#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkl h GLN 2 N 0.00 0.08 0.14 4.33 5.75 -1.99 -2.11 115.11 121.31 1pkl h GLN 2 Ca 0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1pkl h GLN 2 Cb 0.00 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1pkl h GLN 2 CO 0.00 0.52 -0.07 1.25 -2.65 0.00 0.00 178.83 177.88 1pkl h LEU 3 N 0.07 -0.16 -0.82 -2.39 6.46 -2.01 -0.48 115.31 115.98 1pkl h LEU 3 Ca 0.00 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1pkl h LEU 3 Cb 0.82 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 1pkl h LEU 3 CO 0.06 -0.02 0.47 0.00 -0.62 0.00 0.00 178.44 178.33 1pkl h ALA 4 N 0.56 1.05 -0.65 1.25 0.00 -2.00 -2.72 119.26 116.76 1pkl h ALA 4 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1pkl h ALA 4 Cb 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pkl h ALA 4 CO 0.03 0.54 0.21 1.25 0.00 0.00 0.00 179.25 181.28 1pkl h HIS 5 N 1.13 1.00 -0.14 0.00 -0.00 -1.18 -2.69 115.15 113.27 1pkl h HIS 5 Ca 0.29 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 1pkl h HIS 5 Cb 0.00 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1pkl h HIS 5 CO 0.00 0.79 0.00 -0.91 -0.00 0.00 0.00 177.93 177.81 1pkl h ASN 6 N 0.95 0.18 0.25 3.26 2.35 -0.76 -2.30 115.58 119.50 1pkl h ASN 6 Ca 0.21 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1pkl h ASN 6 Cb 0.25 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1pkl h ASN 6 CO -0.01 0.22 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.70 1pkl h LEU 7 N 0.20 0.00 0.00 1.61 3.38 -1.41 -2.95 115.31 116.13 1pkl h LEU 7 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pkl h LEU 7 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pkl h LEU 7 CO 0.00 0.22 -0.55 0.35 0.09 0.00 0.00 178.44 178.55 1pkl n THR 8 N -4.19 0.13 -1.54 0.22 -2.24 -0.87 -4.96 114.28 100.82 1pkl n THR 8 Ca -0.02 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1pkl n THR 8 Cb 0.28 0.09 0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1pkl n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pkl s LEU 9 N -3.46 2.96 -0.28 3.22 1.43 -1.12 -5.09 118.68 116.34 1pkl s LEU 9 Ca 0.09 1.54 -0.05 0.00 -1.03 0.00 0.00 54.13 54.67 1pkl s LEU 9 Cb 0.16 -4.33 0.15 0.00 0.03 0.00 0.00 46.19 42.20 1pkl s LEU 9 CO 0.71 -1.64 0.58 -0.55 0.23 0.00 0.00 176.35 175.67 1pkl s SER 10 N -3.80 -1.01 0.00 2.29 0.15 -1.26 -5.01 113.70 105.06 1pkl s SER 10 Ca 0.59 1.11 0.05 0.00 0.70 0.00 0.00 55.95 58.41 1pkl s SER 10 Cb -0.14 2.04 0.33 0.00 -1.71 0.00 0.00 66.02 66.53 1pkl s SER 10 CO 0.55 -0.24 0.76 2.30 1.20 0.00 0.00 173.24 177.80 1pkl n ILE 11 N 5.43 0.00 0.54 6.45 -5.35 -1.26 -1.30 119.36 123.86 1pkl n ILE 11 Ca -0.07 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.51 1pkl n ILE 11 Cb 0.50 -0.85 -0.13 0.00 -1.74 0.00 0.00 39.64 37.43 1pkl n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1pkl n PHE 12 N -0.94 0.00 -2.57 4.28 3.72 -1.26 -4.94 117.46 115.74 1pkl n PHE 12 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 1pkl n PHE 12 Cb 0.02 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 1pkl n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pkl s ASP 13 N -3.43 7.34 0.23 4.37 1.01 -0.42 -4.98 116.67 120.79 1pkl s ASP 13 Ca 0.01 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 55.11 1pkl s ASP 13 Cb 0.14 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 1pkl s ASP 13 CO 0.81 -0.08 1.47 -2.16 0.21 0.00 0.00 175.17 175.42 1pkl s PRO 14 N -1.47 4.26 0.23 8.23 0.04 -1.26 -4.99 135.00 140.04 1pkl s PRO 14 Ca 0.45 2.31 -0.08 0.00 0.04 0.00 0.00 61.00 63.72 1pkl s PRO 14 Cb -0.29 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 1pkl s PRO 14 CO 0.37 -0.46 0.53 0.14 0.04 0.00 0.00 177.00 177.62 1pkl s VAL 15 N 0.27 4.98 0.23 -0.36 -7.23 -1.26 -5.05 120.40 111.97 1pkl s VAL 15 Ca 0.62 0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 60.81 1pkl s VAL 15 Cb -0.42 -3.64 -0.09 0.00 0.56 0.00 0.00 36.38 32.78 1pkl s VAL 15 CO 0.40 -0.12 1.38 0.00 -0.31 0.00 0.00 175.10 176.46 1pkl s ALA 16 N -1.86 3.58 -0.27 1.32 0.00 -1.26 -4.90 121.76 118.37 1pkl s ALA 16 Ca 0.46 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1pkl s ALA 16 Cb -0.11 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.52 1pkl s ALA 16 CO 0.24 -0.65 0.92 -1.71 0.00 0.00 0.00 175.76 174.55 1pkl n ASN 17 N 2.42 2.56 -4.61 0.00 5.15 -1.26 -4.84 115.26 114.69 1pkl n ASN 17 Ca 0.06 -2.07 -0.35 0.00 -0.60 0.00 0.00 54.58 51.62 1pkl n ASN 17 Cb 0.41 -0.51 -0.10 0.00 -0.53 0.00 0.00 39.78 39.05 1pkl n ASN 17 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1pkl s TYR 18 N -0.41 3.23 -0.20 1.20 5.04 -1.26 -5.09 117.35 119.86 1pkl s TYR 18 Ca 0.03 0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.66 1pkl s TYR 18 Cb 0.02 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.23 1pkl s TYR 18 CO 0.01 0.08 -0.11 0.50 -1.34 0.00 0.00 175.55 174.68 1pkl s ARG 19 N 0.57 3.22 -0.05 4.97 3.52 -1.26 -4.88 118.95 125.03 1pkl s ARG 19 Ca 0.03 -0.72 -0.14 0.00 -0.13 0.00 0.00 55.73 54.78 1pkl s ARG 19 Cb -0.13 -2.80 -0.31 0.00 -1.56 0.00 0.00 34.95 30.16 1pkl s ARG 19 CO 0.01 -0.17 0.71 0.00 -0.81 0.00 0.00 175.30 175.04 1pkl h ALA 20 N 7.94 0.08 -2.86 6.12 0.00 -1.95 -3.44 119.26 125.14 1pkl h ALA 20 Ca -0.42 -1.04 -0.53 0.00 0.00 0.00 0.00 54.91 52.92 1pkl h ALA 20 Cb 1.16 0.38 0.12 0.00 0.00 0.00 0.00 17.79 19.45 1pkl h ALA 20 CO 0.61 0.85 0.48 0.00 0.00 0.00 0.00 179.25 181.20 1pkl s ALA 21 N -2.54 2.56 0.09 0.00 0.00 -1.26 0.37 121.76 120.98 1pkl s ALA 21 Ca -0.16 1.04 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1pkl s ALA 21 Cb 0.04 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1pkl s ALA 21 CO 0.84 -1.19 -0.09 1.03 0.00 0.00 0.00 175.76 176.35 1pkl s ARG 22 N -3.29 2.21 -0.17 0.00 1.81 -0.45 -4.90 118.95 114.17 1pkl s ARG 22 Ca 0.77 -0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 53.78 1pkl s ARG 22 Cb -0.31 -2.35 -0.02 0.00 -0.45 0.00 0.00 34.95 31.82 1pkl s ARG 22 CO 0.34 0.52 -0.07 0.42 -0.68 0.00 0.00 175.30 175.84 1pkl s ILE 23 N -1.19 3.46 -0.19 1.52 1.01 -1.26 -1.24 121.20 123.30 1pkl s ILE 23 Ca 0.21 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 1pkl s ILE 23 Cb -0.11 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1pkl s ILE 23 CO 0.13 0.48 0.02 -0.63 0.00 0.00 0.00 174.94 174.94 1pkl s ILE 24 N 0.70 4.22 -0.07 2.92 1.01 -0.71 -1.09 121.20 128.17 1pkl s ILE 24 Ca -0.03 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1pkl s ILE 24 Cb -0.15 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1pkl s ILE 24 CO 0.02 0.44 -0.22 0.00 0.00 0.00 0.00 174.94 175.19 1pkl s THR 26 N -0.08 4.87 0.28 0.00 2.01 -0.46 -0.23 115.64 122.03 1pkl s THR 26 Ca -0.05 1.57 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 1pkl s THR 26 Cb -0.14 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1pkl s THR 26 CO 0.04 -0.01 0.87 -0.63 -0.69 0.00 0.00 174.62 174.20 1pkl s ILE 27 N 2.41 4.33 0.00 1.82 -1.09 -0.50 -2.22 121.20 125.95 1pkl s ILE 27 Ca 0.36 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1pkl s ILE 27 Cb -0.16 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1pkl s ILE 27 CO 0.10 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1pkl n GLY 28 N 0.68 2.70 0.19 6.18 0.00 -1.25 -4.72 105.19 108.97 1pkl n GLY 28 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 1pkl n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkl h PRO 29 N 0.00 -0.01 0.00 1.61 0.11 -1.81 0.24 132.00 132.13 1pkl h PRO 29 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pkl h PRO 29 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pkl h PRO 29 CO 0.00 -0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 176.65 1pkl n SER 30 N -5.34 0.00 -0.03 -2.05 3.41 -0.90 -3.83 113.62 104.88 1pkl n SER 30 Ca 0.03 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1pkl n SER 30 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1pkl n SER 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pkl n THR 31 N -0.61 0.00 0.10 6.66 -2.24 -0.51 -4.90 114.28 112.78 1pkl n THR 31 Ca 0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1pkl n THR 31 Cb 0.02 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1pkl n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pkl h GLN 32 N 0.00 0.00 -7.15 -0.78 4.15 -0.69 -3.34 115.11 107.30 1pkl h GLN 32 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1pkl h GLN 32 Cb 1.01 0.00 0.15 0.00 0.21 0.00 0.00 27.48 28.85 1pkl h GLN 32 CO 0.00 0.79 0.44 -1.54 -1.93 0.00 0.00 178.83 176.59 1pkl s SER 33 N -6.66 4.42 0.58 -0.69 1.04 -1.26 -4.80 113.70 106.32 1pkl s SER 33 Ca 0.01 2.43 0.30 0.00 0.48 0.00 0.00 55.95 59.17 1pkl s SER 33 Cb 0.10 -2.60 1.77 0.00 0.10 0.00 0.00 66.02 65.40 1pkl s SER 33 CO 0.79 -2.12 2.23 0.58 0.98 0.00 0.00 173.24 175.70 1pkl h VAL 34 N 0.07 0.52 -0.00 5.02 2.07 -1.90 -1.18 116.25 120.84 1pkl h VAL 34 Ca -0.49 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1pkl h VAL 34 Cb 1.31 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1pkl h VAL 34 CO 0.51 0.02 -0.02 -0.08 0.02 0.00 0.00 177.57 178.03 1pkl h GLU 35 N 0.00 0.02 -0.22 1.57 4.81 -1.95 -3.07 114.58 115.74 1pkl h GLU 35 Ca -0.00 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1pkl h GLU 35 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1pkl h GLU 35 CO 0.00 0.69 -0.14 0.00 -0.73 0.00 0.00 179.01 178.83 1pkl h ALA 36 N 0.33 1.35 -0.43 2.92 0.00 -1.73 -2.71 119.26 118.99 1pkl h ALA 36 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1pkl h ALA 36 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pkl h ALA 36 CO 0.00 0.44 -0.29 -0.07 0.00 0.00 0.00 179.25 179.33 1pkl h LEU 37 N 0.35 0.97 -1.15 0.00 3.38 -1.32 -1.97 115.31 115.58 1pkl h LEU 37 Ca 0.07 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1pkl h LEU 37 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1pkl h LEU 37 CO 0.03 1.19 0.04 0.11 0.09 0.00 0.00 178.44 179.89 1pkl h LYS 38 N 0.79 0.63 -0.23 1.13 1.57 -1.38 -0.62 116.57 118.47 1pkl h LYS 38 Ca 0.09 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1pkl h LYS 38 Cb 0.87 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1pkl h LYS 38 CO 0.08 0.63 -0.36 0.78 -0.57 0.00 0.00 179.45 180.01 1pkl h GLY 39 N 0.88 0.53 1.06 3.86 0.00 -1.28 -0.40 103.07 107.72 1pkl h GLY 39 Ca 0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 1pkl h GLY 39 CO 0.01 0.45 -0.25 -2.00 0.00 0.00 0.00 176.54 174.74 1pkl h LEU 40 N 0.41 0.91 -0.43 3.11 5.85 -0.73 -1.15 115.31 123.28 1pkl h LEU 40 Ca 0.04 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1pkl h LEU 40 Cb 0.82 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1pkl h LEU 40 CO 0.07 1.14 0.09 0.40 -0.34 0.00 0.00 178.44 179.80 1pkl h ILE 41 N 0.69 1.24 -0.12 4.05 2.04 -0.91 -0.96 117.51 123.54 1pkl h ILE 41 Ca 0.08 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1pkl h ILE 41 Cb 0.83 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1pkl h ILE 41 CO 0.07 0.30 -0.15 1.56 0.00 0.00 0.00 178.15 179.93 1pkl h GLN 42 N 0.57 0.18 0.00 2.37 4.20 -0.94 -2.53 115.11 118.97 1pkl h GLN 42 Ca 0.13 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1pkl h GLN 42 Cb 0.35 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1pkl h GLN 42 CO 0.01 0.34 -0.40 0.77 -0.67 0.00 0.00 178.83 178.87 1pkl h SER 43 N 0.17 0.00 0.00 1.46 0.02 -0.87 -3.47 113.55 110.86 1pkl h SER 43 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1pkl h SER 43 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1pkl h SER 43 CO 0.02 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.72 1pkl n GLY 44 N 0.84 -0.96 3.72 -3.77 0.00 -0.75 -3.89 105.19 100.38 1pkl n GLY 44 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1pkl n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pkl s MET 45 N 0.00 4.43 -0.10 1.61 0.00 -0.44 -4.33 119.30 120.47 1pkl s MET 45 Ca 0.00 1.84 0.08 0.00 0.00 0.00 0.00 55.69 57.62 1pkl s MET 45 Cb 0.00 -3.30 -0.12 0.00 0.00 0.00 0.00 34.83 31.41 1pkl s MET 45 CO 0.00 -0.23 0.03 0.43 0.00 0.00 0.00 175.02 175.24 1pkl n SER 46 N 3.53 2.63 -4.03 1.11 7.64 -0.25 -4.66 113.62 119.58 1pkl n SER 46 Ca 0.08 -0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 1pkl n SER 46 Cb 0.45 0.69 -0.16 0.00 -1.01 0.00 0.00 64.21 64.18 1pkl n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pkl s VAL 47 N -2.24 0.94 -0.35 0.44 1.01 -1.11 -2.31 120.40 116.78 1pkl s VAL 47 Ca -0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1pkl s VAL 47 Cb 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1pkl s VAL 47 CO 0.39 0.28 0.19 0.00 0.00 0.00 0.00 175.10 175.97 1pkl s ALA 48 N 0.14 3.30 -0.12 5.51 0.00 -0.28 -1.03 121.76 129.28 1pkl s ALA 48 Ca -0.03 -1.58 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 1pkl s ALA 48 Cb -0.09 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1pkl s ALA 48 CO 0.01 -1.19 0.34 0.50 0.00 0.00 0.00 175.76 175.43 1pkl s ARG 49 N 1.59 4.16 -0.30 0.00 3.52 0.67 -1.56 118.95 127.03 1pkl s ARG 49 Ca 0.03 0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.78 1pkl s ARG 49 Cb -0.18 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 1pkl s ARG 49 CO 0.07 0.34 0.09 -1.64 -0.81 0.00 0.00 175.30 173.35 1pkl s MET 50 N 0.11 3.03 -0.63 5.12 -1.94 0.07 -1.40 119.30 123.65 1pkl s MET 50 Ca 0.20 -0.90 -0.25 0.00 -1.71 0.00 0.00 55.69 53.03 1pkl s MET 50 Cb -0.14 -3.39 0.04 0.00 2.01 0.00 0.00 34.83 33.35 1pkl s MET 50 CO 0.07 -0.48 1.08 1.21 -0.01 0.00 0.00 175.02 176.89 1pkl s ASN 51 N 1.49 6.27 0.00 3.03 3.84 -1.26 -0.42 114.94 127.88 1pkl s ASN 51 Ca 0.02 -0.46 0.12 0.00 0.21 0.00 0.00 52.86 52.75 1pkl s ASN 51 Cb -0.17 -2.48 0.72 0.00 -0.55 0.00 0.00 41.25 38.76 1pkl s ASN 51 CO 0.03 -1.49 1.41 0.49 -2.79 0.00 0.00 177.10 174.75 1pkl n PHE 52 N 8.20 0.00 1.76 0.43 3.01 -0.02 -3.45 117.46 127.39 1pkl n PHE 52 Ca 0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.54 1pkl n PHE 52 Cb 0.48 0.00 0.39 0.00 -0.01 0.00 0.00 39.48 40.33 1pkl n PHE 52 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pkl n SER 53 N -0.70 0.00 -3.84 4.37 3.41 -1.26 -4.57 113.62 111.02 1pkl n SER 53 Ca 0.09 -1.36 -0.09 0.00 -0.26 0.00 0.00 58.87 57.26 1pkl n SER 53 Cb 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1pkl n SER 53 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1pkl s HIS 54 N -2.00 -0.02 0.12 7.33 3.76 -1.22 -5.05 115.29 118.21 1pkl s HIS 54 Ca 0.19 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1pkl s HIS 54 Cb 0.09 0.44 0.00 0.00 1.11 0.00 0.00 32.58 34.22 1pkl s HIS 54 CO 0.15 -1.04 0.00 0.41 -0.85 0.00 0.00 174.74 173.41 1pkl n GLY 55 N -0.39 -3.31 3.86 -2.22 0.00 -1.26 -4.92 105.19 96.95 1pkl n GLY 55 Ca -0.06 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1pkl n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pkl s SER 56 N -2.46 5.24 0.55 1.61 1.04 -1.26 -4.87 113.70 113.56 1pkl s SER 56 Ca 0.00 1.23 0.26 0.00 0.48 0.00 0.00 55.95 57.92 1pkl s SER 56 Cb 0.00 -2.03 1.47 0.00 0.10 0.00 0.00 66.02 65.55 1pkl s SER 56 CO 0.00 -1.48 2.03 0.45 0.98 0.00 0.00 173.24 175.22 1pkl h HIS 57 N -0.75 0.00 -0.14 5.02 -0.00 -2.00 0.77 115.15 118.05 1pkl h HIS 57 Ca -0.45 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.75 1pkl h HIS 57 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.65 1pkl h HIS 57 CO 0.51 0.00 -0.61 1.49 -0.00 0.00 0.00 177.93 179.32 1pkl h GLU 58 N 0.00 0.49 -0.14 2.45 4.81 -1.99 -1.29 114.58 118.90 1pkl h GLU 58 Ca 0.17 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1pkl h GLU 58 Cb 0.77 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1pkl h GLU 58 CO -0.00 0.95 0.06 -0.92 -0.73 0.00 0.00 179.01 178.37 1pkl h TYR 59 N 0.36 0.22 0.00 0.92 3.20 -1.20 -2.59 116.97 117.87 1pkl h TYR 59 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1pkl h TYR 59 Cb 1.16 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1pkl h TYR 59 CO 0.04 0.28 -0.30 0.45 -1.64 0.00 0.00 178.16 177.00 1pkl h HIS 60 N 0.08 0.00 -0.30 -3.82 3.86 -1.45 -2.65 115.15 110.88 1pkl h HIS 60 Ca 0.05 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1pkl h HIS 60 Cb 0.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1pkl h HIS 60 CO -0.02 0.30 -0.22 0.37 0.86 0.00 0.00 177.93 179.22 1pkl h GLN 61 N 0.00 0.56 -0.46 2.45 5.75 -1.02 -0.50 115.11 121.89 1pkl h GLN 61 Ca -0.00 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.23 1pkl h GLN 61 Cb 0.81 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 1pkl h GLN 61 CO 0.04 0.74 0.05 1.15 -2.65 0.00 0.00 178.83 178.16 1pkl h THR 62 N 0.50 1.25 -0.40 2.39 2.02 -1.11 -0.96 112.91 116.60 1pkl h THR 62 Ca 0.08 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1pkl h THR 62 Cb 0.65 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1pkl h THR 62 CO 0.05 0.33 0.23 0.74 0.37 0.00 0.00 175.52 177.24 1pkl h THR 63 N 0.63 1.14 -0.25 3.16 2.02 -1.30 0.13 112.91 118.44 1pkl h THR 63 Ca 0.14 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1pkl h THR 63 Cb 0.43 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1pkl h THR 63 CO 0.01 0.14 0.11 0.40 0.37 0.00 0.00 175.52 176.55 1pkl h ILE 64 N 0.52 0.97 -0.48 3.11 2.04 -0.89 -0.26 117.51 122.52 1pkl h ILE 64 Ca 0.14 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 1pkl h ILE 64 Cb 0.02 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1pkl h ILE 64 CO -0.03 0.04 -0.14 0.78 0.00 0.00 0.00 178.15 178.81 1pkl h ASN 65 N 0.23 0.96 -0.11 1.72 2.35 -0.92 -2.08 115.58 117.73 1pkl h ASN 65 Ca 0.10 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.37 1pkl h ASN 65 Cb 0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1pkl h ASN 65 CO -0.09 1.11 -0.31 0.78 -1.65 0.00 0.00 177.43 177.27 1pkl h ASN 66 N 0.80 0.61 -0.36 5.81 2.35 -0.55 -1.51 115.58 122.73 1pkl h ASN 66 Ca 0.12 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1pkl h ASN 66 Cb 0.70 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1pkl h ASN 66 CO 0.05 0.88 -0.09 0.58 -1.65 0.00 0.00 177.43 177.20 1pkl h VAL 67 N 0.51 1.28 -0.22 2.81 2.07 -1.01 0.11 116.25 121.79 1pkl h VAL 67 Ca 0.06 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1pkl h VAL 67 Cb 0.79 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1pkl h VAL 67 CO 0.06 0.38 0.06 -0.09 0.02 0.00 0.00 177.57 178.01 1pkl h ARG 68 N 0.50 0.31 0.13 1.57 9.65 -1.22 -0.78 114.38 124.53 1pkl h ARG 68 Ca 0.09 -0.04 -0.35 0.00 -1.10 0.00 0.00 59.98 58.59 1pkl h ARG 68 Cb 0.61 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1pkl h ARG 68 CO 0.04 0.29 -1.83 0.37 2.80 0.00 0.00 179.97 181.64 1pkl h GLN 69 N 0.31 0.28 -0.51 0.20 4.15 -1.14 -3.00 115.11 115.41 1pkl h GLN 69 Ca 0.08 -0.48 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 1pkl h GLN 69 Cb 0.12 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1pkl h GLN 69 CO -0.00 1.17 0.17 0.00 -1.93 0.00 0.00 178.83 178.23 1pkl h ALA 70 N 0.23 0.66 -0.35 3.38 0.00 -0.81 -1.01 119.26 121.37 1pkl h ALA 70 Ca -0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1pkl h ALA 70 Cb 2.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1pkl h ALA 70 CO 0.13 0.31 0.07 0.00 0.00 0.00 0.00 179.25 179.76 1pkl h ALA 71 N 1.02 0.47 -0.77 0.00 0.00 -1.30 -2.70 119.26 115.98 1pkl h ALA 71 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 71 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1pkl h ALA 71 CO -0.01 0.16 0.50 0.00 0.00 0.00 0.00 179.25 179.90 1pkl h ALA 72 N 0.91 0.99 0.00 0.00 0.00 -1.41 -0.31 119.26 119.43 1pkl h ALA 72 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 72 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pkl h ALA 72 CO 0.00 0.35 0.00 0.93 0.00 0.00 0.00 179.25 180.53 1pkl h GLU 73 N 1.00 0.00 -0.04 0.00 5.08 -0.96 -2.26 114.58 117.40 1pkl h GLU 73 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1pkl h GLU 73 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1pkl h GLU 73 CO -0.08 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.21 1pkl n LEU 74 N -2.48 1.62 -1.93 1.33 4.77 -0.94 -5.01 117.00 114.35 1pkl n LEU 74 Ca 0.00 -1.30 -0.16 0.00 -0.03 0.00 0.00 56.01 54.52 1pkl n LEU 74 Cb 0.18 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1pkl n LEU 74 CO 0.19 0.38 -0.15 0.61 -1.33 0.00 0.00 177.39 177.08 1pkl n GLY 75 N 0.10 -0.27 3.74 -0.72 0.00 -0.24 -5.02 105.19 102.79 1pkl n GLY 75 Ca 0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1pkl n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 76 N -2.85 1.35 -0.20 1.61 -7.23 -0.55 -5.02 120.40 107.52 1pkl s VAL 76 Ca 0.06 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1pkl s VAL 76 Cb -0.02 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1pkl s VAL 76 CO 0.07 0.00 -0.16 0.20 -0.31 0.00 0.00 175.10 174.90 1pkl s ASN 77 N -3.86 3.52 -0.11 4.85 0.01 -1.26 -4.38 114.94 113.70 1pkl s ASN 77 Ca 0.13 -0.74 0.02 0.00 -0.71 0.00 0.00 52.86 51.55 1pkl s ASN 77 Cb 0.03 -1.53 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 1pkl s ASN 77 CO 0.07 -0.04 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.80 1pkl s ILE 78 N 1.29 2.55 0.46 0.60 -1.09 -1.26 -4.76 121.20 118.98 1pkl s ILE 78 Ca 0.03 -0.85 -0.22 0.00 -2.23 0.00 0.00 60.65 57.39 1pkl s ILE 78 Cb -0.14 -2.02 -0.08 0.00 -1.58 0.00 0.00 42.46 38.63 1pkl s ILE 78 CO -0.10 0.54 1.06 0.00 -1.23 0.00 0.00 174.94 175.21 1pkl s ALA 79 N 0.33 2.93 -0.17 9.38 0.00 -0.98 -4.91 121.76 128.35 1pkl s ALA 79 Ca -0.15 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1pkl s ALA 79 Cb -0.17 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1pkl s ALA 79 CO 0.07 -0.37 -0.17 0.42 0.00 0.00 0.00 175.76 175.72 1pkl s ILE 80 N -1.82 2.42 -0.07 0.00 1.01 -1.26 -1.12 121.20 120.36 1pkl s ILE 80 Ca 0.65 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.50 1pkl s ILE 80 Cb -0.20 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1pkl s ILE 80 CO 0.24 0.52 -0.19 0.00 0.00 0.00 0.00 174.94 175.51 1pkl s ALA 81 N 1.04 2.41 -0.38 9.38 0.00 -0.60 -1.03 121.76 132.58 1pkl s ALA 81 Ca -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1pkl s ALA 81 Cb -0.14 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 22.16 1pkl s ALA 81 CO -0.05 0.43 0.19 -1.17 0.00 0.00 0.00 175.76 175.16 1pkl s LEU 82 N -0.24 4.75 -0.43 0.00 0.20 -0.75 -0.75 118.68 121.45 1pkl s LEU 82 Ca -0.00 -1.21 -0.22 0.00 0.69 0.00 0.00 54.13 53.39 1pkl s LEU 82 Cb -0.13 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.68 1pkl s LEU 82 CO 0.03 -0.42 0.71 -0.62 -0.29 0.00 0.00 176.35 175.76 1pkl s ASP 83 N 1.69 6.39 0.55 3.68 -1.08 0.43 -1.04 116.67 127.30 1pkl s ASP 83 Ca 0.01 -0.13 -0.21 0.00 -0.52 0.00 0.00 52.55 51.71 1pkl s ASP 83 Cb -0.20 -2.35 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 1pkl s ASP 83 CO 0.04 -0.80 1.27 -0.89 0.52 0.00 0.00 175.17 175.31 1pkl s THR 84 N 3.01 2.41 0.10 1.71 2.01 -0.75 -0.84 115.64 123.28 1pkl s THR 84 Ca 0.26 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 1pkl s THR 84 Cb -0.13 -3.13 -0.21 0.00 0.01 0.00 0.00 72.50 69.03 1pkl s THR 84 CO 0.20 -0.02 1.24 0.50 -0.69 0.00 0.00 174.62 175.84 1pkl h LYS 85 N 1.31 0.63 -1.18 4.92 3.64 -1.90 -3.39 116.57 120.59 1pkl h LYS 85 Ca -0.50 -0.65 0.14 0.00 -1.27 0.00 0.00 60.65 58.36 1pkl h LYS 85 Cb 1.29 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 1pkl h LYS 85 CO 0.57 1.25 -0.23 0.41 -2.27 0.00 0.00 179.45 179.18 1pkl n GLY 86 N 1.00 -1.71 3.75 5.01 0.00 -1.26 -4.87 105.19 107.12 1pkl n GLY 86 Ca -0.09 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1pkl n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pkl n PRO 87 N -2.47 1.99 -3.68 1.61 -0.04 -1.26 -4.86 135.00 126.29 1pkl n PRO 87 Ca -0.00 0.72 -0.17 0.00 -0.04 0.00 0.00 63.50 64.01 1pkl n PRO 87 Cb 0.24 -2.61 -0.16 0.00 -0.04 0.00 0.00 33.50 30.93 1pkl n PRO 87 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1pkl s GLU 88 N -2.67 0.02 -0.44 0.54 2.12 -1.26 -4.99 118.70 112.02 1pkl s GLU 88 Ca 0.66 0.48 -0.18 0.00 0.36 0.00 0.00 54.97 56.29 1pkl s GLU 88 Cb -0.43 -0.30 0.03 0.00 0.26 0.00 0.00 34.13 33.68 1pkl s GLU 88 CO 0.53 -0.28 0.51 0.42 -0.54 0.00 0.00 175.26 175.90 1pkl s ILE 89 N 2.04 5.00 0.13 -3.70 1.01 -1.26 -4.99 121.20 119.42 1pkl s ILE 89 Ca 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1pkl s ILE 89 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1pkl s ILE 89 CO -0.05 -0.53 -0.18 -0.13 0.00 0.00 0.00 174.94 174.05 1pkl s ARG 90 N 2.36 1.14 1.05 2.79 0.52 -1.26 0.23 118.95 125.77 1pkl s ARG 90 Ca 0.15 -1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 53.93 1pkl s ARG 90 Cb -0.17 -1.21 0.23 0.00 0.52 0.00 0.00 34.95 34.31 1pkl s ARG 90 CO 0.14 0.26 1.22 0.95 0.02 0.00 0.00 175.30 177.89 1pkl s THR 91 N -1.75 1.85 0.00 0.02 -4.23 -0.54 -2.39 115.64 108.59 1pkl s THR 91 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1pkl s THR 91 Cb -0.07 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1pkl s THR 91 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1pkl n GLY 92 N -2.55 0.60 3.95 3.99 0.00 -0.77 -4.11 105.19 106.30 1pkl n GLY 92 Ca 0.14 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1pkl n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkl s GLN 93 N 0.07 2.71 0.17 1.61 -0.21 -0.27 -2.81 119.66 120.93 1pkl s GLN 93 Ca 0.00 -0.48 0.09 0.00 0.02 0.00 0.00 55.36 54.99 1pkl s GLN 93 Cb 0.00 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 1pkl s GLN 93 CO 0.00 -0.66 -0.18 -0.06 -2.12 0.00 0.00 175.29 172.27 1pkl s PHE 94 N -2.82 1.84 -0.30 0.91 0.08 -1.26 -2.25 117.98 114.18 1pkl s PHE 94 Ca 0.54 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.83 1pkl s PHE 94 Cb -0.10 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.44 1pkl s PHE 94 CO 0.40 0.35 1.31 0.08 -0.10 0.00 0.00 175.22 177.26 1pkl s VAL 95 N -2.14 4.13 0.00 -0.44 1.01 0.63 -1.54 120.40 122.05 1pkl s VAL 95 Ca 0.17 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1pkl s VAL 95 Cb -0.05 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1pkl s VAL 95 CO 0.07 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.31 1pkl n GLY 96 N 4.32 0.73 2.30 4.51 0.00 -1.26 -4.12 105.19 111.67 1pkl n GLY 96 Ca 0.15 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1pkl n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkl n GLY 97 N -2.48 0.10 3.40 -0.02 0.00 -0.59 -4.91 105.19 100.69 1pkl n GLY 97 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1pkl n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkl s ASP 98 N -2.07 -0.35 -0.29 1.61 2.15 -1.26 -3.90 116.67 112.56 1pkl s ASP 98 Ca 0.00 -0.25 0.05 0.00 0.43 0.00 0.00 52.55 52.78 1pkl s ASP 98 Cb 0.00 0.54 0.20 0.00 -0.30 0.00 0.00 42.92 43.36 1pkl s ASP 98 CO 0.00 -0.94 0.60 0.00 -0.17 0.00 0.00 175.17 174.67 1pkl s ALA 99 N -3.80 -2.44 -0.67 3.66 0.00 -0.76 -4.44 121.76 113.31 1pkl s ALA 99 Ca 0.04 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 1pkl s ALA 99 Cb 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1pkl s ALA 99 CO -0.10 -1.79 1.43 0.08 0.00 0.00 0.00 175.76 175.38 1pkl s VAL 100 N 2.84 3.66 0.24 0.00 1.01 -1.26 -2.52 120.40 124.36 1pkl s VAL 100 Ca 0.11 0.42 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1pkl s VAL 100 Cb -0.10 -4.61 -0.09 0.00 0.00 0.00 0.00 36.38 31.59 1pkl s VAL 100 CO -0.25 -1.50 0.84 -0.04 0.00 0.00 0.00 175.10 174.14 1pkl s MET 101 N 5.97 4.55 0.02 2.72 -1.94 -0.74 -4.94 119.30 124.94 1pkl s MET 101 Ca 0.46 1.19 0.04 0.00 -1.71 0.00 0.00 55.69 55.66 1pkl s MET 101 Cb -0.10 -3.04 -0.01 0.00 2.01 0.00 0.00 34.83 33.69 1pkl s MET 101 CO 0.18 0.44 -0.11 -1.21 -0.01 0.00 0.00 175.02 174.31 1pkl s GLU 102 N -1.61 0.78 0.20 2.03 2.02 -1.26 -1.89 118.70 118.97 1pkl s GLU 102 Ca 0.42 -0.55 -0.32 0.00 0.02 0.00 0.00 54.97 54.55 1pkl s GLU 102 Cb -0.21 -0.74 -0.15 0.00 0.10 0.00 0.00 34.13 33.13 1pkl s GLU 102 CO 0.25 0.19 1.16 -2.13 0.02 0.00 0.00 175.26 174.75 1pkl n ARG 103 N 2.29 1.29 0.00 1.61 0.63 -1.26 -1.01 116.66 120.21 1pkl n ARG 103 Ca -0.16 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 1pkl n ARG 103 Cb 0.56 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1pkl n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pkl n GLY 104 N 1.89 2.87 3.73 5.14 0.00 0.15 -4.97 105.19 114.00 1pkl n GLY 104 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1pkl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ALA 105 N -2.04 2.22 -0.08 4.61 0.00 -0.18 -4.65 121.76 121.63 1pkl s ALA 105 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 1pkl s ALA 105 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1pkl s ALA 105 CO 0.00 -1.70 -0.04 0.99 0.00 0.00 0.00 175.76 175.01 1pkl s THR 106 N -1.99 3.98 0.18 0.00 2.01 -1.26 0.20 115.64 118.76 1pkl s THR 106 Ca 0.74 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 1pkl s THR 106 Cb -0.28 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1pkl s THR 106 CO 0.43 0.59 0.26 0.00 -0.69 0.00 0.00 174.62 175.21 1pkl s TYR 108 N -4.02 2.19 -0.26 0.00 2.02 0.41 -0.92 117.35 116.77 1pkl s TYR 108 Ca 0.22 -1.11 -0.08 0.00 -0.37 0.00 0.00 57.07 55.73 1pkl s TYR 108 Cb 0.04 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 1pkl s TYR 108 CO 0.03 -0.57 0.09 0.08 -1.57 0.00 0.00 175.55 173.61 1pkl s VAL 109 N 1.09 4.37 0.23 0.71 1.01 -0.46 -1.44 120.40 125.91 1pkl s VAL 109 Ca -0.03 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1pkl s VAL 109 Cb -0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1pkl s VAL 109 CO -0.04 0.29 -0.15 0.28 0.00 0.00 0.00 175.10 175.48 1pkl s THR 110 N 1.61 1.88 -0.48 3.92 -1.32 -0.32 0.22 115.64 121.16 1pkl s THR 110 Ca 0.06 -2.24 0.13 0.00 -1.21 0.00 0.00 61.69 58.43 1pkl s THR 110 Cb -0.15 -2.14 0.38 0.00 -1.51 0.00 0.00 72.50 69.08 1pkl s THR 110 CO 0.04 -0.52 1.31 1.07 -2.21 0.00 0.00 174.62 174.30 1pkl n THR 111 N -0.45 1.62 -2.55 5.08 5.66 0.10 -2.33 114.28 121.41 1pkl n THR 111 Ca -0.07 -1.46 -0.43 0.00 -3.05 0.00 0.00 64.05 59.04 1pkl n THR 111 Cb 0.61 0.12 -0.02 0.00 -1.55 0.00 0.00 70.33 69.49 1pkl n THR 111 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pkl s ASP 112 N -1.52 7.04 0.62 1.09 2.15 -1.26 -4.92 116.67 119.86 1pkl s ASP 112 Ca 0.30 1.54 0.33 0.00 0.43 0.00 0.00 52.55 55.16 1pkl s ASP 112 Cb 0.22 -2.54 1.85 0.00 -0.30 0.00 0.00 42.92 42.15 1pkl s ASP 112 CO 0.11 -0.70 2.15 -0.65 -0.17 0.00 0.00 175.17 175.92 1pkl h PRO 113 N 7.76 0.00 0.00 4.34 0.11 -1.98 -2.78 132.00 139.45 1pkl h PRO 113 Ca -0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1pkl h PRO 113 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1pkl h PRO 113 CO 0.96 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.62 1pkl h ALA 114 N 1.78 1.37 -0.37 -0.75 0.00 -2.01 -2.55 119.26 116.73 1pkl h ALA 114 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pkl h ALA 114 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pkl h ALA 114 CO -0.00 0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.61 1pkl n PHE 115 N -3.79 0.99 0.16 0.00 3.01 -1.05 -4.23 117.46 112.55 1pkl n PHE 115 Ca -0.02 -0.38 0.01 0.00 1.01 0.00 0.00 57.45 58.08 1pkl n PHE 115 Cb 0.24 -0.22 0.26 0.00 -0.01 0.00 0.00 39.48 39.75 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl h ALA 116 N 3.41 1.09 0.00 4.37 0.00 -1.65 -3.21 119.26 123.26 1pkl h ALA 116 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pkl h ALA 116 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1pkl h ALA 116 CO 0.18 0.63 -0.52 -0.40 0.00 0.00 0.00 179.25 179.14 1pkl n ASP 117 N -3.82 0.83 -2.35 0.00 5.68 -1.26 -1.12 116.55 114.51 1pkl n ASP 117 Ca -0.01 -0.57 -0.30 0.00 -0.50 0.00 0.00 54.79 53.41 1pkl n ASP 117 Cb 0.54 1.06 0.03 0.00 -1.14 0.00 0.00 41.12 41.61 1pkl n ASP 117 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pkl n LYS 118 N -1.28 3.20 -2.92 0.11 5.02 -1.21 -4.57 118.16 116.52 1pkl n LYS 118 Ca 0.01 -3.92 -0.34 0.00 -2.02 0.00 0.00 58.31 52.03 1pkl n LYS 118 Cb 0.13 -2.27 -0.07 0.00 -0.02 0.00 0.00 35.03 32.80 1pkl n LYS 118 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pkl s GLY 119 N -2.74 2.52 0.22 0.72 0.00 -0.95 -4.85 107.32 102.23 1pkl s GLY 119 Ca 0.54 0.32 -0.05 0.00 0.00 0.00 0.00 44.72 45.53 1pkl s GLY 119 CO -0.10 0.64 0.26 -0.51 0.00 0.00 0.00 173.10 173.39 1pkl s THR 120 N -1.90 0.00 0.04 0.90 -4.23 -0.59 -0.27 115.64 109.59 1pkl s THR 120 Ca 0.55 -1.78 0.30 0.00 -1.18 0.00 0.00 61.69 59.57 1pkl s THR 120 Cb -0.13 -2.39 0.30 0.00 1.34 0.00 0.00 72.50 71.62 1pkl s THR 120 CO 0.18 0.00 1.91 0.07 -0.54 0.00 0.00 174.62 176.23 1pkl h LYS 121 N 2.48 0.00 0.12 3.99 2.10 -1.91 -2.70 116.57 120.64 1pkl h LYS 121 Ca -0.32 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.04 1pkl h LYS 121 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1pkl h LYS 121 CO 0.46 0.00 -1.45 -0.44 -2.00 0.00 0.00 179.45 176.02 1pkl h ASP 122 N 0.00 0.38 -3.10 7.07 3.32 -1.92 -3.43 116.42 118.74 1pkl h ASP 122 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.08 1pkl h ASP 122 Cb 0.10 -0.12 -0.27 0.00 0.22 0.00 0.00 39.33 39.25 1pkl h ASP 122 CO 0.00 1.63 -0.32 -0.75 -1.72 0.00 0.00 179.24 178.08 1pkl s LYS 123 N -2.48 0.37 0.22 3.56 2.20 -1.02 0.16 119.74 122.74 1pkl s LYS 123 Ca -0.20 0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 56.19 1pkl s LYS 123 Cb 0.05 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1pkl s LYS 123 CO 0.76 -0.18 0.23 -0.59 -0.36 0.00 0.00 175.35 175.22 1pkl s PHE 124 N 1.62 0.99 0.34 4.03 -0.71 -0.52 -1.54 117.98 122.19 1pkl s PHE 124 Ca -0.08 -1.23 -0.02 0.00 -1.04 0.00 0.00 56.93 54.56 1pkl s PHE 124 Cb -0.09 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1pkl s PHE 124 CO -0.12 -0.75 0.58 -0.47 -1.34 0.00 0.00 175.22 173.11 1pkl s TYR 125 N -4.06 3.50 -0.21 3.49 5.04 -1.25 -1.17 117.35 122.69 1pkl s TYR 125 Ca 0.35 0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 55.43 1pkl s TYR 125 Cb 0.05 -2.01 0.10 0.00 0.35 0.00 0.00 41.96 40.45 1pkl s TYR 125 CO 0.12 0.09 0.29 0.42 -1.34 0.00 0.00 175.55 175.14 1pkl s ILE 126 N -2.29 -0.45 -1.88 3.14 1.01 -0.98 -1.85 121.20 117.90 1pkl s ILE 126 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1pkl s ILE 126 Cb -0.10 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1pkl s ILE 126 CO 0.35 -0.11 0.32 -0.90 0.00 0.00 0.00 174.94 174.60 1pkl n ASP 127 N 5.34 0.00 -4.41 3.58 5.68 -1.01 -4.45 116.55 121.29 1pkl n ASP 127 Ca -0.05 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.80 1pkl n ASP 127 Cb 0.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1pkl n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pkl s TYR 128 N -1.92 2.95 -0.99 2.11 5.04 -1.26 -4.90 117.35 118.38 1pkl s TYR 128 Ca 0.00 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1pkl s TYR 128 Cb 0.00 -4.14 0.02 0.00 0.35 0.00 0.00 41.96 38.19 1pkl s TYR 128 CO 0.00 -1.43 1.01 1.04 -1.34 0.00 0.00 175.55 174.84 1pkl n GLN 129 N 6.69 0.00 -0.29 4.97 6.02 -1.26 -1.79 117.38 131.73 1pkl n GLN 129 Ca -0.01 0.50 0.07 0.00 -0.01 0.00 0.00 57.00 57.55 1pkl n GLN 129 Cb 0.45 -1.51 0.19 0.00 1.02 0.00 0.00 30.24 30.40 1pkl n GLN 129 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pkl n ASN 130 N -1.51 3.30 0.26 1.08 3.02 -1.26 -4.70 115.26 115.45 1pkl n ASN 130 Ca 0.00 -2.52 0.14 0.00 -0.03 0.00 0.00 54.58 52.17 1pkl n ASN 130 Cb 0.00 -0.37 0.73 0.00 -0.61 0.00 0.00 39.78 39.53 1pkl n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pkl h LEU 131 N 1.73 0.00 0.00 3.41 5.85 -1.73 -2.87 115.31 121.70 1pkl h LEU 131 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1pkl h LEU 131 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1pkl h LEU 131 CO 0.10 0.00 -1.75 -1.20 -0.34 0.00 0.00 178.44 175.25 1pkl n SER 132 N -2.60 0.38 0.03 1.25 7.64 -1.26 -2.58 113.62 116.49 1pkl n SER 132 Ca -0.02 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1pkl n SER 132 Cb 0.25 1.03 0.12 0.00 -1.01 0.00 0.00 64.21 64.60 1pkl n SER 132 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1pkl n LYS 133 N -2.60 0.21 -0.08 1.43 2.85 -1.09 -4.29 118.16 114.58 1pkl n LYS 133 Ca -0.11 0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.07 1pkl n LYS 133 Cb 0.76 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 33.49 1pkl n LYS 133 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1pkl h VAL 134 N 0.00 0.36 -4.24 0.58 2.07 -1.69 -3.48 116.25 109.85 1pkl h VAL 134 Ca 0.00 -1.43 -0.50 0.00 0.82 0.00 0.00 66.70 65.59 1pkl h VAL 134 Cb 0.67 0.84 0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1pkl h VAL 134 CO 0.00 0.12 0.38 -0.69 0.02 0.00 0.00 177.57 177.40 1pkl s VAL 135 N -2.23 3.94 0.17 2.57 1.01 -1.06 -4.87 120.40 119.92 1pkl s VAL 135 Ca -0.19 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1pkl s VAL 135 Cb 0.03 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1pkl s VAL 135 CO 0.34 -0.64 0.06 -0.13 0.00 0.00 0.00 175.10 174.73 1pkl s ARG 136 N -4.40 1.08 -0.18 2.72 0.52 -1.26 -4.86 118.95 112.57 1pkl s ARG 136 Ca 0.61 -1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 53.99 1pkl s ARG 136 Cb -0.15 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.34 1pkl s ARG 136 CO 0.42 -0.25 1.51 -1.25 0.02 0.00 0.00 175.30 175.75 1pkl s PRO 137 N -4.03 3.99 0.00 3.54 0.04 -1.26 -2.42 135.00 134.86 1pkl s PRO 137 Ca 0.28 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1pkl s PRO 137 Cb 0.07 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1pkl s PRO 137 CO 0.06 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.45 1pkl n GLY 138 N 4.28 1.71 3.70 0.56 0.00 0.79 -4.96 105.19 111.27 1pkl n GLY 138 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1pkl n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pkl s ASN 139 N -1.44 2.92 0.16 1.61 0.02 -1.01 -4.76 114.94 112.42 1pkl s ASN 139 Ca 0.00 1.21 0.10 0.00 -1.02 0.00 0.00 52.86 53.15 1pkl s ASN 139 Cb 0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 41.25 39.36 1pkl s ASN 139 CO 0.00 -2.95 -0.22 -0.31 0.02 0.00 0.00 177.10 173.64 1pkl s TYR 140 N -3.01 2.39 -0.18 2.20 2.02 -1.26 -1.45 117.35 118.06 1pkl s TYR 140 Ca 0.65 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1pkl s TYR 140 Cb -0.18 -1.23 0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1pkl s TYR 140 CO 0.57 0.43 -0.06 0.42 -1.57 0.00 0.00 175.55 175.33 1pkl s ILE 141 N -1.38 1.26 -0.14 2.71 1.01 0.24 -4.23 121.20 120.66 1pkl s ILE 141 Ca 0.19 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1pkl s ILE 141 Cb -0.09 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1pkl s ILE 141 CO 0.09 0.12 0.29 -0.31 0.00 0.00 0.00 174.94 175.13 1pkl s TYR 142 N 1.56 3.49 -0.02 3.97 2.02 -0.38 -1.55 117.35 126.44 1pkl s TYR 142 Ca -0.00 0.63 0.03 0.00 -0.37 0.00 0.00 57.07 57.36 1pkl s TYR 142 Cb -0.16 -2.31 -0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1pkl s TYR 142 CO -0.08 0.30 -0.11 0.42 -1.57 0.00 0.00 175.55 174.52 1pkl s ILE 143 N 0.24 0.91 -0.23 2.71 1.01 -0.08 0.27 121.20 126.03 1pkl s ILE 143 Ca 0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1pkl s ILE 143 Cb -0.13 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1pkl s ILE 143 CO 0.05 0.27 0.32 -0.67 0.00 0.00 0.00 174.94 174.90 1pkl n ASP 144 N 3.06 -5.29 -0.91 3.58 2.03 0.10 -1.57 116.55 117.55 1pkl n ASP 144 Ca -0.16 0.32 -0.10 0.00 0.52 0.00 0.00 54.79 55.36 1pkl n ASP 144 Cb 0.55 -3.43 -0.04 0.00 -0.72 0.00 0.00 41.12 37.48 1pkl n ASP 144 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pkl n ASP 145 N -0.36 -4.65 0.00 1.67 2.03 -1.26 -0.71 116.55 113.28 1pkl n ASP 145 Ca 0.06 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1pkl n ASP 145 Cb 0.24 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.01 1pkl n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkl n GLY 146 N 0.12 0.57 0.11 0.27 0.00 -1.25 -4.96 105.19 100.06 1pkl n GLY 146 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1pkl n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pkl h ILE 147 N 0.00 1.38 -3.31 -0.61 2.04 -0.89 -3.44 117.51 112.68 1pkl h ILE 147 Ca 0.00 -1.34 -0.57 0.00 1.00 0.00 0.00 64.86 63.94 1pkl h ILE 147 Cb 0.00 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1pkl h ILE 147 CO 0.00 0.38 -0.06 -0.22 0.00 0.00 0.00 178.15 178.25 1pkl s LEU 148 N -9.06 4.34 -0.04 1.44 2.96 -0.61 -4.97 118.68 112.75 1pkl s LEU 148 Ca -0.15 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 1pkl s LEU 148 Cb 0.04 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 1pkl s LEU 148 CO 0.73 0.03 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.95 1pkl s ILE 149 N 0.28 1.80 -0.03 6.68 1.01 -1.26 -0.90 121.20 128.77 1pkl s ILE 149 Ca 0.29 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1pkl s ILE 149 Cb -0.17 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1pkl s ILE 149 CO 0.14 0.51 -0.04 -0.76 0.00 0.00 0.00 174.94 174.78 1pkl s LEU 150 N -0.28 1.45 -0.28 2.97 1.43 -0.60 -2.05 118.68 121.32 1pkl s LEU 150 Ca 0.02 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1pkl s LEU 150 Cb -0.11 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 1pkl s LEU 150 CO 0.01 -0.03 0.18 -1.58 0.23 0.00 0.00 176.35 175.17 1pkl s GLN 151 N 0.71 3.91 0.16 1.70 0.74 -0.79 -0.60 119.66 125.49 1pkl s GLN 151 Ca -0.09 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.66 1pkl s GLN 151 Cb -0.12 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.25 1pkl s GLN 151 CO 0.00 -0.19 1.54 0.08 -0.55 0.00 0.00 175.29 176.17 1pkl s VAL 152 N 1.75 2.70 -0.15 1.34 1.01 -0.53 -1.84 120.40 124.67 1pkl s VAL 152 Ca 0.07 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1pkl s VAL 152 Cb -0.16 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 1pkl s VAL 152 CO 0.10 0.04 -0.13 0.00 0.00 0.00 0.00 175.10 175.11 1pkl n GLN 153 N 3.88 0.44 -3.83 2.72 6.02 0.19 -0.15 117.38 126.65 1pkl n GLN 153 Ca 0.13 0.09 -0.04 0.00 -0.01 0.00 0.00 57.00 57.17 1pkl n GLN 153 Cb 0.39 -1.31 0.01 0.00 1.02 0.00 0.00 30.24 30.35 1pkl n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pkl s SER 154 N -5.48 -0.05 -0.21 1.08 1.04 -1.18 -4.69 113.70 104.21 1pkl s SER 154 Ca -0.21 -0.64 -0.10 0.00 0.48 0.00 0.00 55.95 55.48 1pkl s SER 154 Cb 0.05 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1pkl s SER 154 CO 0.36 -1.04 0.13 -1.00 0.98 0.00 0.00 173.24 172.67 1pkl s HIS 155 N -2.52 3.37 -0.09 5.02 3.76 -1.26 -0.97 115.29 122.60 1pkl s HIS 155 Ca 0.18 0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 55.37 1pkl s HIS 155 Cb -0.02 -2.17 -0.00 0.00 1.11 0.00 0.00 32.58 31.49 1pkl s HIS 155 CO 0.05 0.23 -0.01 0.93 -0.85 0.00 0.00 174.74 175.09 1pkl h GLU 156 N 6.83 0.00 0.00 1.40 4.39 -1.29 -3.46 114.58 122.44 1pkl h GLU 156 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1pkl h GLU 156 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1pkl h GLU 156 CO 0.73 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.18 1pkl n ASP 157 N -4.34 0.65 0.00 1.42 5.68 -1.19 -4.98 116.55 113.79 1pkl n ASP 157 Ca -0.00 -0.16 0.11 0.00 -0.50 0.00 0.00 54.79 54.24 1pkl n ASP 157 Cb 0.01 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.52 1pkl n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pkl n GLU 158 N 0.00 0.13 -0.00 0.11 1.02 -1.26 -3.70 120.64 116.94 1pkl n GLU 158 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1pkl n GLU 158 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1pkl n GLU 158 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pkl n GLN 159 N -1.42 0.19 -4.41 3.49 6.02 -1.26 -4.86 117.38 115.13 1pkl n GLN 159 Ca 0.08 -0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.76 1pkl n GLN 159 Cb 0.24 -0.99 -0.11 0.00 1.02 0.00 0.00 30.24 30.40 1pkl n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1pkl s THR 160 N -1.98 3.13 -0.02 5.09 2.01 -1.24 -0.73 115.64 121.90 1pkl s THR 160 Ca -0.00 -1.21 0.06 0.00 0.31 0.00 0.00 61.69 60.85 1pkl s THR 160 Cb 0.00 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1pkl s THR 160 CO 0.01 0.22 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.20 1pkl s LEU 161 N -1.83 2.03 -0.23 4.42 1.43 0.13 -0.79 118.68 123.85 1pkl s LEU 161 Ca 0.18 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 1pkl s LEU 161 Cb -0.11 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1pkl s LEU 161 CO 0.09 0.25 0.47 -0.70 0.23 0.00 0.00 176.35 176.69 1pkl s GLU 162 N -0.45 4.13 0.18 1.70 2.12 -0.14 -1.35 118.70 124.89 1pkl s GLU 162 Ca 0.07 0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.77 1pkl s GLU 162 Cb -0.08 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1pkl s GLU 162 CO -0.01 -0.20 -0.15 0.00 -0.54 0.00 0.00 175.26 174.36 1pkl s THR 164 N -2.73 3.61 -0.53 0.00 2.01 -0.77 -1.54 115.64 115.69 1pkl s THR 164 Ca 0.19 -0.49 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 1pkl s THR 164 Cb -0.02 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1pkl s THR 164 CO 0.06 0.55 1.04 -0.69 -0.69 0.00 0.00 174.62 174.89 1pkl s VAL 165 N -0.21 4.26 -0.62 3.82 1.01 0.13 -1.88 120.40 126.91 1pkl s VAL 165 Ca 0.03 0.71 0.25 0.00 0.00 0.00 0.00 61.98 62.97 1pkl s VAL 165 Cb -0.13 -4.58 0.28 0.00 0.00 0.00 0.00 36.38 31.95 1pkl s VAL 165 CO 0.03 -1.11 1.76 0.71 0.00 0.00 0.00 175.10 176.48 1pkl h THR 166 N 6.11 0.00 -2.50 3.92 1.35 -1.73 0.42 112.91 120.48 1pkl h THR 166 Ca -0.25 -0.43 -0.09 0.00 -0.55 0.00 0.00 66.41 65.09 1pkl h THR 166 Cb 1.07 1.36 -0.22 0.00 -1.73 0.00 0.00 68.15 68.63 1pkl h THR 166 CO 1.11 0.00 -0.09 0.54 -0.25 0.00 0.00 175.52 176.83 1pkl s ASN 167 N -4.57 -0.50 0.14 5.36 4.22 -1.26 -4.73 114.94 113.60 1pkl s ASN 167 Ca 0.08 0.84 -0.31 0.00 -2.14 0.00 0.00 52.86 51.33 1pkl s ASN 167 Cb 0.11 0.86 -0.08 0.00 1.28 0.00 0.00 41.25 43.42 1pkl s ASN 167 CO 0.54 -0.29 1.33 -0.44 -2.04 0.00 0.00 177.10 176.20 1pkl s SER 168 N -0.22 6.89 -0.29 3.54 0.01 -1.26 -4.37 113.70 118.00 1pkl s SER 168 Ca -0.04 2.32 -0.22 0.00 1.31 0.00 0.00 55.95 59.32 1pkl s SER 168 Cb -0.03 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.75 1pkl s SER 168 CO 0.03 -0.58 1.12 -2.28 0.41 0.00 0.00 173.24 171.94 1pkl s HIS 169 N 0.68 -0.39 -0.17 2.43 5.04 -0.79 -4.94 115.29 117.15 1pkl s HIS 169 Ca 0.61 0.88 -0.13 0.00 -1.54 0.00 0.00 55.06 54.88 1pkl s HIS 169 Cb -0.36 0.36 -0.05 0.00 0.04 0.00 0.00 32.58 32.58 1pkl s HIS 169 CO 0.33 -0.19 0.27 0.99 -2.34 0.00 0.00 174.74 173.80 1pkl s THR 170 N 0.52 5.32 -0.04 0.89 2.01 -1.26 -1.79 115.64 121.29 1pkl s THR 170 Ca 0.00 0.48 0.07 0.00 0.31 0.00 0.00 61.69 62.55 1pkl s THR 170 Cb -0.04 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1pkl s THR 170 CO -0.11 0.38 -0.25 0.27 -0.69 0.00 0.00 174.62 174.23 1pkl s ILE 171 N 0.56 1.98 0.00 1.82 -4.36 -1.05 -4.98 121.20 115.17 1pkl s ILE 171 Ca 0.15 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1pkl s ILE 171 Cb -0.13 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.92 1pkl s ILE 171 CO 0.03 0.56 0.00 -1.54 0.24 0.00 0.00 174.94 174.23 1pkl n SER 172 N 2.72 0.00 -4.63 4.36 3.41 -1.26 -1.82 113.62 116.40 1pkl n SER 172 Ca -0.17 -0.71 -0.33 0.00 -0.26 0.00 0.00 58.87 57.41 1pkl n SER 172 Cb 0.52 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.60 1pkl n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pkl n ASP 173 N -2.13 0.18 -3.16 4.04 8.00 -1.25 -4.28 116.55 117.95 1pkl n ASP 173 Ca 0.00 0.50 -0.02 0.00 0.71 0.00 0.00 54.79 55.98 1pkl n ASP 173 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 1pkl n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pkl n ARG 174 N -3.15 -0.55 -3.83 -1.24 1.74 -1.12 -4.95 116.66 103.55 1pkl n ARG 174 Ca 0.12 -0.24 -0.32 0.00 -0.77 0.00 0.00 57.85 56.64 1pkl n ARG 174 Cb 0.51 0.34 -0.04 0.00 -1.02 0.00 0.00 32.46 32.25 1pkl n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pkl s ARG 175 N -3.65 3.51 0.53 5.56 0.52 -1.26 -4.68 118.95 119.48 1pkl s ARG 175 Ca 0.01 -0.28 -0.21 0.00 -0.52 0.00 0.00 55.73 54.74 1pkl s ARG 175 Cb -0.01 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.40 1pkl s ARG 175 CO 0.05 0.59 1.17 0.20 0.02 0.00 0.00 175.30 177.33 1pkl s GLY 176 N -2.30 2.72 0.08 -3.53 0.00 -1.26 -1.47 107.32 101.56 1pkl s GLY 176 Ca 0.35 0.94 0.08 0.00 0.00 0.00 0.00 44.72 46.08 1pkl s GLY 176 CO 0.24 1.34 -0.21 -1.34 0.00 0.00 0.00 173.10 173.14 1pkl s VAL 177 N -1.63 1.72 0.01 1.40 -7.23 0.14 0.00 120.40 114.81 1pkl s VAL 177 Ca 0.71 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.50 1pkl s VAL 177 Cb -0.28 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1pkl s VAL 177 CO 0.32 0.04 -0.18 0.20 -0.31 0.00 0.00 175.10 175.18 1pkl s ASN 178 N -1.66 2.08 -0.67 4.85 0.01 0.14 -4.60 114.94 115.09 1pkl s ASN 178 Ca 0.07 -0.37 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 1pkl s ASN 178 Cb -0.10 -0.21 0.16 0.00 0.41 0.00 0.00 41.25 41.52 1pkl s ASN 178 CO 0.03 0.18 0.45 -0.76 -1.51 0.00 0.00 177.10 175.50 1pkl s LEU 179 N -0.66 4.76 0.08 0.60 1.02 -1.26 -1.25 118.68 121.97 1pkl s LEU 179 Ca 0.06 -3.62 -0.15 0.00 0.02 0.00 0.00 54.13 50.44 1pkl s LEU 179 Cb -0.07 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 1pkl s LEU 179 CO 0.00 -0.13 0.98 -2.65 0.02 0.00 0.00 176.35 174.57 1pkl n PRO 180 N 2.30 -0.22 -1.22 1.29 -0.02 -1.26 -2.25 135.00 133.62 1pkl n PRO 180 Ca 0.16 0.97 -0.23 0.00 -2.02 0.00 0.00 63.50 62.37 1pkl n PRO 180 Cb 0.34 -1.43 0.15 0.00 -0.02 0.00 0.00 33.50 32.55 1pkl n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkl n GLY 181 N -1.12 5.04 3.07 -1.23 0.00 -1.26 -4.84 105.19 104.84 1pkl n GLY 181 Ca 0.01 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 1pkl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ASP 183 N 0.61 6.58 -0.24 0.00 1.11 -1.26 -4.90 116.67 118.58 1pkl s ASP 183 Ca -0.15 0.98 -0.16 0.00 0.18 0.00 0.00 52.55 53.40 1pkl s ASP 183 Cb -0.16 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 1pkl s ASP 183 CO 0.05 -1.20 0.44 -0.69 1.18 0.00 0.00 175.17 174.95 1pkl s VAL 184 N 4.65 5.14 -0.69 -1.27 1.01 -1.26 -4.97 120.40 123.01 1pkl s VAL 184 Ca 0.56 0.74 0.06 0.00 0.00 0.00 0.00 61.98 63.34 1pkl s VAL 184 Cb -0.14 -3.76 0.36 0.00 0.00 0.00 0.00 36.38 32.83 1pkl s VAL 184 CO 0.27 0.16 1.05 -0.90 0.00 0.00 0.00 175.10 175.67 1pkl n ASP 185 N 5.13 3.05 -4.69 3.32 5.68 -1.26 -4.97 116.55 122.81 1pkl n ASP 185 Ca -0.07 -2.40 -0.37 0.00 -0.50 0.00 0.00 54.79 51.46 1pkl n ASP 185 Cb 0.50 -0.58 0.07 0.00 -1.14 0.00 0.00 41.12 39.98 1pkl n ASP 185 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1pkl n LEU 186 N 0.27 5.17 -4.75 -2.12 4.77 -1.26 -4.94 117.00 114.13 1pkl n LEU 186 Ca 0.12 0.79 -0.37 0.00 -0.03 0.00 0.00 56.01 56.52 1pkl n LEU 186 Cb 0.66 -1.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1pkl n LEU 186 CO 0.14 -1.35 0.89 -2.16 -1.33 0.00 0.00 177.39 173.58 1pkl s PRO 187 N -3.29 3.18 0.00 3.23 0.04 -1.26 -4.97 135.00 131.93 1pkl s PRO 187 Ca 0.80 1.98 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 1pkl s PRO 187 Cb -0.38 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.87 1pkl s PRO 187 CO 0.43 -1.08 1.10 0.00 0.04 0.00 0.00 177.00 177.49 1pkl h ALA 188 N 1.32 -0.61 -2.73 8.56 0.00 -1.92 -3.42 119.26 120.47 1pkl h ALA 188 Ca -0.50 -0.19 -0.70 0.00 0.00 0.00 0.00 54.91 53.52 1pkl h ALA 188 Cb 1.29 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 19.09 1pkl h ALA 188 CO 0.57 -0.66 -0.50 0.54 0.00 0.00 0.00 179.25 179.21 1pkl s VAL 189 N -4.45 4.86 0.52 0.00 0.11 -1.26 -4.27 120.40 115.90 1pkl s VAL 189 Ca -0.13 -0.61 -0.09 0.00 -2.93 0.00 0.00 61.98 58.22 1pkl s VAL 189 Cb 0.02 -3.63 0.12 0.00 -1.53 0.00 0.00 36.38 31.37 1pkl s VAL 189 CO 0.46 -0.15 0.57 -1.54 -3.33 0.00 0.00 175.10 171.11 1pkl n SER 190 N 5.05 -0.73 -0.13 3.54 3.41 -1.26 -4.81 113.62 118.69 1pkl n SER 190 Ca -0.12 -1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 57.37 1pkl n SER 190 Cb 0.48 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1pkl n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pkl h ALA 191 N -2.12 0.49 -0.41 7.33 0.00 -1.98 -2.41 119.26 120.16 1pkl h ALA 191 Ca -0.20 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1pkl h ALA 191 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pkl h ALA 191 CO 0.13 0.24 -0.32 -0.22 0.00 0.00 0.00 179.25 179.09 1pkl h LYS 192 N 0.45 0.92 -0.37 0.00 3.64 -1.98 -3.09 116.57 116.14 1pkl h LYS 192 Ca 0.11 -0.44 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1pkl h LYS 192 Cb 0.43 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1pkl h LYS 192 CO 0.02 1.10 0.20 -0.44 -2.27 0.00 0.00 179.45 178.05 1pkl h ASP 193 N 0.77 0.30 -0.14 4.20 3.32 -1.89 0.53 116.42 123.52 1pkl h ASP 193 Ca 0.08 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1pkl h ASP 193 Cb 0.89 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1pkl h ASP 193 CO 0.08 0.22 0.03 -0.09 -1.72 0.00 0.00 179.24 177.76 1pkl h ARG 194 N 0.40 0.32 -0.08 3.56 2.43 -1.44 0.38 114.38 119.95 1pkl h ARG 194 Ca 0.15 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1pkl h ARG 194 Cb 0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1pkl h ARG 194 CO -0.09 0.33 -0.27 0.28 -1.51 0.00 0.00 179.97 178.70 1pkl h VAL 195 N 0.32 1.41 -0.68 0.20 2.07 -1.35 -2.72 116.25 115.49 1pkl h VAL 195 Ca 0.08 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.89 1pkl h VAL 195 Cb 0.17 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1pkl h VAL 195 CO 0.00 0.47 0.15 0.44 0.02 0.00 0.00 177.57 178.65 1pkl h ASP 196 N -0.14 1.04 -0.26 0.57 3.32 -0.32 -2.50 116.42 118.14 1pkl h ASP 196 Ca -0.01 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1pkl h ASP 196 Cb 0.90 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1pkl h ASP 196 CO 0.06 1.01 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.42 1pkl h LEU 197 N 1.04 0.63 -0.87 1.55 3.38 -0.33 -0.10 115.31 120.61 1pkl h LEU 197 Ca 0.21 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1pkl h LEU 197 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1pkl h LEU 197 CO 0.00 0.76 -0.19 1.56 0.09 0.00 0.00 178.44 180.67 1pkl h GLN 198 N 0.60 0.63 -0.24 1.13 4.20 -1.26 -1.41 115.11 118.75 1pkl h GLN 198 Ca 0.11 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1pkl h GLN 198 Cb 0.52 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1pkl h GLN 198 CO 0.03 0.78 -0.17 0.35 -0.67 0.00 0.00 178.83 179.15 1pkl h PHE 199 N 0.56 0.63 -0.92 2.96 3.57 -1.12 -2.11 116.94 120.50 1pkl h PHE 199 Ca 0.09 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1pkl h PHE 199 Cb 0.63 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1pkl h PHE 199 CO 0.03 0.83 0.60 0.78 -2.23 0.00 0.00 178.31 178.32 1pkl h GLY 200 N 0.25 1.35 0.99 2.40 0.00 -0.71 -0.47 103.07 106.88 1pkl h GLY 200 Ca 0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1pkl h GLY 200 CO 0.05 0.39 -0.04 -2.08 0.00 0.00 0.00 176.54 174.86 1pkl h VAL 201 N 1.16 1.27 -0.30 4.60 2.07 -1.20 -1.25 116.25 122.60 1pkl h VAL 201 Ca 0.37 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1pkl h VAL 201 Cb 0.01 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1pkl h VAL 201 CO -0.12 0.38 -0.08 -0.33 0.02 0.00 0.00 177.57 177.44 1pkl h GLU 202 N 0.64 0.49 -0.01 1.57 5.08 -0.80 -2.51 114.58 119.05 1pkl h GLU 202 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkl h GLU 202 Cb 0.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1pkl h GLU 202 CO 0.03 0.58 -0.21 1.04 -1.00 0.00 0.00 179.01 179.45 1pkl n GLN 203 N -4.23 0.71 -3.03 2.33 1.13 -0.24 -4.98 117.38 109.06 1pkl n GLN 203 Ca 0.01 -0.35 -0.12 0.00 -1.94 0.00 0.00 57.00 54.60 1pkl n GLN 203 Cb 0.29 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.19 1pkl n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pkl n GLY 204 N 1.33 0.22 3.72 1.08 0.00 -0.53 -5.02 105.19 105.99 1pkl n GLY 204 Ca 0.13 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1pkl n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 205 N -3.15 2.57 -0.03 1.61 -7.23 -0.82 -4.96 120.40 108.38 1pkl s VAL 205 Ca 0.29 0.21 0.12 0.00 -1.81 0.00 0.00 61.98 60.79 1pkl s VAL 205 Cb -0.13 -2.51 -0.22 0.00 0.56 0.00 0.00 36.38 34.08 1pkl s VAL 205 CO 0.36 -0.22 0.72 0.44 -0.31 0.00 0.00 175.10 176.09 1pkl h ASP 206 N -1.22 0.00 -5.07 4.85 3.32 -1.44 -3.46 116.42 113.39 1pkl h ASP 206 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 1pkl h ASP 206 Cb 1.26 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.69 1pkl h ASP 206 CO 0.47 0.98 0.02 0.00 -1.72 0.00 0.00 179.24 178.98 1pkl s MET 207 N -2.62 1.23 -0.08 3.56 0.23 -1.11 -2.18 119.30 118.33 1pkl s MET 207 Ca -0.04 -0.73 0.04 0.00 -1.03 0.00 0.00 55.69 53.92 1pkl s MET 207 Cb 0.08 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.88 1pkl s MET 207 CO 0.82 -0.51 -0.20 0.42 -2.03 0.00 0.00 175.02 173.53 1pkl s ILE 208 N -3.82 2.49 -0.76 3.16 -1.09 0.27 -1.82 121.20 119.63 1pkl s ILE 208 Ca 0.05 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.46 1pkl s ILE 208 Cb 0.00 -1.97 0.20 0.00 -1.58 0.00 0.00 42.46 39.11 1pkl s ILE 208 CO -0.08 0.56 0.68 -0.36 -1.23 0.00 0.00 174.94 174.51 1pkl s PHE 209 N -0.03 3.66 -0.27 3.97 0.08 -0.21 -0.18 117.98 125.01 1pkl s PHE 209 Ca -0.06 -2.06 -0.29 0.00 0.12 0.00 0.00 56.93 54.64 1pkl s PHE 209 Cb -0.15 -3.70 -0.01 0.00 -0.57 0.00 0.00 43.02 38.59 1pkl s PHE 209 CO 0.05 -0.97 1.47 0.00 -0.10 0.00 0.00 175.22 175.67 1pkl s ALA 210 N 0.25 3.29 0.36 5.36 0.00 -0.00 -1.81 121.76 129.21 1pkl s ALA 210 Ca 0.16 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.13 1pkl s ALA 210 Cb -0.14 -3.83 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 1pkl s ALA 210 CO -0.07 -1.92 1.11 -1.12 0.00 0.00 0.00 175.76 173.76 1pkl s SER 211 N 3.64 6.84 -1.40 0.00 0.01 -1.26 -0.83 113.70 120.70 1pkl s SER 211 Ca 0.64 2.22 -0.01 0.00 1.31 0.00 0.00 55.95 60.12 1pkl s SER 211 Cb -0.21 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.42 1pkl s SER 211 CO 0.27 -0.44 0.48 0.49 0.41 0.00 0.00 173.24 174.45 1pkl n PHE 212 N 0.38 -1.70 -2.59 2.43 3.72 -1.24 -4.70 117.46 113.76 1pkl n PHE 212 Ca 0.03 0.77 -0.43 0.00 -0.05 0.00 0.00 57.45 57.77 1pkl n PHE 212 Cb 0.47 -3.85 -0.02 0.00 -0.94 0.00 0.00 39.48 35.14 1pkl n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pkl s ILE 213 N -3.88 4.56 -0.13 4.37 -1.09 -1.10 -4.87 121.20 119.04 1pkl s ILE 213 Ca 0.03 1.86 0.02 0.00 -2.23 0.00 0.00 60.65 60.33 1pkl s ILE 213 Cb -0.02 -4.20 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1pkl s ILE 213 CO 0.87 -0.10 0.28 0.54 -1.23 0.00 0.00 174.94 175.31 1pkl n ARG 214 N 5.88 3.23 -3.69 2.79 1.74 -1.26 -4.20 116.66 121.15 1pkl n ARG 214 Ca 0.11 -0.27 -0.14 0.00 -0.77 0.00 0.00 57.85 56.78 1pkl n ARG 214 Cb 0.46 -0.78 -0.07 0.00 -1.02 0.00 0.00 32.46 31.05 1pkl n ARG 214 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pkl s SER 215 N -0.69 -0.31 0.39 0.55 0.15 -1.26 -4.12 113.70 108.41 1pkl s SER 215 Ca 0.01 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.91 1pkl s SER 215 Cb 0.01 0.39 0.79 0.00 -1.71 0.00 0.00 66.02 65.50 1pkl s SER 215 CO 0.04 -0.54 2.02 0.00 1.20 0.00 0.00 173.24 175.96 1pkl h ALA 216 N 3.46 1.69 -0.72 5.45 0.00 -1.86 -2.29 119.26 124.99 1pkl h ALA 216 Ca -0.30 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1pkl h ALA 216 Cb 1.18 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1pkl h ALA 216 CO 0.41 0.26 0.41 0.93 0.00 0.00 0.00 179.25 181.26 1pkl h GLU 217 N 0.67 0.72 -0.47 0.00 5.08 -1.95 -2.66 114.58 115.97 1pkl h GLU 217 Ca 0.22 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1pkl h GLU 217 Cb 0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1pkl h GLU 217 CO -0.05 0.47 0.32 1.96 -1.00 0.00 0.00 179.01 180.71 1pkl h GLN 218 N 0.74 0.40 -0.70 2.33 4.20 -1.83 -1.54 115.11 118.71 1pkl h GLN 218 Ca 0.33 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.95 1pkl h GLN 218 Cb 0.22 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1pkl h GLN 218 CO -0.20 0.26 0.17 0.28 -0.67 0.00 0.00 178.83 178.68 1pkl h VAL 219 N 0.41 1.26 -0.48 -0.54 2.07 -1.53 -2.30 116.25 115.15 1pkl h VAL 219 Ca 0.20 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1pkl h VAL 219 Cb 0.28 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1pkl h VAL 219 CO -0.05 0.37 0.27 1.23 0.02 0.00 0.00 177.57 179.41 1pkl h GLY 220 N 1.08 0.69 1.58 2.17 0.00 -1.33 -1.25 103.07 106.01 1pkl h GLY 220 Ca 0.22 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1pkl h GLY 220 CO 0.00 0.27 -0.26 -0.55 0.00 0.00 0.00 176.54 176.01 1pkl h ASP 221 N 0.65 0.49 -0.23 0.19 3.32 -1.25 -1.53 116.42 118.07 1pkl h ASP 221 Ca 0.17 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1pkl h ASP 221 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1pkl h ASP 221 CO -0.03 0.75 -0.38 0.58 -1.72 0.00 0.00 179.24 178.43 1pkl h VAL 222 N 0.43 1.28 0.07 -1.35 2.07 -0.90 -1.27 116.25 116.58 1pkl h VAL 222 Ca 0.06 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1pkl h VAL 222 Cb 0.68 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1pkl h VAL 222 CO 0.05 0.51 -0.03 0.03 0.02 0.00 0.00 177.57 178.15 1pkl h ARG 223 N 0.64 -0.08 -0.80 1.57 3.08 -0.99 -1.82 114.38 115.97 1pkl h ARG 223 Ca 0.06 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.24 1pkl h ARG 223 Cb 0.93 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.91 1pkl h ARG 223 CO 0.09 0.08 0.40 0.87 -1.07 0.00 0.00 179.97 180.33 1pkl h LYS 224 N -0.23 0.59 -0.02 0.04 1.57 -1.17 0.13 116.57 117.47 1pkl h LYS 224 Ca -0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1pkl h LYS 224 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1pkl h LYS 224 CO 0.01 0.39 -0.20 0.00 -0.57 0.00 0.00 179.45 179.08 1pkl h ALA 225 N 1.52 1.63 0.00 3.86 0.00 -0.88 -0.95 119.26 124.45 1pkl h ALA 225 Ca 0.43 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1pkl h ALA 225 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pkl h ALA 225 CO -0.34 0.27 -0.64 -0.07 0.00 0.00 0.00 179.25 178.48 1pkl h LEU 226 N 0.02 0.00 0.00 0.00 3.38 -0.17 -3.41 115.31 115.14 1pkl h LEU 226 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1pkl h LEU 226 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pkl h LEU 226 CO 0.03 0.64 -0.07 0.61 0.09 0.00 0.00 178.44 179.73 1pkl n GLY 227 N 1.05 -1.79 0.18 0.83 0.00 -0.36 -3.52 105.19 101.57 1pkl n GLY 227 Ca 0.01 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.76 1pkl n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pkl h PRO 228 N 0.00 0.00 0.00 1.61 0.13 -1.88 -2.96 132.00 128.91 1pkl h PRO 228 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pkl h PRO 228 Cb 0.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1pkl h PRO 228 CO 0.00 0.41 0.00 1.63 -0.23 0.00 0.00 178.00 179.82 1pkl n LYS 229 N -3.90 0.17 -0.78 0.86 5.02 -1.26 -3.26 118.16 115.01 1pkl n LYS 229 Ca -0.01 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 1pkl n LYS 229 Cb 0.46 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.16 1pkl n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkl n GLY 230 N 1.06 5.29 0.29 0.72 0.00 -1.12 -4.78 105.19 106.66 1pkl n GLY 230 Ca 0.09 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.65 1pkl n GLY 230 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pkl h ARG 231 N 1.14 0.60 -0.01 1.61 3.08 -1.61 -2.95 114.38 116.24 1pkl h ARG 231 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1pkl h ARG 231 Cb 1.10 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1pkl h ARG 231 CO 0.11 0.52 -0.08 -0.25 -1.07 0.00 0.00 179.97 179.21 1pkl n ASP 232 N -4.35 0.79 -4.73 7.04 8.00 -1.26 -4.87 116.55 117.18 1pkl n ASP 232 Ca 0.03 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 1pkl n ASP 232 Cb 0.17 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1pkl n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pkl s ILE 233 N -2.24 4.46 0.32 0.53 1.01 -1.11 -5.00 121.20 119.15 1pkl s ILE 233 Ca 0.35 2.04 -0.25 0.00 0.00 0.00 0.00 60.65 62.79 1pkl s ILE 233 Cb 0.21 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 1pkl s ILE 233 CO 0.42 0.35 0.91 -0.04 0.00 0.00 0.00 174.94 176.58 1pkl s MET 234 N -0.18 4.50 -0.35 2.79 -1.94 -0.93 -4.93 119.30 118.26 1pkl s MET 234 Ca 0.45 1.24 -0.04 0.00 -1.71 0.00 0.00 55.69 55.64 1pkl s MET 234 Cb -0.23 -2.74 0.06 0.00 2.01 0.00 0.00 34.83 33.93 1pkl s MET 234 CO 0.30 0.26 0.10 0.42 -0.01 0.00 0.00 175.02 176.09 1pkl s ILE 235 N -1.67 3.36 -0.37 2.53 1.01 -1.26 -0.56 121.20 124.24 1pkl s ILE 235 Ca 0.50 -1.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1pkl s ILE 235 Cb -0.17 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 1pkl s ILE 235 CO 0.22 -0.30 0.38 -0.63 0.00 0.00 0.00 174.94 174.61 1pkl s ILE 236 N 1.27 5.15 -0.20 2.92 -1.09 0.75 -1.06 121.20 128.94 1pkl s ILE 236 Ca -0.00 -0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.05 1pkl s ILE 236 Cb -0.21 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1pkl s ILE 236 CO -0.01 -0.21 0.89 0.00 -1.23 0.00 0.00 174.94 174.39 1pkl s LYS 238 N 2.58 3.96 -0.45 0.00 1.02 -0.01 -1.06 119.74 125.77 1pkl s LYS 238 Ca 0.39 0.85 -0.21 0.00 0.02 0.00 0.00 55.97 57.02 1pkl s LYS 238 Cb -0.16 -3.77 0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1pkl s LYS 238 CO 0.10 -0.96 0.69 0.42 -0.92 0.00 0.00 175.35 174.68 1pkl s ILE 239 N 3.66 4.77 0.00 2.17 -1.09 -0.44 -2.73 121.20 127.54 1pkl s ILE 239 Ca 0.43 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1pkl s ILE 239 Cb -0.12 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1pkl s ILE 239 CO 0.18 -0.67 0.72 -0.62 -1.23 0.00 0.00 174.94 173.32 1pkl n GLU 240 N 6.41 0.88 -3.95 2.79 1.02 -1.26 -3.03 120.64 123.50 1pkl n GLU 240 Ca -0.01 -0.95 -0.10 0.00 -0.02 0.00 0.00 57.16 56.07 1pkl n GLU 240 Cb 0.48 -0.98 -0.02 0.00 -0.02 0.00 0.00 31.44 30.90 1pkl n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pkl s ASN 241 N -0.46 0.22 0.43 1.62 2.20 -1.26 -3.38 114.94 114.31 1pkl s ASN 241 Ca 0.00 -1.12 0.09 0.00 -0.94 0.00 0.00 52.86 50.89 1pkl s ASN 241 Cb 0.00 0.71 0.94 0.00 -2.00 0.00 0.00 41.25 40.90 1pkl s ASN 241 CO 0.00 -1.38 2.07 1.12 -2.94 0.00 0.00 177.10 175.96 1pkl h HIS 242 N 2.10 0.43 -0.34 1.54 2.07 -1.92 -2.59 115.15 116.43 1pkl h HIS 242 Ca -0.28 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.19 1pkl h HIS 242 Cb 1.25 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 1pkl h HIS 242 CO 1.02 0.26 -0.03 1.96 -3.07 0.00 0.00 177.93 178.07 1pkl h GLN 243 N 0.45 0.62 -0.86 5.12 4.20 -1.94 0.14 115.11 122.85 1pkl h GLN 243 Ca 0.14 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1pkl h GLN 243 Cb 0.01 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1pkl h GLN 243 CO -0.03 0.77 0.54 0.78 -0.67 0.00 0.00 178.83 180.22 1pkl h GLY 244 N 0.42 1.22 1.06 3.46 0.00 -1.63 0.20 103.07 107.80 1pkl h GLY 244 Ca 0.09 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1pkl h GLY 244 CO 0.02 0.47 -0.32 -2.08 0.00 0.00 0.00 176.54 174.64 1pkl h VAL 245 N 1.17 1.28 -0.40 4.60 2.07 -1.26 -1.90 116.25 121.82 1pkl h VAL 245 Ca 0.31 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1pkl h VAL 245 Cb -0.09 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1pkl h VAL 245 CO -0.06 0.49 0.06 -0.61 0.02 0.00 0.00 177.57 177.47 1pkl h GLN 246 N 0.65 0.67 -0.70 1.57 5.75 0.06 -2.96 115.11 120.14 1pkl h GLN 246 Ca 0.06 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1pkl h GLN 246 Cb 0.90 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1pkl h GLN 246 CO 0.08 0.72 0.02 0.09 -2.65 0.00 0.00 178.83 177.08 1pkl n ASN 247 N -4.51 4.47 -0.33 -0.69 3.02 0.62 -4.66 115.26 113.17 1pkl n ASN 247 Ca -0.01 -2.70 0.10 0.00 -0.03 0.00 0.00 54.58 51.94 1pkl n ASN 247 Cb 0.24 -0.64 0.27 0.00 -0.61 0.00 0.00 39.78 39.03 1pkl n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1pkl h ILE 248 N 2.87 0.74 -0.27 2.41 6.09 -1.16 -1.98 117.51 126.22 1pkl h ILE 248 Ca 0.01 -0.25 0.02 0.00 -1.37 0.00 0.00 64.86 63.27 1pkl h ILE 248 Cb 1.62 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 1pkl h ILE 248 CO 0.38 0.13 0.13 0.44 -3.07 0.00 0.00 178.15 176.16 1pkl h ASP 249 N 0.73 0.19 0.47 2.19 3.32 -1.86 -0.28 116.42 121.18 1pkl h ASP 249 Ca 0.52 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.43 1pkl h ASP 249 Cb 0.74 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1pkl h ASP 249 CO -0.36 0.15 -0.66 0.77 -1.72 0.00 0.00 179.24 177.42 1pkl h SER 250 N 0.28 0.20 -0.23 6.45 4.64 -1.87 -2.46 113.55 120.56 1pkl h SER 250 Ca 0.11 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1pkl h SER 250 Cb 0.03 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1pkl h SER 250 CO -0.08 0.80 -0.05 0.40 -0.87 0.00 0.00 176.83 177.03 1pkl h ILE 251 N 0.12 1.28 -0.89 0.95 2.04 -1.05 -2.74 117.51 117.22 1pkl h ILE 251 Ca -0.01 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1pkl h ILE 251 Cb 1.18 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1pkl h ILE 251 CO 0.10 0.32 0.59 0.40 0.00 0.00 0.00 178.15 179.56 1pkl h ILE 252 N 0.18 1.22 -0.64 -0.67 2.04 -1.06 -1.06 117.51 117.52 1pkl h ILE 252 Ca 0.06 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1pkl h ILE 252 Cb 0.51 -0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 1pkl h ILE 252 CO 0.02 0.22 0.29 -0.08 0.00 0.00 0.00 178.15 178.60 1pkl h GLU 253 N 1.21 0.50 0.01 2.37 4.57 -1.19 -3.20 114.58 118.84 1pkl h GLU 253 Ca 0.33 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1pkl h GLU 253 Cb -0.13 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1pkl h GLU 253 CO -0.07 0.33 -0.28 0.93 -1.18 0.00 0.00 179.01 178.73 1pkl h GLU 254 N 0.51 0.02 -7.09 1.92 4.39 -1.23 -3.48 114.58 109.62 1pkl h GLU 254 Ca 0.31 -0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.56 1pkl h GLU 254 Cb 0.33 0.01 0.22 0.00 -0.10 0.00 0.00 28.75 29.21 1pkl h GLU 254 CO -0.26 1.01 -0.05 -1.54 -1.16 0.00 0.00 179.01 177.01 1pkl s SER 255 N -6.38 0.19 0.00 1.42 1.04 -0.43 -4.96 113.70 104.58 1pkl s SER 255 Ca -0.20 1.37 0.15 0.00 0.48 0.00 0.00 55.95 57.74 1pkl s SER 255 Cb -0.01 -2.09 0.22 0.00 0.10 0.00 0.00 66.02 64.24 1pkl s SER 255 CO 0.68 -4.66 1.10 0.47 0.98 0.00 0.00 173.24 171.81 1pkl n ASP 256 N -5.21 2.59 0.00 7.02 8.00 -0.23 -4.93 116.55 123.79 1pkl n ASP 256 Ca 0.04 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.79 1pkl n ASP 256 Cb 0.55 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1pkl n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pkl n GLY 257 N 0.86 0.61 3.11 0.44 0.00 -1.21 -4.17 105.19 104.83 1pkl n GLY 257 Ca 0.11 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1pkl n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkl s ILE 258 N -2.00 0.75 -0.11 -0.61 -1.09 -0.63 -1.51 121.20 116.00 1pkl s ILE 258 Ca 0.00 -1.21 0.01 0.00 -2.23 0.00 0.00 60.65 57.21 1pkl s ILE 258 Cb 0.00 -0.83 0.02 0.00 -1.58 0.00 0.00 42.46 40.06 1pkl s ILE 258 CO 0.00 -0.36 -0.12 -0.32 -1.23 0.00 0.00 174.94 172.91 1pkl s MET 259 N -1.78 1.94 -0.64 2.79 -2.45 -0.23 -1.32 119.30 117.61 1pkl s MET 259 Ca -0.06 -0.44 -0.22 0.00 -1.25 0.00 0.00 55.69 53.72 1pkl s MET 259 Cb -0.09 -1.76 0.08 0.00 1.25 0.00 0.00 34.83 34.31 1pkl s MET 259 CO 0.01 -0.14 0.90 0.08 1.05 0.00 0.00 175.02 176.92 1pkl s VAL 260 N 1.24 4.44 -1.10 10.11 1.01 0.32 -1.33 120.40 135.08 1pkl s VAL 260 Ca -0.02 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1pkl s VAL 260 Cb -0.14 -4.64 0.12 0.00 0.00 0.00 0.00 36.38 31.72 1pkl s VAL 260 CO -0.04 -1.37 1.40 0.00 0.00 0.00 0.00 175.10 175.08 1pkl s ALA 261 N 3.74 3.42 0.15 5.51 0.00 -1.17 -1.43 121.76 131.99 1pkl s ALA 261 Ca 0.20 -2.88 -0.17 0.00 0.00 0.00 0.00 51.96 49.10 1pkl s ALA 261 Cb -0.18 -4.28 0.06 0.00 0.00 0.00 0.00 23.12 18.71 1pkl s ALA 261 CO 0.09 -3.10 1.69 0.00 0.00 0.00 0.00 175.76 174.44 1pkl h ARG 262 N 8.27 0.04 -0.85 0.00 -0.00 -1.86 -0.66 114.38 119.33 1pkl h ARG 262 Ca 0.27 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.75 1pkl h ARG 262 Cb 0.95 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.86 1pkl h ARG 262 CO 1.28 0.03 0.54 0.78 0.00 0.00 0.00 179.97 182.60 1pkl h GLY 263 N 0.05 1.21 1.13 0.04 0.00 -1.90 0.13 103.07 103.72 1pkl h GLY 263 Ca 0.16 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 1pkl h GLY 263 CO -0.31 0.46 -0.52 -0.55 0.00 0.00 0.00 176.54 175.63 1pkl h ASP 264 N 1.16 0.96 0.05 0.19 3.32 -1.82 -2.76 116.42 117.52 1pkl h ASP 264 Ca 0.31 -0.53 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1pkl h ASP 264 Cb -0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1pkl h ASP 264 CO -0.06 1.31 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.53 1pkl h LEU 265 N 0.66 0.22 -0.49 1.55 3.38 -0.86 -2.68 115.31 117.09 1pkl h LEU 265 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pkl h LEU 265 Cb 1.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1pkl h LEU 265 CO 0.12 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1pkl n GLY 266 N -0.80 -1.25 0.25 0.83 0.00 0.41 -1.82 105.19 102.83 1pkl n GLY 266 Ca -0.01 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1pkl n GLY 266 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pkl h VAL 267 N 0.00 1.24 0.00 1.61 2.07 -1.40 -3.34 116.25 116.43 1pkl h VAL 267 Ca 0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1pkl h VAL 267 Cb 0.36 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1pkl h VAL 267 CO 0.00 0.32 -0.60 -1.84 0.02 0.00 0.00 177.57 175.47 1pkl n GLU 268 N -4.42 3.43 -5.11 1.57 0.28 -1.19 -4.97 120.64 110.24 1pkl n GLU 268 Ca 0.02 -0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1pkl n GLU 268 Cb 0.23 -0.96 -0.15 0.00 1.43 0.00 0.00 31.44 31.99 1pkl n GLU 268 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1pkl s ILE 269 N -1.95 2.44 0.35 3.84 1.01 -0.75 -4.94 121.20 121.20 1pkl s ILE 269 Ca 0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 1pkl s ILE 269 Cb 0.06 -1.92 -0.12 0.00 0.01 0.00 0.00 42.46 40.49 1pkl s ILE 269 CO 0.35 0.57 1.43 -2.65 0.00 0.00 0.00 174.94 174.64 1pkl n PRO 270 N 2.80 2.48 -0.26 2.79 -0.02 -1.26 -4.27 135.00 137.25 1pkl n PRO 270 Ca -0.17 0.87 0.05 0.00 -2.02 0.00 0.00 63.50 62.23 1pkl n PRO 270 Cb 0.52 -2.56 0.16 0.00 -0.02 0.00 0.00 33.50 31.60 1pkl n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkl h ALA 271 N 3.01 0.77 -0.15 3.55 0.00 -1.96 0.65 119.26 125.14 1pkl h ALA 271 Ca -0.49 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1pkl h ALA 271 Cb 1.26 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1pkl h ALA 271 CO 0.65 -0.43 0.03 1.05 0.00 0.00 0.00 179.25 180.56 1pkl h GLU 272 N 0.09 0.20 0.01 0.00 9.09 -2.01 -1.41 114.58 120.56 1pkl h GLU 272 Ca 0.42 -0.02 -0.20 0.00 0.05 0.00 0.00 59.36 59.61 1pkl h GLU 272 Cb 0.73 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.77 1pkl h GLU 272 CO -0.69 0.20 -0.93 0.87 0.05 0.00 0.00 179.01 178.50 1pkl h LYS 273 N 0.21 0.08 -0.37 1.06 1.57 -1.26 -3.15 116.57 114.71 1pkl h LYS 273 Ca 0.05 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1pkl h LYS 273 Cb 0.09 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1pkl h LYS 273 CO -0.00 0.95 0.03 0.28 -0.57 0.00 0.00 179.45 180.13 1pkl h VAL 274 N 0.03 1.20 -0.01 0.50 2.07 -0.52 0.95 116.25 120.49 1pkl h VAL 274 Ca -0.03 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1pkl h VAL 274 Cb 1.62 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1pkl h VAL 274 CO 0.13 0.27 0.00 0.58 0.02 0.00 0.00 177.57 178.58 1pkl h VAL 275 N 0.56 1.07 -0.29 2.57 2.07 -1.41 -0.52 116.25 120.29 1pkl h VAL 275 Ca 0.12 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1pkl h VAL 275 Cb 0.32 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1pkl h VAL 275 CO 0.01 0.06 -0.15 0.58 0.02 0.00 0.00 177.57 178.09 1pkl h VAL 276 N -0.08 1.24 -0.67 2.57 2.07 -1.41 -2.63 116.25 117.33 1pkl h VAL 276 Ca 0.00 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 1pkl h VAL 276 Cb 0.09 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1pkl h VAL 276 CO -0.00 0.35 0.17 0.00 0.02 0.00 0.00 177.57 178.11 1pkl h ALA 277 N 1.38 1.02 -0.79 1.67 0.00 -0.55 -2.11 119.26 119.89 1pkl h ALA 277 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pkl h ALA 277 Cb 0.53 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1pkl h ALA 277 CO 0.03 0.64 0.52 0.37 0.00 0.00 0.00 179.25 180.81 1pkl h GLN 278 N 1.01 1.02 -0.45 0.00 4.15 -0.74 0.25 115.11 120.35 1pkl h GLN 278 Ca 0.21 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1pkl h GLN 278 Cb 0.35 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1pkl h GLN 278 CO 0.00 0.67 0.16 0.87 -1.93 0.00 0.00 178.83 178.60 1pkl h LYS 279 N 1.05 0.70 0.02 1.69 1.57 -1.21 -1.59 116.57 118.79 1pkl h LYS 279 Ca 0.29 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1pkl h LYS 279 Cb -0.09 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1pkl h LYS 279 CO -0.07 0.66 -0.01 0.82 -0.57 0.00 0.00 179.45 180.27 1pkl h ILE 280 N 0.59 1.16 -0.48 1.86 2.04 -0.88 -1.70 117.51 120.11 1pkl h ILE 280 Ca 0.15 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1pkl h ILE 280 Cb 0.24 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1pkl h ILE 280 CO -0.01 0.15 0.09 -0.07 0.00 0.00 0.00 178.15 178.31 1pkl h LEU 281 N -0.28 0.70 -0.11 1.44 3.38 -0.94 -1.44 115.31 118.07 1pkl h LEU 281 Ca -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1pkl h LEU 281 Cb 0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1pkl h LEU 281 CO 0.00 0.71 -0.06 0.40 0.09 0.00 0.00 178.44 179.59 1pkl h ILE 282 N 0.72 1.32 -0.71 1.22 2.04 -1.26 -2.08 117.51 118.76 1pkl h ILE 282 Ca 0.16 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1pkl h ILE 282 Cb 0.31 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1pkl h ILE 282 CO 0.00 0.31 0.40 0.28 0.00 0.00 0.00 178.15 179.14 1pkl h SER 283 N -0.14 0.87 -0.60 1.72 0.02 -1.17 -0.06 113.55 114.19 1pkl h SER 283 Ca 0.02 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1pkl h SER 283 Cb 0.52 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1pkl h SER 283 CO 0.02 0.70 0.04 0.11 -1.14 0.00 0.00 176.83 176.55 1pkl h LYS 284 N 0.99 1.06 -0.31 3.45 1.57 -1.20 -1.82 116.57 120.30 1pkl h LYS 284 Ca 0.25 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1pkl h LYS 284 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1pkl h LYS 284 CO -0.04 1.01 -0.41 0.00 -0.57 0.00 0.00 179.45 179.44 1pkl h ASN 286 N 0.63 0.15 -0.36 0.00 -0.26 -0.76 -0.29 115.58 114.69 1pkl h ASN 286 Ca 0.05 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 1pkl h ASN 286 Cb 0.96 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 1pkl h ASN 286 CO 0.09 0.11 0.05 0.58 -1.06 0.00 0.00 177.43 177.21 1pkl h VAL 287 N 0.20 1.22 0.00 2.81 2.07 -1.29 -2.60 116.25 118.66 1pkl h VAL 287 Ca 0.07 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1pkl h VAL 287 Cb 0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1pkl h VAL 287 CO -0.04 0.30 -0.30 0.00 0.02 0.00 0.00 177.57 177.55 1pkl h ALA 288 N 1.39 1.04 0.00 1.67 0.00 -0.80 -3.47 119.26 119.09 1pkl h ALA 288 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pkl h ALA 288 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pkl h ALA 288 CO 0.01 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1pkl n GLY 289 N 0.11 0.69 3.28 0.00 0.00 -0.17 -5.07 105.19 104.03 1pkl n GLY 289 Ca -0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1pkl n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkl s LYS 290 N -2.39 1.88 0.39 1.61 1.02 -1.01 -4.77 119.74 116.48 1pkl s LYS 290 Ca 0.00 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 54.83 1pkl s LYS 290 Cb 0.00 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.34 1pkl s LYS 290 CO 0.00 0.51 1.26 -0.35 -0.92 0.00 0.00 175.35 175.85 1pkl n PRO 291 N 2.34 1.98 -4.36 -1.68 -0.04 -1.26 -4.47 135.00 127.51 1pkl n PRO 291 Ca -0.16 0.70 -0.21 0.00 -0.04 0.00 0.00 63.50 63.79 1pkl n PRO 291 Cb 0.52 -2.34 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 1pkl n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pkl s VAL 292 N -1.16 0.78 -0.16 0.52 0.11 -1.26 -1.61 120.40 117.61 1pkl s VAL 292 Ca 0.59 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.30 1pkl s VAL 292 Cb -0.53 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1pkl s VAL 292 CO 0.60 0.26 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.94 1pkl s ILE 293 N 0.55 3.60 -0.27 7.04 1.01 -0.44 -1.18 121.20 131.50 1pkl s ILE 293 Ca -0.09 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 1pkl s ILE 293 Cb -0.12 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1pkl s ILE 293 CO 0.01 0.48 0.75 0.00 0.00 0.00 0.00 174.94 176.19 1pkl n ALA 295 N 6.01 1.66 -2.68 0.00 0.00 -0.52 -1.68 120.51 123.30 1pkl n ALA 295 Ca 0.03 -0.70 -0.22 0.00 0.00 0.00 0.00 53.44 52.54 1pkl n ALA 295 Cb 0.48 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1pkl n ALA 295 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pkl s THR 296 N -2.32 3.76 -1.23 0.00 -4.23 -1.26 -4.54 115.64 105.82 1pkl s THR 296 Ca -0.20 -1.65 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1pkl s THR 296 Cb 0.05 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1pkl s THR 296 CO 0.39 -0.32 0.66 0.00 -0.54 0.00 0.00 174.62 174.80 1pkl n GLN 297 N -1.08 -1.69 -3.95 3.99 6.02 -1.26 -4.72 117.38 114.68 1pkl n GLN 297 Ca -0.06 0.38 -0.35 0.00 -0.01 0.00 0.00 57.00 56.96 1pkl n GLN 297 Cb 0.59 -4.01 -0.12 0.00 1.02 0.00 0.00 30.24 27.72 1pkl n GLN 297 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1pkl s MET 298 N -6.37 3.72 -1.45 -1.09 -1.94 -1.26 -4.47 119.30 106.44 1pkl s MET 298 Ca 0.33 -0.46 -0.11 0.00 -1.71 0.00 0.00 55.69 53.74 1pkl s MET 298 Cb -0.13 -3.20 0.08 0.00 2.01 0.00 0.00 34.83 33.58 1pkl s MET 298 CO 0.89 0.00 0.71 1.28 -0.01 0.00 0.00 175.02 177.89 1pkl n LEU 299 N 4.32 -2.08 -0.30 -0.03 4.77 -1.26 -4.84 117.00 117.59 1pkl n LEU 299 Ca -0.17 -0.56 -0.10 0.00 -0.03 0.00 0.00 56.01 55.15 1pkl n LEU 299 Cb 0.52 -2.40 -0.09 0.00 -2.33 0.00 0.00 43.42 39.13 1pkl n LEU 299 CO 0.32 0.29 0.49 -0.33 -1.33 0.00 0.00 177.39 176.83 1pkl h GLU 300 N -1.48 -0.09 0.00 3.23 5.08 -1.97 -1.32 114.58 118.03 1pkl h GLU 300 Ca -0.51 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1pkl h GLU 300 Cb 1.34 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1pkl h GLU 300 CO 0.61 -0.06 0.08 -1.13 -1.00 0.00 0.00 179.01 177.51 1pkl n SER 301 N -4.97 0.00 0.00 1.42 3.41 -1.26 -0.81 113.62 111.41 1pkl n SER 301 Ca 0.00 0.18 0.14 0.00 -0.26 0.00 0.00 58.87 58.93 1pkl n SER 301 Cb 0.24 -0.18 0.64 0.00 -0.26 0.00 0.00 64.21 64.66 1pkl n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pkl n MET 302 N -1.10 0.09 0.03 4.33 2.81 -0.50 -0.73 117.12 122.05 1pkl n MET 302 Ca 0.00 0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1pkl n MET 302 Cb 0.08 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.31 1pkl n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1pkl h THR 303 N 0.00 1.26 0.00 2.03 2.02 -1.16 -3.37 112.91 113.70 1pkl h THR 303 Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1pkl h THR 303 Cb 0.45 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1pkl h THR 303 CO 0.00 0.39 -0.88 0.00 0.37 0.00 0.00 175.52 175.40 1pkl n TYR 304 N -4.13 0.00 -4.10 3.16 4.11 -1.20 -0.70 117.16 114.30 1pkl n TYR 304 Ca -0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.56 1pkl n TYR 304 Cb 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.66 1pkl n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1pkl s ASN 305 N -2.52 5.72 0.25 9.48 0.02 0.09 -4.95 114.94 123.03 1pkl s ASN 305 Ca 0.00 0.18 0.24 0.00 -1.02 0.00 0.00 52.86 52.26 1pkl s ASN 305 Cb 0.00 -1.67 0.96 0.00 0.02 0.00 0.00 41.25 40.56 1pkl s ASN 305 CO 0.00 0.29 1.72 -0.81 0.02 0.00 0.00 177.10 178.32 1pkl n PRO 306 N 1.32 0.20 -4.43 -0.60 -0.04 -1.26 -4.15 135.00 126.05 1pkl n PRO 306 Ca -0.14 0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 1pkl n PRO 306 Cb 0.53 -1.86 -0.16 0.00 -0.04 0.00 0.00 33.50 31.98 1pkl n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1pkl s ARG 307 N -3.28 1.04 0.87 0.54 0.52 -1.26 -4.99 118.95 112.39 1pkl s ARG 307 Ca 0.05 -0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 54.79 1pkl s ARG 307 Cb 0.10 -0.96 0.13 0.00 0.52 0.00 0.00 34.95 34.73 1pkl s ARG 307 CO 0.42 0.12 1.23 -1.25 0.02 0.00 0.00 175.30 175.84 1pkl s PRO 308 N 0.19 1.43 0.64 3.54 0.04 -1.26 -4.71 135.00 134.87 1pkl s PRO 308 Ca -0.03 -0.07 -0.05 0.00 0.04 0.00 0.00 61.00 60.88 1pkl s PRO 308 Cb -0.09 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.58 1pkl s PRO 308 CO 0.01 -1.93 0.94 0.95 0.04 0.00 0.00 177.00 177.00 1pkl s THR 309 N -3.68 2.89 0.17 1.26 -4.23 -1.26 -4.95 115.64 105.83 1pkl s THR 309 Ca 0.66 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.81 1pkl s THR 309 Cb -0.09 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.65 1pkl s THR 309 CO 0.51 -0.19 1.70 -0.09 -0.54 0.00 0.00 174.62 176.01 1pkl h ARG 310 N -0.34 0.13 -0.21 3.99 9.65 -2.01 -2.54 114.38 123.05 1pkl h ARG 310 Ca -0.45 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.30 1pkl h ARG 310 Cb 1.29 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1pkl h ARG 310 CO 0.59 0.09 -0.38 0.00 2.80 0.00 0.00 179.97 183.07 1pkl h ALA 311 N 1.35 0.94 -0.21 2.80 0.00 -2.00 -2.97 119.26 119.17 1pkl h ALA 311 Ca 0.20 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1pkl h ALA 311 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pkl h ALA 311 CO -0.32 0.62 -0.29 0.93 0.00 0.00 0.00 179.25 180.20 1pkl h GLU 312 N 0.40 0.42 -0.19 0.00 5.08 -1.88 -1.37 114.58 117.05 1pkl h GLU 312 Ca 0.04 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1pkl h GLU 312 Cb 0.85 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1pkl h GLU 312 CO 0.07 0.67 0.00 0.28 -1.00 0.00 0.00 179.01 179.03 1pkl h VAL 313 N 0.37 1.25 -0.31 3.13 2.07 -1.31 -2.64 116.25 118.81 1pkl h VAL 313 Ca 0.05 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1pkl h VAL 313 Cb 0.69 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1pkl h VAL 313 CO 0.05 0.26 -0.12 0.77 0.02 0.00 0.00 177.57 178.55 1pkl h SER 314 N 0.08 0.52 -0.68 0.57 4.64 -1.38 -2.16 113.55 115.14 1pkl h SER 314 Ca 0.05 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1pkl h SER 314 Cb 0.39 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 1pkl h SER 314 CO 0.01 0.67 0.43 -0.78 -0.87 0.00 0.00 176.83 176.29 1pkl h ASP 315 N 0.49 0.72 -0.45 4.97 3.58 -1.14 0.11 116.42 124.71 1pkl h ASP 315 Ca 0.09 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 1pkl h ASP 315 Cb 0.50 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1pkl h ASP 315 CO 0.03 0.51 -0.14 0.58 -2.88 0.00 0.00 179.24 177.34 1pkl h VAL 316 N 0.86 1.27 -0.28 2.25 2.07 -1.15 -2.38 116.25 118.90 1pkl h VAL 316 Ca 0.26 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1pkl h VAL 316 Cb -0.03 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pkl h VAL 316 CO -0.09 0.43 0.09 0.00 0.02 0.00 0.00 177.57 178.03 1pkl h ALA 317 N 0.86 0.36 0.00 1.67 0.00 -0.87 -2.85 119.26 118.43 1pkl h ALA 317 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pkl h ALA 317 Cb 0.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pkl h ALA 317 CO 0.05 -0.01 -0.10 -0.91 0.00 0.00 0.00 179.25 178.29 1pkl h ASN 318 N 0.29 0.00 -0.41 0.00 2.35 -0.74 -0.61 115.58 116.46 1pkl h ASN 318 Ca 0.09 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1pkl h ASN 318 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1pkl h ASN 318 CO -0.00 0.10 -0.19 0.00 -1.65 0.00 0.00 177.43 175.68 1pkl h ALA 319 N 1.90 0.79 -0.20 -0.83 0.00 -1.19 0.17 119.26 119.91 1pkl h ALA 319 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1pkl h ALA 319 Cb 0.44 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pkl h ALA 319 CO 0.01 0.66 -0.28 0.28 0.00 0.00 0.00 179.25 179.92 1pkl h VAL 320 N 0.79 1.33 -0.39 0.00 2.07 -1.25 -1.46 116.25 117.35 1pkl h VAL 320 Ca 0.11 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1pkl h VAL 320 Cb 0.74 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1pkl h VAL 320 CO 0.06 0.45 0.21 -0.26 0.02 0.00 0.00 177.57 178.05 1pkl h PHE 321 N 0.21 0.51 -0.38 1.57 0.04 -0.88 -1.14 116.94 116.87 1pkl h PHE 321 Ca 0.02 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1pkl h PHE 321 Cb 0.85 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1pkl h PHE 321 CO 0.09 0.36 0.01 -0.91 -0.60 0.00 0.00 178.31 177.26 1pkl h ASN 322 N 0.53 0.56 0.00 2.17 -0.26 -0.52 -3.46 115.58 114.59 1pkl h ASN 322 Ca 0.14 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1pkl h ASN 322 Cb 0.02 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1pkl h ASN 322 CO -0.02 0.62 0.00 0.61 -1.06 0.00 0.00 177.43 177.58 1pkl n GLY 323 N -0.84 1.45 3.77 2.83 0.00 -0.43 -4.60 105.19 107.37 1pkl n GLY 323 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1pkl n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ALA 324 N -1.80 3.41 -0.03 4.61 0.00 -0.58 -4.93 121.76 122.44 1pkl s ALA 324 Ca 0.00 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 1pkl s ALA 324 Cb 0.00 -3.59 -0.29 0.00 0.00 0.00 0.00 23.12 19.24 1pkl s ALA 324 CO 0.00 -1.11 0.96 -0.44 0.00 0.00 0.00 175.76 175.18 1pkl h ASP 325 N 2.68 0.47 -3.81 0.00 5.19 -1.46 -3.44 116.42 116.04 1pkl h ASP 325 Ca -0.51 -0.89 -0.41 0.00 -0.62 0.00 0.00 57.03 54.60 1pkl h ASP 325 Cb 1.25 -0.15 -0.17 0.00 0.18 0.00 0.00 39.33 40.44 1pkl h ASP 325 CO 0.63 1.32 -0.75 0.00 -3.12 0.00 0.00 179.24 177.32 1pkl s VAL 327 N -2.54 1.68 0.16 0.00 -7.23 -0.37 -1.36 120.40 110.74 1pkl s VAL 327 Ca 0.14 -1.06 0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1pkl s VAL 327 Cb -0.03 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1pkl s VAL 327 CO 0.04 0.33 -0.26 -0.32 -0.31 0.00 0.00 175.10 174.58 1pkl s MET 328 N -0.86 1.45 -0.09 4.82 1.75 -0.67 -1.74 119.30 123.95 1pkl s MET 328 Ca 0.08 -1.42 0.03 0.00 -1.25 0.00 0.00 55.69 53.13 1pkl s MET 328 Cb -0.08 -1.87 0.00 0.00 2.84 0.00 0.00 34.83 35.72 1pkl s MET 328 CO 0.01 0.43 -0.21 -0.51 -0.65 0.00 0.00 175.02 174.09 1pkl s LEU 329 N -2.32 1.97 0.00 4.11 1.43 0.02 -4.51 118.68 119.37 1pkl s LEU 329 Ca 0.17 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1pkl s LEU 329 Cb -0.09 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1pkl s LEU 329 CO 0.08 0.12 0.00 -1.20 0.23 0.00 0.00 176.35 175.58 1pkl n SER 330 N 3.61 0.00 0.26 2.29 7.64 -1.26 -1.36 113.62 124.80 1pkl n SER 330 Ca -0.20 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.80 1pkl n SER 330 Cb 0.53 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 64.41 1pkl n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1pkl h GLY 331 N 0.00 0.00 1.35 0.23 0.00 -1.96 -1.09 103.07 101.60 1pkl h GLY 331 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1pkl h GLY 331 CO 0.00 0.00 0.33 0.83 0.00 0.00 0.00 176.54 177.70 1pkl h GLU 332 N 0.00 0.49 0.00 4.80 3.07 -1.88 -0.04 114.58 121.01 1pkl h GLU 332 Ca -0.00 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.60 1pkl h GLU 332 Cb 0.38 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1pkl h GLU 332 CO 0.02 0.33 -1.96 0.25 -1.40 0.00 0.00 179.01 176.24 1pkl n THR 333 N -4.47 0.85 -0.03 1.13 -2.24 -1.07 -3.39 114.28 105.05 1pkl n THR 333 Ca 0.06 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1pkl n THR 333 Cb 0.19 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 1pkl n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pkl h ALA 334 N 0.84 0.09 0.00 6.98 0.00 -0.72 -3.36 119.26 123.08 1pkl h ALA 334 Ca -0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1pkl h ALA 334 Cb 1.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1pkl h ALA 334 CO 0.02 -0.05 -0.01 0.36 0.00 0.00 0.00 179.25 179.57 1pkl n LYS 335 N -4.67 1.25 -1.09 0.00 2.85 -0.65 -2.12 118.16 113.73 1pkl n LYS 335 Ca -0.08 -0.97 -0.30 0.00 -1.05 0.00 0.00 58.31 55.91 1pkl n LYS 335 Cb 0.35 -0.73 0.14 0.00 -0.65 0.00 0.00 35.03 34.14 1pkl n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1pkl s GLY 336 N -0.50 1.63 0.13 2.58 0.00 -0.12 -4.88 107.32 106.16 1pkl s GLY 336 Ca 0.01 0.09 0.23 0.00 0.00 0.00 0.00 44.72 45.04 1pkl s GLY 336 CO 0.00 0.56 1.01 1.17 0.00 0.00 0.00 173.10 175.84 1pkl n LYS 337 N -3.94 0.49 -3.11 2.90 4.81 0.12 -4.48 118.16 114.96 1pkl n LYS 337 Ca 0.08 0.05 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 1pkl n LYS 337 Cb 0.54 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 33.84 1pkl n LYS 337 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1pkl n TYR 338 N -2.38 1.76 -0.08 5.64 4.01 -1.26 -4.99 117.16 119.86 1pkl n TYR 338 Ca 0.00 -3.89 -0.09 0.00 -0.16 0.00 0.00 57.90 53.77 1pkl n TYR 338 Cb 0.51 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1pkl n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pkl h PRO 339 N 3.12 -0.30 -0.55 -0.72 0.11 -1.78 -1.96 132.00 129.90 1pkl h PRO 339 Ca 0.11 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1pkl h PRO 339 Cb 0.77 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1pkl h PRO 339 CO 0.63 -0.20 -0.10 -0.91 -0.21 0.00 0.00 178.00 177.21 1pkl h ASN 340 N -0.32 1.04 -0.34 -2.05 2.35 -1.92 -3.10 115.58 111.24 1pkl h ASN 340 Ca 0.14 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.49 1pkl h ASN 340 Cb 0.55 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1pkl h ASN 340 CO -0.48 1.14 0.04 -0.33 -1.65 0.00 0.00 177.43 176.16 1pkl h GLU 341 N 0.93 0.67 -0.20 0.81 3.07 -1.89 -1.02 114.58 116.94 1pkl h GLU 341 Ca 0.14 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1pkl h GLU 341 Cb 0.67 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1pkl h GLU 341 CO 0.05 0.66 -0.16 0.28 -1.40 0.00 0.00 179.01 178.43 1pkl h VAL 342 N 0.64 1.32 -0.47 3.13 2.07 -1.37 -0.95 116.25 120.63 1pkl h VAL 342 Ca 0.14 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1pkl h VAL 342 Cb 0.33 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1pkl h VAL 342 CO 0.01 0.39 0.20 0.58 0.02 0.00 0.00 177.57 178.78 1pkl h VAL 343 N 0.13 1.20 -0.42 2.57 2.07 -1.45 0.66 116.25 121.01 1pkl h VAL 343 Ca 0.04 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1pkl h VAL 343 Cb 0.69 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1pkl h VAL 343 CO 0.04 0.23 0.22 1.56 0.02 0.00 0.00 177.57 179.64 1pkl h GLN 344 N 0.62 0.60 -0.60 1.57 4.20 -1.17 -0.69 115.11 119.64 1pkl h GLN 344 Ca 0.16 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1pkl h GLN 344 Cb 0.17 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1pkl h GLN 344 CO -0.02 0.50 0.15 -0.92 -0.67 0.00 0.00 178.83 177.87 1pkl h TYR 345 N 0.55 1.00 -0.39 2.96 5.03 -0.93 -1.45 116.97 123.74 1pkl h TYR 345 Ca 0.15 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1pkl h TYR 345 Cb 0.08 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1pkl h TYR 345 CO -0.02 0.85 0.23 1.98 -1.32 0.00 0.00 178.16 179.88 1pkl h MET 346 N 0.87 0.53 -0.89 1.82 4.05 -0.50 -1.38 114.93 119.43 1pkl h MET 346 Ca 0.19 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1pkl h MET 346 Cb 0.34 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1pkl h MET 346 CO 0.00 0.40 0.56 0.00 0.23 0.00 0.00 176.91 178.10 1pkl h ALA 347 N 1.10 1.13 -0.88 0.39 0.00 -0.95 -1.39 119.26 118.65 1pkl h ALA 347 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pkl h ALA 347 Cb 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1pkl h ALA 347 CO -0.03 0.56 0.50 -0.09 0.00 0.00 0.00 179.25 180.20 1pkl h ARG 348 N 1.21 1.22 -0.29 0.00 2.43 -0.68 -0.48 114.38 117.79 1pkl h ARG 348 Ca 0.32 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 59.21 1pkl h ARG 348 Cb -0.09 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.21 1pkl h ARG 348 CO -0.06 0.88 -0.43 0.82 -1.51 0.00 0.00 179.97 179.67 1pkl h ILE 349 N 1.23 1.29 -0.23 1.20 2.04 -0.84 -2.37 117.51 119.83 1pkl h ILE 349 Ca 0.31 -1.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.44 1pkl h ILE 349 Cb -0.00 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1pkl h ILE 349 CO -0.05 0.52 -0.37 0.00 0.00 0.00 0.00 178.15 178.24 1pkl h LEU 351 N 0.43 0.45 -0.48 0.00 6.46 -1.03 -1.88 115.31 119.26 1pkl h LEU 351 Ca 0.04 -0.38 -0.06 0.00 -0.12 0.00 0.00 57.88 57.36 1pkl h LEU 351 Cb 0.85 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1pkl h LEU 351 CO 0.07 0.73 0.06 -0.08 -0.62 0.00 0.00 178.44 178.59 1pkl h GLU 352 N 0.17 0.80 -0.76 1.25 4.57 -1.35 -2.61 114.58 116.65 1pkl h GLU 352 Ca 0.06 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1pkl h GLU 352 Cb 0.54 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1pkl h GLU 352 CO 0.03 0.82 0.45 0.00 -1.18 0.00 0.00 179.01 179.12 1pkl h ALA 353 N 0.95 0.98 -0.67 2.92 0.00 -1.10 -2.71 119.26 119.63 1pkl h ALA 353 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 353 Cb 0.42 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1pkl h ALA 353 CO 0.01 0.46 0.43 0.37 0.00 0.00 0.00 179.25 180.52 1pkl h GLN 354 N 1.05 0.84 -0.52 0.00 4.15 -1.17 -2.05 115.11 117.41 1pkl h GLN 354 Ca 0.27 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.78 1pkl h GLN 354 Cb -0.01 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1pkl h GLN 354 CO -0.05 0.56 0.37 0.66 -1.93 0.00 0.00 178.83 178.44 1pkl h SER 355 N 0.87 0.06 0.56 -0.69 4.64 -1.13 -1.33 113.55 116.53 1pkl h SER 355 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1pkl h SER 355 Cb -0.06 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1pkl h SER 355 CO -0.07 0.03 -1.00 0.00 -0.87 0.00 0.00 176.83 174.92 1pkl n ALA 356 N -2.62 3.17 -2.21 5.18 0.00 -0.83 -4.94 120.51 118.27 1pkl n ALA 356 Ca 0.09 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1pkl n ALA 356 Cb 0.55 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1pkl n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkl s LEU 357 N -4.20 4.36 -0.78 0.00 0.20 -0.50 -4.90 118.68 112.85 1pkl s LEU 357 Ca 0.03 2.25 -0.17 0.00 0.69 0.00 0.00 54.13 56.93 1pkl s LEU 357 Cb 0.14 -3.58 0.15 0.00 -0.43 0.00 0.00 46.19 42.47 1pkl s LEU 357 CO 0.79 -0.64 0.87 0.21 -0.29 0.00 0.00 176.35 177.29 1pkl s ASN 358 N 1.25 6.53 0.35 3.68 2.47 -1.26 -4.90 114.94 123.06 1pkl s ASN 358 Ca 0.64 -2.06 0.27 0.00 0.42 0.00 0.00 52.86 52.13 1pkl s ASN 358 Cb -0.35 -2.30 1.11 0.00 -1.45 0.00 0.00 41.25 38.25 1pkl s ASN 358 CO 0.29 -0.92 1.80 -0.33 -3.72 0.00 0.00 177.10 174.22 1pkl h GLU 359 N 8.60 0.00 0.00 0.43 5.08 -1.93 -2.76 114.58 124.00 1pkl h GLU 359 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1pkl h GLU 359 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1pkl h GLU 359 CO 0.99 0.00 -0.35 -0.92 -1.00 0.00 0.00 179.01 177.73 1pkl h TYR 360 N 0.00 0.00 -0.27 4.33 3.20 -1.90 -2.01 116.97 120.31 1pkl h TYR 360 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1pkl h TYR 360 Cb 0.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1pkl h TYR 360 CO 0.00 0.35 0.08 0.28 -1.64 0.00 0.00 178.16 177.23 1pkl h VAL 361 N 0.00 1.21 0.08 1.81 2.07 -1.88 -0.18 116.25 119.35 1pkl h VAL 361 Ca -0.00 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1pkl h VAL 361 Cb 0.78 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1pkl h VAL 361 CO 0.05 0.22 -0.06 -0.26 0.02 0.00 0.00 177.57 177.54 1pkl h PHE 362 N 0.28 -0.14 -0.38 1.57 -1.00 -1.61 -0.31 116.94 115.34 1pkl h PHE 362 Ca 0.09 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.94 1pkl h PHE 362 Cb 0.26 0.05 -0.06 0.00 3.61 0.00 0.00 35.95 39.81 1pkl h PHE 362 CO 0.01 -0.09 -0.02 0.35 -1.61 0.00 0.00 178.31 176.95 1pkl h PHE 363 N -0.14 -0.06 -0.37 -0.55 3.57 -1.25 -2.10 116.94 116.05 1pkl h PHE 363 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1pkl h PHE 363 Cb 0.12 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1pkl h PHE 363 CO -0.09 -0.09 0.01 -0.97 -2.23 0.00 0.00 178.31 174.93 1pkl h ASN 364 N 0.08 0.63 -0.73 0.41 -0.00 -0.87 -1.16 115.58 113.94 1pkl h ASN 364 Ca 0.19 -0.30 0.01 0.00 -0.00 0.00 0.00 56.30 56.19 1pkl h ASN 364 Cb 0.27 -0.17 -0.04 0.00 -0.00 0.00 0.00 38.32 38.38 1pkl h ASN 364 CO -0.33 0.78 0.48 0.28 -0.00 0.00 0.00 177.43 178.64 1pkl h SER 365 N 0.46 0.83 -0.06 1.15 0.02 -0.84 -1.59 113.55 113.53 1pkl h SER 365 Ca 0.10 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1pkl h SER 365 Cb 0.45 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1pkl h SER 365 CO 0.02 0.60 -0.14 0.40 -1.14 0.00 0.00 176.83 176.57 1pkl h ILE 366 N 0.98 1.43 -0.95 3.27 2.04 -1.37 -2.58 117.51 120.33 1pkl h ILE 366 Ca 0.27 -1.48 0.09 0.00 1.00 0.00 0.00 64.86 64.74 1pkl h ILE 366 Cb -0.11 2.26 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 1pkl h ILE 366 CO -0.06 0.41 0.61 0.50 0.00 0.00 0.00 178.15 179.61 1pkl h LYS 367 N -0.31 0.97 -0.16 2.37 3.64 -1.13 -2.10 116.57 119.85 1pkl h LYS 367 Ca -0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1pkl h LYS 367 Cb 0.73 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1pkl h LYS 367 CO 0.03 0.64 0.01 -0.22 -2.27 0.00 0.00 179.45 177.64 1pkl h LYS 368 N 1.00 0.27 0.00 1.90 3.64 -1.28 -2.89 116.57 119.21 1pkl h LYS 368 Ca 0.44 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1pkl h LYS 368 Cb 0.36 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pkl h LYS 368 CO -0.20 0.48 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.36 1pkl h LEU 369 N 0.03 0.00 -9.84 5.20 3.38 -1.00 -3.45 115.31 109.63 1pkl h LEU 369 Ca 0.05 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.45 1pkl h LEU 369 Cb 0.35 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.22 1pkl h LEU 369 CO 0.01 0.02 0.48 0.00 0.09 0.00 0.00 178.44 179.04 1pkl n GLN 370 N -3.27 1.87 -3.31 1.13 1.13 -0.84 -4.97 117.38 109.13 1pkl n GLN 370 Ca -0.02 0.67 -0.38 0.00 -1.94 0.00 0.00 57.00 55.33 1pkl n GLN 370 Cb 0.15 -2.38 -0.06 0.00 0.11 0.00 0.00 30.24 28.06 1pkl n GLN 370 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1pkl s HIS 371 N -1.22 3.61 -0.18 1.08 5.65 -1.26 -5.07 115.29 117.91 1pkl s HIS 371 Ca 0.62 1.02 -0.03 0.00 0.25 0.00 0.00 55.06 56.92 1pkl s HIS 371 Cb -0.50 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.36 1pkl s HIS 371 CO 0.57 0.32 -0.05 0.42 -0.65 0.00 0.00 174.74 175.35 1pkl s ILE 372 N 0.03 3.57 0.37 0.89 1.01 -1.26 -2.51 121.20 123.30 1pkl s ILE 372 Ca 0.27 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 1pkl s ILE 372 Cb -0.16 -2.58 -0.10 0.00 0.01 0.00 0.00 42.46 39.63 1pkl s ILE 372 CO 0.13 0.46 1.00 -2.16 0.00 0.00 0.00 174.94 174.38 1pkl s PRO 373 N 0.85 4.33 0.46 2.79 0.04 -1.26 -5.20 135.00 137.01 1pkl s PRO 373 Ca -0.01 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.49 1pkl s PRO 373 Cb -0.15 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1pkl s PRO 373 CO 0.01 0.03 0.33 0.00 0.04 0.00 0.00 177.00 177.42 1pkl s MET 374 N -2.41 2.35 0.73 4.56 0.23 -1.05 -5.13 119.30 118.58 1pkl s MET 374 Ca 0.55 -1.79 -0.11 0.00 -1.03 0.00 0.00 55.69 53.31 1pkl s MET 374 Cb -0.19 -2.17 0.03 0.00 -1.53 0.00 0.00 34.83 30.96 1pkl s MET 374 CO 0.24 -0.32 1.08 -1.54 -2.03 0.00 0.00 175.02 172.45 1pkl s SER 375 N -4.12 5.16 0.11 -1.18 1.04 -1.26 -4.86 113.70 108.60 1pkl s SER 375 Ca 0.41 1.29 -0.30 0.00 0.48 0.00 0.00 55.95 57.83 1pkl s SER 375 Cb -0.01 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 1pkl s SER 375 CO 0.24 -1.54 1.59 0.00 0.98 0.00 0.00 173.24 174.52 1pkl h ALA 376 N -0.79 -0.69 -0.82 5.32 0.00 -2.00 -1.09 119.26 119.19 1pkl h ALA 376 Ca -0.45 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.48 1pkl h ALA 376 Cb 1.25 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1pkl h ALA 376 CO 0.61 -0.95 0.53 0.38 0.00 0.00 0.00 179.25 179.82 1pkl h ASP 377 N -0.63 0.69 -0.04 0.00 2.03 -1.94 0.80 116.42 117.34 1pkl h ASP 377 Ca 0.02 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 1pkl h ASP 377 Cb 0.66 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1pkl h ASP 377 CO -0.23 0.41 0.00 -0.08 -1.03 0.00 0.00 179.24 178.31 1pkl h GLU 378 N 0.77 0.07 -0.37 4.15 4.57 -1.86 -2.16 114.58 119.75 1pkl h GLU 378 Ca 0.38 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1pkl h GLU 378 Cb 0.44 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1pkl h GLU 378 CO -0.15 0.35 -0.03 0.00 -1.18 0.00 0.00 179.01 178.00 1pkl h ALA 379 N 0.72 1.26 -0.30 2.92 0.00 -0.57 -2.60 119.26 120.69 1pkl h ALA 379 Ca 0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1pkl h ALA 379 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pkl h ALA 379 CO 0.00 0.49 -0.27 0.28 0.00 0.00 0.00 179.25 179.76 1pkl h VAL 380 N 0.56 1.30 -0.18 0.00 2.07 -0.81 -2.28 116.25 116.91 1pkl h VAL 380 Ca 0.11 -1.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1pkl h VAL 380 Cb 0.40 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1pkl h VAL 380 CO 0.02 0.46 -0.34 0.00 0.02 0.00 0.00 177.57 177.72 1pkl h SER 382 N 0.33 0.73 -0.30 0.00 4.64 -1.47 -2.42 113.55 115.05 1pkl h SER 382 Ca 0.04 -0.64 -0.09 0.00 -0.47 0.00 0.00 61.79 60.63 1pkl h SER 382 Cb 0.76 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1pkl h SER 382 CO 0.06 1.25 -0.10 0.28 -0.87 0.00 0.00 176.83 177.45 1pkl h SER 383 N 0.26 0.70 -0.35 4.97 0.02 -1.33 0.29 113.55 118.12 1pkl h SER 383 Ca -0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1pkl h SER 383 Cb 1.24 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1pkl h SER 383 CO 0.12 0.84 0.17 0.00 -1.14 0.00 0.00 176.83 176.82 1pkl h ALA 384 N 1.23 0.45 0.00 3.77 0.00 -1.05 0.89 119.26 124.56 1pkl h ALA 384 Ca 0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1pkl h ALA 384 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pkl h ALA 384 CO 0.03 0.01 -0.46 0.28 0.00 0.00 0.00 179.25 179.11 1pkl h VAL 385 N 0.43 1.12 -0.31 0.00 2.07 -1.18 -2.43 116.25 115.95 1pkl h VAL 385 Ca 0.12 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1pkl h VAL 385 Cb 0.12 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1pkl h VAL 385 CO -0.02 0.45 0.05 -1.13 0.02 0.00 0.00 177.57 176.95 1pkl h ASN 386 N 0.00 0.50 -0.46 0.57 -0.00 0.30 -2.50 115.58 113.99 1pkl h ASN 386 Ca -0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1pkl h ASN 386 Cb 0.95 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 39.11 1pkl h ASN 386 CO 0.06 0.64 0.28 0.28 -0.00 0.00 0.00 177.43 178.69 1pkl h SER 387 N 0.35 0.57 -0.27 1.15 0.02 -0.60 0.10 113.55 114.86 1pkl h SER 387 Ca 0.10 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pkl h SER 387 Cb 0.35 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1pkl h SER 387 CO 0.01 0.44 0.15 0.58 -1.14 0.00 0.00 176.83 176.88 1pkl h VAL 388 N 0.66 1.11 -0.41 2.27 2.07 -1.03 -0.39 116.25 120.54 1pkl h VAL 388 Ca 0.17 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1pkl h VAL 388 Cb -0.01 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1pkl h VAL 388 CO -0.03 0.11 -0.15 1.88 0.02 0.00 0.00 177.57 179.40 1pkl h TYR 389 N 0.33 0.85 0.20 1.57 0.05 -0.86 0.18 116.97 119.28 1pkl h TYR 389 Ca 0.10 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1pkl h TYR 389 Cb 0.04 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.57 1pkl h TYR 389 CO -0.04 0.86 -0.10 0.93 -1.05 0.00 0.00 178.16 178.77 1pkl h GLU 390 N 0.68 -0.26 -0.00 4.88 5.08 -0.73 -3.25 114.58 120.98 1pkl h GLU 390 Ca 0.11 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pkl h GLU 390 Cb 0.64 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1pkl h GLU 390 CO 0.04 0.01 -0.35 0.25 -1.00 0.00 0.00 179.01 177.96 1pkl n THR 391 N -5.10 0.00 -3.63 1.13 -2.24 -0.18 -4.95 114.28 99.31 1pkl n THR 391 Ca -0.09 -0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1pkl n THR 391 Cb 0.21 0.04 0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1pkl n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pkl n LYS 392 N -1.47 -6.72 -1.60 -0.78 5.02 0.58 -4.92 118.16 108.28 1pkl n LYS 392 Ca 0.06 0.76 -0.36 0.00 -2.02 0.00 0.00 58.31 56.76 1pkl n LYS 392 Cb 0.34 -5.71 0.08 0.00 -0.02 0.00 0.00 35.03 29.72 1pkl n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl s ALA 393 N -3.38 2.25 -1.00 7.82 0.00 -0.95 -4.83 121.76 121.66 1pkl s ALA 393 Ca 0.35 1.07 0.22 0.00 0.00 0.00 0.00 51.96 53.61 1pkl s ALA 393 Cb -0.16 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 1pkl s ALA 393 CO 0.76 -1.74 1.02 1.63 0.00 0.00 0.00 175.76 177.43 1pkl n LYS 394 N -2.28 0.00 -3.52 0.00 4.76 -0.73 -4.83 118.16 111.56 1pkl n LYS 394 Ca 0.15 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.48 1pkl n LYS 394 Cb 0.49 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 1pkl n LYS 394 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pkl s ALA 395 N -3.00 -1.58 0.00 7.82 0.00 -1.26 -4.08 121.76 119.67 1pkl s ALA 395 Ca 0.09 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.51 1pkl s ALA 395 Cb 0.16 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1pkl s ALA 395 CO 0.83 -0.81 -0.13 -1.64 0.00 0.00 0.00 175.76 174.00 1pkl s MET 396 N -3.65 1.01 -0.19 0.00 -1.94 -0.73 -2.03 119.30 111.77 1pkl s MET 396 Ca 0.04 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 1pkl s MET 396 Cb -0.02 -0.99 0.03 0.00 2.01 0.00 0.00 34.83 35.86 1pkl s MET 396 CO -0.08 0.26 -0.16 0.08 -0.01 0.00 0.00 175.02 175.11 1pkl s VAL 397 N -0.44 1.91 -0.19 -6.03 1.01 0.42 -0.24 120.40 116.84 1pkl s VAL 397 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1pkl s VAL 397 Cb -0.06 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 1pkl s VAL 397 CO -0.00 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.68 1pkl s VAL 398 N 1.32 2.97 -0.51 2.92 1.01 0.34 -0.56 120.40 127.88 1pkl s VAL 398 Ca 0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1pkl s VAL 398 Cb -0.15 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 33.98 1pkl s VAL 398 CO -0.10 0.47 0.67 -0.76 0.00 0.00 0.00 175.10 175.38 1pkl s LEU 399 N 1.20 4.79 -0.04 3.92 1.43 -0.99 -0.79 118.68 128.21 1pkl s LEU 399 Ca 0.02 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 1pkl s LEU 399 Cb -0.14 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1pkl s LEU 399 CO -0.04 -0.93 0.03 -0.55 0.23 0.00 0.00 176.35 175.09 1pkl s SER 400 N 2.65 0.92 -0.06 2.29 0.15 -1.04 -4.39 113.70 114.22 1pkl s SER 400 Ca 0.18 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.77 1pkl s SER 400 Cb -0.18 -0.22 -0.29 0.00 -1.71 0.00 0.00 66.02 63.63 1pkl s SER 400 CO 0.14 -0.18 0.62 0.78 1.20 0.00 0.00 173.24 175.79 1pkl h ASN 401 N 7.97 0.50 0.48 5.45 -0.26 -1.95 -3.36 115.58 124.41 1pkl h ASN 401 Ca -0.26 -0.84 0.00 0.00 -0.56 0.00 0.00 56.30 54.64 1pkl h ASN 401 Cb 1.12 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 1pkl h ASN 401 CO 0.30 1.72 -0.74 0.35 -1.06 0.00 0.00 177.43 178.00 1pkl n THR 402 N -3.52 0.11 -0.44 2.81 -2.24 -1.26 -4.43 114.28 105.31 1pkl n THR 402 Ca -0.25 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1pkl n THR 402 Cb 1.06 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1pkl n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkl n GLY 403 N 1.43 0.74 0.11 3.38 0.00 -1.26 -4.87 105.19 104.72 1pkl n GLY 403 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1pkl n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pkl h ARG 404 N 4.08 -0.20 -0.44 1.61 2.43 -1.91 -2.28 114.38 117.66 1pkl h ARG 404 Ca 0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1pkl h ARG 404 Cb 0.00 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1pkl h ARG 404 CO 0.00 -0.11 0.03 0.77 -1.51 0.00 0.00 179.97 179.15 1pkl h SER 405 N -0.22 0.74 -0.85 -3.80 0.02 -1.92 -2.16 113.55 105.35 1pkl h SER 405 Ca -0.02 -0.29 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1pkl h SER 405 Cb 0.17 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 1pkl h SER 405 CO 0.03 0.85 0.53 0.00 -1.14 0.00 0.00 176.83 177.11 1pkl h ALA 406 N 0.92 1.14 -0.14 3.77 0.00 -1.92 0.14 119.26 123.17 1pkl h ALA 406 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1pkl h ALA 406 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pkl h ALA 406 CO 0.02 0.32 -0.46 -0.09 0.00 0.00 0.00 179.25 179.04 1pkl h ARG 407 N 1.00 0.33 -0.06 0.00 2.43 -1.31 -0.78 114.38 116.01 1pkl h ARG 407 Ca 0.36 -0.18 -0.21 0.00 -0.81 0.00 0.00 59.98 59.14 1pkl h ARG 407 Cb 0.10 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1pkl h ARG 407 CO -0.15 0.73 -0.79 1.25 -1.51 0.00 0.00 179.97 179.51 1pkl h LEU 408 N 0.27 0.79 -0.19 3.80 5.85 -0.67 -2.77 115.31 122.39 1pkl h LEU 408 Ca 0.02 -0.70 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 1pkl h LEU 408 Cb 0.92 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1pkl h LEU 408 CO 0.08 1.38 0.06 0.58 -0.34 0.00 0.00 178.44 180.19 1pkl h VAL 409 N 0.28 1.19 -0.19 1.05 2.07 -0.72 -2.61 116.25 117.31 1pkl h VAL 409 Ca -0.08 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1pkl h VAL 409 Cb 1.44 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1pkl h VAL 409 CO 0.16 0.19 0.17 0.00 0.02 0.00 0.00 177.57 178.10 1pkl h ALA 410 N 0.88 1.94 -0.70 1.67 0.00 -1.17 -1.09 119.26 120.79 1pkl h ALA 410 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 410 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pkl h ALA 410 CO -0.00 -0.27 0.43 -0.22 0.00 0.00 0.00 179.25 179.19 1pkl h LYS 411 N 0.00 0.94 0.00 0.00 3.64 -1.16 -2.16 116.57 117.84 1pkl h LYS 411 Ca 0.09 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pkl h LYS 411 Cb 0.43 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1pkl h LYS 411 CO -0.00 0.65 0.00 0.66 -2.27 0.00 0.00 179.45 178.49 1pkl n TYR 412 N -4.40 0.00 -3.18 1.91 4.01 -0.41 -4.87 117.16 110.21 1pkl n TYR 412 Ca 0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 1pkl n TYR 412 Cb 0.06 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 1pkl n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1pkl n ARG 413 N -1.44 -1.39 -2.34 -0.72 5.12 -0.81 -3.64 116.66 111.44 1pkl n ARG 413 Ca 0.07 1.39 -0.34 0.00 -1.93 0.00 0.00 57.85 57.04 1pkl n ARG 413 Cb 0.24 -5.16 -0.01 0.00 -1.16 0.00 0.00 32.46 26.37 1pkl n ARG 413 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1pkl s PRO 414 N -3.32 3.58 -0.30 5.56 0.02 -1.26 -4.55 135.00 134.73 1pkl s PRO 414 Ca 0.01 1.34 -0.01 0.00 0.02 0.00 0.00 61.00 62.36 1pkl s PRO 414 Cb -0.00 -2.06 0.19 0.00 0.02 0.00 0.00 34.50 32.65 1pkl s PRO 414 CO 0.78 -0.61 2.05 0.27 -0.33 0.00 0.00 177.00 179.15 1pkl n ASN 415 N -1.36 6.40 -3.61 2.53 6.94 -1.26 -4.83 115.26 120.07 1pkl n ASN 415 Ca 0.09 -3.03 -0.11 0.00 -0.02 0.00 0.00 54.58 51.52 1pkl n ASN 415 Cb 0.52 -1.07 -0.04 0.00 -2.36 0.00 0.00 39.78 36.83 1pkl n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pkl n PRO 417 N -0.14 1.83 -4.48 0.00 -0.02 -1.26 -4.82 135.00 126.10 1pkl n PRO 417 Ca -0.16 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 1pkl n PRO 417 Cb 0.63 -2.58 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 1pkl n PRO 417 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pkl s ILE 418 N -1.26 3.38 -0.23 4.25 1.01 -0.96 -1.77 121.20 125.61 1pkl s ILE 418 Ca 0.69 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 1pkl s ILE 418 Cb -0.43 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1pkl s ILE 418 CO 0.51 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 175.20 1pkl s VAL 419 N 0.58 3.06 -0.22 2.92 1.01 0.67 -1.43 120.40 126.99 1pkl s VAL 419 Ca -0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1pkl s VAL 419 Cb -0.15 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1pkl s VAL 419 CO 0.03 0.31 0.15 0.00 0.00 0.00 0.00 175.10 175.59 1pkl s VAL 421 N 0.70 3.90 0.24 0.00 1.01 0.03 0.23 120.40 126.52 1pkl s VAL 421 Ca 0.08 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.50 1pkl s VAL 421 Cb -0.12 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1pkl s VAL 421 CO 0.01 0.11 -0.20 -0.89 0.00 0.00 0.00 175.10 174.13 1pkl s THR 422 N 1.50 2.31 -2.18 3.92 2.01 -0.67 -2.51 115.64 120.02 1pkl s THR 422 Ca 0.03 -2.26 0.21 0.00 0.31 0.00 0.00 61.69 59.98 1pkl s THR 422 Cb -0.17 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.19 1pkl s THR 422 CO 0.02 -0.35 1.09 0.35 -0.69 0.00 0.00 174.62 175.03 1pkl n THR 423 N -0.32 0.00 -3.92 -0.82 -2.24 -1.26 0.07 114.28 105.79 1pkl n THR 423 Ca -0.08 -0.34 -0.35 0.00 -2.27 0.00 0.00 64.05 61.01 1pkl n THR 423 Cb 0.59 1.31 -0.14 0.00 -2.10 0.00 0.00 70.33 69.99 1pkl n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pkl s ARG 424 N -2.21 2.98 0.54 -0.78 0.52 -1.26 -4.73 118.95 114.02 1pkl s ARG 424 Ca 0.20 -0.89 0.28 0.00 -0.52 0.00 0.00 55.73 54.80 1pkl s ARG 424 Cb 0.17 -3.05 1.57 0.00 0.52 0.00 0.00 34.95 34.16 1pkl s ARG 424 CO 0.46 -0.37 2.13 1.25 0.02 0.00 0.00 175.30 178.79 1pkl h LEU 425 N 8.07 0.00 -0.60 2.53 5.85 -1.94 -1.29 115.31 127.93 1pkl h LEU 425 Ca -0.34 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 1pkl h LEU 425 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1pkl h LEU 425 CO 0.59 0.08 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.71 1pkl h GLN 426 N 0.00 0.00 -0.28 1.25 4.15 -1.96 -2.83 115.11 115.44 1pkl h GLN 426 Ca -0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1pkl h GLN 426 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1pkl h GLN 426 CO 0.01 0.45 -0.44 1.15 -1.93 0.00 0.00 178.83 178.07 1pkl h THR 427 N 0.00 1.29 -0.92 2.39 2.02 -1.52 0.10 112.91 116.28 1pkl h THR 427 Ca -0.00 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.55 1pkl h THR 427 Cb 1.10 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 1pkl h THR 427 CO 0.06 0.52 0.58 0.00 0.37 0.00 0.00 175.52 177.05 1pkl h ARG 429 N 1.26 0.52 0.00 0.00 3.08 -1.27 -3.32 114.38 114.65 1pkl h ARG 429 Ca 0.33 -0.56 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 1pkl h ARG 429 Cb -0.10 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1pkl h ARG 429 CO -0.07 1.19 -0.38 1.96 -1.07 0.00 0.00 179.97 181.61 1pkl h GLN 430 N 0.07 0.00 0.00 0.04 4.20 -0.60 -1.75 115.11 117.07 1pkl h GLN 430 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1pkl h GLN 430 Cb 1.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.25 1pkl h GLN 430 CO 0.15 0.38 0.00 1.28 -0.67 0.00 0.00 178.83 179.98 1pkl n LEU 431 N -3.90 0.00 0.09 1.46 4.77 -0.25 -3.16 117.00 116.01 1pkl n LEU 431 Ca -0.01 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1pkl n LEU 431 Cb 0.44 -0.01 0.44 0.00 -2.33 0.00 0.00 43.42 41.96 1pkl n LEU 431 CO 0.38 -0.00 0.82 0.59 -1.33 0.00 0.00 177.39 177.85 1pkl n ASN 432 N -1.01 0.47 -0.94 -1.43 3.02 -0.66 -2.13 115.26 112.58 1pkl n ASN 432 Ca 0.17 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.44 1pkl n ASN 432 Cb 0.08 -0.71 0.15 0.00 -0.61 0.00 0.00 39.78 38.69 1pkl n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pkl n ILE 433 N -2.01 0.31 -3.72 2.41 -5.35 -1.19 -4.79 119.36 105.01 1pkl n ILE 433 Ca 0.03 -0.65 -0.37 0.00 -0.27 0.00 0.00 62.75 61.48 1pkl n ILE 433 Cb 0.22 1.15 -0.12 0.00 -1.74 0.00 0.00 39.64 39.14 1pkl n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1pkl s THR 434 N -1.50 4.67 0.43 7.28 2.01 -0.91 -4.51 115.64 123.12 1pkl s THR 434 Ca 0.30 -0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1pkl s THR 434 Cb 0.19 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 1pkl s THR 434 CO 0.27 0.32 1.40 -1.58 -0.69 0.00 0.00 174.62 174.34 1pkl s GLN 435 N 1.56 3.80 -0.44 4.92 -0.44 -1.26 -3.68 119.66 124.11 1pkl s GLN 435 Ca 0.06 2.36 0.00 0.00 -2.50 0.00 0.00 55.36 55.29 1pkl s GLN 435 Cb -0.15 -2.71 0.00 0.00 -1.64 0.00 0.00 33.01 28.51 1pkl s GLN 435 CO 0.06 -0.71 0.00 0.41 0.50 0.00 0.00 175.29 175.55 1pkl n GLY 436 N 0.59 0.64 3.38 2.59 0.00 0.16 -4.94 105.19 107.60 1pkl n GLY 436 Ca 0.04 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1pkl n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkl s VAL 437 N -1.88 2.17 -0.02 1.61 1.01 -1.24 -2.27 120.40 119.79 1pkl s VAL 437 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1pkl s VAL 437 Cb 0.00 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1pkl s VAL 437 CO 0.00 0.01 0.00 -1.61 0.00 0.00 0.00 175.10 173.50 1pkl s GLU 438 N -2.19 0.15 -0.03 2.72 2.02 -0.51 -4.96 118.70 115.89 1pkl s GLU 438 Ca 0.14 0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.16 1pkl s GLU 438 Cb -0.09 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 1pkl s GLU 438 CO 0.07 -0.08 0.12 -1.12 0.02 0.00 0.00 175.26 174.27 1pkl s SER 439 N 0.64 6.03 -0.17 -0.19 0.01 -1.26 -0.17 113.70 118.60 1pkl s SER 439 Ca -0.06 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.49 1pkl s SER 439 Cb -0.09 -1.84 0.02 0.00 0.21 0.00 0.00 66.02 64.33 1pkl s SER 439 CO -0.01 0.30 -0.17 -0.69 0.41 0.00 0.00 173.24 173.07 1pkl s VAL 440 N -1.19 1.85 -0.06 3.43 1.01 0.14 -4.92 120.40 120.65 1pkl s VAL 440 Ca 0.22 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1pkl s VAL 440 Cb -0.12 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1pkl s VAL 440 CO 0.13 0.50 0.86 0.12 0.00 0.00 0.00 175.10 176.71 1pkl s PHE 441 N 1.37 3.58 -0.28 5.22 5.36 -1.26 -1.67 117.98 130.30 1pkl s PHE 441 Ca 0.05 1.46 -0.02 0.00 -0.96 0.00 0.00 56.93 57.46 1pkl s PHE 441 Cb -0.13 -3.00 0.04 0.00 -0.34 0.00 0.00 43.02 39.59 1pkl s PHE 441 CO -0.12 -0.03 -0.02 0.12 -1.46 0.00 0.00 175.22 173.71 1pkl s PHE 442 N 1.21 3.18 -0.81 10.12 5.36 0.11 -4.94 117.98 132.21 1pkl s PHE 442 Ca 0.44 -1.66 -0.26 0.00 -0.96 0.00 0.00 56.93 54.50 1pkl s PHE 442 Cb -0.19 -2.10 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1pkl s PHE 442 CO 0.21 -0.75 1.52 0.34 -1.46 0.00 0.00 175.22 175.08 1pkl s ASP 443 N 1.31 5.94 0.49 6.13 -1.08 -1.26 -4.16 116.67 124.05 1pkl s ASP 443 Ca -0.02 -0.57 0.24 0.00 -0.52 0.00 0.00 52.55 51.67 1pkl s ASP 443 Cb -0.18 -2.56 1.30 0.00 -1.46 0.00 0.00 42.92 40.02 1pkl s ASP 443 CO -0.02 -1.97 2.03 0.00 0.52 0.00 0.00 175.17 175.72 1pkl h ALA 444 N 11.11 1.34 0.13 3.66 0.00 -1.85 -1.29 119.26 132.37 1pkl h ALA 444 Ca -0.11 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 1pkl h ALA 444 Cb 1.06 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.85 1pkl h ALA 444 CO 1.30 0.19 -1.16 -0.44 0.00 0.00 0.00 179.25 179.14 1pkl h ASP 445 N 0.00 0.79 0.67 0.00 3.32 -1.89 -1.30 116.42 118.00 1pkl h ASP 445 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.20 1pkl h ASP 445 Cb 0.38 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1pkl h ASP 445 CO 0.02 1.56 -0.21 1.17 -1.72 0.00 0.00 179.24 180.06 1pkl n LYS 446 N -3.87 0.16 -0.18 3.56 4.81 -1.11 -4.19 118.16 117.33 1pkl n LYS 446 Ca -0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1pkl n LYS 446 Cb 0.95 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.51 1pkl n LYS 446 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1pkl n LEU 447 N -1.37 0.27 -0.48 3.14 4.77 -0.50 -5.08 117.00 117.75 1pkl n LEU 447 Ca 0.08 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1pkl n LEU 447 Cb 0.32 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1pkl n LEU 447 CO 0.29 0.16 -0.14 0.61 -1.33 0.00 0.00 177.39 176.98 1pkl n GLY 448 N -0.11 -3.29 0.45 -0.72 0.00 -0.50 -4.58 105.19 96.44 1pkl n GLY 448 Ca 0.01 -1.11 0.25 0.00 0.00 0.00 0.00 46.02 45.17 1pkl n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1pkl h HIS 449 N 0.22 0.00 -5.45 1.61 3.86 -1.92 -3.43 115.15 110.05 1pkl h HIS 449 Ca 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 1pkl h HIS 449 Cb 0.18 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.79 1pkl h HIS 449 CO 0.01 0.00 -0.67 -3.47 0.86 0.00 0.00 177.93 174.67 1pkl n ASP 450 N -3.76 -4.33 -4.77 2.45 2.03 -1.26 -4.94 116.55 101.96 1pkl n ASP 450 Ca 0.15 -0.53 -0.41 0.00 0.52 0.00 0.00 54.79 54.51 1pkl n ASP 450 Cb 0.94 -4.74 -0.01 0.00 -0.72 0.00 0.00 41.12 36.59 1pkl n ASP 450 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1pkl s GLU 451 N -5.81 4.13 0.00 -0.67 2.02 -1.26 -1.12 118.70 116.00 1pkl s GLU 451 Ca 0.31 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.84 1pkl s GLU 451 Cb -0.14 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1pkl s GLU 451 CO 0.68 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1pkl n GLY 452 N 0.93 1.92 2.40 -1.39 0.00 -1.26 -4.75 105.19 103.05 1pkl n GLY 452 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1pkl n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pkl n LYS 453 N -1.47 -2.12 0.12 1.61 5.02 -0.27 -4.91 118.16 116.15 1pkl n LYS 453 Ca 0.00 0.64 -0.20 0.00 -2.02 0.00 0.00 58.31 56.73 1pkl n LYS 453 Cb 0.00 -5.22 -0.14 0.00 -0.02 0.00 0.00 35.03 29.65 1pkl n LYS 453 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pkl h GLU 454 N 0.00 0.40 -0.29 1.97 4.39 -1.86 -3.22 114.58 115.98 1pkl h GLU 454 Ca -0.31 -0.67 -0.14 0.00 0.34 0.00 0.00 59.36 58.58 1pkl h GLU 454 Cb 1.20 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 1pkl h GLU 454 CO 0.37 1.32 -0.40 0.45 -1.16 0.00 0.00 179.01 179.59 1pkl h HIS 455 N 0.12 0.83 -0.48 4.33 3.86 -1.90 -2.52 115.15 119.39 1pkl h HIS 455 Ca -0.19 -0.25 -0.09 0.00 -1.16 0.00 0.00 60.37 58.69 1pkl h HIS 455 Cb 2.04 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 30.32 1pkl h HIS 455 CO 0.09 0.99 -0.05 0.00 0.86 0.00 0.00 177.93 179.82 1pkl h ARG 456 N 0.57 0.88 -0.64 2.45 3.08 -1.92 -0.72 114.38 118.09 1pkl h ARG 456 Ca 0.05 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1pkl h ARG 456 Cb 0.94 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1pkl h ARG 456 CO 0.09 0.94 0.34 0.28 -1.07 0.00 0.00 179.97 180.55 1pkl h VAL 457 N 0.73 1.21 -0.68 2.04 2.07 -1.55 -0.84 116.25 119.23 1pkl h VAL 457 Ca 0.13 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1pkl h VAL 457 Cb 0.58 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1pkl h VAL 457 CO 0.03 0.23 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1pkl h ALA 458 N 1.16 0.88 -0.34 1.67 0.00 -1.24 -0.83 119.26 120.56 1pkl h ALA 458 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pkl h ALA 458 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pkl h ALA 458 CO -0.03 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.87 1pkl h ALA 459 N 1.16 0.44 -0.70 0.00 0.00 -0.58 0.75 119.26 120.32 1pkl h ALA 459 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pkl h ALA 459 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1pkl h ALA 459 CO -0.03 -0.09 0.34 0.78 0.00 0.00 0.00 179.25 180.25 1pkl h GLY 460 N 0.46 1.07 1.37 0.00 0.00 -0.75 -1.82 103.07 103.40 1pkl h GLY 460 Ca 0.13 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1pkl h GLY 460 CO -0.03 0.50 -0.30 -2.08 0.00 0.00 0.00 176.54 174.64 1pkl h VAL 461 N 0.97 1.28 -0.52 4.60 2.07 -0.83 -2.00 116.25 121.82 1pkl h VAL 461 Ca 0.24 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1pkl h VAL 461 Cb 0.11 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1pkl h VAL 461 CO -0.03 0.47 0.03 1.05 0.02 0.00 0.00 177.57 179.10 1pkl h GLU 462 N 0.60 0.85 -0.23 1.57 4.11 -0.58 0.10 114.58 121.01 1pkl h GLU 462 Ca 0.07 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 1pkl h GLU 462 Cb 0.81 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pkl h GLU 462 CO 0.07 0.84 0.03 0.35 0.07 0.00 0.00 179.01 180.36 1pkl h PHE 463 N 0.80 0.41 -0.94 2.06 3.57 -1.16 0.60 116.94 122.28 1pkl h PHE 463 Ca 0.16 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1pkl h PHE 463 Cb 0.44 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1pkl h PHE 463 CO 0.03 0.53 0.55 0.00 -2.23 0.00 0.00 178.31 177.18 1pkl h ALA 464 N 0.84 1.21 -0.20 2.41 0.00 -1.02 0.52 119.26 123.02 1pkl h ALA 464 Ca 0.07 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1pkl h ALA 464 Cb 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1pkl h ALA 464 CO 0.01 0.67 -0.62 -0.22 0.00 0.00 0.00 179.25 179.08 1pkl h LYS 465 N 1.29 0.78 0.00 0.00 3.64 -0.47 0.52 116.57 122.32 1pkl h LYS 465 Ca 0.33 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1pkl h LYS 465 Cb -0.04 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1pkl h LYS 465 CO -0.06 1.19 0.00 0.66 -2.27 0.00 0.00 179.45 178.97 1pkl h SER 466 N 0.51 0.00 0.51 4.20 4.64 0.51 -2.71 113.55 121.22 1pkl h SER 466 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1pkl h SER 466 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pkl h SER 466 CO 0.13 0.00 -0.50 0.29 -0.87 0.00 0.00 176.83 175.88 1pkl n LYS 467 N -3.09 0.01 -0.74 4.77 4.76 0.15 -4.96 118.16 119.06 1pkl n LYS 467 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1pkl n LYS 467 Cb 0.37 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1pkl n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pkl n GLY 468 N 1.50 0.57 0.12 0.72 0.00 -0.92 -4.97 105.19 102.21 1pkl n GLY 468 Ca 0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1pkl n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pkl h TYR 469 N 0.00 0.48 -3.65 1.61 0.05 -1.15 -3.47 116.97 110.84 1pkl h TYR 469 Ca 0.00 -0.28 -0.49 0.00 0.05 0.00 0.00 58.73 58.00 1pkl h TYR 469 Cb 0.00 -0.04 -0.20 0.00 1.01 0.00 0.00 36.73 37.50 1pkl h TYR 469 CO 0.00 1.13 -0.79 0.14 -1.05 0.00 0.00 178.16 177.59 1pkl s VAL 470 N -2.94 1.58 0.08 -2.88 -7.23 -1.20 -4.79 120.40 103.02 1pkl s VAL 470 Ca -0.14 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1pkl s VAL 470 Cb 0.02 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1pkl s VAL 470 CO 0.80 -0.25 0.01 0.00 -0.31 0.00 0.00 175.10 175.35 1pkl s GLN 471 N -2.35 0.72 -0.04 4.82 -2.07 -1.26 -4.26 119.66 115.21 1pkl s GLN 471 Ca 0.09 -1.27 -0.40 0.00 -1.82 0.00 0.00 55.36 51.95 1pkl s GLN 471 Cb -0.07 0.23 -0.20 0.00 -1.09 0.00 0.00 33.01 31.88 1pkl s GLN 471 CO 0.04 -0.16 1.14 2.41 -1.32 0.00 0.00 175.29 177.40 1pkl n THR 472 N 0.04 0.00 0.00 3.63 -1.04 -1.26 -0.59 114.28 115.06 1pkl n THR 472 Ca -0.12 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1pkl n THR 472 Cb 0.62 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1pkl n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pkl n GLY 473 N 1.80 2.83 3.88 3.41 0.00 0.21 -4.94 105.19 112.37 1pkl n GLY 473 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1pkl n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkl s ASP 474 N -1.24 6.29 -0.08 1.61 1.01 0.24 -4.74 116.67 119.75 1pkl s ASP 474 Ca 0.00 1.29 -0.09 0.00 0.71 0.00 0.00 52.55 54.45 1pkl s ASP 474 Cb 0.00 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1pkl s ASP 474 CO 0.00 -0.75 0.22 -0.31 0.21 0.00 0.00 175.17 174.55 1pkl s TYR 475 N -2.98 3.64 -0.06 4.23 2.02 -1.26 0.14 117.35 123.08 1pkl s TYR 475 Ca 0.53 0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 57.89 1pkl s TYR 475 Cb -0.11 -2.05 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1pkl s TYR 475 CO 0.49 0.71 -0.00 0.00 -1.57 0.00 0.00 175.55 175.17 1pkl s VAL 477 N 1.70 5.03 -0.11 0.00 1.01 -0.86 -0.01 120.40 127.16 1pkl s VAL 477 Ca 0.01 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.16 1pkl s VAL 477 Cb -0.13 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1pkl s VAL 477 CO -0.04 0.12 -0.02 -0.69 0.00 0.00 0.00 175.10 174.48 1pkl s VAL 478 N 1.81 4.11 0.16 2.92 1.01 0.90 -0.44 120.40 130.88 1pkl s VAL 478 Ca 0.29 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1pkl s VAL 478 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1pkl s VAL 478 CO 0.11 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.96 1pkl s ILE 479 N -0.41 1.79 -0.30 2.22 -1.09 0.27 -1.03 121.20 122.65 1pkl s ILE 479 Ca 0.07 -1.92 -0.03 0.00 -2.23 0.00 0.00 60.65 56.54 1pkl s ILE 479 Cb -0.12 -1.84 0.18 0.00 -1.58 0.00 0.00 42.46 39.10 1pkl s ILE 479 CO 0.02 -0.34 0.61 -2.28 -1.23 0.00 0.00 174.94 171.73 1pkl s HIS 480 N -2.11 -1.55 -0.14 3.97 5.65 -0.67 -2.34 115.29 118.09 1pkl s HIS 480 Ca 0.16 1.85 -0.04 0.00 0.25 0.00 0.00 55.06 57.27 1pkl s HIS 480 Cb -0.05 0.62 0.07 0.00 -1.18 0.00 0.00 32.58 32.04 1pkl s HIS 480 CO 0.06 -0.83 0.24 0.00 -0.65 0.00 0.00 174.74 173.56 1pkl s ALA 481 N 2.87 -0.42 0.39 1.58 0.00 -1.26 -0.58 121.76 124.33 1pkl s ALA 481 Ca 0.15 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1pkl s ALA 481 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1pkl s ALA 481 CO -0.21 -0.80 0.00 0.00 0.00 0.00 0.00 175.76 174.75 1pkl n ALA 489 N 5.34 -1.64 0.00 0.00 0.00 -1.26 -4.92 120.51 118.03 1pkl n ALA 489 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1pkl n ALA 489 Cb 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1pkl n ALA 489 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pkl n ASN 490 N -2.20 0.00 -3.64 0.00 2.85 -1.26 -5.02 115.26 106.00 1pkl n ASN 490 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1pkl n ASN 490 Cb 0.27 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.25 1pkl n ASN 490 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1pkl s GLN 491 N -1.28 0.05 -0.07 1.20 0.74 0.25 -5.00 119.66 115.55 1pkl s GLN 491 Ca 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 55.36 55.37 1pkl s GLN 491 Cb 0.00 0.02 0.02 0.00 1.10 0.00 0.00 33.01 34.15 1pkl s GLN 491 CO 0.00 -0.02 0.17 0.99 -0.55 0.00 0.00 175.29 175.88 1pkl s THR 492 N -0.98 -0.01 0.04 -0.34 2.01 -1.26 -1.67 115.64 113.44 1pkl s THR 492 Ca 0.09 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1pkl s THR 492 Cb -0.01 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1pkl s THR 492 CO -0.08 0.01 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.66 1pkl s ARG 493 N 0.27 0.52 -0.26 4.92 0.52 -0.20 -4.99 118.95 119.73 1pkl s ARG 493 Ca -0.02 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 1pkl s ARG 493 Cb -0.03 -0.24 0.06 0.00 0.52 0.00 0.00 34.95 35.27 1pkl s ARG 493 CO -0.01 0.03 -0.09 0.42 0.02 0.00 0.00 175.30 175.67 1pkl s ILE 494 N -1.52 2.10 0.54 1.52 1.01 -1.26 -0.07 121.20 123.52 1pkl s ILE 494 Ca -0.09 -1.65 0.04 0.00 0.00 0.00 0.00 60.65 58.95 1pkl s ILE 494 Cb -0.09 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.17 1pkl s ILE 494 CO -0.00 -0.09 0.75 -0.76 0.00 0.00 0.00 174.94 174.84 1pkl s LEU 495 N 1.12 3.31 -0.29 2.97 1.43 0.98 -4.90 118.68 123.29 1pkl s LEU 495 Ca -0.07 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1pkl s LEU 495 Cb -0.20 -2.47 0.08 0.00 0.03 0.00 0.00 46.19 43.63 1pkl s LEU 495 CO -0.05 -1.18 -0.04 -0.22 0.23 0.00 0.00 176.35 175.09 1pkl s LEU 496 N -4.69 3.98 0.26 1.79 2.96 -1.26 -1.97 118.68 119.75 1pkl s LEU 496 Ca 0.59 -1.72 -0.31 0.00 -0.22 0.00 0.00 54.13 52.47 1pkl s LEU 496 Cb -0.09 -1.57 -0.13 0.00 0.50 0.00 0.00 46.19 44.91 1pkl s LEU 496 CO 0.38 -0.27 1.47 0.52 -1.32 0.00 0.00 176.35 177.12 1pkl n VAL 497 N 4.36 1.00 1.24 1.68 0.31 0.37 -4.80 118.33 122.50 1pkl n VAL 497 Ca -0.06 -0.25 0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1pkl n VAL 497 Cb 0.42 -1.65 0.31 0.00 -0.91 0.00 0.00 33.84 32.01 1pkl n VAL 497 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89