#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 0.38 -0.88 4.33 4.15 -1.99 -3.09 115.11 118.01 1pkl h GLN 2 Ca 0.00 -0.65 0.07 0.00 0.77 0.00 0.00 58.65 58.84 1pkl h GLN 2 Cb 0.00 0.24 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 1pkl h GLN 2 CO 0.00 1.30 0.57 1.25 -1.93 0.00 0.00 178.83 180.02 1pkl h LEU 3 N 0.10 0.87 -0.47 -2.39 6.46 -2.01 0.14 115.31 118.02 1pkl h LEU 3 Ca -0.21 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.41 1pkl h LEU 3 Cb 2.06 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1pkl h LEU 3 CO 0.22 0.56 -0.36 0.00 -0.62 0.00 0.00 178.44 178.24 1pkl h ALA 4 N 1.52 0.65 -0.74 1.25 0.00 -2.02 -3.16 119.26 116.77 1pkl h ALA 4 Ca 0.38 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1pkl h ALA 4 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1pkl h ALA 4 CO -0.14 0.67 0.32 1.25 0.00 0.00 0.00 179.25 181.35 1pkl h HIS 5 N 0.72 1.10 -0.23 0.00 -0.00 -1.01 -2.51 115.15 113.21 1pkl h HIS 5 Ca 0.06 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1pkl h HIS 5 Cb 0.94 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1pkl h HIS 5 CO 0.06 0.83 0.16 -0.91 -0.00 0.00 0.00 177.93 178.06 1pkl h ASN 6 N 1.05 0.18 0.35 3.26 2.35 -1.01 -2.11 115.58 119.64 1pkl h ASN 6 Ca 0.25 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1pkl h ASN 6 Cb 0.17 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1pkl h ASN 6 CO -0.02 0.13 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.54 1pkl h LEU 7 N 0.21 0.00 0.00 1.61 3.38 -1.45 -2.91 115.31 116.15 1pkl h LEU 7 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pkl h LEU 7 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pkl h LEU 7 CO -0.02 0.27 -0.54 0.35 0.09 0.00 0.00 178.44 178.60 1pkl n THR 8 N -4.04 0.12 -1.67 0.22 -2.24 -0.80 -4.96 114.28 100.90 1pkl n THR 8 Ca -0.02 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 1pkl n THR 8 Cb 0.34 0.09 0.09 0.00 -2.10 0.00 0.00 70.33 68.74 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 -3.42 2.58 -0.26 3.22 1.43 -1.10 -5.10 118.68 116.03 1pkl s LEU 9 Ca 0.09 1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 54.16 1pkl s LEU 9 Cb 0.16 -3.76 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1pkl s LEU 9 CO 0.70 -1.88 0.66 -0.55 0.23 0.00 0.00 176.35 175.51 1pkl s SER 10 N -4.11 -0.80 0.00 2.29 0.15 -1.26 -5.05 113.70 104.91 1pkl s SER 10 Ca 0.61 1.40 0.29 0.00 0.70 0.00 0.00 55.95 58.95 1pkl s SER 10 Cb -0.13 1.34 1.33 0.00 -1.71 0.00 0.00 66.02 66.85 1pkl s SER 10 CO 0.53 -0.23 1.95 2.30 1.20 0.00 0.00 173.24 178.98 1pkl n ILE 11 N 3.59 0.00 0.66 6.45 -5.35 -1.26 -3.51 119.36 119.94 1pkl n ILE 11 Ca -0.17 -0.01 0.09 0.00 -0.27 0.00 0.00 62.75 62.38 1pkl n ILE 11 Cb 0.57 -0.39 0.25 0.00 -1.74 0.00 0.00 39.64 38.33 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 -1.30 0.51 -3.09 4.28 3.72 -1.26 -4.90 117.46 115.42 1pkl n PHE 12 Ca 0.12 -0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 57.02 1pkl n PHE 12 Cb 0.28 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.20 6.16 0.15 4.37 1.01 -1.23 -5.05 116.67 120.88 1pkl s ASP 13 Ca 0.32 0.53 -0.30 0.00 0.71 0.00 0.00 52.55 53.82 1pkl s ASP 13 Cb 0.17 -1.96 -0.07 0.00 1.01 0.00 0.00 42.92 42.07 1pkl s ASP 13 CO 0.24 -0.48 1.08 -2.16 0.21 0.00 0.00 175.17 174.07 1pkl s PRO 14 N -4.49 4.59 -0.51 8.23 0.04 -1.26 -4.98 135.00 136.61 1pkl s PRO 14 Ca 0.44 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 1pkl s PRO 14 Cb -0.10 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1pkl s PRO 14 CO 0.39 0.06 0.98 0.14 0.04 0.00 0.00 177.00 178.61 1pkl s VAL 15 N -0.02 4.36 -0.52 -0.36 -7.23 -1.26 -4.96 120.40 110.41 1pkl s VAL 15 Ca 0.50 0.62 -0.31 0.00 -1.81 0.00 0.00 61.98 60.98 1pkl s VAL 15 Cb -0.28 -4.53 -0.12 0.00 0.56 0.00 0.00 36.38 32.02 1pkl s VAL 15 CO 0.33 -1.03 2.38 0.00 -0.31 0.00 0.00 175.10 176.47 1pkl n ALA 16 N 7.51 0.87 -1.95 1.32 0.00 -1.26 -4.77 120.51 122.23 1pkl n ALA 16 Ca 0.05 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.81 1pkl n ALA 16 Cb 0.48 -2.75 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 1pkl n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pkl s ASN 17 N 9.46 4.90 -0.20 0.00 4.22 -1.26 -4.82 114.94 127.24 1pkl s ASN 17 Ca 1.10 -0.42 -0.11 0.00 -2.14 0.00 0.00 52.86 51.29 1pkl s ASN 17 Cb -0.66 -2.55 0.07 0.00 1.28 0.00 0.00 41.25 39.38 1pkl s ASN 17 CO 0.40 -2.93 0.48 -0.47 -2.04 0.00 0.00 177.10 172.54 1pkl s TYR 18 N 10.94 -0.76 -0.18 1.54 5.04 -1.26 -5.15 117.35 127.52 1pkl s TYR 18 Ca 0.75 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.92 1pkl s TYR 18 Cb -0.09 0.38 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1pkl s TYR 18 CO 0.03 -0.41 -0.17 0.50 -1.34 0.00 0.00 175.55 174.16 1pkl s ARG 19 N 1.63 3.07 -0.04 4.97 3.52 -1.26 -4.87 118.95 125.97 1pkl s ARG 19 Ca -0.09 -0.79 -0.12 0.00 -0.13 0.00 0.00 55.73 54.60 1pkl s ARG 19 Cb -0.08 -2.64 -0.32 0.00 -1.56 0.00 0.00 34.95 30.36 1pkl s ARG 19 CO -0.15 -0.17 0.72 0.00 -0.81 0.00 0.00 175.30 174.89 1pkl h ALA 20 N 7.87 0.10 -2.71 6.12 0.00 -1.95 -3.44 119.26 125.24 1pkl h ALA 20 Ca -0.43 -1.10 -0.53 0.00 0.00 0.00 0.00 54.91 52.85 1pkl h ALA 20 Cb 1.15 0.42 0.13 0.00 0.00 0.00 0.00 17.79 19.48 1pkl h ALA 20 CO 0.62 0.97 0.43 0.00 0.00 0.00 0.00 179.25 181.27 1pkl s ALA 21 N -2.58 2.37 0.09 0.00 0.00 -1.26 -0.19 121.76 120.18 1pkl s ALA 21 Ca -0.15 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1pkl s ALA 21 Cb 0.05 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1pkl s ALA 21 CO 0.87 -1.45 -0.11 1.03 0.00 0.00 0.00 175.76 176.10 1pkl s ARG 22 N -3.68 2.15 -0.16 0.00 1.81 -0.49 -4.88 118.95 113.70 1pkl s ARG 22 Ca 0.74 -0.99 -0.02 0.00 -1.72 0.00 0.00 55.73 53.74 1pkl s ARG 22 Cb -0.28 -2.30 -0.02 0.00 -0.45 0.00 0.00 34.95 31.90 1pkl s ARG 22 CO 0.39 0.52 -0.08 0.42 -0.68 0.00 0.00 175.30 175.87 1pkl s ILE 23 N -1.15 3.39 -0.17 1.52 1.01 -1.26 -1.18 121.20 123.36 1pkl s ILE 23 Ca 0.20 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1pkl s ILE 23 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1pkl s ILE 23 CO 0.12 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.93 1pkl s ILE 24 N 0.60 4.27 -0.06 2.92 1.01 -0.53 -1.04 121.20 128.37 1pkl s ILE 24 Ca -0.05 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.44 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 0.03 0.47 -0.25 0.00 0.00 0.00 0.00 174.94 175.19 1pkl s THR 26 N -0.13 4.90 0.26 0.00 2.01 -0.48 -0.33 115.64 121.87 1pkl s THR 26 Ca -0.05 1.52 -0.28 0.00 0.31 0.00 0.00 61.69 63.20 1pkl s THR 26 Cb -0.14 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 1pkl s THR 26 CO 0.04 0.02 0.92 -0.63 -0.69 0.00 0.00 174.62 174.28 1pkl s ILE 27 N 2.29 4.17 0.00 1.82 -1.09 -0.54 -2.33 121.20 125.52 1pkl s ILE 27 Ca 0.35 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 60.70 1pkl s ILE 27 Cb -0.16 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1pkl s ILE 27 CO 0.11 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1pkl n GLY 28 N 1.12 2.99 0.38 6.18 0.00 -1.25 -4.73 105.19 109.88 1pkl n GLY 28 Ca -0.01 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 0.61 -0.33 1.61 0.11 -1.75 0.21 132.00 132.47 1pkl h PRO 29 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pkl h PRO 29 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1pkl h PRO 29 CO 0.00 0.40 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 1pkl n SER 30 N -4.57 2.47 -0.04 -2.05 3.41 -1.03 -4.40 113.62 107.42 1pkl n SER 30 Ca 0.18 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1pkl n SER 30 Cb 0.53 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.85 0.00 0.09 6.66 -2.24 -0.49 -4.93 114.28 114.22 1pkl n THR 31 Ca 0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.91 1pkl n THR 31 Cb 0.44 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 -7.21 -0.78 4.15 -0.84 -3.35 115.11 107.08 1pkl h GLN 32 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 1pkl h GLN 32 Cb 1.03 0.00 0.16 0.00 0.21 0.00 0.00 27.48 28.88 1pkl h GLN 32 CO 0.00 0.85 0.35 -1.54 -1.93 0.00 0.00 178.83 176.56 1pkl s SER 33 N -6.71 4.02 0.14 -0.69 1.04 -1.26 -4.80 113.70 105.43 1pkl s SER 33 Ca 0.01 2.24 -0.19 0.00 0.48 0.00 0.00 55.95 58.49 1pkl s SER 33 Cb 0.10 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.65 1pkl s SER 33 CO 0.80 -2.37 1.73 0.58 0.98 0.00 0.00 173.24 174.96 1pkl h VAL 34 N -0.68 0.88 -0.74 5.02 2.07 -1.90 -0.95 116.25 119.94 1pkl h VAL 34 Ca -0.46 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1pkl h VAL 34 Cb 1.28 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1pkl h VAL 34 CO 0.48 0.02 0.43 -0.33 0.02 0.00 0.00 177.57 178.20 1pkl h GLU 35 N 0.14 1.01 -0.22 1.57 4.39 -1.94 -0.09 114.58 119.43 1pkl h GLU 35 Ca 0.12 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1pkl h GLU 35 Cb 0.12 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1pkl h GLU 35 CO -0.16 0.72 -0.32 0.00 -1.16 0.00 0.00 179.01 178.09 1pkl h ALA 36 N 1.45 1.03 -0.40 3.43 0.00 -1.73 -2.18 119.26 120.87 1pkl h ALA 36 Ca 0.26 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1pkl h ALA 36 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pkl h ALA 36 CO -0.05 0.59 -0.38 -0.07 0.00 0.00 0.00 179.25 179.35 1pkl h LEU 37 N 0.40 1.01 -0.97 0.00 3.38 -0.14 -1.94 115.31 117.05 1pkl h LEU 37 Ca 0.05 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1pkl h LEU 37 Cb 0.76 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1pkl h LEU 37 CO 0.06 1.26 0.07 0.11 0.09 0.00 0.00 178.44 180.03 1pkl h LYS 38 N 0.78 0.82 -0.50 1.13 1.57 -0.92 0.66 116.57 120.12 1pkl h LYS 38 Ca 0.07 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1pkl h LYS 38 Cb 0.97 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1pkl h LYS 38 CO 0.09 0.78 0.02 0.78 -0.57 0.00 0.00 179.45 180.55 1pkl h GLY 39 N 0.97 0.88 0.98 3.86 0.00 -1.21 0.15 103.07 108.70 1pkl h GLY 39 Ca 0.16 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1pkl h GLY 39 CO 0.01 0.53 -0.17 -2.00 0.00 0.00 0.00 176.54 174.92 1pkl h LEU 40 N 0.76 0.78 -0.33 3.11 5.85 -0.56 -1.00 115.31 123.91 1pkl h LEU 40 Ca 0.15 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1pkl h LEU 40 Cb 0.43 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1pkl h LEU 40 CO 0.02 1.01 0.14 0.40 -0.34 0.00 0.00 178.44 179.66 1pkl h ILE 41 N 0.55 1.18 0.00 4.05 2.04 -0.54 -1.66 117.51 123.13 1pkl h ILE 41 Ca 0.08 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1pkl h ILE 41 Cb 0.71 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1pkl h ILE 41 CO 0.05 0.20 0.00 1.56 0.00 0.00 0.00 178.15 179.96 1pkl h GLN 42 N 0.39 0.00 0.00 2.37 4.20 -0.59 -2.41 115.11 119.07 1pkl h GLN 42 Ca 0.11 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1pkl h GLN 42 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1pkl h GLN 42 CO -0.01 0.00 -0.75 0.77 -0.67 0.00 0.00 178.83 178.17 1pkl h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.53 -3.48 113.55 111.02 1pkl h SER 43 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pkl h SER 43 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1pkl h SER 43 CO 0.00 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 1pkl n GLY 44 N 1.23 -0.67 3.73 -3.77 0.00 -0.79 -3.86 105.19 101.07 1pkl n GLY 44 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 4.55 -0.07 1.61 0.00 -0.70 -4.27 119.30 120.43 1pkl s MET 45 Ca 0.00 1.72 0.06 0.00 0.00 0.00 0.00 55.69 57.47 1pkl s MET 45 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 34.83 31.44 1pkl s MET 45 CO 0.00 -0.01 0.03 0.43 0.00 0.00 0.00 175.02 175.46 1pkl n SER 46 N 2.82 3.22 -4.04 1.11 7.64 -0.21 -4.65 113.62 119.50 1pkl n SER 46 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 1pkl n SER 46 Cb 0.46 0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 64.21 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 -2.18 0.92 -0.33 0.44 1.01 -1.13 -2.17 120.40 116.96 1pkl s VAL 47 Ca -0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1pkl s VAL 47 Cb 0.02 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1pkl s VAL 47 CO 0.30 0.27 0.14 0.00 0.00 0.00 0.00 175.10 175.81 1pkl s ALA 48 N -0.01 3.19 -0.15 5.51 0.00 -0.27 -1.02 121.76 129.01 1pkl s ALA 48 Ca -0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 1pkl s ALA 48 Cb -0.07 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 1pkl s ALA 48 CO 0.00 -1.10 0.30 0.50 0.00 0.00 0.00 175.76 175.47 1pkl s ARG 49 N 1.54 4.22 -0.36 0.00 3.52 0.55 -1.41 118.95 127.00 1pkl s ARG 49 Ca 0.02 0.11 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 1pkl s ARG 49 Cb -0.18 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1pkl s ARG 49 CO 0.05 0.27 0.17 -1.64 -0.81 0.00 0.00 175.30 173.34 1pkl s MET 50 N 0.36 2.71 -0.73 5.12 -1.94 0.22 -1.47 119.30 123.57 1pkl s MET 50 Ca 0.17 -1.15 -0.27 0.00 -1.71 0.00 0.00 55.69 52.73 1pkl s MET 50 Cb -0.13 -3.62 0.03 0.00 2.01 0.00 0.00 34.83 33.12 1pkl s MET 50 CO 0.04 -0.71 1.26 1.21 -0.01 0.00 0.00 175.02 176.82 1pkl s ASN 51 N 1.53 6.17 0.00 3.03 3.84 -1.26 -0.24 114.94 128.01 1pkl s ASN 51 Ca 0.00 -0.45 0.18 0.00 0.21 0.00 0.00 52.86 52.81 1pkl s ASN 51 Cb -0.20 -2.55 1.09 0.00 -0.55 0.00 0.00 41.25 39.04 1pkl s ASN 51 CO 0.05 -1.81 1.58 0.49 -2.79 0.00 0.00 177.10 174.62 1pkl n PHE 52 N 9.28 0.00 1.30 0.43 3.01 -0.16 -3.32 117.46 128.01 1pkl n PHE 52 Ca 0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.62 1pkl n PHE 52 Cb 0.49 0.00 0.68 0.00 -0.01 0.00 0.00 39.48 40.64 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 -0.85 0.00 -3.87 4.37 3.41 -1.26 -4.63 113.62 110.80 1pkl n SER 53 Ca 0.14 -0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 1pkl n SER 53 Cb 0.06 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.50 0.12 0.00 7.33 3.76 -1.21 -5.05 115.29 117.75 1pkl s HIS 54 Ca 0.27 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1pkl s HIS 54 Cb 0.18 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.80 1pkl s HIS 54 CO 0.39 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 1pkl n GLY 55 N 0.36 -1.42 4.01 -2.22 0.00 -1.26 -4.87 105.19 99.78 1pkl n GLY 55 Ca -0.17 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.36 5.08 0.37 1.61 1.04 -1.26 -4.94 113.70 113.24 1pkl s SER 56 Ca 0.00 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.05 1pkl s SER 56 Cb 0.00 -0.21 0.72 0.00 0.10 0.00 0.00 66.02 66.63 1pkl s SER 56 CO 0.00 -1.30 1.87 0.45 0.98 0.00 0.00 173.24 175.24 1pkl h HIS 57 N 0.09 0.22 -0.09 5.02 -0.00 -1.98 -1.43 115.15 116.99 1pkl h HIS 57 Ca -0.36 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 59.85 1pkl h HIS 57 Cb 1.28 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 1pkl h HIS 57 CO 0.26 0.41 -0.50 1.49 -0.00 0.00 0.00 177.93 179.59 1pkl h GLU 58 N 0.19 0.23 -0.05 2.45 4.81 -1.98 -0.40 114.58 119.83 1pkl h GLU 58 Ca 0.04 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1pkl h GLU 58 Cb 0.48 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1pkl h GLU 58 CO 0.03 0.68 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.07 1pkl h TYR 59 N 0.18 0.10 0.00 0.92 3.20 -1.71 -2.77 116.97 116.89 1pkl h TYR 59 Ca 0.01 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1pkl h TYR 59 Cb 0.96 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1pkl h TYR 59 CO 0.02 0.42 -0.30 0.45 -1.64 0.00 0.00 178.16 177.11 1pkl h HIS 60 N -0.25 0.00 -0.37 -3.82 3.86 -1.24 -2.62 115.15 110.71 1pkl h HIS 60 Ca 0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1pkl h HIS 60 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1pkl h HIS 60 CO 0.05 0.30 -0.15 0.37 0.86 0.00 0.00 177.93 179.35 1pkl h GLN 61 N 0.00 0.68 -0.43 2.45 5.75 -0.98 -0.60 115.11 121.97 1pkl h GLN 61 Ca -0.00 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.21 1pkl h GLN 61 Cb 0.76 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 1pkl h GLN 61 CO 0.04 0.80 0.05 1.15 -2.65 0.00 0.00 178.83 178.22 1pkl h THR 62 N 0.61 1.25 -0.32 2.39 2.02 -1.18 -0.73 112.91 116.95 1pkl h THR 62 Ca 0.10 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1pkl h THR 62 Cb 0.61 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1pkl h THR 62 CO 0.04 0.32 0.20 0.74 0.37 0.00 0.00 175.52 177.19 1pkl h THR 63 N 0.58 1.10 -0.40 3.16 2.02 -1.21 0.89 112.91 119.04 1pkl h THR 63 Ca 0.13 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1pkl h THR 63 Cb 0.40 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1pkl h THR 63 CO 0.01 0.09 0.22 0.40 0.37 0.00 0.00 175.52 176.61 1pkl h ILE 64 N 0.42 1.00 -0.44 3.11 2.04 -0.92 0.01 117.51 122.73 1pkl h ILE 64 Ca 0.12 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 1pkl h ILE 64 Cb -0.02 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1pkl h ILE 64 CO -0.02 0.08 -0.28 0.78 0.00 0.00 0.00 178.15 178.71 1pkl h ASN 65 N 0.44 1.01 0.09 1.72 2.35 -0.85 -2.50 115.58 117.84 1pkl h ASN 65 Ca 0.17 -0.41 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 1pkl h ASN 65 Cb 0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1pkl h ASN 65 CO -0.10 1.21 -0.48 0.78 -1.65 0.00 0.00 177.43 177.19 1pkl h ASN 66 N 0.82 0.49 -0.12 5.81 2.35 -0.62 -2.27 115.58 122.04 1pkl h ASN 66 Ca 0.09 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1pkl h ASN 66 Cb 0.86 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1pkl h ASN 66 CO 0.08 0.89 -0.02 0.58 -1.65 0.00 0.00 177.43 177.31 1pkl h VAL 67 N 0.36 1.28 0.00 2.81 2.07 -0.97 -0.07 116.25 121.74 1pkl h VAL 67 Ca 0.02 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1pkl h VAL 67 Cb 0.97 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1pkl h VAL 67 CO 0.09 0.27 -0.11 0.03 0.02 0.00 0.00 177.57 177.87 1pkl h ARG 68 N -0.09 0.00 0.00 1.57 3.08 -1.42 -0.16 114.38 117.36 1pkl h ARG 68 Ca 0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1pkl h ARG 68 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1pkl h ARG 68 CO 0.01 0.11 -0.34 0.37 -1.07 0.00 0.00 179.97 179.05 1pkl h GLN 69 N 0.00 0.00 -0.80 0.04 4.15 -1.27 -2.30 115.11 114.93 1pkl h GLN 69 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1pkl h GLN 69 Cb 0.27 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.87 1pkl h GLN 69 CO 0.01 0.86 0.38 0.00 -1.93 0.00 0.00 178.83 178.16 1pkl h ALA 70 N -0.26 1.17 -0.29 3.38 0.00 -0.81 0.20 119.26 122.66 1pkl h ALA 70 Ca -0.09 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pkl h ALA 70 Cb 0.96 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pkl h ALA 70 CO -0.05 -0.12 0.03 0.00 0.00 0.00 0.00 179.25 179.11 1pkl h ALA 71 N 1.54 0.38 -0.06 0.00 0.00 -1.14 -2.50 119.26 117.48 1pkl h ALA 71 Ca 0.43 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1pkl h ALA 71 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1pkl h ALA 71 CO -0.36 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 178.94 1pkl h ALA 72 N 0.86 0.01 -0.78 0.00 0.00 -0.56 0.67 119.26 119.46 1pkl h ALA 72 Ca 0.09 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1pkl h ALA 72 Cb 0.37 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 72 CO 0.01 -0.52 0.42 0.93 0.00 0.00 0.00 179.25 180.09 1pkl h GLU 73 N -0.04 0.68 -0.00 0.00 5.08 -0.61 -1.33 114.58 118.35 1pkl h GLU 73 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkl h GLU 73 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1pkl h GLU 73 CO -0.08 0.45 -0.18 1.28 -1.00 0.00 0.00 179.01 179.48 1pkl n LEU 74 N -4.80 0.47 -0.53 1.33 4.77 -0.95 -4.96 117.00 112.33 1pkl n LEU 74 Ca 0.13 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1pkl n LEU 74 Cb 0.28 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1pkl n LEU 74 CO 0.26 0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 176.96 1pkl n GLY 75 N 1.36 0.41 3.76 -0.72 0.00 0.11 -5.04 105.19 105.06 1pkl n GLY 75 Ca 0.12 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.24 1.30 -0.18 1.61 -7.23 -0.51 -5.01 120.40 108.13 1pkl s VAL 76 Ca 0.00 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1pkl s VAL 76 Cb 0.00 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1pkl s VAL 76 CO 0.00 0.00 -0.17 0.20 -0.31 0.00 0.00 175.10 174.82 1pkl s ASN 77 N -3.90 3.38 -0.09 4.85 0.01 -1.26 -4.39 114.94 113.53 1pkl s ASN 77 Ca 0.11 -0.59 0.04 0.00 -0.71 0.00 0.00 52.86 51.71 1pkl s ASN 77 Cb 0.02 -1.53 -0.01 0.00 0.41 0.00 0.00 41.25 40.14 1pkl s ASN 77 CO 0.06 0.00 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.82 1pkl s ILE 78 N 1.28 2.40 0.48 0.60 -1.09 -1.26 -4.81 121.20 118.79 1pkl s ILE 78 Ca 0.04 -0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 57.34 1pkl s ILE 78 Cb -0.13 -1.93 -0.09 0.00 -1.58 0.00 0.00 42.46 38.73 1pkl s ILE 78 CO -0.10 0.56 1.02 0.00 -1.23 0.00 0.00 174.94 175.18 1pkl s ALA 79 N 0.07 2.91 -0.16 9.38 0.00 -0.92 -4.92 121.76 128.12 1pkl s ALA 79 Ca -0.09 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1pkl s ALA 79 Cb -0.15 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1pkl s ALA 79 CO 0.06 -0.23 -0.20 0.42 0.00 0.00 0.00 175.76 175.81 1pkl s ILE 80 N -2.07 1.97 -0.05 0.00 1.01 -1.26 -1.11 121.20 119.69 1pkl s ILE 80 Ca 0.66 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1pkl s ILE 80 Cb -0.14 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1pkl s ILE 80 CO 0.19 0.53 -0.18 0.00 0.00 0.00 0.00 174.94 175.49 1pkl s ALA 81 N 1.13 2.50 -0.38 9.38 0.00 -0.50 -1.21 121.76 132.68 1pkl s ALA 81 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1pkl s ALA 81 Cb -0.14 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.17 1pkl s ALA 81 CO -0.08 0.51 0.20 -1.17 0.00 0.00 0.00 175.76 175.22 1pkl s LEU 82 N -0.55 4.81 -0.41 0.00 0.20 -0.73 -0.61 118.68 121.39 1pkl s LEU 82 Ca 0.08 -1.31 -0.23 0.00 0.69 0.00 0.00 54.13 53.36 1pkl s LEU 82 Cb -0.11 -1.95 0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1pkl s LEU 82 CO 0.01 -0.44 0.75 -0.62 -0.29 0.00 0.00 176.35 175.76 1pkl s ASP 83 N 1.77 6.45 0.60 3.68 -1.08 0.67 -1.54 116.67 127.22 1pkl s ASP 83 Ca 0.01 0.04 -0.19 0.00 -0.52 0.00 0.00 52.55 51.89 1pkl s ASP 83 Cb -0.21 -2.37 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 1pkl s ASP 83 CO 0.03 -0.81 1.24 -0.89 0.52 0.00 0.00 175.17 175.26 1pkl s THR 84 N 3.12 2.44 0.09 1.71 2.01 -0.65 -0.99 115.64 123.37 1pkl s THR 84 Ca 0.29 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1pkl s THR 84 Cb -0.13 -3.12 -0.23 0.00 0.01 0.00 0.00 72.50 69.03 1pkl s THR 84 CO 0.20 -0.05 1.20 0.50 -0.69 0.00 0.00 174.62 175.78 1pkl h LYS 85 N 0.90 0.56 -0.94 4.92 3.64 -1.90 -3.39 116.57 120.35 1pkl h LYS 85 Ca -0.51 -0.66 0.11 0.00 -1.27 0.00 0.00 60.65 58.32 1pkl h LYS 85 Cb 1.31 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1pkl h LYS 85 CO 0.55 1.26 -0.23 0.41 -2.27 0.00 0.00 179.45 179.17 1pkl n GLY 86 N 1.14 -1.96 3.71 5.01 0.00 -1.26 -4.89 105.19 106.94 1pkl n GLY 86 Ca -0.10 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1pkl n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pkl s PRO 87 N -2.09 2.12 -0.17 1.61 0.04 -1.25 -4.86 135.00 130.40 1pkl s PRO 87 Ca 0.00 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 1pkl s PRO 87 Cb 0.00 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.78 1pkl s PRO 87 CO 0.00 -1.89 0.44 -2.00 0.04 0.00 0.00 177.00 173.58 1pkl s GLU 88 N -3.71 0.49 -0.54 4.56 2.12 -1.26 -5.04 118.70 115.32 1pkl s GLU 88 Ca 0.79 0.67 -0.17 0.00 0.36 0.00 0.00 54.97 56.62 1pkl s GLU 88 Cb -0.34 0.18 0.11 0.00 0.26 0.00 0.00 34.13 34.34 1pkl s GLU 88 CO 0.45 -0.09 0.53 0.42 -0.54 0.00 0.00 175.26 176.03 1pkl s ILE 89 N 0.54 5.11 -0.04 -3.70 -1.09 -1.26 -5.04 121.20 115.72 1pkl s ILE 89 Ca -0.02 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1pkl s ILE 89 Cb -0.04 -4.33 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1pkl s ILE 89 CO -0.03 -0.86 -0.00 0.00 -1.23 0.00 0.00 174.94 172.82 1pkl s ARG 90 N 1.91 2.86 1.19 2.79 1.70 -1.26 0.62 118.95 128.75 1pkl s ARG 90 Ca 0.06 -0.53 -0.18 0.00 -0.47 0.00 0.00 55.73 54.61 1pkl s ARG 90 Cb -0.27 -2.71 0.28 0.00 -0.57 0.00 0.00 34.95 31.68 1pkl s ARG 90 CO 0.05 0.66 1.07 0.95 -1.08 0.00 0.00 175.30 176.95 1pkl s THR 91 N -1.00 1.67 0.00 4.99 -4.23 -1.21 -3.61 115.64 112.25 1pkl s THR 91 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1pkl s THR 91 Cb -0.11 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1pkl s THR 91 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1pkl n GLY 92 N -0.50 -0.78 3.95 3.99 0.00 -0.84 -3.78 105.19 107.24 1pkl n GLY 92 Ca 0.10 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.54 2.80 0.20 1.61 -0.21 -0.11 -2.61 119.66 118.79 1pkl s GLN 93 Ca 0.00 -0.45 0.10 0.00 0.02 0.00 0.00 55.36 55.03 1pkl s GLN 93 Cb 0.00 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1pkl s GLN 93 CO 0.00 -0.58 -0.20 -0.06 -2.12 0.00 0.00 175.29 172.33 1pkl s PHE 94 N -2.77 2.02 -0.34 0.91 0.08 -1.26 -2.55 117.98 114.07 1pkl s PHE 94 Ca 0.53 -0.43 -0.29 0.00 0.12 0.00 0.00 56.93 56.87 1pkl s PHE 94 Cb -0.10 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.39 1pkl s PHE 94 CO 0.40 0.46 1.25 0.08 -0.10 0.00 0.00 175.22 177.31 1pkl s VAL 95 N -2.16 4.18 0.00 -0.44 1.01 0.53 -1.75 120.40 121.78 1pkl s VAL 95 Ca 0.21 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1pkl s VAL 95 Cb -0.05 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pkl s VAL 95 CO 0.09 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1pkl n GLY 96 N 4.41 0.74 2.29 4.51 0.00 -1.26 -4.14 105.19 111.74 1pkl n GLY 96 Ca 0.14 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.45 -0.02 3.37 -0.02 0.00 -0.71 -4.91 105.19 100.45 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 -2.03 -0.37 -0.29 1.61 2.15 -1.26 -3.92 116.67 112.55 1pkl s ASP 98 Ca 0.00 -0.20 0.05 0.00 0.43 0.00 0.00 52.55 52.83 1pkl s ASP 98 Cb 0.00 0.53 0.20 0.00 -0.30 0.00 0.00 42.92 43.35 1pkl s ASP 98 CO 0.00 -0.91 0.58 0.00 -0.17 0.00 0.00 175.17 174.67 1pkl s ALA 99 N -3.79 -2.31 -0.68 3.66 0.00 -0.83 -4.42 121.76 113.38 1pkl s ALA 99 Ca 0.03 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 1pkl s ALA 99 Cb 0.00 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1pkl s ALA 99 CO -0.12 -1.77 1.44 0.08 0.00 0.00 0.00 175.76 175.39 1pkl s VAL 100 N 2.81 3.64 0.19 0.00 1.01 -1.26 -2.62 120.40 124.18 1pkl s VAL 100 Ca 0.11 0.39 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 1pkl s VAL 100 Cb -0.11 -4.61 -0.08 0.00 0.00 0.00 0.00 36.38 31.58 1pkl s VAL 100 CO -0.26 -1.53 0.81 -0.04 0.00 0.00 0.00 175.10 174.08 1pkl s MET 101 N 6.04 4.59 0.02 2.72 -1.94 -0.85 -4.93 119.30 124.95 1pkl s MET 101 Ca 0.45 1.20 0.04 0.00 -1.71 0.00 0.00 55.69 55.67 1pkl s MET 101 Cb -0.09 -3.20 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 1pkl s MET 101 CO 0.18 0.53 -0.11 -1.21 -0.01 0.00 0.00 175.02 174.40 1pkl s GLU 102 N -1.29 0.78 -0.30 2.03 2.02 -1.26 -1.71 118.70 118.97 1pkl s GLU 102 Ca 0.38 -0.58 -0.33 0.00 0.02 0.00 0.00 54.97 54.46 1pkl s GLU 102 Cb -0.23 -0.74 -0.09 0.00 0.10 0.00 0.00 34.13 33.17 1pkl s GLU 102 CO 0.27 0.19 2.19 -2.13 0.02 0.00 0.00 175.26 175.79 1pkl n ARG 103 N 2.22 1.39 0.00 1.61 0.63 -1.26 -2.83 116.66 118.42 1pkl n ARG 103 Ca -0.17 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1pkl n ARG 103 Cb 0.56 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.75 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 6.24 2.92 3.82 5.14 0.00 0.26 -4.97 105.19 118.60 1pkl n GLY 104 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.72 2.91 0.38 4.61 0.00 -1.13 -4.65 121.76 121.16 1pkl s ALA 105 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1pkl s ALA 105 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1pkl s ALA 105 CO 0.00 -0.51 0.60 0.99 0.00 0.00 0.00 175.76 176.84 1pkl s THR 106 N -2.54 5.06 0.26 0.00 2.01 -1.26 -0.00 115.64 119.17 1pkl s THR 106 Ca 0.61 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.11 1pkl s THR 106 Cb -0.13 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1pkl s THR 106 CO 0.34 -0.62 0.61 0.00 -0.69 0.00 0.00 174.62 174.26 1pkl s TYR 108 N -3.95 1.13 -0.49 0.00 2.02 0.12 -0.77 117.35 115.41 1pkl s TYR 108 Ca 0.15 -0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1pkl s TYR 108 Cb -0.04 -1.00 0.06 0.00 -0.40 0.00 0.00 41.96 40.58 1pkl s TYR 108 CO 0.07 -0.38 0.54 0.08 -1.57 0.00 0.00 175.55 174.29 1pkl s VAL 109 N 1.53 5.00 0.03 0.71 1.01 0.59 -2.63 120.40 126.65 1pkl s VAL 109 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1pkl s VAL 109 Cb -0.13 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1pkl s VAL 109 CO -0.05 -0.72 0.23 0.28 0.00 0.00 0.00 175.10 174.84 1pkl s THR 110 N 2.28 5.36 -0.32 3.92 -1.32 -1.00 -0.34 115.64 124.22 1pkl s THR 110 Ca 0.11 -0.14 0.11 0.00 -1.21 0.00 0.00 61.69 60.56 1pkl s THR 110 Cb -0.21 -3.58 0.73 0.00 -1.51 0.00 0.00 72.50 67.93 1pkl s THR 110 CO 0.10 0.24 1.68 0.41 -2.21 0.00 0.00 174.62 174.84 1pkl n THR 111 N 0.68 2.61 -3.28 5.08 -1.04 0.56 -3.59 114.28 115.30 1pkl n THR 111 Ca -0.08 -1.36 -0.40 0.00 -2.04 0.00 0.00 64.05 60.17 1pkl n THR 111 Cb 0.52 -0.33 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 1pkl n THR 111 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pkl s ASP 112 N -0.77 6.32 0.64 8.00 2.15 -1.26 -4.97 116.67 126.79 1pkl s ASP 112 Ca 0.50 0.18 0.37 0.00 0.43 0.00 0.00 52.55 54.03 1pkl s ASP 112 Cb 0.39 -2.25 2.09 0.00 -0.30 0.00 0.00 42.92 42.85 1pkl s ASP 112 CO 0.14 -0.35 2.25 -0.65 -0.17 0.00 0.00 175.17 176.39 1pkl h PRO 113 N 8.28 0.00 0.00 4.34 0.11 -1.98 -2.71 132.00 140.04 1pkl h PRO 113 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1pkl h PRO 113 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pkl h PRO 113 CO 0.72 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.35 1pkl h ALA 114 N 1.87 1.37 -0.38 -0.75 0.00 -2.00 -2.81 119.26 116.56 1pkl h ALA 114 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pkl h ALA 114 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pkl h ALA 114 CO -0.00 0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.64 1pkl n PHE 115 N -3.81 1.01 0.40 0.00 3.01 -1.02 -4.34 117.46 112.70 1pkl n PHE 115 Ca -0.02 -0.38 0.05 0.00 1.01 0.00 0.00 57.45 58.11 1pkl n PHE 115 Cb 0.26 -0.22 0.24 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 n ALA 116 N 0.54 1.52 0.00 4.37 0.00 -1.06 -3.41 120.51 122.47 1pkl n ALA 116 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pkl n ALA 116 Cb 0.65 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1pkl n ALA 116 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pkl n ASP 117 N -1.48 0.40 -1.07 0.00 5.68 -1.26 -0.94 116.55 117.88 1pkl n ASP 117 Ca 0.03 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.30 1pkl n ASP 117 Cb 0.12 0.07 0.09 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.27 1.76 -2.10 0.11 5.02 -1.22 -4.12 118.16 117.35 1pkl n LYS 118 Ca 0.00 -0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 55.03 1pkl n LYS 118 Cb 0.01 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.04 2.56 0.20 0.72 0.00 -1.06 -4.83 107.32 104.96 1pkl s GLY 119 Ca 0.15 1.25 -0.02 0.00 0.00 0.00 0.00 44.72 46.10 1pkl s GLY 119 CO 0.04 2.11 0.17 -0.51 0.00 0.00 0.00 173.10 174.91 1pkl s THR 120 N -0.33 0.01 0.25 0.90 -4.23 -0.67 -0.34 115.64 111.22 1pkl s THR 120 Ca 0.55 -1.92 0.35 0.00 -1.18 0.00 0.00 61.69 59.49 1pkl s THR 120 Cb -0.40 -2.44 0.37 0.00 1.34 0.00 0.00 72.50 71.37 1pkl s THR 120 CO 0.45 -0.02 2.07 0.07 -0.54 0.00 0.00 174.62 176.65 1pkl h LYS 121 N 2.59 0.00 0.06 3.99 2.10 -1.91 -2.76 116.57 120.64 1pkl h LYS 121 Ca -0.35 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.98 1pkl h LYS 121 Cb 1.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1pkl h LYS 121 CO 0.51 0.00 -1.79 -0.44 -2.00 0.00 0.00 179.45 175.73 1pkl h ASP 122 N 0.00 0.19 -2.72 7.07 3.32 -1.94 -3.44 116.42 118.90 1pkl h ASP 122 Ca 0.00 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 1pkl h ASP 122 Cb 0.13 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 39.37 1pkl h ASP 122 CO 0.00 1.36 -0.26 -0.75 -1.72 0.00 0.00 179.24 177.87 1pkl s LYS 123 N -2.59 0.44 0.22 3.56 2.20 -1.04 0.13 119.74 122.66 1pkl s LYS 123 Ca -0.11 1.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.53 1pkl s LYS 123 Cb 0.07 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1pkl s LYS 123 CO 0.81 -0.20 0.19 -0.59 -0.36 0.00 0.00 175.35 175.20 1pkl s PHE 124 N 2.15 1.10 0.33 4.03 -0.71 -1.08 -1.68 117.98 122.13 1pkl s PHE 124 Ca -0.06 -1.31 -0.01 0.00 -1.04 0.00 0.00 56.93 54.50 1pkl s PHE 124 Cb -0.10 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1pkl s PHE 124 CO -0.15 -0.71 0.56 -0.47 -1.34 0.00 0.00 175.22 173.11 1pkl s TYR 125 N -4.07 3.50 -0.20 3.49 5.04 -1.24 -2.39 117.35 121.48 1pkl s TYR 125 Ca 0.37 0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1pkl s TYR 125 Cb 0.06 -1.98 0.10 0.00 0.35 0.00 0.00 41.96 40.49 1pkl s TYR 125 CO 0.13 0.12 0.28 0.42 -1.34 0.00 0.00 175.55 175.16 1pkl s ILE 126 N -2.25 -0.43 -1.86 3.14 1.01 -1.24 -1.98 121.20 117.60 1pkl s ILE 126 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1pkl s ILE 126 Cb -0.10 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1pkl s ILE 126 CO 0.35 -0.12 0.35 -0.90 0.00 0.00 0.00 174.94 174.61 1pkl n ASP 127 N 5.34 0.00 -4.41 3.58 5.68 -1.24 -4.48 116.55 121.02 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 -1.91 2.93 -0.29 2.11 5.04 -1.26 -4.92 117.35 119.05 1pkl s TYR 128 Ca 0.00 -0.94 0.18 0.00 -2.44 0.00 0.00 57.07 53.88 1pkl s TYR 128 Cb 0.00 -4.16 0.99 0.00 0.35 0.00 0.00 41.96 39.14 1pkl s TYR 128 CO 0.00 -1.45 1.55 1.04 -1.34 0.00 0.00 175.55 175.35 1pkl n GLN 129 N 6.77 0.12 -1.92 4.97 6.02 -1.26 -2.44 117.38 129.64 1pkl n GLN 129 Ca -0.00 0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 57.21 1pkl n GLN 129 Cb 0.45 -1.91 0.04 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.14 7.39 0.00 1.08 3.02 -1.26 -4.75 115.26 118.60 1pkl n ASN 130 Ca -0.01 -3.83 -0.00 0.00 -0.03 0.00 0.00 54.58 50.70 1pkl n ASN 130 Cb 0.05 -1.03 -0.00 0.00 -0.61 0.00 0.00 39.78 38.18 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 2.92 -0.03 -0.56 3.41 5.85 -1.85 -3.29 115.31 121.77 1pkl h LEU 131 Ca 0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1pkl h LEU 131 Cb 0.11 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1pkl h LEU 131 CO 1.42 0.07 0.24 -1.20 -0.34 0.00 0.00 178.44 178.63 1pkl n SER 132 N -2.58 0.22 0.00 1.25 7.64 -1.26 -2.63 113.62 116.26 1pkl n SER 132 Ca -0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1pkl n SER 132 Cb 0.01 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.77 0.00 0.28 1.43 2.85 -1.26 -4.47 118.16 115.22 1pkl n LYS 133 Ca -0.01 0.11 0.14 0.00 -1.05 0.00 0.00 58.31 57.51 1pkl n LYS 133 Cb 0.26 -0.47 0.76 0.00 -0.65 0.00 0.00 35.03 34.92 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 0.00 -3.71 0.58 2.07 -1.62 -3.37 116.25 110.20 1pkl h VAL 134 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1pkl h VAL 134 Cb 0.00 0.62 -0.18 0.00 -1.52 0.00 0.00 31.29 30.21 1pkl h VAL 134 CO 0.00 0.00 -0.41 -0.69 0.02 0.00 0.00 177.57 176.49 1pkl s VAL 135 N -3.88 5.24 0.57 2.57 1.01 -1.08 -4.77 120.40 120.07 1pkl s VAL 135 Ca -0.03 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1pkl s VAL 135 Cb 0.08 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1pkl s VAL 135 CO 0.25 -0.02 0.61 0.54 0.00 0.00 0.00 175.10 176.48 1pkl n ARG 136 N 5.20 0.63 -2.97 2.72 1.74 -1.26 -4.78 116.66 117.95 1pkl n ARG 136 Ca -0.11 -3.33 -0.41 0.00 -0.77 0.00 0.00 57.85 53.22 1pkl n ARG 136 Cb 0.50 0.08 -0.05 0.00 -1.02 0.00 0.00 32.46 31.96 1pkl n ARG 136 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1pkl s PRO 137 N -4.47 4.16 0.00 5.56 0.04 -1.26 -3.73 135.00 135.30 1pkl s PRO 137 Ca 0.46 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1pkl s PRO 137 Cb -0.04 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1pkl s PRO 137 CO 0.29 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1pkl n GLY 138 N 3.88 2.23 3.68 0.56 0.00 -0.79 -4.94 105.19 109.82 1pkl n GLY 138 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.92 2.65 0.13 1.61 0.02 -1.24 -4.80 114.94 111.39 1pkl s ASN 139 Ca 0.00 1.17 0.11 0.00 -1.02 0.00 0.00 52.86 53.12 1pkl s ASN 139 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 41.25 39.40 1pkl s ASN 139 CO 0.00 -3.11 -0.26 -0.31 0.02 0.00 0.00 177.10 173.44 1pkl s TYR 140 N -2.98 2.34 -0.20 2.20 2.02 -1.26 -2.28 117.35 117.18 1pkl s TYR 140 Ca 0.65 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1pkl s TYR 140 Cb -0.18 -1.26 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 1pkl s TYR 140 CO 0.57 0.35 -0.08 0.42 -1.57 0.00 0.00 175.55 175.24 1pkl s ILE 141 N -1.08 1.53 -0.14 2.71 1.01 -0.80 -4.03 121.20 120.40 1pkl s ILE 141 Ca 0.15 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 1pkl s ILE 141 Cb -0.10 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1pkl s ILE 141 CO 0.07 0.09 0.38 -0.31 0.00 0.00 0.00 174.94 175.17 1pkl s TYR 142 N 1.43 3.48 0.04 3.97 2.02 -0.30 -1.25 117.35 126.74 1pkl s TYR 142 Ca -0.02 0.73 0.06 0.00 -0.37 0.00 0.00 57.07 57.46 1pkl s TYR 142 Cb -0.17 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.92 1pkl s TYR 142 CO -0.08 0.19 -0.17 0.42 -1.57 0.00 0.00 175.55 174.35 1pkl s ILE 143 N 0.58 1.36 -0.53 2.71 1.01 0.13 0.43 121.20 126.89 1pkl s ILE 143 Ca 0.21 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1pkl s ILE 143 Cb -0.14 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1pkl s ILE 143 CO 0.07 0.10 0.62 -0.67 0.00 0.00 0.00 174.94 175.05 1pkl n ASP 144 N 1.89 -7.72 -2.14 3.58 2.03 0.37 -1.51 116.55 113.05 1pkl n ASP 144 Ca -0.18 0.31 -0.18 0.00 0.52 0.00 0.00 54.79 55.26 1pkl n ASP 144 Cb 0.54 -5.24 -0.03 0.00 -0.72 0.00 0.00 41.12 35.67 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 -0.84 -5.05 0.00 1.67 2.03 -1.25 -1.64 116.55 111.48 1pkl n ASP 145 Ca 0.07 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1pkl n ASP 145 Cb 0.47 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 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 -0.75 0.51 0.09 0.27 0.00 -1.23 -4.92 105.19 99.14 1pkl n GLY 146 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 1.45 -3.36 -0.61 2.04 -1.23 -3.44 117.51 112.36 1pkl h ILE 147 Ca 0.00 -1.50 -0.57 0.00 1.00 0.00 0.00 64.86 63.79 1pkl h ILE 147 Cb 0.14 2.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 1pkl h ILE 147 CO 0.00 0.41 0.11 -0.22 0.00 0.00 0.00 178.15 178.45 1pkl s LEU 148 N -8.92 4.26 -0.25 1.44 2.96 -0.57 -4.96 118.68 112.63 1pkl s LEU 148 Ca -0.16 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 1pkl s LEU 148 Cb 0.02 -3.03 0.06 0.00 0.50 0.00 0.00 46.19 43.73 1pkl s LEU 148 CO 0.71 -0.17 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.83 1pkl s ILE 149 N 1.15 2.14 0.14 6.68 1.01 -1.26 -0.70 121.20 130.37 1pkl s ILE 149 Ca 0.35 -1.58 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1pkl s ILE 149 Cb -0.17 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1pkl s ILE 149 CO 0.15 0.00 0.30 -0.76 0.00 0.00 0.00 174.94 174.64 1pkl s LEU 150 N 1.12 4.31 -0.34 2.97 1.43 -0.38 -1.82 118.68 125.97 1pkl s LEU 150 Ca -0.08 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1pkl s LEU 150 Cb -0.20 -3.01 0.10 0.00 0.03 0.00 0.00 46.19 43.12 1pkl s LEU 150 CO -0.06 0.05 0.10 -1.58 0.23 0.00 0.00 176.35 175.10 1pkl s GLN 151 N -3.07 1.07 0.44 1.70 0.74 -0.10 -1.90 119.66 118.53 1pkl s GLN 151 Ca 0.36 -1.48 -0.23 0.00 0.05 0.00 0.00 55.36 54.06 1pkl s GLN 151 Cb -0.12 -2.48 -0.11 0.00 1.10 0.00 0.00 33.01 31.41 1pkl s GLN 151 CO 0.28 -0.99 0.88 0.28 -0.55 0.00 0.00 175.29 175.19 1pkl n VAL 152 N 4.47 2.38 0.00 1.34 0.31 -0.97 -2.33 118.33 123.53 1pkl n VAL 152 Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1pkl n VAL 152 Cb 0.41 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1pkl n VAL 152 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkl n GLN 153 N 0.16 0.72 0.00 5.55 6.02 -0.05 -1.89 117.38 127.89 1pkl n GLN 153 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1pkl n GLN 153 Cb 0.40 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.60 1pkl n GLN 153 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1pkl n SER 154 N -0.05 0.00 -4.28 1.08 3.41 -1.22 -4.90 113.62 107.66 1pkl n SER 154 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1pkl n SER 154 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1pkl n SER 154 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1pkl s HIS 155 N -2.00 2.95 0.21 7.33 3.76 -1.26 -0.58 115.29 125.70 1pkl s HIS 155 Ca 0.00 -1.07 -0.09 0.00 -0.15 0.00 0.00 55.06 53.75 1pkl s HIS 155 Cb 0.00 -2.08 0.16 0.00 1.11 0.00 0.00 32.58 31.77 1pkl s HIS 155 CO 0.00 -0.59 1.83 0.93 -0.85 0.00 0.00 174.74 176.05 1pkl h GLU 156 N 8.09 1.12 0.00 1.40 4.39 -0.91 -3.47 114.58 125.20 1pkl h GLU 156 Ca -0.41 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1pkl h GLU 156 Cb 1.15 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1pkl h GLU 156 CO 0.61 0.84 0.00 -0.40 -1.16 0.00 0.00 179.01 178.89 1pkl n ASP 157 N -4.40 0.00 0.00 1.42 5.75 -1.18 -4.95 116.55 113.18 1pkl n ASP 157 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.98 1pkl n ASP 157 Cb 0.10 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 40.84 1pkl n ASP 157 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1pkl n GLU 158 N 0.00 0.44 0.00 0.11 -0.00 -1.26 -3.67 120.64 116.25 1pkl n GLU 158 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 1pkl n GLU 158 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 1pkl n GLU 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1pkl n GLN 159 N -1.23 1.84 -4.32 3.44 6.02 -1.26 -4.54 117.38 117.33 1pkl n GLN 159 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.82 1pkl n GLN 159 Cb 0.17 -0.94 -0.10 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.81 3.41 -0.02 5.09 2.01 -1.24 0.21 115.64 123.30 1pkl s THR 160 Ca 0.00 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 60.93 1pkl s THR 160 Cb 0.00 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1pkl s THR 160 CO 0.00 0.20 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.18 1pkl s LEU 161 N -1.95 2.03 -0.25 4.42 1.43 0.54 -0.21 118.68 124.70 1pkl s LEU 161 Ca 0.20 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1pkl s LEU 161 Cb -0.11 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1pkl s LEU 161 CO 0.12 0.23 0.42 -0.70 0.23 0.00 0.00 176.35 176.65 1pkl s GLU 162 N -0.42 4.08 0.21 1.70 2.12 0.25 -0.30 118.70 126.34 1pkl s GLU 162 Ca 0.07 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.65 1pkl s GLU 162 Cb -0.07 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1pkl s GLU 162 CO -0.01 -0.23 -0.15 0.00 -0.54 0.00 0.00 175.26 174.33 1pkl s THR 164 N -2.87 3.50 -0.53 0.00 2.01 -0.98 -1.19 115.64 115.57 1pkl s THR 164 Ca 0.23 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 1pkl s THR 164 Cb -0.01 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1pkl s THR 164 CO 0.08 0.54 1.08 -0.69 -0.69 0.00 0.00 174.62 174.94 1pkl s VAL 165 N -0.11 4.22 -0.70 3.82 1.01 1.00 -0.92 120.40 128.71 1pkl s VAL 165 Ca 0.00 0.84 0.25 0.00 0.00 0.00 0.00 61.98 63.07 1pkl s VAL 165 Cb -0.13 -4.61 0.27 0.00 0.00 0.00 0.00 36.38 31.91 1pkl s VAL 165 CO 0.03 -1.12 1.77 0.35 0.00 0.00 0.00 175.10 176.12 1pkl n THR 166 N 6.58 0.61 -3.66 3.92 -2.24 -0.75 0.88 114.28 119.63 1pkl n THR 166 Ca 0.08 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1pkl n THR 166 Cb 0.49 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 1pkl n THR 166 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pkl s ASN 167 N -4.30 -0.53 0.12 3.42 4.22 -1.26 -4.70 114.94 111.91 1pkl s ASN 167 Ca 0.09 0.85 -0.31 0.00 -2.14 0.00 0.00 52.86 51.36 1pkl s ASN 167 Cb 0.12 0.86 -0.07 0.00 1.28 0.00 0.00 41.25 43.44 1pkl s ASN 167 CO 0.53 -0.33 1.30 -0.44 -2.04 0.00 0.00 177.10 176.12 1pkl s SER 168 N -0.33 6.93 -0.29 3.54 0.01 -1.26 -4.37 113.70 117.94 1pkl s SER 168 Ca -0.05 2.23 -0.22 0.00 1.31 0.00 0.00 55.95 59.23 1pkl s SER 168 Cb -0.03 -2.59 0.14 0.00 0.21 0.00 0.00 66.02 63.75 1pkl s SER 168 CO 0.03 -0.56 1.07 -2.28 0.41 0.00 0.00 173.24 171.92 1pkl s HIS 169 N 0.86 -0.44 -0.16 2.43 5.04 -0.70 -4.95 115.29 117.36 1pkl s HIS 169 Ca 0.61 0.99 -0.14 0.00 -1.54 0.00 0.00 55.06 54.98 1pkl s HIS 169 Cb -0.34 0.36 -0.05 0.00 0.04 0.00 0.00 32.58 32.59 1pkl s HIS 169 CO 0.32 -0.22 0.32 0.99 -2.34 0.00 0.00 174.74 173.81 1pkl s THR 170 N 0.63 5.29 -0.04 0.89 2.01 -1.26 -2.00 115.64 121.15 1pkl s THR 170 Ca -0.01 0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1pkl s THR 170 Cb -0.04 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1pkl s THR 170 CO -0.11 0.37 -0.24 0.27 -0.69 0.00 0.00 174.62 174.23 1pkl s ILE 171 N 0.53 1.92 0.00 1.82 -4.36 -1.08 -4.99 121.20 115.05 1pkl s ILE 171 Ca 0.18 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.56 1pkl s ILE 171 Cb -0.13 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1pkl s ILE 171 CO 0.05 0.54 0.00 -1.54 0.24 0.00 0.00 174.94 174.23 1pkl n SER 172 N 2.82 0.00 -4.68 4.36 3.41 -1.26 -1.97 113.62 116.29 1pkl n SER 172 Ca -0.17 -0.58 -0.36 0.00 -0.26 0.00 0.00 58.87 57.50 1pkl n SER 172 Cb 0.52 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.73 1.38 -0.74 4.04 8.00 -1.25 -4.38 116.55 121.88 1pkl n ASP 173 Ca 0.00 0.74 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1pkl n ASP 173 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 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 -2.10 0.00 -4.78 -1.24 1.74 -1.07 -4.95 116.66 104.25 1pkl n ARG 174 Ca 0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 1pkl n ARG 174 Cb 0.49 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.00 2.70 0.34 5.56 0.52 -1.26 -4.72 118.95 122.08 1pkl s ARG 175 Ca 0.00 -0.74 -0.24 0.00 -0.52 0.00 0.00 55.73 54.22 1pkl s ARG 175 Cb 0.00 -2.15 -0.15 0.00 0.52 0.00 0.00 34.95 33.17 1pkl s ARG 175 CO 0.00 0.04 0.49 0.41 0.02 0.00 0.00 175.30 176.26 1pkl n GLY 176 N 3.90 -1.70 3.33 -3.53 0.00 -1.26 -3.31 105.19 102.63 1pkl n GLY 176 Ca -0.20 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1pkl n GLY 176 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 177 N -1.33 2.01 0.02 1.61 -7.23 0.20 -0.47 120.40 115.21 1pkl s VAL 177 Ca 0.62 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 59.42 1pkl s VAL 177 Cb -0.72 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1pkl s VAL 177 CO 0.59 0.23 -0.21 0.20 -0.31 0.00 0.00 175.10 175.59 1pkl s ASN 178 N -1.47 2.52 -0.54 4.85 0.01 0.17 -4.50 114.94 115.99 1pkl s ASN 178 Ca 0.11 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.83 1pkl s ASN 178 Cb -0.10 -0.24 0.13 0.00 0.41 0.00 0.00 41.25 41.45 1pkl s ASN 178 CO 0.03 0.21 0.29 -0.76 -1.51 0.00 0.00 177.10 175.36 1pkl s LEU 179 N -0.87 4.41 0.18 0.60 1.02 -1.26 -1.14 118.68 121.61 1pkl s LEU 179 Ca 0.08 -3.05 -0.33 0.00 0.02 0.00 0.00 54.13 50.85 1pkl s LEU 179 Cb -0.09 -1.66 -0.13 0.00 0.02 0.00 0.00 46.19 44.33 1pkl s LEU 179 CO 0.01 -0.23 1.61 -2.65 0.02 0.00 0.00 176.35 175.10 1pkl n PRO 180 N 3.07 2.31 -0.25 1.29 -0.02 -1.26 -2.17 135.00 137.98 1pkl n PRO 180 Ca 0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1pkl n PRO 180 Cb 0.33 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.49 1.09 3.76 -1.23 0.00 -1.26 -4.72 105.19 106.31 1pkl n GLY 181 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.02 6.26 0.74 0.00 1.11 -1.26 -4.92 116.67 118.58 1pkl s ASP 183 Ca 0.27 -0.89 -0.12 0.00 0.18 0.00 0.00 52.55 52.00 1pkl s ASP 183 Cb -0.17 -2.51 0.04 0.00 1.07 0.00 0.00 42.92 41.35 1pkl s ASP 183 CO 0.13 -1.62 1.11 -0.69 1.18 0.00 0.00 175.17 175.28 1pkl s VAL 184 N 4.95 3.18 -0.33 -1.27 1.01 -1.26 -4.96 120.40 121.71 1pkl s VAL 184 Ca 0.33 0.38 0.14 0.00 0.00 0.00 0.00 61.98 62.84 1pkl s VAL 184 Cb -0.09 -3.33 0.46 0.00 0.00 0.00 0.00 36.38 33.43 1pkl s VAL 184 CO 0.07 -0.50 1.06 0.47 0.00 0.00 0.00 175.10 176.21 1pkl n ASP 185 N -3.14 2.86 -4.83 3.32 8.00 -1.26 -5.10 116.55 116.40 1pkl n ASP 185 Ca 0.07 -2.98 -0.33 0.00 0.71 0.00 0.00 54.79 52.27 1pkl n ASP 185 Cb 0.58 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1pkl n ASP 185 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pkl s LEU 186 N -3.46 3.76 0.58 0.64 1.43 -1.26 -5.03 118.68 115.34 1pkl s LEU 186 Ca 0.36 1.68 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 1pkl s LEU 186 Cb 0.41 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1pkl s LEU 186 CO -0.04 -0.58 1.15 -2.16 0.23 0.00 0.00 176.35 174.96 1pkl s PRO 187 N -3.64 3.12 0.00 1.29 0.04 -1.26 -4.98 135.00 129.56 1pkl s PRO 187 Ca 0.61 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1pkl s PRO 187 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1pkl s PRO 187 CO 0.24 -1.04 0.84 0.00 0.04 0.00 0.00 177.00 177.07 1pkl n ALA 188 N -1.61 -0.38 -2.65 8.56 0.00 -1.26 -4.44 120.51 118.72 1pkl n ALA 188 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1pkl n ALA 188 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1pkl n ALA 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pkl s VAL 189 N -2.51 5.08 0.77 0.00 0.11 -1.26 -3.87 120.40 118.71 1pkl s VAL 189 Ca 0.00 1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.98 1pkl s VAL 189 Cb 0.00 -3.86 0.17 0.00 -1.53 0.00 0.00 36.38 31.15 1pkl s VAL 189 CO 0.00 0.14 1.05 -1.54 -3.33 0.00 0.00 175.10 171.43 1pkl n SER 190 N 4.99 0.72 -0.07 3.54 3.41 -1.26 -4.87 113.62 120.07 1pkl n SER 190 Ca -0.04 -1.77 -0.07 0.00 -0.26 0.00 0.00 58.87 56.73 1pkl n SER 190 Cb 0.50 -0.75 0.10 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.15 0.90 -0.74 7.33 0.00 -1.98 -1.53 119.26 122.09 1pkl h ALA 191 Ca -0.34 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 1pkl h ALA 191 Cb 1.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1pkl h ALA 191 CO 0.30 0.62 0.22 -0.22 0.00 0.00 0.00 179.25 180.17 1pkl h LYS 192 N 0.63 1.16 -0.34 0.00 3.64 -1.98 -2.56 116.57 117.13 1pkl h LYS 192 Ca 0.09 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1pkl h LYS 192 Cb 0.73 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1pkl h LYS 192 CO 0.06 0.99 0.02 -0.44 -2.27 0.00 0.00 179.45 177.81 1pkl h ASP 193 N 1.11 0.57 -0.74 4.20 3.32 -1.88 -1.57 116.42 121.43 1pkl h ASP 193 Ca 0.24 -0.29 0.09 0.00 0.02 0.00 0.00 57.03 57.09 1pkl h ASP 193 Cb 0.33 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 1pkl h ASP 193 CO -0.01 0.72 0.39 0.03 -1.72 0.00 0.00 179.24 178.66 1pkl h ARG 194 N 0.40 0.65 -0.29 3.56 3.08 -1.04 0.22 114.38 120.96 1pkl h ARG 194 Ca 0.10 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1pkl h ARG 194 Cb 0.42 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1pkl h ARG 194 CO 0.01 0.43 -0.05 0.28 -1.07 0.00 0.00 179.97 179.58 1pkl h VAL 195 N 0.67 1.27 -0.54 2.04 2.07 -1.29 -2.55 116.25 117.92 1pkl h VAL 195 Ca 0.36 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1pkl h VAL 195 Cb 0.35 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1pkl h VAL 195 CO -0.25 0.33 0.06 0.44 0.02 0.00 0.00 177.57 178.17 1pkl h ASP 196 N 0.31 0.83 -0.26 0.57 3.32 -0.87 -2.64 116.42 117.69 1pkl h ASP 196 Ca 0.08 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 1pkl h ASP 196 Cb 0.51 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1pkl h ASP 196 CO 0.02 0.86 -0.25 -0.07 -1.72 0.00 0.00 179.24 178.08 1pkl h LEU 197 N 0.82 0.76 -0.93 1.55 3.38 -0.49 -0.10 115.31 120.31 1pkl h LEU 197 Ca 0.17 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1pkl h LEU 197 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pkl h LEU 197 CO 0.01 0.98 -0.30 -0.61 0.09 0.00 0.00 178.44 178.61 1pkl h GLN 198 N 0.64 0.41 -0.34 1.13 4.15 -1.33 -1.65 115.11 118.14 1pkl h GLN 198 Ca 0.08 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 1pkl h GLN 198 Cb 0.76 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1pkl h GLN 198 CO 0.06 0.68 -0.01 0.35 -1.93 0.00 0.00 178.83 177.98 1pkl h PHE 199 N 0.36 0.65 -0.90 3.99 3.57 -1.12 -1.52 116.94 121.98 1pkl h PHE 199 Ca 0.05 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1pkl h PHE 199 Cb 0.72 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1pkl h PHE 199 CO 0.02 0.72 0.58 0.78 -2.23 0.00 0.00 178.31 178.18 1pkl h GLY 200 N 0.40 1.29 0.93 2.40 0.00 -0.72 -0.23 103.07 107.15 1pkl h GLY 200 Ca 0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1pkl h GLY 200 CO 0.02 0.40 0.04 -2.08 0.00 0.00 0.00 176.54 174.91 1pkl h VAL 201 N 1.15 1.25 -0.42 4.60 2.07 -1.10 -0.95 116.25 122.85 1pkl h VAL 201 Ca 0.35 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1pkl h VAL 201 Cb -0.03 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1pkl h VAL 201 CO -0.11 0.31 0.10 -0.33 0.02 0.00 0.00 177.57 177.56 1pkl h GLU 202 N 0.48 0.62 -0.01 1.57 5.08 -0.73 -2.13 114.58 119.46 1pkl h GLU 202 Ca 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkl h GLU 202 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pkl h GLU 202 CO 0.01 0.57 -0.18 1.04 -1.00 0.00 0.00 179.01 179.45 1pkl n GLN 203 N -4.32 0.76 -2.98 2.33 1.13 -0.15 -4.98 117.38 109.18 1pkl n GLN 203 Ca 0.03 -0.36 -0.12 0.00 -1.94 0.00 0.00 57.00 54.61 1pkl n GLN 203 Cb 0.20 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.10 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 1.31 0.12 3.74 1.08 0.00 -0.43 -5.02 105.19 106.00 1pkl n GLY 204 Ca 0.13 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.17 2.94 -0.08 1.61 -7.23 -0.79 -4.97 120.40 108.71 1pkl s VAL 205 Ca 0.22 0.34 0.15 0.00 -1.81 0.00 0.00 61.98 60.87 1pkl s VAL 205 Cb -0.10 -2.73 -0.19 0.00 0.56 0.00 0.00 36.38 33.93 1pkl s VAL 205 CO 0.38 -0.37 0.73 0.47 -0.31 0.00 0.00 175.10 176.01 1pkl n ASP 206 N -3.45 0.86 -3.59 4.85 8.00 -0.35 -4.85 116.55 118.02 1pkl n ASP 206 Ca 0.10 0.40 -0.11 0.00 0.71 0.00 0.00 54.79 55.89 1pkl n ASP 206 Cb 0.52 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1pkl n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pkl s MET 207 N -2.75 1.25 -0.08 -1.24 0.23 -1.14 -2.02 119.30 113.56 1pkl s MET 207 Ca -0.04 -0.67 0.05 0.00 -1.03 0.00 0.00 55.69 53.99 1pkl s MET 207 Cb 0.08 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 1pkl s MET 207 CO 0.82 -0.53 -0.22 0.42 -2.03 0.00 0.00 175.02 173.48 1pkl s ILE 208 N -3.81 2.32 -0.77 3.16 -1.09 0.83 -1.78 121.20 120.06 1pkl s ILE 208 Ca 0.04 -0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 57.39 1pkl s ILE 208 Cb -0.00 -1.88 0.20 0.00 -1.58 0.00 0.00 42.46 39.20 1pkl s ILE 208 CO -0.09 0.56 0.68 -0.36 -1.23 0.00 0.00 174.94 174.50 1pkl s PHE 209 N -0.05 3.66 -0.23 3.97 0.08 -0.59 -0.29 117.98 124.53 1pkl s PHE 209 Ca -0.06 -2.15 -0.29 0.00 0.12 0.00 0.00 56.93 54.55 1pkl s PHE 209 Cb -0.15 -3.67 -0.02 0.00 -0.57 0.00 0.00 43.02 38.62 1pkl s PHE 209 CO 0.05 -0.95 1.50 0.00 -0.10 0.00 0.00 175.22 175.71 1pkl s ALA 210 N 0.15 3.34 0.39 5.36 0.00 0.06 -1.63 121.76 129.43 1pkl s ALA 210 Ca 0.17 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.26 1pkl s ALA 210 Cb -0.13 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.09 1pkl s ALA 210 CO -0.07 -1.82 1.07 -1.12 0.00 0.00 0.00 175.76 173.82 1pkl s SER 211 N 3.59 6.77 -1.46 0.00 0.01 -1.26 -1.01 113.70 120.35 1pkl s SER 211 Ca 0.66 2.11 -0.04 0.00 1.31 0.00 0.00 55.95 59.99 1pkl s SER 211 Cb -0.22 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.44 1pkl s SER 211 CO 0.26 -0.48 0.54 0.49 0.41 0.00 0.00 173.24 174.46 1pkl n PHE 212 N 0.09 -1.73 -2.54 2.43 3.72 -1.24 -4.75 117.46 113.44 1pkl n PHE 212 Ca 0.04 0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 57.80 1pkl n PHE 212 Cb 0.49 -3.68 -0.03 0.00 -0.94 0.00 0.00 39.48 35.32 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 -3.78 4.27 0.00 4.37 -1.09 -1.12 -4.89 121.20 118.96 1pkl s ILE 213 Ca 0.17 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 1pkl s ILE 213 Cb -0.09 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1pkl s ILE 213 CO 0.89 0.16 0.18 -2.11 -1.23 0.00 0.00 174.94 172.83 1pkl n ARG 214 N 3.60 -0.03 -3.77 2.79 1.85 -1.26 -4.20 116.66 115.65 1pkl n ARG 214 Ca 0.07 -0.18 -0.13 0.00 -1.00 0.00 0.00 57.85 56.61 1pkl n ARG 214 Cb 0.48 -0.64 -0.10 0.00 -1.05 0.00 0.00 32.46 31.14 1pkl n ARG 214 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pkl s SER 215 N -0.05 -0.28 0.61 2.89 0.15 -1.26 -4.44 113.70 111.31 1pkl s SER 215 Ca 0.00 0.47 0.32 0.00 0.70 0.00 0.00 55.95 57.44 1pkl s SER 215 Cb 0.00 0.55 1.86 0.00 -1.71 0.00 0.00 66.02 66.72 1pkl s SER 215 CO 0.00 -0.20 2.21 0.00 1.20 0.00 0.00 173.24 176.45 1pkl h ALA 216 N 5.16 1.52 0.04 5.45 0.00 -1.88 0.26 119.26 129.82 1pkl h ALA 216 Ca -0.27 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1pkl h ALA 216 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pkl h ALA 216 CO 0.33 -0.12 -1.02 0.93 0.00 0.00 0.00 179.25 179.38 1pkl h GLU 217 N 0.00 0.28 -0.44 0.00 5.08 -1.95 -3.11 114.58 114.43 1pkl h GLU 217 Ca 0.03 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1pkl h GLU 217 Cb 0.20 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1pkl h GLU 217 CO -0.00 1.09 0.18 1.96 -1.00 0.00 0.00 179.01 181.24 1pkl h GLN 218 N 0.13 0.63 -0.69 2.33 4.20 -0.88 -1.13 115.11 119.70 1pkl h GLN 218 Ca -0.08 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1pkl h GLN 218 Cb 1.69 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 1pkl h GLN 218 CO 0.16 0.52 0.26 0.28 -0.67 0.00 0.00 178.83 179.38 1pkl h VAL 219 N 0.63 1.25 -0.40 -0.54 2.07 -1.43 -1.99 116.25 115.83 1pkl h VAL 219 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1pkl h VAL 219 Cb 0.12 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1pkl h VAL 219 CO -0.02 0.32 0.24 1.23 0.02 0.00 0.00 177.57 179.36 1pkl h GLY 220 N 1.00 0.58 1.55 2.17 0.00 -1.19 -1.46 103.07 105.72 1pkl h GLY 220 Ca 0.23 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1pkl h GLY 220 CO -0.01 0.22 -0.22 -0.55 0.00 0.00 0.00 176.54 175.98 1pkl h ASP 221 N 0.55 0.53 0.13 0.19 3.32 -0.65 -2.36 116.42 118.13 1pkl h ASP 221 Ca 0.15 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1pkl h ASP 221 Cb -0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1pkl h ASP 221 CO -0.03 0.75 -0.41 0.58 -1.72 0.00 0.00 179.24 178.41 1pkl h VAL 222 N 0.47 1.31 -0.00 -1.35 2.07 -0.86 -1.88 116.25 116.01 1pkl h VAL 222 Ca 0.07 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 1pkl h VAL 222 Cb 0.65 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1pkl h VAL 222 CO 0.05 0.47 0.00 -0.09 0.02 0.00 0.00 177.57 178.02 1pkl h ARG 223 N 0.30 0.00 -0.83 1.57 9.65 -0.97 -1.99 114.38 122.11 1pkl h ARG 223 Ca 0.03 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 1pkl h ARG 223 Cb 0.85 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.37 1pkl h ARG 223 CO 0.07 0.24 0.50 0.87 2.80 0.00 0.00 179.97 184.45 1pkl h LYS 224 N -0.24 0.85 -0.14 0.20 1.57 -1.37 0.21 116.57 117.66 1pkl h LYS 224 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1pkl h LYS 224 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1pkl h LYS 224 CO 0.00 0.56 -0.07 0.00 -0.57 0.00 0.00 179.45 179.37 1pkl h ALA 225 N 1.42 1.62 0.00 3.86 0.00 -1.13 -0.63 119.26 124.40 1pkl h ALA 225 Ca 0.38 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1pkl h ALA 225 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pkl h ALA 225 CO -0.20 0.28 -0.62 -0.07 0.00 0.00 0.00 179.25 178.64 1pkl h LEU 226 N 0.20 0.00 0.00 0.00 3.38 -0.36 -3.41 115.31 115.13 1pkl h LEU 226 Ca 0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1pkl h LEU 226 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1pkl h LEU 226 CO 0.01 0.62 -0.13 0.61 0.09 0.00 0.00 178.44 179.64 1pkl n GLY 227 N 1.08 -1.83 0.19 0.83 0.00 -0.09 -3.35 105.19 102.02 1pkl n GLY 227 Ca 0.01 -1.29 0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.87 -2.79 132.00 129.07 1pkl h PRO 228 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pkl h PRO 228 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1pkl h PRO 228 CO 0.00 0.34 0.00 1.63 -0.23 0.00 0.00 178.00 179.74 1pkl n LYS 229 N -4.08 0.11 -0.66 0.86 5.02 -1.26 -3.18 118.16 114.98 1pkl n LYS 229 Ca -0.02 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.35 1pkl n LYS 229 Cb 0.38 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.10 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 1.20 5.16 0.29 0.72 0.00 -1.06 -4.75 105.19 106.75 1pkl n GLY 230 Ca 0.08 -1.34 0.19 0.00 0.00 0.00 0.00 46.02 44.95 1pkl n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pkl h ARG 231 N 1.03 0.00 -0.03 1.61 0.11 -1.56 -3.04 114.38 112.50 1pkl h ARG 231 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1pkl h ARG 231 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1pkl h ARG 231 CO 0.06 0.01 -0.03 -0.25 0.10 0.00 0.00 179.97 179.86 1pkl n ASP 232 N -3.12 2.90 -4.73 0.08 8.00 -1.26 -4.94 116.55 113.48 1pkl n ASP 232 Ca -0.01 -1.96 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 1pkl n ASP 232 Cb 0.24 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.03 4.41 0.28 0.53 1.01 -1.15 -5.01 121.20 119.24 1pkl s ILE 233 Ca 0.27 2.06 -0.23 0.00 0.00 0.00 0.00 60.65 62.75 1pkl s ILE 233 Cb 0.20 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 1pkl s ILE 233 CO 0.32 0.36 0.85 -0.04 0.00 0.00 0.00 174.94 176.43 1pkl s MET 234 N -0.28 4.45 -0.37 2.79 -1.94 -0.86 -4.92 119.30 118.18 1pkl s MET 234 Ca 0.45 1.14 -0.04 0.00 -1.71 0.00 0.00 55.69 55.53 1pkl s MET 234 Cb -0.24 -2.84 0.08 0.00 2.01 0.00 0.00 34.83 33.84 1pkl s MET 234 CO 0.30 0.33 0.14 0.42 -0.01 0.00 0.00 175.02 176.20 1pkl s ILE 235 N -1.57 3.42 -0.32 2.53 1.01 -1.26 -0.12 121.20 124.89 1pkl s ILE 235 Ca 0.47 -1.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 1pkl s ILE 235 Cb -0.18 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1pkl s ILE 235 CO 0.23 -0.42 0.36 -0.63 0.00 0.00 0.00 174.94 174.47 1pkl s ILE 236 N 1.26 5.18 -0.18 2.92 -1.09 0.60 -1.12 121.20 128.77 1pkl s ILE 236 Ca 0.02 0.21 -0.24 0.00 -2.23 0.00 0.00 60.65 58.41 1pkl s ILE 236 Cb -0.21 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1pkl s ILE 236 CO -0.01 -0.00 0.80 0.00 -1.23 0.00 0.00 174.94 174.49 1pkl s LYS 238 N 2.14 3.86 -0.47 0.00 1.02 -0.18 -0.90 119.74 125.22 1pkl s LYS 238 Ca 0.36 0.55 -0.22 0.00 0.02 0.00 0.00 55.97 56.69 1pkl s LYS 238 Cb -0.16 -3.78 0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1pkl s LYS 238 CO 0.12 -0.86 0.75 0.42 -0.92 0.00 0.00 175.35 174.85 1pkl s ILE 239 N 3.28 4.69 -0.00 2.17 -1.09 -0.43 -2.80 121.20 127.02 1pkl s ILE 239 Ca 0.36 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1pkl s ILE 239 Cb -0.13 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.43 1pkl s ILE 239 CO 0.17 -0.76 0.71 -0.62 -1.23 0.00 0.00 174.94 173.21 1pkl n GLU 240 N 6.63 0.68 -3.99 2.79 1.02 -1.26 -2.90 120.64 123.61 1pkl n GLU 240 Ca -0.00 -0.92 -0.11 0.00 -0.02 0.00 0.00 57.16 56.11 1pkl n GLU 240 Cb 0.48 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.42 0.36 0.46 1.62 2.20 -1.26 -3.29 114.94 114.61 1pkl s ASN 241 Ca 0.00 -1.21 0.13 0.00 -0.94 0.00 0.00 52.86 50.84 1pkl s ASN 241 Cb 0.00 0.69 1.04 0.00 -2.00 0.00 0.00 41.25 40.98 1pkl s ASN 241 CO 0.00 -1.35 2.04 1.12 -2.94 0.00 0.00 177.10 175.97 1pkl h HIS 242 N 2.12 0.10 -0.33 1.54 2.07 -1.96 -2.59 115.15 116.10 1pkl h HIS 242 Ca -0.28 -0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.14 1pkl h HIS 242 Cb 1.25 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 1pkl h HIS 242 CO 1.11 0.17 -0.17 1.96 -3.07 0.00 0.00 177.93 177.93 1pkl h GLN 243 N 0.10 0.69 -0.82 5.12 4.20 -1.94 -0.19 115.11 122.27 1pkl h GLN 243 Ca 0.02 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1pkl h GLN 243 Cb 0.18 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1pkl h GLN 243 CO 0.01 0.90 0.51 0.78 -0.67 0.00 0.00 178.83 180.37 1pkl h GLY 244 N 0.46 1.17 1.08 3.46 0.00 -1.64 0.43 103.07 108.03 1pkl h GLY 244 Ca 0.07 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 1pkl h GLY 244 CO 0.05 0.45 -0.41 -2.08 0.00 0.00 0.00 176.54 174.55 1pkl h VAL 245 N 1.12 1.28 0.09 4.60 2.07 -1.27 -2.12 116.25 122.03 1pkl h VAL 245 Ca 0.30 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1pkl h VAL 245 Cb -0.08 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1pkl h VAL 245 CO -0.06 0.52 -0.04 1.56 0.02 0.00 0.00 177.57 179.56 1pkl h GLN 246 N 0.62 -0.12 -0.83 1.57 4.20 -0.41 -2.98 115.11 117.17 1pkl h GLN 246 Ca 0.04 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1pkl h GLN 246 Cb 1.00 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1pkl h GLN 246 CO 0.10 0.05 0.00 0.09 -0.67 0.00 0.00 178.83 178.40 1pkl n ASN 247 N -5.07 2.94 -0.28 1.46 3.02 0.09 -4.55 115.26 112.86 1pkl n ASN 247 Ca -0.08 -2.38 0.06 0.00 -0.03 0.00 0.00 54.58 52.15 1pkl n ASN 247 Cb 0.14 -0.58 0.20 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.63 0.72 -0.22 2.41 6.09 -1.21 -1.96 117.51 124.96 1pkl h ILE 248 Ca 0.00 -0.19 0.04 0.00 -1.37 0.00 0.00 64.86 63.34 1pkl h ILE 248 Cb 1.11 0.11 -0.04 0.00 0.47 0.00 0.00 36.82 38.47 1pkl h ILE 248 CO 0.20 0.10 -0.01 0.44 -3.07 0.00 0.00 178.15 175.82 1pkl h ASP 249 N 0.56 -0.10 0.29 2.19 3.32 -1.86 0.21 116.42 121.02 1pkl h ASP 249 Ca 0.43 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.40 1pkl h ASP 249 Cb 0.61 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1pkl h ASP 249 CO -0.37 -0.02 -0.54 0.77 -1.72 0.00 0.00 179.24 177.36 1pkl h SER 250 N 0.06 0.30 -0.29 6.45 4.64 -1.85 -2.23 113.55 120.64 1pkl h SER 250 Ca 0.11 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1pkl h SER 250 Cb 0.14 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1pkl h SER 250 CO -0.19 0.78 -0.09 0.40 -0.87 0.00 0.00 176.83 176.86 1pkl h ILE 251 N 0.21 1.29 -0.82 0.95 2.04 -0.99 -2.48 117.51 117.70 1pkl h ILE 251 Ca 0.00 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1pkl h ILE 251 Cb 1.01 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1pkl h ILE 251 CO 0.08 0.37 0.46 0.40 0.00 0.00 0.00 178.15 179.46 1pkl h ILE 252 N 0.33 1.24 -0.60 -0.67 2.04 -0.93 -0.54 117.51 118.37 1pkl h ILE 252 Ca 0.07 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.44 1pkl h ILE 252 Cb 0.59 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 1pkl h ILE 252 CO 0.03 0.26 0.27 -0.08 0.00 0.00 0.00 178.15 178.64 1pkl h GLU 253 N 1.14 0.48 0.18 2.37 4.57 -1.18 -3.19 114.58 118.95 1pkl h GLU 253 Ca 0.29 -0.03 -0.33 0.00 -1.18 0.00 0.00 59.36 58.12 1pkl h GLU 253 Cb 0.00 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1pkl h GLU 253 CO -0.05 0.32 -1.57 0.93 -1.18 0.00 0.00 179.01 177.46 1pkl h GLU 254 N 0.50 0.38 -7.56 1.92 4.39 -1.21 -3.48 114.58 109.51 1pkl h GLU 254 Ca 0.29 -0.65 -0.43 0.00 0.34 0.00 0.00 59.36 58.91 1pkl h GLU 254 Cb 0.28 0.24 0.17 0.00 -0.10 0.00 0.00 28.75 29.34 1pkl h GLU 254 CO -0.24 1.28 0.26 -1.54 -1.16 0.00 0.00 179.01 177.61 1pkl s SER 255 N -7.26 2.07 0.00 1.42 1.04 -0.23 -5.00 113.70 105.74 1pkl s SER 255 Ca -0.11 0.55 0.15 0.00 0.48 0.00 0.00 55.95 57.03 1pkl s SER 255 Cb 0.06 -0.77 0.22 0.00 0.10 0.00 0.00 66.02 65.62 1pkl s SER 255 CO 0.88 -3.40 1.11 0.47 0.98 0.00 0.00 173.24 173.28 1pkl n ASP 256 N -4.27 2.61 0.00 7.02 8.00 -0.27 -4.94 116.55 124.70 1pkl n ASP 256 Ca 0.13 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.87 1pkl n ASP 256 Cb 0.59 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.88 -0.45 3.09 0.44 0.00 -1.22 -4.18 105.19 103.75 1pkl n GLY 257 Ca 0.11 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 0.62 -0.12 -0.61 -1.09 -0.59 -1.39 121.20 116.02 1pkl s ILE 258 Ca 0.00 -1.23 0.01 0.00 -2.23 0.00 0.00 60.65 57.20 1pkl s ILE 258 Cb 0.00 -0.81 0.02 0.00 -1.58 0.00 0.00 42.46 40.08 1pkl s ILE 258 CO 0.00 -0.44 -0.14 -0.32 -1.23 0.00 0.00 174.94 172.81 1pkl s MET 259 N -1.93 2.14 -0.72 2.79 -2.45 -0.08 -1.22 119.30 117.84 1pkl s MET 259 Ca -0.06 -0.52 -0.22 0.00 -1.25 0.00 0.00 55.69 53.65 1pkl s MET 259 Cb -0.08 -1.91 0.08 0.00 1.25 0.00 0.00 34.83 34.17 1pkl s MET 259 CO -0.00 -0.14 1.01 0.08 1.05 0.00 0.00 175.02 177.01 1pkl s VAL 260 N 1.24 4.39 -1.12 10.11 1.01 0.30 -1.32 120.40 135.01 1pkl s VAL 260 Ca -0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1pkl s VAL 260 Cb -0.14 -4.71 0.10 0.00 0.00 0.00 0.00 36.38 31.63 1pkl s VAL 260 CO -0.05 -1.48 1.46 0.00 0.00 0.00 0.00 175.10 175.02 1pkl s ALA 261 N 3.83 3.29 0.17 5.51 0.00 -1.14 -1.58 121.76 131.84 1pkl s ALA 261 Ca 0.25 -2.78 -0.15 0.00 0.00 0.00 0.00 51.96 49.27 1pkl s ALA 261 Cb -0.14 -4.37 0.14 0.00 0.00 0.00 0.00 23.12 18.74 1pkl s ALA 261 CO 0.06 -3.22 1.70 0.00 0.00 0.00 0.00 175.76 174.30 1pkl h ARG 262 N 8.42 0.13 -0.90 0.00 -0.00 -1.86 -1.00 114.38 119.18 1pkl h ARG 262 Ca 0.28 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.74 1pkl h ARG 262 Cb 0.95 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.84 1pkl h ARG 262 CO 1.33 0.08 0.51 0.78 0.00 0.00 0.00 179.97 182.68 1pkl h GLY 263 N 0.13 1.33 1.08 0.04 0.00 -1.89 0.14 103.07 103.90 1pkl h GLY 263 Ca 0.21 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 1pkl h GLY 263 CO -0.34 0.56 -0.54 -0.55 0.00 0.00 0.00 176.54 175.67 1pkl h ASP 264 N 1.25 0.88 0.03 0.19 3.32 -1.80 -2.87 116.42 117.42 1pkl h ASP 264 Ca 0.32 -0.56 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1pkl h ASP 264 Cb -0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1pkl h ASP 264 CO -0.05 1.28 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.55 1pkl h LEU 265 N 0.52 0.20 -0.60 1.55 3.38 -0.93 -2.48 115.31 116.95 1pkl h LEU 265 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pkl h LEU 265 Cb 1.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1pkl h LEU 265 CO 0.12 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1pkl n GLY 266 N -0.90 -1.31 0.28 0.83 0.00 0.48 -1.84 105.19 102.72 1pkl n GLY 266 Ca -0.01 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 1.22 -0.00 1.61 2.07 -1.37 -3.32 116.25 116.46 1pkl h VAL 267 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1pkl h VAL 267 Cb 0.40 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1pkl h VAL 267 CO 0.00 0.25 -0.01 -1.84 0.02 0.00 0.00 177.57 175.99 1pkl n GLU 268 N -4.49 -0.00 -4.83 1.57 0.28 -1.20 -4.93 120.64 107.04 1pkl n GLU 268 Ca 0.05 -0.57 -0.27 0.00 -0.16 0.00 0.00 57.16 56.20 1pkl n GLU 268 Cb 0.12 -1.00 -0.17 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.28 1.48 0.19 3.84 1.01 -0.76 -4.53 121.20 122.14 1pkl s ILE 269 Ca 0.02 -0.68 -0.32 0.00 0.00 0.00 0.00 60.65 59.67 1pkl s ILE 269 Cb 0.02 -1.31 -0.16 0.00 0.01 0.00 0.00 42.46 41.01 1pkl s ILE 269 CO 0.03 0.43 1.01 -2.65 0.00 0.00 0.00 174.94 173.77 1pkl n PRO 270 N 3.68 0.89 -0.20 2.79 -0.02 -1.26 -4.26 135.00 136.62 1pkl n PRO 270 Ca -0.21 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1pkl n PRO 270 Cb 0.52 -1.70 0.09 0.00 -0.02 0.00 0.00 33.50 32.39 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 2.65 0.56 -0.14 3.55 0.00 -1.95 -0.01 119.26 123.91 1pkl h ALA 271 Ca -0.40 0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1pkl h ALA 271 Cb 1.37 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1pkl h ALA 271 CO 0.65 -0.40 0.10 1.05 0.00 0.00 0.00 179.25 180.65 1pkl h GLU 272 N 0.10 0.15 0.01 0.00 9.09 -2.01 -1.28 114.58 120.65 1pkl h GLU 272 Ca 0.31 -0.01 -0.23 0.00 0.05 0.00 0.00 59.36 59.48 1pkl h GLU 272 Cb 0.49 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1pkl h GLU 272 CO -0.52 0.10 -0.96 0.87 0.05 0.00 0.00 179.01 178.55 1pkl h LYS 273 N 0.16 0.41 -0.34 1.06 1.57 -1.38 -3.15 116.57 114.89 1pkl h LYS 273 Ca 0.06 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1pkl h LYS 273 Cb 0.03 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1pkl h LYS 273 CO -0.01 1.12 0.13 0.28 -0.57 0.00 0.00 179.45 180.39 1pkl h VAL 274 N 0.22 1.14 -0.07 0.50 2.07 -0.22 0.22 116.25 120.11 1pkl h VAL 274 Ca -0.08 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1pkl h VAL 274 Cb 1.60 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1pkl h VAL 274 CO 0.17 0.17 0.04 0.58 0.02 0.00 0.00 177.57 178.54 1pkl h VAL 275 N 0.48 1.07 -0.38 2.57 2.07 -1.38 0.53 116.25 121.21 1pkl h VAL 275 Ca 0.12 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1pkl h VAL 275 Cb 0.11 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1pkl h VAL 275 CO -0.01 0.06 -0.15 0.58 0.02 0.00 0.00 177.57 178.07 1pkl h VAL 276 N 0.04 1.26 -0.70 2.57 2.07 -1.30 -2.57 116.25 117.62 1pkl h VAL 276 Ca 0.03 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1pkl h VAL 276 Cb 0.07 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1pkl h VAL 276 CO -0.00 0.40 0.27 0.00 0.02 0.00 0.00 177.57 178.25 1pkl h ALA 277 N 1.21 1.15 -0.79 1.67 0.00 -0.18 -1.88 119.26 120.43 1pkl h ALA 277 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pkl h ALA 277 Cb 0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1pkl h ALA 277 CO 0.04 0.61 0.49 0.37 0.00 0.00 0.00 179.25 180.76 1pkl h GLN 278 N 1.02 1.06 -0.53 0.00 4.15 -0.51 -0.04 115.11 120.26 1pkl h GLN 278 Ca 0.23 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1pkl h GLN 278 Cb 0.21 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1pkl h GLN 278 CO -0.02 0.73 0.16 0.87 -1.93 0.00 0.00 178.83 178.64 1pkl h LYS 279 N 1.08 0.83 0.14 1.69 1.57 -1.09 -1.73 116.57 119.05 1pkl h LYS 279 Ca 0.29 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1pkl h LYS 279 Cb -0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1pkl h LYS 279 CO -0.06 0.77 -0.07 0.82 -0.57 0.00 0.00 179.45 180.34 1pkl h ILE 280 N 0.73 0.98 -0.50 1.86 2.04 -0.97 -1.82 117.51 119.83 1pkl h ILE 280 Ca 0.17 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1pkl h ILE 280 Cb 0.29 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1pkl h ILE 280 CO -0.00 0.12 0.16 -0.07 0.00 0.00 0.00 178.15 178.36 1pkl h LEU 281 N -0.44 0.67 -0.21 1.44 3.38 -1.00 -1.22 115.31 117.93 1pkl h LEU 281 Ca -0.02 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1pkl h LEU 281 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pkl h LEU 281 CO 0.03 0.64 -0.21 0.40 0.09 0.00 0.00 178.44 179.39 1pkl h ILE 282 N 0.72 1.33 -0.65 1.22 2.04 -1.30 -2.35 117.51 118.52 1pkl h ILE 282 Ca 0.17 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 1pkl h ILE 282 Cb 0.21 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1pkl h ILE 282 CO -0.01 0.42 0.17 0.28 0.00 0.00 0.00 178.15 179.01 1pkl h SER 283 N 0.19 0.95 -0.59 1.72 0.02 -1.07 -0.60 113.55 114.16 1pkl h SER 283 Ca 0.03 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1pkl h SER 283 Cb 0.76 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1pkl h SER 283 CO 0.05 0.91 0.10 0.11 -1.14 0.00 0.00 176.83 176.86 1pkl h LYS 284 N 0.97 1.01 -0.44 3.45 1.57 -1.21 -1.59 116.57 120.33 1pkl h LYS 284 Ca 0.21 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1pkl h LYS 284 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1pkl h LYS 284 CO -0.00 0.92 -0.28 0.00 -0.57 0.00 0.00 179.45 179.52 1pkl h ASN 286 N 0.82 0.09 -0.38 0.00 -0.26 -0.85 0.30 115.58 115.30 1pkl h ASN 286 Ca 0.09 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 1pkl h ASN 286 Cb 0.87 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.12 1pkl h ASN 286 CO 0.08 0.08 0.06 0.58 -1.06 0.00 0.00 177.43 177.17 1pkl h VAL 287 N 0.18 1.22 0.00 2.81 2.07 -1.23 -2.50 116.25 118.80 1pkl h VAL 287 Ca 0.09 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1pkl h VAL 287 Cb 0.06 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1pkl h VAL 287 CO -0.10 0.30 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 1pkl h ALA 288 N 1.37 1.01 0.00 1.67 0.00 -0.59 -3.47 119.26 119.25 1pkl h ALA 288 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pkl h ALA 288 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pkl h ALA 288 CO 0.01 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1pkl n GLY 289 N 0.21 0.67 3.27 0.00 0.00 0.03 -5.07 105.19 104.29 1pkl n GLY 289 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.97 1.89 0.32 1.61 1.02 -0.97 -4.79 119.74 115.85 1pkl s LYS 290 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1pkl s LYS 290 Cb 0.00 -1.83 -0.12 0.00 -0.52 0.00 0.00 37.83 35.36 1pkl s LYS 290 CO 0.00 0.50 1.32 -0.35 -0.92 0.00 0.00 175.35 175.90 1pkl n PRO 291 N 2.49 2.15 -4.61 -1.68 -0.04 -1.26 -4.45 135.00 127.60 1pkl n PRO 291 Ca -0.16 0.75 -0.24 0.00 -0.04 0.00 0.00 63.50 63.82 1pkl n PRO 291 Cb 0.52 -2.36 -0.16 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.90 1.14 -0.15 0.52 0.11 -1.26 -1.54 120.40 118.32 1pkl s VAL 292 Ca 0.58 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1pkl s VAL 292 Cb -0.58 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1pkl s VAL 292 CO 0.60 0.35 -0.04 -0.63 -3.33 0.00 0.00 175.10 172.05 1pkl s ILE 293 N 0.43 3.88 -0.26 7.04 1.01 -0.36 -1.26 121.20 131.68 1pkl s ILE 293 Ca -0.10 -0.36 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1pkl s ILE 293 Cb -0.13 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1pkl s ILE 293 CO 0.03 0.50 0.67 0.00 0.00 0.00 0.00 174.94 176.13 1pkl n ALA 295 N 5.81 1.74 -2.67 0.00 0.00 -0.61 -1.83 120.51 122.93 1pkl n ALA 295 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.65 1pkl n ALA 295 Cb 0.49 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.25 3.66 -1.24 0.00 -4.23 -1.26 -4.56 115.64 105.76 1pkl s THR 296 Ca -0.14 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 1pkl s THR 296 Cb 0.04 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1pkl s THR 296 CO 0.32 -0.34 0.67 0.00 -0.54 0.00 0.00 174.62 174.74 1pkl n GLN 297 N -1.02 -2.26 -3.96 3.99 6.02 -1.26 -4.71 117.38 114.19 1pkl n GLN 297 Ca -0.06 0.46 -0.35 0.00 -0.01 0.00 0.00 57.00 57.04 1pkl n GLN 297 Cb 0.59 -4.36 -0.11 0.00 1.02 0.00 0.00 30.24 27.38 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 -6.15 3.82 -1.58 -1.09 -1.94 -1.26 -4.39 119.30 106.71 1pkl s MET 298 Ca 0.28 -0.41 -0.14 0.00 -1.71 0.00 0.00 55.69 53.71 1pkl s MET 298 Cb -0.10 -3.23 0.10 0.00 2.01 0.00 0.00 34.83 33.61 1pkl s MET 298 CO 0.86 0.09 0.84 1.28 -0.01 0.00 0.00 175.02 178.08 1pkl n LEU 299 N 4.08 -2.21 -0.22 -0.03 4.77 -1.26 -4.84 117.00 117.30 1pkl n LEU 299 Ca -0.16 -0.90 0.02 0.00 -0.03 0.00 0.00 56.01 54.94 1pkl n LEU 299 Cb 0.52 -2.34 0.12 0.00 -2.33 0.00 0.00 43.42 39.39 1pkl n LEU 299 CO 0.33 0.39 0.87 -0.08 -1.33 0.00 0.00 177.39 177.57 1pkl h GLU 300 N -1.82 0.17 0.00 3.23 4.81 -1.96 -2.02 114.58 116.99 1pkl h GLU 300 Ca -0.59 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1pkl h GLU 300 Cb 1.38 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1pkl h GLU 300 CO 0.71 0.11 0.00 0.66 -0.73 0.00 0.00 179.01 179.76 1pkl h SER 301 N 0.17 0.00 0.50 1.04 4.64 -1.93 -2.77 113.55 115.20 1pkl h SER 301 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1pkl h SER 301 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1pkl h SER 301 CO -0.51 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.68 1pkl n MET 302 N -2.78 0.09 0.31 4.77 2.81 -0.76 -1.63 117.12 119.93 1pkl n MET 302 Ca -0.00 0.18 0.20 0.00 -1.81 0.00 0.00 57.70 56.26 1pkl n MET 302 Cb 0.20 -1.50 0.99 0.00 -0.71 0.00 0.00 33.22 32.21 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 0.11 0.00 2.03 2.02 -1.65 -3.33 112.91 112.09 1pkl h THR 303 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1pkl h THR 303 Cb 0.25 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1pkl h THR 303 CO 0.00 0.02 -0.21 0.00 0.37 0.00 0.00 175.52 175.70 1pkl n TYR 304 N -3.21 0.00 -3.61 3.16 0.18 -1.16 -0.72 117.16 111.79 1pkl n TYR 304 Ca -0.02 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.41 1pkl n TYR 304 Cb 0.16 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.06 1pkl n TYR 304 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1pkl s ASN 305 N -1.28 6.63 0.36 9.48 0.02 -0.65 -4.90 114.94 124.60 1pkl s ASN 305 Ca 0.00 0.76 0.27 0.00 -1.02 0.00 0.00 52.86 52.87 1pkl s ASN 305 Cb 0.00 -2.17 1.04 0.00 0.02 0.00 0.00 41.25 40.14 1pkl s ASN 305 CO 0.00 0.22 1.80 1.55 0.02 0.00 0.00 177.10 180.69 1pkl h PRO 306 N 3.95 0.00 -5.14 -0.60 0.13 -1.87 -3.38 132.00 125.10 1pkl h PRO 306 Ca -0.50 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 1pkl h PRO 306 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1pkl h PRO 306 CO 0.65 0.00 -0.81 1.03 -0.23 0.00 0.00 178.00 178.65 1pkl s ARG 307 N -3.39 1.14 0.85 0.86 0.52 -1.26 -4.99 118.95 112.68 1pkl s ARG 307 Ca 0.04 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.66 1pkl s ARG 307 Cb 0.09 -1.08 0.13 0.00 0.52 0.00 0.00 34.95 34.62 1pkl s ARG 307 CO 0.48 0.26 1.20 -1.25 0.02 0.00 0.00 175.30 176.02 1pkl s PRO 308 N -0.21 1.40 0.58 3.54 0.04 -1.26 -4.62 135.00 134.48 1pkl s PRO 308 Ca 0.03 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 60.76 1pkl s PRO 308 Cb -0.06 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1pkl s PRO 308 CO -0.00 -1.89 0.88 0.95 0.04 0.00 0.00 177.00 176.98 1pkl s THR 309 N -3.63 3.54 0.15 1.26 -4.23 -1.26 -4.96 115.64 106.51 1pkl s THR 309 Ca 0.67 -0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.87 1pkl s THR 309 Cb -0.07 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.40 1pkl s THR 309 CO 0.50 -0.39 1.66 -0.09 -0.54 0.00 0.00 174.62 175.75 1pkl h ARG 310 N -0.13 -0.14 -0.78 3.99 9.65 -2.00 -2.34 114.38 122.63 1pkl h ARG 310 Ca -0.45 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.41 1pkl h ARG 310 Cb 1.26 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.84 1pkl h ARG 310 CO 0.60 -0.09 0.39 0.00 2.80 0.00 0.00 179.97 183.67 1pkl h ALA 311 N 1.02 1.23 -0.36 2.80 0.00 -2.00 -2.27 119.26 119.68 1pkl h ALA 311 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 311 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1pkl h ALA 311 CO -0.34 0.60 -0.08 0.93 0.00 0.00 0.00 179.25 180.36 1pkl h GLU 312 N 1.10 0.61 -0.25 0.00 5.08 -1.85 -0.90 114.58 118.36 1pkl h GLU 312 Ca 0.27 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1pkl h GLU 312 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pkl h GLU 312 CO -0.04 0.69 0.04 0.28 -1.00 0.00 0.00 179.01 178.98 1pkl h VAL 313 N 0.57 1.23 -0.19 3.13 2.07 -0.90 -2.32 116.25 119.84 1pkl h VAL 313 Ca 0.11 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 1pkl h VAL 313 Cb 0.48 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1pkl h VAL 313 CO 0.03 0.24 -0.26 0.77 0.02 0.00 0.00 177.57 178.37 1pkl h SER 314 N 0.23 0.35 -0.58 0.57 4.64 -1.20 -2.10 113.55 115.47 1pkl h SER 314 Ca 0.08 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1pkl h SER 314 Cb 0.32 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1pkl h SER 314 CO 0.00 0.61 0.35 -0.78 -0.87 0.00 0.00 176.83 176.15 1pkl h ASP 315 N 0.32 0.70 -0.54 4.97 3.58 -0.94 0.11 116.42 124.62 1pkl h ASP 315 Ca 0.05 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 1pkl h ASP 315 Cb 0.63 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1pkl h ASP 315 CO 0.04 0.55 0.02 0.58 -2.88 0.00 0.00 179.24 177.56 1pkl h VAL 316 N 0.78 1.26 -0.33 2.25 2.07 -1.02 -2.38 116.25 118.88 1pkl h VAL 316 Ca 0.21 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1pkl h VAL 316 Cb -0.02 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1pkl h VAL 316 CO -0.04 0.38 0.13 0.00 0.02 0.00 0.00 177.57 178.06 1pkl h ALA 317 N 0.96 0.43 0.00 1.67 0.00 -0.98 -2.97 119.26 118.36 1pkl h ALA 317 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pkl h ALA 317 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pkl h ALA 317 CO 0.02 0.03 -0.04 -0.91 0.00 0.00 0.00 179.25 178.36 1pkl h ASN 318 N 0.38 0.00 0.11 0.00 2.35 -0.64 -0.93 115.58 116.86 1pkl h ASN 318 Ca 0.11 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1pkl h ASN 318 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1pkl h ASN 318 CO -0.01 0.04 -0.50 0.00 -1.65 0.00 0.00 177.43 175.31 1pkl h ALA 319 N 1.96 0.84 -0.08 -0.83 0.00 -1.27 0.14 119.26 120.02 1pkl h ALA 319 Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1pkl h ALA 319 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pkl h ALA 319 CO 0.00 0.67 -0.36 0.28 0.00 0.00 0.00 179.25 179.84 1pkl h VAL 320 N 0.35 1.41 -0.48 0.00 2.07 -1.24 -1.49 116.25 116.87 1pkl h VAL 320 Ca 0.02 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1pkl h VAL 320 Cb 1.00 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1pkl h VAL 320 CO 0.09 0.51 0.26 -0.26 0.02 0.00 0.00 177.57 178.19 1pkl h PHE 321 N -0.08 0.64 -0.23 1.57 0.04 -1.02 -0.12 116.94 117.74 1pkl h PHE 321 Ca -0.02 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 1pkl h PHE 321 Cb 1.01 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1pkl h PHE 321 CO 0.12 0.45 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.30 1pkl h ASN 322 N 0.66 0.33 0.00 2.17 -0.26 -0.63 -3.46 115.58 114.39 1pkl h ASN 322 Ca 0.17 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1pkl h ASN 322 Cb 0.02 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1pkl h ASN 322 CO -0.03 0.45 0.00 0.61 -1.06 0.00 0.00 177.43 177.40 1pkl n GLY 323 N -0.90 1.44 3.78 2.83 0.00 -0.06 -4.61 105.19 107.67 1pkl n GLY 323 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.90 3.48 -0.04 4.61 0.00 -0.59 -4.93 121.76 122.40 1pkl s ALA 324 Ca 0.00 1.57 -0.23 0.00 0.00 0.00 0.00 51.96 53.30 1pkl s ALA 324 Cb 0.00 -3.61 -0.27 0.00 0.00 0.00 0.00 23.12 19.23 1pkl s ALA 324 CO 0.00 -1.13 0.96 -0.44 0.00 0.00 0.00 175.76 175.15 1pkl h ASP 325 N 2.78 0.39 -3.84 0.00 5.19 -1.49 -3.45 116.42 116.01 1pkl h ASP 325 Ca -0.51 -0.88 -0.42 0.00 -0.62 0.00 0.00 57.03 54.60 1pkl h ASP 325 Cb 1.25 -0.12 -0.17 0.00 0.18 0.00 0.00 39.33 40.46 1pkl h ASP 325 CO 0.63 1.23 -0.75 0.00 -3.12 0.00 0.00 179.24 177.23 1pkl s VAL 327 N -2.42 1.96 0.14 0.00 -7.23 -0.33 -1.31 120.40 111.22 1pkl s VAL 327 Ca 0.13 -1.40 0.10 0.00 -1.81 0.00 0.00 61.98 59.00 1pkl s VAL 327 Cb -0.03 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1pkl s VAL 327 CO 0.04 0.23 -0.24 -0.32 -0.31 0.00 0.00 175.10 174.50 1pkl s MET 328 N -1.41 1.34 -0.08 4.82 1.75 -0.76 -1.45 119.30 123.50 1pkl s MET 328 Ca 0.10 -1.35 0.04 0.00 -1.25 0.00 0.00 55.69 53.24 1pkl s MET 328 Cb -0.10 -1.68 -0.00 0.00 2.84 0.00 0.00 34.83 35.89 1pkl s MET 328 CO 0.03 0.38 -0.22 -0.51 -0.65 0.00 0.00 175.02 174.05 1pkl s LEU 329 N -2.23 2.01 0.00 4.11 1.43 -0.11 -4.52 118.68 119.37 1pkl s LEU 329 Ca 0.14 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1pkl s LEU 329 Cb -0.09 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1pkl s LEU 329 CO 0.06 0.16 0.00 -1.20 0.23 0.00 0.00 176.35 175.61 1pkl n SER 330 N 3.38 0.00 0.26 2.29 7.64 -1.26 -1.38 113.62 124.54 1pkl n SER 330 Ca -0.19 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.83 1pkl n SER 330 Cb 0.53 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.39 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 1.27 0.23 0.00 -1.96 -1.10 103.07 101.51 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 0.38 0.83 0.00 0.00 0.00 176.54 177.75 1pkl h GLU 332 N 0.00 0.60 0.00 4.80 3.07 -1.91 0.14 114.58 121.29 1pkl h GLU 332 Ca -0.00 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.58 1pkl h GLU 332 Cb 0.49 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 1pkl h GLU 332 CO 0.02 0.40 -2.01 0.25 -1.40 0.00 0.00 179.01 176.26 1pkl n THR 333 N -4.47 0.93 -0.03 1.13 -2.24 -1.12 -3.44 114.28 105.04 1pkl n THR 333 Ca 0.07 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1pkl n THR 333 Cb 0.18 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.83 0.05 0.00 6.98 0.00 -0.79 -3.37 119.26 122.97 1pkl h ALA 334 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1pkl h ALA 334 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1pkl h ALA 334 CO 0.02 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.47 1pkl n LYS 335 N -4.77 1.04 -0.92 0.00 2.85 -0.77 -2.05 118.16 113.53 1pkl n LYS 335 Ca -0.08 -0.83 -0.30 0.00 -1.05 0.00 0.00 58.31 56.04 1pkl n LYS 335 Cb 0.29 -0.77 0.15 0.00 -0.65 0.00 0.00 35.03 34.05 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 -0.39 1.65 0.13 2.58 0.00 -0.03 -4.89 107.32 106.36 1pkl s GLY 336 Ca 0.00 0.29 0.23 0.00 0.00 0.00 0.00 44.72 45.24 1pkl s GLY 336 CO 0.00 0.74 1.07 1.17 0.00 0.00 0.00 173.10 176.08 1pkl n LYS 337 N -4.08 0.45 -3.11 2.90 4.81 0.10 -4.50 118.16 114.73 1pkl n LYS 337 Ca 0.09 0.06 -0.22 0.00 -0.87 0.00 0.00 58.31 57.37 1pkl n LYS 337 Cb 0.53 -1.71 -0.04 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.32 1.62 -0.09 5.64 4.01 -1.26 -4.99 117.16 119.76 1pkl n TYR 338 Ca 0.01 -3.88 -0.09 0.00 -0.16 0.00 0.00 57.90 53.78 1pkl n TYR 338 Cb 0.49 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 3.07 -0.32 -0.53 -0.72 0.11 -1.79 -2.08 132.00 129.75 1pkl h PRO 339 Ca 0.11 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 1pkl h PRO 339 Cb 0.79 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1pkl h PRO 339 CO 0.62 -0.21 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.14 1pkl h ASN 340 N -0.33 1.04 -0.51 -2.05 2.35 -1.92 -3.12 115.58 111.04 1pkl h ASN 340 Ca 0.14 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.47 1pkl h ASN 340 Cb 0.57 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1pkl h ASN 340 CO -0.50 1.17 0.16 -0.33 -1.65 0.00 0.00 177.43 176.28 1pkl h GLU 341 N 0.90 0.86 -0.13 0.81 3.07 -1.90 -0.69 114.58 117.49 1pkl h GLU 341 Ca 0.13 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1pkl h GLU 341 Cb 0.73 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1pkl h GLU 341 CO 0.06 0.75 -0.04 0.28 -1.40 0.00 0.00 179.01 178.67 1pkl h VAL 342 N 0.83 1.29 -0.40 3.13 2.07 -1.39 -0.37 116.25 121.42 1pkl h VAL 342 Ca 0.19 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1pkl h VAL 342 Cb 0.27 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1pkl h VAL 342 CO -0.01 0.29 0.23 0.58 0.02 0.00 0.00 177.57 178.68 1pkl h VAL 343 N -0.06 1.14 -0.45 2.57 2.07 -1.46 0.16 116.25 120.21 1pkl h VAL 343 Ca 0.03 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1pkl h VAL 343 Cb 0.46 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1pkl h VAL 343 CO 0.01 0.14 0.28 1.56 0.02 0.00 0.00 177.57 179.58 1pkl h GLN 344 N 0.52 0.61 -0.67 1.57 4.20 -1.07 -0.02 115.11 120.24 1pkl h GLN 344 Ca 0.14 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1pkl h GLN 344 Cb 0.02 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1pkl h GLN 344 CO -0.03 0.44 0.15 -0.92 -0.67 0.00 0.00 178.83 177.80 1pkl h TYR 345 N 0.60 1.13 -0.41 2.96 5.03 -0.67 -1.53 116.97 124.08 1pkl h TYR 345 Ca 0.16 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1pkl h TYR 345 Cb -0.02 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 37.92 1pkl h TYR 345 CO -0.03 0.93 0.13 1.98 -1.32 0.00 0.00 178.16 179.85 1pkl h MET 346 N 1.02 0.63 -0.87 1.82 4.05 -0.15 -1.78 114.93 119.65 1pkl h MET 346 Ca 0.21 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1pkl h MET 346 Cb 0.38 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.04 1pkl h MET 346 CO 0.00 0.62 0.57 0.00 0.23 0.00 0.00 176.91 178.33 1pkl h ALA 347 N 0.98 1.10 -0.88 0.39 0.00 -0.73 -1.56 119.26 118.56 1pkl h ALA 347 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 347 Cb 0.25 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1pkl h ALA 347 CO -0.01 0.52 0.50 -0.09 0.00 0.00 0.00 179.25 180.17 1pkl h ARG 348 N 1.18 1.22 -0.29 0.00 2.43 -0.95 -0.25 114.38 117.73 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 -0.12 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.18 1pkl h ARG 348 CO -0.07 0.88 -0.42 0.82 -1.51 0.00 0.00 179.97 179.67 1pkl h ILE 349 N 1.23 1.29 -0.26 1.20 2.04 -0.88 -2.23 117.51 119.91 1pkl h ILE 349 Ca 0.31 -1.60 -0.13 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 37.60 1pkl h ILE 349 CO -0.05 0.52 -0.39 0.00 0.00 0.00 0.00 178.15 178.22 1pkl h LEU 351 N 0.49 0.40 -0.58 0.00 6.46 -0.98 -1.72 115.31 119.39 1pkl h LEU 351 Ca 0.04 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.40 1pkl h LEU 351 Cb 0.90 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1pkl h LEU 351 CO 0.08 0.65 0.14 -0.08 -0.62 0.00 0.00 178.44 178.61 1pkl h GLU 352 N 0.15 0.93 -0.76 1.25 4.57 -1.31 -2.59 114.58 116.81 1pkl h GLU 352 Ca 0.06 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1pkl h GLU 352 Cb 0.47 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1pkl h GLU 352 CO 0.02 0.86 0.40 0.00 -1.18 0.00 0.00 179.01 179.11 1pkl h ALA 353 N 1.03 0.97 -0.66 2.92 0.00 -1.00 -2.87 119.26 119.65 1pkl h ALA 353 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pkl h ALA 353 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1pkl h ALA 353 CO 0.00 0.50 0.38 0.37 0.00 0.00 0.00 179.25 180.50 1pkl h GLN 354 N 1.05 0.91 -0.37 0.00 4.15 -1.12 -2.05 115.11 117.68 1pkl h GLN 354 Ca 0.26 -0.10 0.11 0.00 0.77 0.00 0.00 58.65 59.69 1pkl h GLN 354 Cb 0.06 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1pkl h GLN 354 CO -0.04 0.67 0.29 0.66 -1.93 0.00 0.00 178.83 178.48 1pkl h SER 355 N 0.90 0.00 0.53 -0.69 4.64 -1.23 -1.01 113.55 116.69 1pkl h SER 355 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1pkl h SER 355 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pkl h SER 355 CO -0.04 0.00 -1.08 0.00 -0.87 0.00 0.00 176.83 174.84 1pkl n ALA 356 N -2.56 3.14 -2.19 5.18 0.00 -0.91 -4.93 120.51 118.24 1pkl n ALA 356 Ca 0.06 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1pkl n ALA 356 Cb 0.47 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -4.27 4.36 -0.76 0.00 0.20 -0.38 -4.88 118.68 112.95 1pkl s LEU 357 Ca 0.02 2.28 -0.18 0.00 0.69 0.00 0.00 54.13 56.94 1pkl s LEU 357 Cb 0.13 -3.58 0.13 0.00 -0.43 0.00 0.00 46.19 42.44 1pkl s LEU 357 CO 0.80 -0.65 0.88 0.21 -0.29 0.00 0.00 176.35 177.30 1pkl s ASN 358 N 1.23 6.44 0.35 3.68 2.47 -1.26 -4.89 114.94 122.96 1pkl s ASN 358 Ca 0.64 -1.84 0.27 0.00 0.42 0.00 0.00 52.86 52.35 1pkl s ASN 358 Cb -0.36 -2.33 1.09 0.00 -1.45 0.00 0.00 41.25 38.21 1pkl s ASN 358 CO 0.30 -1.02 1.80 -0.33 -3.72 0.00 0.00 177.10 174.13 1pkl h GLU 359 N 8.83 0.00 0.00 0.43 5.08 -1.93 -2.81 114.58 124.19 1pkl h GLU 359 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1pkl h GLU 359 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1pkl h GLU 359 CO 1.04 0.00 -0.09 -0.92 -1.00 0.00 0.00 179.01 178.05 1pkl h TYR 360 N 0.00 0.00 -0.23 4.33 3.20 -1.90 -2.09 116.97 120.28 1pkl h TYR 360 Ca 0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1pkl h TYR 360 Cb 0.44 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1pkl h TYR 360 CO 0.00 0.09 -0.22 0.28 -1.64 0.00 0.00 178.16 176.66 1pkl h VAL 361 N 0.00 1.32 0.12 1.81 2.07 -1.89 -1.01 116.25 118.67 1pkl h VAL 361 Ca -0.00 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1pkl h VAL 361 Cb 0.58 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1pkl h VAL 361 CO 0.01 0.43 -0.06 -0.26 0.02 0.00 0.00 177.57 177.71 1pkl h PHE 362 N 0.26 -0.14 -0.18 1.57 -1.00 -1.61 0.27 116.94 116.12 1pkl h PHE 362 Ca 0.04 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.86 1pkl h PHE 362 Cb 0.77 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.33 1pkl h PHE 362 CO 0.08 -0.01 -0.16 0.35 -1.61 0.00 0.00 178.31 176.96 1pkl h PHE 363 N -0.25 -0.40 0.16 -0.55 3.57 -1.38 0.20 116.94 118.28 1pkl h PHE 363 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1pkl h PHE 363 Cb 0.20 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1pkl h PHE 363 CO -0.04 -0.23 -0.08 -0.97 -2.23 0.00 0.00 178.31 174.77 1pkl h ASN 364 N -0.17 -0.18 -0.69 0.41 -0.73 -1.05 -0.93 115.58 112.24 1pkl h ASN 364 Ca 0.11 -0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.29 1pkl h ASN 364 Cb 0.34 0.05 -0.04 0.00 0.27 0.00 0.00 38.32 38.93 1pkl h ASN 364 CO -0.28 -0.07 0.45 0.28 -0.37 0.00 0.00 177.43 177.44 1pkl h SER 365 N -0.27 0.65 1.60 1.15 0.02 -0.11 -0.91 113.55 115.68 1pkl h SER 365 Ca -0.02 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1pkl h SER 365 Cb 0.21 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1pkl h SER 365 CO 0.04 0.43 -0.24 0.40 -1.14 0.00 0.00 176.83 176.31 1pkl h ILE 366 N 0.74 0.44 -0.03 3.27 2.04 -0.40 -3.15 117.51 120.43 1pkl h ILE 366 Ca 0.29 -1.51 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 1pkl h ILE 366 Cb 0.20 2.13 0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1pkl h ILE 366 CO -0.09 0.24 -0.40 0.11 0.00 0.00 0.00 178.15 178.01 1pkl h LYS 367 N 0.00 0.33 0.00 2.37 1.57 0.14 -3.25 116.57 117.73 1pkl h LYS 367 Ca -0.00 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1pkl h LYS 367 Cb 1.11 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1pkl h LYS 367 CO 0.03 0.98 -0.07 0.87 -0.57 0.00 0.00 179.45 180.69 1pkl h LYS 368 N -0.21 0.00 0.00 3.15 1.57 -1.35 -1.95 116.57 117.77 1pkl h LYS 368 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1pkl h LYS 368 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1pkl h LYS 368 CO 0.08 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.32 1pkl n LEU 369 N -4.18 0.30 -4.72 2.94 4.77 -1.19 -4.85 117.00 110.07 1pkl n LEU 369 Ca -0.03 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 1pkl n LEU 369 Cb 0.16 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1pkl n LEU 369 CO 0.33 -0.08 0.86 -1.10 -1.33 0.00 0.00 177.39 176.07 1pkl s GLN 370 N -3.04 4.48 0.15 3.23 -1.52 -0.74 -5.00 119.66 117.22 1pkl s GLN 370 Ca 0.13 1.76 -0.30 0.00 -1.95 0.00 0.00 55.36 54.99 1pkl s GLN 370 Cb 0.16 -3.32 -0.07 0.00 -0.22 0.00 0.00 33.01 29.56 1pkl s GLN 370 CO 0.55 -0.16 0.99 -1.58 -0.25 0.00 0.00 175.29 174.83 1pkl s HIS 371 N 0.66 3.80 -0.13 0.91 5.65 -1.26 -5.06 115.29 119.86 1pkl s HIS 371 Ca 0.56 1.78 -0.01 0.00 0.25 0.00 0.00 55.06 57.64 1pkl s HIS 371 Cb -0.29 -3.09 -0.02 0.00 -1.18 0.00 0.00 32.58 28.00 1pkl s HIS 371 CO 0.31 0.09 -0.10 0.42 -0.65 0.00 0.00 174.74 174.81 1pkl s ILE 372 N -0.27 3.31 0.63 0.89 1.01 -1.26 -3.22 121.20 122.30 1pkl s ILE 372 Ca 0.46 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 1pkl s ILE 372 Cb -0.25 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1pkl s ILE 372 CO 0.31 0.52 1.08 -2.16 0.00 0.00 0.00 174.94 174.69 1pkl s PRO 373 N 0.31 3.07 0.38 2.79 0.04 -1.26 -5.21 135.00 135.13 1pkl s PRO 373 Ca -0.08 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.30 1pkl s PRO 373 Cb -0.15 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1pkl s PRO 373 CO 0.05 -1.01 0.04 0.00 0.04 0.00 0.00 177.00 176.12 1pkl s MET 374 N -4.15 2.05 0.80 4.56 0.23 -1.20 -5.14 119.30 116.45 1pkl s MET 374 Ca 0.65 -1.91 -0.12 0.00 -1.03 0.00 0.00 55.69 53.28 1pkl s MET 374 Cb -0.18 -1.82 0.07 0.00 -1.53 0.00 0.00 34.83 31.37 1pkl s MET 374 CO 0.40 0.01 1.10 -1.54 -2.03 0.00 0.00 175.02 172.96 1pkl s SER 375 N -3.75 4.46 0.11 -1.18 1.04 -1.26 -4.85 113.70 108.27 1pkl s SER 375 Ca 0.36 1.25 -0.31 0.00 0.48 0.00 0.00 55.95 57.74 1pkl s SER 375 Cb 0.05 -1.97 -0.10 0.00 0.10 0.00 0.00 66.02 64.09 1pkl s SER 375 CO 0.19 -1.98 1.59 0.00 0.98 0.00 0.00 173.24 174.02 1pkl h ALA 376 N -1.10 -0.76 -0.52 5.32 0.00 -1.99 -1.38 119.26 118.83 1pkl h ALA 376 Ca -0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1pkl h ALA 376 Cb 1.27 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 1pkl h ALA 376 CO 0.60 -0.99 0.22 0.38 0.00 0.00 0.00 179.25 179.45 1pkl h ASP 377 N -0.66 0.68 -0.25 0.00 3.04 -1.95 0.11 116.42 117.39 1pkl h ASP 377 Ca 0.02 -0.08 0.02 0.00 -3.24 0.00 0.00 57.03 53.75 1pkl h ASP 377 Cb 0.68 -0.17 -0.02 0.00 -1.04 0.00 0.00 39.33 38.78 1pkl h ASP 377 CO -0.24 0.61 0.11 -0.08 -2.04 0.00 0.00 179.24 177.60 1pkl h GLU 378 N 0.74 0.23 -0.46 4.15 4.57 -1.85 -0.64 114.58 121.32 1pkl h GLU 378 Ca 0.18 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 1pkl h GLU 378 Cb 0.14 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1pkl h GLU 378 CO -0.02 0.15 -0.11 0.00 -1.18 0.00 0.00 179.01 177.86 1pkl h ALA 379 N 1.14 0.94 -0.44 2.92 0.00 -0.79 -2.76 119.26 120.27 1pkl h ALA 379 Ca 0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1pkl h ALA 379 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pkl h ALA 379 CO -0.08 0.62 -0.08 0.28 0.00 0.00 0.00 179.25 179.99 1pkl h VAL 380 N 0.76 1.27 -0.10 0.00 2.07 -0.29 -2.08 116.25 117.88 1pkl h VAL 380 Ca 0.13 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1pkl h VAL 380 Cb 0.61 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1pkl h VAL 380 CO 0.04 0.40 -0.43 0.00 0.02 0.00 0.00 177.57 177.60 1pkl h SER 382 N 0.19 0.65 -0.37 0.00 4.64 -1.46 -2.42 113.55 114.78 1pkl h SER 382 Ca 0.02 -0.67 -0.07 0.00 -0.47 0.00 0.00 61.79 60.60 1pkl h SER 382 Cb 0.84 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1pkl h SER 382 CO 0.07 1.21 0.01 0.28 -0.87 0.00 0.00 176.83 177.53 1pkl h SER 383 N 0.13 0.71 -0.45 4.97 0.02 -1.29 0.24 113.55 117.88 1pkl h SER 383 Ca -0.05 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1pkl h SER 383 Cb 1.23 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1pkl h SER 383 CO 0.12 0.78 0.08 0.00 -1.14 0.00 0.00 176.83 176.66 1pkl h ALA 384 N 1.30 0.60 0.00 3.77 0.00 -1.16 0.68 119.26 124.46 1pkl h ALA 384 Ca 0.14 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1pkl h ALA 384 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pkl h ALA 384 CO 0.02 0.32 -0.48 0.28 0.00 0.00 0.00 179.25 179.39 1pkl h VAL 385 N 0.61 1.08 -0.29 0.00 2.07 -1.12 -2.38 116.25 116.22 1pkl h VAL 385 Ca 0.14 -1.81 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 1pkl h VAL 385 Cb 0.38 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1pkl h VAL 385 CO 0.01 0.47 -0.01 -1.13 0.02 0.00 0.00 177.57 176.93 1pkl h ASN 386 N 0.00 0.50 -0.58 0.57 -0.00 -0.04 -2.51 115.58 113.52 1pkl h ASN 386 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 1pkl h ASN 386 Cb 1.02 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 39.17 1pkl h ASN 386 CO 0.06 0.70 0.37 0.28 -0.00 0.00 0.00 177.43 178.84 1pkl h SER 387 N 0.30 0.69 -0.17 1.15 0.02 -0.69 -0.30 113.55 114.55 1pkl h SER 387 Ca 0.08 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1pkl h SER 387 Cb 0.45 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1pkl h SER 387 CO 0.02 0.52 0.07 0.58 -1.14 0.00 0.00 176.83 176.88 1pkl h VAL 388 N 0.80 0.98 -0.54 2.27 2.07 -1.11 0.54 116.25 121.26 1pkl h VAL 388 Ca 0.21 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 1pkl h VAL 388 Cb -0.06 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1pkl h VAL 388 CO -0.04 0.03 0.01 1.88 0.02 0.00 0.00 177.57 179.46 1pkl h TYR 389 N 0.16 0.99 0.17 1.57 0.05 -0.86 0.11 116.97 119.16 1pkl h TYR 389 Ca 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1pkl h TYR 389 Cb 0.03 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.50 1pkl h TYR 389 CO -0.10 0.89 -0.08 0.93 -1.05 0.00 0.00 178.16 178.75 1pkl h GLU 390 N 0.85 -0.21 -0.01 4.88 5.08 -0.75 -3.15 114.58 121.27 1pkl h GLU 390 Ca 0.16 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1pkl h GLU 390 Cb 0.50 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1pkl h GLU 390 CO 0.02 0.05 -0.12 0.25 -1.00 0.00 0.00 179.01 178.22 1pkl n THR 391 N -5.08 0.00 -3.82 1.13 -2.24 0.15 -4.94 114.28 99.49 1pkl n THR 391 Ca -0.09 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.29 1pkl n THR 391 Cb 0.20 0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.58 -6.16 -1.73 -0.78 5.02 0.34 -4.93 118.16 109.35 1pkl n LYS 392 Ca 0.16 0.66 -0.38 0.00 -2.02 0.00 0.00 58.31 56.73 1pkl n LYS 392 Cb 0.30 -5.58 0.05 0.00 -0.02 0.00 0.00 35.03 29.78 1pkl n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl n ALA 393 N -4.75 1.31 1.20 7.82 0.00 -0.89 -4.88 120.51 120.31 1pkl n ALA 393 Ca 0.02 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1pkl n ALA 393 Cb 0.54 -2.32 0.26 0.00 0.00 0.00 0.00 19.45 17.93 1pkl n ALA 393 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pkl n LYS 394 N -1.27 1.77 -3.53 0.00 4.76 -0.57 -4.81 118.16 114.50 1pkl n LYS 394 Ca 0.12 -1.30 -0.07 0.00 -2.87 0.00 0.00 58.31 54.19 1pkl n LYS 394 Cb 0.46 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 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 -2.13 -1.88 0.00 7.82 0.00 -1.25 -4.30 121.76 120.03 1pkl s ALA 395 Ca 0.30 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1pkl s ALA 395 Cb 0.20 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1pkl s ALA 395 CO 0.38 -0.69 -0.11 -1.64 0.00 0.00 0.00 175.76 173.70 1pkl s MET 396 N -2.96 0.88 -0.19 0.00 -1.94 -0.62 -2.18 119.30 112.29 1pkl s MET 396 Ca 0.06 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.57 1pkl s MET 396 Cb -0.01 -0.85 0.03 0.00 2.01 0.00 0.00 34.83 36.01 1pkl s MET 396 CO -0.08 0.23 -0.17 0.08 -0.01 0.00 0.00 175.02 175.07 1pkl s VAL 397 N -0.44 1.99 -0.18 -6.03 1.01 0.41 -0.20 120.40 116.96 1pkl s VAL 397 Ca 0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1pkl s VAL 397 Cb -0.05 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 1pkl s VAL 397 CO -0.00 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.71 1pkl s VAL 398 N 1.29 2.89 -0.47 2.92 1.01 0.28 -0.93 120.40 127.39 1pkl s VAL 398 Ca 0.02 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1pkl s VAL 398 Cb -0.14 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.02 1pkl s VAL 398 CO -0.11 0.49 0.64 -0.76 0.00 0.00 0.00 175.10 175.35 1pkl s LEU 399 N 1.07 4.70 -0.03 3.92 1.43 -0.78 -1.01 118.68 127.98 1pkl s LEU 399 Ca -0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1pkl s LEU 399 Cb -0.15 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.52 1pkl s LEU 399 CO -0.03 -0.84 0.03 -0.55 0.23 0.00 0.00 176.35 175.20 1pkl s SER 400 N 2.34 0.56 -0.14 2.29 0.15 -1.08 -4.38 113.70 113.44 1pkl s SER 400 Ca 0.19 0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.64 1pkl s SER 400 Cb -0.16 -0.13 -0.25 0.00 -1.71 0.00 0.00 66.02 63.76 1pkl s SER 400 CO 0.15 -0.17 0.59 0.78 1.20 0.00 0.00 173.24 175.80 1pkl h ASN 401 N 7.73 0.12 0.71 5.45 -0.26 -1.94 -3.35 115.58 124.04 1pkl h ASN 401 Ca -0.33 -0.83 0.00 0.00 -0.56 0.00 0.00 56.30 54.58 1pkl h ASN 401 Cb 1.12 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1pkl h ASN 401 CO 0.36 1.29 -0.48 0.35 -1.06 0.00 0.00 177.43 177.88 1pkl n THR 402 N -4.39 0.14 -0.45 2.81 -2.24 -1.26 -4.42 114.28 104.47 1pkl n THR 402 Ca -0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1pkl n THR 402 Cb 0.65 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.44 0.87 0.36 3.38 0.00 -1.26 -4.89 105.19 105.08 1pkl n GLY 403 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 3.83 -0.70 -0.55 1.61 2.43 -1.92 -1.87 114.38 117.21 1pkl h ARG 404 Ca 0.00 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1pkl h ARG 404 Cb 0.00 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1pkl h ARG 404 CO 0.00 -0.47 0.34 0.77 -1.51 0.00 0.00 179.97 179.10 1pkl h SER 405 N -0.73 0.55 -0.87 -3.80 0.02 -1.93 -1.07 113.55 105.72 1pkl h SER 405 Ca -0.03 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1pkl h SER 405 Cb 0.64 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1pkl h SER 405 CO -0.02 0.39 0.56 0.00 -1.14 0.00 0.00 176.83 176.62 1pkl h ALA 406 N 1.24 1.16 -0.11 3.77 0.00 -1.91 0.16 119.26 123.56 1pkl h ALA 406 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 406 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1pkl h ALA 406 CO -0.09 0.39 -0.52 -0.09 0.00 0.00 0.00 179.25 178.94 1pkl h ARG 407 N 1.08 0.29 -0.14 0.00 2.43 -0.70 -1.33 114.38 116.01 1pkl h ARG 407 Ca 0.35 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 59.14 1pkl h ARG 407 Cb 0.03 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1pkl h ARG 407 CO -0.13 0.74 -0.74 1.25 -1.51 0.00 0.00 179.97 179.58 1pkl h LEU 408 N 0.23 0.89 -0.37 3.80 5.85 -0.30 -2.64 115.31 122.77 1pkl h LEU 408 Ca 0.01 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 1pkl h LEU 408 Cb 0.99 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1pkl h LEU 408 CO 0.08 1.39 0.10 0.58 -0.34 0.00 0.00 178.44 180.25 1pkl h VAL 409 N 0.46 1.22 0.00 1.05 2.07 -0.65 -2.49 116.25 117.90 1pkl h VAL 409 Ca -0.05 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1pkl h VAL 409 Cb 1.38 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1pkl h VAL 409 CO 0.15 0.25 -0.02 0.00 0.02 0.00 0.00 177.57 177.98 1pkl h ALA 410 N 0.95 1.66 -0.51 1.67 0.00 -1.25 -1.50 119.26 120.29 1pkl h ALA 410 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pkl h ALA 410 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1pkl h ALA 410 CO -0.00 0.02 0.23 -0.22 0.00 0.00 0.00 179.25 179.28 1pkl h LYS 411 N 0.00 0.71 0.00 0.00 3.64 -1.06 -2.15 116.57 117.71 1pkl h LYS 411 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1pkl h LYS 411 Cb 0.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1pkl h LYS 411 CO 0.00 0.57 0.00 0.66 -2.27 0.00 0.00 179.45 178.41 1pkl n TYR 412 N -4.37 0.00 -3.23 1.91 4.01 -0.56 -4.85 117.16 110.07 1pkl n TYR 412 Ca 0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.71 1pkl n TYR 412 Cb 0.14 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 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 -1.36 -1.44 -2.13 -0.72 5.12 -0.81 -3.62 116.66 111.70 1pkl n ARG 413 Ca 0.09 1.36 -0.33 0.00 -1.93 0.00 0.00 57.85 57.04 1pkl n ARG 413 Cb 0.22 -4.90 0.00 0.00 -1.16 0.00 0.00 32.46 26.62 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 -3.42 3.38 -0.36 5.56 0.02 -1.26 -4.57 135.00 134.36 1pkl s PRO 414 Ca 0.02 1.26 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 1pkl s PRO 414 Cb -0.00 -2.04 0.25 0.00 0.02 0.00 0.00 34.50 32.73 1pkl s PRO 414 CO 0.79 -0.76 2.00 0.27 -0.33 0.00 0.00 177.00 178.96 1pkl n ASN 415 N -1.83 6.48 -3.62 2.53 6.94 -1.26 -4.84 115.26 119.65 1pkl n ASN 415 Ca 0.09 -3.15 -0.12 0.00 -0.02 0.00 0.00 54.58 51.39 1pkl n ASN 415 Cb 0.53 -1.03 -0.05 0.00 -2.36 0.00 0.00 39.78 36.87 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 0.04 1.57 -4.63 0.00 -0.02 -1.26 -4.81 135.00 125.89 1pkl n PRO 417 Ca -0.17 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1pkl n PRO 417 Cb 0.62 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.31 3.12 -0.24 4.25 1.01 -0.96 -1.59 121.20 125.49 1pkl s ILE 418 Ca 0.70 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 1pkl s ILE 418 Cb -0.44 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 39.71 1pkl s ILE 418 CO 0.51 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 175.20 1pkl s VAL 419 N 0.50 2.90 -0.21 2.92 1.01 0.72 -1.67 120.40 126.58 1pkl s VAL 419 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1pkl s VAL 419 Cb -0.16 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1pkl s VAL 419 CO 0.04 0.28 0.14 0.00 0.00 0.00 0.00 175.10 175.56 1pkl s VAL 421 N 0.50 3.68 0.23 0.00 1.01 -0.18 0.30 120.40 125.94 1pkl s VAL 421 Ca 0.08 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.33 1pkl s VAL 421 Cb -0.12 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1pkl s VAL 421 CO -0.00 0.07 -0.20 -0.89 0.00 0.00 0.00 175.10 174.07 1pkl s THR 422 N 1.44 2.26 -2.19 3.92 2.01 -0.78 -2.63 115.64 119.68 1pkl s THR 422 Ca 0.01 -2.20 0.23 0.00 0.31 0.00 0.00 61.69 60.04 1pkl s THR 422 Cb -0.17 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1pkl s THR 422 CO 0.01 -0.32 1.12 0.35 -0.69 0.00 0.00 174.62 175.09 1pkl n THR 423 N -0.18 0.00 -3.97 -0.82 -2.24 -1.26 -0.48 114.28 105.34 1pkl n THR 423 Ca -0.09 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 1pkl n THR 423 Cb 0.58 1.29 -0.13 0.00 -2.10 0.00 0.00 70.33 69.97 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 -2.40 3.54 0.40 -0.78 0.52 -1.26 -4.80 118.95 114.18 1pkl s ARG 424 Ca 0.20 -0.55 0.20 0.00 -0.52 0.00 0.00 55.73 55.06 1pkl s ARG 424 Cb 0.18 -3.10 0.83 0.00 0.52 0.00 0.00 34.95 33.39 1pkl s ARG 424 CO 0.53 -0.09 1.81 1.25 0.02 0.00 0.00 175.30 178.81 1pkl h LEU 425 N 7.83 0.00 -0.91 2.53 5.85 -1.94 -2.58 115.31 126.09 1pkl h LEU 425 Ca -0.38 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 1pkl h LEU 425 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1pkl h LEU 425 CO 0.60 0.32 -0.44 -0.61 -0.34 0.00 0.00 178.44 177.97 1pkl h GLN 426 N 0.00 0.00 -0.54 1.25 4.15 -1.96 -2.67 115.11 115.34 1pkl h GLN 426 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1pkl h GLN 426 Cb 0.76 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1pkl h GLN 426 CO 0.04 0.44 -0.13 1.15 -1.93 0.00 0.00 178.83 178.40 1pkl h THR 427 N 0.00 1.27 -0.84 2.39 2.02 -1.75 0.19 112.91 116.19 1pkl h THR 427 Ca -0.00 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.92 1pkl h THR 427 Cb 0.93 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 1pkl h THR 427 CO 0.06 0.45 0.55 0.00 0.37 0.00 0.00 175.52 176.95 1pkl h ARG 429 N 1.05 0.35 -0.07 0.00 3.08 -1.22 -3.33 114.38 114.24 1pkl h ARG 429 Ca 0.33 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1pkl h ARG 429 Cb 0.00 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1pkl h ARG 429 CO -0.09 1.11 -0.23 1.96 -1.07 0.00 0.00 179.97 181.65 1pkl h GLN 430 N -0.23 0.11 0.00 0.04 4.20 -0.38 -2.10 115.11 116.74 1pkl h GLN 430 Ca -0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1pkl h GLN 430 Cb 1.34 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1pkl h GLN 430 CO 0.12 0.34 0.00 1.28 -0.67 0.00 0.00 178.83 179.90 1pkl n LEU 431 N -4.22 0.00 0.06 1.46 4.77 -0.22 -2.98 117.00 115.85 1pkl n LEU 431 Ca -0.02 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.21 1pkl n LEU 431 Cb 0.31 -0.15 0.38 0.00 -2.33 0.00 0.00 43.42 41.63 1pkl n LEU 431 CO 0.38 -0.07 0.78 0.59 -1.33 0.00 0.00 177.39 177.74 1pkl n ASN 432 N -1.15 0.28 -0.84 -1.43 4.13 -0.79 -1.69 115.26 113.76 1pkl n ASN 432 Ca 0.11 0.57 0.09 0.00 1.68 0.00 0.00 54.58 57.03 1pkl n ASN 432 Cb 0.10 -0.63 0.14 0.00 -1.54 0.00 0.00 39.78 37.86 1pkl n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1pkl n ILE 433 N -1.81 0.41 -3.72 2.41 -5.35 -1.16 -4.80 119.36 105.34 1pkl n ILE 433 Ca 0.03 -0.71 -0.37 0.00 -0.27 0.00 0.00 62.75 61.44 1pkl n ILE 433 Cb 0.19 1.01 -0.11 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.29 4.82 0.43 7.28 2.01 -0.68 -4.51 115.64 123.70 1pkl s THR 434 Ca 0.27 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 1pkl s THR 434 Cb 0.17 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 1pkl s THR 434 CO 0.23 0.32 1.38 -1.58 -0.69 0.00 0.00 174.62 174.29 1pkl s GLN 435 N 1.45 3.84 -0.62 4.92 -0.44 -1.26 -3.75 119.66 123.80 1pkl s GLN 435 Ca 0.06 2.31 0.00 0.00 -2.50 0.00 0.00 55.36 55.24 1pkl s GLN 435 Cb -0.15 -2.72 0.00 0.00 -1.64 0.00 0.00 33.01 28.50 1pkl s GLN 435 CO 0.06 -0.66 0.00 0.41 0.50 0.00 0.00 175.29 175.60 1pkl n GLY 436 N 0.61 0.76 3.39 2.59 0.00 0.73 -4.94 105.19 108.33 1pkl n GLY 436 Ca 0.04 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.96 2.21 -0.03 1.61 1.01 -1.25 -2.26 120.40 119.72 1pkl s VAL 437 Ca 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.06 1pkl s VAL 437 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1pkl s VAL 437 CO 0.00 -0.08 0.07 -1.61 0.00 0.00 0.00 175.10 173.48 1pkl s GLU 438 N -2.45 0.04 -0.04 2.72 2.02 -0.67 -4.96 118.70 115.35 1pkl s GLU 438 Ca 0.17 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 1pkl s GLU 438 Cb -0.08 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.00 1pkl s GLU 438 CO 0.08 -0.10 0.09 -1.12 0.02 0.00 0.00 175.26 174.23 1pkl s SER 439 N 0.66 5.85 -0.17 -0.19 0.01 -1.26 0.12 113.70 118.72 1pkl s SER 439 Ca -0.05 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.46 1pkl s SER 439 Cb -0.07 -1.75 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1pkl s SER 439 CO -0.02 0.32 -0.19 -0.69 0.41 0.00 0.00 173.24 173.07 1pkl s VAL 440 N -1.12 1.92 -0.06 3.43 1.01 0.15 -4.92 120.40 120.80 1pkl s VAL 440 Ca 0.20 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1pkl s VAL 440 Cb -0.12 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1pkl s VAL 440 CO 0.10 0.52 0.86 0.12 0.00 0.00 0.00 175.10 176.70 1pkl s PHE 441 N 1.30 3.58 -0.30 5.22 5.36 -1.26 -1.86 117.98 130.02 1pkl s PHE 441 Ca 0.04 1.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.44 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 -0.11 -0.03 0.02 0.12 -1.46 0.00 0.00 175.22 173.76 1pkl s PHE 442 N 1.19 3.23 -0.63 10.12 5.36 0.37 -4.95 117.98 132.68 1pkl s PHE 442 Ca 0.44 -1.68 -0.28 0.00 -0.96 0.00 0.00 56.93 54.46 1pkl s PHE 442 Cb -0.19 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1pkl s PHE 442 CO 0.21 -0.76 1.27 0.34 -1.46 0.00 0.00 175.22 174.82 1pkl s ASP 443 N 1.31 6.28 0.52 6.13 -1.08 -1.26 -4.22 116.67 124.35 1pkl s ASP 443 Ca -0.03 -0.04 0.33 0.00 -0.52 0.00 0.00 52.55 52.28 1pkl s ASP 443 Cb -0.19 -2.55 1.31 0.00 -1.46 0.00 0.00 42.92 40.03 1pkl s ASP 443 CO -0.00 -1.65 1.95 0.00 0.52 0.00 0.00 175.17 175.98 1pkl h ALA 444 N 10.05 1.00 0.07 3.66 0.00 -1.87 0.07 119.26 132.24 1pkl h ALA 444 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1pkl h ALA 444 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1pkl h ALA 444 CO 1.22 0.00 -1.56 -0.44 0.00 0.00 0.00 179.25 178.47 1pkl h ASP 445 N 0.00 0.22 0.42 0.00 3.32 -1.90 -2.86 116.42 115.62 1pkl h ASP 445 Ca 0.00 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 1pkl h ASP 445 Cb 0.51 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1pkl h ASP 445 CO 0.00 1.30 -1.58 0.29 -1.72 0.00 0.00 179.24 177.53 1pkl n LYS 446 N -3.32 0.64 0.00 3.56 5.02 -1.15 -4.44 118.16 118.46 1pkl n LYS 446 Ca -0.16 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1pkl n LYS 446 Cb 1.03 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1pkl n LYS 446 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pkl n LEU 447 N -2.44 1.65 0.00 -0.35 4.77 0.00 -5.09 117.00 115.55 1pkl n LEU 447 Ca -0.02 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1pkl n LEU 447 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1pkl n LEU 447 CO 0.43 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1pkl n GLY 448 N -0.39 -1.04 0.11 -0.72 0.00 -1.08 -4.63 105.19 97.45 1pkl n GLY 448 Ca 0.00 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.50 1pkl n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pkl n HIS 449 N -0.92 0.60 -3.93 1.61 8.25 -1.24 -4.39 115.22 115.21 1pkl n HIS 449 Ca 0.00 0.27 -0.35 0.00 -0.26 0.00 0.00 57.72 57.38 1pkl n HIS 449 Cb 0.00 -0.94 0.01 0.00 1.12 0.00 0.00 29.99 30.18 1pkl n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pkl n ASP 450 N -2.08 -3.20 -4.56 0.41 2.03 -1.26 -4.83 116.55 103.06 1pkl n ASP 450 Ca 0.01 -1.13 -0.40 0.00 0.52 0.00 0.00 54.79 53.78 1pkl n ASP 450 Cb 0.12 -2.59 -0.03 0.00 -0.72 0.00 0.00 41.12 37.90 1pkl n ASP 450 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1pkl s GLU 451 N -6.71 3.42 0.00 -0.67 2.56 -1.26 -2.14 118.70 113.90 1pkl s GLU 451 Ca 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 54.97 54.44 1pkl s GLU 451 Cb -0.15 -5.10 0.00 0.00 2.00 0.00 0.00 34.13 30.89 1pkl s GLU 451 CO 0.92 -2.29 0.00 0.41 -0.56 0.00 0.00 175.26 173.73 1pkl n GLY 452 N 6.58 0.12 4.24 -1.50 0.00 -1.26 -4.97 105.19 108.40 1pkl n GLY 452 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 -0.32 1.61 5.02 -0.91 -4.81 118.16 118.75 1pkl n LYS 453 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1pkl n LYS 453 Cb 0.00 -3.76 0.12 0.00 -0.02 0.00 0.00 35.03 31.37 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 1.22 -0.73 1.97 4.39 -1.93 -1.89 114.58 117.61 1pkl h GLU 454 Ca 0.00 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1pkl h GLU 454 Cb 0.00 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.37 1pkl h GLU 454 CO 0.00 0.87 0.33 0.45 -1.16 0.00 0.00 179.01 179.50 1pkl h HIS 455 N 1.24 1.06 -0.44 4.33 3.86 -1.92 -0.09 115.15 123.19 1pkl h HIS 455 Ca 0.32 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.36 1pkl h HIS 455 Cb -0.03 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 1pkl h HIS 455 CO 0.01 0.78 -0.18 0.00 0.86 0.00 0.00 177.93 179.39 1pkl h ARG 456 N 1.04 0.89 -0.54 2.45 3.08 -1.83 -0.87 114.38 118.61 1pkl h ARG 456 Ca 0.25 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1pkl h ARG 456 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1pkl h ARG 456 CO -0.03 1.03 0.25 0.28 -1.07 0.00 0.00 179.97 180.43 1pkl h VAL 457 N 0.72 1.20 -0.81 2.04 2.07 -0.92 -1.05 116.25 119.51 1pkl h VAL 457 Ca 0.10 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1pkl h VAL 457 Cb 0.75 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1pkl h VAL 457 CO 0.06 0.23 0.48 0.00 0.02 0.00 0.00 177.57 178.37 1pkl h ALA 458 N 1.09 1.03 -0.39 1.67 0.00 -0.85 -0.83 119.26 120.98 1pkl h ALA 458 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pkl h ALA 458 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pkl h ALA 458 CO -0.02 0.50 0.21 0.00 0.00 0.00 0.00 179.25 179.94 1pkl h ALA 459 N 1.26 0.50 -0.76 0.00 0.00 -0.73 0.12 119.26 119.65 1pkl h ALA 459 Ca 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1pkl h ALA 459 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1pkl h ALA 459 CO -0.05 0.04 0.28 0.78 0.00 0.00 0.00 179.25 180.30 1pkl h GLY 460 N 0.50 1.24 1.09 0.00 0.00 -0.79 -1.63 103.07 103.48 1pkl h GLY 460 Ca 0.14 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 1pkl h GLY 460 CO -0.02 0.65 -0.38 -2.08 0.00 0.00 0.00 176.54 174.71 1pkl h VAL 461 N 1.11 1.28 -0.58 4.60 2.07 -0.89 -2.03 116.25 121.81 1pkl h VAL 461 Ca 0.25 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1pkl h VAL 461 Cb 0.24 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1pkl h VAL 461 CO -0.02 0.51 0.26 -0.08 0.02 0.00 0.00 177.57 178.26 1pkl h GLU 462 N 0.68 0.83 -0.34 1.57 4.57 -0.58 0.08 114.58 121.39 1pkl h GLU 462 Ca 0.05 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1pkl h GLU 462 Cb 0.97 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1pkl h GLU 462 CO 0.09 0.66 -0.01 0.35 -1.18 0.00 0.00 179.01 178.92 1pkl h PHE 463 N 0.82 0.67 -0.82 0.92 3.57 -1.17 0.27 116.94 121.21 1pkl h PHE 463 Ca 0.20 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1pkl h PHE 463 Cb 0.12 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1pkl h PHE 463 CO 0.01 0.73 0.45 0.00 -2.23 0.00 0.00 178.31 177.28 1pkl h ALA 464 N 0.85 1.26 -0.06 2.41 0.00 -0.84 -1.12 119.26 121.76 1pkl h ALA 464 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1pkl h ALA 464 Cb 0.48 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pkl h ALA 464 CO 0.02 0.60 -0.05 0.87 0.00 0.00 0.00 179.25 180.69 1pkl h LYS 465 N 1.14 0.15 -0.54 0.00 1.57 -0.77 0.74 116.57 118.86 1pkl h LYS 465 Ca 0.29 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.10 1pkl h LYS 465 Cb 0.01 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.22 1pkl h LYS 465 CO -0.05 0.57 -0.21 0.66 -0.57 0.00 0.00 179.45 179.85 1pkl h SER 466 N -0.28 -0.74 0.62 0.86 4.64 -0.03 0.12 113.55 118.74 1pkl h SER 466 Ca 0.01 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pkl h SER 466 Cb 0.54 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1pkl h SER 466 CO 0.01 -0.24 0.00 0.29 -0.87 0.00 0.00 176.83 176.02 1pkl n LYS 467 N -5.42 0.05 -0.85 4.77 4.76 -0.46 -4.89 118.16 116.12 1pkl n LYS 467 Ca 0.05 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1pkl n LYS 467 Cb 0.32 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.49 0.55 0.11 0.72 0.00 0.43 -4.97 105.19 102.52 1pkl n GLY 468 Ca 0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 0.39 -4.28 1.61 0.05 -1.06 -3.46 116.97 110.22 1pkl h TYR 469 Ca 0.00 -0.24 -0.55 0.00 0.05 0.00 0.00 58.73 57.99 1pkl h TYR 469 Cb 0.08 -0.04 -0.28 0.00 1.01 0.00 0.00 36.73 37.50 1pkl h TYR 469 CO 0.00 1.09 -0.84 0.14 -1.05 0.00 0.00 178.16 177.51 1pkl s VAL 470 N -2.88 1.45 0.42 -2.88 -7.23 -1.18 -4.80 120.40 103.29 1pkl s VAL 470 Ca -0.15 -0.88 0.07 0.00 -1.81 0.00 0.00 61.98 59.21 1pkl s VAL 470 Cb 0.01 -1.22 -0.06 0.00 0.56 0.00 0.00 36.38 35.67 1pkl s VAL 470 CO 0.78 0.33 0.11 -1.10 -0.31 0.00 0.00 175.10 174.91 1pkl s GLN 471 N -0.63 2.11 0.19 4.82 -0.21 -1.26 -4.19 119.66 120.48 1pkl s GLN 471 Ca 0.07 -1.98 -0.33 0.00 0.02 0.00 0.00 55.36 53.14 1pkl s GLN 471 Cb -0.07 -1.82 -0.13 0.00 1.00 0.00 0.00 33.01 31.99 1pkl s GLN 471 CO -0.00 -0.11 1.67 0.25 -2.12 0.00 0.00 175.29 174.98 1pkl n THR 472 N -1.14 0.01 0.00 -0.19 -2.24 -1.26 -1.51 114.28 107.95 1pkl n THR 472 Ca -0.03 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1pkl n THR 472 Cb 0.66 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 1pkl n THR 472 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkl n GLY 473 N 3.75 2.22 3.73 3.38 0.00 0.50 -5.00 105.19 113.76 1pkl n GLY 473 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.05 3.76 -0.15 1.61 1.01 -0.57 -4.67 116.67 117.61 1pkl s ASP 474 Ca 0.00 1.68 -0.07 0.00 0.71 0.00 0.00 52.55 54.87 1pkl s ASP 474 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1pkl s ASP 474 CO 0.00 -2.49 0.10 -0.31 0.21 0.00 0.00 175.17 172.68 1pkl s TYR 475 N -2.88 3.42 -0.08 4.23 2.02 -1.26 -0.92 117.35 121.87 1pkl s TYR 475 Ca 0.63 0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1pkl s TYR 475 Cb -0.18 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1pkl s TYR 475 CO 0.57 0.45 -0.05 0.00 -1.57 0.00 0.00 175.55 174.95 1pkl s VAL 477 N 1.50 5.04 -0.01 0.00 1.01 -0.93 -1.03 120.40 125.99 1pkl s VAL 477 Ca -0.01 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1pkl s VAL 477 Cb -0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1pkl s VAL 477 CO -0.04 0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.47 1pkl s VAL 478 N 1.66 3.82 0.14 2.92 1.01 0.73 -0.44 120.40 130.23 1pkl s VAL 478 Ca 0.29 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1pkl s VAL 478 Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1pkl s VAL 478 CO 0.11 0.41 0.05 -0.63 0.00 0.00 0.00 175.10 175.05 1pkl s ILE 479 N -1.00 0.17 -0.30 2.22 1.01 -0.11 -1.25 121.20 121.94 1pkl s ILE 479 Ca 0.17 -1.92 -0.06 0.00 0.00 0.00 0.00 60.65 58.84 1pkl s ILE 479 Cb -0.11 -2.06 0.16 0.00 0.01 0.00 0.00 42.46 40.46 1pkl s ILE 479 CO 0.08 -0.46 0.64 -2.28 0.00 0.00 0.00 174.94 172.91 1pkl s HIS 480 N -4.00 -1.45 -0.17 3.97 5.65 -0.81 -1.86 115.29 116.61 1pkl s HIS 480 Ca 0.24 2.01 -0.09 0.00 0.25 0.00 0.00 55.06 57.47 1pkl s HIS 480 Cb 0.07 0.69 -0.07 0.00 -1.18 0.00 0.00 32.58 32.09 1pkl s HIS 480 CO 0.02 -0.76 -0.23 0.00 -0.65 0.00 0.00 174.74 173.13 1pkl n ALA 481 N 5.43 1.85 -0.56 1.58 0.00 -1.26 -0.93 120.51 126.61 1pkl n ALA 481 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1pkl n ALA 481 Cb 0.50 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.21 1pkl n ALA 481 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pkl n ASP 482 N -3.81 0.00 -3.52 0.00 2.03 -1.26 -4.22 116.55 105.76 1pkl n ASP 482 Ca -0.33 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.69 1pkl n ASP 482 Cb 0.72 -0.08 -0.13 0.00 -0.72 0.00 0.00 41.12 40.90 1pkl n ASP 482 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1pkl s HIS 483 N -0.44 0.66 -0.07 -0.67 3.76 -1.26 -4.57 115.29 112.71 1pkl s HIS 483 Ca 0.00 -1.36 0.17 0.00 -0.15 0.00 0.00 55.06 53.72 1pkl s HIS 483 Cb 0.00 -1.00 0.34 0.00 1.11 0.00 0.00 32.58 33.03 1pkl s HIS 483 CO 0.00 -0.83 1.15 0.00 -0.85 0.00 0.00 174.74 174.21 1pkl n ALA 489 N 4.57 2.63 0.00 -1.40 0.00 -1.26 -4.97 120.51 120.08 1pkl n ALA 489 Ca 0.04 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1pkl n ALA 489 Cb 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.19 0.00 -3.65 0.00 2.85 -1.26 -4.80 115.26 108.21 1pkl n ASN 490 Ca 0.09 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.53 1pkl n ASN 490 Cb 0.91 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.86 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 -0.01 0.11 -0.01 1.20 0.74 -0.11 -4.97 119.66 116.61 1pkl s GLN 491 Ca 0.00 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1pkl s GLN 491 Cb 0.00 0.05 0.01 0.00 1.10 0.00 0.00 33.01 34.17 1pkl s GLN 491 CO 0.00 -0.01 -0.00 0.99 -0.55 0.00 0.00 175.29 175.72 1pkl s THR 492 N 0.05 0.09 0.02 -0.34 2.01 -1.26 -1.93 115.64 114.29 1pkl s THR 492 Ca 0.07 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1pkl s THR 492 Cb -0.05 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1pkl s THR 492 CO -0.15 0.07 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.66 1pkl s ARG 493 N 0.41 0.44 -0.35 4.92 0.52 -0.38 -4.99 118.95 119.52 1pkl s ARG 493 Ca -0.04 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1pkl s ARG 493 Cb -0.06 -0.26 0.08 0.00 0.52 0.00 0.00 34.95 35.24 1pkl s ARG 493 CO -0.01 0.05 0.08 0.42 0.02 0.00 0.00 175.30 175.86 1pkl s ILE 494 N -0.97 2.93 0.15 1.52 1.01 -1.26 -0.19 121.20 124.39 1pkl s ILE 494 Ca -0.07 -1.83 -0.07 0.00 0.00 0.00 0.00 60.65 58.69 1pkl s ILE 494 Cb -0.07 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 1pkl s ILE 494 CO 0.00 -0.41 0.42 -0.76 0.00 0.00 0.00 174.94 174.18 1pkl s LEU 495 N 1.14 4.25 -0.43 2.97 1.43 -0.19 -4.94 118.68 122.91 1pkl s LEU 495 Ca 0.03 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 1pkl s LEU 495 Cb -0.21 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1pkl s LEU 495 CO -0.04 0.04 0.34 -0.22 0.23 0.00 0.00 176.35 176.70 1pkl s LEU 496 N -2.59 5.23 0.15 1.79 2.96 -1.26 -1.32 118.68 123.63 1pkl s LEU 496 Ca 0.41 -1.00 -0.31 0.00 -0.22 0.00 0.00 54.13 53.01 1pkl s LEU 496 Cb -0.12 -2.18 -0.10 0.00 0.50 0.00 0.00 46.19 44.29 1pkl s LEU 496 CO 0.23 -0.51 1.62 -0.69 -1.32 0.00 0.00 176.35 175.68 1pkl s VAL 497 N 1.70 2.62 -2.97 1.68 1.01 -0.09 -4.89 120.40 119.47 1pkl s VAL 497 Ca 0.05 0.37 0.24 0.00 0.00 0.00 0.00 61.98 62.64 1pkl s VAL 497 Cb -0.20 -3.24 0.21 0.00 0.00 0.00 0.00 36.38 33.15 1pkl s VAL 497 CO 0.09 0.02 1.29 -0.62 0.00 0.00 0.00 175.10 175.89