#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 0.61 -0.95 4.33 5.75 -1.99 -3.02 115.11 119.84 1pkl h GLN 2 Ca 0.00 -0.59 0.14 0.00 -0.15 0.00 0.00 58.65 58.05 1pkl h GLN 2 Cb 0.00 0.15 -0.09 0.00 1.07 0.00 0.00 27.48 28.61 1pkl h GLN 2 CO 0.00 1.20 0.57 1.25 -2.65 0.00 0.00 178.83 179.20 1pkl h LEU 3 N 0.23 0.79 -0.62 -2.39 6.46 -2.01 0.30 115.31 118.07 1pkl h LEU 3 Ca -0.08 0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.59 1pkl h LEU 3 Cb 1.44 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1pkl h LEU 3 CO 0.15 0.38 -0.62 0.00 -0.62 0.00 0.00 178.44 177.74 1pkl h ALA 4 N 1.55 0.82 -0.16 1.25 0.00 -2.02 -3.13 119.26 117.57 1pkl h ALA 4 Ca 0.49 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1pkl h ALA 4 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pkl h ALA 4 CO -0.30 0.74 -0.63 1.25 0.00 0.00 0.00 179.25 180.30 1pkl h HIS 5 N 0.18 0.74 -0.14 0.00 -0.00 -0.88 -3.14 115.15 111.92 1pkl h HIS 5 Ca -0.01 -0.29 -0.01 0.00 -0.00 0.00 0.00 60.37 60.06 1pkl h HIS 5 Cb 1.13 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1pkl h HIS 5 CO 0.02 1.05 0.02 -0.91 -0.00 0.00 0.00 177.93 178.12 1pkl h ASN 6 N 0.42 0.18 0.02 3.26 2.35 -0.46 -2.49 115.58 118.86 1pkl h ASN 6 Ca -0.01 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1pkl h ASN 6 Cb 1.20 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1pkl h ASN 6 CO 0.12 0.20 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.91 1pkl h LEU 7 N 0.20 0.22 0.00 1.61 3.38 -1.50 -2.88 115.31 116.33 1pkl h LEU 7 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pkl h LEU 7 Cb 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pkl h LEU 7 CO -0.00 0.37 -0.44 0.35 0.09 0.00 0.00 178.44 178.81 1pkl n THR 8 N -4.29 0.09 -1.60 0.22 -2.24 -0.94 -4.95 114.28 100.57 1pkl n THR 8 Ca -0.01 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 1pkl n THR 8 Cb 0.26 0.03 0.06 0.00 -2.10 0.00 0.00 70.33 68.58 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 -3.30 2.91 -0.15 3.22 1.43 -1.09 -5.09 118.68 116.60 1pkl s LEU 9 Ca 0.10 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 54.55 1pkl s LEU 9 Cb 0.17 -4.22 0.05 0.00 0.03 0.00 0.00 46.19 42.22 1pkl s LEU 9 CO 0.67 -1.62 0.39 -0.55 0.23 0.00 0.00 176.35 175.47 1pkl s SER 10 N -3.90 -0.45 0.00 2.29 0.15 -1.26 -5.03 113.70 105.50 1pkl s SER 10 Ca 0.59 0.82 0.16 0.00 0.70 0.00 0.00 55.95 58.21 1pkl s SER 10 Cb -0.14 0.74 0.91 0.00 -1.71 0.00 0.00 66.02 65.83 1pkl s SER 10 CO 0.54 -0.17 1.59 2.30 1.20 0.00 0.00 173.24 178.71 1pkl n ILE 11 N 3.79 0.02 0.28 6.45 -5.35 -1.26 -2.98 119.36 120.30 1pkl n ILE 11 Ca -0.20 -0.02 0.07 0.00 -0.27 0.00 0.00 62.75 62.33 1pkl n ILE 11 Cb 0.56 -0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.15 1pkl n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1pkl n PHE 12 N -0.67 0.00 -2.07 4.28 3.72 -1.26 -4.97 117.46 116.48 1pkl n PHE 12 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1pkl n PHE 12 Cb 0.07 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1pkl n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pkl s ASP 13 N -3.21 6.72 0.06 4.37 1.11 -1.16 -4.91 116.67 119.64 1pkl s ASP 13 Ca -0.01 2.68 -0.31 0.00 0.18 0.00 0.00 52.55 55.09 1pkl s ASP 13 Cb 0.10 -2.64 -0.08 0.00 1.07 0.00 0.00 42.92 41.37 1pkl s ASP 13 CO 0.62 -0.61 1.67 -2.16 1.18 0.00 0.00 175.17 175.88 1pkl s PRO 14 N -1.22 4.19 0.30 8.23 0.04 -1.26 -4.94 135.00 140.34 1pkl s PRO 14 Ca 0.53 2.33 -0.28 0.00 0.04 0.00 0.00 61.00 63.62 1pkl s PRO 14 Cb -0.41 -3.66 -0.09 0.00 0.04 0.00 0.00 34.50 30.38 1pkl s PRO 14 CO 0.49 -0.76 1.10 0.14 0.04 0.00 0.00 177.00 178.01 1pkl s VAL 15 N 2.84 3.49 0.33 -0.36 -7.23 -1.26 -4.98 120.40 113.23 1pkl s VAL 15 Ca 0.75 1.43 -0.29 0.00 -1.81 0.00 0.00 61.98 62.06 1pkl s VAL 15 Cb -0.39 -3.89 -0.12 0.00 0.56 0.00 0.00 36.38 32.54 1pkl s VAL 15 CO 0.32 0.29 1.49 0.00 -0.31 0.00 0.00 175.10 176.90 1pkl n ALA 16 N 0.94 2.18 -2.24 1.32 0.00 -1.26 -4.87 120.51 116.58 1pkl n ALA 16 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1pkl n ALA 16 Cb 0.46 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1pkl n ALA 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pkl n ASN 17 N 1.30 5.19 -3.67 0.00 5.15 -1.26 -4.83 115.26 117.14 1pkl n ASN 17 Ca 0.05 -3.08 -0.09 0.00 -0.60 0.00 0.00 54.58 50.86 1pkl n ASN 17 Cb 0.37 -1.49 -0.09 0.00 -0.53 0.00 0.00 39.78 38.04 1pkl n ASN 17 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1pkl s TYR 18 N 0.55 -0.79 -0.22 1.20 5.04 -1.26 -5.13 117.35 116.74 1pkl s TYR 18 Ca 0.41 1.55 -0.04 0.00 -2.44 0.00 0.00 57.07 56.55 1pkl s TYR 18 Cb 0.11 0.35 -0.01 0.00 0.35 0.00 0.00 41.96 42.76 1pkl s TYR 18 CO -0.01 -0.45 -0.04 0.50 -1.34 0.00 0.00 175.55 174.21 1pkl s ARG 19 N 2.11 3.39 -0.04 4.97 3.52 -1.26 -4.90 118.95 126.74 1pkl s ARG 19 Ca -0.06 -0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 54.83 1pkl s ARG 19 Cb -0.10 -3.00 -0.30 0.00 -1.56 0.00 0.00 34.95 29.99 1pkl s ARG 19 CO -0.14 -0.18 0.71 0.00 -0.81 0.00 0.00 175.30 174.88 1pkl h ALA 20 N 8.06 0.19 -2.70 6.12 0.00 -1.95 -3.44 119.26 125.53 1pkl h ALA 20 Ca -0.41 -1.14 -0.52 0.00 0.00 0.00 0.00 54.91 52.84 1pkl h ALA 20 Cb 1.16 0.42 0.11 0.00 0.00 0.00 0.00 17.79 19.48 1pkl h ALA 20 CO 0.60 1.05 0.43 0.00 0.00 0.00 0.00 179.25 181.34 1pkl s ALA 21 N -2.59 2.49 0.06 0.00 0.00 -1.26 0.02 121.76 120.48 1pkl s ALA 21 Ca -0.14 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1pkl s ALA 21 Cb 0.06 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1pkl s ALA 21 CO 0.85 -1.23 -0.08 1.03 0.00 0.00 0.00 175.76 176.34 1pkl s ARG 22 N -3.55 2.35 -0.15 0.00 1.81 -0.54 -4.88 118.95 113.98 1pkl s ARG 22 Ca 0.74 -0.88 -0.02 0.00 -1.72 0.00 0.00 55.73 53.85 1pkl s ARG 22 Cb -0.27 -2.41 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 1pkl s ARG 22 CO 0.35 0.55 -0.07 0.42 -0.68 0.00 0.00 175.30 175.87 1pkl s ILE 23 N -1.13 3.55 -0.18 1.52 1.01 -1.26 -1.19 121.20 123.52 1pkl s ILE 23 Ca 0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 1pkl s ILE 23 Cb -0.11 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1pkl s ILE 23 CO 0.12 0.50 -0.01 -0.63 0.00 0.00 0.00 174.94 174.91 1pkl s ILE 24 N 0.48 3.93 -0.07 2.92 1.01 -0.66 -1.08 121.20 127.73 1pkl s ILE 24 Ca -0.05 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1pkl s ILE 24 Cb -0.15 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 1pkl s ILE 24 CO 0.03 0.45 -0.21 0.00 0.00 0.00 0.00 174.94 175.22 1pkl s THR 26 N -0.14 4.88 0.23 0.00 2.01 -0.35 -0.54 115.64 121.74 1pkl s THR 26 Ca -0.03 1.61 -0.26 0.00 0.31 0.00 0.00 61.69 63.32 1pkl s THR 26 Cb -0.14 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1pkl s THR 26 CO 0.04 0.03 0.85 -0.63 -0.69 0.00 0.00 174.62 174.22 1pkl s ILE 27 N 2.17 4.28 0.00 1.82 -1.09 -0.49 -2.38 121.20 125.51 1pkl s ILE 27 Ca 0.38 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 1pkl s ILE 27 Cb -0.16 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1pkl s ILE 27 CO 0.12 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1pkl n GLY 28 N 1.18 2.95 0.26 6.18 0.00 -1.25 -4.73 105.19 109.77 1pkl n GLY 28 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 0.47 0.00 1.61 0.11 -1.73 0.13 132.00 132.59 1pkl h PRO 29 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1pkl h PRO 29 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1pkl h PRO 29 CO 0.00 0.31 0.00 0.43 -0.21 0.00 0.00 178.00 178.53 1pkl n SER 30 N -4.95 0.54 -0.33 -2.05 7.64 -0.86 -4.12 113.62 109.49 1pkl n SER 30 Ca 0.11 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1pkl n SER 30 Cb 0.31 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1pkl n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pkl n THR 31 N -2.07 0.02 0.07 0.44 -2.24 -0.56 -4.90 114.28 105.04 1pkl n THR 31 Ca 0.03 -0.03 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1pkl n THR 31 Cb 0.26 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.06 1pkl n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pkl h GLN 32 N 0.00 0.00 -7.15 -0.78 4.15 -0.95 -3.35 115.11 107.04 1pkl h GLN 32 Ca 0.00 -0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.87 1pkl h GLN 32 Cb 1.26 0.00 0.16 0.00 0.21 0.00 0.00 27.48 29.11 1pkl h GLN 32 CO 0.00 0.96 0.43 -1.54 -1.93 0.00 0.00 178.83 176.75 1pkl s SER 33 N -6.73 4.32 0.26 -0.69 1.04 -1.26 -4.79 113.70 105.84 1pkl s SER 33 Ca 0.01 2.45 -0.03 0.00 0.48 0.00 0.00 55.95 58.86 1pkl s SER 33 Cb 0.10 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 64.08 1pkl s SER 33 CO 0.81 -2.19 1.80 0.58 0.98 0.00 0.00 173.24 175.23 1pkl h VAL 34 N -0.01 0.85 -0.55 5.02 2.07 -1.90 -0.90 116.25 120.83 1pkl h VAL 34 Ca -0.49 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 1pkl h VAL 34 Cb 1.31 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1pkl h VAL 34 CO 0.51 0.14 -0.07 -0.33 0.02 0.00 0.00 177.57 177.84 1pkl h GLU 35 N 0.76 1.02 -0.29 1.57 4.39 -1.95 -1.74 114.58 118.34 1pkl h GLU 35 Ca 0.43 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1pkl h GLU 35 Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1pkl h GLU 35 CO -0.29 1.04 -0.22 0.00 -1.16 0.00 0.00 179.01 178.39 1pkl h ALA 36 N 0.94 1.08 -0.42 3.43 0.00 -1.70 -2.37 119.26 120.22 1pkl h ALA 36 Ca 0.15 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1pkl h ALA 36 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pkl h ALA 36 CO 0.04 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.50 1pkl h LEU 37 N 0.49 0.99 -0.98 0.00 3.38 -0.89 -1.86 115.31 116.43 1pkl h LEU 37 Ca 0.08 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1pkl h LEU 37 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1pkl h LEU 37 CO 0.05 1.20 0.20 0.11 0.09 0.00 0.00 178.44 180.09 1pkl h LYS 38 N 0.77 0.94 -0.36 1.13 1.57 -1.15 0.37 116.57 119.84 1pkl h LYS 38 Ca 0.08 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1pkl h LYS 38 Cb 0.87 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1pkl h LYS 38 CO 0.08 0.80 -0.07 0.78 -0.57 0.00 0.00 179.45 180.47 1pkl h GLY 39 N 1.02 0.65 1.07 3.86 0.00 -1.22 0.13 103.07 108.58 1pkl h GLY 39 Ca 0.21 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1pkl h GLY 39 CO -0.01 0.41 -0.24 -2.00 0.00 0.00 0.00 176.54 174.70 1pkl h LEU 40 N 0.56 0.95 -0.34 3.11 5.85 -0.42 -1.22 115.31 123.79 1pkl h LEU 40 Ca 0.11 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1pkl h LEU 40 Cb 0.46 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1pkl h LEU 40 CO 0.02 1.15 0.06 0.40 -0.34 0.00 0.00 178.44 179.74 1pkl h ILE 41 N 0.74 1.23 0.00 4.05 2.04 -0.38 -1.63 117.51 123.56 1pkl h ILE 41 Ca 0.09 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1pkl h ILE 41 Cb 0.82 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1pkl h ILE 41 CO 0.07 0.27 0.00 1.56 0.00 0.00 0.00 178.15 180.05 1pkl h GLN 42 N 0.40 0.00 0.00 2.37 4.20 -0.65 -2.35 115.11 119.09 1pkl h GLN 42 Ca 0.10 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1pkl h GLN 42 Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1pkl h GLN 42 CO 0.01 0.00 -0.89 0.77 -0.67 0.00 0.00 178.83 178.04 1pkl h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.75 -3.48 113.55 110.80 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 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1pkl h SER 43 CO 0.00 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 1pkl n GLY 44 N 1.26 -0.73 3.73 -3.77 0.00 -0.84 -3.90 105.19 100.93 1pkl n GLY 44 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 4.48 -0.06 1.61 0.00 -0.67 -4.29 119.30 120.37 1pkl s MET 45 Ca 0.00 1.81 0.06 0.00 0.00 0.00 0.00 55.69 57.56 1pkl s MET 45 Cb 0.00 -3.29 -0.08 0.00 0.00 0.00 0.00 34.83 31.46 1pkl s MET 45 CO 0.00 -0.14 0.03 0.43 0.00 0.00 0.00 175.02 175.34 1pkl n SER 46 N 3.11 3.41 -4.04 1.11 7.64 -0.24 -4.67 113.62 119.95 1pkl n SER 46 Ca 0.06 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.72 1pkl n SER 46 Cb 0.45 0.72 -0.16 0.00 -1.01 0.00 0.00 64.21 64.22 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 0.94 -0.33 0.44 1.01 -1.11 -2.06 120.40 117.10 1pkl s VAL 47 Ca -0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1pkl s VAL 47 Cb 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1pkl s VAL 47 CO 0.27 0.29 0.17 0.00 0.00 0.00 0.00 175.10 175.82 1pkl s ALA 48 N 0.14 3.29 -0.15 5.51 0.00 -0.13 -0.84 121.76 129.57 1pkl s ALA 48 Ca -0.03 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 1pkl s ALA 48 Cb -0.09 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1pkl s ALA 48 CO 0.01 -1.05 0.28 0.50 0.00 0.00 0.00 175.76 175.50 1pkl s ARG 49 N 1.60 4.18 -0.35 0.00 3.52 0.30 -1.23 118.95 126.97 1pkl s ARG 49 Ca 0.04 0.08 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 1pkl s ARG 49 Cb -0.18 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1pkl s ARG 49 CO 0.07 0.31 0.14 -1.64 -0.81 0.00 0.00 175.30 173.36 1pkl s MET 50 N 0.26 2.70 -0.73 5.12 -1.94 -0.01 -1.39 119.30 123.32 1pkl s MET 50 Ca 0.16 -1.14 -0.27 0.00 -1.71 0.00 0.00 55.69 52.74 1pkl s MET 50 Cb -0.13 -3.54 0.03 0.00 2.01 0.00 0.00 34.83 33.20 1pkl s MET 50 CO 0.04 -0.67 1.27 1.21 -0.01 0.00 0.00 175.02 176.86 1pkl s ASN 51 N 1.45 6.18 0.00 3.03 3.84 -1.26 -0.16 114.94 128.02 1pkl s ASN 51 Ca -0.00 -0.43 0.14 0.00 0.21 0.00 0.00 52.86 52.77 1pkl s ASN 51 Cb -0.19 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 38.77 1pkl s ASN 51 CO 0.04 -1.81 1.38 0.49 -2.79 0.00 0.00 177.10 174.41 1pkl n PHE 52 N 9.29 0.00 1.33 0.43 3.01 -0.02 -3.22 117.46 128.28 1pkl n PHE 52 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1pkl n PHE 52 Cb 0.49 0.00 0.71 0.00 -0.01 0.00 0.00 39.48 40.67 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 -0.77 0.00 -3.99 4.37 3.41 -1.26 -4.60 113.62 110.78 1pkl n SER 53 Ca 0.10 -0.12 -0.08 0.00 -0.26 0.00 0.00 58.87 58.51 1pkl n SER 53 Cb 0.05 -0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.57 0.40 0.00 7.33 3.76 -1.20 -5.05 115.29 117.96 1pkl s HIS 54 Ca 0.27 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1pkl s HIS 54 Cb 0.19 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.64 1pkl s HIS 54 CO 0.43 -0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 1pkl n GLY 55 N -0.01 -2.27 4.00 -2.22 0.00 -1.26 -4.89 105.19 98.54 1pkl n GLY 55 Ca -0.13 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.37 5.45 0.44 1.61 1.04 -1.26 -4.96 113.70 112.64 1pkl s SER 56 Ca 0.00 -0.57 0.10 0.00 0.48 0.00 0.00 55.95 55.96 1pkl s SER 56 Cb 0.00 -0.43 0.96 0.00 0.10 0.00 0.00 66.02 66.66 1pkl s SER 56 CO 0.00 -0.88 2.07 0.45 0.98 0.00 0.00 173.24 175.87 1pkl h HIS 57 N 0.59 0.36 -0.11 5.02 -0.00 -1.99 -1.04 115.15 117.98 1pkl h HIS 57 Ca -0.38 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.86 1pkl h HIS 57 Cb 1.28 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 1pkl h HIS 57 CO 0.43 0.24 -0.52 1.49 -0.00 0.00 0.00 177.93 179.58 1pkl h GLU 58 N 0.38 0.30 -0.07 2.45 4.81 -1.99 -1.08 114.58 119.39 1pkl h GLU 58 Ca 0.10 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1pkl h GLU 58 Cb -0.01 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pkl h GLU 58 CO -0.02 0.75 0.01 -0.92 -0.73 0.00 0.00 179.01 178.10 1pkl h TYR 59 N 0.24 0.13 0.00 0.92 3.20 -1.61 -2.64 116.97 117.21 1pkl h TYR 59 Ca 0.01 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1pkl h TYR 59 Cb 0.99 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1pkl h TYR 59 CO 0.02 0.35 -0.34 0.45 -1.64 0.00 0.00 178.16 177.00 1pkl h HIS 60 N -0.13 0.00 -0.52 -3.82 3.86 -1.29 -2.64 115.15 110.61 1pkl h HIS 60 Ca 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1pkl h HIS 60 Cb 0.29 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1pkl h HIS 60 CO 0.02 0.34 -0.01 0.37 0.86 0.00 0.00 177.93 179.51 1pkl h GLN 61 N 0.00 0.88 -0.53 2.45 5.75 -1.07 -0.58 115.11 122.02 1pkl h GLN 61 Ca -0.00 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.19 1pkl h GLN 61 Cb 0.83 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1pkl h GLN 61 CO 0.04 0.89 0.13 1.15 -2.65 0.00 0.00 178.83 178.39 1pkl h THR 62 N 0.81 1.24 -0.41 2.39 2.02 -1.12 -0.81 112.91 117.03 1pkl h THR 62 Ca 0.15 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1pkl h THR 62 Cb 0.50 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1pkl h THR 62 CO 0.03 0.31 0.24 0.74 0.37 0.00 0.00 175.52 177.21 1pkl h THR 63 N 0.73 1.14 -0.30 3.16 2.02 -1.21 0.85 112.91 119.30 1pkl h THR 63 Ca 0.17 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1pkl h THR 63 Cb 0.33 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1pkl h THR 63 CO 0.00 0.14 0.14 0.40 0.37 0.00 0.00 175.52 176.58 1pkl h ILE 64 N 0.54 0.98 -0.47 3.11 2.04 -0.86 0.60 117.51 123.46 1pkl h ILE 64 Ca 0.15 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 1pkl h ILE 64 Cb 0.02 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1pkl h ILE 64 CO -0.03 0.05 -0.25 0.78 0.00 0.00 0.00 178.15 178.71 1pkl h ASN 65 N 0.30 1.03 0.07 1.72 2.35 -0.90 -2.02 115.58 118.14 1pkl h ASN 65 Ca 0.12 -0.41 -0.13 0.00 -0.55 0.00 0.00 56.30 55.33 1pkl h ASN 65 Cb 0.05 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1pkl h ASN 65 CO -0.09 1.21 -0.46 0.78 -1.65 0.00 0.00 177.43 177.22 1pkl h ASN 66 N 0.85 0.50 -0.04 5.81 2.35 -0.64 -1.51 115.58 122.89 1pkl h ASN 66 Ca 0.10 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1pkl h ASN 66 Cb 0.83 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1pkl h ASN 66 CO 0.07 0.89 -0.02 0.58 -1.65 0.00 0.00 177.43 177.30 1pkl h VAL 67 N 0.37 1.32 -0.09 2.81 2.07 -0.84 0.41 116.25 122.30 1pkl h VAL 67 Ca 0.02 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1pkl h VAL 67 Cb 0.95 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1pkl h VAL 67 CO 0.08 0.27 0.07 0.03 0.02 0.00 0.00 177.57 178.04 1pkl h ARG 68 N -0.30 0.00 0.00 1.57 -0.00 -1.30 -0.66 114.38 113.70 1pkl h ARG 68 Ca 0.01 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.44 1pkl h ARG 68 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.40 1pkl h ARG 68 CO 0.01 0.00 -0.30 0.37 0.00 0.00 0.00 179.97 180.05 1pkl h GLN 69 N 0.00 0.00 -0.85 0.04 4.15 -1.10 -2.67 115.11 114.68 1pkl h GLN 69 Ca 0.04 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.59 1pkl h GLN 69 Cb 0.18 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 1pkl h GLN 69 CO -0.00 0.95 0.46 0.00 -1.93 0.00 0.00 178.83 178.31 1pkl h ALA 70 N -0.16 1.27 -0.21 3.38 0.00 -0.63 -0.10 119.26 122.80 1pkl h ALA 70 Ca -0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1pkl h ALA 70 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pkl h ALA 70 CO -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 179.25 179.16 1pkl h ALA 71 N 1.53 0.28 -0.47 0.00 0.00 -1.25 -2.23 119.26 117.13 1pkl h ALA 71 Ca 0.45 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1pkl h ALA 71 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1pkl h ALA 71 CO -0.32 0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.21 1pkl h ALA 72 N 0.77 0.59 -0.25 0.00 0.00 -0.96 0.37 119.26 119.79 1pkl h ALA 72 Ca 0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1pkl h ALA 72 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pkl h ALA 72 CO 0.01 -0.06 -0.07 0.93 0.00 0.00 0.00 179.25 180.07 1pkl h GLU 73 N 0.53 0.39 -0.01 0.00 5.08 -1.00 -1.97 114.58 117.60 1pkl h GLU 73 Ca 0.19 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1pkl h GLU 73 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1pkl h GLU 73 CO -0.10 0.48 -0.06 1.28 -1.00 0.00 0.00 179.01 179.61 1pkl n LEU 74 N -4.27 1.49 -1.23 1.33 4.77 -0.84 -4.96 117.00 113.29 1pkl n LEU 74 Ca 0.00 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.38 1pkl n LEU 74 Cb 0.26 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1pkl n LEU 74 CO 0.39 0.25 -0.14 0.61 -1.33 0.00 0.00 177.39 177.17 1pkl n GLY 75 N 1.22 0.42 3.73 -0.72 0.00 0.04 -5.03 105.19 104.85 1pkl n GLY 75 Ca 0.17 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.55 1.41 -0.19 1.61 -7.23 -0.70 -5.02 120.40 107.73 1pkl s VAL 76 Ca 0.00 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1pkl s VAL 76 Cb 0.00 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.57 1pkl s VAL 76 CO 0.00 0.00 -0.16 0.20 -0.31 0.00 0.00 175.10 174.83 1pkl s ASN 77 N -3.85 3.41 -0.11 4.85 0.01 -1.26 -4.38 114.94 113.61 1pkl s ASN 77 Ca 0.15 -0.59 0.03 0.00 -0.71 0.00 0.00 52.86 51.74 1pkl s ASN 77 Cb 0.04 -1.54 -0.00 0.00 0.41 0.00 0.00 41.25 40.15 1pkl s ASN 77 CO 0.08 -0.00 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.82 1pkl s ILE 78 N 1.33 2.30 0.47 0.60 -1.09 -1.26 -4.80 121.20 118.74 1pkl s ILE 78 Ca 0.05 -0.93 -0.21 0.00 -2.23 0.00 0.00 60.65 57.32 1pkl s ILE 78 Cb -0.13 -1.90 -0.08 0.00 -1.58 0.00 0.00 42.46 38.76 1pkl s ILE 78 CO -0.10 0.55 1.06 0.00 -1.23 0.00 0.00 174.94 175.22 1pkl s ALA 79 N 0.34 2.92 -0.17 9.38 0.00 -0.88 -4.90 121.76 128.46 1pkl s ALA 79 Ca -0.17 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1pkl s ALA 79 Cb -0.17 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1pkl s ALA 79 CO 0.08 -0.35 -0.18 0.42 0.00 0.00 0.00 175.76 175.72 1pkl s ILE 80 N -1.84 2.29 -0.06 0.00 1.01 -1.26 -0.96 121.20 120.38 1pkl s ILE 80 Ca 0.65 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1pkl s ILE 80 Cb -0.19 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1pkl s ILE 80 CO 0.24 0.53 -0.15 0.00 0.00 0.00 0.00 174.94 175.55 1pkl s ALA 81 N 1.06 2.61 -0.37 9.38 0.00 -0.36 -1.34 121.76 132.74 1pkl s ALA 81 Ca -0.01 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 1pkl s ALA 81 Cb -0.14 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1pkl s ALA 81 CO -0.06 0.51 0.17 -1.17 0.00 0.00 0.00 175.76 175.21 1pkl s LEU 82 N -0.57 4.70 -0.38 0.00 0.20 -0.72 -0.83 118.68 121.08 1pkl s LEU 82 Ca 0.08 -1.30 -0.23 0.00 0.69 0.00 0.00 54.13 53.37 1pkl s LEU 82 Cb -0.11 -1.92 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1pkl s LEU 82 CO 0.01 -0.42 0.76 -0.62 -0.29 0.00 0.00 176.35 175.79 1pkl s ASP 83 N 1.68 6.49 0.60 3.68 -1.08 0.78 -1.48 116.67 127.34 1pkl s ASP 83 Ca 0.01 0.20 -0.19 0.00 -0.52 0.00 0.00 52.55 52.05 1pkl s ASP 83 Cb -0.21 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 1pkl s ASP 83 CO 0.03 -0.76 1.24 -0.89 0.52 0.00 0.00 175.17 175.31 1pkl s THR 84 N 3.08 2.47 0.08 1.71 2.01 -0.65 -0.84 115.64 123.50 1pkl s THR 84 Ca 0.30 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 1pkl s THR 84 Cb -0.13 -3.12 -0.25 0.00 0.01 0.00 0.00 72.50 69.00 1pkl s THR 84 CO 0.18 -0.06 1.18 0.50 -0.69 0.00 0.00 174.62 175.73 1pkl h LYS 85 N 0.90 0.50 -0.46 4.92 3.64 -1.90 -3.39 116.57 120.78 1pkl h LYS 85 Ca -0.51 -0.64 0.05 0.00 -1.27 0.00 0.00 60.65 58.29 1pkl h LYS 85 Cb 1.31 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1pkl h LYS 85 CO 0.55 1.26 -0.12 0.41 -2.27 0.00 0.00 179.45 179.28 1pkl n GLY 86 N 1.25 -2.04 3.73 5.01 0.00 -1.26 -4.89 105.19 106.99 1pkl n GLY 86 Ca -0.10 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.17 4.19 0.07 1.61 0.04 -1.26 -4.85 135.00 132.63 1pkl s PRO 87 Ca 0.00 2.43 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1pkl s PRO 87 Cb 0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1pkl s PRO 87 CO 0.00 -0.58 -0.14 -2.00 0.04 0.00 0.00 177.00 174.32 1pkl s GLU 88 N 0.30 0.83 -0.18 4.56 2.12 -1.26 -5.05 118.70 120.02 1pkl s GLU 88 Ca 0.66 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 1pkl s GLU 88 Cb -0.45 -0.85 -0.02 0.00 0.26 0.00 0.00 34.13 33.07 1pkl s GLU 88 CO 0.39 0.19 -0.05 0.42 -0.54 0.00 0.00 175.26 175.67 1pkl s ILE 89 N -1.25 3.64 0.11 -3.70 1.01 -1.26 -5.06 121.20 114.69 1pkl s ILE 89 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1pkl s ILE 89 Cb -0.10 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1pkl s ILE 89 CO 0.02 0.46 -0.09 0.00 0.00 0.00 0.00 174.94 175.34 1pkl s ARG 90 N 0.79 0.90 0.00 2.79 3.03 -1.26 0.17 118.95 125.36 1pkl s ARG 90 Ca -0.02 -1.31 0.00 0.00 2.03 0.00 0.00 55.73 56.44 1pkl s ARG 90 Cb -0.15 -0.44 0.00 0.00 -1.03 0.00 0.00 34.95 33.33 1pkl s ARG 90 CO 0.02 0.04 0.00 0.25 -1.13 0.00 0.00 175.30 174.48 1pkl n THR 91 N 0.12 0.00 -2.73 4.99 -2.24 -0.58 -1.79 114.28 112.05 1pkl n THR 91 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1pkl n THR 91 Cb 0.60 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1pkl n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkl n GLY 92 N 3.82 3.55 3.94 3.38 0.00 -0.95 -4.53 105.19 114.41 1pkl n GLY 92 Ca 0.00 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 1pkl n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkl s GLN 93 N 0.67 2.67 0.18 1.61 -0.21 0.21 -2.47 119.66 122.33 1pkl s GLN 93 Ca 0.00 -0.40 0.09 0.00 0.02 0.00 0.00 55.36 55.07 1pkl s GLN 93 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1pkl s GLN 93 CO 0.00 -0.74 -0.19 -0.06 -2.12 0.00 0.00 175.29 172.19 1pkl s PHE 94 N -2.89 1.90 -0.37 0.91 0.08 -1.26 -2.62 117.98 113.73 1pkl s PHE 94 Ca 0.55 -0.46 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 1pkl s PHE 94 Cb -0.10 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1pkl s PHE 94 CO 0.41 0.39 1.25 0.08 -0.10 0.00 0.00 175.22 177.25 1pkl s VAL 95 N -2.18 4.17 0.00 -0.44 1.01 0.36 -1.68 120.40 121.65 1pkl s VAL 95 Ca 0.18 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1pkl s VAL 95 Cb -0.05 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1pkl s VAL 95 CO 0.08 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1pkl n GLY 96 N 4.51 0.77 2.30 4.51 0.00 -1.26 -4.18 105.19 111.83 1pkl n GLY 96 Ca 0.14 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.42 0.32 3.42 -0.02 0.00 -0.68 -4.92 105.19 100.90 1pkl n GLY 97 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.12 -0.30 -0.29 1.61 2.15 -1.26 -3.87 116.67 112.59 1pkl s ASP 98 Ca 0.00 -0.34 0.04 0.00 0.43 0.00 0.00 52.55 52.68 1pkl s ASP 98 Cb 0.00 0.54 0.20 0.00 -0.30 0.00 0.00 42.92 43.36 1pkl s ASP 98 CO 0.00 -0.96 0.61 0.00 -0.17 0.00 0.00 175.17 174.65 1pkl s ALA 99 N -3.83 -2.43 -0.70 3.66 0.00 -0.79 -4.42 121.76 113.25 1pkl s ALA 99 Ca 0.05 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 1pkl s ALA 99 Cb 0.00 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.64 1pkl s ALA 99 CO -0.08 -1.77 1.42 0.08 0.00 0.00 0.00 175.76 175.41 1pkl s VAL 100 N 2.84 3.64 0.21 0.00 1.01 -1.26 -2.57 120.40 124.28 1pkl s VAL 100 Ca 0.12 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 1pkl s VAL 100 Cb -0.10 -4.68 -0.09 0.00 0.00 0.00 0.00 36.38 31.51 1pkl s VAL 100 CO -0.25 -1.61 0.84 -0.04 0.00 0.00 0.00 175.10 174.03 1pkl s MET 101 N 6.02 4.62 0.00 2.72 -1.94 -0.74 -4.94 119.30 125.04 1pkl s MET 101 Ca 0.43 1.24 0.03 0.00 -1.71 0.00 0.00 55.69 55.68 1pkl s MET 101 Cb -0.09 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.58 1pkl s MET 101 CO 0.17 0.50 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.37 1pkl s GLU 102 N -1.37 0.75 0.13 2.03 2.02 -1.26 -1.67 118.70 119.32 1pkl s GLU 102 Ca 0.40 -0.40 -0.35 0.00 0.02 0.00 0.00 54.97 54.64 1pkl s GLU 102 Cb -0.23 -0.72 -0.15 0.00 0.10 0.00 0.00 34.13 33.14 1pkl s GLU 102 CO 0.27 0.19 1.51 -2.13 0.02 0.00 0.00 175.26 175.12 1pkl n ARG 103 N 2.67 1.81 -0.15 1.61 0.63 -1.26 -1.65 116.66 120.33 1pkl n ARG 103 Ca -0.14 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1pkl n ARG 103 Cb 0.56 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.09 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 3.14 1.79 3.83 5.14 0.00 0.42 -4.97 105.19 114.55 1pkl n GLY 104 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.83 3.29 0.10 4.61 0.00 -0.66 -4.80 121.76 121.47 1pkl s ALA 105 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 1pkl s ALA 105 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 1pkl s ALA 105 CO 0.00 0.29 0.40 0.99 0.00 0.00 0.00 175.76 177.44 1pkl s THR 106 N -1.89 5.11 0.27 0.00 2.01 -1.26 -0.13 115.64 119.75 1pkl s THR 106 Ca 0.53 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.79 1pkl s THR 106 Cb -0.12 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1pkl s THR 106 CO 0.18 0.21 0.41 0.00 -0.69 0.00 0.00 174.62 174.73 1pkl s TYR 108 N -3.76 1.27 -0.28 0.00 2.02 0.13 -1.07 117.35 115.67 1pkl s TYR 108 Ca 0.28 -0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 56.32 1pkl s TYR 108 Cb 0.01 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1pkl s TYR 108 CO 0.13 -0.45 0.09 0.14 -1.57 0.00 0.00 175.55 173.89 1pkl s VAL 109 N 1.69 4.22 0.34 0.71 -7.23 -0.94 -1.21 120.40 117.98 1pkl s VAL 109 Ca 0.03 -0.46 0.09 0.00 -1.81 0.00 0.00 61.98 59.83 1pkl s VAL 109 Cb -0.13 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1pkl s VAL 109 CO -0.07 0.16 0.08 0.28 -0.31 0.00 0.00 175.10 175.25 1pkl s THR 110 N 1.57 2.79 -1.41 5.32 -1.32 -0.39 -1.65 115.64 120.55 1pkl s THR 110 Ca 0.04 -1.83 0.14 0.00 -1.21 0.00 0.00 61.69 58.83 1pkl s THR 110 Cb -0.16 -2.89 0.31 0.00 -1.51 0.00 0.00 72.50 68.24 1pkl s THR 110 CO 0.04 -0.18 1.21 0.41 -2.21 0.00 0.00 174.62 173.89 1pkl n THR 111 N -1.06 0.68 -2.43 5.08 -1.04 0.24 -2.52 114.28 113.22 1pkl n THR 111 Ca -0.04 -0.84 -0.43 0.00 -2.04 0.00 0.00 64.05 60.71 1pkl n THR 111 Cb 0.62 0.76 -0.02 0.00 -1.82 0.00 0.00 70.33 69.86 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 -1.07 6.82 0.64 8.00 2.15 -1.26 -4.92 116.67 127.03 1pkl s ASP 112 Ca 0.26 1.45 0.35 0.00 0.43 0.00 0.00 52.55 55.04 1pkl s ASP 112 Cb 0.15 -2.54 1.96 0.00 -0.30 0.00 0.00 42.92 42.18 1pkl s ASP 112 CO 0.20 -0.91 2.18 -0.65 -0.17 0.00 0.00 175.17 175.82 1pkl h PRO 113 N 8.69 0.00 0.00 4.34 0.11 -1.98 -2.70 132.00 140.47 1pkl h PRO 113 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1pkl h PRO 113 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1pkl h PRO 113 CO 1.00 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.65 1pkl h ALA 114 N 1.78 1.32 -0.41 -0.75 0.00 -2.01 -2.77 119.26 116.42 1pkl h ALA 114 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pkl h ALA 114 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pkl h ALA 114 CO -0.00 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.62 1pkl n PHE 115 N -3.73 1.07 0.31 0.00 3.01 -1.02 -4.33 117.46 112.77 1pkl n PHE 115 Ca -0.02 -0.41 0.19 0.00 1.01 0.00 0.00 57.45 58.22 1pkl n PHE 115 Cb 0.26 -0.22 1.02 0.00 -0.01 0.00 0.00 39.48 40.52 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl h ALA 116 N 3.53 1.16 0.00 4.37 0.00 -1.69 -3.20 119.26 123.43 1pkl h ALA 116 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pkl h ALA 116 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pkl h ALA 116 CO 0.19 0.02 -0.09 -0.40 0.00 0.00 0.00 179.25 178.97 1pkl n ASP 117 N -3.34 0.47 -0.52 0.00 5.68 -1.26 0.63 116.55 118.21 1pkl n ASP 117 Ca -0.02 -0.20 0.06 0.00 -0.50 0.00 0.00 54.79 54.13 1pkl n ASP 117 Cb 0.13 0.49 0.21 0.00 -1.14 0.00 0.00 41.12 40.81 1pkl n ASP 117 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1pkl n LYS 118 N -0.54 1.66 -1.63 0.11 4.81 -1.21 -4.26 118.16 117.10 1pkl n LYS 118 Ca 0.00 -1.01 -0.46 0.00 -0.87 0.00 0.00 58.31 55.97 1pkl n LYS 118 Cb 0.00 -1.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 1pkl n LYS 118 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pkl n GLY 119 N 1.00 0.35 3.32 3.14 0.00 -1.08 -4.72 105.19 107.20 1pkl n GLY 119 Ca 0.12 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 1pkl n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkl s THR 120 N -0.36 0.00 -0.00 2.61 -4.23 -0.63 -0.49 115.64 112.54 1pkl s THR 120 Ca 0.67 -1.83 0.30 0.00 -1.18 0.00 0.00 61.69 59.65 1pkl s THR 120 Cb -0.71 -2.42 0.32 0.00 1.34 0.00 0.00 72.50 71.02 1pkl s THR 120 CO 0.53 0.00 1.91 0.07 -0.54 0.00 0.00 174.62 176.59 1pkl h LYS 121 N 2.49 0.00 0.12 3.99 2.10 -1.91 -2.82 116.57 120.53 1pkl h LYS 121 Ca -0.33 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 57.99 1pkl h LYS 121 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1pkl h LYS 121 CO 0.47 0.00 -1.80 -0.44 -2.00 0.00 0.00 179.45 175.68 1pkl h ASP 122 N 0.00 0.38 -2.90 7.07 3.32 -1.93 -3.44 116.42 118.93 1pkl h ASP 122 Ca 0.00 -0.71 -0.07 0.00 0.02 0.00 0.00 57.03 56.27 1pkl h ASP 122 Cb 0.19 -0.13 -0.25 0.00 0.22 0.00 0.00 39.33 39.36 1pkl h ASP 122 CO 0.00 1.62 -0.25 -0.75 -1.72 0.00 0.00 179.24 178.14 1pkl s LYS 123 N -2.58 0.44 0.20 3.56 2.20 -1.06 0.20 119.74 122.69 1pkl s LYS 123 Ca -0.15 0.98 -0.03 0.00 -0.36 0.00 0.00 55.97 56.41 1pkl s LYS 123 Cb 0.07 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1pkl s LYS 123 CO 0.81 -0.18 0.18 -0.59 -0.36 0.00 0.00 175.35 175.21 1pkl s PHE 124 N 1.88 0.95 0.40 4.03 -0.71 -0.35 -1.61 117.98 122.57 1pkl s PHE 124 Ca -0.07 -1.22 -0.01 0.00 -1.04 0.00 0.00 56.93 54.58 1pkl s PHE 124 Cb -0.09 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.28 1pkl s PHE 124 CO -0.15 -0.68 0.63 -0.47 -1.34 0.00 0.00 175.22 173.21 1pkl s TYR 125 N -4.11 3.51 -0.20 3.49 5.04 -1.25 -1.26 117.35 122.57 1pkl s TYR 125 Ca 0.33 0.50 -0.04 0.00 -2.44 0.00 0.00 57.07 55.43 1pkl s TYR 125 Cb 0.06 -2.05 0.10 0.00 0.35 0.00 0.00 41.96 40.42 1pkl s TYR 125 CO 0.10 -0.03 0.31 0.42 -1.34 0.00 0.00 175.55 175.00 1pkl s ILE 126 N -2.47 -0.49 -2.00 3.14 1.01 -1.05 -2.23 121.20 117.11 1pkl s ILE 126 Ca 0.43 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.12 1pkl s ILE 126 Cb -0.10 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1pkl s ILE 126 CO 0.39 -0.06 0.34 -0.90 0.00 0.00 0.00 174.94 174.71 1pkl n ASP 127 N 5.35 0.00 -4.40 3.58 5.68 -0.74 -4.51 116.55 121.51 1pkl n ASP 127 Ca -0.05 -0.07 -0.44 0.00 -0.50 0.00 0.00 54.79 53.73 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 -2.00 2.91 -0.93 2.11 5.04 -1.26 -4.93 117.35 118.29 1pkl s TYR 128 Ca 0.01 -0.87 0.03 0.00 -2.44 0.00 0.00 57.07 53.80 1pkl s TYR 128 Cb 0.01 -4.13 0.16 0.00 0.35 0.00 0.00 41.96 38.35 1pkl s TYR 128 CO 0.01 -1.42 1.10 1.04 -1.34 0.00 0.00 175.55 174.93 1pkl n GLN 129 N 6.77 0.01 -0.07 4.97 6.02 -1.26 -2.16 117.38 131.66 1pkl n GLN 129 Ca -0.05 0.49 0.10 0.00 -0.01 0.00 0.00 57.00 57.53 1pkl n GLN 129 Cb 0.44 -1.54 0.13 0.00 1.02 0.00 0.00 30.24 30.28 1pkl n GLN 129 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pkl n ASN 130 N -1.57 2.93 -0.25 1.08 3.02 -1.26 -4.75 115.26 114.45 1pkl n ASN 130 Ca 0.00 -1.89 -0.05 0.00 -0.03 0.00 0.00 54.58 52.62 1pkl n ASN 130 Cb 0.02 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1pkl n ASN 130 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1pkl n LEU 131 N 1.20 -0.57 0.22 3.41 7.94 -0.92 -0.98 117.00 127.31 1pkl n LEU 131 Ca 0.14 1.09 0.08 0.00 -1.11 0.00 0.00 56.01 56.21 1pkl n LEU 131 Cb 0.53 -0.18 0.52 0.00 0.53 0.00 0.00 43.42 44.82 1pkl n LEU 131 CO 0.13 -0.92 0.84 0.28 -1.11 0.00 0.00 177.39 176.61 1pkl h SER 132 N 0.00 0.00 1.18 1.96 0.02 -1.85 0.25 113.55 115.12 1pkl h SER 132 Ca 0.14 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1pkl h SER 132 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1pkl h SER 132 CO -0.59 0.24 -0.85 0.50 -1.14 0.00 0.00 176.83 174.99 1pkl h LYS 133 N 0.00 0.00 0.00 3.45 3.64 -1.39 -3.38 116.57 118.89 1pkl h LYS 133 Ca -0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1pkl h LYS 133 Cb 0.55 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1pkl h LYS 133 CO 0.03 0.47 -1.24 0.28 -2.27 0.00 0.00 179.45 176.72 1pkl n VAL 134 N -3.12 1.51 -2.21 2.00 0.31 -0.80 -4.92 118.33 111.10 1pkl n VAL 134 Ca -0.02 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 1pkl n VAL 134 Cb 0.79 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 1pkl n VAL 134 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pkl s VAL 135 N -2.36 3.54 0.31 2.52 1.01 0.06 -4.94 120.40 120.54 1pkl s VAL 135 Ca -0.27 1.04 0.09 0.00 0.00 0.00 0.00 61.98 62.84 1pkl s VAL 135 Cb 0.06 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1pkl s VAL 135 CO 0.52 0.05 0.06 -0.13 0.00 0.00 0.00 175.10 175.60 1pkl s ARG 136 N 1.66 2.29 0.21 2.72 0.52 -1.26 -4.78 118.95 120.31 1pkl s ARG 136 Ca 0.64 -1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.01 1pkl s ARG 136 Cb -0.34 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.91 1pkl s ARG 136 CO 0.29 0.21 1.48 -2.14 0.02 0.00 0.00 175.30 175.16 1pkl s PRO 137 N -3.76 4.25 0.00 3.54 0.02 -1.26 -2.64 135.00 135.16 1pkl s PRO 137 Ca 0.35 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1pkl s PRO 137 Cb -0.03 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1pkl s PRO 137 CO 0.21 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1pkl n GLY 138 N 2.77 3.09 3.69 0.52 0.00 0.23 -5.01 105.19 110.48 1pkl n GLY 138 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.29 2.83 0.13 1.61 0.02 -1.08 -4.80 114.94 112.35 1pkl s ASN 139 Ca 0.00 1.23 0.11 0.00 -1.02 0.00 0.00 52.86 53.18 1pkl s ASN 139 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 41.25 39.34 1pkl s ASN 139 CO 0.00 -3.01 -0.26 -0.31 0.02 0.00 0.00 177.10 173.54 1pkl s TYR 140 N -2.98 2.33 -0.19 2.20 2.02 -1.26 -2.20 117.35 117.26 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 0.04 0.00 -0.40 0.00 0.00 41.96 40.16 1pkl s TYR 140 CO 0.57 0.34 -0.10 0.42 -1.57 0.00 0.00 175.55 175.21 1pkl s ILE 141 N -1.06 1.59 -0.15 2.71 1.01 -0.97 -3.96 121.20 120.37 1pkl s ILE 141 Ca 0.14 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 1pkl s ILE 141 Cb -0.10 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1pkl s ILE 141 CO 0.06 0.17 0.33 -0.31 0.00 0.00 0.00 174.94 175.19 1pkl s TYR 142 N 1.42 3.48 0.09 3.97 2.02 -0.18 -1.76 117.35 126.39 1pkl s TYR 142 Ca -0.01 0.66 0.05 0.00 -0.37 0.00 0.00 57.07 57.40 1pkl s TYR 142 Cb -0.16 -2.37 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 1pkl s TYR 142 CO -0.08 0.24 -0.13 0.42 -1.57 0.00 0.00 175.55 174.43 1pkl s ILE 143 N 0.43 1.15 -0.88 2.71 1.01 -0.11 0.82 121.20 126.33 1pkl s ILE 143 Ca 0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 1pkl s ILE 143 Cb -0.13 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1pkl s ILE 143 CO 0.05 -0.36 0.76 -0.67 0.00 0.00 0.00 174.94 174.72 1pkl n ASP 144 N 0.87 -6.96 -3.32 3.58 2.03 -0.24 -1.51 116.55 111.00 1pkl n ASP 144 Ca -0.18 -0.43 -0.17 0.00 0.52 0.00 0.00 54.79 54.52 1pkl n ASP 144 Cb 0.56 -4.75 0.08 0.00 -0.72 0.00 0.00 41.12 36.29 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 -2.35 -2.92 0.00 1.67 2.03 -1.26 -2.53 116.55 111.19 1pkl n ASP 145 Ca -0.06 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.68 1pkl n ASP 145 Cb 0.56 -4.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.12 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 -1.30 0.00 0.11 0.27 0.00 -1.23 -4.79 105.19 98.25 1pkl n GLY 146 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 1.43 -3.29 -0.61 2.04 -1.38 -3.45 117.51 112.25 1pkl h ILE 147 Ca 0.00 -1.58 -0.57 0.00 1.00 0.00 0.00 64.86 63.71 1pkl h ILE 147 Cb 0.58 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 1pkl h ILE 147 CO 0.00 0.44 -0.02 -0.22 0.00 0.00 0.00 178.15 178.35 1pkl s LEU 148 N -8.84 4.43 -0.16 1.44 2.96 -0.57 -4.97 118.68 112.97 1pkl s LEU 148 Ca -0.15 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1pkl s LEU 148 Cb 0.03 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 43.85 1pkl s LEU 148 CO 0.74 0.12 -0.05 -0.63 -1.32 0.00 0.00 176.35 175.21 1pkl s ILE 149 N -0.28 1.08 0.27 6.68 1.01 -1.26 -0.94 121.20 127.77 1pkl s ILE 149 Ca 0.31 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.44 1pkl s ILE 149 Cb -0.18 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1pkl s ILE 149 CO 0.17 0.15 0.31 -0.76 0.00 0.00 0.00 174.94 174.82 1pkl s LEU 150 N 1.65 4.01 -0.13 2.97 1.43 -0.72 -0.91 118.68 126.98 1pkl s LEU 150 Ca 0.01 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1pkl s LEU 150 Cb -0.15 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.51 1pkl s LEU 150 CO -0.08 -0.15 -0.05 -1.58 0.23 0.00 0.00 176.35 174.72 1pkl s GLN 151 N -3.97 1.35 -0.05 1.70 0.74 0.23 -2.29 119.66 117.38 1pkl s GLN 151 Ca 0.36 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.18 1pkl s GLN 151 Cb -0.08 -1.65 -0.06 0.00 1.10 0.00 0.00 33.01 32.32 1pkl s GLN 151 CO 0.28 -0.33 1.67 0.08 -0.55 0.00 0.00 175.29 176.43 1pkl s VAL 152 N 1.73 3.56 -0.21 1.34 1.01 -0.94 -0.86 120.40 126.04 1pkl s VAL 152 Ca 0.04 0.68 0.11 0.00 0.00 0.00 0.00 61.98 62.80 1pkl s VAL 152 Cb -0.13 -3.44 -0.22 0.00 0.00 0.00 0.00 36.38 32.59 1pkl s VAL 152 CO -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 175.10 174.98 1pkl n GLN 153 N 7.15 0.67 -3.87 2.72 1.13 0.31 -0.60 117.38 124.90 1pkl n GLN 153 Ca 0.17 0.08 0.03 0.00 -1.94 0.00 0.00 57.00 55.35 1pkl n GLN 153 Cb 0.43 -1.55 0.01 0.00 0.11 0.00 0.00 30.24 29.24 1pkl n GLN 153 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1pkl n SER 154 N -2.99 -1.05 -4.68 1.08 3.41 -1.18 -4.83 113.62 103.38 1pkl n SER 154 Ca -0.37 -1.15 -0.35 0.00 -0.26 0.00 0.00 58.87 56.74 1pkl n SER 154 Cb 1.09 1.62 -0.09 0.00 -0.26 0.00 0.00 64.21 66.56 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 -2.06 3.34 -0.05 7.33 3.76 -1.26 -0.93 115.29 125.41 1pkl s HIS 155 Ca 0.29 0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 55.27 1pkl s HIS 155 Cb -0.00 -2.15 -0.31 0.00 1.11 0.00 0.00 32.58 31.22 1pkl s HIS 155 CO -0.01 0.20 0.72 0.93 -0.85 0.00 0.00 174.74 175.72 1pkl h GLU 156 N 6.85 0.37 0.00 1.40 4.39 -1.47 -3.46 114.58 122.66 1pkl h GLU 156 Ca -0.39 -0.63 -0.14 0.00 0.34 0.00 0.00 59.36 58.53 1pkl h GLU 156 Cb 1.16 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 30.02 1pkl h GLU 156 CO 0.72 1.30 0.03 -0.40 -1.16 0.00 0.00 179.01 179.51 1pkl n ASP 157 N -3.77 -1.51 -0.27 1.42 5.68 -1.17 -4.98 116.55 111.96 1pkl n ASP 157 Ca -0.22 -2.50 0.16 0.00 -0.50 0.00 0.00 54.79 51.73 1pkl n ASP 157 Cb 1.00 2.65 0.45 0.00 -1.14 0.00 0.00 41.12 44.08 1pkl n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pkl h GLU 158 N 0.00 0.52 0.00 0.11 4.22 -2.02 -2.85 114.58 114.56 1pkl h GLU 158 Ca -0.26 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1pkl h GLU 158 Cb 1.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1pkl h GLU 158 CO 0.34 0.34 -1.71 1.04 -2.18 0.00 0.00 179.01 176.84 1pkl n GLN 159 N -4.56 0.55 -4.33 1.92 6.02 -1.26 -4.74 117.38 110.98 1pkl n GLN 159 Ca 0.19 -0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.73 1pkl n GLN 159 Cb 0.62 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.29 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 -3.32 3.66 0.01 5.09 2.01 -1.08 -0.60 115.64 121.42 1pkl s THR 160 Ca -0.04 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1pkl s THR 160 Cb 0.14 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1pkl s THR 160 CO 0.86 0.26 -0.19 -0.76 -0.69 0.00 0.00 174.62 174.10 1pkl s LEU 161 N -1.81 2.09 -0.24 4.42 1.43 -0.66 -1.22 118.68 122.70 1pkl s LEU 161 Ca 0.20 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1pkl s LEU 161 Cb -0.11 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1pkl s LEU 161 CO 0.11 0.20 0.37 -0.70 0.23 0.00 0.00 176.35 176.56 1pkl s GLU 162 N -0.74 4.09 0.23 1.70 2.12 -0.11 -2.20 118.70 123.79 1pkl s GLU 162 Ca 0.07 0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.57 1pkl s GLU 162 Cb -0.08 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 1pkl s GLU 162 CO 0.00 -0.16 -0.12 0.00 -0.54 0.00 0.00 175.26 174.45 1pkl s THR 164 N -2.97 3.24 -0.53 0.00 2.01 -0.04 -1.26 115.64 116.10 1pkl s THR 164 Ca 0.25 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 1pkl s THR 164 Cb 0.01 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.21 1pkl s THR 164 CO 0.09 0.55 1.07 -0.69 -0.69 0.00 0.00 174.62 174.95 1pkl s VAL 165 N -0.10 4.23 -0.65 3.82 1.01 0.82 -0.60 120.40 128.93 1pkl s VAL 165 Ca -0.01 0.82 0.25 0.00 0.00 0.00 0.00 61.98 63.05 1pkl s VAL 165 Cb -0.14 -4.60 0.27 0.00 0.00 0.00 0.00 36.38 31.92 1pkl s VAL 165 CO 0.03 -1.11 1.76 0.35 0.00 0.00 0.00 175.10 176.13 1pkl n THR 166 N 6.57 0.66 -3.67 3.92 -2.24 -0.09 -0.44 114.28 119.00 1pkl n THR 166 Ca 0.08 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1pkl n THR 166 Cb 0.49 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -4.43 -0.49 0.14 3.42 4.22 -1.26 -4.76 114.94 111.79 1pkl s ASN 167 Ca 0.09 0.75 -0.31 0.00 -2.14 0.00 0.00 52.86 51.25 1pkl s ASN 167 Cb 0.11 0.77 -0.08 0.00 1.28 0.00 0.00 41.25 43.33 1pkl s ASN 167 CO 0.53 -0.35 1.29 -0.44 -2.04 0.00 0.00 177.10 176.09 1pkl s SER 168 N -0.46 6.96 -0.29 3.54 0.01 -1.26 -4.31 113.70 117.89 1pkl s SER 168 Ca -0.06 2.25 -0.23 0.00 1.31 0.00 0.00 55.95 59.22 1pkl s SER 168 Cb -0.03 -2.59 0.14 0.00 0.21 0.00 0.00 66.02 63.74 1pkl s SER 168 CO 0.04 -0.52 1.09 -2.28 0.41 0.00 0.00 173.24 171.98 1pkl s HIS 169 N 0.62 -0.42 -0.17 2.43 5.04 -0.67 -4.94 115.29 117.19 1pkl s HIS 169 Ca 0.59 0.96 -0.13 0.00 -1.54 0.00 0.00 55.06 54.95 1pkl s HIS 169 Cb -0.34 0.37 -0.05 0.00 0.04 0.00 0.00 32.58 32.60 1pkl s HIS 169 CO 0.33 -0.20 0.25 0.99 -2.34 0.00 0.00 174.74 173.77 1pkl s THR 170 N 0.44 5.33 -0.03 0.89 2.01 -1.26 -1.80 115.64 121.21 1pkl s THR 170 Ca 0.01 0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1pkl s THR 170 Cb -0.05 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1pkl s THR 170 CO -0.10 0.41 -0.24 0.27 -0.69 0.00 0.00 174.62 174.28 1pkl s ILE 171 N 0.39 1.89 0.00 1.82 -4.36 -1.06 -4.99 121.20 114.89 1pkl s ILE 171 Ca 0.15 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 1pkl s ILE 171 Cb -0.13 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 42.00 1pkl s ILE 171 CO 0.03 0.53 0.00 -1.54 0.24 0.00 0.00 174.94 174.20 1pkl n SER 172 N 2.72 0.00 -4.67 4.36 3.41 -1.26 -1.89 113.62 116.29 1pkl n SER 172 Ca -0.17 -0.67 -0.36 0.00 -0.26 0.00 0.00 58.87 57.42 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 -2.01 1.19 -3.57 4.04 8.00 -1.25 -4.20 116.55 118.76 1pkl n ASP 173 Ca 0.00 0.73 -0.12 0.00 0.71 0.00 0.00 54.79 56.11 1pkl n ASP 173 Cb 0.00 -1.48 -0.00 0.00 -0.02 0.00 0.00 41.12 39.62 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 -2.04 -0.88 -3.01 -1.24 1.74 -1.03 -4.94 116.66 105.26 1pkl n ARG 174 Ca 0.14 -0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 1pkl n ARG 174 Cb 0.49 -0.27 -0.04 0.00 -1.02 0.00 0.00 32.46 31.61 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 -5.22 3.83 0.45 5.56 1.81 -1.26 -4.60 118.95 119.52 1pkl s ARG 175 Ca 0.09 0.48 -0.23 0.00 -1.72 0.00 0.00 55.73 54.35 1pkl s ARG 175 Cb -0.05 -2.44 -0.07 0.00 -0.45 0.00 0.00 34.95 31.94 1pkl s ARG 175 CO 0.27 0.06 1.16 0.20 -0.68 0.00 0.00 175.30 176.31 1pkl s GLY 176 N -2.85 2.78 0.09 -3.53 0.00 -1.26 -1.53 107.32 101.02 1pkl s GLY 176 Ca 0.51 0.93 0.09 0.00 0.00 0.00 0.00 44.72 46.25 1pkl s GLY 176 CO 0.26 1.39 -0.24 -1.34 0.00 0.00 0.00 173.10 173.17 1pkl s VAL 177 N -1.54 1.97 -0.02 1.40 -7.23 0.13 -1.08 120.40 114.03 1pkl s VAL 177 Ca 0.63 -1.52 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 1pkl s VAL 177 Cb -0.28 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1pkl s VAL 177 CO 0.35 0.13 -0.20 0.20 -0.31 0.00 0.00 175.10 175.26 1pkl s ASN 178 N -1.69 2.40 -0.56 4.85 0.01 0.24 -4.48 114.94 115.72 1pkl s ASN 178 Ca 0.10 -0.37 0.02 0.00 -0.71 0.00 0.00 52.86 51.90 1pkl s ASN 178 Cb -0.10 -0.28 0.14 0.00 0.41 0.00 0.00 41.25 41.43 1pkl s ASN 178 CO 0.04 0.25 0.33 -0.76 -1.51 0.00 0.00 177.10 175.44 1pkl s LEU 179 N -0.47 4.65 0.02 0.60 1.02 -1.26 -1.01 118.68 122.23 1pkl s LEU 179 Ca 0.08 -2.96 -0.34 0.00 0.02 0.00 0.00 54.13 50.92 1pkl s LEU 179 Cb -0.08 -1.72 -0.13 0.00 0.02 0.00 0.00 46.19 44.28 1pkl s LEU 179 CO -0.01 -0.28 1.71 -2.65 0.02 0.00 0.00 176.35 175.15 1pkl n PRO 180 N 3.24 2.07 -0.50 1.29 -0.02 -1.25 -1.80 135.00 138.02 1pkl n PRO 180 Ca 0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1pkl n PRO 180 Cb 0.34 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.86 1.41 3.75 -1.23 0.00 -1.26 -4.73 105.19 106.99 1pkl n GLY 181 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 0.21 6.80 -0.15 0.00 1.11 -1.26 -4.93 116.67 118.46 1pkl s ASP 183 Ca 0.22 0.99 -0.05 0.00 0.18 0.00 0.00 52.55 53.89 1pkl s ASP 183 Cb -0.15 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 1pkl s ASP 183 CO 0.09 -1.01 0.01 0.68 1.18 0.00 0.00 175.17 176.12 1pkl s VAL 184 N 4.02 4.36 -1.22 -1.27 -7.23 -1.26 -4.99 120.40 112.82 1pkl s VAL 184 Ca 0.49 -0.20 -0.08 0.00 -1.81 0.00 0.00 61.98 60.38 1pkl s VAL 184 Cb -0.12 -2.91 0.21 0.00 0.56 0.00 0.00 36.38 34.11 1pkl s VAL 184 CO 0.21 0.51 1.75 -0.67 -0.31 0.00 0.00 175.10 176.59 1pkl n ASP 185 N 3.16 5.49 -4.83 4.85 -0.08 -1.26 -4.97 116.55 118.92 1pkl n ASP 185 Ca -0.17 -3.20 -0.37 0.00 -1.51 0.00 0.00 54.79 49.54 1pkl n ASP 185 Cb 0.53 -1.42 -0.06 0.00 2.34 0.00 0.00 41.12 42.51 1pkl n ASP 185 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1pkl s LEU 186 N -0.91 4.38 0.60 -2.67 1.43 -1.26 -5.08 118.68 115.17 1pkl s LEU 186 Ca 0.37 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.89 1pkl s LEU 186 Cb 0.08 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1pkl s LEU 186 CO 0.03 0.32 1.20 -2.16 0.23 0.00 0.00 176.35 175.97 1pkl s PRO 187 N -0.71 2.94 0.00 1.29 0.04 -1.26 -4.98 135.00 132.32 1pkl s PRO 187 Ca 0.17 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1pkl s PRO 187 Cb -0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1pkl s PRO 187 CO 0.06 -1.22 0.84 0.00 0.04 0.00 0.00 177.00 176.72 1pkl n ALA 188 N -1.67 -0.14 -2.77 8.56 0.00 -1.26 -4.57 120.51 118.66 1pkl n ALA 188 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1pkl n ALA 188 Cb 0.50 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 1pkl n ALA 188 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pkl s VAL 189 N -2.36 5.42 0.73 0.00 1.01 -1.26 -4.24 120.40 119.70 1pkl s VAL 189 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1pkl s VAL 189 Cb 0.00 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1pkl s VAL 189 CO 0.00 0.49 1.02 -0.94 0.00 0.00 0.00 175.10 175.67 1pkl s SER 190 N -0.05 4.43 0.29 3.32 1.04 -1.26 -4.91 113.70 116.56 1pkl s SER 190 Ca 0.11 0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1pkl s SER 190 Cb -0.12 -0.52 0.43 0.00 0.10 0.00 0.00 66.02 65.91 1pkl s SER 190 CO 0.00 -1.81 1.82 0.00 0.98 0.00 0.00 173.24 174.23 1pkl h ALA 191 N -0.64 1.22 0.08 5.32 0.00 -1.99 -2.20 119.26 121.06 1pkl h ALA 191 Ca -0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pkl h ALA 191 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pkl h ALA 191 CO 0.48 0.52 -0.04 -0.22 0.00 0.00 0.00 179.25 179.99 1pkl h LYS 192 N 0.71 -0.11 -0.75 0.00 3.64 -1.98 -2.74 116.57 115.33 1pkl h LYS 192 Ca 0.15 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1pkl h LYS 192 Cb 0.34 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 1pkl h LYS 192 CO 0.01 -0.01 0.35 -0.44 -2.27 0.00 0.00 179.45 177.08 1pkl h ASP 193 N -0.18 0.40 -0.85 4.20 3.32 -1.88 -0.30 116.42 121.14 1pkl h ASP 193 Ca -0.01 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1pkl h ASP 193 Cb 0.15 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1pkl h ASP 193 CO 0.02 0.19 0.55 0.03 -1.72 0.00 0.00 179.24 178.31 1pkl h ARG 194 N 0.54 0.90 -0.14 3.56 3.08 -1.12 0.25 114.38 121.46 1pkl h ARG 194 Ca 0.40 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.30 1pkl h ARG 194 Cb 0.52 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1pkl h ARG 194 CO -0.34 0.60 -0.25 0.28 -1.07 0.00 0.00 179.97 179.18 1pkl h VAL 195 N 0.93 1.37 -0.57 2.04 2.07 -0.86 -2.78 116.25 118.45 1pkl h VAL 195 Ca 0.37 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1pkl h VAL 195 Cb 0.24 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1pkl h VAL 195 CO -0.14 0.45 0.07 0.44 0.02 0.00 0.00 177.57 178.41 1pkl h ASP 196 N 0.02 0.88 -0.46 0.57 3.32 -0.65 -2.64 116.42 117.46 1pkl h ASP 196 Ca 0.01 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 1pkl h ASP 196 Cb 0.84 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1pkl h ASP 196 CO 0.06 0.90 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.25 1pkl h LEU 197 N 0.87 0.96 -1.04 1.55 3.38 -0.56 -0.03 115.31 120.45 1pkl h LEU 197 Ca 0.17 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1pkl h LEU 197 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1pkl h LEU 197 CO 0.01 1.11 -0.01 -0.61 0.09 0.00 0.00 178.44 179.03 1pkl h GLN 198 N 0.84 0.68 -0.32 1.13 4.15 -1.39 -1.24 115.11 118.96 1pkl h GLN 198 Ca 0.12 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1pkl h GLN 198 Cb 0.72 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1pkl h GLN 198 CO 0.05 0.70 -0.02 0.35 -1.93 0.00 0.00 178.83 177.99 1pkl h PHE 199 N 0.64 0.64 -0.79 3.99 3.57 -1.14 -1.65 116.94 122.20 1pkl h PHE 199 Ca 0.13 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1pkl h PHE 199 Cb 0.41 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1pkl h PHE 199 CO 0.02 0.72 0.51 0.78 -2.23 0.00 0.00 178.31 178.10 1pkl h GLY 200 N 0.38 1.14 0.97 2.40 0.00 -0.62 -0.23 103.07 107.11 1pkl h GLY 200 Ca 0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1pkl h GLY 200 CO 0.02 0.34 0.08 -2.08 0.00 0.00 0.00 176.54 174.90 1pkl h VAL 201 N 1.00 1.25 -0.34 4.60 2.07 -1.08 -1.39 116.25 122.36 1pkl h VAL 201 Ca 0.31 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1pkl h VAL 201 Cb -0.01 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1pkl h VAL 201 CO -0.10 0.32 0.00 -0.33 0.02 0.00 0.00 177.57 177.48 1pkl h GLU 202 N 0.64 0.52 -0.01 1.57 5.08 -0.70 -2.15 114.58 119.53 1pkl h GLU 202 Ca 0.14 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1pkl h GLU 202 Cb 0.38 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pkl h GLU 202 CO 0.01 0.54 -0.13 1.04 -1.00 0.00 0.00 179.01 179.47 1pkl n GLN 203 N -4.29 1.07 -3.06 2.33 1.13 -0.15 -4.98 117.38 109.43 1pkl n GLN 203 Ca 0.01 -0.56 -0.13 0.00 -1.94 0.00 0.00 57.00 54.39 1pkl n GLN 203 Cb 0.24 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.15 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 1.26 0.10 3.75 1.08 0.00 -0.58 -5.02 105.19 105.79 1pkl n GLY 204 Ca 0.15 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.18 2.92 0.00 1.61 -7.23 -0.88 -4.97 120.40 108.67 1pkl s VAL 205 Ca 0.28 0.39 0.10 0.00 -1.81 0.00 0.00 61.98 60.94 1pkl s VAL 205 Cb -0.12 -2.87 -0.23 0.00 0.56 0.00 0.00 36.38 33.72 1pkl s VAL 205 CO 0.41 -0.30 0.83 0.44 -0.31 0.00 0.00 175.10 176.17 1pkl h ASP 206 N -0.47 0.04 -5.11 4.85 3.32 -1.58 -3.46 116.42 114.01 1pkl h ASP 206 Ca -0.46 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 1pkl h ASP 206 Cb 1.26 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 1pkl h ASP 206 CO 0.51 1.05 -0.05 0.00 -1.72 0.00 0.00 179.24 179.03 1pkl s MET 207 N -2.63 1.26 -0.06 3.56 0.23 -1.14 -1.95 119.30 118.56 1pkl s MET 207 Ca -0.04 -0.87 0.06 0.00 -1.03 0.00 0.00 55.69 53.81 1pkl s MET 207 Cb 0.08 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.86 1pkl s MET 207 CO 0.82 -0.51 -0.25 0.42 -2.03 0.00 0.00 175.02 173.47 1pkl s ILE 208 N -3.87 2.04 -0.76 3.16 -1.09 0.66 -1.76 121.20 119.59 1pkl s ILE 208 Ca 0.09 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.34 1pkl s ILE 208 Cb 0.00 -1.73 0.20 0.00 -1.58 0.00 0.00 42.46 39.35 1pkl s ILE 208 CO -0.05 0.57 0.67 -0.36 -1.23 0.00 0.00 174.94 174.54 1pkl s PHE 209 N -0.09 3.65 -0.27 3.97 0.08 -0.55 -0.16 117.98 124.60 1pkl s PHE 209 Ca -0.06 -2.15 -0.29 0.00 0.12 0.00 0.00 56.93 54.56 1pkl s PHE 209 Cb -0.14 -3.66 -0.01 0.00 -0.57 0.00 0.00 43.02 38.63 1pkl s PHE 209 CO 0.04 -0.95 1.54 0.00 -0.10 0.00 0.00 175.22 175.75 1pkl s ALA 210 N 0.17 3.23 0.42 5.36 0.00 0.18 -1.64 121.76 129.47 1pkl s ALA 210 Ca 0.17 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 1pkl s ALA 210 Cb -0.14 -3.86 -0.08 0.00 0.00 0.00 0.00 23.12 19.04 1pkl s ALA 210 CO -0.07 -2.02 1.09 -1.12 0.00 0.00 0.00 175.76 173.64 1pkl s SER 211 N 4.04 6.56 -1.44 0.00 0.01 -1.26 -1.04 113.70 120.57 1pkl s SER 211 Ca 0.67 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 60.05 1pkl s SER 211 Cb -0.21 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.45 1pkl s SER 211 CO 0.29 -0.64 0.51 0.49 0.41 0.00 0.00 173.24 174.30 1pkl n PHE 212 N -0.19 -1.71 -2.49 2.43 3.72 -1.24 -4.77 117.46 113.20 1pkl n PHE 212 Ca 0.06 0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 57.80 1pkl n PHE 212 Cb 0.49 -3.73 -0.03 0.00 -0.94 0.00 0.00 39.48 35.28 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 -3.83 4.35 -0.05 4.37 -1.09 -1.10 -4.91 121.20 118.95 1pkl s ILE 213 Ca 0.12 1.66 0.09 0.00 -2.23 0.00 0.00 60.65 60.29 1pkl s ILE 213 Cb -0.06 -4.07 -0.13 0.00 -1.58 0.00 0.00 42.46 36.62 1pkl s ILE 213 CO 0.88 -0.03 0.12 0.54 -1.23 0.00 0.00 174.94 175.23 1pkl n ARG 214 N 5.44 1.40 -4.11 2.79 1.74 -1.26 -4.19 116.66 118.47 1pkl n ARG 214 Ca 0.11 -0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1pkl n ARG 214 Cb 0.46 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.57 1pkl n ARG 214 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pkl s SER 215 N -3.63 0.26 0.36 0.55 0.01 -1.26 -4.24 113.70 105.76 1pkl s SER 215 Ca -0.04 -1.15 0.18 0.00 1.31 0.00 0.00 55.95 56.25 1pkl s SER 215 Cb 0.05 0.32 0.65 0.00 0.21 0.00 0.00 66.02 67.24 1pkl s SER 215 CO 0.39 -0.76 1.72 0.00 0.41 0.00 0.00 173.24 175.01 1pkl h ALA 216 N 2.81 1.00 -0.40 1.44 0.00 -1.87 -2.68 119.26 119.56 1pkl h ALA 216 Ca -0.34 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.11 1pkl h ALA 216 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1pkl h ALA 216 CO 0.57 0.50 -0.15 1.49 0.00 0.00 0.00 179.25 181.66 1pkl h GLU 217 N 0.00 0.74 -0.55 0.00 4.81 -1.96 -2.73 114.58 114.89 1pkl h GLU 217 Ca -0.00 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1pkl h GLU 217 Cb 0.91 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1pkl h GLU 217 CO 0.05 0.85 0.37 1.96 -0.73 0.00 0.00 179.01 181.51 1pkl h GLN 218 N 0.66 0.70 -0.75 1.92 4.20 -1.89 -0.86 115.11 119.09 1pkl h GLN 218 Ca 0.11 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1pkl h GLN 218 Cb 0.62 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1pkl h GLN 218 CO 0.04 0.47 0.30 0.28 -0.67 0.00 0.00 178.83 179.25 1pkl h VAL 219 N 0.73 1.25 -0.32 -0.54 2.07 -1.52 -1.82 116.25 116.09 1pkl h VAL 219 Ca 0.21 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1pkl h VAL 219 Cb -0.05 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1pkl h VAL 219 CO -0.05 0.32 0.10 1.23 0.02 0.00 0.00 177.57 179.19 1pkl h GLY 220 N 1.13 0.48 1.55 2.17 0.00 -1.11 -1.25 103.07 106.04 1pkl h GLY 220 Ca 0.25 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1pkl h GLY 220 CO -0.02 0.22 -0.30 -0.55 0.00 0.00 0.00 176.54 175.89 1pkl h ASP 221 N 0.45 0.53 -0.33 0.19 3.32 -0.91 -1.82 116.42 117.84 1pkl h ASP 221 Ca 0.11 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 1pkl h ASP 221 Cb 0.14 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pkl h ASP 221 CO -0.01 0.81 -0.46 0.58 -1.72 0.00 0.00 179.24 178.44 1pkl h VAL 222 N 0.45 1.27 -0.34 -1.35 2.07 -0.90 -1.66 116.25 115.79 1pkl h VAL 222 Ca 0.06 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 65.95 1pkl h VAL 222 Cb 0.75 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1pkl h VAL 222 CO 0.06 0.54 0.21 -0.09 0.02 0.00 0.00 177.57 178.31 1pkl h ARG 223 N 0.70 0.42 -0.84 1.57 9.65 -1.00 -1.63 114.38 123.26 1pkl h ARG 223 Ca 0.04 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1pkl h ARG 223 Cb 1.06 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.51 1pkl h ARG 223 CO 0.11 0.28 0.43 0.87 2.80 0.00 0.00 179.97 184.46 1pkl h LYS 224 N 0.43 1.18 -0.09 0.20 1.57 -1.25 -2.07 116.57 116.54 1pkl h LYS 224 Ca 0.13 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1pkl h LYS 224 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1pkl h LYS 224 CO -0.05 0.89 -0.10 0.00 -0.57 0.00 0.00 179.45 179.62 1pkl h ALA 225 N 1.23 1.66 0.00 3.86 0.00 -0.83 -0.96 119.26 124.22 1pkl h ALA 225 Ca 0.29 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 225 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pkl h ALA 225 CO -0.04 0.25 -0.42 -0.07 0.00 0.00 0.00 179.25 178.97 1pkl h LEU 226 N 0.13 0.00 0.00 0.00 3.38 -0.69 -3.41 115.31 114.73 1pkl h LEU 226 Ca 0.03 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.11 1pkl h LEU 226 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1pkl h LEU 226 CO 0.02 0.42 -0.14 0.61 0.09 0.00 0.00 178.44 179.43 1pkl n GLY 227 N 0.91 -1.89 0.20 0.83 0.00 -0.37 -3.32 105.19 101.56 1pkl n GLY 227 Ca 0.01 -1.31 0.05 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 -2.86 132.00 129.00 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 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1pkl h PRO 228 CO 0.00 0.33 0.00 1.63 -0.23 0.00 0.00 178.00 179.74 1pkl n LYS 229 N -3.89 0.01 -0.58 0.86 5.02 -1.26 -3.29 118.16 115.04 1pkl n LYS 229 Ca -0.02 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1pkl n LYS 229 Cb 0.40 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.09 5.12 0.28 0.72 0.00 -1.08 -4.76 105.19 106.55 1pkl n GLY 230 Ca 0.06 -1.29 0.16 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 0.93 0.00 -0.02 1.61 0.11 -1.58 -2.98 114.38 112.46 1pkl h ARG 231 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1pkl h ARG 231 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1pkl h ARG 231 CO 0.02 0.07 -0.12 -0.25 0.10 0.00 0.00 179.97 179.80 1pkl n ASP 232 N -3.38 2.42 -4.74 0.08 8.00 -1.26 -4.93 116.55 112.74 1pkl n ASP 232 Ca -0.01 -1.74 -0.41 0.00 0.71 0.00 0.00 54.79 53.34 1pkl n ASP 232 Cb 0.22 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.13 4.41 0.30 0.53 1.01 -1.13 -5.00 121.20 119.19 1pkl s ILE 233 Ca 0.28 2.02 -0.24 0.00 0.00 0.00 0.00 60.65 62.70 1pkl s ILE 233 Cb 0.20 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 1pkl s ILE 233 CO 0.38 0.38 0.89 -0.04 0.00 0.00 0.00 174.94 176.54 1pkl s MET 234 N -0.35 4.50 -0.37 2.79 -1.94 -0.82 -4.93 119.30 118.18 1pkl s MET 234 Ca 0.44 1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 55.60 1pkl s MET 234 Cb -0.24 -2.81 0.08 0.00 2.01 0.00 0.00 34.83 33.88 1pkl s MET 234 CO 0.30 0.30 0.14 0.42 -0.01 0.00 0.00 175.02 176.17 1pkl s ILE 235 N -1.60 3.34 -0.35 2.53 1.01 -1.26 -0.24 121.20 124.62 1pkl s ILE 235 Ca 0.49 -1.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 1pkl s ILE 235 Cb -0.18 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1pkl s ILE 235 CO 0.23 -0.45 0.43 -0.63 0.00 0.00 0.00 174.94 174.52 1pkl s ILE 236 N 1.23 5.10 -0.18 2.92 -1.09 0.77 -1.20 121.20 128.74 1pkl s ILE 236 Ca 0.03 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.31 1pkl s ILE 236 Cb -0.22 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1pkl s ILE 236 CO -0.02 -0.17 0.89 0.00 -1.23 0.00 0.00 174.94 174.41 1pkl s LYS 238 N 2.38 3.93 -0.46 0.00 1.02 -0.20 -0.82 119.74 125.59 1pkl s LYS 238 Ca 0.40 0.66 -0.21 0.00 0.02 0.00 0.00 55.97 56.83 1pkl s LYS 238 Cb -0.16 -3.76 0.03 0.00 -0.52 0.00 0.00 37.83 33.42 1pkl s LYS 238 CO 0.12 -0.81 0.70 0.42 -0.92 0.00 0.00 175.35 174.86 1pkl s ILE 239 N 3.23 4.75 0.00 2.17 -1.09 -0.42 -2.70 121.20 127.14 1pkl s ILE 239 Ca 0.36 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1pkl s ILE 239 Cb -0.13 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1pkl s ILE 239 CO 0.15 -0.72 0.61 -0.62 -1.23 0.00 0.00 174.94 173.13 1pkl n GLU 240 N 6.48 0.00 -4.05 2.79 1.02 -1.26 -2.89 120.64 122.73 1pkl n GLU 240 Ca -0.01 -0.73 -0.12 0.00 -0.02 0.00 0.00 57.16 56.27 1pkl n GLU 240 Cb 0.47 -0.99 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.24 0.45 0.45 1.62 2.20 -1.26 -3.26 114.94 114.90 1pkl s ASN 241 Ca 0.00 -1.27 0.11 0.00 -0.94 0.00 0.00 52.86 50.77 1pkl s ASN 241 Cb 0.00 0.63 1.03 0.00 -2.00 0.00 0.00 41.25 40.90 1pkl s ASN 241 CO 0.00 -1.23 2.08 1.12 -2.94 0.00 0.00 177.10 176.12 1pkl h HIS 242 N 2.19 0.25 -0.40 1.54 2.07 -1.93 -2.43 115.15 116.44 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 1.24 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 1pkl h HIS 242 CO 1.02 0.19 -0.13 1.96 -3.07 0.00 0.00 177.93 177.89 1pkl h GLN 243 N 0.26 0.80 -0.73 5.12 4.20 -1.94 -0.01 115.11 122.83 1pkl h GLN 243 Ca 0.07 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1pkl h GLN 243 Cb 0.03 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1pkl h GLN 243 CO -0.01 0.95 0.41 0.78 -0.67 0.00 0.00 178.83 180.29 1pkl h GLY 244 N 0.62 1.06 1.06 3.46 0.00 -1.61 0.08 103.07 107.73 1pkl h GLY 244 Ca 0.10 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 1pkl h GLY 244 CO 0.05 0.44 -0.42 -2.08 0.00 0.00 0.00 176.54 174.53 1pkl h VAL 245 N 1.01 1.29 -0.09 4.60 2.07 -1.18 -2.15 116.25 121.79 1pkl h VAL 245 Ca 0.26 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1pkl h VAL 245 Cb -0.00 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1pkl h VAL 245 CO -0.04 0.52 0.03 1.56 0.02 0.00 0.00 177.57 179.65 1pkl h GLN 246 N 0.56 0.14 -0.77 1.57 4.20 -0.49 -2.97 115.11 117.36 1pkl h GLN 246 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pkl h GLN 246 Cb 1.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1pkl h GLN 246 CO 0.10 0.30 0.00 0.09 -0.67 0.00 0.00 178.83 178.65 1pkl n ASN 247 N -4.90 2.98 -0.32 1.46 3.02 -0.03 -4.54 115.26 112.93 1pkl n ASN 247 Ca -0.06 -2.37 0.09 0.00 -0.03 0.00 0.00 54.58 52.21 1pkl n ASN 247 Cb 0.14 -0.55 0.26 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.79 0.75 -0.48 2.41 6.09 -1.22 -1.85 117.51 125.01 1pkl h ILE 248 Ca 0.00 -0.25 0.01 0.00 -1.37 0.00 0.00 64.86 63.25 1pkl h ILE 248 Cb 1.09 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.32 1pkl h ILE 248 CO 0.20 0.13 0.31 0.44 -3.07 0.00 0.00 178.15 176.16 1pkl h ASP 249 N 0.72 0.52 0.32 2.19 3.32 -1.86 -0.56 116.42 121.08 1pkl h ASP 249 Ca 0.51 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.38 1pkl h ASP 249 Cb 0.72 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1pkl h ASP 249 CO -0.36 0.38 -0.69 0.77 -1.72 0.00 0.00 179.24 177.62 1pkl h SER 250 N 0.62 0.38 -0.28 6.45 4.64 -1.80 -2.44 113.55 121.13 1pkl h SER 250 Ca 0.18 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1pkl h SER 250 Cb -0.05 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1pkl h SER 250 CO -0.05 0.96 -0.01 0.40 -0.87 0.00 0.00 176.83 177.26 1pkl h ILE 251 N 0.23 1.26 -0.80 0.95 2.04 -1.13 -2.49 117.51 117.57 1pkl h ILE 251 Ca -0.02 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1pkl h ILE 251 Cb 1.24 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1pkl h ILE 251 CO 0.11 0.30 0.48 0.40 0.00 0.00 0.00 178.15 179.44 1pkl h ILE 252 N 0.27 1.22 -0.53 -0.67 2.04 -1.10 -0.12 117.51 118.62 1pkl h ILE 252 Ca 0.08 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1pkl h ILE 252 Cb 0.44 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1pkl h ILE 252 CO 0.02 0.23 0.25 -0.08 0.00 0.00 0.00 178.15 178.56 1pkl h GLU 253 N 1.10 0.46 0.00 2.37 4.57 -1.20 -3.12 114.58 118.76 1pkl h GLU 253 Ca 0.29 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.29 1pkl h GLU 253 Cb -0.05 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1pkl h GLU 253 CO -0.05 0.31 -1.19 0.93 -1.18 0.00 0.00 179.01 177.82 1pkl h GLU 254 N 0.48 0.00 -7.48 1.92 4.39 -1.18 -3.48 114.58 109.23 1pkl h GLU 254 Ca 0.24 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.48 1pkl h GLU 254 Cb 0.18 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.95 1pkl h GLU 254 CO -0.19 0.33 0.28 -1.54 -1.16 0.00 0.00 179.01 176.74 1pkl s SER 255 N -5.92 3.93 0.00 1.42 1.04 -0.08 -4.97 113.70 109.12 1pkl s SER 255 Ca -0.01 0.13 0.17 0.00 0.48 0.00 0.00 55.95 56.71 1pkl s SER 255 Cb 0.08 -0.43 0.22 0.00 0.10 0.00 0.00 66.02 66.00 1pkl s SER 255 CO 0.80 -2.18 1.13 0.47 0.98 0.00 0.00 173.24 174.44 1pkl n ASP 256 N -3.27 2.67 0.00 7.02 8.00 -0.34 -4.93 116.55 125.70 1pkl n ASP 256 Ca 0.13 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1pkl n ASP 256 Cb 0.60 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.98 -0.61 3.01 0.44 0.00 -1.22 -4.17 105.19 103.62 1pkl n GLY 257 Ca 0.12 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 0.20 -0.12 -0.61 -1.09 -0.74 -1.66 121.20 115.19 1pkl s ILE 258 Ca 0.00 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 1pkl s ILE 258 Cb 0.00 -0.46 0.02 0.00 -1.58 0.00 0.00 42.46 40.44 1pkl s ILE 258 CO 0.00 -0.53 -0.13 -0.32 -1.23 0.00 0.00 174.94 172.73 1pkl s MET 259 N -1.74 2.07 -0.71 2.79 -2.45 0.00 -1.43 119.30 117.82 1pkl s MET 259 Ca -0.12 -0.49 -0.22 0.00 -1.25 0.00 0.00 55.69 53.61 1pkl s MET 259 Cb -0.08 -1.85 0.08 0.00 1.25 0.00 0.00 34.83 34.23 1pkl s MET 259 CO -0.02 -0.14 1.00 0.08 1.05 0.00 0.00 175.02 177.00 1pkl s VAL 260 N 1.22 4.38 -1.12 10.11 1.01 0.29 -1.30 120.40 134.99 1pkl s VAL 260 Ca -0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 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 0.00 175.10 175.04 1pkl s ALA 261 N 3.85 3.27 0.17 5.51 0.00 -1.14 -1.57 121.76 131.86 1pkl s ALA 261 Ca 0.24 -2.76 -0.14 0.00 0.00 0.00 0.00 51.96 49.29 1pkl s ALA 261 Cb -0.15 -4.38 0.14 0.00 0.00 0.00 0.00 23.12 18.73 1pkl s ALA 261 CO 0.06 -3.23 1.71 0.00 0.00 0.00 0.00 175.76 174.31 1pkl h ARG 262 N 8.46 0.19 -0.65 0.00 -0.00 -1.86 -1.30 114.38 119.22 1pkl h ARG 262 Ca 0.28 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.71 1pkl h ARG 262 Cb 0.95 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.85 1pkl h ARG 262 CO 1.33 0.12 0.24 0.78 0.00 0.00 0.00 179.97 182.45 1pkl h GLY 263 N 0.19 1.04 1.25 0.04 0.00 -1.90 0.63 103.07 104.32 1pkl h GLY 263 Ca 0.22 -0.55 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 1pkl h GLY 263 CO -0.31 0.52 -0.76 -0.55 0.00 0.00 0.00 176.54 175.45 1pkl h ASP 264 N 0.94 0.88 0.09 0.19 3.32 -1.81 -2.97 116.42 117.06 1pkl h ASP 264 Ca 0.22 -0.57 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 1pkl h ASP 264 Cb 0.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1pkl h ASP 264 CO -0.02 1.36 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.56 1pkl h LEU 265 N 0.51 0.25 -0.68 1.55 3.38 -1.05 -2.60 115.31 116.67 1pkl h LEU 265 Ca -0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pkl h LEU 265 Cb 1.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1pkl h LEU 265 CO 0.15 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1pkl n GLY 266 N -0.61 -1.27 0.29 0.83 0.00 0.20 -2.33 105.19 102.29 1pkl n GLY 266 Ca -0.01 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 1.23 0.00 1.61 2.07 -1.42 -3.33 116.25 116.42 1pkl h VAL 267 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1pkl h VAL 267 Cb 0.36 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1pkl h VAL 267 CO 0.00 0.28 -0.04 -1.84 0.02 0.00 0.00 177.57 175.99 1pkl n GLU 268 N -4.43 1.61 -3.75 1.57 0.28 -1.18 -4.91 120.64 109.83 1pkl n GLU 268 Ca 0.05 -2.03 -0.14 0.00 -0.16 0.00 0.00 57.16 54.88 1pkl n GLU 268 Cb 0.15 -1.22 -0.15 0.00 1.43 0.00 0.00 31.44 31.65 1pkl n GLU 268 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1pkl s ILE 269 N -1.95 -0.05 0.44 3.84 1.01 -0.99 -4.58 121.20 118.92 1pkl s ILE 269 Ca 0.18 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.79 1pkl s ILE 269 Cb 0.16 -0.22 -0.11 0.00 0.01 0.00 0.00 42.46 42.31 1pkl s ILE 269 CO 0.02 0.08 0.84 -2.65 0.00 0.00 0.00 174.94 173.22 1pkl n PRO 270 N 4.21 1.02 -0.16 2.79 -0.02 -1.26 -4.32 135.00 137.26 1pkl n PRO 270 Ca -0.27 0.37 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 1pkl n PRO 270 Cb 0.51 -1.85 0.06 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.17 0.52 0.00 3.55 0.00 -1.96 -0.56 119.26 121.99 1pkl h ALA 271 Ca -0.43 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pkl h ALA 271 Cb 1.36 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1pkl h ALA 271 CO 0.54 -0.35 -0.01 1.05 0.00 0.00 0.00 179.25 180.48 1pkl h GLU 272 N 0.17 0.00 0.10 0.00 9.09 -2.01 -1.23 114.58 120.70 1pkl h GLU 272 Ca 0.25 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.40 1pkl h GLU 272 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1pkl h GLU 272 CO -0.38 0.01 -1.19 0.87 0.05 0.00 0.00 179.01 178.37 1pkl h LYS 273 N 0.00 0.21 -0.46 1.06 1.57 -1.48 -3.19 116.57 114.28 1pkl h LYS 273 Ca -0.00 -0.36 -0.05 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 32.45 1pkl h LYS 273 CO 0.00 1.17 0.09 0.28 -0.57 0.00 0.00 179.45 180.42 1pkl h VAL 274 N 0.06 1.21 -0.01 0.50 2.07 -0.26 0.73 116.25 120.56 1pkl h VAL 274 Ca -0.11 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1pkl h VAL 274 Cb 1.93 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1pkl h VAL 274 CO 0.19 0.29 0.01 0.58 0.02 0.00 0.00 177.57 178.65 1pkl h VAL 275 N 0.69 1.01 -0.38 2.57 2.07 -1.45 0.89 116.25 121.64 1pkl h VAL 275 Ca 0.15 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.57 1pkl h VAL 275 Cb 0.30 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1pkl h VAL 275 CO 0.00 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 178.07 1pkl h VAL 276 N 0.01 1.25 -0.75 2.57 2.07 -1.44 -2.59 116.25 117.36 1pkl h VAL 276 Ca 0.00 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1pkl h VAL 276 Cb 0.00 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1pkl h VAL 276 CO -0.00 0.37 0.27 0.00 0.02 0.00 0.00 177.57 178.23 1pkl h ALA 277 N 1.27 1.06 -0.70 1.67 0.00 -0.46 -1.80 119.26 120.30 1pkl h ALA 277 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 277 Cb 0.55 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1pkl h ALA 277 CO 0.03 0.65 0.44 0.37 0.00 0.00 0.00 179.25 180.75 1pkl h GLN 278 N 1.10 0.84 -0.53 0.00 4.15 -0.45 0.23 115.11 120.46 1pkl h GLN 278 Ca 0.25 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 1pkl h GLN 278 Cb 0.25 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1pkl h GLN 278 CO -0.02 0.56 0.20 0.87 -1.93 0.00 0.00 178.83 178.51 1pkl h LYS 279 N 0.87 0.79 0.18 1.69 1.57 -1.17 -1.67 116.57 118.83 1pkl h LYS 279 Ca 0.28 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1pkl h LYS 279 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1pkl h LYS 279 CO -0.10 0.70 -0.09 0.82 -0.57 0.00 0.00 179.45 180.21 1pkl h ILE 280 N 0.71 0.92 -0.70 1.86 2.04 -0.87 -2.02 117.51 119.44 1pkl h ILE 280 Ca 0.17 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1pkl h ILE 280 Cb 0.21 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1pkl h ILE 280 CO -0.01 0.12 0.33 -0.07 0.00 0.00 0.00 178.15 178.51 1pkl h LEU 281 N -0.49 0.91 -0.31 1.44 3.38 -0.93 -1.21 115.31 118.09 1pkl h LEU 281 Ca -0.02 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1pkl h LEU 281 Cb 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1pkl h LEU 281 CO 0.04 0.78 -0.07 0.40 0.09 0.00 0.00 178.44 179.68 1pkl h ILE 282 N 1.00 1.28 -0.64 1.22 2.04 -1.31 -2.14 117.51 118.96 1pkl h ILE 282 Ca 0.24 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 1pkl h ILE 282 Cb 0.11 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1pkl h ILE 282 CO -0.03 0.36 0.15 0.28 0.00 0.00 0.00 178.15 178.90 1pkl h SER 283 N 0.37 0.96 -0.65 1.72 0.02 -1.08 -0.61 113.55 114.29 1pkl h SER 283 Ca 0.08 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1pkl h SER 283 Cb 0.56 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1pkl h SER 283 CO 0.03 0.93 0.16 0.11 -1.14 0.00 0.00 176.83 176.92 1pkl h LYS 284 N 0.97 1.06 -0.29 3.45 1.57 -1.16 -1.74 116.57 120.44 1pkl h LYS 284 Ca 0.20 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1pkl h LYS 284 Cb 0.35 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1pkl h LYS 284 CO 0.00 0.94 -0.45 0.00 -0.57 0.00 0.00 179.45 179.38 1pkl h ASN 286 N 0.60 0.16 -0.54 0.00 -0.26 -0.87 0.03 115.58 114.70 1pkl h ASN 286 Ca 0.04 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.73 1pkl h ASN 286 Cb 1.01 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 38.22 1pkl h ASN 286 CO 0.10 0.12 0.16 0.58 -1.06 0.00 0.00 177.43 177.32 1pkl h VAL 287 N 0.22 1.23 0.00 2.81 2.07 -1.25 -2.43 116.25 118.90 1pkl h VAL 287 Ca 0.08 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1pkl h VAL 287 Cb 0.01 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1pkl h VAL 287 CO -0.05 0.31 -0.25 0.00 0.02 0.00 0.00 177.57 177.60 1pkl h ALA 288 N 1.31 1.04 0.00 1.67 0.00 -0.73 -3.47 119.26 119.07 1pkl h ALA 288 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pkl h ALA 288 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pkl h ALA 288 CO -0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1pkl n GLY 289 N 0.10 0.62 3.24 0.00 0.00 -0.05 -5.07 105.19 104.02 1pkl n GLY 289 Ca -0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.00 1.88 0.45 1.61 1.02 -0.94 -4.78 119.74 115.99 1pkl s LYS 290 Ca 0.00 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 54.96 1pkl s LYS 290 Cb 0.00 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1pkl s LYS 290 CO 0.00 0.45 1.10 -0.35 -0.92 0.00 0.00 175.35 175.63 1pkl n PRO 291 N 2.62 1.48 -4.15 -1.68 -0.04 -1.26 -4.46 135.00 127.51 1pkl n PRO 291 Ca -0.16 0.53 -0.19 0.00 -0.04 0.00 0.00 63.50 63.64 1pkl n PRO 291 Cb 0.52 -2.19 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 1pkl n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pkl s VAL 292 N -1.29 0.49 -0.17 0.52 0.11 -1.26 -1.80 120.40 117.00 1pkl s VAL 292 Ca 0.65 -0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1pkl s VAL 292 Cb -0.51 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1pkl s VAL 292 CO 0.55 0.20 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.86 1pkl s ILE 293 N 0.75 3.84 -0.25 7.04 1.01 -0.52 -1.32 121.20 131.75 1pkl s ILE 293 Ca -0.10 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1pkl s ILE 293 Cb -0.13 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1pkl s ILE 293 CO 0.00 0.47 0.72 0.00 0.00 0.00 0.00 174.94 176.14 1pkl n ALA 295 N 5.87 1.69 -2.64 0.00 0.00 -0.61 -1.98 120.51 122.86 1pkl n ALA 295 Ca 0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.60 1pkl n ALA 295 Cb 0.48 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.29 3.57 -1.26 0.00 -4.23 -1.26 -4.56 115.64 105.62 1pkl s THR 296 Ca -0.17 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 58.52 1pkl s THR 296 Cb 0.05 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1pkl s THR 296 CO 0.35 -0.30 0.62 0.00 -0.54 0.00 0.00 174.62 174.76 1pkl n GLN 297 N -1.08 -2.04 -3.94 3.99 6.02 -1.26 -4.72 117.38 114.36 1pkl n GLN 297 Ca -0.05 0.40 -0.35 0.00 -0.01 0.00 0.00 57.00 56.98 1pkl n GLN 297 Cb 0.59 -4.15 -0.11 0.00 1.02 0.00 0.00 30.24 27.60 1pkl n GLN 297 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1pkl s MET 298 N -6.37 3.89 -1.43 -1.09 -1.94 -1.26 -4.37 119.30 106.73 1pkl s MET 298 Ca 0.27 -0.38 -0.12 0.00 -1.71 0.00 0.00 55.69 53.75 1pkl s MET 298 Cb -0.11 -3.26 0.09 0.00 2.01 0.00 0.00 34.83 33.57 1pkl s MET 298 CO 0.88 0.13 0.65 1.28 -0.01 0.00 0.00 175.02 177.95 1pkl n LEU 299 N 3.97 -1.78 -0.26 -0.03 4.77 -1.26 -4.84 117.00 117.57 1pkl n LEU 299 Ca -0.16 -0.59 -0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1pkl n LEU 299 Cb 0.52 -2.20 0.06 0.00 -2.33 0.00 0.00 43.42 39.47 1pkl n LEU 299 CO 0.34 0.24 0.67 -0.08 -1.33 0.00 0.00 177.39 177.23 1pkl h GLU 300 N -1.29 -0.05 0.00 3.23 4.81 -1.96 -1.69 114.58 117.63 1pkl h GLU 300 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1pkl h GLU 300 Cb 1.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1pkl h GLU 300 CO 0.61 -0.03 0.00 0.66 -0.73 0.00 0.00 179.01 179.52 1pkl h SER 301 N -0.05 0.00 -0.00 1.04 4.64 -1.93 -2.65 113.55 114.59 1pkl h SER 301 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 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 -0.78 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.41 1pkl n MET 302 N -2.53 1.01 0.09 4.77 2.81 -0.64 -1.76 117.12 120.88 1pkl n MET 302 Ca -0.02 -0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.78 1pkl n MET 302 Cb 0.05 -1.07 -0.01 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.03 1.52 0.00 2.03 2.02 -1.67 -3.38 112.91 113.46 1pkl h THR 303 Ca 0.00 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.48 1pkl h THR 303 Cb 0.07 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1pkl h THR 303 CO 0.00 0.78 -0.86 0.00 0.37 0.00 0.00 175.52 175.81 1pkl n TYR 304 N -3.62 0.00 -4.07 3.16 0.18 -1.19 0.30 117.16 111.91 1pkl n TYR 304 Ca -0.03 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.41 1pkl n TYR 304 Cb 0.81 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.70 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 -2.09 5.85 0.28 9.48 0.02 -0.72 -4.95 114.94 122.80 1pkl s ASN 305 Ca 0.00 0.24 0.24 0.00 -1.02 0.00 0.00 52.86 52.33 1pkl s ASN 305 Cb 0.00 -1.75 1.00 0.00 0.02 0.00 0.00 41.25 40.52 1pkl s ASN 305 CO 0.00 0.32 1.74 1.55 0.02 0.00 0.00 177.10 180.72 1pkl h PRO 306 N 4.41 0.00 -5.13 -0.60 0.13 -1.88 -3.37 132.00 125.57 1pkl h PRO 306 Ca -0.51 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 1pkl h PRO 306 Cb 1.19 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.03 1pkl h PRO 306 CO 0.61 0.00 -0.80 1.03 -0.23 0.00 0.00 178.00 178.61 1pkl s ARG 307 N -3.33 1.03 0.78 0.86 0.52 -1.26 -4.99 118.95 112.56 1pkl s ARG 307 Ca 0.04 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.72 1pkl s ARG 307 Cb 0.09 -0.99 0.11 0.00 0.52 0.00 0.00 34.95 34.68 1pkl s ARG 307 CO 0.42 0.27 1.10 -1.25 0.02 0.00 0.00 175.30 175.86 1pkl s PRO 308 N -0.29 1.72 0.61 3.54 0.04 -1.26 -4.62 135.00 134.74 1pkl s PRO 308 Ca 0.05 -0.40 -0.05 0.00 0.04 0.00 0.00 61.00 60.64 1pkl s PRO 308 Cb -0.05 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1pkl s PRO 308 CO -0.00 -1.58 0.91 0.95 0.04 0.00 0.00 177.00 177.31 1pkl s THR 309 N -3.41 3.26 0.32 1.26 -4.23 -1.26 -4.95 115.64 106.62 1pkl s THR 309 Ca 0.65 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1pkl s THR 309 Cb -0.08 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.65 1pkl s THR 309 CO 0.47 -0.32 1.91 -0.09 -0.54 0.00 0.00 174.62 176.05 1pkl h ARG 310 N -0.24 0.79 -0.18 3.99 1.12 -2.00 -2.42 114.38 115.44 1pkl h ARG 310 Ca -0.45 -0.11 -0.15 0.00 -1.11 0.00 0.00 59.98 58.16 1pkl h ARG 310 Cb 1.27 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.08 1pkl h ARG 310 CO 0.60 0.64 -0.53 0.00 -3.11 0.00 0.00 179.97 177.57 1pkl h ALA 311 N 1.47 0.74 -0.37 2.80 0.00 -2.00 -2.75 119.26 119.16 1pkl h ALA 311 Ca 0.19 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1pkl h ALA 311 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pkl h ALA 311 CO -0.02 0.68 -0.23 0.93 0.00 0.00 0.00 179.25 180.61 1pkl h GLU 312 N 0.40 0.74 -0.28 0.00 5.08 -1.85 -1.20 114.58 117.46 1pkl h GLU 312 Ca 0.01 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1pkl h GLU 312 Cb 1.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1pkl h GLU 312 CO 0.10 0.90 0.11 0.28 -1.00 0.00 0.00 179.01 179.40 1pkl h VAL 313 N 0.64 1.17 -0.27 3.13 2.07 -1.37 -2.43 116.25 119.19 1pkl h VAL 313 Ca 0.09 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1pkl h VAL 313 Cb 0.73 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1pkl h VAL 313 CO 0.06 0.18 -0.22 0.77 0.02 0.00 0.00 177.57 178.38 1pkl h SER 314 N 0.30 0.50 -0.76 0.57 4.64 -1.32 -1.93 113.55 115.55 1pkl h SER 314 Ca 0.09 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1pkl h SER 314 Cb 0.17 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1pkl h SER 314 CO -0.01 0.72 0.48 -0.78 -0.87 0.00 0.00 176.83 176.38 1pkl h ASP 315 N 0.45 0.89 -0.38 4.97 3.58 -1.03 0.12 116.42 125.02 1pkl h ASP 315 Ca 0.07 -0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1pkl h ASP 315 Cb 0.63 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1pkl h ASP 315 CO 0.04 0.67 -0.16 0.58 -2.88 0.00 0.00 179.24 177.50 1pkl h VAL 316 N 1.04 1.28 -0.24 2.25 2.07 -1.12 -2.39 116.25 119.14 1pkl h VAL 316 Ca 0.28 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1pkl h VAL 316 Cb -0.08 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1pkl h VAL 316 CO -0.06 0.42 0.11 0.00 0.02 0.00 0.00 177.57 178.07 1pkl h ALA 317 N 0.81 0.31 0.00 1.67 0.00 -0.96 -2.91 119.26 118.18 1pkl h ALA 317 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pkl h ALA 317 Cb 0.70 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1pkl h ALA 317 CO 0.05 -0.13 -0.12 -0.91 0.00 0.00 0.00 179.25 178.15 1pkl h ASN 318 N 0.26 0.00 -0.36 0.00 2.35 -0.71 -0.76 115.58 116.36 1pkl h ASN 318 Ca 0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1pkl h ASN 318 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1pkl h ASN 318 CO -0.01 0.12 -0.11 0.00 -1.65 0.00 0.00 177.43 175.77 1pkl h ALA 319 N 1.88 0.97 -0.15 -0.83 0.00 -1.23 0.15 119.26 120.05 1pkl h ALA 319 Ca -0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1pkl h ALA 319 Cb 0.43 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pkl h ALA 319 CO 0.02 0.61 -0.52 0.28 0.00 0.00 0.00 179.25 179.63 1pkl h VAL 320 N 0.72 1.33 -0.24 0.00 2.07 -1.23 -1.53 116.25 117.38 1pkl h VAL 320 Ca 0.12 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1pkl h VAL 320 Cb 0.60 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1pkl h VAL 320 CO 0.04 0.55 0.02 -0.26 0.02 0.00 0.00 177.57 177.94 1pkl h PHE 321 N 0.28 0.35 -0.27 1.57 0.04 -0.89 -1.33 116.94 116.69 1pkl h PHE 321 Ca -0.02 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 1pkl h PHE 321 Cb 1.15 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 1pkl h PHE 321 CO 0.10 0.35 -0.09 -0.91 -0.60 0.00 0.00 178.31 177.16 1pkl h ASN 322 N 0.35 0.42 0.00 2.17 -0.26 -0.58 -3.47 115.58 114.21 1pkl h ASN 322 Ca 0.08 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1pkl h ASN 322 Cb 0.20 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1pkl h ASN 322 CO 0.00 0.55 0.00 0.61 -1.06 0.00 0.00 177.43 177.53 1pkl n GLY 323 N -0.77 1.37 3.77 2.83 0.00 -0.50 -4.61 105.19 107.28 1pkl n GLY 323 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pkl n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl n ALA 324 N 0.00 2.19 0.02 4.61 0.00 -0.60 -4.92 120.51 121.80 1pkl n ALA 324 Ca 0.00 0.30 -0.18 0.00 0.00 0.00 0.00 53.44 53.56 1pkl n ALA 324 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 16.92 1pkl n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pkl h ASP 325 N 2.65 0.40 -3.56 0.00 5.19 -1.52 -3.45 116.42 116.13 1pkl h ASP 325 Ca -0.51 -0.89 -0.41 0.00 -0.62 0.00 0.00 57.03 54.60 1pkl h ASP 325 Cb 1.26 -0.13 -0.15 0.00 0.18 0.00 0.00 39.33 40.49 1pkl h ASP 325 CO 0.63 1.25 -0.73 0.00 -3.12 0.00 0.00 179.24 177.26 1pkl s VAL 327 N -2.90 1.54 0.13 0.00 -7.23 -0.33 -1.40 120.40 110.21 1pkl s VAL 327 Ca 0.19 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.31 1pkl s VAL 327 Cb -0.01 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1pkl s VAL 327 CO 0.04 0.18 -0.20 -0.32 -0.31 0.00 0.00 175.10 174.49 1pkl s MET 328 N -1.11 1.20 -0.09 4.82 1.75 -0.84 -1.65 119.30 123.38 1pkl s MET 328 Ca 0.06 -1.27 0.04 0.00 -1.25 0.00 0.00 55.69 53.27 1pkl s MET 328 Cb -0.08 -1.39 0.00 0.00 2.84 0.00 0.00 34.83 36.19 1pkl s MET 328 CO 0.01 0.31 -0.21 -0.51 -0.65 0.00 0.00 175.02 173.98 1pkl s LEU 329 N -2.21 1.97 0.00 4.11 1.43 -0.23 -4.50 118.68 119.25 1pkl s LEU 329 Ca 0.10 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1pkl s LEU 329 Cb -0.08 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1pkl s LEU 329 CO 0.05 0.13 0.00 -1.20 0.23 0.00 0.00 176.35 175.56 1pkl n SER 330 N 3.54 0.00 0.26 2.29 7.64 -1.26 -1.21 113.62 124.88 1pkl n SER 330 Ca -0.20 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.81 1pkl n SER 330 Cb 0.53 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.40 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 1.38 0.23 0.00 -1.96 -1.00 103.07 101.72 1pkl h GLY 331 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1pkl h GLY 331 CO 0.00 0.00 0.37 0.83 0.00 0.00 0.00 176.54 177.74 1pkl h GLU 332 N 0.00 0.67 0.00 4.80 3.07 -1.89 -0.42 114.58 120.81 1pkl h GLU 332 Ca -0.00 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.56 1pkl h GLU 332 Cb 0.43 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 1pkl h GLU 332 CO 0.02 0.44 -2.07 0.25 -1.40 0.00 0.00 179.01 176.25 1pkl n THR 333 N -4.46 0.97 -0.03 1.13 -2.24 -1.09 -3.43 114.28 105.13 1pkl n THR 333 Ca 0.06 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1pkl n THR 333 Cb 0.11 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.89 0.05 0.00 6.98 0.00 -0.81 -3.35 119.26 123.02 1pkl h ALA 334 Ca -0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1pkl h ALA 334 Cb 1.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1pkl h ALA 334 CO 0.02 -0.14 -0.38 0.36 0.00 0.00 0.00 179.25 179.11 1pkl n LYS 335 N -4.75 0.44 -1.79 0.00 2.85 -0.66 -1.99 118.16 112.26 1pkl n LYS 335 Ca -0.08 -1.62 -0.30 0.00 -1.05 0.00 0.00 58.31 55.26 1pkl n LYS 335 Cb 0.30 -0.81 0.06 0.00 -0.65 0.00 0.00 35.03 33.94 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 -1.71 1.62 0.09 2.58 0.00 -0.26 -4.93 107.32 104.72 1pkl s GLY 336 Ca 0.13 -0.33 0.23 0.00 0.00 0.00 0.00 44.72 44.75 1pkl s GLY 336 CO -0.00 0.07 1.03 1.17 0.00 0.00 0.00 173.10 175.36 1pkl n LYS 337 N -3.16 0.41 -3.12 2.90 4.81 0.15 -4.52 118.16 115.62 1pkl n LYS 337 Ca 0.07 0.03 -0.21 0.00 -0.87 0.00 0.00 58.31 57.32 1pkl n LYS 337 Cb 0.57 -1.66 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.20 1.41 -0.10 5.64 4.01 -1.26 -4.99 117.16 119.67 1pkl n TYR 338 Ca 0.01 -3.87 -0.09 0.00 -0.16 0.00 0.00 57.90 53.79 1pkl n TYR 338 Cb 0.48 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.29 -0.50 -0.72 0.11 -1.79 -1.99 132.00 129.88 1pkl h PRO 339 Ca 0.11 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1pkl h PRO 339 Cb 0.82 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1pkl h PRO 339 CO 0.60 -0.19 -0.18 -0.91 -0.21 0.00 0.00 178.00 177.11 1pkl h ASN 340 N -0.30 1.03 -0.38 -2.05 2.35 -1.93 -3.12 115.58 111.18 1pkl h ASN 340 Ca 0.15 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 1pkl h ASN 340 Cb 0.56 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1pkl h ASN 340 CO -0.52 1.18 0.06 -0.33 -1.65 0.00 0.00 177.43 176.16 1pkl h GLU 341 N 0.87 0.72 -0.16 0.81 3.07 -1.89 -0.78 114.58 117.22 1pkl h GLU 341 Ca 0.12 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1pkl h GLU 341 Cb 0.76 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1pkl h GLU 341 CO 0.06 0.70 -0.10 0.28 -1.40 0.00 0.00 179.01 178.54 1pkl h VAL 342 N 0.69 1.33 -0.46 3.13 2.07 -1.39 -0.75 116.25 120.86 1pkl h VAL 342 Ca 0.15 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1pkl h VAL 342 Cb 0.34 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1pkl h VAL 342 CO 0.01 0.35 0.25 0.58 0.02 0.00 0.00 177.57 178.78 1pkl h VAL 343 N 0.01 1.17 -0.43 2.57 2.07 -1.47 0.91 116.25 121.08 1pkl h VAL 343 Ca 0.03 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1pkl h VAL 343 Cb 0.60 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1pkl h VAL 343 CO 0.03 0.18 0.26 1.56 0.02 0.00 0.00 177.57 179.61 1pkl h GLN 344 N 0.60 0.58 -0.71 1.57 4.20 -1.10 -0.73 115.11 119.53 1pkl h GLN 344 Ca 0.16 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1pkl h GLN 344 Cb 0.06 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1pkl h GLN 344 CO -0.02 0.43 0.28 -0.92 -0.67 0.00 0.00 178.83 177.93 1pkl h TYR 345 N 0.56 1.08 -0.48 2.96 5.03 -0.82 -1.39 116.97 123.91 1pkl h TYR 345 Ca 0.15 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1pkl h TYR 345 Cb 0.00 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 1pkl h TYR 345 CO -0.03 0.83 0.25 1.98 -1.32 0.00 0.00 178.16 179.87 1pkl h MET 346 N 1.01 0.68 -0.76 1.82 4.05 -0.41 -1.50 114.93 119.82 1pkl h MET 346 Ca 0.24 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1pkl h MET 346 Cb 0.21 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 1pkl h MET 346 CO -0.02 0.55 0.43 0.00 0.23 0.00 0.00 176.91 178.10 1pkl h ALA 347 N 1.09 0.98 -0.94 0.39 0.00 -0.86 -1.73 119.26 118.18 1pkl h ALA 347 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 347 Cb 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1pkl h ALA 347 CO -0.02 0.48 0.58 -0.09 0.00 0.00 0.00 179.25 180.20 1pkl h ARG 348 N 1.05 1.27 -0.39 0.00 2.43 -0.79 -0.40 114.38 117.55 1pkl h ARG 348 Ca 0.27 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1pkl h ARG 348 Cb 0.02 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1pkl h ARG 348 CO -0.04 0.88 -0.31 0.82 -1.51 0.00 0.00 179.97 179.80 1pkl h ILE 349 N 1.29 1.28 -0.41 1.20 2.04 -0.92 -2.31 117.51 119.68 1pkl h ILE 349 Ca 0.34 -1.47 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1pkl h ILE 349 Cb -0.08 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1pkl h ILE 349 CO -0.07 0.49 -0.18 0.00 0.00 0.00 0.00 178.15 178.39 1pkl h LEU 351 N 0.69 0.53 -0.44 0.00 6.46 -1.03 -1.36 115.31 120.16 1pkl h LEU 351 Ca 0.10 -0.32 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 1pkl h LEU 351 Cb 0.68 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1pkl h LEU 351 CO 0.05 0.72 0.04 -0.08 -0.62 0.00 0.00 178.44 178.55 1pkl h GLU 352 N 0.32 0.75 -0.76 1.25 4.57 -1.29 -2.71 114.58 116.72 1pkl h GLU 352 Ca 0.08 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1pkl h GLU 352 Cb 0.46 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1pkl h GLU 352 CO 0.02 0.79 0.45 0.00 -1.18 0.00 0.00 179.01 179.09 1pkl h ALA 353 N 0.93 0.97 -0.59 2.92 0.00 -0.94 -2.84 119.26 119.71 1pkl h ALA 353 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 353 Cb 0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1pkl h ALA 353 CO 0.01 0.44 0.38 0.37 0.00 0.00 0.00 179.25 180.46 1pkl h GLN 354 N 1.04 0.76 -0.52 0.00 4.15 -1.12 -2.21 115.11 117.20 1pkl h GLN 354 Ca 0.27 -0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.80 1pkl h GLN 354 Cb -0.03 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1pkl h GLN 354 CO -0.05 0.50 0.38 0.66 -1.93 0.00 0.00 178.83 178.39 1pkl h SER 355 N 0.78 0.00 0.52 -0.69 4.64 -1.23 -1.21 113.55 116.37 1pkl h SER 355 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1pkl h SER 355 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1pkl h SER 355 CO -0.06 0.00 -1.12 0.00 -0.87 0.00 0.00 176.83 174.78 1pkl n ALA 356 N -2.64 3.11 -2.12 5.18 0.00 -0.95 -4.94 120.51 118.15 1pkl n ALA 356 Ca 0.10 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1pkl n ALA 356 Cb 0.60 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -4.33 4.38 -0.74 0.00 0.20 -0.46 -4.89 118.68 112.84 1pkl s LEU 357 Ca 0.01 2.36 -0.17 0.00 0.69 0.00 0.00 54.13 57.03 1pkl s LEU 357 Cb 0.13 -3.59 0.15 0.00 -0.43 0.00 0.00 46.19 42.45 1pkl s LEU 357 CO 0.81 -0.64 0.81 0.21 -0.29 0.00 0.00 176.35 177.24 1pkl s ASN 358 N 0.96 6.46 0.15 3.68 2.47 -1.26 -4.90 114.94 122.50 1pkl s ASN 358 Ca 0.63 -1.98 0.21 0.00 0.42 0.00 0.00 52.86 52.14 1pkl s ASN 358 Cb -0.37 -2.29 0.85 0.00 -1.45 0.00 0.00 41.25 37.98 1pkl s ASN 358 CO 0.32 -0.93 1.63 -0.62 -3.72 0.00 0.00 177.10 173.79 1pkl n GLU 359 N 5.61 0.12 0.11 0.43 1.02 -1.26 -2.69 120.64 123.98 1pkl n GLU 359 Ca 0.05 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.49 1pkl n GLU 359 Cb 0.45 -1.71 0.18 0.00 -0.02 0.00 0.00 31.44 30.33 1pkl n GLU 359 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1pkl h TYR 360 N 0.00 0.20 -0.38 -0.32 3.20 -1.90 -2.13 116.97 115.64 1pkl h TYR 360 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1pkl h TYR 360 Cb 0.35 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1pkl h TYR 360 CO 0.00 0.67 0.25 0.28 -1.64 0.00 0.00 178.16 177.72 1pkl h VAL 361 N 0.12 1.10 -0.03 1.81 2.07 -1.91 0.51 116.25 119.94 1pkl h VAL 361 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1pkl h VAL 361 Cb 1.00 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1pkl h VAL 361 CO 0.08 0.10 0.02 -0.26 0.02 0.00 0.00 177.57 177.52 1pkl h PHE 362 N 0.52 0.03 -0.22 1.57 -1.00 -1.63 -1.56 116.94 114.65 1pkl h PHE 362 Ca 0.14 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.97 1pkl h PHE 362 Cb -0.06 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.44 1pkl h PHE 362 CO -0.05 0.05 -0.09 0.35 -1.61 0.00 0.00 178.31 176.96 1pkl h PHE 363 N 0.01 -0.22 -0.63 -0.55 3.57 -1.06 -1.46 116.94 116.59 1pkl h PHE 363 Ca 0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1pkl h PHE 363 Cb 0.02 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1pkl h PHE 363 CO -0.07 -0.15 0.16 -0.97 -2.23 0.00 0.00 178.31 175.06 1pkl h ASN 364 N -0.06 0.96 -0.25 0.41 -0.00 -0.80 -1.37 115.58 114.46 1pkl h ASN 364 Ca 0.11 -0.23 -0.03 0.00 -0.00 0.00 0.00 56.30 56.16 1pkl h ASN 364 Cb 0.23 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 1pkl h ASN 364 CO -0.26 0.94 0.06 0.28 -0.00 0.00 0.00 177.43 178.45 1pkl h SER 365 N 0.93 0.39 -0.17 1.15 0.02 -1.13 -1.33 113.55 113.41 1pkl h SER 365 Ca 0.20 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1pkl h SER 365 Cb 0.35 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1pkl h SER 365 CO 0.00 0.52 -0.31 0.40 -1.14 0.00 0.00 176.83 176.30 1pkl h ILE 366 N 0.24 1.28 -0.25 3.27 2.04 -1.28 -2.59 117.51 120.23 1pkl h ILE 366 Ca 0.08 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 1pkl h ILE 366 Cb 0.29 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1pkl h ILE 366 CO 0.00 0.47 0.04 0.50 0.00 0.00 0.00 178.15 179.15 1pkl h LYS 367 N 0.57 0.41 0.00 2.37 3.64 -1.17 -2.92 116.57 119.47 1pkl h LYS 367 Ca 0.07 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1pkl h LYS 367 Cb 0.82 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1pkl h LYS 367 CO 0.07 0.55 0.00 0.87 -2.27 0.00 0.00 179.45 178.67 1pkl h LYS 368 N 0.22 0.00 0.00 1.90 1.57 -1.18 -2.91 116.57 116.17 1pkl h LYS 368 Ca 0.07 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1pkl h LYS 368 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1pkl h LYS 368 CO 0.01 0.00 -0.97 -0.07 -0.57 0.00 0.00 179.45 177.84 1pkl h LEU 369 N 0.00 0.00 -9.60 2.94 3.38 -1.31 -3.47 115.31 107.25 1pkl h LEU 369 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1pkl h LEU 369 Cb 0.45 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.27 1pkl h LEU 369 CO 0.00 0.62 0.88 0.00 0.09 0.00 0.00 178.44 180.02 1pkl n GLN 370 N -3.10 2.44 -2.86 1.13 1.13 -1.10 -4.97 117.38 110.05 1pkl n GLN 370 Ca -0.04 0.88 -0.40 0.00 -1.94 0.00 0.00 57.00 55.50 1pkl n GLN 370 Cb 0.82 -2.67 -0.06 0.00 0.11 0.00 0.00 30.24 28.44 1pkl n GLN 370 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1pkl s HIS 371 N 0.84 3.89 -0.04 1.08 5.65 -1.26 -5.06 115.29 120.39 1pkl s HIS 371 Ca 0.75 1.73 0.06 0.00 0.25 0.00 0.00 55.06 57.85 1pkl s HIS 371 Cb -0.59 -2.90 -0.02 0.00 -1.18 0.00 0.00 32.58 27.89 1pkl s HIS 371 CO 0.38 0.40 -0.23 0.42 -0.65 0.00 0.00 174.74 175.06 1pkl s ILE 372 N -0.76 2.28 0.41 0.89 1.01 -1.26 -3.39 121.20 120.37 1pkl s ILE 372 Ca 0.40 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 1pkl s ILE 372 Cb -0.24 -1.83 -0.08 0.00 0.01 0.00 0.00 42.46 40.32 1pkl s ILE 372 CO 0.28 0.58 1.21 -2.16 0.00 0.00 0.00 174.94 174.85 1pkl s PRO 373 N -0.42 3.99 0.40 2.79 0.04 -1.26 -5.19 135.00 135.35 1pkl s PRO 373 Ca 0.04 1.93 0.08 0.00 0.04 0.00 0.00 61.00 63.09 1pkl s PRO 373 Cb -0.12 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1pkl s PRO 373 CO 0.01 -0.40 0.25 0.00 0.04 0.00 0.00 177.00 176.90 1pkl s MET 374 N -2.31 2.38 0.73 4.56 0.23 -1.22 -5.12 119.30 118.54 1pkl s MET 374 Ca 0.58 -1.66 -0.11 0.00 -1.03 0.00 0.00 55.69 53.46 1pkl s MET 374 Cb -0.33 -2.17 0.03 0.00 -1.53 0.00 0.00 34.83 30.83 1pkl s MET 374 CO 0.41 -0.09 1.08 -1.54 -2.03 0.00 0.00 175.02 172.85 1pkl s SER 375 N -3.98 5.10 0.13 -1.18 1.04 -1.26 -4.85 113.70 108.71 1pkl s SER 375 Ca 0.43 1.39 -0.28 0.00 0.48 0.00 0.00 55.95 57.96 1pkl s SER 375 Cb -0.00 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 1pkl s SER 375 CO 0.25 -1.59 1.60 0.00 0.98 0.00 0.00 173.24 174.48 1pkl h ALA 376 N -0.82 -0.52 0.00 5.32 0.00 -2.00 -1.25 119.26 119.98 1pkl h ALA 376 Ca -0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1pkl h ALA 376 Cb 1.24 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1pkl h ALA 376 CO 0.60 -0.87 -0.24 0.38 0.00 0.00 0.00 179.25 179.11 1pkl h ASP 377 N -0.49 0.00 -0.14 0.00 3.04 -1.94 0.49 116.42 117.37 1pkl h ASP 377 Ca 0.07 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.84 1pkl h ASP 377 Cb 0.60 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.88 1pkl h ASP 377 CO -0.31 0.24 0.02 -0.08 -2.04 0.00 0.00 179.24 177.06 1pkl h GLU 378 N 0.00 0.24 -0.35 4.15 4.57 -1.82 -1.58 114.58 119.79 1pkl h GLU 378 Ca -0.00 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 1pkl h GLU 378 Cb 0.54 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1pkl h GLU 378 CO 0.03 0.43 -0.13 0.00 -1.18 0.00 0.00 179.01 178.16 1pkl h ALA 379 N 0.80 1.12 -0.40 2.92 0.00 -0.84 -2.77 119.26 120.10 1pkl h ALA 379 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1pkl h ALA 379 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pkl h ALA 379 CO 0.00 0.55 -0.27 0.28 0.00 0.00 0.00 179.25 179.81 1pkl h VAL 380 N 0.57 1.28 -0.06 0.00 2.07 -0.78 -2.27 116.25 117.05 1pkl h VAL 380 Ca 0.10 -1.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.06 1pkl h VAL 380 Cb 0.55 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1pkl h VAL 380 CO 0.03 0.48 -0.55 0.00 0.02 0.00 0.00 177.57 177.55 1pkl h SER 382 N 0.15 0.38 -0.68 0.00 4.64 -1.48 -2.43 113.55 114.12 1pkl h SER 382 Ca -0.00 -0.65 -0.02 0.00 -0.47 0.00 0.00 61.79 60.65 1pkl h SER 382 Cb 1.02 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.96 1pkl h SER 382 CO 0.08 0.97 0.36 0.28 -0.87 0.00 0.00 176.83 177.66 1pkl h SER 383 N -0.19 0.88 -0.47 4.97 0.02 -1.37 0.35 113.55 117.74 1pkl h SER 383 Ca -0.02 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1pkl h SER 383 Cb 0.96 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1pkl h SER 383 CO 0.06 0.72 0.23 0.00 -1.14 0.00 0.00 176.83 176.70 1pkl h ALA 384 N 1.42 0.61 0.00 3.77 0.00 -1.15 0.13 119.26 124.04 1pkl h ALA 384 Ca 0.25 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1pkl h ALA 384 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pkl h ALA 384 CO -0.04 0.17 -0.47 0.28 0.00 0.00 0.00 179.25 179.19 1pkl h VAL 385 N 0.62 1.08 -0.16 0.00 2.07 -1.02 -2.51 116.25 116.32 1pkl h VAL 385 Ca 0.16 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1pkl h VAL 385 Cb 0.12 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1pkl h VAL 385 CO -0.02 0.47 -0.01 -1.13 0.02 0.00 0.00 177.57 176.89 1pkl h ASN 386 N 0.00 0.29 -0.70 0.57 -0.00 0.30 -2.61 115.58 113.43 1pkl h ASN 386 Ca -0.00 -0.33 0.06 0.00 -0.00 0.00 0.00 56.30 56.03 1pkl h ASN 386 Cb 1.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 38.32 39.21 1pkl h ASN 386 CO 0.06 0.55 0.46 0.28 -0.00 0.00 0.00 177.43 178.78 1pkl h SER 387 N 0.02 0.63 -0.32 1.15 0.02 -0.57 0.08 113.55 114.56 1pkl h SER 387 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1pkl h SER 387 Cb 0.41 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1pkl h SER 387 CO 0.01 0.41 0.20 0.58 -1.14 0.00 0.00 176.83 176.89 1pkl h VAL 388 N 0.72 1.11 -0.40 2.27 2.07 -1.16 0.09 116.25 120.95 1pkl h VAL 388 Ca 0.30 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1pkl h VAL 388 Cb 0.26 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1pkl h VAL 388 CO -0.10 0.11 -0.21 1.88 0.02 0.00 0.00 177.57 179.26 1pkl h TYR 389 N 0.42 0.90 0.28 1.57 0.05 -0.91 0.12 116.97 119.40 1pkl h TYR 389 Ca 0.12 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 1pkl h TYR 389 Cb 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1pkl h TYR 389 CO -0.04 0.93 -0.14 0.93 -1.05 0.00 0.00 178.16 178.79 1pkl h GLU 390 N 0.69 -0.37 -0.01 4.88 5.08 -0.71 -3.18 114.58 120.97 1pkl h GLU 390 Ca 0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pkl h GLU 390 Cb 0.73 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1pkl h GLU 390 CO 0.06 -0.12 -0.19 0.25 -1.00 0.00 0.00 179.01 178.01 1pkl n THR 391 N -5.17 0.00 -3.75 1.13 -2.24 -0.01 -4.94 114.28 99.30 1pkl n THR 391 Ca -0.10 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1pkl n THR 391 Cb 0.23 0.19 0.04 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.77 -5.38 -1.86 -0.78 5.02 0.37 -4.91 118.16 109.84 1pkl n LYS 392 Ca 0.13 0.64 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 1pkl n LYS 392 Cb 0.32 -5.35 0.05 0.00 -0.02 0.00 0.00 35.03 30.02 1pkl n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl s ALA 393 N -3.52 2.45 -2.04 7.82 0.00 -0.88 -4.80 121.76 120.79 1pkl s ALA 393 Ca 0.24 0.90 0.19 0.00 0.00 0.00 0.00 51.96 53.28 1pkl s ALA 393 Cb -0.12 -3.43 0.30 0.00 0.00 0.00 0.00 23.12 19.87 1pkl s ALA 393 CO 0.81 -1.31 1.23 1.63 0.00 0.00 0.00 175.76 178.12 1pkl n LYS 394 N -1.95 2.09 -3.53 0.00 5.02 -0.62 -4.82 118.16 114.35 1pkl n LYS 394 Ca 0.13 -1.95 -0.10 0.00 -2.02 0.00 0.00 58.31 54.37 1pkl n LYS 394 Cb 0.50 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1pkl n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl s ALA 395 N -1.34 -1.85 0.02 7.82 0.00 -1.25 -4.17 121.76 120.99 1pkl s ALA 395 Ca 0.29 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.50 1pkl s ALA 395 Cb 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1pkl s ALA 395 CO 0.25 -0.55 -0.14 -1.64 0.00 0.00 0.00 175.76 173.68 1pkl s MET 396 N -2.38 1.03 -0.17 0.00 -1.94 -0.81 -2.05 119.30 112.99 1pkl s MET 396 Ca 0.02 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 1pkl s MET 396 Cb -0.01 -1.02 0.02 0.00 2.01 0.00 0.00 34.83 35.83 1pkl s MET 396 CO -0.04 0.27 -0.17 0.08 -0.01 0.00 0.00 175.02 175.14 1pkl s VAL 397 N -0.59 1.84 -0.18 -6.03 1.01 0.38 -0.54 120.40 116.28 1pkl s VAL 397 Ca 0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1pkl s VAL 397 Cb -0.07 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1pkl s VAL 397 CO 0.00 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1pkl s VAL 398 N 1.37 2.60 -0.50 2.92 1.01 0.29 -0.82 120.40 127.28 1pkl s VAL 398 Ca 0.04 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 1pkl s VAL 398 Cb -0.13 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1pkl s VAL 398 CO -0.12 0.50 0.70 -0.76 0.00 0.00 0.00 175.10 175.42 1pkl s LEU 399 N 1.22 4.64 -0.04 3.92 1.43 -0.94 -1.05 118.68 127.86 1pkl s LEU 399 Ca 0.02 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1pkl s LEU 399 Cb -0.14 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.50 1pkl s LEU 399 CO -0.07 -0.93 0.04 -0.55 0.23 0.00 0.00 176.35 175.07 1pkl s SER 400 N 2.52 0.89 -0.11 2.29 0.15 -1.08 -4.42 113.70 113.94 1pkl s SER 400 Ca 0.21 0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1pkl s SER 400 Cb -0.16 -0.19 -0.28 0.00 -1.71 0.00 0.00 66.02 63.69 1pkl s SER 400 CO 0.16 -0.19 0.76 0.78 1.20 0.00 0.00 173.24 175.94 1pkl h ASN 401 N 8.01 0.19 0.65 5.45 -0.26 -1.95 -3.36 115.58 124.31 1pkl h ASN 401 Ca -0.25 -0.94 0.00 0.00 -0.56 0.00 0.00 56.30 54.56 1pkl h ASN 401 Cb 1.12 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1pkl h ASN 401 CO 0.28 1.22 -0.44 0.35 -1.06 0.00 0.00 177.43 177.79 1pkl n THR 402 N -4.37 0.07 -0.59 2.81 -2.24 -1.26 -4.46 114.28 104.23 1pkl n THR 402 Ca -0.14 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1pkl n THR 402 Cb 0.65 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.47 0.76 0.18 3.38 0.00 -1.26 -4.89 105.19 104.82 1pkl n GLY 403 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1pkl n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pkl h ARG 404 N 3.20 -0.36 -0.42 1.61 2.43 -1.91 -2.06 114.38 116.88 1pkl h ARG 404 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1pkl h ARG 404 Cb 0.00 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1pkl h ARG 404 CO 0.00 -0.19 0.24 0.77 -1.51 0.00 0.00 179.97 179.27 1pkl h SER 405 N -0.43 0.51 -0.88 -3.80 0.02 -1.92 -0.76 113.55 106.29 1pkl h SER 405 Ca -0.04 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1pkl h SER 405 Cb 0.33 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 1pkl h SER 405 CO 0.06 0.44 0.55 0.00 -1.14 0.00 0.00 176.83 176.74 1pkl h ALA 406 N 1.10 1.21 -0.05 3.77 0.00 -1.91 0.15 119.26 123.53 1pkl h ALA 406 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1pkl h ALA 406 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pkl h ALA 406 CO -0.03 0.29 -0.57 -0.09 0.00 0.00 0.00 179.25 178.85 1pkl h ARG 407 N 0.99 0.15 -0.05 0.00 2.43 -0.96 -1.23 114.38 115.71 1pkl h ARG 407 Ca 0.39 -0.09 -0.25 0.00 -0.81 0.00 0.00 59.98 59.21 1pkl h ARG 407 Cb 0.18 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1pkl h ARG 407 CO -0.18 0.68 -0.95 1.25 -1.51 0.00 0.00 179.97 179.26 1pkl h LEU 408 N 0.11 0.92 -0.43 3.80 5.85 -0.02 -2.70 115.31 122.84 1pkl h LEU 408 Ca -0.00 -0.71 -0.06 0.00 0.84 0.00 0.00 57.88 57.95 1pkl h LEU 408 Cb 1.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1pkl h LEU 408 CO 0.08 1.50 0.04 0.58 -0.34 0.00 0.00 178.44 180.30 1pkl h VAL 409 N 0.42 1.25 0.00 1.05 2.07 -0.66 -2.56 116.25 117.82 1pkl h VAL 409 Ca -0.11 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1pkl h VAL 409 Cb 1.60 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1pkl h VAL 409 CO 0.19 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 178.06 1pkl h ALA 410 N 0.92 1.66 -0.62 1.67 0.00 -1.24 -1.88 119.26 119.77 1pkl h ALA 410 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 410 Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 410 CO 0.01 0.06 0.32 -0.22 0.00 0.00 0.00 179.25 179.42 1pkl h LYS 411 N 0.00 0.86 0.00 0.00 3.64 -1.11 -2.16 116.57 117.80 1pkl h LYS 411 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1pkl h LYS 411 Cb 0.10 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1pkl h LYS 411 CO 0.01 0.65 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 1pkl n TYR 412 N -4.37 0.00 -3.21 1.91 4.01 -0.71 -4.88 117.16 109.91 1pkl n TYR 412 Ca 0.06 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.75 1pkl n TYR 412 Cb 0.11 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.37 -1.92 -0.72 5.12 -0.81 -3.77 116.66 111.83 1pkl n ARG 413 Ca 0.09 1.34 -0.33 0.00 -1.93 0.00 0.00 57.85 57.03 1pkl n ARG 413 Cb 0.21 -5.04 0.03 0.00 -1.16 0.00 0.00 32.46 26.50 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 3.11 -0.39 5.56 0.02 -1.26 -4.56 135.00 134.06 1pkl s PRO 414 Ca 0.00 1.27 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 1pkl s PRO 414 Cb -0.00 -2.00 0.28 0.00 0.02 0.00 0.00 34.50 32.80 1pkl s PRO 414 CO 0.78 -0.99 1.98 0.27 -0.33 0.00 0.00 177.00 178.72 1pkl n ASN 415 N -2.20 6.49 -3.68 2.53 6.94 -1.26 -4.86 115.26 119.22 1pkl n ASN 415 Ca 0.09 -3.22 -0.10 0.00 -0.02 0.00 0.00 54.58 51.33 1pkl n ASN 415 Cb 0.52 -1.01 -0.05 0.00 -2.36 0.00 0.00 39.78 36.88 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 -0.13 1.85 -4.62 0.00 -0.02 -1.26 -4.83 135.00 125.99 1pkl n PRO 417 Ca -0.16 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 1pkl n PRO 417 Cb 0.63 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 1pkl n PRO 417 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pkl s ILE 418 N -1.26 3.38 -0.23 4.25 1.01 -0.93 -1.93 121.20 125.50 1pkl s ILE 418 Ca 0.68 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1pkl s ILE 418 Cb -0.43 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1pkl s ILE 418 CO 0.52 0.51 -0.09 -0.69 0.00 0.00 0.00 174.94 175.19 1pkl s VAL 419 N 0.37 2.71 -0.19 2.92 1.01 0.30 -1.66 120.40 125.86 1pkl s VAL 419 Ca -0.08 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1pkl s VAL 419 Cb -0.15 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1pkl s VAL 419 CO 0.04 0.29 0.13 0.00 0.00 0.00 0.00 175.10 175.56 1pkl s VAL 421 N 0.26 3.49 0.22 0.00 1.01 -0.21 0.14 120.40 125.30 1pkl s VAL 421 Ca 0.08 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1pkl s VAL 421 Cb -0.11 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1pkl s VAL 421 CO -0.01 0.20 -0.20 -0.89 0.00 0.00 0.00 175.10 174.20 1pkl s THR 422 N 1.44 2.20 -2.75 3.92 2.01 -0.71 -2.63 115.64 119.11 1pkl s THR 422 Ca 0.03 -2.18 0.24 0.00 0.31 0.00 0.00 61.69 60.09 1pkl s THR 422 Cb -0.16 -2.12 0.19 0.00 0.01 0.00 0.00 72.50 70.42 1pkl s THR 422 CO -0.01 -0.34 1.28 0.35 -0.69 0.00 0.00 174.62 175.22 1pkl n THR 423 N -0.16 0.00 -4.45 -0.82 -2.24 -1.26 -0.04 114.28 105.31 1pkl n THR 423 Ca -0.09 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 60.93 1pkl n THR 423 Cb 0.58 1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 70.01 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 -2.10 3.39 0.29 -0.78 0.52 -1.26 -4.74 118.95 114.27 1pkl s ARG 424 Ca 0.27 -0.66 0.14 0.00 -0.52 0.00 0.00 55.73 54.96 1pkl s ARG 424 Cb 0.20 -2.76 0.35 0.00 0.52 0.00 0.00 34.95 33.26 1pkl s ARG 424 CO 0.36 0.07 1.58 1.25 0.02 0.00 0.00 175.30 178.58 1pkl h LEU 425 N 7.19 0.00 -0.88 2.53 5.85 -1.94 -2.92 115.31 125.14 1pkl h LEU 425 Ca -0.32 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 1pkl h LEU 425 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1pkl h LEU 425 CO 0.58 0.56 -0.44 -0.61 -0.34 0.00 0.00 178.44 178.20 1pkl h GLN 426 N 0.00 0.00 -0.40 1.25 4.15 -1.96 -2.57 115.11 115.58 1pkl h GLN 426 Ca -0.01 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1pkl h GLN 426 Cb 1.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 1pkl h GLN 426 CO 0.07 0.44 -0.26 1.15 -1.93 0.00 0.00 178.83 178.30 1pkl h THR 427 N 0.00 1.27 -0.52 2.39 2.02 -1.80 0.12 112.91 116.39 1pkl h THR 427 Ca -0.00 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1pkl h THR 427 Cb 0.95 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 1pkl h THR 427 CO 0.06 0.47 0.25 0.00 0.37 0.00 0.00 175.52 176.67 1pkl h ARG 429 N 0.73 0.53 -0.13 0.00 3.08 -1.16 -3.33 114.38 114.10 1pkl h ARG 429 Ca 0.18 -0.75 -0.09 0.00 0.07 0.00 0.00 59.98 59.39 1pkl h ARG 429 Cb 0.08 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1pkl h ARG 429 CO -0.02 1.34 -0.33 1.96 -1.07 0.00 0.00 179.97 181.84 1pkl h GLN 430 N 0.08 0.27 0.00 0.04 4.20 -0.52 -2.47 115.11 116.71 1pkl h GLN 430 Ca -0.18 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1pkl h GLN 430 Cb 1.85 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.61 1pkl h GLN 430 CO 0.22 0.57 0.00 1.28 -0.67 0.00 0.00 178.83 180.23 1pkl n LEU 431 N -4.09 0.00 0.05 1.46 4.77 -0.16 -2.93 117.00 116.09 1pkl n LEU 431 Ca -0.01 0.11 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1pkl n LEU 431 Cb 0.42 -0.11 0.37 0.00 -2.33 0.00 0.00 43.42 41.77 1pkl n LEU 431 CO 0.41 -0.05 0.77 0.59 -1.33 0.00 0.00 177.39 177.78 1pkl n ASN 432 N -1.11 0.23 -0.82 -1.43 3.02 -0.93 -1.76 115.26 112.46 1pkl n ASN 432 Ca 0.11 0.56 0.09 0.00 -0.03 0.00 0.00 54.58 55.31 1pkl n ASN 432 Cb 0.09 -0.61 0.14 0.00 -0.61 0.00 0.00 39.78 38.79 1pkl n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pkl n ILE 433 N -1.76 0.41 -3.68 2.41 -5.35 -1.15 -4.77 119.36 105.47 1pkl n ILE 433 Ca 0.03 -0.70 -0.37 0.00 -0.27 0.00 0.00 62.75 61.43 1pkl n ILE 433 Cb 0.19 1.01 -0.12 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.27 4.75 0.47 7.28 2.01 -0.72 -4.51 115.64 123.65 1pkl s THR 434 Ca 0.27 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 62.00 1pkl s THR 434 Cb 0.16 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.35 1pkl s THR 434 CO 0.23 0.30 1.37 -1.58 -0.69 0.00 0.00 174.62 174.25 1pkl s GLN 435 N 1.68 3.60 -0.42 4.92 -0.44 -1.26 -3.71 119.66 124.03 1pkl s GLN 435 Ca 0.07 2.28 0.00 0.00 -2.50 0.00 0.00 55.36 55.21 1pkl s GLN 435 Cb -0.16 -2.55 0.00 0.00 -1.64 0.00 0.00 33.01 28.66 1pkl s GLN 435 CO 0.07 -0.84 0.00 0.41 0.50 0.00 0.00 175.29 175.43 1pkl n GLY 436 N 0.63 0.58 3.39 2.59 0.00 0.10 -4.95 105.19 107.53 1pkl n GLY 436 Ca 0.06 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.77 2.22 -0.02 1.61 1.01 -1.24 -2.18 120.40 120.02 1pkl s VAL 437 Ca 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.11 1pkl s VAL 437 Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1pkl s VAL 437 CO 0.00 -0.03 0.05 -1.61 0.00 0.00 0.00 175.10 173.51 1pkl s GLU 438 N -2.33 0.02 -0.00 2.72 2.02 -0.66 -4.96 118.70 115.51 1pkl s GLU 438 Ca 0.16 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1pkl s GLU 438 Cb -0.09 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1pkl s GLU 438 CO 0.07 -0.07 0.05 -1.12 0.02 0.00 0.00 175.26 174.22 1pkl s SER 439 N 0.45 5.48 -0.16 -0.19 0.01 -1.26 -0.00 113.70 118.03 1pkl s SER 439 Ca -0.04 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1pkl s SER 439 Cb -0.05 -1.52 0.02 0.00 0.21 0.00 0.00 66.02 64.67 1pkl s SER 439 CO -0.02 0.27 -0.16 -0.69 0.41 0.00 0.00 173.24 173.06 1pkl s VAL 440 N -1.16 1.75 -0.06 3.43 1.01 0.12 -4.93 120.40 120.57 1pkl s VAL 440 Ca 0.22 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1pkl s VAL 440 Cb -0.12 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1pkl s VAL 440 CO 0.13 0.49 0.82 0.12 0.00 0.00 0.00 175.10 176.66 1pkl s PHE 441 N 1.39 3.59 -0.28 5.22 5.36 -1.26 -1.74 117.98 130.25 1pkl s PHE 441 Ca 0.05 1.41 -0.04 0.00 -0.96 0.00 0.00 56.93 57.39 1pkl s PHE 441 Cb -0.13 -2.95 0.03 0.00 -0.34 0.00 0.00 43.02 39.63 1pkl s PHE 441 CO -0.11 0.01 0.01 0.12 -1.46 0.00 0.00 175.22 173.79 1pkl s PHE 442 N 1.06 3.16 -0.41 10.12 5.36 0.94 -4.94 117.98 133.28 1pkl s PHE 442 Ca 0.43 -1.47 -0.29 0.00 -0.96 0.00 0.00 56.93 54.64 1pkl s PHE 442 Cb -0.19 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.35 1pkl s PHE 442 CO 0.21 -0.71 1.50 0.34 -1.46 0.00 0.00 175.22 175.10 1pkl s ASP 443 N 1.36 6.22 0.31 6.13 -1.08 -1.26 -4.20 116.67 124.14 1pkl s ASP 443 Ca -0.01 0.89 0.11 0.00 -0.52 0.00 0.00 52.55 53.02 1pkl s ASP 443 Cb -0.18 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.23 1pkl s ASP 443 CO -0.01 -1.52 1.69 0.00 0.52 0.00 0.00 175.17 175.85 1pkl h ALA 444 N 11.23 1.13 0.11 3.66 0.00 -1.85 -2.24 119.26 131.30 1pkl h ALA 444 Ca -0.29 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 53.89 1pkl h ALA 444 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pkl h ALA 444 CO 1.08 0.66 -1.29 -0.44 0.00 0.00 0.00 179.25 179.26 1pkl h ASP 445 N 0.00 0.37 0.84 0.00 3.32 -1.90 -2.46 116.42 116.59 1pkl h ASP 445 Ca -0.01 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1pkl h ASP 445 Cb 0.93 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1pkl h ASP 445 CO 0.07 1.57 0.00 1.17 -1.72 0.00 0.00 179.24 180.33 1pkl n LYS 446 N -3.99 0.03 0.00 3.56 4.81 -1.24 -3.94 118.16 117.40 1pkl n LYS 446 Ca -0.23 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1pkl n LYS 446 Cb 0.87 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.42 1pkl n LYS 446 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1pkl n LEU 447 N -1.48 0.09 0.00 3.14 4.77 -0.84 -5.05 117.00 117.63 1pkl n LEU 447 Ca 0.07 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1pkl n LEU 447 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1pkl n LEU 447 CO 0.23 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1pkl n GLY 448 N -0.01 1.42 0.29 -0.72 0.00 -0.93 -4.78 105.19 100.46 1pkl n GLY 448 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 1pkl n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1pkl h HIS 449 N 0.00 1.15 -4.25 1.61 3.86 -1.90 -3.40 115.15 112.22 1pkl h HIS 449 Ca 0.00 -0.26 -0.09 0.00 -1.16 0.00 0.00 60.37 58.86 1pkl h HIS 449 Cb 0.00 -0.27 0.07 0.00 1.06 0.00 0.00 27.41 28.27 1pkl h HIS 449 CO 0.00 1.09 -0.30 -3.47 0.86 0.00 0.00 177.93 176.11 1pkl n ASP 450 N -4.12 -4.59 -4.71 2.45 2.03 -1.26 -4.97 116.55 101.37 1pkl n ASP 450 Ca 0.01 -0.26 -0.42 0.00 0.52 0.00 0.00 54.79 54.64 1pkl n ASP 450 Cb 0.44 -3.02 -0.03 0.00 -0.72 0.00 0.00 41.12 37.79 1pkl n ASP 450 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1pkl s GLU 451 N -3.48 4.53 0.00 -0.67 8.01 -1.26 -2.45 118.70 123.38 1pkl s GLU 451 Ca 0.16 1.49 0.00 0.00 0.01 0.00 0.00 54.97 56.63 1pkl s GLU 451 Cb -0.02 -3.44 0.00 0.00 -4.31 0.00 0.00 34.13 26.36 1pkl s GLU 451 CO 0.38 -0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.96 1pkl n GLY 452 N 2.97 2.11 3.18 -1.39 0.00 -1.26 -4.80 105.19 105.99 1pkl n GLY 452 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.23 -1.23 -0.03 1.61 5.02 -1.02 -4.84 118.16 117.43 1pkl n LYS 453 Ca 0.00 0.26 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 1pkl n LYS 453 Cb 0.00 -4.38 0.27 0.00 -0.02 0.00 0.00 35.03 30.90 1pkl n LYS 453 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pkl h GLU 454 N 0.00 0.59 -0.51 1.97 4.39 -1.87 -2.40 114.58 116.75 1pkl h GLU 454 Ca 0.00 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1pkl h GLU 454 Cb 0.52 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1pkl h GLU 454 CO 0.00 0.61 -0.05 0.45 -1.16 0.00 0.00 179.01 178.86 1pkl h HIS 455 N 0.57 0.99 -0.39 4.33 3.86 -1.92 -0.99 115.15 121.59 1pkl h HIS 455 Ca 0.12 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 1pkl h HIS 455 Cb 0.35 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1pkl h HIS 455 CO 0.01 0.92 -0.16 0.00 0.86 0.00 0.00 177.93 179.56 1pkl h ARG 456 N 0.82 0.80 -0.59 2.45 3.08 -1.88 -1.11 114.38 117.96 1pkl h ARG 456 Ca 0.14 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1pkl h ARG 456 Cb 0.56 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1pkl h ARG 456 CO 0.03 0.96 0.33 0.28 -1.07 0.00 0.00 179.97 180.50 1pkl h VAL 457 N 0.61 1.19 -0.91 2.04 2.07 -1.23 -0.79 116.25 119.22 1pkl h VAL 457 Ca 0.09 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1pkl h VAL 457 Cb 0.70 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1pkl h VAL 457 CO 0.05 0.21 0.51 0.00 0.02 0.00 0.00 177.57 178.36 1pkl h ALA 458 N 1.15 1.17 -0.38 1.67 0.00 -1.01 -0.82 119.26 121.05 1pkl h ALA 458 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 458 Cb 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1pkl h ALA 458 CO -0.03 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.00 1pkl h ALA 459 N 1.28 0.49 -0.63 0.00 0.00 -0.60 0.88 119.26 120.68 1pkl h ALA 459 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pkl h ALA 459 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1pkl h ALA 459 CO -0.05 0.14 0.28 0.78 0.00 0.00 0.00 179.25 180.39 1pkl h GLY 460 N 0.46 1.00 1.17 0.00 0.00 -0.75 -1.69 103.07 103.27 1pkl h GLY 460 Ca 0.12 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1pkl h GLY 460 CO -0.00 0.50 -0.19 -2.08 0.00 0.00 0.00 176.54 174.77 1pkl h VAL 461 N 0.88 1.27 -0.56 4.60 2.07 -0.95 -1.75 116.25 121.81 1pkl h VAL 461 Ca 0.21 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1pkl h VAL 461 Cb 0.17 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1pkl h VAL 461 CO -0.02 0.46 0.16 -0.08 0.02 0.00 0.00 177.57 178.11 1pkl h GLU 462 N 0.83 0.85 -0.33 1.57 4.57 -0.60 0.37 114.58 121.84 1pkl h GLU 462 Ca 0.12 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1pkl h GLU 462 Cb 0.75 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1pkl h GLU 462 CO 0.06 0.74 -0.09 0.35 -1.18 0.00 0.00 179.01 178.89 1pkl h PHE 463 N 0.82 0.73 -0.71 0.92 3.57 -1.11 0.15 116.94 121.31 1pkl h PHE 463 Ca 0.18 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1pkl h PHE 463 Cb 0.26 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1pkl h PHE 463 CO 0.02 0.82 0.40 0.00 -2.23 0.00 0.00 178.31 177.32 1pkl h ALA 464 N 0.80 1.36 0.34 2.41 0.00 -0.80 -1.80 119.26 121.57 1pkl h ALA 464 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pkl h ALA 464 Cb 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pkl h ALA 464 CO 0.03 0.53 -0.16 0.87 0.00 0.00 0.00 179.25 180.52 1pkl h LYS 465 N 0.99 -0.44 -0.71 0.00 1.57 -0.65 0.11 116.57 117.44 1pkl h LYS 465 Ca 0.25 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.17 1pkl h LYS 465 Cb 0.01 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1pkl h LYS 465 CO -0.04 -0.16 0.47 0.66 -0.57 0.00 0.00 179.45 179.81 1pkl h SER 466 N -0.69 0.51 1.00 0.86 4.64 -0.71 0.22 113.55 119.38 1pkl h SER 466 Ca -0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1pkl h SER 466 Cb 0.48 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1pkl h SER 466 CO 0.08 0.30 -0.06 0.29 -0.87 0.00 0.00 176.83 176.57 1pkl n LYS 467 N -4.49 0.03 -0.98 4.77 4.76 -0.70 -4.92 118.16 116.62 1pkl n LYS 467 Ca 0.12 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1pkl n LYS 467 Cb 0.37 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1pkl n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pkl n GLY 468 N 1.48 0.52 0.12 0.72 0.00 0.07 -4.97 105.19 103.12 1pkl n GLY 468 Ca 0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 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 0.46 -3.93 1.61 0.05 -0.97 -3.47 116.97 110.72 1pkl h TYR 469 Ca 0.00 -0.28 -0.49 0.00 0.05 0.00 0.00 58.73 58.01 1pkl h TYR 469 Cb 0.16 -0.04 -0.22 0.00 1.01 0.00 0.00 36.73 37.64 1pkl h TYR 469 CO 0.00 1.13 -0.80 0.14 -1.05 0.00 0.00 178.16 177.58 1pkl s VAL 470 N -2.89 1.44 0.37 -2.88 -7.23 -1.20 -4.80 120.40 103.22 1pkl s VAL 470 Ca -0.14 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1pkl s VAL 470 Cb 0.02 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 1pkl s VAL 470 CO 0.80 -0.14 0.07 -1.10 -0.31 0.00 0.00 175.10 174.42 1pkl s GLN 471 N -1.84 1.81 -0.75 4.82 1.11 -1.26 -4.31 119.66 119.24 1pkl s GLN 471 Ca 0.03 -2.05 -0.25 0.00 0.01 0.00 0.00 55.36 53.09 1pkl s GLN 471 Cb -0.10 -0.91 -0.14 0.00 -1.01 0.00 0.00 33.01 30.85 1pkl s GLN 471 CO 0.03 -0.28 2.41 2.41 0.01 0.00 0.00 175.29 179.87 1pkl n THR 472 N -0.83 -0.02 0.00 -0.19 -1.04 -1.26 -1.02 114.28 109.92 1pkl n THR 472 Ca -0.05 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1pkl n THR 472 Cb 0.66 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1pkl n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pkl n GLY 473 N 6.53 1.27 3.78 3.41 0.00 -0.68 -4.91 105.19 114.59 1pkl n GLY 473 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.38 4.60 -0.05 1.61 1.01 -0.19 -4.73 116.67 118.55 1pkl s ASP 474 Ca 0.00 1.70 -0.10 0.00 0.71 0.00 0.00 52.55 54.87 1pkl s ASP 474 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1pkl s ASP 474 CO 0.00 -1.95 0.27 -0.31 0.21 0.00 0.00 175.17 173.39 1pkl s TYR 475 N -2.96 3.64 -0.07 4.23 2.02 -1.26 -1.93 117.35 121.03 1pkl s TYR 475 Ca 0.61 0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 58.02 1pkl s TYR 475 Cb -0.16 -2.09 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1pkl s TYR 475 CO 0.56 0.68 -0.01 0.00 -1.57 0.00 0.00 175.55 175.20 1pkl s VAL 477 N 1.74 4.96 -0.10 0.00 1.01 -0.87 -0.50 120.40 126.64 1pkl s VAL 477 Ca 0.02 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1pkl s VAL 477 Cb -0.13 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1pkl s VAL 477 CO -0.05 0.05 -0.01 -0.69 0.00 0.00 0.00 175.10 174.41 1pkl s VAL 478 N 2.22 4.22 0.08 2.92 1.01 0.15 -0.47 120.40 130.53 1pkl s VAL 478 Ca 0.31 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1pkl s VAL 478 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1pkl s VAL 478 CO 0.10 0.58 -0.12 -0.63 0.00 0.00 0.00 175.10 175.03 1pkl s ILE 479 N -0.59 0.99 -0.23 2.22 1.01 0.00 -1.26 121.20 123.34 1pkl s ILE 479 Ca 0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 60.65 59.30 1pkl s ILE 479 Cb -0.12 -1.14 0.12 0.00 0.01 0.00 0.00 42.46 41.34 1pkl s ILE 479 CO 0.02 -0.37 0.34 -2.28 0.00 0.00 0.00 174.94 172.65 1pkl s HIS 480 N -1.74 -0.69 -0.01 3.97 5.65 0.24 -2.21 115.29 120.50 1pkl s HIS 480 Ca 0.00 0.68 0.07 0.00 0.25 0.00 0.00 55.06 56.06 1pkl s HIS 480 Cb -0.07 -0.08 -0.02 0.00 -1.18 0.00 0.00 32.58 31.23 1pkl s HIS 480 CO 0.01 -0.69 -0.22 0.00 -0.65 0.00 0.00 174.74 173.19 1pkl s ALA 481 N 2.49 1.87 0.00 1.58 0.00 -1.26 0.07 121.76 126.50 1pkl s ALA 481 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1pkl s ALA 481 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1pkl s ALA 481 CO -0.15 0.45 0.00 -3.47 0.00 0.00 0.00 175.76 172.59 1pkl n ASP 482 N 2.39 0.00 -2.14 0.00 2.03 -1.26 -4.86 116.55 112.72 1pkl n ASP 482 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1pkl n ASP 482 Cb 0.52 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.96 1pkl n ASP 482 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pkl n ALA 489 N 0.23 2.71 0.00 -1.67 0.00 -1.26 -5.13 120.51 115.40 1pkl n ALA 489 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1pkl n ALA 489 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.31 0.00 0.00 0.00 2.85 -1.24 -5.00 115.26 111.55 1pkl n ASN 490 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1pkl n ASN 490 Cb 0.91 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.93 1pkl n ASN 490 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1pkl n GLN 491 N -0.02 0.00 -3.84 1.20 7.27 0.11 -4.97 117.38 117.13 1pkl n GLN 491 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1pkl n GLN 491 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 1pkl n GLN 491 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1pkl s THR 492 N -1.47 -0.00 0.02 1.69 2.01 -1.26 -0.59 115.64 116.04 1pkl s THR 492 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1pkl s THR 492 Cb 0.00 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.37 1pkl s THR 492 CO 0.00 0.00 -0.03 -0.13 -0.69 0.00 0.00 174.62 173.77 1pkl s ARG 493 N 0.09 0.29 -0.56 4.92 0.52 -0.39 -4.99 118.95 118.83 1pkl s ARG 493 Ca -0.00 -0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1pkl s ARG 493 Cb -0.01 0.04 0.14 0.00 0.52 0.00 0.00 34.95 35.65 1pkl s ARG 493 CO -0.00 -0.03 0.37 0.42 0.02 0.00 0.00 175.30 176.08 1pkl s ILE 494 N -1.23 3.65 0.40 1.52 1.01 -1.26 -0.67 121.20 124.63 1pkl s ILE 494 Ca -0.13 -2.61 -0.16 0.00 0.00 0.00 0.00 60.65 57.75 1pkl s ILE 494 Cb -0.08 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 1pkl s ILE 494 CO -0.01 -0.82 0.85 -0.22 0.00 0.00 0.00 174.94 174.75 1pkl s LEU 495 N 0.39 3.91 -0.24 2.97 2.96 0.34 -4.90 118.68 124.12 1pkl s LEU 495 Ca 0.14 1.44 -0.06 0.00 -0.22 0.00 0.00 54.13 55.43 1pkl s LEU 495 Cb -0.21 -4.30 -0.02 0.00 0.50 0.00 0.00 46.19 42.16 1pkl s LEU 495 CO -0.04 -0.35 0.02 -0.22 -1.32 0.00 0.00 176.35 174.44 1pkl s LEU 496 N -3.37 3.19 0.59 -0.68 2.96 -1.26 -0.81 118.68 119.29 1pkl s LEU 496 Ca 0.57 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 54.01 1pkl s LEU 496 Cb -0.10 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1pkl s LEU 496 CO 0.21 -0.03 1.08 -0.69 -1.32 0.00 0.00 176.35 175.60 1pkl s VAL 497 N 1.55 3.54 0.00 1.68 1.01 -0.81 -4.92 120.40 122.44 1pkl s VAL 497 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1pkl s VAL 497 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1pkl s VAL 497 CO 0.00 -0.37 0.22 -1.84 0.00 0.00 0.00 175.10 173.11