h ARG 155 Cb 0.37 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1pda h ARG 155 CO 0.00 0.84 0.62 -0.07 -1.07 0.00 0.00 179.97 180.29 1pda h LEU 156 N 0.13 1.03 -0.49 3.04 3.38 -1.25 -2.26 115.31 118.90 1pda h LEU 156 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pda h LEU 156 Cb 0.76 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1pda h LEU 156 CO 0.05 0.71 0.30 0.28 0.09 0.00 0.00 178.44 179.87 1pda h SER 157 N 1.20 0.58 -0.26 -0.43 0.02 -0.83 -1.53 113.55 112.31 1pda h SER 157 Ca 0.37 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1pda h SER 157 Cb -0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1pda h SER 157 CO -0.11 0.46 0.07 0.11 -1.14 0.00 0.00 176.83 176.22 1pda h LYS 158 N 0.65 0.50 0.46 3.45 1.57 -1.07 0.34 116.57 122.47 1pda h LYS 158 Ca 0.18 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1pda h LYS 158 Cb -0.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1pda h LYS 158 CO -0.03 0.47 -0.22 1.25 -0.57 0.00 0.00 179.45 180.35 1pda h LEU 159 N 0.49 -0.53 -1.94 2.94 5.85 -1.17 -1.76 115.31 119.19 1pda h LEU 159 Ca 0.11 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1pda h LEU 159 Cb 0.21 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1pda h LEU 159 CO -0.00 -0.23 0.14 0.44 -0.34 0.00 0.00 178.44 178.45 1pda h ASP 160 N -0.84 0.07 0.01 1.25 3.32 -0.88 -0.01 116.42 119.34 1pda h ASP 160 Ca -0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pda h ASP 160 Cb 0.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1pda h ASP 160 CO 0.10 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.26 1pda n ASN 161 N -4.49 0.00 -0.01 6.45 3.02 0.07 -4.90 115.26 115.40 1pda n ASN 161 Ca 0.01 -0.90 -0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1pda n ASN 161 Cb 0.23 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1pda n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pda n GLY 162 N 0.85 0.46 0.17 7.41 0.00 -0.02 -4.95 105.19 109.11 1pda n GLY 162 Ca 0.22 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1pda n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pda h GLU 163 N 0.63 0.00 -3.89 1.61 5.08 -1.50 -3.45 114.58 113.07 1pda h GLU 163 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1pda h GLU 163 Cb 0.02 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.07 1pda h GLU 163 CO 0.00 0.00 -0.65 0.71 -1.00 0.00 0.00 179.01 178.08 1pda s TYR 164 N -3.33 0.22 0.06 4.33 2.02 -1.26 -5.01 117.35 114.39 1pda s TYR 164 Ca 0.05 -0.47 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1pda s TYR 164 Cb 0.09 -0.17 -0.22 0.00 -0.40 0.00 0.00 41.96 41.26 1pda s TYR 164 CO 0.52 -0.23 1.07 -0.44 -1.57 0.00 0.00 175.55 174.90 1pda h ASP 165 N 4.45 0.02 -5.06 2.29 3.32 -0.34 -3.45 116.42 117.65 1pda h ASP 165 Ca -0.32 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1pda h ASP 165 Cb 1.20 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 1pda h ASP 165 CO 0.43 1.03 0.09 0.00 -1.72 0.00 0.00 179.24 179.06 1pda s ALA 166 N -2.67 -1.08 0.09 3.45 0.00 -1.01 -4.33 121.76 116.20 1pda s ALA 166 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1pda s ALA 166 Cb 0.09 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 1pda s ALA 166 CO 0.82 -0.84 0.06 0.96 0.00 0.00 0.00 175.76 176.77 1pda s ILE 167 N -3.86 0.16 -0.12 0.00 -4.36 -0.56 -0.61 121.20 111.85 1pda s ILE 167 Ca 0.08 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 1pda s ILE 167 Cb -0.02 -1.65 -0.00 0.00 1.25 0.00 0.00 42.46 42.04 1pda s ILE 167 CO -0.03 -0.73 -0.20 -0.63 0.24 0.00 0.00 174.94 173.59 1pda s ILE 168 N -3.95 2.39 0.22 8.37 -1.09 -1.11 -1.58 121.20 124.45 1pda s ILE 168 Ca 0.12 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1pda s ILE 168 Cb 0.07 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1pda s ILE 168 CO -0.06 0.54 0.04 -0.76 -1.23 0.00 0.00 174.94 173.46 1pda s LEU 169 N 0.52 1.96 0.20 2.97 1.43 -0.90 -4.85 118.68 120.01 1pda s LEU 169 Ca -0.13 -1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 51.41 1pda s LEU 169 Cb -0.17 -0.09 -0.08 0.00 0.03 0.00 0.00 46.19 45.88 1pda s LEU 169 CO 0.05 -0.61 1.19 0.00 0.23 0.00 0.00 176.35 177.21 1pda s ALA 170 N -3.62 3.44 0.23 4.21 0.00 -1.26 0.14 121.76 124.89 1pda s ALA 170 Ca 0.30 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 1pda s ALA 170 Cb 0.07 -3.41 0.30 0.00 0.00 0.00 0.00 23.12 20.08 1pda s ALA 170 CO 0.09 -0.36 1.82 0.28 0.00 0.00 0.00 175.76 177.58 1pda h VAL 171 N 3.64 0.96 -0.44 0.00 2.07 -1.57 -3.03 116.25 117.88 1pda h VAL 171 Ca -0.45 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1pda h VAL 171 Cb 1.21 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1pda h VAL 171 CO 0.73 0.14 0.21 0.00 0.02 0.00 0.00 177.57 178.67 1pda h ALA 172 N 1.39 0.55 -0.23 1.67 0.00 -1.78 -0.89 119.26 119.97 1pda h ALA 172 Ca 0.34 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1pda h ALA 172 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1pda h ALA 172 CO -0.20 -0.16 0.08 0.78 0.00 0.00 0.00 179.25 179.75 1pda h GLY 173 N 0.42 0.28 0.85 0.00 0.00 -1.89 -1.17 103.07 101.55 1pda h GLY 173 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1pda h GLY 173 CO -0.15 0.03 0.01 1.41 0.00 0.00 0.00 176.54 177.84 1pda h LEU 174 N 0.18 0.41 -0.47 3.11 3.38 -1.47 -2.27 115.31 118.19 1pda h LEU 174 Ca 0.10 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1pda h LEU 174 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1pda h LEU 174 CO -0.11 0.60 0.25 0.11 0.09 0.00 0.00 178.44 179.39 1pda h LYS 175 N 0.20 0.66 -0.09 1.13 1.57 -1.05 0.38 116.57 119.37 1pda h LYS 175 Ca 0.07 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1pda h LYS 175 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1pda h LYS 175 CO 0.01 0.53 -0.27 0.00 -0.57 0.00 0.00 179.45 179.15 1pda h ARG 176 N 0.62 0.17 -0.01 3.15 3.08 -1.13 -2.37 114.38 117.89 1pda h ARG 176 Ca 0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1pda h ARG 176 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1pda h ARG 176 CO -0.03 0.43 -0.02 1.28 -1.07 0.00 0.00 179.97 180.57 1pda n LEU 177 N -4.16 0.56 -0.74 3.04 4.77 -0.86 -4.91 117.00 114.69 1pda n LEU 177 Ca -0.01 -0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 1pda n LEU 177 Cb 0.36 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1pda n LEU 177 CO 0.39 0.10 -0.09 0.61 -1.33 0.00 0.00 177.39 177.07 1pda n GLY 178 N 1.11 0.28 1.35 -0.72 0.00 -0.89 -4.94 105.19 101.39 1pda n GLY 178 Ca 0.20 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 1pda n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pda n LEU 179 N -0.97 4.60 -0.28 0.99 4.77 0.11 -4.71 117.00 121.51 1pda n LEU 179 Ca -0.08 -3.71 0.14 0.00 -0.03 0.00 0.00 56.01 52.33 1pda n LEU 179 Cb 0.48 -0.67 0.41 0.00 -2.33 0.00 0.00 43.42 41.31 1pda n LEU 179 CO 0.10 1.20 1.22 -0.08 -1.33 0.00 0.00 177.39 178.49 1pda h GLU 180 N 1.07 0.61 0.00 3.23 4.81 -1.85 0.96 114.58 123.41 1pda h GLU 180 Ca 0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1pda h GLU 180 Cb 1.87 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.11 1pda h GLU 180 CO 0.51 0.40 0.00 0.66 -0.73 0.00 0.00 179.01 179.85 1pda h SER 181 N 0.62 0.00 0.71 1.04 4.64 -1.93 -1.80 113.55 116.83 1pda h SER 181 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1pda h SER 181 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1pda h SER 181 CO -0.23 0.00 -0.11 0.54 -0.87 0.00 0.00 176.83 176.16 1pda n ARG 182 N -2.37 0.21 -2.46 4.77 5.12 0.33 -4.72 116.66 117.54 1pda n ARG 182 Ca -0.01 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.45 1pda n ARG 182 Cb 0.08 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.86 1pda n ARG 182 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1pda s ILE 183 N -2.82 3.83 0.13 0.55 1.01 -0.68 -4.44 121.20 118.78 1pda s ILE 183 Ca 0.19 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 1pda s ILE 183 Cb 0.19 -4.59 -0.19 0.00 0.01 0.00 0.00 42.46 37.89 1pda s ILE 183 CO 0.54 -1.32 1.30 0.03 0.00 0.00 0.00 174.94 175.48 1pda h ARG 184 N 10.56 0.36 -2.04 2.79 2.47 -1.42 -3.46 114.38 123.64 1pda h ARG 184 Ca -0.26 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.05 1pda h ARG 184 Cb 1.08 0.12 -0.21 0.00 -1.65 0.00 0.00 29.97 29.31 1pda h ARG 184 CO 1.20 1.10 0.02 0.00 0.56 0.00 0.00 179.97 182.84 1pda s ALA 185 N -3.19 -1.81 -0.17 0.04 0.00 -1.15 -4.97 121.76 110.51 1pda s ALA 185 Ca -0.05 2.30 -0.29 0.00 0.00 0.00 0.00 51.96 53.92 1pda s ALA 185 Cb 0.09 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1pda s ALA 185 CO 0.86 -0.36 1.11 0.00 0.00 0.00 0.00 175.76 177.37 1pda s ALA 186 N 1.40 3.60 -0.13 0.00 0.00 -1.26 -0.68 121.76 124.68 1pda s ALA 186 Ca -0.08 0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 1pda s ALA 186 Cb -0.05 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1pda s ALA 186 CO -0.16 -0.96 0.89 -0.51 0.00 0.00 0.00 175.76 175.03 1pda s LEU 187 N 2.91 4.22 0.73 0.00 1.43 -0.15 -4.96 118.68 122.87 1pda s LEU 187 Ca 0.49 1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 54.77 1pda s LEU 187 Cb -0.19 -3.36 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1pda s LEU 187 CO 0.12 -0.39 1.23 -2.84 0.23 0.00 0.00 176.35 174.70 1pda s PRO 188 N 1.95 2.10 0.58 1.29 0.02 -1.26 -4.28 135.00 135.40 1pda s PRO 188 Ca 0.42 1.83 0.28 0.00 0.02 0.00 0.00 61.00 63.55 1pda s PRO 188 Cb -0.17 -1.82 1.59 0.00 0.02 0.00 0.00 34.50 34.12 1pda s PRO 188 CO 0.15 -1.88 2.04 -1.35 -0.33 0.00 0.00 177.00 175.64 1pda h PRO 189 N -0.26 0.00 0.00 5.54 0.11 -1.97 0.53 132.00 135.95 1pda h PRO 189 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1pda h PRO 189 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1pda h PRO 189 CO 0.50 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.12 1pda h GLU 190 N 0.00 0.00 0.05 1.05 3.07 -2.00 -2.69 114.58 114.06 1pda h GLU 190 Ca 0.12 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.62 1pda h GLU 190 Cb 0.68 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.54 1pda h GLU 190 CO -0.00 0.09 -2.19 -0.89 -1.40 0.00 0.00 179.01 174.62 1pda n ILE 191 N -3.19 1.61 -3.54 3.13 2.08 0.09 -4.82 119.36 114.72 1pda n ILE 191 Ca 0.01 -0.67 -0.29 0.00 0.56 0.00 0.00 62.75 62.36 1pda n ILE 191 Cb 0.40 -1.37 -0.15 0.00 -0.75 0.00 0.00 39.64 37.77 1pda n ILE 191 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1pda s SER 192 N -6.53 3.49 0.13 4.38 0.15 -0.71 -4.84 113.70 109.78 1pda s SER 192 Ca -0.23 -1.27 -0.30 0.00 0.70 0.00 0.00 55.95 54.85 1pda s SER 192 Cb 0.08 -0.33 -0.07 0.00 -1.71 0.00 0.00 66.02 63.98 1pda s SER 192 CO 0.72 -0.44 1.20 -0.22 1.20 0.00 0.00 173.24 175.71 1pda s LEU 193 N 2.11 4.42 0.80 3.45 2.96 -1.02 -4.23 118.68 127.17 1pda s LEU 193 Ca 0.09 2.15 -0.11 0.00 -0.22 0.00 0.00 54.13 56.04 1pda s LEU 193 Cb -0.16 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.01 1pda s LEU 193 CO -0.36 -0.42 1.12 -2.84 -1.32 0.00 0.00 176.35 172.53 1pda s PRO 194 N 0.32 1.90 0.64 0.98 0.02 -1.26 -4.71 135.00 132.89 1pda s PRO 194 Ca 0.56 1.38 -0.14 0.00 0.02 0.00 0.00 61.00 62.81 1pda s PRO 194 Cb -0.31 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1pda s PRO 194 CO 0.33 -1.94 1.07 0.00 -0.33 0.00 0.00 177.00 176.13 1pda s ALA 195 N -2.67 2.62 0.01 -1.55 0.00 -1.26 -1.95 121.76 116.97 1pda s ALA 195 Ca 0.65 0.38 -0.38 0.00 0.00 0.00 0.00 51.96 52.60 1pda s ALA 195 Cb -0.21 -3.25 -0.18 0.00 0.00 0.00 0.00 23.12 19.49 1pda s ALA 195 CO 0.54 -1.07 1.31 0.28 0.00 0.00 0.00 175.76 176.83 1pda n VAL 196 N -2.41 0.03 -0.84 0.00 0.31 -1.24 -1.37 118.33 112.80 1pda n VAL 196 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1pda n VAL 196 Cb 0.53 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1pda n VAL 196 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pda n GLY 197 N 2.44 0.38 3.62 2.92 0.00 -1.26 -3.64 105.19 109.65 1pda n GLY 197 Ca 0.20 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.70 1pda n GLY 197 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pda n GLN 198 N -1.56 1.33 0.00 1.61 7.27 -0.47 -1.83 117.38 123.72 1pda n GLN 198 Ca 0.00 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1pda n GLN 198 Cb 0.11 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 30.60 1pda n GLN 198 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pda n GLY 199 N 2.96 1.70 3.67 1.69 0.00 -1.26 -4.45 105.19 109.50 1pda n GLY 199 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1pda n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pda s ALA 200 N -2.36 3.26 -0.08 4.61 0.00 -0.76 -1.87 121.76 124.56 1pda s ALA 200 Ca 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1pda s ALA 200 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1pda s ALA 200 CO 0.00 0.66 0.15 0.08 0.00 0.00 0.00 175.76 176.64 1pda s VAL 201 N -1.12 5.40 0.11 0.00 1.01 -1.26 -1.05 120.40 123.49 1pda s VAL 201 Ca 0.21 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1pda s VAL 201 Cb -0.12 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1pda s VAL 201 CO 0.12 0.51 -0.26 -0.83 0.00 0.00 0.00 175.10 174.64 1pda s GLY 202 N -1.35 1.49 -0.11 4.51 0.00 -0.25 -1.74 107.32 109.88 1pda s GLY 202 Ca 0.19 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1pda s GLY 202 CO 0.09 -1.37 -0.20 -0.42 0.00 0.00 0.00 173.10 171.20 1pda s ILE 203 N -1.03 1.83 0.00 0.90 1.01 -0.24 -1.39 121.20 122.29 1pda s ILE 203 Ca 0.12 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1pda s ILE 203 Cb -0.10 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1pda s ILE 203 CO 0.05 0.51 0.01 -0.70 0.00 0.00 0.00 174.94 174.81 1pda s GLU 204 N 0.64 2.82 0.38 2.79 2.12 -0.33 -1.00 118.70 126.12 1pda s GLU 204 Ca -0.13 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 1pda s GLU 204 Cb -0.16 -2.69 0.04 0.00 0.26 0.00 0.00 34.13 31.57 1pda s GLU 204 CO 0.03 0.63 0.66 0.00 -0.54 0.00 0.00 175.26 176.04 1pda s ARG 206 N -2.46 4.30 0.44 0.00 0.52 -1.26 -2.08 118.95 118.40 1pda s ARG 206 Ca 0.23 1.49 0.10 0.00 -0.52 0.00 0.00 55.73 57.03 1pda s ARG 206 Cb -0.03 -3.64 0.98 0.00 0.52 0.00 0.00 34.95 32.77 1pda s ARG 206 CO 0.16 -0.56 2.06 -0.07 0.02 0.00 0.00 175.30 176.91 1pda h LEU 207 N 9.06 0.36 -0.15 2.53 3.38 -1.45 -1.97 115.31 127.07 1pda h LEU 207 Ca -0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pda h LEU 207 Cb 1.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pda h LEU 207 CO 0.94 0.25 -0.01 -0.90 0.09 0.00 0.00 178.44 178.81 1pda n ASP 208 N -4.48 0.25 -4.49 -0.43 5.75 -1.26 -4.60 116.55 107.28 1pda n ASP 208 Ca 0.03 -0.92 -0.44 0.00 -0.01 0.00 0.00 54.79 53.46 1pda n ASP 208 Cb 0.13 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1pda n ASP 208 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1pda s ASP 209 N -2.12 6.95 0.37 -1.12 -1.08 -0.74 -4.83 116.67 114.10 1pda s ASP 209 Ca 0.42 -2.72 0.10 0.00 -0.52 0.00 0.00 52.55 49.84 1pda s ASP 209 Cb 0.21 -2.45 0.71 0.00 -1.46 0.00 0.00 42.92 39.93 1pda s ASP 209 CO 0.39 -0.90 1.84 0.77 0.52 0.00 0.00 175.17 177.79 1pda h SER 210 N 7.52 0.13 -0.14 -0.34 4.64 -1.85 -2.03 113.55 121.48 1pda h SER 210 Ca 0.33 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1pda h SER 210 Cb 0.89 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1pda h SER 210 CO 1.29 0.42 0.05 -0.09 -0.87 0.00 0.00 176.83 177.63 1pda h ARG 211 N 0.12 0.21 -0.20 4.77 2.43 -1.98 -1.38 114.38 118.34 1pda h ARG 211 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1pda h ARG 211 Cb 0.57 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1pda h ARG 211 CO 0.04 0.31 0.13 1.15 -1.51 0.00 0.00 179.97 180.09 1pda h THR 212 N 0.07 1.06 -0.99 0.20 2.02 -1.92 -2.56 112.91 110.79 1pda h THR 212 Ca 0.05 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1pda h THR 212 Cb 0.18 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1pda h THR 212 CO -0.00 0.06 0.64 0.03 0.37 0.00 0.00 175.52 176.62 1pda h ARG 213 N 0.27 1.18 -0.72 6.66 3.08 -1.30 -1.57 114.38 121.97 1pda h ARG 213 Ca 0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1pda h ARG 213 Cb -0.01 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 1pda h ARG 213 CO -0.02 0.78 0.36 0.93 -1.07 0.00 0.00 179.97 180.96 1pda h GLU 214 N 1.21 1.03 0.00 0.04 5.08 -1.12 -2.82 114.58 118.00 1pda h GLU 214 Ca 0.41 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1pda h GLU 214 Cb 0.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1pda h GLU 214 CO -0.15 0.79 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.35 1pda h LEU 215 N 1.00 0.00 0.00 1.33 3.38 -0.94 -2.96 115.31 117.12 1pda h LEU 215 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1pda h LEU 215 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pda h LEU 215 CO -0.03 0.23 -0.41 -0.07 0.09 0.00 0.00 178.44 178.25 1pda h LEU 216 N 0.00 0.00 -1.05 1.67 3.38 -1.09 -3.38 115.31 114.83 1pda h LEU 216 Ca -0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1pda h LEU 216 Cb 0.42 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1pda h LEU 216 CO 0.03 0.40 0.61 0.00 0.09 0.00 0.00 178.44 179.56 1pda h ALA 217 N 1.60 1.86 0.00 1.53 0.00 -1.33 0.43 119.26 123.35 1pda h ALA 217 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pda h ALA 217 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pda h ALA 217 CO 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1pda n ALA 218 N -2.33 1.39 0.86 0.00 0.00 -1.26 -2.19 120.51 116.98 1pda n ALA 218 Ca 0.27 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.93 1pda n ALA 218 Cb 0.77 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.95 1pda n ALA 218 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pda n LEU 219 N -2.14 0.69 -4.72 0.00 4.32 0.14 -4.94 117.00 110.34 1pda n LEU 219 Ca 0.01 -0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.41 1pda n LEU 219 Cb 0.14 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1pda n LEU 219 CO 0.14 0.14 0.99 0.21 -1.22 0.00 0.00 177.39 177.66 1pda s ASN 220 N -3.28 6.92 -0.38 -1.43 2.47 -0.93 -4.30 114.94 114.00 1pda s ASN 220 Ca 0.08 2.27 -0.07 0.00 0.42 0.00 0.00 52.86 55.55 1pda s ASN 220 Cb 0.16 -2.59 0.06 0.00 -1.45 0.00 0.00 41.25 37.43 1pda s ASN 220 CO 0.79 -0.56 0.18 -2.28 -3.72 0.00 0.00 177.10 171.51 1pda s HIS 221 N 0.77 3.32 0.14 0.43 5.65 -0.29 -4.96 115.29 120.35 1pda s HIS 221 Ca 0.60 -1.56 -0.23 0.00 0.25 0.00 0.00 55.06 54.13 1pda s HIS 221 Cb -0.35 -2.67 0.01 0.00 -1.18 0.00 0.00 32.58 28.40 1pda s HIS 221 CO 0.32 -0.80 1.64 1.25 -0.65 0.00 0.00 174.74 176.50 1pda h HIS 222 N 8.29 -0.61 -0.73 3.88 2.76 -1.94 -0.29 115.15 126.49 1pda h HIS 222 Ca -0.22 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.03 1pda h HIS 222 Cb 1.08 0.30 -0.05 0.00 1.55 0.00 0.00 27.41 30.29 1pda h HIS 222 CO 0.60 -0.31 0.45 1.49 -1.30 0.00 0.00 177.93 178.86 1pda h GLU 223 N -0.26 0.83 -0.45 5.26 4.81 -1.97 -0.87 114.58 121.93 1pda h GLU 223 Ca 0.12 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1pda h GLU 223 Cb 0.45 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1pda h GLU 223 CO -0.35 0.55 0.06 1.15 -0.73 0.00 0.00 179.01 179.69 1pda h THR 224 N 0.86 1.25 -0.81 0.32 2.02 -1.83 -2.41 112.91 112.32 1pda h THR 224 Ca 0.31 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1pda h THR 224 Cb 0.08 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1pda h THR 224 CO -0.14 0.32 0.51 0.00 0.37 0.00 0.00 175.52 176.59 1pda h ALA 225 N 0.94 1.07 -0.37 6.16 0.00 -0.46 -0.90 119.26 125.70 1pda h ALA 225 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pda h ALA 225 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1pda h ALA 225 CO 0.01 0.32 0.21 -0.07 0.00 0.00 0.00 179.25 179.72 1pda h LEU 226 N 0.99 0.46 0.29 0.00 3.38 -0.94 -0.40 115.31 119.09 1pda h LEU 226 Ca 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1pda h LEU 226 Cb 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1pda h LEU 226 CO -0.12 0.41 -0.17 0.03 0.09 0.00 0.00 178.44 178.68 1pda h ARG 227 N 0.48 -0.42 0.00 1.13 3.08 -1.13 -2.73 114.38 114.79 1pda h ARG 227 Ca 0.13 0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1pda h ARG 227 Cb 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1pda h ARG 227 CO -0.02 -0.28 -0.28 0.28 -1.07 0.00 0.00 179.97 178.60 1pda h VAL 228 N -0.44 0.83 -0.39 2.04 2.07 -1.08 -2.45 116.25 116.84 1pda h VAL 228 Ca -0.03 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1pda h VAL 228 Cb 0.36 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1pda h VAL 228 CO 0.03 0.27 0.19 0.74 0.02 0.00 0.00 177.57 178.83 1pda h THR 229 N 0.00 1.16 -0.49 2.57 2.02 -0.88 -0.04 112.91 117.25 1pda h THR 229 Ca -0.00 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1pda h THR 229 Cb 0.65 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1pda h THR 229 CO 0.04 0.17 -0.08 0.00 0.37 0.00 0.00 175.52 176.02 1pda h ALA 230 N 1.04 0.67 -0.50 6.16 0.00 -1.23 -0.76 119.26 124.65 1pda h ALA 230 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1pda h ALA 230 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pda h ALA 230 CO -0.02 0.55 0.24 0.93 0.00 0.00 0.00 179.25 180.95 1pda h GLU 231 N 0.78 0.72 -0.13 0.00 5.08 -1.26 -2.60 114.58 117.17 1pda h GLU 231 Ca 0.13 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1pda h GLU 231 Cb 0.63 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1pda h GLU 231 CO 0.04 0.61 -0.64 0.00 -1.00 0.00 0.00 179.01 178.02 1pda h ARG 232 N 0.66 0.49 -0.81 2.33 3.08 -0.91 -2.27 114.38 116.96 1pda h ARG 232 Ca 0.17 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1pda h ARG 232 Cb 0.13 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1pda h ARG 232 CO -0.02 0.97 0.53 0.00 -1.07 0.00 0.00 179.97 180.38 1pda h ALA 233 N 0.94 1.03 0.20 0.04 0.00 -1.00 0.17 119.26 120.64 1pda h ALA 233 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pda h ALA 233 Cb 1.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1pda h ALA 233 CO 0.12 0.44 -0.15 1.98 0.00 0.00 0.00 179.25 181.64 1pda h MET 234 N 1.10 -0.35 -0.30 0.00 -1.53 -1.30 -2.57 114.93 109.97 1pda h MET 234 Ca 0.30 0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.53 1pda h MET 234 Cb -0.12 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.00 1pda h MET 234 CO -0.06 -0.23 -0.03 -0.91 0.14 0.00 0.00 176.91 175.82 1pda h ASN 235 N -0.36 0.44 -0.20 1.39 2.35 -1.03 -2.15 115.58 116.01 1pda h ASN 235 Ca -0.01 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1pda h ASN 235 Cb 0.32 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1pda h ASN 235 CO -0.01 0.53 0.11 0.74 -1.65 0.00 0.00 177.43 177.15 1pda h THR 236 N 0.45 1.01 -0.14 2.81 2.02 -0.47 -0.83 112.91 117.75 1pda h THR 236 Ca 0.10 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1pda h THR 236 Cb 0.34 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1pda h THR 236 CO 0.01 0.04 -0.08 -0.09 0.37 0.00 0.00 175.52 175.77 1pda h ARG 237 N 0.23 0.22 -0.01 6.66 9.65 -1.05 -0.49 114.38 129.58 1pda h ARG 237 Ca 0.08 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1pda h ARG 237 Cb 0.01 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1pda h ARG 237 CO -0.05 0.32 -0.16 1.28 2.80 0.00 0.00 179.97 184.15 1pda n LEU 238 N -4.33 0.69 -3.71 3.80 4.77 -0.85 -4.93 117.00 112.44 1pda n LEU 238 Ca -0.01 -0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1pda n LEU 238 Cb 0.23 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1pda n LEU 238 CO 0.37 0.13 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.89 1pda n GLU 239 N -0.82 -5.00 -1.21 3.23 1.02 -0.19 -4.99 120.64 112.68 1pda n GLU 239 Ca 0.14 0.62 -0.15 0.00 -0.02 0.00 0.00 57.16 57.75 1pda n GLU 239 Cb 0.30 -5.21 0.10 0.00 -0.02 0.00 0.00 31.44 26.61 1pda n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pda n GLY 240 N -1.58 -0.82 0.00 0.62 0.00 -0.42 -5.04 105.19 97.95 1pda n GLY 240 Ca -0.27 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1pda n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pda n ALA 241 N -3.34 0.00 0.29 4.61 0.00 -1.26 -4.58 120.51 116.22 1pda n ALA 241 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.49 1pda n ALA 241 Cb 0.32 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.64 1pda n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pda n GLN 243 N -3.50 1.55 -4.42 0.00 -0.00 -1.26 -4.62 117.38 105.13 1pda n GLN 243 Ca -0.02 -0.84 -0.24 0.00 -0.00 0.00 0.00 57.00 55.89 1pda n GLN 243 Cb 0.18 -1.24 -0.11 0.00 -0.00 0.00 0.00 30.24 29.07 1pda n GLN 243 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1pda s VAL 244 N -1.72 2.27 -1.42 -0.39 -7.23 -1.00 -4.87 120.40 106.04 1pda s VAL 244 Ca 0.20 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 58.09 1pda s VAL 244 Cb 0.11 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.97 1pda s VAL 244 CO 0.15 -0.30 2.31 -0.81 -0.31 0.00 0.00 175.10 176.14 1pda n PRO 245 N -0.13 3.59 -5.12 4.82 -0.04 -1.26 -4.16 135.00 132.70 1pda n PRO 245 Ca -0.09 -2.95 -0.32 0.00 -0.04 0.00 0.00 63.50 60.10 1pda n PRO 245 Cb 0.58 -2.96 -0.16 0.00 -0.04 0.00 0.00 33.50 30.93 1pda n PRO 245 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pda s ILE 246 N 1.33 2.38 -0.04 0.52 1.01 -1.26 -2.10 121.20 123.04 1pda s ILE 246 Ca 0.51 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1pda s ILE 246 Cb 0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1pda s ILE 246 CO -0.06 0.56 -0.20 -0.83 0.00 0.00 0.00 174.94 174.42 1pda s GLY 247 N -0.06 1.40 -0.18 6.18 0.00 -0.59 -4.75 107.32 109.31 1pda s GLY 247 Ca -0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1pda s GLY 247 CO 0.04 -0.84 0.31 -0.45 0.00 0.00 0.00 173.10 172.16 1pda s SER 248 N -0.66 0.44 -0.13 1.64 0.15 -0.82 -1.67 113.70 112.65 1pda s SER 248 Ca 0.10 0.40 -0.05 0.00 0.70 0.00 0.00 55.95 57.10 1pda s SER 248 Cb -0.10 0.84 0.06 0.00 -1.71 0.00 0.00 66.02 65.10 1pda s SER 248 CO -0.00 -0.27 0.28 -0.47 1.20 0.00 0.00 173.24 173.97 1pda s TYR 249 N 2.46 -0.42 -0.01 3.44 5.04 -0.28 -3.66 117.35 123.92 1pda s TYR 249 Ca 0.05 0.96 0.06 0.00 -2.44 0.00 0.00 57.07 55.70 1pda s TYR 249 Cb -0.14 0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.18 1pda s TYR 249 CO -0.12 -0.32 -0.20 0.00 -1.34 0.00 0.00 175.55 173.57 1pda s ALA 250 N 1.93 2.43 0.09 3.97 0.00 -1.26 -1.26 121.76 127.66 1pda s ALA 250 Ca -0.04 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 50.90 1pda s ALA 250 Cb -0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1pda s ALA 250 CO -0.09 0.55 -0.19 -1.21 0.00 0.00 0.00 175.76 174.82 1pda s GLU 251 N -0.87 1.05 -0.31 0.00 2.02 -0.54 -4.90 118.70 115.14 1pda s GLU 251 Ca 0.12 -1.09 -0.12 0.00 0.02 0.00 0.00 54.97 53.89 1pda s GLU 251 Cb -0.10 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 1pda s GLU 251 CO 0.01 0.29 0.22 -1.17 0.02 0.00 0.00 175.26 174.63 1pda s LEU 252 N -1.83 4.24 -0.17 1.80 2.96 -1.26 -0.30 118.68 124.12 1pda s LEU 252 Ca 0.04 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1pda s LEU 252 Cb -0.10 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.50 1pda s LEU 252 CO 0.04 -0.14 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.24 1pda s ILE 253 N 1.76 1.17 -1.35 6.68 -1.09 -0.46 -4.87 121.20 123.04 1pda s ILE 253 Ca 0.07 -0.71 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 1pda s ILE 253 Cb -0.17 -1.36 0.01 0.00 -1.58 0.00 0.00 42.46 39.37 1pda s ILE 253 CO 0.11 0.10 0.44 0.47 -1.23 0.00 0.00 174.94 174.84 1pda n ASP 254 N 4.85 -1.70 -0.15 3.58 8.00 -1.26 -1.56 116.55 128.31 1pda n ASP 254 Ca -0.12 -1.13 -0.02 0.00 0.71 0.00 0.00 54.79 54.23 1pda n ASP 254 Cb 0.47 -2.52 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 1pda n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pda n GLY 255 N -2.09 0.46 3.25 0.44 0.00 -1.26 -5.02 105.19 100.98 1pda n GLY 255 Ca -0.24 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1pda n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pda s GLU 256 N -1.27 1.06 -0.07 1.61 2.02 -0.60 -4.55 118.70 116.90 1pda s GLU 256 Ca 0.00 -1.34 -0.22 0.00 0.02 0.00 0.00 54.97 53.43 1pda s GLU 256 Cb 0.00 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1pda s GLU 256 CO 0.00 0.14 0.66 0.42 0.02 0.00 0.00 175.26 176.50 1pda s ILE 257 N -2.57 5.06 -0.36 -1.63 1.01 0.71 -1.35 121.20 122.07 1pda s ILE 257 Ca 0.13 1.35 -0.07 0.00 0.00 0.00 0.00 60.65 62.05 1pda s ILE 257 Cb -0.02 -4.00 0.05 0.00 0.01 0.00 0.00 42.46 38.50 1pda s ILE 257 CO 0.03 0.28 0.14 0.86 0.00 0.00 0.00 174.94 176.25 1pda s TRP 258 N 0.70 3.28 -0.18 3.97 -0.00 0.59 -1.86 118.94 125.43 1pda s TRP 258 Ca 0.35 -1.41 -0.11 0.00 -0.00 0.00 0.00 56.10 54.94 1pda s TRP 258 Cb -0.17 -2.43 -0.05 0.00 -0.00 0.00 0.00 33.47 30.82 1pda s TRP 258 CO 0.17 -0.74 0.17 -1.17 -0.00 0.00 0.00 176.95 175.37 1pda s LEU 259 N 1.42 4.23 0.04 5.86 2.96 0.07 -1.47 118.68 131.80 1pda s LEU 259 Ca -0.00 0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.31 1pda s LEU 259 Cb -0.20 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1pda s LEU 259 CO 0.03 0.18 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.86 1pda s ARG 260 N 0.26 1.72 0.04 1.98 0.52 -0.39 -1.32 118.95 121.76 1pda s ARG 260 Ca 0.11 -1.07 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 1pda s ARG 260 Cb -0.12 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 1pda s ARG 260 CO -0.00 0.49 0.02 0.20 0.02 0.00 0.00 175.30 176.03 1pda s GLY 261 N -1.20 0.30 -0.03 -3.53 0.00 -0.87 -1.12 107.32 100.85 1pda s GLY 261 Ca 0.11 -0.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 1pda s GLY 261 CO 0.02 -0.92 0.32 0.48 0.00 0.00 0.00 173.10 173.01 1pda s LEU 262 N -2.28 0.79 -0.11 0.66 0.05 -0.67 -2.07 118.68 115.05 1pda s LEU 262 Ca -0.03 0.20 0.01 0.00 0.05 0.00 0.00 54.13 54.36 1pda s LEU 262 Cb 0.00 1.29 0.02 0.00 -2.05 0.00 0.00 46.19 45.45 1pda s LEU 262 CO -0.06 -0.40 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.54 1pda s VAL 263 N -1.07 1.26 0.16 1.48 1.01 -0.18 -1.55 120.40 121.51 1pda s VAL 263 Ca -0.11 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1pda s VAL 263 Cb -0.05 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1pda s VAL 263 CO 0.04 0.40 -0.14 -0.83 0.00 0.00 0.00 175.10 174.57 1pda s GLY 264 N 1.25 1.23 0.19 4.51 0.00 -0.89 -0.33 107.32 113.28 1pda s GLY 264 Ca -0.02 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.93 1pda s GLY 264 CO -0.04 -1.55 0.96 0.00 0.00 0.00 0.00 173.10 172.47 1pda s ALA 265 N -2.59 3.31 0.59 3.20 0.00 0.62 -4.69 121.76 122.20 1pda s ALA 265 Ca 0.15 0.62 0.29 0.00 0.00 0.00 0.00 51.96 53.02 1pda s ALA 265 Cb -0.02 -3.24 1.56 0.00 0.00 0.00 0.00 23.12 21.41 1pda s ALA 265 CO 0.04 0.10 2.00 -1.35 0.00 0.00 0.00 175.76 176.55 1pda h PRO 266 N 4.70 0.00 -0.00 0.00 0.11 -1.89 0.35 132.00 135.27 1pda h PRO 266 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pda h PRO 266 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pda h PRO 266 CO 0.70 0.00 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.06 1pda n ASP 267 N -3.75 0.23 -0.07 -2.05 5.75 -1.26 -3.94 116.55 111.46 1pda n ASP 267 Ca 0.05 -0.68 -0.01 0.00 -0.01 0.00 0.00 54.79 54.14 1pda n ASP 267 Cb 0.50 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1pda n ASP 267 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pda n GLY 268 N 1.17 0.48 0.24 6.12 0.00 0.11 -4.50 105.19 108.81 1pda n GLY 268 Ca 0.18 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1pda n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pda h SER 269 N 0.00 0.80 -3.41 1.61 4.64 -1.90 -3.38 113.55 111.91 1pda h SER 269 Ca -0.02 -0.41 -0.39 0.00 -0.47 0.00 0.00 61.79 60.51 1pda h SER 269 Cb 0.08 -0.23 -0.35 0.00 -0.31 0.00 0.00 62.40 61.59 1pda h SER 269 CO 0.03 1.16 -0.76 -1.58 -0.87 0.00 0.00 176.83 174.81 1pda s GLN 270 N -4.14 0.49 -0.08 4.77 0.74 -1.26 -5.05 119.66 115.13 1pda s GLN 270 Ca -0.09 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.38 1pda s GLN 270 Cb 0.11 -0.71 0.02 0.00 1.10 0.00 0.00 33.01 33.54 1pda s GLN 270 CO 0.86 -0.18 -0.08 0.42 -0.55 0.00 0.00 175.29 175.77 1pda s ILE 271 N 1.32 0.90 -0.24 -2.34 1.01 -1.26 -0.27 121.20 120.32 1pda s ILE 271 Ca -0.05 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 1pda s ILE 271 Cb -0.13 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1pda s ILE 271 CO -0.02 0.33 0.38 -0.63 0.00 0.00 0.00 174.94 174.99 1pda s ILE 272 N 1.24 5.19 0.15 2.92 -1.09 0.55 -4.95 121.20 125.21 1pda s ILE 272 Ca -0.05 0.63 0.11 0.00 -2.23 0.00 0.00 60.65 59.11 1pda s ILE 272 Cb -0.14 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1pda s ILE 272 CO -0.02 0.20 -0.25 -0.13 -1.23 0.00 0.00 174.94 173.51 1pda s ARG 273 N 1.71 1.41 0.19 2.79 0.52 -1.26 -1.01 118.95 123.30 1pda s ARG 273 Ca 0.17 -1.40 -0.23 0.00 -0.52 0.00 0.00 55.73 53.75 1pda s ARG 273 Cb -0.15 -1.80 0.06 0.00 0.52 0.00 0.00 34.95 33.57 1pda s ARG 273 CO 0.09 0.41 0.64 0.20 0.02 0.00 0.00 175.30 176.66 1pda s GLY 274 N -2.31 -0.46 0.04 -3.53 0.00 -0.88 -5.00 107.32 95.18 1pda s GLY 274 Ca 0.16 0.26 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 1pda s GLY 274 CO 0.07 0.09 0.21 -1.83 0.00 0.00 0.00 173.10 171.64 1pda s GLU 275 N -3.78 0.69 0.01 2.90 -1.05 -1.26 -2.05 118.70 114.16 1pda s GLU 275 Ca 0.04 -0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 54.23 1pda s GLU 275 Cb -0.02 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.95 1pda s GLU 275 CO -0.07 -0.20 0.05 1.03 0.95 0.00 0.00 175.26 177.02 1pda s ARG 276 N -2.49 0.37 0.00 -4.83 1.81 -0.44 -5.00 118.95 108.38 1pda s ARG 276 Ca -0.06 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 53.53 1pda s ARG 276 Cb -0.01 0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.62 1pda s ARG 276 CO -0.03 -0.07 -0.14 0.50 -0.68 0.00 0.00 175.30 174.87 1pda s ARG 277 N -1.32 1.07 0.03 3.54 3.52 -1.26 -0.75 118.95 123.78 1pda s ARG 277 Ca -0.14 -0.57 -0.21 0.00 -0.13 0.00 0.00 55.73 54.68 1pda s ARG 277 Cb -0.08 -1.05 0.07 0.00 -1.56 0.00 0.00 34.95 32.33 1pda s ARG 277 CO 0.00 0.28 0.99 0.41 -0.81 0.00 0.00 175.30 176.17 1pda n GLY 278 N 2.51 0.42 3.81 8.12 0.00 -0.78 -4.96 105.19 114.31 1pda n GLY 278 Ca -0.15 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1pda n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pda s ALA 279 N -1.83 3.01 0.37 4.61 0.00 -1.26 -0.21 121.76 126.45 1pda s ALA 279 Ca 0.23 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.75 1pda s ALA 279 Cb -0.01 -3.18 0.83 0.00 0.00 0.00 0.00 23.12 20.75 1pda s ALA 279 CO 0.01 0.02 1.91 -1.35 0.00 0.00 0.00 175.76 176.35 1pda h PRO 280 N 1.94 0.65 0.00 0.00 0.11 -1.93 0.62 132.00 133.38 1pda h PRO 280 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1pda h PRO 280 Cb 1.19 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1pda h PRO 280 CO 0.61 0.43 -0.02 1.96 -0.21 0.00 0.00 178.00 180.77 1pda h GLN 281 N 0.67 0.00 -0.64 1.05 7.50 -1.98 -2.41 115.11 119.30 1pda h GLN 281 Ca 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.53 1pda h GLN 281 Cb 0.57 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.10 1pda h GLN 281 CO -0.15 0.02 0.01 -0.25 -1.50 0.00 0.00 178.83 176.95 1pda n ASP 282 N -3.67 5.09 -0.14 1.46 8.00 0.21 -4.70 116.55 122.79 1pda n ASP 282 Ca -0.03 -2.81 -0.04 0.00 0.71 0.00 0.00 54.79 52.62 1pda n ASP 282 Cb 0.11 -0.66 0.03 0.00 -0.02 0.00 0.00 41.12 40.58 1pda n ASP 282 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pda h ALA 283 N 3.71 0.35 -0.13 2.24 0.00 -1.52 -0.41 119.26 123.49 1pda h ALA 283 Ca 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1pda h ALA 283 Cb 1.80 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1pda h ALA 283 CO 0.43 -0.43 -0.03 1.49 0.00 0.00 0.00 179.25 180.72 1pda h GLU 284 N 0.04 0.25 -0.49 0.00 4.81 -1.84 -2.38 114.58 114.96 1pda h GLU 284 Ca 0.22 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1pda h GLU 284 Cb 0.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1pda h GLU 284 CO -0.43 0.53 0.03 1.96 -0.73 0.00 0.00 179.01 180.37 1pda h GLN 285 N -0.06 0.81 -0.42 1.92 1.08 -1.82 -2.11 115.11 114.50 1pda h GLN 285 Ca 0.03 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1pda h GLN 285 Cb 0.44 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1pda h GLN 285 CO 0.01 0.80 0.28 0.52 -0.95 0.00 0.00 178.83 179.49 1pda h MET 286 N 0.76 0.56 -0.38 1.46 2.86 -1.02 -1.30 114.93 117.87 1pda h MET 286 Ca 0.15 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1pda h MET 286 Cb 0.42 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1pda h MET 286 CO 0.02 0.38 0.22 0.78 1.06 0.00 0.00 176.91 179.36 1pda h GLY 287 N 0.57 0.52 0.96 8.32 0.00 -1.09 -1.08 103.07 111.28 1pda h GLY 287 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1pda h GLY 287 CO -0.03 0.15 0.11 -2.22 0.00 0.00 0.00 176.54 174.54 1pda h ILE 288 N 0.45 1.09 -0.63 2.60 2.04 -1.19 -1.53 117.51 120.33 1pda h ILE 288 Ca 0.15 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1pda h ILE 288 Cb 0.00 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1pda h ILE 288 CO -0.07 0.08 0.35 0.28 0.00 0.00 0.00 178.15 178.79 1pda h SER 289 N 0.21 0.51 0.08 1.72 0.02 -1.14 -1.38 113.55 113.58 1pda h SER 289 Ca 0.07 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1pda h SER 289 Cb 0.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1pda h SER 289 CO -0.01 0.34 -0.04 0.25 -1.14 0.00 0.00 176.83 176.23 1pda h LEU 290 N 0.65 -0.09 -0.76 5.07 5.85 -0.96 -1.49 115.31 123.58 1pda h LEU 290 Ca 0.28 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.08 1pda h LEU 290 Cb 0.17 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1pda h LEU 290 CO -0.18 -0.01 0.34 0.00 -0.34 0.00 0.00 178.44 178.26 1pda h ALA 291 N 0.74 1.07 -0.14 1.25 0.00 -0.97 -1.89 119.26 119.33 1pda h ALA 291 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1pda h ALA 291 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pda h ALA 291 CO 0.02 -0.14 -0.36 0.93 0.00 0.00 0.00 179.25 179.70 1pda h GLU 292 N 0.52 0.29 -0.45 0.00 5.08 -0.97 -1.48 114.58 117.58 1pda h GLU 292 Ca 0.40 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1pda h GLU 292 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1pda h GLU 292 CO -0.36 0.62 0.23 1.49 -1.00 0.00 0.00 179.01 180.00 1pda h GLU 293 N 0.25 0.64 -0.33 2.33 4.81 -0.68 -1.84 114.58 119.76 1pda h GLU 293 Ca 0.03 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1pda h GLU 293 Cb 0.75 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1pda h GLU 293 CO 0.06 0.52 0.16 -0.07 -0.73 0.00 0.00 179.01 178.94 1pda h LEU 294 N 0.59 0.43 -0.89 1.64 3.38 -1.06 -2.59 115.31 116.80 1pda h LEU 294 Ca 0.16 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1pda h LEU 294 Cb 0.08 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1pda h LEU 294 CO -0.02 0.44 0.58 -0.07 0.09 0.00 0.00 178.44 179.45 1pda h LEU 295 N 0.39 0.96 -0.78 1.67 3.38 -1.07 0.58 115.31 120.44 1pda h LEU 295 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pda h LEU 295 Cb 0.12 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1pda h LEU 295 CO -0.01 0.65 0.00 0.78 0.09 0.00 0.00 178.44 179.95 1pda h ASN 296 N 1.12 0.00 -0.46 -0.43 2.35 -1.14 -3.09 115.58 113.93 1pda h ASN 296 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1pda h ASN 296 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1pda h ASN 296 CO -0.12 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.25 1pda n ASN 297 N -2.42 3.41 0.00 5.81 3.02 -0.94 -4.92 115.26 119.21 1pda n ASN 297 Ca 0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1pda n ASN 297 Cb 0.27 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1pda n ASN 297 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pda n GLY 298 N 1.30 0.77 0.26 7.41 0.00 -1.12 -4.99 105.19 108.82 1pda n GLY 298 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1pda n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pda h ALA 299 N 0.00 1.12 -0.42 4.61 0.00 -0.93 -2.86 119.26 120.78 1pda h ALA 299 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1pda h ALA 299 Cb 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 1pda h ALA 299 CO 0.00 0.55 -0.19 -0.09 0.00 0.00 0.00 179.25 179.52 1pda h ARG 300 N 0.55 -0.10 -0.35 0.00 2.43 -1.76 -1.38 114.38 113.77 1pda h ARG 300 Ca 0.10 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1pda h ARG 300 Cb 0.56 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1pda h ARG 300 CO 0.04 -0.06 -0.33 0.93 -1.51 0.00 0.00 179.97 179.03 1pda h GLU 301 N -0.10 0.78 -0.45 0.20 3.07 -1.85 -0.79 114.58 115.44 1pda h GLU 301 Ca 0.21 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 1pda h GLU 301 Cb 0.42 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1pda h GLU 301 CO -0.49 1.00 0.16 0.82 -1.40 0.00 0.00 179.01 179.10 1pda h ILE 302 N 0.65 1.21 -0.52 3.13 2.04 -1.20 -2.43 117.51 120.39 1pda h ILE 302 Ca 0.07 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 1pda h ILE 302 Cb 0.87 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1pda h ILE 302 CO 0.08 0.24 -0.07 -0.07 0.00 0.00 0.00 178.15 178.33 1pda h LEU 303 N 0.58 0.92 -0.64 1.44 3.38 -1.17 -2.65 115.31 117.17 1pda h LEU 303 Ca 0.15 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1pda h LEU 303 Cb 0.22 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1pda h LEU 303 CO -0.01 1.01 0.37 0.00 0.09 0.00 0.00 178.44 179.91 1pda h ALA 304 N 1.07 0.84 0.00 1.53 0.00 -1.04 0.31 119.26 121.98 1pda h ALA 304 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pda h ALA 304 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pda h ALA 304 CO 0.04 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.76 1pda n GLU 305 N -4.75 0.26 -0.09 0.00 1.02 -0.92 -3.33 120.64 112.81 1pda n GLU 305 Ca 0.07 0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.20 1pda n GLU 305 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 1pda n GLU 305 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pda n VAL 306 N -1.26 1.47 1.16 2.62 0.31 0.84 -5.08 118.33 118.39 1pda n VAL 306 Ca 0.08 0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.54 1pda n VAL 306 Cb 0.12 -2.20 0.55 0.00 -0.91 0.00 0.00 33.84 31.41 1pda n VAL 306 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29