#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 0.00 0.45 4.33 5.75 -1.99 -3.17 115.11 120.48 1pkl h GLN 2 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1pkl h GLN 2 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pkl h GLN 2 CO 0.00 0.71 -0.34 1.25 -2.65 0.00 0.00 178.83 177.80 1pkl h LEU 3 N 0.00 -0.89 -0.69 -2.39 5.85 -2.01 0.51 115.31 115.69 1pkl h LEU 3 Ca -0.01 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1pkl h LEU 3 Cb 1.41 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 42.64 1pkl h LEU 3 CO 0.09 -0.51 0.26 0.00 -0.34 0.00 0.00 178.44 177.94 1pkl h ALA 4 N -0.35 0.92 -0.65 1.25 0.00 -2.02 -2.31 119.26 116.10 1pkl h ALA 4 Ca -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pkl h ALA 4 Cb 0.67 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1pkl h ALA 4 CO 0.00 -0.21 0.28 1.25 0.00 0.00 0.00 179.25 180.58 1pkl h HIS 5 N 0.42 0.97 -0.22 0.00 -0.00 -1.40 -2.78 115.15 112.13 1pkl h HIS 5 Ca 0.37 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.68 1pkl h HIS 5 Cb 0.52 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1pkl h HIS 5 CO -0.18 0.75 0.15 -0.91 -0.00 0.00 0.00 177.93 177.74 1pkl h ASN 6 N 0.91 0.22 0.15 3.26 2.35 -0.33 -2.29 115.58 119.85 1pkl h ASN 6 Ca 0.22 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1pkl h ASN 6 Cb 0.17 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1pkl h ASN 6 CO -0.02 0.15 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.65 1pkl h LEU 7 N 0.26 0.08 0.00 1.61 3.38 -1.36 -2.93 115.31 116.35 1pkl h LEU 7 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pkl h LEU 7 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pkl h LEU 7 CO -0.02 0.28 -0.51 0.35 0.09 0.00 0.00 178.44 178.63 1pkl n THR 8 N -4.27 0.29 -1.51 0.22 -2.24 -0.87 -4.95 114.28 100.94 1pkl n THR 8 Ca -0.02 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1pkl n THR 8 Cb 0.28 -0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.95 2.71 -0.28 3.22 1.43 -1.11 -5.09 118.68 115.62 1pkl s LEU 9 Ca 0.08 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 1pkl s LEU 9 Cb 0.14 -4.09 0.09 0.00 0.03 0.00 0.00 46.19 42.37 1pkl s LEU 9 CO 0.69 -1.92 0.66 -0.55 0.23 0.00 0.00 176.35 175.46 1pkl s SER 10 N -3.80 -0.97 0.00 2.29 0.15 -1.26 -5.02 113.70 105.08 1pkl s SER 10 Ca 0.60 1.49 0.23 0.00 0.70 0.00 0.00 55.95 58.98 1pkl s SER 10 Cb -0.15 1.64 1.15 0.00 -1.71 0.00 0.00 66.02 66.95 1pkl s SER 10 CO 0.55 -0.23 1.76 2.30 1.20 0.00 0.00 173.24 178.81 1pkl n ILE 11 N 4.70 0.29 0.93 6.45 -5.35 -1.26 -3.41 119.36 121.69 1pkl n ILE 11 Ca -0.17 0.07 0.12 0.00 -0.27 0.00 0.00 62.75 62.50 1pkl n ILE 11 Cb 0.55 -0.69 0.21 0.00 -1.74 0.00 0.00 39.64 37.98 1pkl n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1pkl n PHE 12 N -1.31 0.08 -2.81 4.28 3.72 -1.26 -4.94 117.46 115.22 1pkl n PHE 12 Ca 0.10 0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1pkl n PHE 12 Cb 0.19 -0.30 0.03 0.00 -0.94 0.00 0.00 39.48 38.47 1pkl n PHE 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1pkl n ASP 13 N -1.60 0.73 -4.05 4.37 5.68 -1.22 -5.10 116.55 115.36 1pkl n ASP 13 Ca 0.05 -1.55 -0.30 0.00 -0.50 0.00 0.00 54.79 52.49 1pkl n ASP 13 Cb 0.35 -0.20 0.21 0.00 -1.14 0.00 0.00 41.12 40.35 1pkl n ASP 13 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1pkl s PRO 14 N -3.17 -0.37 -0.05 0.11 0.04 -1.26 -5.08 135.00 125.22 1pkl s PRO 14 Ca 0.25 -0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.17 1pkl s PRO 14 Cb -0.02 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.85 1pkl s PRO 14 CO 0.16 -3.14 0.02 0.14 0.04 0.00 0.00 177.00 174.22 1pkl s VAL 15 N -3.28 0.15 -0.08 -0.36 -7.23 -1.26 -5.07 120.40 103.26 1pkl s VAL 15 Ca 0.71 0.24 -0.32 0.00 -1.81 0.00 0.00 61.98 60.80 1pkl s VAL 15 Cb -0.09 -0.33 -0.10 0.00 0.56 0.00 0.00 36.38 36.42 1pkl s VAL 15 CO 0.55 0.21 1.99 0.00 -0.31 0.00 0.00 175.10 177.54 1pkl n ALA 16 N 5.01 1.30 -0.78 1.32 0.00 -1.26 -4.73 120.51 121.38 1pkl n ALA 16 Ca -0.09 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 1pkl n ALA 16 Cb 0.50 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 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 8.00 2.36 -3.90 0.00 5.15 -1.26 -4.72 115.26 120.90 1pkl n ASN 17 Ca 0.24 -2.48 -0.19 0.00 -0.60 0.00 0.00 54.58 51.55 1pkl n ASN 17 Cb 0.36 -0.90 -0.16 0.00 -0.53 0.00 0.00 39.78 38.55 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 5.13 0.65 -0.15 1.20 5.04 -1.26 -5.13 117.35 122.83 1pkl s TYR 18 Ca 0.49 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 1pkl s TYR 18 Cb 0.12 -0.58 0.02 0.00 0.35 0.00 0.00 41.96 41.87 1pkl s TYR 18 CO 0.13 -0.15 -0.16 0.50 -1.34 0.00 0.00 175.55 174.52 1pkl s ARG 19 N 0.75 2.52 -0.03 4.97 3.52 -1.26 -4.85 118.95 124.56 1pkl s ARG 19 Ca -0.10 -0.65 -0.12 0.00 -0.13 0.00 0.00 55.73 54.73 1pkl s ARG 19 Cb -0.13 -2.23 -0.32 0.00 -1.56 0.00 0.00 34.95 30.72 1pkl s ARG 19 CO -0.00 -0.20 0.74 0.00 -0.81 0.00 0.00 175.30 175.03 1pkl h ALA 20 N 7.92 0.08 -2.87 6.12 0.00 -1.95 -3.44 119.26 125.11 1pkl h ALA 20 Ca -0.39 -1.07 -0.54 0.00 0.00 0.00 0.00 54.91 52.91 1pkl h ALA 20 Cb 1.14 0.39 0.13 0.00 0.00 0.00 0.00 17.79 19.45 1pkl h ALA 20 CO 0.56 0.93 0.47 0.00 0.00 0.00 0.00 179.25 181.21 1pkl s ALA 21 N -2.58 2.47 0.08 0.00 0.00 -1.26 0.18 121.76 120.65 1pkl s ALA 21 Ca -0.15 1.03 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1pkl s ALA 21 Cb 0.05 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1pkl s ALA 21 CO 0.87 -1.33 -0.09 1.03 0.00 0.00 0.00 175.76 176.25 1pkl s ARG 22 N -3.41 2.25 -0.18 0.00 1.81 -0.42 -4.88 118.95 114.12 1pkl s ARG 22 Ca 0.78 -0.95 -0.03 0.00 -1.72 0.00 0.00 55.73 53.81 1pkl s ARG 22 Cb -0.32 -2.36 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 1pkl s ARG 22 CO 0.36 0.53 -0.05 0.42 -0.68 0.00 0.00 175.30 175.87 1pkl s ILE 23 N -1.18 3.53 -0.19 1.52 1.01 -1.26 -1.32 121.20 123.31 1pkl s ILE 23 Ca 0.21 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1pkl s ILE 23 Cb -0.11 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1pkl s ILE 23 CO 0.13 0.47 0.03 -0.63 0.00 0.00 0.00 174.94 174.93 1pkl s ILE 24 N 0.83 4.37 -0.08 2.92 1.01 -0.74 -1.12 121.20 128.40 1pkl s ILE 24 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.50 1pkl s ILE 24 Cb -0.15 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1pkl s ILE 24 CO 0.01 0.44 -0.21 0.00 0.00 0.00 0.00 174.94 175.19 1pkl s THR 26 N -0.04 4.87 0.26 0.00 2.01 -0.49 -0.19 115.64 122.06 1pkl s THR 26 Ca -0.06 1.60 -0.25 0.00 0.31 0.00 0.00 61.69 63.29 1pkl s THR 26 Cb -0.15 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 1pkl s THR 26 CO 0.05 0.00 0.86 -0.63 -0.69 0.00 0.00 174.62 174.21 1pkl s ILE 27 N 2.33 4.30 0.00 1.82 -1.09 -0.33 -2.23 121.20 126.01 1pkl s ILE 27 Ca 0.37 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.51 1pkl s ILE 27 Cb -0.16 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1pkl s ILE 27 CO 0.11 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 1pkl n GLY 28 N 0.94 2.48 0.44 6.18 0.00 -1.25 -4.71 105.19 109.26 1pkl n GLY 28 Ca -0.01 -1.07 0.25 0.00 0.00 0.00 0.00 46.02 45.20 1pkl n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkl h PRO 29 N 0.00 0.16 -0.14 1.61 0.11 -1.86 0.21 132.00 132.09 1pkl h PRO 29 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1pkl h PRO 29 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1pkl h PRO 29 CO 0.00 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 176.77 1pkl n SER 30 N -4.38 2.37 -0.10 -2.05 3.41 -1.07 -4.32 113.62 107.47 1pkl n SER 30 Ca 0.20 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1pkl n SER 30 Cb 0.89 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1pkl n SER 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pkl n THR 31 N 0.81 0.00 0.09 6.66 -2.24 -0.22 -4.93 114.28 114.45 1pkl n THR 31 Ca 0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.91 1pkl n THR 31 Cb 0.47 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 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 -7.17 -0.78 4.15 -0.86 -3.34 115.11 107.12 1pkl h GLN 32 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1pkl h GLN 32 Cb 1.07 0.00 0.16 0.00 0.21 0.00 0.00 27.48 28.92 1pkl h GLN 32 CO 0.00 0.83 0.41 -1.54 -1.93 0.00 0.00 178.83 176.60 1pkl s SER 33 N -6.67 4.24 0.36 -0.69 1.04 -1.26 -4.80 113.70 105.91 1pkl s SER 33 Ca 0.01 2.40 0.04 0.00 0.48 0.00 0.00 55.95 58.88 1pkl s SER 33 Cb 0.10 -2.59 0.69 0.00 0.10 0.00 0.00 66.02 64.31 1pkl s SER 33 CO 0.79 -2.24 2.00 0.58 0.98 0.00 0.00 173.24 175.35 1pkl h VAL 34 N -0.18 1.11 -0.47 5.02 2.07 -1.90 -1.09 116.25 120.81 1pkl h VAL 34 Ca -0.48 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 1pkl h VAL 34 Cb 1.30 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1pkl h VAL 34 CO 0.50 0.15 -0.20 -0.08 0.02 0.00 0.00 177.57 177.96 1pkl h GLU 35 N 0.80 0.96 -0.11 1.57 4.81 -1.94 -2.16 114.58 118.51 1pkl h GLU 35 Ca 0.25 -0.41 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 1pkl h GLU 35 Cb 0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1pkl h GLU 35 CO -0.07 1.08 -0.51 0.00 -0.73 0.00 0.00 179.01 178.78 1pkl h ALA 36 N 0.86 0.92 -0.33 2.92 0.00 -1.71 -2.81 119.26 119.11 1pkl h ALA 36 Ca 0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1pkl h ALA 36 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1pkl h ALA 36 CO 0.06 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.70 1pkl h LEU 37 N 0.25 0.76 -1.48 0.00 3.38 -1.11 -1.94 115.31 115.17 1pkl h LEU 37 Ca 0.01 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1pkl h LEU 37 Cb 0.99 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1pkl h LEU 37 CO 0.08 1.03 0.20 0.11 0.09 0.00 0.00 178.44 179.95 1pkl h LYS 38 N 0.50 0.55 -0.19 1.13 1.57 -1.35 0.19 116.57 118.96 1pkl h LYS 38 Ca 0.07 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1pkl h LYS 38 Cb 0.77 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1pkl h LYS 38 CO 0.06 0.42 -0.44 0.78 -0.57 0.00 0.00 179.45 179.70 1pkl h GLY 39 N 0.65 0.51 1.04 3.86 0.00 -1.25 -1.03 103.07 106.85 1pkl h GLY 39 Ca 0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1pkl h GLY 39 CO -0.02 0.48 -0.29 1.41 0.00 0.00 0.00 176.54 178.11 1pkl h LEU 40 N 0.38 0.88 -0.19 3.11 4.07 -0.53 -1.64 115.31 121.39 1pkl h LEU 40 Ca 0.03 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 1pkl h LEU 40 Cb 0.93 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1pkl h LEU 40 CO 0.08 1.14 0.07 0.40 -1.08 0.00 0.00 178.44 179.05 1pkl h ILE 41 N 0.62 1.17 -0.02 1.22 2.04 -0.84 -0.80 117.51 120.90 1pkl h ILE 41 Ca 0.06 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1pkl h ILE 41 Cb 0.87 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1pkl h ILE 41 CO 0.08 0.16 -0.12 1.56 0.00 0.00 0.00 178.15 179.83 1pkl h GLN 42 N 0.15 0.04 0.00 2.37 4.20 -1.16 -2.40 115.11 118.30 1pkl h GLN 42 Ca 0.06 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1pkl h GLN 42 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1pkl h GLN 42 CO -0.00 0.16 -0.29 0.77 -0.67 0.00 0.00 178.83 178.80 1pkl h SER 43 N 0.04 0.00 0.00 1.46 0.02 -0.92 -3.47 113.55 110.68 1pkl h SER 43 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1pkl h SER 43 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1pkl h SER 43 CO 0.02 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 1pkl n GLY 44 N 0.70 -0.39 3.72 -3.77 0.00 -0.75 -3.88 105.19 100.82 1pkl n GLY 44 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1pkl n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pkl s MET 45 N 0.00 4.56 -0.10 1.61 0.00 -0.38 -4.31 119.30 120.67 1pkl s MET 45 Ca 0.00 1.61 0.08 0.00 0.00 0.00 0.00 55.69 57.37 1pkl s MET 45 Cb 0.00 -3.36 -0.12 0.00 0.00 0.00 0.00 34.83 31.35 1pkl s MET 45 CO 0.00 -0.03 0.01 0.43 0.00 0.00 0.00 175.02 175.43 1pkl n SER 46 N 3.30 2.62 -4.07 1.11 7.64 -0.27 -4.65 113.62 119.29 1pkl n SER 46 Ca 0.05 -0.01 -0.24 0.00 1.01 0.00 0.00 58.87 59.69 1pkl n SER 46 Cb 0.48 0.58 -0.16 0.00 -1.01 0.00 0.00 64.21 64.10 1pkl n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pkl s VAL 47 N -2.24 1.15 -0.33 0.44 1.01 -1.10 -2.22 120.40 117.10 1pkl s VAL 47 Ca -0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1pkl s VAL 47 Cb 0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1pkl s VAL 47 CO 0.39 0.34 0.17 0.00 0.00 0.00 0.00 175.10 176.00 1pkl s ALA 48 N 0.14 3.30 -0.14 5.51 0.00 -0.18 -1.00 121.76 129.38 1pkl s ALA 48 Ca -0.04 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 1pkl s ALA 48 Cb -0.11 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1pkl s ALA 48 CO 0.02 -1.01 0.30 0.50 0.00 0.00 0.00 175.76 175.57 1pkl s ARG 49 N 1.61 4.19 -0.33 0.00 3.52 0.74 -1.43 118.95 127.25 1pkl s ARG 49 Ca 0.04 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.68 1pkl s ARG 49 Cb -0.18 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1pkl s ARG 49 CO 0.07 0.30 0.13 -1.64 -0.81 0.00 0.00 175.30 173.35 1pkl s MET 50 N 0.28 2.93 -0.68 5.12 -1.94 0.38 -1.18 119.30 124.20 1pkl s MET 50 Ca 0.17 -0.98 -0.26 0.00 -1.71 0.00 0.00 55.69 52.91 1pkl s MET 50 Cb -0.13 -3.53 0.04 0.00 2.01 0.00 0.00 34.83 33.22 1pkl s MET 50 CO 0.05 -0.57 1.16 1.21 -0.01 0.00 0.00 175.02 176.86 1pkl s ASN 51 N 1.51 6.23 0.00 3.03 3.84 -1.26 -0.33 114.94 127.95 1pkl s ASN 51 Ca 0.02 -0.47 0.15 0.00 0.21 0.00 0.00 52.86 52.77 1pkl s ASN 51 Cb -0.18 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.87 1pkl s ASN 51 CO 0.04 -1.63 1.44 0.49 -2.79 0.00 0.00 177.10 174.65 1pkl n PHE 52 N 8.68 0.00 1.57 0.43 3.01 0.02 -3.54 117.46 127.63 1pkl n PHE 52 Ca 0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.62 1pkl n PHE 52 Cb 0.48 0.00 0.78 0.00 -0.01 0.00 0.00 39.48 40.74 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 -3.69 4.37 3.41 -1.26 -4.59 113.62 111.08 1pkl n SER 53 Ca 0.11 -0.49 -0.11 0.00 -0.26 0.00 0.00 58.87 58.12 1pkl n SER 53 Cb 0.05 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.30 -0.64 0.00 7.33 3.76 -1.23 -5.05 115.29 117.16 1pkl s HIS 54 Ca 0.35 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.65 1pkl s HIS 54 Cb 0.19 0.29 0.00 0.00 1.11 0.00 0.00 32.58 34.17 1pkl s HIS 54 CO 0.39 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 1pkl n GLY 55 N 3.86 2.48 3.93 -2.22 0.00 -1.26 -4.91 105.19 107.07 1pkl n GLY 55 Ca -0.20 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 5.06 0.61 1.61 1.04 -1.26 -4.92 113.70 115.85 1pkl s SER 56 Ca 0.00 0.52 0.32 0.00 0.48 0.00 0.00 55.95 57.27 1pkl s SER 56 Cb 0.00 -1.28 1.88 0.00 0.10 0.00 0.00 66.02 66.72 1pkl s SER 56 CO 0.00 -1.42 2.20 0.45 0.98 0.00 0.00 173.24 175.45 1pkl h HIS 57 N -0.45 0.00 0.04 5.02 -0.00 -1.99 -0.90 115.15 116.87 1pkl h HIS 57 Ca -0.45 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 59.70 1pkl h HIS 57 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.70 1pkl h HIS 57 CO 0.38 0.00 -1.00 0.93 -0.00 0.00 0.00 177.93 178.23 1pkl h GLU 58 N 0.00 0.23 -0.24 2.45 5.08 -1.99 -1.70 114.58 118.42 1pkl h GLU 58 Ca 0.03 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1pkl h GLU 58 Cb 0.21 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1pkl h GLU 58 CO -0.00 1.06 -0.02 -0.92 -1.00 0.00 0.00 179.01 178.13 1pkl h TYR 59 N 0.11 0.47 0.00 4.33 3.20 -1.54 -2.91 116.97 120.63 1pkl h TYR 59 Ca -0.07 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 1pkl h TYR 59 Cb 1.68 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 1pkl h TYR 59 CO 0.04 0.62 -0.32 0.45 -1.64 0.00 0.00 178.16 177.31 1pkl h HIS 60 N 0.19 0.00 -0.38 -3.82 3.86 -1.48 -2.70 115.15 110.81 1pkl h HIS 60 Ca 0.06 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 1pkl h HIS 60 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1pkl h HIS 60 CO 0.04 0.32 -0.16 0.37 0.86 0.00 0.00 177.93 179.36 1pkl h GLN 61 N 0.00 0.71 -0.49 2.45 5.75 -1.23 -0.56 115.11 121.75 1pkl h GLN 61 Ca -0.00 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.19 1pkl h GLN 61 Cb 0.87 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1pkl h GLN 61 CO 0.04 0.84 0.09 1.15 -2.65 0.00 0.00 178.83 178.30 1pkl h THR 62 N 0.64 1.25 -0.32 2.39 2.02 -1.28 -0.90 112.91 116.70 1pkl h THR 62 Ca 0.10 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1pkl h THR 62 Cb 0.63 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1pkl h THR 62 CO 0.04 0.32 0.19 0.74 0.37 0.00 0.00 175.52 177.18 1pkl h THR 63 N 0.68 1.12 -0.39 3.16 2.02 -1.29 0.11 112.91 118.32 1pkl h THR 63 Ca 0.15 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1pkl h THR 63 Cb 0.38 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1pkl h THR 63 CO 0.01 0.12 0.18 0.40 0.37 0.00 0.00 175.52 176.59 1pkl h ILE 64 N 0.41 0.94 -0.44 3.11 2.04 -0.89 0.07 117.51 122.76 1pkl h ILE 64 Ca 0.11 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 1pkl h ILE 64 Cb 0.03 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1pkl h ILE 64 CO -0.02 0.07 -0.21 0.78 0.00 0.00 0.00 178.15 178.77 1pkl h ASN 65 N 0.36 0.94 0.14 1.72 2.35 -0.84 -2.27 115.58 117.99 1pkl h ASN 65 Ca 0.17 -0.40 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 1pkl h ASN 65 Cb 0.11 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1pkl h ASN 65 CO -0.14 1.13 -0.46 0.78 -1.65 0.00 0.00 177.43 177.10 1pkl h ASN 66 N 0.75 0.41 -0.22 5.81 2.35 -0.56 -2.09 115.58 122.02 1pkl h ASN 66 Ca 0.10 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1pkl h ASN 66 Cb 0.78 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1pkl h ASN 66 CO 0.06 0.81 -0.12 0.58 -1.65 0.00 0.00 177.43 177.11 1pkl h VAL 67 N 0.31 1.31 -0.70 2.81 2.07 -0.95 -0.57 116.25 120.53 1pkl h VAL 67 Ca 0.02 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1pkl h VAL 67 Cb 0.92 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1pkl h VAL 67 CO 0.08 0.37 0.41 0.03 0.02 0.00 0.00 177.57 178.48 1pkl h ARG 68 N 0.17 0.74 -0.04 1.57 -0.00 -1.30 -0.93 114.38 114.60 1pkl h ARG 68 Ca 0.05 -0.04 -0.22 0.00 -0.50 0.00 0.00 59.98 59.26 1pkl h ARG 68 Cb 0.62 -0.17 0.02 0.00 0.00 0.00 0.00 29.97 30.44 1pkl h ARG 68 CO 0.03 0.49 -0.85 0.37 0.00 0.00 0.00 179.97 180.02 1pkl h GLN 69 N 0.77 0.65 -0.58 0.04 4.15 -1.36 -1.05 115.11 117.72 1pkl h GLN 69 Ca 0.30 -0.64 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 1pkl h GLN 69 Cb 0.14 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1pkl h GLN 69 CO -0.16 1.25 0.32 0.00 -1.93 0.00 0.00 178.83 178.30 1pkl h ALA 70 N 0.42 0.74 -0.25 3.38 0.00 -0.93 -0.08 119.26 122.55 1pkl h ALA 70 Ca -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1pkl h ALA 70 Cb 1.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1pkl h ALA 70 CO 0.17 0.26 0.03 0.00 0.00 0.00 0.00 179.25 179.70 1pkl h ALA 71 N 1.15 0.33 -0.27 0.00 0.00 -1.21 -2.38 119.26 116.88 1pkl h ALA 71 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1pkl h ALA 71 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1pkl h ALA 71 CO -0.03 0.03 0.11 0.00 0.00 0.00 0.00 179.25 179.36 1pkl h ALA 72 N 0.84 0.31 -0.51 0.00 0.00 -1.01 0.11 119.26 118.99 1pkl h ALA 72 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1pkl h ALA 72 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1pkl h ALA 72 CO 0.01 -0.29 0.34 0.93 0.00 0.00 0.00 179.25 180.24 1pkl h GLU 73 N 0.24 0.55 0.00 0.00 5.08 -0.93 -2.04 114.58 117.48 1pkl h GLU 73 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1pkl h GLU 73 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1pkl h GLU 73 CO -0.10 0.36 -0.90 -0.07 -1.00 0.00 0.00 179.01 177.30 1pkl h LEU 74 N 0.56 0.00 0.00 1.33 3.38 -1.05 -3.49 115.31 116.04 1pkl h LEU 74 Ca 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pkl h LEU 74 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pkl h LEU 74 CO -0.05 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1pkl n GLY 75 N 1.23 0.73 3.71 0.83 0.00 0.29 -5.09 105.19 106.90 1pkl n GLY 75 Ca 0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 1.50 -0.20 1.61 -7.23 -0.59 -5.02 120.40 108.47 1pkl s VAL 76 Ca 0.00 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1pkl s VAL 76 Cb 0.00 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1pkl s VAL 76 CO 0.00 0.00 -0.13 0.20 -0.31 0.00 0.00 175.10 174.86 1pkl s ASN 77 N -3.83 3.68 -0.10 4.85 0.01 -1.26 -4.35 114.94 113.94 1pkl s ASN 77 Ca 0.18 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1pkl s ASN 77 Cb 0.05 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 1pkl s ASN 77 CO 0.09 -0.03 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.84 1pkl s ILE 78 N 1.34 2.57 0.47 0.60 -1.09 -1.26 -4.78 121.20 119.05 1pkl s ILE 78 Ca 0.04 -0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 57.40 1pkl s ILE 78 Cb -0.14 -2.02 -0.08 0.00 -1.58 0.00 0.00 42.46 38.63 1pkl s ILE 78 CO -0.09 0.55 1.06 0.00 -1.23 0.00 0.00 174.94 175.23 1pkl s ALA 79 N 0.20 2.90 -0.18 9.38 0.00 -0.94 -4.91 121.76 128.21 1pkl s ALA 79 Ca -0.11 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1pkl s ALA 79 Cb -0.16 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1pkl s ALA 79 CO 0.06 -0.36 -0.18 0.42 0.00 0.00 0.00 175.76 175.70 1pkl s ILE 80 N -1.86 2.26 -0.09 0.00 1.01 -1.26 -1.00 121.20 120.26 1pkl s ILE 80 Ca 0.66 -0.88 0.02 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 0.23 0.52 -0.13 0.00 0.00 0.00 0.00 174.94 175.56 1pkl s ALA 81 N 1.25 2.66 -0.39 9.38 0.00 -0.51 -1.22 121.76 132.92 1pkl s ALA 81 Ca 0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1pkl s ALA 81 Cb -0.14 -1.08 0.06 0.00 0.00 0.00 0.00 23.12 21.96 1pkl s ALA 81 CO -0.10 0.42 0.21 -1.17 0.00 0.00 0.00 175.76 175.12 1pkl s LEU 82 N -0.26 4.85 -0.42 0.00 0.20 -0.75 -0.47 118.68 121.83 1pkl s LEU 82 Ca 0.02 -1.32 -0.23 0.00 0.69 0.00 0.00 54.13 53.28 1pkl s LEU 82 Cb -0.13 -1.96 0.02 0.00 -0.43 0.00 0.00 46.19 43.69 1pkl s LEU 82 CO 0.03 -0.45 0.81 -0.62 -0.29 0.00 0.00 176.35 175.82 1pkl s ASP 83 N 1.80 6.48 0.60 3.68 -1.08 0.55 -1.33 116.67 127.37 1pkl s ASP 83 Ca 0.02 0.12 -0.19 0.00 -0.52 0.00 0.00 52.55 51.97 1pkl s ASP 83 Cb -0.21 -2.40 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 1pkl s ASP 83 CO 0.03 -0.86 1.26 -0.89 0.52 0.00 0.00 175.17 175.23 1pkl s THR 84 N 3.28 2.35 0.08 1.71 2.01 -0.67 -0.80 115.64 123.61 1pkl s THR 84 Ca 0.32 0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.44 1pkl s THR 84 Cb -0.12 -3.10 -0.25 0.00 0.01 0.00 0.00 72.50 69.04 1pkl s THR 84 CO 0.21 -0.04 1.17 0.50 -0.69 0.00 0.00 174.62 175.77 1pkl h LYS 85 N 0.92 0.52 -1.29 4.92 3.64 -1.90 -3.39 116.57 119.98 1pkl h LYS 85 Ca -0.51 -0.66 0.15 0.00 -1.27 0.00 0.00 60.65 58.37 1pkl h LYS 85 Cb 1.31 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 33.30 1pkl h LYS 85 CO 0.55 1.27 -0.25 0.41 -2.27 0.00 0.00 179.45 179.17 1pkl n GLY 86 N 1.25 -1.70 3.78 5.01 0.00 -1.26 -4.89 105.19 107.38 1pkl n GLY 86 Ca -0.11 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.75 3.56 -0.13 1.61 0.04 -1.26 -4.89 135.00 132.18 1pkl s PRO 87 Ca 0.00 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 1pkl s PRO 87 Cb 0.00 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1pkl s PRO 87 CO 0.00 -0.67 0.32 -1.83 0.04 0.00 0.00 177.00 174.87 1pkl s GLU 88 N -3.18 0.33 -0.48 4.56 -1.05 -1.26 -4.98 118.70 112.63 1pkl s GLU 88 Ca 0.70 0.58 -0.16 0.00 -0.15 0.00 0.00 54.97 55.93 1pkl s GLU 88 Cb -0.22 0.02 0.07 0.00 -0.44 0.00 0.00 34.13 33.56 1pkl s GLU 88 CO 0.26 -0.12 0.45 0.42 0.95 0.00 0.00 175.26 177.22 1pkl s ILE 89 N 0.89 5.14 0.48 1.83 1.01 -1.26 -4.96 121.20 124.33 1pkl s ILE 89 Ca -0.06 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.74 1pkl s ILE 89 Cb -0.07 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.28 1pkl s ILE 89 CO -0.06 -0.63 0.39 0.54 0.00 0.00 0.00 174.94 175.18 1pkl n ARG 90 N 5.46 0.77 -3.81 2.79 1.74 -1.26 0.67 116.66 123.02 1pkl n ARG 90 Ca -0.11 -2.96 -0.23 0.00 -0.77 0.00 0.00 57.85 53.78 1pkl n ARG 90 Cb 0.44 0.27 -0.04 0.00 -1.02 0.00 0.00 32.46 32.11 1pkl n ARG 90 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pkl s THR 91 N -2.35 2.28 0.00 0.55 -4.23 -0.50 -2.81 115.64 108.59 1pkl s THR 91 Ca 0.30 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1pkl s THR 91 Cb -0.02 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1pkl s THR 91 CO 0.19 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1pkl n GLY 92 N -1.52 -0.14 3.94 3.99 0.00 -0.73 -3.87 105.19 106.86 1pkl n GLY 92 Ca 0.01 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.62 2.87 0.19 1.61 -0.21 -0.92 -2.52 119.66 120.06 1pkl s GLN 93 Ca 0.00 -0.31 0.10 0.00 0.02 0.00 0.00 55.36 55.17 1pkl s GLN 93 Cb 0.00 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 1pkl s GLN 93 CO 0.00 -0.58 -0.20 -0.06 -2.12 0.00 0.00 175.29 172.33 1pkl s PHE 94 N -2.81 2.04 -0.34 0.91 0.08 -1.26 -2.60 117.98 113.99 1pkl s PHE 94 Ca 0.53 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.87 1pkl s PHE 94 Cb -0.10 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.35 1pkl s PHE 94 CO 0.41 0.43 1.29 0.08 -0.10 0.00 0.00 175.22 177.34 1pkl s VAL 95 N -1.98 4.12 0.00 -0.44 1.01 0.51 -1.73 120.40 121.89 1pkl s VAL 95 Ca 0.19 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1pkl s VAL 95 Cb -0.06 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1pkl s VAL 95 CO 0.09 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1pkl n GLY 96 N 4.49 0.75 2.26 4.51 0.00 -1.26 -4.17 105.19 111.77 1pkl n GLY 96 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1pkl n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkl n GLY 97 N -2.44 0.22 3.37 -0.02 0.00 -0.71 -4.91 105.19 100.70 1pkl n GLY 97 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1pkl n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkl s ASP 98 N -2.07 -0.29 -0.29 1.61 2.15 -1.26 -3.83 116.67 112.69 1pkl s ASP 98 Ca 0.00 -0.31 0.06 0.00 0.43 0.00 0.00 52.55 52.73 1pkl s ASP 98 Cb 0.00 0.51 0.20 0.00 -0.30 0.00 0.00 42.92 43.33 1pkl s ASP 98 CO 0.00 -0.91 0.58 0.00 -0.17 0.00 0.00 175.17 174.67 1pkl s ALA 99 N -3.81 -2.34 -0.72 3.66 0.00 -0.76 -4.43 121.76 113.36 1pkl s ALA 99 Ca 0.04 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 1pkl s ALA 99 Cb 0.01 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.61 1pkl s ALA 99 CO -0.10 -1.84 1.54 0.08 0.00 0.00 0.00 175.76 175.43 1pkl s VAL 100 N 2.78 3.58 0.25 0.00 1.01 -1.26 -2.57 120.40 124.19 1pkl s VAL 100 Ca 0.10 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 1pkl s VAL 100 Cb -0.10 -4.52 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 1pkl s VAL 100 CO -0.26 -1.47 0.89 -0.04 0.00 0.00 0.00 175.10 174.22 1pkl s MET 101 N 6.23 4.65 0.04 2.72 -1.94 -0.89 -4.94 119.30 125.17 1pkl s MET 101 Ca 0.49 1.31 0.03 0.00 -1.71 0.00 0.00 55.69 55.81 1pkl s MET 101 Cb -0.09 -3.08 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 1pkl s MET 101 CO 0.15 0.44 -0.09 -1.21 -0.01 0.00 0.00 175.02 174.29 1pkl s GLU 102 N -1.54 0.61 0.60 2.03 2.02 -1.26 -1.96 118.70 119.20 1pkl s GLU 102 Ca 0.43 -0.74 -0.18 0.00 0.02 0.00 0.00 54.97 54.51 1pkl s GLU 102 Cb -0.22 -0.46 -0.09 0.00 0.10 0.00 0.00 34.13 33.47 1pkl s GLU 102 CO 0.27 0.10 0.42 0.54 0.02 0.00 0.00 175.26 176.61 1pkl n ARG 103 N 1.61 0.40 0.00 1.61 1.74 -1.26 -2.22 116.66 118.54 1pkl n ARG 103 Ca -0.21 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1pkl n ARG 103 Cb 0.55 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1pkl n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pkl n GLY 104 N 1.87 0.72 3.75 -0.13 0.00 0.07 -4.92 105.19 106.55 1pkl n GLY 104 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.14 3.77 -0.00 4.61 0.00 -0.94 -4.61 121.76 124.44 1pkl s ALA 105 Ca 0.00 1.58 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 1pkl s ALA 105 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 1pkl s ALA 105 CO 0.00 -0.98 0.47 0.99 0.00 0.00 0.00 175.76 176.24 1pkl s THR 106 N 0.10 4.97 0.16 0.00 2.01 -1.26 -0.37 115.64 121.25 1pkl s THR 106 Ca 0.64 0.98 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 1pkl s THR 106 Cb -0.48 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1pkl s THR 106 CO 0.47 0.52 0.08 0.00 -0.69 0.00 0.00 174.62 175.00 1pkl s TYR 108 N -4.06 2.57 -0.27 0.00 2.02 0.45 -0.67 117.35 117.38 1pkl s TYR 108 Ca 0.30 -1.39 -0.09 0.00 -0.37 0.00 0.00 57.07 55.52 1pkl s TYR 108 Cb 0.07 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1pkl s TYR 108 CO 0.06 -0.68 0.12 0.08 -1.57 0.00 0.00 175.55 173.56 1pkl s VAL 109 N 1.09 4.61 0.36 0.71 1.01 -0.14 -1.77 120.40 126.26 1pkl s VAL 109 Ca -0.01 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1pkl s VAL 109 Cb -0.14 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 1pkl s VAL 109 CO -0.07 0.26 -0.05 0.28 0.00 0.00 0.00 175.10 175.51 1pkl s THR 110 N 1.65 2.06 -0.31 3.92 -1.32 -0.02 -0.43 115.64 121.18 1pkl s THR 110 Ca 0.06 -2.13 0.13 0.00 -1.21 0.00 0.00 61.69 58.54 1pkl s THR 110 Cb -0.16 -2.74 -0.17 0.00 -1.51 0.00 0.00 72.50 67.93 1pkl s THR 110 CO 0.06 -0.14 0.41 0.41 -2.21 0.00 0.00 174.62 173.14 1pkl n THR 111 N -0.82 0.00 -1.63 5.08 -1.04 -0.26 -2.00 114.28 113.61 1pkl n THR 111 Ca -0.05 -0.25 -0.48 0.00 -2.04 0.00 0.00 64.05 61.23 1pkl n THR 111 Cb 0.65 0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 69.72 1pkl n THR 111 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pkl n ASP 112 N -1.61 3.22 0.21 8.00 2.03 -1.26 -4.87 116.55 122.27 1pkl n ASP 112 Ca 0.00 0.77 0.18 0.00 0.52 0.00 0.00 54.79 56.26 1pkl n ASP 112 Cb 0.26 -1.38 0.84 0.00 -0.72 0.00 0.00 41.12 40.12 1pkl n ASP 112 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1pkl h PRO 113 N 10.59 0.00 0.00 -0.67 0.11 -1.98 -2.57 132.00 137.48 1pkl h PRO 113 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1pkl h PRO 113 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pkl h PRO 113 CO 0.96 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.62 1pkl h ALA 114 N 1.64 1.27 -0.40 -0.75 0.00 -2.02 -2.62 119.26 116.38 1pkl h ALA 114 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pkl h ALA 114 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1pkl h ALA 114 CO -0.00 0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.61 1pkl n PHE 115 N -3.64 1.12 0.66 0.00 3.01 -0.97 -4.30 117.46 113.35 1pkl n PHE 115 Ca -0.02 -0.42 0.06 0.00 1.01 0.00 0.00 57.45 58.09 1pkl n PHE 115 Cb 0.26 -0.26 0.34 0.00 -0.01 0.00 0.00 39.48 39.82 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl n ALA 116 N 0.55 1.80 -0.15 4.37 0.00 -0.99 -3.40 120.51 122.69 1pkl n ALA 116 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1pkl n ALA 116 Cb 0.72 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1pkl n ALA 116 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pkl n ASP 117 N -1.23 0.00 -1.09 0.00 5.68 -1.26 -2.17 116.55 116.47 1pkl n ASP 117 Ca 0.07 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.42 1pkl n ASP 117 Cb 0.09 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.30 1pkl n ASP 117 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pkl n LYS 118 N 0.00 2.71 -1.70 0.11 5.02 -1.22 -4.31 118.16 118.77 1pkl n LYS 118 Ca 0.00 -1.78 -0.41 0.00 -2.02 0.00 0.00 58.31 54.09 1pkl n LYS 118 Cb 0.00 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 33.36 1pkl n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkl n GLY 119 N 0.82 0.54 3.30 0.72 0.00 -1.07 -4.70 105.19 104.79 1pkl n GLY 119 Ca 0.16 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.17 0.01 0.07 2.61 -4.23 -0.58 -0.37 115.64 111.98 1pkl s THR 120 Ca 0.59 -1.83 0.31 0.00 -1.18 0.00 0.00 61.69 59.59 1pkl s THR 120 Cb -0.52 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.26 1pkl s THR 120 CO 0.59 -0.04 1.94 0.07 -0.54 0.00 0.00 174.62 176.65 1pkl h LYS 121 N 2.54 0.00 0.19 3.99 2.10 -1.91 -2.49 116.57 121.00 1pkl h LYS 121 Ca -0.33 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 57.98 1pkl h LYS 121 Cb 1.25 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1pkl h LYS 121 CO 0.49 0.00 -1.64 -0.44 -2.00 0.00 0.00 179.45 175.86 1pkl h ASP 122 N 0.00 0.63 -2.82 7.07 3.32 -1.93 -3.44 116.42 119.25 1pkl h ASP 122 Ca 0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 57.03 56.10 1pkl h ASP 122 Cb 0.13 -0.20 -0.23 0.00 0.22 0.00 0.00 39.33 39.24 1pkl h ASP 122 CO 0.00 1.75 -0.16 -0.75 -1.72 0.00 0.00 179.24 178.36 1pkl s LYS 123 N -2.56 0.54 0.21 3.56 2.20 -0.94 -0.41 119.74 122.33 1pkl s LYS 123 Ca -0.15 1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1pkl s LYS 123 Cb 0.05 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.58 1pkl s LYS 123 CO 0.86 -0.18 0.19 -0.59 -0.36 0.00 0.00 175.35 175.27 1pkl s PHE 124 N 1.94 1.08 0.34 4.03 -0.71 -0.73 -1.53 117.98 122.39 1pkl s PHE 124 Ca -0.08 -1.30 -0.02 0.00 -1.04 0.00 0.00 56.93 54.49 1pkl s PHE 124 Cb -0.08 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1pkl s PHE 124 CO -0.17 -0.70 0.57 -0.47 -1.34 0.00 0.00 175.22 173.11 1pkl s TYR 125 N -4.10 3.50 -0.21 3.49 5.04 -1.25 -0.84 117.35 122.99 1pkl s TYR 125 Ca 0.37 0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 55.44 1pkl s TYR 125 Cb 0.06 -1.99 0.10 0.00 0.35 0.00 0.00 41.96 40.48 1pkl s TYR 125 CO 0.12 0.10 0.30 0.42 -1.34 0.00 0.00 175.55 175.16 1pkl s ILE 126 N -2.28 -0.47 -1.94 3.14 1.01 -0.85 -1.77 121.20 118.04 1pkl s ILE 126 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1pkl s ILE 126 Cb -0.10 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1pkl s ILE 126 CO 0.35 -0.10 0.38 -0.90 0.00 0.00 0.00 174.94 174.66 1pkl n ASP 127 N 5.35 0.00 -4.42 3.58 5.68 -1.12 -4.47 116.55 121.14 1pkl n ASP 127 Ca -0.05 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.80 1pkl n ASP 127 Cb 0.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1pkl n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pkl s TYR 128 N -1.96 2.91 -0.19 2.11 5.04 -1.26 -4.92 117.35 119.07 1pkl s TYR 128 Ca 0.00 -0.90 0.23 0.00 -2.44 0.00 0.00 57.07 53.96 1pkl s TYR 128 Cb 0.00 -4.18 1.21 0.00 0.35 0.00 0.00 41.96 39.34 1pkl s TYR 128 CO 0.00 -1.47 1.69 1.04 -1.34 0.00 0.00 175.55 175.47 1pkl n GLN 129 N 6.88 0.15 -0.28 4.97 6.02 -1.26 -1.44 117.38 132.42 1pkl n GLN 129 Ca -0.00 0.63 0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1pkl n GLN 129 Cb 0.45 -1.97 0.25 0.00 1.02 0.00 0.00 30.24 29.99 1pkl n GLN 129 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pkl n ASN 130 N -2.29 3.54 -0.18 1.08 3.02 -1.26 -4.70 115.26 114.46 1pkl n ASN 130 Ca -0.01 -1.98 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 1pkl n ASN 130 Cb 0.05 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 1pkl n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pkl h LEU 131 N 3.68 -1.67 -1.23 3.41 5.85 -1.63 -0.65 115.31 123.08 1pkl h LEU 131 Ca 0.00 0.25 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1pkl h LEU 131 Cb 0.91 0.72 -0.06 0.00 0.37 0.00 0.00 40.66 42.60 1pkl h LEU 131 CO 0.00 -0.36 0.55 -1.28 -0.34 0.00 0.00 178.44 177.01 1pkl h SER 132 N -0.29 0.81 1.45 1.25 0.87 -1.84 -0.06 113.55 115.73 1pkl h SER 132 Ca 0.13 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1pkl h SER 132 Cb 0.57 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1pkl h SER 132 CO -0.65 0.50 -0.35 0.07 -0.53 0.00 0.00 176.83 175.87 1pkl h LYS 133 N 0.91 0.00 0.12 2.24 2.10 -1.68 -3.29 116.57 116.97 1pkl h LYS 133 Ca 0.38 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.69 1pkl h LYS 133 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1pkl h LYS 133 CO -0.14 0.35 -1.75 0.28 -2.00 0.00 0.00 179.45 176.19 1pkl h VAL 134 N 0.00 0.90 -4.38 0.07 2.07 -0.52 -3.47 116.25 110.92 1pkl h VAL 134 Ca -0.00 -2.57 -0.51 0.00 0.82 0.00 0.00 66.70 64.44 1pkl h VAL 134 Cb 1.17 2.64 0.06 0.00 -1.52 0.00 0.00 31.29 33.65 1pkl h VAL 134 CO 0.05 0.81 0.42 -0.69 0.02 0.00 0.00 177.57 178.18 1pkl s VAL 135 N -2.59 4.52 0.06 2.57 1.01 -0.09 -4.81 120.40 121.07 1pkl s VAL 135 Ca -0.14 0.82 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 1pkl s VAL 135 Cb 0.06 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1pkl s VAL 135 CO 0.83 -1.07 0.06 -0.13 0.00 0.00 0.00 175.10 174.78 1pkl s ARG 136 N -5.20 0.69 0.18 2.72 0.52 -1.26 -4.91 118.95 111.69 1pkl s ARG 136 Ca 0.56 -1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 1pkl s ARG 136 Cb -0.11 0.26 -0.09 0.00 0.52 0.00 0.00 34.95 35.53 1pkl s ARG 136 CO 0.54 -0.17 1.32 -1.25 0.02 0.00 0.00 175.30 175.76 1pkl s PRO 137 N -3.79 4.38 0.00 3.54 0.04 -1.26 -2.63 135.00 135.27 1pkl s PRO 137 Ca 0.05 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1pkl s PRO 137 Cb 0.06 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1pkl s PRO 137 CO -0.10 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1pkl n GLY 138 N 2.57 2.55 3.68 0.56 0.00 -0.22 -4.94 105.19 109.38 1pkl n GLY 138 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.17 2.63 0.16 1.61 0.02 -1.08 -4.78 114.94 112.32 1pkl s ASN 139 Ca 0.00 1.18 0.11 0.00 -1.02 0.00 0.00 52.86 53.14 1pkl s ASN 139 Cb 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 41.25 39.38 1pkl s ASN 139 CO 0.00 -3.13 -0.25 -0.31 0.02 0.00 0.00 177.10 173.43 1pkl s TYR 140 N -2.97 2.31 -0.16 2.20 2.02 -1.26 -1.74 117.35 117.76 1pkl s TYR 140 Ca 0.65 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1pkl s TYR 140 Cb -0.18 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1pkl s TYR 140 CO 0.57 0.41 -0.09 0.42 -1.57 0.00 0.00 175.55 175.30 1pkl s ILE 141 N -1.32 1.30 -0.17 2.71 1.01 0.33 -4.18 121.20 120.88 1pkl s ILE 141 Ca 0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1pkl s ILE 141 Cb -0.09 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1pkl s ILE 141 CO 0.08 0.27 0.23 -0.31 0.00 0.00 0.00 174.94 175.21 1pkl s TYR 142 N 1.57 3.46 0.01 3.97 2.02 -0.27 -0.85 117.35 127.26 1pkl s TYR 142 Ca 0.02 0.51 0.04 0.00 -0.37 0.00 0.00 57.07 57.28 1pkl s TYR 142 Cb -0.14 -2.25 -0.01 0.00 -0.40 0.00 0.00 41.96 39.15 1pkl s TYR 142 CO -0.09 0.29 -0.14 0.42 -1.57 0.00 0.00 175.55 174.47 1pkl s ILE 143 N 0.31 1.10 -0.47 2.71 1.01 -0.09 0.44 121.20 126.21 1pkl s ILE 143 Ca 0.14 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 1pkl s ILE 143 Cb -0.12 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1pkl s ILE 143 CO 0.02 0.21 0.43 -0.67 0.00 0.00 0.00 174.94 174.94 1pkl n ASP 144 N 2.47 -5.39 -1.95 3.58 2.03 0.35 -1.63 116.55 116.02 1pkl n ASP 144 Ca -0.15 -0.09 -0.20 0.00 0.52 0.00 0.00 54.79 54.87 1pkl n ASP 144 Cb 0.55 -3.55 -0.05 0.00 -0.72 0.00 0.00 41.12 37.35 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 -1.59 -5.38 0.00 1.67 2.03 -1.26 -1.80 116.55 110.22 1pkl n ASP 145 Ca -0.01 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1pkl n ASP 145 Cb 0.51 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.26 1pkl n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkl n GLY 146 N -0.64 0.65 0.09 0.27 0.00 -1.24 -4.94 105.19 99.37 1pkl n GLY 146 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1pkl n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pkl h ILE 147 N 0.00 1.39 -3.38 -0.61 2.04 -1.30 -3.43 117.51 112.22 1pkl h ILE 147 Ca 0.00 -1.26 -0.58 0.00 1.00 0.00 0.00 64.86 64.02 1pkl h ILE 147 Cb 0.00 2.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 1pkl h ILE 147 CO 0.00 0.34 0.14 -0.22 0.00 0.00 0.00 178.15 178.41 1pkl s LEU 148 N -9.13 4.21 -0.18 1.44 2.96 -0.65 -4.97 118.68 112.36 1pkl s LEU 148 Ca -0.15 0.99 -0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1pkl s LEU 148 Cb 0.03 -2.99 0.01 0.00 0.50 0.00 0.00 46.19 43.74 1pkl s LEU 148 CO 0.71 -0.23 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.73 1pkl s ILE 149 N 1.56 2.57 0.13 6.68 1.01 -1.26 -0.92 121.20 130.96 1pkl s ILE 149 Ca 0.32 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1pkl s ILE 149 Cb -0.16 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1pkl s ILE 149 CO 0.13 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.62 1pkl s LEU 150 N 1.14 2.64 -0.13 2.97 1.43 -0.03 -2.03 118.68 124.68 1pkl s LEU 150 Ca 0.01 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1pkl s LEU 150 Cb -0.14 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1pkl s LEU 150 CO -0.06 0.17 -0.17 -1.58 0.23 0.00 0.00 176.35 174.94 1pkl s GLN 151 N -2.23 2.53 0.36 1.70 0.74 -0.65 -0.51 119.66 121.60 1pkl s GLN 151 Ca 0.18 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.65 1pkl s GLN 151 Cb -0.10 -2.14 -0.10 0.00 1.10 0.00 0.00 33.01 31.77 1pkl s GLN 151 CO 0.10 -0.09 1.30 0.08 -0.55 0.00 0.00 175.29 176.13 1pkl s VAL 152 N 1.04 2.70 0.00 1.34 1.01 -0.71 -1.55 120.40 124.24 1pkl s VAL 152 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1pkl s VAL 152 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1pkl s VAL 152 CO -0.04 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.19 1pkl n GLN 153 N 0.50 1.63 -3.71 2.72 6.02 -0.01 -1.06 117.38 123.47 1pkl n GLN 153 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.96 1pkl n GLN 153 Cb 0.43 -0.80 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 1pkl n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pkl s SER 154 N -2.62 -0.23 -0.27 1.08 1.04 -1.20 -4.76 113.70 106.74 1pkl s SER 154 Ca 0.00 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 1pkl s SER 154 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1pkl s SER 154 CO 0.00 -0.89 0.19 -1.00 0.98 0.00 0.00 173.24 172.52 1pkl s HIS 155 N -3.33 3.25 0.12 5.02 3.76 -1.26 -1.05 115.29 121.80 1pkl s HIS 155 Ca 0.11 0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 55.17 1pkl s HIS 155 Cb -0.02 -2.36 -0.14 0.00 1.11 0.00 0.00 32.58 31.17 1pkl s HIS 155 CO 0.00 -0.10 1.27 0.93 -0.85 0.00 0.00 174.74 175.98 1pkl h GLU 156 N 8.13 0.26 0.00 1.40 4.39 -1.47 -3.47 114.58 123.82 1pkl h GLU 156 Ca -0.36 -0.34 0.29 0.00 0.34 0.00 0.00 59.36 59.29 1pkl h GLU 156 Cb 1.18 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 1pkl h GLU 156 CO 0.58 1.09 0.77 -0.40 -1.16 0.00 0.00 179.01 179.89 1pkl n ASP 157 N -3.61 -1.14 0.02 1.42 5.68 -1.16 -4.95 116.55 112.82 1pkl n ASP 157 Ca -0.06 -1.30 0.01 0.00 -0.50 0.00 0.00 54.79 52.94 1pkl n ASP 157 Cb 0.90 1.78 0.07 0.00 -1.14 0.00 0.00 41.12 42.73 1pkl n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pkl n GLU 158 N -0.80 0.02 0.00 0.11 4.71 -1.26 -2.32 120.64 121.10 1pkl n GLU 158 Ca 0.03 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 1pkl n GLU 158 Cb 0.52 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1pkl n GLU 158 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pkl n GLN 159 N -1.54 1.12 -4.46 3.49 6.02 -1.26 -4.77 117.38 115.98 1pkl n GLN 159 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 1pkl n GLN 159 Cb 0.07 -0.94 -0.12 0.00 1.02 0.00 0.00 30.24 30.28 1pkl n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1pkl s THR 160 N -1.76 2.95 -0.01 5.09 2.01 -0.98 -1.10 115.64 121.84 1pkl s THR 160 Ca 0.00 -1.28 0.06 0.00 0.31 0.00 0.00 61.69 60.78 1pkl s THR 160 Cb 0.00 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1pkl s THR 160 CO 0.00 0.22 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.20 1pkl s LEU 161 N -1.80 2.04 -0.24 4.42 1.43 0.42 -1.14 118.68 123.81 1pkl s LEU 161 Ca 0.17 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 1pkl s LEU 161 Cb -0.11 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1pkl s LEU 161 CO 0.08 0.23 0.41 -0.70 0.23 0.00 0.00 176.35 176.60 1pkl s GLU 162 N -0.49 4.08 0.20 1.70 2.12 -0.22 -0.97 118.70 125.14 1pkl s GLU 162 Ca 0.07 0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.63 1pkl s GLU 162 Cb -0.07 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 1pkl s GLU 162 CO -0.01 -0.20 -0.15 0.00 -0.54 0.00 0.00 175.26 174.37 1pkl s THR 164 N -2.95 3.65 -0.53 0.00 2.01 -0.59 -0.96 115.64 116.28 1pkl s THR 164 Ca 0.22 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 1pkl s THR 164 Cb -0.01 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 69.99 1pkl s THR 164 CO 0.07 0.54 1.08 -0.69 -0.69 0.00 0.00 174.62 174.94 1pkl s VAL 165 N -0.13 4.22 -0.59 3.82 1.01 0.50 -1.64 120.40 127.58 1pkl s VAL 165 Ca 0.01 0.84 0.26 0.00 0.00 0.00 0.00 61.98 63.09 1pkl s VAL 165 Cb -0.13 -4.61 0.29 0.00 0.00 0.00 0.00 36.38 31.93 1pkl s VAL 165 CO 0.03 -1.13 1.75 0.71 0.00 0.00 0.00 175.10 176.47 1pkl h THR 166 N 6.14 0.00 -2.64 3.92 1.35 -1.72 0.22 112.91 120.18 1pkl h THR 166 Ca -0.24 -0.49 -0.10 0.00 -0.55 0.00 0.00 66.41 65.02 1pkl h THR 166 Cb 1.06 1.43 -0.22 0.00 -1.73 0.00 0.00 68.15 68.70 1pkl h THR 166 CO 1.12 0.00 -0.14 0.54 -0.25 0.00 0.00 175.52 176.79 1pkl s ASN 167 N -4.76 -0.43 0.14 5.36 4.22 -1.26 -4.77 114.94 113.45 1pkl s ASN 167 Ca 0.08 0.65 -0.31 0.00 -2.14 0.00 0.00 52.86 51.15 1pkl s ASN 167 Cb 0.10 0.70 -0.08 0.00 1.28 0.00 0.00 41.25 43.25 1pkl s ASN 167 CO 0.56 -0.32 1.30 -0.44 -2.04 0.00 0.00 177.10 176.16 1pkl s SER 168 N -0.46 6.93 -0.29 3.54 0.01 -1.26 -4.41 113.70 117.75 1pkl s SER 168 Ca -0.06 2.29 -0.21 0.00 1.31 0.00 0.00 55.95 59.28 1pkl s SER 168 Cb -0.03 -2.60 0.14 0.00 0.21 0.00 0.00 66.02 63.74 1pkl s SER 168 CO 0.03 -0.54 1.07 -2.28 0.41 0.00 0.00 173.24 171.93 1pkl s HIS 169 N 0.61 -0.44 -0.15 2.43 5.04 -0.83 -4.97 115.29 116.98 1pkl s HIS 169 Ca 0.59 0.98 -0.16 0.00 -1.54 0.00 0.00 55.06 54.94 1pkl s HIS 169 Cb -0.35 0.35 -0.04 0.00 0.04 0.00 0.00 32.58 32.58 1pkl s HIS 169 CO 0.34 -0.22 0.37 0.99 -2.34 0.00 0.00 174.74 173.88 1pkl s THR 170 N 0.70 5.25 -0.04 0.89 2.01 -1.26 -2.10 115.64 121.10 1pkl s THR 170 Ca -0.02 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.75 1pkl s THR 170 Cb -0.04 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1pkl s THR 170 CO -0.11 0.35 -0.25 0.27 -0.69 0.00 0.00 174.62 174.19 1pkl s ILE 171 N 0.66 1.99 0.00 1.82 -4.36 -1.06 -4.99 121.20 115.26 1pkl s ILE 171 Ca 0.20 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 1pkl s ILE 171 Cb -0.14 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 41.91 1pkl s ILE 171 CO 0.07 0.56 0.00 -1.54 0.24 0.00 0.00 174.94 174.26 1pkl n SER 172 N 2.73 0.00 -4.60 4.36 3.41 -1.26 -1.82 113.62 116.43 1pkl n SER 172 Ca -0.17 -0.58 -0.33 0.00 -0.26 0.00 0.00 58.87 57.54 1pkl n SER 172 Cb 0.52 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.60 1pkl n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pkl n ASP 173 N -1.74 -0.17 -2.17 4.04 8.00 -1.25 -4.30 116.55 118.96 1pkl n ASP 173 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1pkl n ASP 173 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.70 1pkl n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pkl n ARG 174 N -3.05 -0.01 -3.98 -1.24 1.74 -1.05 -4.94 116.66 104.14 1pkl n ARG 174 Ca 0.11 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1pkl n ARG 174 Cb 0.52 0.01 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 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 -1.75 3.26 0.44 5.56 0.52 -1.26 -4.63 118.95 121.08 1pkl s ARG 175 Ca 0.00 -0.45 -0.25 0.00 -0.52 0.00 0.00 55.73 54.51 1pkl s ARG 175 Cb 0.00 -2.97 -0.08 0.00 0.52 0.00 0.00 34.95 32.43 1pkl s ARG 175 CO 0.00 0.63 1.30 0.20 0.02 0.00 0.00 175.30 177.45 1pkl s GLY 176 N -2.13 2.90 0.08 -3.53 0.00 -1.26 -1.41 107.32 101.96 1pkl s GLY 176 Ca 0.29 1.23 0.09 0.00 0.00 0.00 0.00 44.72 46.32 1pkl s GLY 176 CO 0.21 1.79 -0.23 -1.34 0.00 0.00 0.00 173.10 173.52 1pkl s VAL 177 N -1.30 1.89 0.01 1.40 -7.23 0.21 -0.49 120.40 114.88 1pkl s VAL 177 Ca 0.60 -1.45 0.06 0.00 -1.81 0.00 0.00 61.98 59.39 1pkl s VAL 177 Cb -0.38 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1pkl s VAL 177 CO 0.47 0.13 -0.19 0.20 -0.31 0.00 0.00 175.10 175.41 1pkl s ASN 178 N -1.58 2.26 -0.71 4.85 0.01 0.17 -4.53 114.94 115.41 1pkl s ASN 178 Ca 0.09 -0.41 0.03 0.00 -0.71 0.00 0.00 52.86 51.87 1pkl s ASN 178 Cb -0.10 -0.22 0.17 0.00 0.41 0.00 0.00 41.25 41.51 1pkl s ASN 178 CO 0.03 0.19 0.52 -0.76 -1.51 0.00 0.00 177.10 175.57 1pkl s LEU 179 N -0.74 4.92 0.20 0.60 1.02 -1.26 -1.11 118.68 122.30 1pkl s LEU 179 Ca 0.07 -3.70 -0.02 0.00 0.02 0.00 0.00 54.13 50.50 1pkl s LEU 179 Cb -0.08 -1.70 0.41 0.00 0.02 0.00 0.00 46.19 44.85 1pkl s LEU 179 CO 0.00 -0.13 1.06 -2.65 0.02 0.00 0.00 176.35 174.65 1pkl n PRO 180 N 2.22 -0.06 -1.51 1.29 -0.02 -1.26 -2.08 135.00 133.58 1pkl n PRO 180 Ca 0.18 1.04 -0.10 0.00 -2.02 0.00 0.00 63.50 62.59 1pkl n PRO 180 Cb 0.35 -1.60 0.09 0.00 -0.02 0.00 0.00 33.50 32.33 1pkl n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkl n GLY 181 N -1.38 5.50 3.10 -1.23 0.00 -1.26 -4.87 105.19 105.03 1pkl n GLY 181 Ca 0.13 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.05 6.61 -0.26 0.00 1.11 -1.26 -4.92 116.67 117.89 1pkl s ASP 183 Ca -0.00 0.39 -0.13 0.00 0.18 0.00 0.00 52.55 52.98 1pkl s ASP 183 Cb -0.09 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1pkl s ASP 183 CO 0.01 -1.11 0.29 -0.69 1.18 0.00 0.00 175.17 174.85 1pkl s VAL 184 N 4.04 5.24 -0.18 -1.27 1.01 -1.26 -4.99 120.40 122.99 1pkl s VAL 184 Ca 0.43 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1pkl s VAL 184 Cb -0.09 -3.63 0.23 0.00 0.00 0.00 0.00 36.38 32.90 1pkl s VAL 184 CO 0.27 0.22 1.30 0.47 0.00 0.00 0.00 175.10 177.36 1pkl n ASP 185 N 5.03 3.23 -4.76 3.32 8.00 -1.26 -4.97 116.55 125.14 1pkl n ASP 185 Ca -0.11 -2.54 -0.39 0.00 0.71 0.00 0.00 54.79 52.46 1pkl n ASP 185 Cb 0.51 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1pkl n ASP 185 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pkl s LEU 186 N -1.12 4.10 0.29 0.64 1.43 -1.26 -4.95 118.68 117.81 1pkl s LEU 186 Ca 0.19 2.65 -0.30 0.00 -1.03 0.00 0.00 54.13 55.64 1pkl s LEU 186 Cb 0.16 -4.04 -0.11 0.00 0.03 0.00 0.00 46.19 42.23 1pkl s LEU 186 CO 0.04 -1.04 1.56 -2.16 0.23 0.00 0.00 176.35 174.98 1pkl s PRO 187 N -2.47 4.14 0.08 1.29 0.04 -1.26 -4.94 135.00 131.87 1pkl s PRO 187 Ca 0.61 2.54 -0.36 0.00 0.04 0.00 0.00 61.00 63.83 1pkl s PRO 187 Cb -0.37 -3.03 -0.18 0.00 0.04 0.00 0.00 34.50 30.95 1pkl s PRO 187 CO 0.47 -0.59 1.55 0.00 0.04 0.00 0.00 177.00 178.47 1pkl h ALA 188 N 4.71 -1.21 -2.29 8.56 0.00 -1.92 -3.39 119.26 123.71 1pkl h ALA 188 Ca -0.47 -0.22 -0.74 0.00 0.00 0.00 0.00 54.91 53.48 1pkl h ALA 188 Cb 1.22 0.68 -0.22 0.00 0.00 0.00 0.00 17.79 19.46 1pkl h ALA 188 CO 0.78 -1.21 -0.32 0.54 0.00 0.00 0.00 179.25 179.04 1pkl s VAL 189 N -5.85 5.23 1.23 0.00 0.11 -1.26 -4.48 120.40 115.38 1pkl s VAL 189 Ca -0.18 -1.07 -0.19 0.00 -2.93 0.00 0.00 61.98 57.61 1pkl s VAL 189 Cb 0.04 -4.14 0.30 0.00 -1.53 0.00 0.00 36.38 31.04 1pkl s VAL 189 CO 0.59 -0.59 1.05 -0.94 -3.33 0.00 0.00 175.10 171.88 1pkl s SER 190 N 2.64 0.62 0.24 3.54 1.04 -1.26 -4.75 113.70 115.77 1pkl s SER 190 Ca 0.04 0.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.29 1pkl s SER 190 Cb -0.24 -1.24 0.26 0.00 0.10 0.00 0.00 66.02 64.90 1pkl s SER 190 CO 0.07 -4.33 1.70 0.00 0.98 0.00 0.00 173.24 171.66 1pkl h ALA 191 N -2.72 1.00 -0.39 5.32 0.00 -1.97 -1.88 119.26 118.62 1pkl h ALA 191 Ca -0.48 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.00 1pkl h ALA 191 Cb 1.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1pkl h ALA 191 CO 0.38 0.60 -0.27 -0.22 0.00 0.00 0.00 179.25 179.74 1pkl h LYS 192 N 0.72 0.83 -0.57 0.00 3.64 -1.98 -2.88 116.57 116.32 1pkl h LYS 192 Ca 0.13 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1pkl h LYS 192 Cb 0.57 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1pkl h LYS 192 CO 0.03 1.00 0.13 -0.44 -2.27 0.00 0.00 179.45 177.90 1pkl h ASP 193 N 0.71 0.88 -0.70 4.20 3.32 -1.86 -1.38 116.42 121.59 1pkl h ASP 193 Ca 0.09 -0.24 0.11 0.00 0.02 0.00 0.00 57.03 57.01 1pkl h ASP 193 Cb 0.81 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 1pkl h ASP 193 CO 0.07 0.89 0.31 -0.09 -1.72 0.00 0.00 179.24 178.69 1pkl h ARG 194 N 0.83 0.49 -0.12 3.56 9.65 -1.17 0.23 114.38 127.85 1pkl h ARG 194 Ca 0.18 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1pkl h ARG 194 Cb 0.36 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1pkl h ARG 194 CO 0.00 0.32 -0.17 0.28 2.80 0.00 0.00 179.97 183.21 1pkl h VAL 195 N 0.50 1.37 -0.64 0.20 2.07 -1.31 -2.94 116.25 115.51 1pkl h VAL 195 Ca 0.36 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1pkl h VAL 195 Cb 0.45 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1pkl h VAL 195 CO -0.32 0.40 0.20 0.44 0.02 0.00 0.00 177.57 178.32 1pkl h ASP 196 N -0.10 0.91 -0.19 0.57 3.32 -0.69 -2.55 116.42 117.69 1pkl h ASP 196 Ca 0.01 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1pkl h ASP 196 Cb 0.73 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1pkl h ASP 196 CO 0.04 0.85 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.12 1pkl h LEU 197 N 0.95 0.65 -0.80 1.55 3.38 -0.60 0.26 115.31 120.70 1pkl h LEU 197 Ca 0.21 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1pkl h LEU 197 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1pkl h LEU 197 CO -0.01 0.86 -0.56 -0.61 0.09 0.00 0.00 178.44 178.21 1pkl h GLN 198 N 0.57 0.00 -0.21 1.13 -0.00 -1.35 -1.22 115.11 114.02 1pkl h GLN 198 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 1pkl h GLN 198 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.16 1pkl h GLN 198 CO 0.05 0.56 -0.20 0.35 0.00 0.00 0.00 178.83 179.59 1pkl h PHE 199 N 0.00 0.60 -0.79 3.99 3.57 -1.07 -1.75 116.94 121.49 1pkl h PHE 199 Ca -0.01 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.35 1pkl h PHE 199 Cb 1.05 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1pkl h PHE 199 CO 0.00 0.85 0.50 0.78 -2.23 0.00 0.00 178.31 178.20 1pkl h GLY 200 N 0.18 1.15 0.96 2.40 0.00 -0.70 -0.45 103.07 106.61 1pkl h GLY 200 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1pkl h GLY 200 CO 0.05 0.30 0.16 -2.08 0.00 0.00 0.00 176.54 174.97 1pkl h VAL 201 N 0.95 1.22 -0.45 4.60 2.07 -1.11 -1.35 116.25 122.18 1pkl h VAL 201 Ca 0.32 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1pkl h VAL 201 Cb 0.05 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1pkl h VAL 201 CO -0.13 0.25 0.12 -0.33 0.02 0.00 0.00 177.57 177.51 1pkl h GLU 202 N 0.59 0.67 -0.01 1.57 5.08 -0.70 -2.28 114.58 119.50 1pkl h GLU 202 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pkl h GLU 202 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pkl h GLU 202 CO -0.01 0.61 -0.12 1.04 -1.00 0.00 0.00 179.01 179.53 1pkl n GLN 203 N -4.31 1.00 -3.07 2.33 1.13 -0.23 -4.97 117.38 109.24 1pkl n GLN 203 Ca 0.03 -0.47 -0.13 0.00 -1.94 0.00 0.00 57.00 54.49 1pkl n GLN 203 Cb 0.20 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.11 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 1.25 -0.00 3.75 1.08 0.00 -0.57 -5.01 105.19 105.69 1pkl n GLY 204 Ca 0.16 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.21 2.99 -0.00 1.61 -7.23 -0.83 -4.98 120.40 108.75 1pkl s VAL 205 Ca 0.24 0.40 0.08 0.00 -1.81 0.00 0.00 61.98 60.89 1pkl s VAL 205 Cb -0.10 -2.85 -0.23 0.00 0.56 0.00 0.00 36.38 33.75 1pkl s VAL 205 CO 0.45 -0.35 0.81 0.44 -0.31 0.00 0.00 175.10 176.15 1pkl h ASP 206 N -0.65 0.07 -5.06 4.85 3.32 -1.53 -3.46 116.42 113.97 1pkl h ASP 206 Ca -0.45 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 1pkl h ASP 206 Cb 1.25 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 1pkl h ASP 206 CO 0.51 1.10 -0.01 0.00 -1.72 0.00 0.00 179.24 179.12 1pkl s MET 207 N -2.62 1.11 -0.09 3.56 0.23 -1.13 -2.00 119.30 118.35 1pkl s MET 207 Ca -0.05 -0.63 0.02 0.00 -1.03 0.00 0.00 55.69 54.00 1pkl s MET 207 Cb 0.08 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.86 1pkl s MET 207 CO 0.82 -0.44 -0.16 0.42 -2.03 0.00 0.00 175.02 173.63 1pkl s ILE 208 N -3.72 2.88 -0.77 3.16 -1.09 0.81 -1.80 121.20 120.67 1pkl s ILE 208 Ca 0.02 -0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.58 1pkl s ILE 208 Cb 0.01 -2.16 0.20 0.00 -1.58 0.00 0.00 42.46 38.94 1pkl s ILE 208 CO -0.12 0.56 0.68 -0.36 -1.23 0.00 0.00 174.94 174.47 1pkl s PHE 209 N -0.15 3.66 -0.25 3.97 0.08 -0.44 -0.11 117.98 124.74 1pkl s PHE 209 Ca -0.01 -2.19 -0.29 0.00 0.12 0.00 0.00 56.93 54.56 1pkl s PHE 209 Cb -0.14 -3.65 -0.02 0.00 -0.57 0.00 0.00 43.02 38.64 1pkl s PHE 209 CO 0.03 -0.95 1.59 0.00 -0.10 0.00 0.00 175.22 175.79 1pkl s ALA 210 N 0.10 3.22 0.34 5.36 0.00 -0.00 -1.67 121.76 129.11 1pkl s ALA 210 Ca 0.18 0.37 -0.27 0.00 0.00 0.00 0.00 51.96 52.23 1pkl s ALA 210 Cb -0.13 -3.87 -0.09 0.00 0.00 0.00 0.00 23.12 19.03 1pkl s ALA 210 CO -0.07 -2.03 1.08 -1.12 0.00 0.00 0.00 175.76 173.61 1pkl s SER 211 N 4.25 7.02 -1.43 0.00 0.01 -1.26 -0.81 113.70 121.47 1pkl s SER 211 Ca 0.70 2.17 -0.05 0.00 1.31 0.00 0.00 55.95 60.08 1pkl s SER 211 Cb -0.23 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.43 1pkl s SER 211 CO 0.29 -0.32 0.65 0.49 0.41 0.00 0.00 173.24 174.77 1pkl n PHE 212 N 0.59 -1.86 -2.37 2.43 3.72 -1.24 -4.72 117.46 114.01 1pkl n PHE 212 Ca 0.02 0.81 -0.43 0.00 -0.05 0.00 0.00 57.45 57.80 1pkl n PHE 212 Cb 0.47 -3.90 -0.02 0.00 -0.94 0.00 0.00 39.48 35.09 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 -3.68 4.17 -0.35 4.37 -1.09 -1.07 -4.87 121.20 118.69 1pkl s ILE 213 Ca 0.21 1.44 0.05 0.00 -2.23 0.00 0.00 60.65 60.12 1pkl s ILE 213 Cb -0.11 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 1pkl s ILE 213 CO 0.86 -0.10 0.34 0.54 -1.23 0.00 0.00 174.94 175.34 1pkl n ARG 214 N 6.41 3.82 -3.56 2.79 1.74 -1.26 -4.15 116.66 122.44 1pkl n ARG 214 Ca 0.14 -0.23 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 1pkl n ARG 214 Cb 0.45 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 31.02 1pkl n ARG 214 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pkl s SER 215 N -1.17 -0.35 0.05 0.55 0.15 -1.26 -4.21 113.70 107.46 1pkl s SER 215 Ca 0.03 -0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 1pkl s SER 215 Cb 0.04 0.52 -0.17 0.00 -1.71 0.00 0.00 66.02 64.70 1pkl s SER 215 CO 0.16 -0.90 1.55 0.00 1.20 0.00 0.00 173.24 175.24 1pkl h ALA 216 N 2.23 -0.18 -0.83 5.45 0.00 -1.87 -2.89 119.26 121.16 1pkl h ALA 216 Ca -0.34 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 54.71 1pkl h ALA 216 Cb 1.28 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1pkl h ALA 216 CO 0.43 -0.52 0.61 0.93 0.00 0.00 0.00 179.25 180.70 1pkl h GLU 217 N -0.34 0.00 -0.47 0.00 5.08 -1.97 0.82 114.58 117.70 1pkl h GLU 217 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1pkl h GLU 217 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1pkl h GLU 217 CO 0.03 0.00 0.12 1.96 -1.00 0.00 0.00 179.01 180.12 1pkl h GLN 218 N 0.00 0.70 -0.75 2.33 4.20 -1.93 -1.57 115.11 118.10 1pkl h GLN 218 Ca 0.40 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1pkl h GLN 218 Cb 1.62 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.25 1pkl h GLN 218 CO -0.00 0.64 0.27 0.28 -0.67 0.00 0.00 178.83 179.34 1pkl h VAL 219 N 0.69 1.26 -0.50 -0.54 2.07 -0.90 -2.26 116.25 116.06 1pkl h VAL 219 Ca 0.16 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1pkl h VAL 219 Cb 0.25 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1pkl h VAL 219 CO -0.00 0.34 0.32 1.23 0.02 0.00 0.00 177.57 179.48 1pkl h GLY 220 N 1.10 0.71 1.61 2.17 0.00 -1.28 -1.13 103.07 106.25 1pkl h GLY 220 Ca 0.25 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 1pkl h GLY 220 CO -0.01 0.27 -0.27 -0.55 0.00 0.00 0.00 176.54 175.97 1pkl h ASP 221 N 0.68 0.45 0.14 0.19 3.32 -0.84 -1.47 116.42 118.89 1pkl h ASP 221 Ca 0.18 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1pkl h ASP 221 Cb -0.06 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1pkl h ASP 221 CO -0.04 0.71 -0.47 0.58 -1.72 0.00 0.00 179.24 178.30 1pkl h VAL 222 N 0.40 1.33 -0.41 -1.35 2.07 -0.85 -1.45 116.25 115.98 1pkl h VAL 222 Ca 0.06 -1.68 -0.16 0.00 0.82 0.00 0.00 66.70 65.74 1pkl h VAL 222 Cb 0.68 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1pkl h VAL 222 CO 0.05 0.51 -0.35 0.03 0.02 0.00 0.00 177.57 177.83 1pkl h ARG 223 N 0.32 0.96 -0.09 1.57 3.08 -0.93 -2.04 114.38 117.24 1pkl h ARG 223 Ca 0.02 -0.49 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 1pkl h ARG 223 Cb 0.95 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1pkl h ARG 223 CO 0.08 1.15 -0.25 0.87 -1.07 0.00 0.00 179.97 180.75 1pkl h LYS 224 N 0.79 0.16 -0.00 0.04 1.57 -1.14 -1.76 116.57 116.23 1pkl h LYS 224 Ca 0.07 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1pkl h LYS 224 Cb 0.95 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1pkl h LYS 224 CO 0.09 0.41 -0.69 0.00 -0.57 0.00 0.00 179.45 178.69 1pkl h ALA 225 N 1.60 0.86 0.00 3.86 0.00 -0.95 -2.89 119.26 121.74 1pkl h ALA 225 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 1pkl h ALA 225 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1pkl h ALA 225 CO 0.04 0.85 -0.62 -0.07 0.00 0.00 0.00 179.25 179.45 1pkl h LEU 226 N 0.01 0.00 0.00 0.00 3.38 -1.07 -3.41 115.31 114.23 1pkl h LEU 226 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1pkl h LEU 226 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1pkl h LEU 226 CO 0.09 0.62 -0.10 0.61 0.09 0.00 0.00 178.44 179.75 1pkl n GLY 227 N 1.14 -1.78 0.19 0.83 0.00 -0.69 -3.37 105.19 101.50 1pkl n GLY 227 Ca 0.01 -1.28 0.02 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 0.04 0.00 1.61 0.13 -1.89 -2.82 132.00 129.06 1pkl h PRO 228 Ca 0.01 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1pkl h PRO 228 Cb 0.24 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1pkl h PRO 228 CO 0.00 0.41 0.00 1.63 -0.23 0.00 0.00 178.00 179.81 1pkl n LYS 229 N -4.09 0.06 -0.56 0.86 5.02 -1.26 -3.18 118.16 115.01 1pkl n LYS 229 Ca -0.02 0.10 0.06 0.00 -2.02 0.00 0.00 58.31 56.43 1pkl n LYS 229 Cb 0.41 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.86 4.90 0.21 0.72 0.00 -1.07 -4.75 105.19 106.06 1pkl n GLY 230 Ca 0.07 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 0.84 0.00 -0.02 1.61 0.11 -1.56 -2.92 114.38 112.43 1pkl h ARG 231 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 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 0.00 0.00 -0.08 -0.25 0.10 0.00 0.00 179.97 179.74 1pkl n ASP 232 N -2.69 2.29 -4.75 0.08 8.00 -1.26 -4.91 116.55 113.31 1pkl n ASP 232 Ca 0.01 -1.71 -0.40 0.00 0.71 0.00 0.00 54.79 53.40 1pkl n ASP 232 Cb 0.24 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.10 4.45 0.26 0.53 1.01 -1.11 -5.00 121.20 119.24 1pkl s ILE 233 Ca 0.29 1.84 -0.24 0.00 0.00 0.00 0.00 60.65 62.55 1pkl s ILE 233 Cb 0.20 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1pkl s ILE 233 CO 0.36 0.42 0.84 -0.04 0.00 0.00 0.00 174.94 176.52 1pkl s MET 234 N -0.56 4.46 -0.35 2.79 -1.94 -0.85 -4.93 119.30 117.92 1pkl s MET 234 Ca 0.40 1.13 -0.03 0.00 -1.71 0.00 0.00 55.69 55.48 1pkl s MET 234 Cb -0.23 -2.91 0.07 0.00 2.01 0.00 0.00 34.83 33.77 1pkl s MET 234 CO 0.27 0.37 0.10 0.42 -0.01 0.00 0.00 175.02 176.18 1pkl s ILE 235 N -1.50 3.26 -0.34 2.53 1.01 -1.26 -0.14 121.20 124.76 1pkl s ILE 235 Ca 0.45 -1.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.33 1pkl s ILE 235 Cb -0.19 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 1pkl s ILE 235 CO 0.23 -0.36 0.37 -0.63 0.00 0.00 0.00 174.94 174.55 1pkl s ILE 236 N 1.23 5.16 -0.18 2.92 -1.09 0.84 -1.05 121.20 129.03 1pkl s ILE 236 Ca 0.01 0.05 -0.26 0.00 -2.23 0.00 0.00 60.65 58.23 1pkl s ILE 236 Cb -0.21 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1pkl s ILE 236 CO -0.02 -0.11 0.86 0.00 -1.23 0.00 0.00 174.94 174.44 1pkl s LYS 238 N 2.30 3.98 -0.49 0.00 1.02 0.01 -0.90 119.74 125.66 1pkl s LYS 238 Ca 0.39 0.73 -0.21 0.00 0.02 0.00 0.00 55.97 56.90 1pkl s LYS 238 Cb -0.16 -3.74 0.04 0.00 -0.52 0.00 0.00 37.83 33.45 1pkl s LYS 238 CO 0.12 -0.77 0.69 0.42 -0.92 0.00 0.00 175.35 174.89 1pkl s ILE 239 N 3.20 4.77 -0.15 2.17 -1.09 -0.62 -2.60 121.20 126.87 1pkl s ILE 239 Ca 0.37 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 1pkl s ILE 239 Cb -0.13 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.47 1pkl s ILE 239 CO 0.14 -0.77 0.77 -0.62 -1.23 0.00 0.00 174.94 173.22 1pkl n GLU 240 N 6.43 0.93 -3.95 2.79 1.02 -1.26 -3.01 120.64 123.59 1pkl n GLU 240 Ca -0.03 -1.04 -0.11 0.00 -0.02 0.00 0.00 57.16 55.97 1pkl n GLU 240 Cb 0.47 -1.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.52 0.28 0.46 1.62 2.20 -1.26 -3.32 114.94 114.40 1pkl s ASN 241 Ca 0.02 -1.17 0.13 0.00 -0.94 0.00 0.00 52.86 50.90 1pkl s ASN 241 Cb 0.01 0.72 1.06 0.00 -2.00 0.00 0.00 41.25 41.04 1pkl s ASN 241 CO 0.02 -1.40 2.07 1.12 -2.94 0.00 0.00 177.10 175.96 1pkl h HIS 242 N 2.09 0.15 -0.30 1.54 2.07 -1.92 -2.68 115.15 116.10 1pkl h HIS 242 Ca -0.28 -0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.15 1pkl h HIS 242 Cb 1.25 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 1pkl h HIS 242 CO 1.11 0.16 -0.14 1.96 -3.07 0.00 0.00 177.93 177.95 1pkl h GLN 243 N 0.15 0.61 -0.66 5.12 4.20 -1.94 0.94 115.11 123.54 1pkl h GLN 243 Ca 0.04 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1pkl h GLN 243 Cb 0.10 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1pkl h GLN 243 CO 0.00 0.84 0.37 0.78 -0.67 0.00 0.00 178.83 180.16 1pkl h GLY 244 N 0.37 0.96 1.10 3.46 0.00 -1.65 0.15 103.07 107.45 1pkl h GLY 244 Ca 0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1pkl h GLY 244 CO 0.04 0.39 -0.48 -2.08 0.00 0.00 0.00 176.54 174.41 1pkl h VAL 245 N 0.91 1.28 -0.47 4.60 2.07 -1.28 -1.87 116.25 121.49 1pkl h VAL 245 Ca 0.23 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 1pkl h VAL 245 Cb 0.00 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1pkl h VAL 245 CO -0.04 0.54 0.08 -0.61 0.02 0.00 0.00 177.57 177.56 1pkl h GLN 246 N 0.61 0.78 -0.64 1.57 5.75 -0.21 -3.00 115.11 119.97 1pkl h GLN 246 Ca 0.02 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1pkl h GLN 246 Cb 1.09 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1pkl h GLN 246 CO 0.11 0.79 0.00 0.09 -2.65 0.00 0.00 178.83 177.17 1pkl n ASN 247 N -4.44 4.96 -0.31 -0.69 3.02 0.46 -4.66 115.26 113.60 1pkl n ASN 247 Ca 0.01 -2.75 0.10 0.00 -0.03 0.00 0.00 54.58 51.91 1pkl n ASN 247 Cb 0.25 -0.65 0.27 0.00 -0.61 0.00 0.00 39.78 39.04 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 3.42 0.63 -0.07 2.41 6.09 -1.19 -1.96 117.51 126.84 1pkl h ILE 248 Ca 0.00 -0.19 0.03 0.00 -1.37 0.00 0.00 64.86 63.33 1pkl h ILE 248 Cb 1.72 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 39.01 1pkl h ILE 248 CO 0.40 0.10 -0.09 0.44 -3.07 0.00 0.00 178.15 175.93 1pkl h ASP 249 N 0.55 -0.27 0.42 2.19 3.32 -1.86 0.13 116.42 120.91 1pkl h ASP 249 Ca 0.51 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.49 1pkl h ASP 249 Cb 0.84 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1pkl h ASP 249 CO -0.43 -0.12 -0.54 0.77 -1.72 0.00 0.00 179.24 177.20 1pkl h SER 250 N -0.12 0.14 -0.29 6.45 4.64 -1.86 -2.30 113.55 120.22 1pkl h SER 250 Ca 0.06 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1pkl h SER 250 Cb 0.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1pkl h SER 250 CO -0.14 0.65 -0.13 0.40 -0.87 0.00 0.00 176.83 176.75 1pkl h ILE 251 N 0.10 1.29 -0.86 0.95 2.04 -0.90 -2.57 117.51 117.57 1pkl h ILE 251 Ca -0.00 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1pkl h ILE 251 Cb 0.99 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1pkl h ILE 251 CO 0.08 0.39 0.49 0.40 0.00 0.00 0.00 178.15 179.51 1pkl h ILE 252 N 0.36 1.24 -0.69 -0.67 2.04 -0.94 -0.06 117.51 118.79 1pkl h ILE 252 Ca 0.07 -0.57 0.11 0.00 1.00 0.00 0.00 64.86 65.47 1pkl h ILE 252 Cb 0.64 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 1pkl h ILE 252 CO 0.04 0.27 0.27 -0.08 0.00 0.00 0.00 178.15 178.65 1pkl h GLU 253 N 1.19 0.44 0.00 2.37 4.57 -1.21 -2.98 114.58 118.95 1pkl h GLU 253 Ca 0.30 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.28 1pkl h GLU 253 Cb -0.01 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1pkl h GLU 253 CO -0.05 0.29 -1.58 -1.91 -1.18 0.00 0.00 179.01 174.57 1pkl n GLU 254 N -4.98 0.63 -1.85 1.92 2.13 -0.99 -4.96 120.64 112.54 1pkl n GLU 254 Ca 0.11 0.16 -0.30 0.00 0.66 0.00 0.00 57.16 57.80 1pkl n GLU 254 Cb 0.33 -1.75 0.16 0.00 0.27 0.00 0.00 31.44 30.46 1pkl n GLU 254 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1pkl s SER 255 N -5.65 3.33 0.00 4.31 1.04 -0.06 -4.99 113.70 111.67 1pkl s SER 255 Ca -0.04 0.45 0.17 0.00 0.48 0.00 0.00 55.95 57.01 1pkl s SER 255 Cb 0.09 -0.63 0.26 0.00 0.10 0.00 0.00 66.02 65.83 1pkl s SER 255 CO 0.82 -2.62 1.17 0.47 0.98 0.00 0.00 173.24 174.07 1pkl n ASP 256 N -3.72 2.80 0.00 7.02 8.00 -0.21 -4.93 116.55 125.51 1pkl n ASP 256 Ca 0.13 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1pkl n ASP 256 Cb 0.60 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 1.02 0.42 3.12 0.44 0.00 -1.22 -4.13 105.19 104.84 1pkl n GLY 257 Ca 0.13 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 0.74 -0.11 -0.61 -1.09 -0.67 -1.44 121.20 116.02 1pkl s ILE 258 Ca 0.00 -1.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.05 1pkl s ILE 258 Cb 0.00 -1.03 0.02 0.00 -1.58 0.00 0.00 42.46 39.87 1pkl s ILE 258 CO 0.00 -0.48 -0.12 -0.32 -1.23 0.00 0.00 174.94 172.79 1pkl s MET 259 N -2.25 1.93 -0.62 2.79 -2.45 -0.08 -1.29 119.30 117.33 1pkl s MET 259 Ca -0.02 -0.44 -0.21 0.00 -1.25 0.00 0.00 55.69 53.77 1pkl s MET 259 Cb -0.06 -1.74 0.08 0.00 1.25 0.00 0.00 34.83 34.36 1pkl s MET 259 CO -0.00 -0.14 0.85 0.08 1.05 0.00 0.00 175.02 176.86 1pkl s VAL 260 N 1.22 4.53 -1.06 10.11 1.01 0.31 -1.59 120.40 134.93 1pkl s VAL 260 Ca -0.03 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1pkl s VAL 260 Cb -0.14 -4.58 0.12 0.00 0.00 0.00 0.00 36.38 31.77 1pkl s VAL 260 CO -0.04 -1.28 1.34 0.00 0.00 0.00 0.00 175.10 175.13 1pkl s ALA 261 N 3.50 3.38 0.18 5.51 0.00 -1.16 -1.38 121.76 131.79 1pkl s ALA 261 Ca 0.19 -2.83 -0.13 0.00 0.00 0.00 0.00 51.96 49.19 1pkl s ALA 261 Cb -0.19 -4.24 0.16 0.00 0.00 0.00 0.00 23.12 18.85 1pkl s ALA 261 CO 0.10 -3.10 1.75 0.00 0.00 0.00 0.00 175.76 174.50 1pkl h ARG 262 N 8.46 0.33 -0.61 0.00 -0.00 -1.86 -1.30 114.38 119.40 1pkl h ARG 262 Ca 0.24 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.98 59.65 1pkl h ARG 262 Cb 0.96 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.83 1pkl h ARG 262 CO 1.25 0.22 0.19 0.78 0.00 0.00 0.00 179.97 182.41 1pkl h GLY 263 N 0.34 0.99 1.34 0.04 0.00 -1.90 0.60 103.07 104.48 1pkl h GLY 263 Ca 0.23 -0.56 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 1pkl h GLY 263 CO -0.24 0.52 -0.81 -0.55 0.00 0.00 0.00 176.54 175.47 1pkl h ASP 264 N 0.89 0.77 0.11 0.19 3.32 -1.82 -2.97 116.42 116.92 1pkl h ASP 264 Ca 0.20 -0.53 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 1pkl h ASP 264 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1pkl h ASP 264 CO -0.01 1.31 -0.30 -0.07 -1.72 0.00 0.00 179.24 178.45 1pkl h LEU 265 N 0.42 0.29 -0.64 1.55 3.38 -1.09 -2.88 115.31 116.35 1pkl h LEU 265 Ca -0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pkl h LEU 265 Cb 1.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1pkl h LEU 265 CO 0.16 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1pkl n GLY 266 N -0.42 -1.24 0.32 0.83 0.00 0.19 -1.14 105.19 103.73 1pkl n GLY 266 Ca -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 1.26 -0.00 1.61 2.07 -1.44 -3.32 116.25 116.43 1pkl h VAL 267 Ca 0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1pkl h VAL 267 Cb 0.35 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1pkl h VAL 267 CO 0.00 0.37 -0.28 -1.84 0.02 0.00 0.00 177.57 175.84 1pkl n GLU 268 N -4.26 4.86 -5.22 1.57 0.28 -1.15 -4.90 120.64 111.82 1pkl n GLU 268 Ca 0.05 -0.02 -0.31 0.00 -0.16 0.00 0.00 57.16 56.72 1pkl n GLU 268 Cb 0.25 -0.80 -0.17 0.00 1.43 0.00 0.00 31.44 32.16 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 -1.55 2.00 0.12 3.84 1.01 -0.29 -4.94 121.20 121.38 1pkl s ILE 269 Ca 0.02 -1.03 -0.35 0.00 0.00 0.00 0.00 60.65 59.30 1pkl s ILE 269 Cb 0.05 -1.70 -0.15 0.00 0.01 0.00 0.00 42.46 40.67 1pkl s ILE 269 CO 0.25 0.55 1.48 -2.65 0.00 0.00 0.00 174.94 174.57 1pkl n PRO 270 N 3.06 1.70 -0.33 2.79 -0.02 -1.26 -4.27 135.00 136.66 1pkl n PRO 270 Ca -0.18 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1pkl n PRO 270 Cb 0.52 -2.33 0.23 0.00 -0.02 0.00 0.00 33.50 31.91 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 5.37 0.98 0.00 3.55 0.00 -1.96 0.32 119.26 127.53 1pkl h ALA 271 Ca -0.46 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pkl h ALA 271 Cb 1.29 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1pkl h ALA 271 CO 0.84 -0.50 -0.08 1.05 0.00 0.00 0.00 179.25 180.56 1pkl h GLU 272 N 0.02 0.00 0.00 0.00 9.09 -2.01 -1.75 114.58 119.94 1pkl h GLU 272 Ca 0.54 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.84 1pkl h GLU 272 Cb 1.02 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 1pkl h GLU 272 CO -0.90 0.08 -0.60 0.87 0.05 0.00 0.00 179.01 178.50 1pkl h LYS 273 N 0.00 0.00 -0.16 1.06 1.57 -0.72 -3.15 116.57 115.18 1pkl h LYS 273 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1pkl h LYS 273 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1pkl h LYS 273 CO 0.01 0.48 -0.42 0.28 -0.57 0.00 0.00 179.45 179.23 1pkl h VAL 274 N 0.00 1.31 -0.20 0.50 2.07 -0.77 0.20 116.25 119.36 1pkl h VAL 274 Ca -0.02 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1pkl h VAL 274 Cb 1.41 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1pkl h VAL 274 CO 0.06 0.48 0.10 0.58 0.02 0.00 0.00 177.57 178.81 1pkl h VAL 275 N 0.30 1.14 -0.18 2.57 2.07 -1.41 0.00 116.25 120.75 1pkl h VAL 275 Ca 0.02 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 1pkl h VAL 275 Cb 0.88 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1pkl h VAL 275 CO 0.07 0.14 -0.36 0.58 0.02 0.00 0.00 177.57 178.02 1pkl h VAL 276 N 0.20 1.29 -0.72 2.57 2.07 -1.47 -2.59 116.25 117.60 1pkl h VAL 276 Ca 0.07 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 1pkl h VAL 276 Cb 0.13 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1pkl h VAL 276 CO -0.01 0.45 0.20 0.00 0.02 0.00 0.00 177.57 178.23 1pkl h ALA 277 N 1.29 0.99 -0.91 1.67 0.00 -0.64 -2.04 119.26 119.63 1pkl h ALA 277 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1pkl h ALA 277 Cb 0.79 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1pkl h ALA 277 CO 0.06 0.66 0.59 0.37 0.00 0.00 0.00 179.25 180.94 1pkl h GLN 278 N 1.08 1.15 -0.37 0.00 4.15 -0.62 0.03 115.11 120.53 1pkl h GLN 278 Ca 0.23 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1pkl h GLN 278 Cb 0.34 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1pkl h GLN 278 CO -0.00 0.76 0.09 0.87 -1.93 0.00 0.00 178.83 178.62 1pkl h LYS 279 N 1.19 0.59 0.23 1.69 1.57 -1.18 -1.93 116.57 118.73 1pkl h LYS 279 Ca 0.34 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1pkl h LYS 279 Cb -0.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1pkl h LYS 279 CO -0.09 0.63 -0.11 0.82 -0.57 0.00 0.00 179.45 180.13 1pkl h ILE 280 N 0.45 0.83 -0.68 1.86 2.04 -0.97 -1.76 117.51 119.29 1pkl h ILE 280 Ca 0.12 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1pkl h ILE 280 Cb 0.31 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1pkl h ILE 280 CO 0.00 0.08 0.37 -0.07 0.00 0.00 0.00 178.15 178.53 1pkl h LEU 281 N -0.48 0.84 -0.15 1.44 3.38 -1.01 -1.12 115.31 118.21 1pkl h LEU 281 Ca -0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1pkl h LEU 281 Cb 0.36 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pkl h LEU 281 CO 0.05 0.68 -0.10 0.40 0.09 0.00 0.00 178.44 179.56 1pkl h ILE 282 N 0.95 1.33 -0.69 1.22 2.04 -1.32 -2.11 117.51 118.92 1pkl h ILE 282 Ca 0.24 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1pkl h ILE 282 Cb 0.03 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1pkl h ILE 282 CO -0.04 0.35 0.32 0.28 0.00 0.00 0.00 178.15 179.06 1pkl h SER 283 N -0.02 0.89 -0.63 1.72 0.02 -1.11 -0.22 113.55 114.20 1pkl h SER 283 Ca 0.03 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1pkl h SER 283 Cb 0.59 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1pkl h SER 283 CO 0.03 0.77 0.11 0.11 -1.14 0.00 0.00 176.83 176.70 1pkl h LYS 284 N 0.98 1.06 -0.22 3.45 1.57 -1.14 -1.49 116.57 120.78 1pkl h LYS 284 Ca 0.24 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1pkl h LYS 284 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1pkl h LYS 284 CO -0.03 0.97 -0.53 0.00 -0.57 0.00 0.00 179.45 179.30 1pkl h ASN 286 N 0.49 -0.07 -0.42 0.00 -0.26 -0.67 0.03 115.58 114.68 1pkl h ASN 286 Ca 0.02 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 1pkl h ASN 286 Cb 1.08 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.36 1pkl h ASN 286 CO 0.10 -0.03 0.13 0.58 -1.06 0.00 0.00 177.43 177.15 1pkl h VAL 287 N -0.02 1.20 0.00 2.81 2.07 -1.24 -2.48 116.25 118.59 1pkl h VAL 287 Ca 0.03 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1pkl h VAL 287 Cb 0.06 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1pkl h VAL 287 CO -0.06 0.27 -0.26 0.00 0.02 0.00 0.00 177.57 177.54 1pkl h ALA 288 N 1.44 0.99 0.00 1.67 0.00 -0.83 -3.47 119.26 119.06 1pkl h ALA 288 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 288 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pkl h ALA 288 CO -0.01 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1pkl n GLY 289 N 0.27 0.62 3.23 0.00 0.00 -0.05 -5.07 105.19 104.19 1pkl n GLY 289 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.01 1.91 0.40 1.61 1.02 -0.98 -4.76 119.74 115.93 1pkl s LYS 290 Ca 0.00 -0.79 -0.26 0.00 0.02 0.00 0.00 55.97 54.95 1pkl s LYS 290 Cb 0.00 -1.78 -0.11 0.00 -0.52 0.00 0.00 37.83 35.43 1pkl s LYS 290 CO 0.00 0.43 1.19 -0.35 -0.92 0.00 0.00 175.35 175.70 1pkl n PRO 291 N 2.67 1.76 -4.35 -1.68 -0.04 -1.26 -4.47 135.00 127.64 1pkl n PRO 291 Ca -0.16 0.63 -0.20 0.00 -0.04 0.00 0.00 63.50 63.72 1pkl n PRO 291 Cb 0.52 -2.25 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 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 -1.19 0.74 -0.15 0.52 0.11 -1.26 -1.68 120.40 117.48 1pkl s VAL 292 Ca 0.61 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1pkl s VAL 292 Cb -0.54 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1pkl s VAL 292 CO 0.58 0.24 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.87 1pkl s ILE 293 N 0.32 3.30 -0.30 7.04 1.01 -0.41 -1.28 121.20 130.88 1pkl s ILE 293 Ca -0.05 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 1pkl s ILE 293 Cb -0.10 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1pkl s ILE 293 CO 0.01 0.50 0.81 0.00 0.00 0.00 0.00 174.94 176.26 1pkl n ALA 295 N 6.21 1.66 -2.62 0.00 0.00 -0.48 -1.65 120.51 123.64 1pkl n ALA 295 Ca 0.05 -0.73 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 1pkl n ALA 295 Cb 0.48 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1pkl n ALA 295 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pkl s THR 296 N -2.32 3.41 -1.26 0.00 -4.23 -1.25 -4.56 115.64 105.43 1pkl s THR 296 Ca -0.18 -1.76 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 1pkl s THR 296 Cb 0.05 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.92 1pkl s THR 296 CO 0.41 -0.29 0.62 0.00 -0.54 0.00 0.00 174.62 174.82 1pkl n GLN 297 N -1.04 -2.10 -3.93 3.99 6.02 -1.26 -4.72 117.38 114.34 1pkl n GLN 297 Ca -0.05 0.41 -0.35 0.00 -0.01 0.00 0.00 57.00 56.99 1pkl n GLN 297 Cb 0.60 -4.19 -0.11 0.00 1.02 0.00 0.00 30.24 27.56 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 -6.34 3.82 -1.45 -1.09 -1.94 -1.26 -4.41 119.30 106.63 1pkl s MET 298 Ca 0.26 -0.41 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 1pkl s MET 298 Cb -0.10 -3.26 0.08 0.00 2.01 0.00 0.00 34.83 33.56 1pkl s MET 298 CO 0.88 0.06 0.70 1.28 -0.01 0.00 0.00 175.02 177.94 1pkl n LEU 299 N 4.17 -2.02 -0.22 -0.03 4.77 -1.26 -4.84 117.00 117.58 1pkl n LEU 299 Ca -0.16 -0.58 0.02 0.00 -0.03 0.00 0.00 56.01 55.26 1pkl n LEU 299 Cb 0.52 -2.35 0.13 0.00 -2.33 0.00 0.00 43.42 39.39 1pkl n LEU 299 CO 0.33 0.28 0.91 -0.08 -1.33 0.00 0.00 177.39 177.51 1pkl h GLU 300 N -1.45 0.23 0.00 3.23 4.81 -1.96 -1.46 114.58 117.98 1pkl h GLU 300 Ca -0.51 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1pkl h GLU 300 Cb 1.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1pkl h GLU 300 CO 0.61 0.15 -0.02 0.66 -0.73 0.00 0.00 179.01 179.69 1pkl h SER 301 N 0.24 0.00 0.00 1.04 4.64 -1.93 -2.21 113.55 115.33 1pkl h SER 301 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1pkl h SER 301 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1pkl h SER 301 CO -0.46 0.02 0.00 0.80 -0.87 0.00 0.00 176.83 176.32 1pkl n MET 302 N -3.55 0.79 0.09 4.77 1.56 -0.55 -1.83 117.12 118.41 1pkl n MET 302 Ca -0.03 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.42 1pkl n MET 302 Cb 0.11 -1.22 -0.02 0.00 2.15 0.00 0.00 33.22 34.24 1pkl n MET 302 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1pkl h THR 303 N 0.00 0.68 0.00 1.12 2.02 -1.57 -3.40 112.91 111.76 1pkl h THR 303 Ca 0.00 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.11 1pkl h THR 303 Cb 0.22 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1pkl h THR 303 CO 0.00 0.39 -0.97 -1.22 0.37 0.00 0.00 175.52 174.09 1pkl n TYR 304 N -3.06 0.00 -3.78 3.16 4.01 -1.07 -1.10 117.16 115.31 1pkl n TYR 304 Ca -0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.37 1pkl n TYR 304 Cb 0.77 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 1pkl n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1pkl s ASN 305 N -3.39 6.47 0.22 7.72 0.02 -0.76 -4.92 114.94 120.30 1pkl s ASN 305 Ca 0.00 0.52 0.23 0.00 -1.02 0.00 0.00 52.86 52.59 1pkl s ASN 305 Cb 0.00 -2.07 0.93 0.00 0.02 0.00 0.00 41.25 40.12 1pkl s ASN 305 CO 0.00 0.24 1.69 -0.81 0.02 0.00 0.00 177.10 178.24 1pkl n PRO 306 N 1.03 0.17 -4.34 -0.60 -0.04 -1.26 -4.27 135.00 125.69 1pkl n PRO 306 Ca -0.11 0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 63.55 1pkl n PRO 306 Cb 0.53 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 1pkl n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1pkl s ARG 307 N -3.26 0.74 0.82 0.54 0.52 -1.26 -4.99 118.95 112.05 1pkl s ARG 307 Ca 0.05 -0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 1pkl s ARG 307 Cb 0.10 -0.70 0.13 0.00 0.52 0.00 0.00 34.95 34.99 1pkl s ARG 307 CO 0.39 0.19 1.15 -1.25 0.02 0.00 0.00 175.30 175.80 1pkl s PRO 308 N -0.42 1.51 0.63 3.54 0.04 -1.26 -4.56 135.00 134.47 1pkl s PRO 308 Ca 0.02 -0.40 -0.04 0.00 0.04 0.00 0.00 61.00 60.62 1pkl s PRO 308 Cb -0.04 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1pkl s PRO 308 CO -0.00 -1.76 0.91 0.95 0.04 0.00 0.00 177.00 177.14 1pkl s THR 309 N -3.52 2.71 0.12 1.26 -4.23 -1.26 -4.96 115.64 105.76 1pkl s THR 309 Ca 0.66 -0.36 -0.21 0.00 -1.18 0.00 0.00 61.69 60.61 1pkl s THR 309 Cb -0.07 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 1pkl s THR 309 CO 0.48 -0.09 1.71 0.03 -0.54 0.00 0.00 174.62 176.21 1pkl h ARG 310 N -0.27 -0.03 -0.69 3.99 2.47 -2.00 -2.56 114.38 115.29 1pkl h ARG 310 Ca -0.44 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.26 1pkl h ARG 310 Cb 1.30 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 1pkl h ARG 310 CO 0.58 -0.02 0.32 0.00 0.56 0.00 0.00 179.97 181.41 1pkl h ALA 311 N 1.09 1.27 -0.37 0.04 0.00 -2.00 -2.52 119.26 116.77 1pkl h ALA 311 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1pkl h ALA 311 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1pkl h ALA 311 CO -0.15 0.56 -0.08 0.93 0.00 0.00 0.00 179.25 180.51 1pkl h GLU 312 N 0.98 0.62 -0.18 0.00 5.08 -1.87 -1.15 114.58 118.06 1pkl h GLU 312 Ca 0.24 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1pkl h GLU 312 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1pkl h GLU 312 CO -0.03 0.70 0.02 0.28 -1.00 0.00 0.00 179.01 178.98 1pkl h VAL 313 N 0.57 1.23 -0.20 3.13 2.07 -1.07 -2.40 116.25 119.59 1pkl h VAL 313 Ca 0.11 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 1pkl h VAL 313 Cb 0.48 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1pkl h VAL 313 CO 0.03 0.23 -0.23 0.77 0.02 0.00 0.00 177.57 178.38 1pkl h SER 314 N 0.08 0.35 -0.57 0.57 4.64 -1.26 -2.05 113.55 115.32 1pkl h SER 314 Ca 0.05 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1pkl h SER 314 Cb 0.33 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1pkl h SER 314 CO 0.00 0.60 0.34 -0.78 -0.87 0.00 0.00 176.83 176.13 1pkl h ASP 315 N 0.32 0.68 -0.49 4.97 3.58 -1.05 0.68 116.42 125.12 1pkl h ASP 315 Ca 0.05 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1pkl h ASP 315 Cb 0.59 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1pkl h ASP 315 CO 0.04 0.54 -0.07 0.58 -2.88 0.00 0.00 179.24 177.45 1pkl h VAL 316 N 0.77 1.27 -0.45 2.25 2.07 -1.13 -2.29 116.25 118.74 1pkl h VAL 316 Ca 0.20 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1pkl h VAL 316 Cb -0.02 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1pkl h VAL 316 CO -0.04 0.41 0.12 0.00 0.02 0.00 0.00 177.57 178.09 1pkl h ALA 317 N 0.90 0.59 0.00 1.67 0.00 -1.02 -2.91 119.26 118.50 1pkl h ALA 317 Ca 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1pkl h ALA 317 Cb 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pkl h ALA 317 CO 0.04 0.26 -0.09 -0.91 0.00 0.00 0.00 179.25 178.55 1pkl h ASN 318 N 0.59 0.00 -0.45 0.00 2.35 -0.77 -0.88 115.58 116.41 1pkl h ASN 318 Ca 0.14 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1pkl h ASN 318 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1pkl h ASN 318 CO -0.00 0.09 -0.13 0.00 -1.65 0.00 0.00 177.43 175.74 1pkl h ALA 319 N 1.91 0.84 -0.22 -0.83 0.00 -1.21 0.13 119.26 119.88 1pkl h ALA 319 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1pkl h ALA 319 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pkl h ALA 319 CO 0.01 0.65 -0.31 0.28 0.00 0.00 0.00 179.25 179.88 1pkl h VAL 320 N 0.83 1.32 -0.13 0.00 2.07 -1.29 -1.66 116.25 117.39 1pkl h VAL 320 Ca 0.13 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1pkl h VAL 320 Cb 0.66 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1pkl h VAL 320 CO 0.05 0.47 -0.08 -0.26 0.02 0.00 0.00 177.57 177.76 1pkl h PHE 321 N 0.29 0.20 -0.31 1.57 0.04 -0.93 -1.59 116.94 116.21 1pkl h PHE 321 Ca 0.02 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1pkl h PHE 321 Cb 0.90 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1pkl h PHE 321 CO 0.08 0.29 -0.15 -0.91 -0.60 0.00 0.00 178.31 177.02 1pkl h ASN 322 N 0.19 0.55 0.00 2.17 -0.26 -0.59 -3.47 115.58 114.17 1pkl h ASN 322 Ca 0.04 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1pkl h ASN 322 Cb 0.28 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1pkl h ASN 322 CO 0.01 0.72 0.00 0.61 -1.06 0.00 0.00 177.43 177.72 1pkl n GLY 323 N -0.52 1.46 3.76 2.83 0.00 -0.60 -4.61 105.19 107.51 1pkl n GLY 323 Ca 0.01 0.00 -0.40 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 2.07 0.02 4.61 0.00 -0.65 -4.92 120.51 121.64 1pkl n ALA 324 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1pkl n ALA 324 Cb 0.00 -2.39 -0.14 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 2.40 0.37 -3.68 0.00 5.19 -1.50 -3.45 116.42 115.76 1pkl h ASP 325 Ca -0.51 -0.95 -0.44 0.00 -0.62 0.00 0.00 57.03 54.51 1pkl h ASP 325 Cb 1.27 -0.12 -0.17 0.00 0.18 0.00 0.00 39.33 40.49 1pkl h ASP 325 CO 0.61 1.29 -0.75 0.00 -3.12 0.00 0.00 179.24 177.27 1pkl s VAL 327 N -2.49 1.80 0.20 0.00 -7.23 -0.44 -1.19 120.40 111.05 1pkl s VAL 327 Ca 0.15 -1.14 0.11 0.00 -1.81 0.00 0.00 61.98 59.29 1pkl s VAL 327 Cb -0.03 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1pkl s VAL 327 CO 0.05 0.35 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.63 1pkl s MET 328 N -0.94 1.53 -0.08 4.82 1.75 -0.66 -1.78 119.30 123.94 1pkl s MET 328 Ca 0.09 -1.56 0.03 0.00 -1.25 0.00 0.00 55.69 53.00 1pkl s MET 328 Cb -0.09 -1.82 0.01 0.00 2.84 0.00 0.00 34.83 35.77 1pkl s MET 328 CO 0.01 0.39 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.08 1pkl s LEU 329 N -2.79 1.82 0.00 4.11 1.43 -0.25 -4.51 118.68 118.50 1pkl s LEU 329 Ca 0.22 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1pkl s LEU 329 Cb -0.07 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1pkl s LEU 329 CO 0.10 0.08 0.00 -1.20 0.23 0.00 0.00 176.35 175.56 1pkl n SER 330 N 3.73 0.00 0.27 2.29 7.64 -1.26 -1.40 113.62 124.88 1pkl n SER 330 Ca -0.21 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.82 1pkl n SER 330 Cb 0.52 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.42 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 1.72 0.23 0.00 -1.96 -0.96 103.07 102.10 1pkl h GLY 331 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pkl h GLY 331 CO 0.00 0.00 0.16 0.83 0.00 0.00 0.00 176.54 177.53 1pkl h GLU 332 N 0.00 0.37 0.00 4.80 3.07 -1.91 0.19 114.58 121.10 1pkl h GLU 332 Ca -0.00 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.59 1pkl h GLU 332 Cb 0.47 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 1pkl h GLU 332 CO 0.01 0.26 -1.93 0.25 -1.40 0.00 0.00 179.01 176.21 1pkl n THR 333 N -4.48 0.93 -0.03 1.13 -2.24 -1.10 -3.51 114.28 104.98 1pkl n THR 333 Ca 0.01 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 1pkl n THR 333 Cb 0.09 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.65 0.10 0.00 6.98 0.00 -0.71 -3.37 119.26 122.91 1pkl h ALA 334 Ca -0.37 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pkl h ALA 334 Cb 1.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1pkl h ALA 334 CO 0.02 -0.12 -0.03 0.36 0.00 0.00 0.00 179.25 179.48 1pkl n LYS 335 N -4.74 1.33 -1.14 0.00 2.85 -0.76 -2.61 118.16 113.09 1pkl n LYS 335 Ca -0.07 -1.07 -0.30 0.00 -1.05 0.00 0.00 58.31 55.82 1pkl n LYS 335 Cb 0.28 -0.77 0.14 0.00 -0.65 0.00 0.00 35.03 34.04 1pkl n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1pkl s GLY 336 N -0.64 1.63 0.10 2.58 0.00 -0.02 -4.93 107.32 106.04 1pkl s GLY 336 Ca 0.02 0.03 0.23 0.00 0.00 0.00 0.00 44.72 45.00 1pkl s GLY 336 CO 0.00 0.50 1.02 1.17 0.00 0.00 0.00 173.10 175.79 1pkl n LYS 337 N -3.91 0.43 -3.11 2.90 4.81 -0.26 -4.49 118.16 114.54 1pkl n LYS 337 Ca 0.07 0.03 -0.22 0.00 -0.87 0.00 0.00 58.31 57.33 1pkl n LYS 337 Cb 0.55 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.25 1.59 -0.09 5.64 4.01 -1.26 -4.99 117.16 119.80 1pkl n TYR 338 Ca 0.01 -3.88 -0.08 0.00 -0.16 0.00 0.00 57.90 53.79 1pkl n TYR 338 Cb 0.49 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1pkl n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pkl h PRO 339 N 3.09 -0.25 -0.44 -0.72 0.11 -1.79 -2.14 132.00 129.86 1pkl h PRO 339 Ca 0.11 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 1pkl h PRO 339 Cb 0.79 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1pkl h PRO 339 CO 0.62 -0.17 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.20 1pkl h ASN 340 N -0.26 0.88 -0.38 -2.05 2.35 -1.92 -3.10 115.58 111.10 1pkl h ASN 340 Ca 0.16 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 1pkl h ASN 340 Cb 0.52 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1pkl h ASN 340 CO -0.48 1.05 0.11 -0.33 -1.65 0.00 0.00 177.43 176.12 1pkl h GLU 341 N 0.69 0.68 -0.16 0.81 3.07 -1.92 -0.78 114.58 116.96 1pkl h GLU 341 Ca 0.11 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 1pkl h GLU 341 Cb 0.68 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1pkl h GLU 341 CO 0.05 0.62 -0.18 0.28 -1.40 0.00 0.00 179.01 178.37 1pkl h VAL 342 N 0.66 1.34 -0.41 3.13 2.07 -1.41 -1.13 116.25 120.50 1pkl h VAL 342 Ca 0.15 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1pkl h VAL 342 Cb 0.25 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1pkl h VAL 342 CO -0.00 0.41 0.22 0.58 0.02 0.00 0.00 177.57 178.80 1pkl h VAL 343 N 0.06 1.15 -0.53 2.57 2.07 -1.44 0.91 116.25 121.03 1pkl h VAL 343 Ca 0.02 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pkl h VAL 343 Cb 0.73 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1pkl h VAL 343 CO 0.04 0.16 0.32 1.56 0.02 0.00 0.00 177.57 179.68 1pkl h GLN 344 N 0.53 0.73 -0.65 1.57 4.20 -1.13 -0.26 115.11 120.10 1pkl h GLN 344 Ca 0.14 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1pkl h GLN 344 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1pkl h GLN 344 CO -0.02 0.53 0.07 -0.92 -0.67 0.00 0.00 178.83 177.82 1pkl h TYR 345 N 0.72 1.18 -0.48 2.96 5.03 -0.93 -1.59 116.97 123.86 1pkl h TYR 345 Ca 0.19 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1pkl h TYR 345 Cb -0.01 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 1pkl h TYR 345 CO -0.02 1.00 0.20 1.98 -1.32 0.00 0.00 178.16 180.00 1pkl h MET 346 N 1.02 0.71 -0.71 1.82 4.05 -0.30 -1.55 114.93 119.96 1pkl h MET 346 Ca 0.19 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1pkl h MET 346 Cb 0.48 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1pkl h MET 346 CO 0.02 0.64 0.40 0.00 0.23 0.00 0.00 176.91 178.20 1pkl h ALA 347 N 1.04 0.91 -0.98 0.39 0.00 -0.89 -1.54 119.26 118.20 1pkl h ALA 347 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 347 Cb 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1pkl h ALA 347 CO -0.01 0.41 0.65 -0.09 0.00 0.00 0.00 179.25 180.21 1pkl h ARG 348 N 0.98 1.28 -0.32 0.00 2.43 -0.89 -0.01 114.38 117.84 1pkl h ARG 348 Ca 0.25 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 59.18 1pkl h ARG 348 Cb 0.02 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1pkl h ARG 348 CO -0.04 0.85 -0.45 0.82 -1.51 0.00 0.00 179.97 179.64 1pkl h ILE 349 N 1.32 1.28 -0.26 1.20 2.04 -0.96 -2.37 117.51 119.76 1pkl h ILE 349 Ca 0.36 -1.63 -0.10 0.00 1.00 0.00 0.00 64.86 64.49 1pkl h ILE 349 Cb -0.14 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1pkl h ILE 349 CO -0.08 0.53 -0.28 0.00 0.00 0.00 0.00 178.15 178.33 1pkl h LEU 351 N 0.44 0.52 -0.49 0.00 6.46 -0.96 -1.94 115.31 119.34 1pkl h LEU 351 Ca 0.06 -0.39 -0.06 0.00 -0.12 0.00 0.00 57.88 57.37 1pkl h LEU 351 Cb 0.71 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1pkl h LEU 351 CO 0.05 0.79 0.06 -0.08 -0.62 0.00 0.00 178.44 178.64 1pkl h GLU 352 N 0.24 0.83 -0.87 1.25 4.57 -1.27 -2.63 114.58 116.71 1pkl h GLU 352 Ca 0.06 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1pkl h GLU 352 Cb 0.57 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 1pkl h GLU 352 CO 0.03 0.84 0.48 0.00 -1.18 0.00 0.00 179.01 179.18 1pkl h ALA 353 N 0.96 1.11 -0.64 2.92 0.00 -1.03 -2.73 119.26 119.84 1pkl h ALA 353 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pkl h ALA 353 Cb 0.43 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pkl h ALA 353 CO 0.01 0.62 0.36 0.37 0.00 0.00 0.00 179.25 180.61 1pkl h GLN 354 N 1.21 0.89 -0.34 0.00 4.15 -1.15 -2.13 115.11 117.74 1pkl h GLN 354 Ca 0.31 -0.10 0.10 0.00 0.77 0.00 0.00 58.65 59.73 1pkl h GLN 354 Cb 0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1pkl h GLN 354 CO -0.05 0.67 0.25 0.66 -1.93 0.00 0.00 178.83 178.43 1pkl h SER 355 N 0.88 0.00 0.64 -0.69 4.64 -1.15 -1.36 113.55 116.50 1pkl h SER 355 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1pkl h SER 355 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pkl h SER 355 CO -0.04 0.00 -1.05 0.00 -0.87 0.00 0.00 176.83 174.87 1pkl n ALA 356 N -2.58 2.98 -2.19 5.18 0.00 -0.93 -4.93 120.51 118.04 1pkl n ALA 356 Ca 0.05 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1pkl n ALA 356 Cb 0.43 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -4.49 4.35 -0.80 0.00 0.20 -0.52 -4.89 118.68 112.54 1pkl s LEU 357 Ca 0.02 2.23 -0.18 0.00 0.69 0.00 0.00 54.13 56.89 1pkl s LEU 357 Cb 0.13 -3.57 0.14 0.00 -0.43 0.00 0.00 46.19 42.46 1pkl s LEU 357 CO 0.80 -0.69 0.91 0.21 -0.29 0.00 0.00 176.35 177.29 1pkl s ASN 358 N 1.55 6.53 0.26 3.68 2.47 -1.26 -4.88 114.94 123.28 1pkl s ASN 358 Ca 0.65 -2.01 0.23 0.00 0.42 0.00 0.00 52.86 52.15 1pkl s ASN 358 Cb -0.34 -2.32 0.98 0.00 -1.45 0.00 0.00 41.25 38.11 1pkl s ASN 358 CO 0.29 -0.96 1.70 -0.62 -3.72 0.00 0.00 177.10 173.79 1pkl n GLU 359 N 5.86 0.19 -0.08 0.43 1.02 -1.26 -2.59 120.64 124.21 1pkl n GLU 359 Ca 0.11 0.43 -0.06 0.00 -0.02 0.00 0.00 57.16 57.62 1pkl n GLU 359 Cb 0.47 -1.87 0.13 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.81 -0.55 -0.32 3.20 -1.90 -1.95 116.97 116.26 1pkl h TYR 360 Ca 0.00 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 61.76 1pkl h TYR 360 Cb 0.35 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1pkl h TYR 360 CO 0.00 0.84 0.29 0.28 -1.64 0.00 0.00 178.16 177.93 1pkl h VAL 361 N 0.65 0.98 0.10 1.81 2.07 -1.88 0.15 116.25 120.12 1pkl h VAL 361 Ca 0.10 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1pkl h VAL 361 Cb 0.63 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1pkl h VAL 361 CO 0.04 0.10 -0.05 -0.26 0.02 0.00 0.00 177.57 177.43 1pkl h PHE 362 N 0.57 -0.12 -0.31 1.57 -1.00 -1.59 -0.86 116.94 115.19 1pkl h PHE 362 Ca 0.24 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.08 1pkl h PHE 362 Cb 0.13 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.67 1pkl h PHE 362 CO -0.09 -0.00 -0.08 0.35 -1.61 0.00 0.00 178.31 176.88 1pkl h PHE 363 N -0.22 -0.17 -0.37 -0.55 3.57 -0.82 -2.23 116.94 116.13 1pkl h PHE 363 Ca -0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1pkl h PHE 363 Cb 0.18 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1pkl h PHE 363 CO -0.04 -0.14 0.11 -0.97 -2.23 0.00 0.00 178.31 175.04 1pkl h ASN 364 N -0.01 0.55 0.04 0.41 -0.00 -0.61 -2.50 115.58 113.47 1pkl h ASN 364 Ca 0.15 -0.21 0.01 0.00 -0.00 0.00 0.00 56.30 56.25 1pkl h ASN 364 Cb 0.23 -0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.39 1pkl h ASN 364 CO -0.32 0.62 -0.11 0.28 -0.00 0.00 0.00 177.43 177.90 1pkl h SER 365 N 0.46 -0.32 -0.79 1.15 0.02 -0.99 -1.98 113.55 111.09 1pkl h SER 365 Ca 0.12 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 1pkl h SER 365 Cb 0.27 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1pkl h SER 365 CO -0.00 -0.17 0.52 0.40 -1.14 0.00 0.00 176.83 176.44 1pkl h ILE 366 N -0.21 1.09 -0.23 3.27 2.04 -1.39 -1.89 117.51 120.18 1pkl h ILE 366 Ca 0.03 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 1pkl h ILE 366 Cb 0.25 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1pkl h ILE 366 CO -0.09 0.17 -0.27 0.11 0.00 0.00 0.00 178.15 178.07 1pkl h LYS 367 N 0.93 0.44 0.00 2.37 1.57 -1.04 -2.15 116.57 118.69 1pkl h LYS 367 Ca 0.32 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1pkl h LYS 367 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1pkl h LYS 367 CO -0.10 0.68 0.00 1.63 -0.57 0.00 0.00 179.45 181.09 1pkl n LYS 368 N -4.11 0.20 0.05 3.15 4.76 -0.75 -3.33 118.16 118.14 1pkl n LYS 368 Ca -0.01 0.29 0.10 0.00 -2.87 0.00 0.00 58.31 55.82 1pkl n LYS 368 Cb 0.41 -1.80 -0.08 0.00 -1.84 0.00 0.00 35.03 31.73 1pkl n LYS 368 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1pkl n LEU 369 N -2.16 0.50 -4.74 -0.35 4.77 -0.85 -4.97 117.00 109.20 1pkl n LEU 369 Ca 0.04 0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 1pkl n LEU 369 Cb 0.33 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1pkl n LEU 369 CO 0.25 -0.08 0.84 -1.10 -1.33 0.00 0.00 177.39 175.97 1pkl s GLN 370 N -3.37 2.66 0.27 3.23 -1.52 -0.96 -5.00 119.66 114.96 1pkl s GLN 370 Ca -0.04 1.83 -0.10 0.00 -1.95 0.00 0.00 55.36 55.11 1pkl s GLN 370 Cb 0.11 -1.89 -0.07 0.00 -0.22 0.00 0.00 33.01 30.94 1pkl s GLN 370 CO 0.84 -1.45 0.61 -1.58 -0.25 0.00 0.00 175.29 173.45 1pkl s HIS 371 N -1.70 3.43 -0.14 0.91 5.65 -1.26 -5.07 115.29 117.11 1pkl s HIS 371 Ca 0.77 0.91 0.01 0.00 0.25 0.00 0.00 55.06 57.00 1pkl s HIS 371 Cb -0.31 -2.30 0.02 0.00 -1.18 0.00 0.00 32.58 28.81 1pkl s HIS 371 CO 0.38 0.18 -0.16 0.42 -0.65 0.00 0.00 174.74 174.91 1pkl s ILE 372 N -1.95 1.69 0.61 0.89 1.01 -1.26 -3.20 121.20 118.99 1pkl s ILE 372 Ca 0.48 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 1pkl s ILE 372 Cb -0.11 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1pkl s ILE 372 CO 0.23 0.48 1.03 -2.16 0.00 0.00 0.00 174.94 174.52 1pkl s PRO 373 N 1.21 3.43 0.38 2.79 0.04 -1.26 -5.20 135.00 136.39 1pkl s PRO 373 Ca -0.00 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.08 1pkl s PRO 373 Cb -0.14 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1pkl s PRO 373 CO -0.07 -0.71 0.06 0.00 0.04 0.00 0.00 177.00 176.33 1pkl s MET 374 N -4.64 2.09 0.71 4.56 0.23 -1.19 -5.13 119.30 115.93 1pkl s MET 374 Ca 0.59 -1.87 -0.11 0.00 -1.03 0.00 0.00 55.69 53.27 1pkl s MET 374 Cb -0.13 -1.87 0.02 0.00 -1.53 0.00 0.00 34.83 31.32 1pkl s MET 374 CO 0.45 0.01 1.07 -1.54 -2.03 0.00 0.00 175.02 172.98 1pkl s SER 375 N -3.77 5.23 0.15 -1.18 1.04 -1.26 -4.85 113.70 109.05 1pkl s SER 375 Ca 0.37 1.65 -0.21 0.00 0.48 0.00 0.00 55.95 58.23 1pkl s SER 375 Cb 0.04 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.70 1pkl s SER 375 CO 0.20 -1.55 1.65 0.00 0.98 0.00 0.00 173.24 174.52 1pkl h ALA 376 N -0.79 -0.03 -0.20 5.32 0.00 -2.00 -1.50 119.26 120.07 1pkl h ALA 376 Ca -0.44 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1pkl h ALA 376 Cb 1.21 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1pkl h ALA 376 CO 0.56 -0.61 -0.22 -0.44 0.00 0.00 0.00 179.25 178.54 1pkl h ASP 377 N -0.19 -0.70 -0.33 0.00 3.32 -1.99 0.24 116.42 116.78 1pkl h ASP 377 Ca 0.14 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1pkl h ASP 377 Cb 0.40 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1pkl h ASP 377 CO -0.36 -0.26 0.03 -0.08 -1.72 0.00 0.00 179.24 176.84 1pkl h GLU 378 N -0.25 0.13 -0.46 3.56 4.57 -1.88 -1.49 114.58 118.76 1pkl h GLU 378 Ca 0.12 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1pkl h GLU 378 Cb 0.43 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1pkl h GLU 378 CO -0.34 0.08 -0.02 0.00 -1.18 0.00 0.00 179.01 177.56 1pkl h ALA 379 N 1.26 1.10 -0.29 2.92 0.00 -0.73 -2.75 119.26 120.76 1pkl h ALA 379 Ca 0.16 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1pkl h ALA 379 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pkl h ALA 379 CO -0.24 0.57 -0.21 0.28 0.00 0.00 0.00 179.25 179.66 1pkl h VAL 380 N 0.72 1.30 -0.26 0.00 2.07 -0.53 -2.24 116.25 117.31 1pkl h VAL 380 Ca 0.14 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 1pkl h VAL 380 Cb 0.47 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1pkl h VAL 380 CO 0.02 0.43 -0.24 0.00 0.02 0.00 0.00 177.57 177.80 1pkl h SER 382 N 0.44 0.69 -0.46 0.00 4.64 -1.49 -2.24 113.55 115.13 1pkl h SER 382 Ca 0.07 -0.61 -0.08 0.00 -0.47 0.00 0.00 61.79 60.70 1pkl h SER 382 Cb 0.65 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1pkl h SER 382 CO 0.05 1.18 0.02 0.28 -0.87 0.00 0.00 176.83 177.49 1pkl h SER 383 N 0.23 0.83 -0.49 4.97 0.02 -1.32 0.23 113.55 118.02 1pkl h SER 383 Ca -0.02 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1pkl h SER 383 Cb 1.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1pkl h SER 383 CO 0.11 0.88 0.15 0.00 -1.14 0.00 0.00 176.83 176.83 1pkl h ALA 384 N 1.21 0.64 0.00 3.77 0.00 -1.07 0.81 119.26 124.62 1pkl h ALA 384 Ca 0.16 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1pkl h ALA 384 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1pkl h ALA 384 CO 0.02 0.29 -0.51 0.28 0.00 0.00 0.00 179.25 179.33 1pkl h VAL 385 N 0.65 1.16 -0.17 0.00 2.07 -1.11 -2.63 116.25 116.21 1pkl h VAL 385 Ca 0.16 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1pkl h VAL 385 Cb 0.27 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1pkl h VAL 385 CO -0.01 0.50 0.04 -1.13 0.02 0.00 0.00 177.57 176.99 1pkl h ASN 386 N 0.00 0.27 -0.71 0.57 -0.00 0.01 -2.42 115.58 113.30 1pkl h ASN 386 Ca -0.01 -0.24 0.05 0.00 -0.00 0.00 0.00 56.30 56.10 1pkl h ASN 386 Cb 1.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 38.32 39.25 1pkl h ASN 386 CO 0.07 0.45 0.47 0.28 -0.00 0.00 0.00 177.43 178.69 1pkl h SER 387 N 0.08 0.70 -0.34 1.15 0.02 -0.69 0.30 113.55 114.78 1pkl h SER 387 Ca 0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1pkl h SER 387 Cb 0.29 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1pkl h SER 387 CO 0.00 0.47 0.22 0.58 -1.14 0.00 0.00 176.83 176.96 1pkl h VAL 388 N 0.81 1.09 -0.39 2.27 2.07 -1.08 0.11 116.25 121.12 1pkl h VAL 388 Ca 0.29 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 1pkl h VAL 388 Cb 0.14 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1pkl h VAL 388 CO -0.09 0.09 -0.21 1.88 0.02 0.00 0.00 177.57 179.26 1pkl h TYR 389 N 0.45 0.88 0.11 1.57 0.05 -0.82 0.64 116.97 119.84 1pkl h TYR 389 Ca 0.12 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1pkl h TYR 389 Cb -0.04 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.49 1pkl h TYR 389 CO -0.05 0.92 -0.05 0.93 -1.05 0.00 0.00 178.16 178.86 1pkl h GLU 390 N 0.68 -0.14 -0.01 4.88 5.08 -0.51 -3.21 114.58 121.35 1pkl h GLU 390 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1pkl h GLU 390 Cb 0.72 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1pkl h GLU 390 CO 0.06 0.12 -0.16 0.25 -1.00 0.00 0.00 179.01 178.27 1pkl n THR 391 N -5.04 0.00 -3.77 1.13 -2.24 0.32 -4.94 114.28 99.74 1pkl n THR 391 Ca -0.08 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 1pkl n THR 391 Cb 0.18 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.44 -5.58 -1.93 -0.78 5.02 0.17 -4.90 118.16 109.72 1pkl n LYS 392 Ca 0.15 0.64 -0.36 0.00 -2.02 0.00 0.00 58.31 56.72 1pkl n LYS 392 Cb 0.34 -5.42 0.04 0.00 -0.02 0.00 0.00 35.03 29.97 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 -3.46 2.49 -1.05 7.82 0.00 -0.93 -4.81 121.76 121.82 1pkl s ALA 393 Ca 0.35 0.98 0.15 0.00 0.00 0.00 0.00 51.96 53.44 1pkl s ALA 393 Cb -0.17 -3.45 0.48 0.00 0.00 0.00 0.00 23.12 19.98 1pkl s ALA 393 CO 0.81 -1.26 1.41 1.63 0.00 0.00 0.00 175.76 178.34 1pkl n LYS 394 N -1.77 3.03 -3.61 0.00 5.02 -0.77 -4.83 118.16 115.23 1pkl n LYS 394 Ca 0.14 -2.45 -0.04 0.00 -2.02 0.00 0.00 58.31 53.94 1pkl n LYS 394 Cb 0.50 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.44 -2.11 -0.01 7.82 0.00 -1.26 -4.44 121.76 120.33 1pkl s ALA 395 Ca 0.36 1.72 0.04 0.00 0.00 0.00 0.00 51.96 54.08 1pkl s ALA 395 Cb 0.22 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1pkl s ALA 395 CO 0.20 -0.52 -0.13 -1.64 0.00 0.00 0.00 175.76 173.67 1pkl s MET 396 N -2.06 1.03 -0.21 0.00 -1.94 -0.74 -2.23 119.30 113.15 1pkl s MET 396 Ca 0.09 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1pkl s MET 396 Cb -0.01 -1.00 0.04 0.00 2.01 0.00 0.00 34.83 35.87 1pkl s MET 396 CO -0.04 0.27 -0.16 0.08 -0.01 0.00 0.00 175.02 175.16 1pkl s VAL 397 N -0.33 2.09 -0.22 -6.03 1.01 0.12 -0.28 120.40 116.77 1pkl s VAL 397 Ca 0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.77 1pkl s VAL 397 Cb -0.05 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1pkl s VAL 397 CO -0.00 0.30 -0.06 -0.69 0.00 0.00 0.00 175.10 174.64 1pkl s VAL 398 N 1.21 3.22 -0.48 2.92 1.01 0.39 -1.35 120.40 127.33 1pkl s VAL 398 Ca -0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1pkl s VAL 398 Cb -0.16 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1pkl s VAL 398 CO -0.10 0.44 0.70 -0.76 0.00 0.00 0.00 175.10 175.38 1pkl s LEU 399 N 1.45 4.58 -0.04 3.92 1.43 -1.15 -1.11 118.68 127.76 1pkl s LEU 399 Ca 0.06 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1pkl s LEU 399 Cb -0.14 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1pkl s LEU 399 CO -0.04 -0.91 0.02 -0.55 0.23 0.00 0.00 176.35 175.10 1pkl s SER 400 N 2.41 0.77 -0.04 2.29 0.15 -0.99 -4.95 113.70 113.33 1pkl s SER 400 Ca 0.22 0.00 0.06 0.00 0.70 0.00 0.00 55.95 56.94 1pkl s SER 400 Cb -0.15 -0.21 -0.24 0.00 -1.71 0.00 0.00 66.02 63.70 1pkl s SER 400 CO 0.17 -0.16 0.67 0.78 1.20 0.00 0.00 173.24 175.90 1pkl h ASN 401 N 7.78 0.13 0.10 5.45 -0.26 -1.95 -3.35 115.58 123.48 1pkl h ASN 401 Ca -0.30 -0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.18 1pkl h ASN 401 Cb 1.13 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1pkl h ASN 401 CO 0.35 1.23 -1.30 0.35 -1.06 0.00 0.00 177.43 176.99 1pkl n THR 402 N -3.20 0.03 -0.34 2.81 -2.24 -1.26 -4.42 114.28 105.66 1pkl n THR 402 Ca -0.19 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1pkl n THR 402 Cb 1.04 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 1.40 0.83 0.14 3.38 0.00 -1.26 -4.88 105.19 104.79 1pkl n GLY 403 Ca 0.01 0.00 -0.10 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 3.95 0.39 -0.33 1.61 2.43 -1.93 -2.05 114.38 118.45 1pkl h ARG 404 Ca 0.00 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1pkl h ARG 404 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1pkl h ARG 404 CO 0.00 0.39 0.06 0.77 -1.51 0.00 0.00 179.97 179.67 1pkl h SER 405 N 0.30 0.52 -0.96 -3.80 0.02 -1.93 -1.49 113.55 106.22 1pkl h SER 405 Ca 0.09 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1pkl h SER 405 Cb 0.13 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 1pkl h SER 405 CO -0.01 0.64 0.61 0.00 -1.14 0.00 0.00 176.83 176.93 1pkl h ALA 406 N 0.90 1.36 -0.11 3.77 0.00 -1.91 0.16 119.26 123.42 1pkl h ALA 406 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1pkl h ALA 406 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pkl h ALA 406 CO 0.01 0.34 -0.54 -0.09 0.00 0.00 0.00 179.25 178.96 1pkl h ARG 407 N 1.07 0.33 -0.07 0.00 2.43 -1.19 -1.01 114.38 115.94 1pkl h ARG 407 Ca 0.43 -0.21 -0.24 0.00 -0.81 0.00 0.00 59.98 59.15 1pkl h ARG 407 Cb 0.25 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1pkl h ARG 407 CO -0.20 0.79 -0.91 1.25 -1.51 0.00 0.00 179.97 179.39 1pkl h LEU 408 N 0.26 0.90 -0.31 3.80 5.85 -0.17 -2.71 115.31 122.93 1pkl h LEU 408 Ca 0.00 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 1pkl h LEU 408 Cb 1.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1pkl h LEU 408 CO 0.09 1.45 0.03 0.58 -0.34 0.00 0.00 178.44 180.25 1pkl h VAL 409 N 0.45 1.24 -0.00 1.05 2.07 -0.69 -2.63 116.25 117.74 1pkl h VAL 409 Ca -0.09 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1pkl h VAL 409 Cb 1.55 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1pkl h VAL 409 CO 0.18 0.28 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1pkl h ALA 410 N 0.86 1.61 -0.57 1.67 0.00 -1.19 -1.73 119.26 119.91 1pkl h ALA 410 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 410 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1pkl h ALA 410 CO 0.01 -0.01 0.22 -0.22 0.00 0.00 0.00 179.25 179.25 1pkl h LYS 411 N 0.00 0.83 0.00 0.00 3.64 -1.13 -2.25 116.57 117.66 1pkl h LYS 411 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1pkl h LYS 411 Cb 0.01 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1pkl h LYS 411 CO -0.00 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 1pkl n TYR 412 N -4.32 0.00 -3.18 1.91 4.01 -0.65 -4.86 117.16 110.07 1pkl n TYR 412 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1pkl n TYR 412 Cb 0.17 -0.41 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 -1.41 -1.54 -2.47 -0.72 5.12 -0.85 -3.43 116.66 111.36 1pkl n ARG 413 Ca 0.07 1.46 -0.33 0.00 -1.93 0.00 0.00 57.85 57.11 1pkl n ARG 413 Cb 0.22 -4.98 -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 -3.27 3.77 -0.31 5.56 0.02 -1.26 -4.54 135.00 134.98 1pkl s PRO 414 Ca 0.05 1.27 -0.01 0.00 0.02 0.00 0.00 61.00 62.33 1pkl s PRO 414 Cb -0.01 -2.10 0.18 0.00 0.02 0.00 0.00 34.50 32.59 1pkl s PRO 414 CO 0.78 -0.44 2.12 0.27 -0.33 0.00 0.00 177.00 179.40 1pkl n ASN 415 N -1.17 6.39 -3.59 2.53 6.94 -1.26 -4.82 115.26 120.26 1pkl n ASN 415 Ca 0.09 -3.03 -0.12 0.00 -0.02 0.00 0.00 54.58 51.50 1pkl n ASN 415 Cb 0.53 -1.09 -0.05 0.00 -2.36 0.00 0.00 39.78 36.82 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 0.01 1.68 -4.58 0.00 -0.02 -1.26 -4.82 135.00 126.01 1pkl n PRO 417 Ca -0.17 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 1pkl n PRO 417 Cb 0.62 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 1pkl n PRO 417 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pkl s ILE 418 N -1.28 3.45 -0.23 4.25 1.01 -0.88 -1.79 121.20 125.73 1pkl s ILE 418 Ca 0.68 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 1pkl s ILE 418 Cb -0.45 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.55 1pkl s ILE 418 CO 0.53 0.51 -0.09 -0.69 0.00 0.00 0.00 174.94 175.19 1pkl s VAL 419 N 0.37 2.73 -0.20 2.92 1.01 0.62 -1.57 120.40 126.28 1pkl s VAL 419 Ca -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1pkl s VAL 419 Cb -0.15 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1pkl s VAL 419 CO 0.04 0.32 0.11 0.00 0.00 0.00 0.00 175.10 175.56 1pkl s VAL 421 N 0.54 3.89 0.21 0.00 1.01 -0.27 0.01 120.40 125.79 1pkl s VAL 421 Ca 0.06 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1pkl s VAL 421 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1pkl s VAL 421 CO 0.00 0.22 -0.18 -0.89 0.00 0.00 0.00 175.10 174.25 1pkl s THR 422 N 1.52 2.03 -2.75 3.92 2.01 -0.76 -2.34 115.64 119.26 1pkl s THR 422 Ca 0.04 -2.16 0.23 0.00 0.31 0.00 0.00 61.69 60.11 1pkl s THR 422 Cb -0.16 -2.06 0.15 0.00 0.01 0.00 0.00 72.50 70.43 1pkl s THR 422 CO 0.01 -0.41 1.21 0.35 -0.69 0.00 0.00 174.62 175.09 1pkl n THR 423 N -0.18 0.00 -4.12 -0.82 -2.24 -1.26 -0.05 114.28 105.61 1pkl n THR 423 Ca -0.09 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 1pkl n THR 423 Cb 0.59 1.44 -0.15 0.00 -2.10 0.00 0.00 70.33 70.11 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 -2.06 3.12 0.46 -0.78 0.52 -1.26 -4.70 118.95 114.24 1pkl s ARG 424 Ca 0.26 -0.77 0.22 0.00 -0.52 0.00 0.00 55.73 54.91 1pkl s ARG 424 Cb 0.19 -2.69 1.11 0.00 0.52 0.00 0.00 34.95 34.08 1pkl s ARG 424 CO 0.35 -0.18 1.95 1.25 0.02 0.00 0.00 175.30 178.69 1pkl h LEU 425 N 7.90 0.00 -0.82 2.53 5.85 -1.94 -2.12 115.31 126.71 1pkl h LEU 425 Ca -0.43 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 1pkl h LEU 425 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1pkl h LEU 425 CO 0.62 0.22 -0.50 -0.61 -0.34 0.00 0.00 178.44 177.83 1pkl h GLN 426 N 0.00 0.00 -0.36 1.25 4.15 -1.96 -2.68 115.11 115.52 1pkl h GLN 426 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1pkl h GLN 426 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1pkl h GLN 426 CO 0.03 0.50 -0.24 1.15 -1.93 0.00 0.00 178.83 178.34 1pkl h THR 427 N 0.00 1.27 -0.76 2.39 2.02 -1.68 0.13 112.91 116.28 1pkl h THR 427 Ca -0.00 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 1pkl h THR 427 Cb 1.01 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 1pkl h THR 427 CO 0.06 0.44 0.39 0.00 0.37 0.00 0.00 175.52 176.79 1pkl h ARG 429 N 1.06 0.38 -0.07 0.00 3.08 -1.20 -3.32 114.38 114.31 1pkl h ARG 429 Ca 0.26 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1pkl h ARG 429 Cb 0.07 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1pkl h ARG 429 CO -0.04 1.10 -0.26 1.96 -1.07 0.00 0.00 179.97 181.66 1pkl h GLN 430 N -0.17 0.12 0.00 0.04 4.20 -0.59 -2.02 115.11 116.68 1pkl h GLN 430 Ca -0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1pkl h GLN 430 Cb 1.31 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1pkl h GLN 430 CO 0.11 0.38 0.00 1.28 -0.67 0.00 0.00 178.83 179.93 1pkl n LEU 431 N -4.19 0.00 0.02 1.46 4.77 -0.27 -3.04 117.00 115.75 1pkl n LEU 431 Ca -0.02 0.09 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 1pkl n LEU 431 Cb 0.34 -0.09 0.33 0.00 -2.33 0.00 0.00 43.42 41.66 1pkl n LEU 431 CO 0.39 -0.04 0.74 0.59 -1.33 0.00 0.00 177.39 177.74 1pkl n ASN 432 N -1.09 0.09 -0.79 -1.43 3.02 -0.76 -1.85 115.26 112.44 1pkl n ASN 432 Ca 0.13 0.52 0.09 0.00 -0.03 0.00 0.00 54.58 55.29 1pkl n ASN 432 Cb 0.10 -0.54 0.12 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.60 0.27 -3.74 2.41 -5.35 -1.17 -4.78 119.36 105.41 1pkl n ILE 433 Ca 0.03 -0.64 -0.37 0.00 -0.27 0.00 0.00 62.75 61.51 1pkl n ILE 433 Cb 0.17 1.13 -0.11 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.34 4.81 0.42 7.28 2.01 -0.77 -4.48 115.64 123.57 1pkl s THR 434 Ca 0.25 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1pkl s THR 434 Cb 0.16 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 1pkl s THR 434 CO 0.23 0.33 1.35 -1.58 -0.69 0.00 0.00 174.62 174.25 1pkl s GLN 435 N 1.40 3.85 -0.41 4.92 -0.44 -1.26 -3.70 119.66 124.02 1pkl s GLN 435 Ca 0.06 2.24 0.00 0.00 -2.50 0.00 0.00 55.36 55.16 1pkl s GLN 435 Cb -0.15 -2.71 0.00 0.00 -1.64 0.00 0.00 33.01 28.51 1pkl s GLN 435 CO 0.06 -0.62 0.00 0.41 0.50 0.00 0.00 175.29 175.64 1pkl n GLY 436 N 0.63 0.61 3.43 2.59 0.00 0.13 -4.94 105.19 107.64 1pkl n GLY 436 Ca 0.04 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.86 2.39 -0.05 1.61 1.01 -1.24 -2.07 120.40 120.18 1pkl s VAL 437 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.96 1pkl s VAL 437 Cb 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1pkl s VAL 437 CO 0.00 -0.10 0.11 -1.61 0.00 0.00 0.00 175.10 173.50 1pkl s GLU 438 N -2.63 0.08 -0.01 2.72 2.02 -0.61 -4.95 118.70 115.32 1pkl s GLU 438 Ca 0.20 0.24 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1pkl s GLU 438 Cb -0.08 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 1pkl s GLU 438 CO 0.10 -0.10 0.11 -1.12 0.02 0.00 0.00 175.26 174.27 1pkl s SER 439 N 0.65 5.87 -0.16 -0.19 0.01 -1.26 -0.08 113.70 118.55 1pkl s SER 439 Ca -0.05 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1pkl s SER 439 Cb -0.07 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.45 1pkl s SER 439 CO -0.03 0.27 -0.16 -0.69 0.41 0.00 0.00 173.24 173.04 1pkl s VAL 440 N -1.23 1.74 -0.08 3.43 1.01 0.10 -4.92 120.40 120.44 1pkl s VAL 440 Ca 0.24 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1pkl s VAL 440 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1pkl s VAL 440 CO 0.15 0.49 0.87 0.12 0.00 0.00 0.00 175.10 176.72 1pkl s PHE 441 N 1.42 3.55 -0.34 5.22 5.36 -1.26 -1.84 117.98 130.09 1pkl s PHE 441 Ca 0.05 1.44 -0.04 0.00 -0.96 0.00 0.00 56.93 57.41 1pkl s PHE 441 Cb -0.13 -3.02 0.06 0.00 -0.34 0.00 0.00 43.02 39.59 1pkl s PHE 441 CO -0.12 -0.08 0.09 0.12 -1.46 0.00 0.00 175.22 173.77 1pkl s PHE 442 N 1.44 3.31 -0.74 10.12 5.36 0.93 -4.95 117.98 133.46 1pkl s PHE 442 Ca 0.44 -1.73 -0.26 0.00 -0.96 0.00 0.00 56.93 54.41 1pkl s PHE 442 Cb -0.18 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 1pkl s PHE 442 CO 0.19 -0.80 1.63 0.34 -1.46 0.00 0.00 175.22 175.13 1pkl s ASP 443 N 1.47 5.68 0.50 6.13 -1.08 -1.26 -4.18 116.67 123.93 1pkl s ASP 443 Ca -0.01 -0.25 0.18 0.00 -0.52 0.00 0.00 52.55 51.95 1pkl s ASP 443 Cb -0.20 -2.55 1.25 0.00 -1.46 0.00 0.00 42.92 39.96 1pkl s ASP 443 CO 0.00 -2.15 2.10 0.00 0.52 0.00 0.00 175.17 175.64 1pkl h ALA 444 N 12.28 1.79 0.00 3.66 0.00 -1.84 -2.62 119.26 132.53 1pkl h ALA 444 Ca -0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1pkl h ALA 444 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pkl h ALA 444 CO 1.26 0.09 -0.45 -0.44 0.00 0.00 0.00 179.25 179.71 1pkl h ASP 445 N 0.00 0.00 -0.30 0.00 3.32 -1.89 -1.97 116.42 115.58 1pkl h ASP 445 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1pkl h ASP 445 Cb 0.14 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.49 1pkl h ASP 445 CO 0.01 0.45 -0.67 0.29 -1.72 0.00 0.00 179.24 177.59 1pkl n LYS 446 N -3.39 2.27 0.00 3.56 5.02 -1.01 -4.72 118.16 119.89 1pkl n LYS 446 Ca 0.01 -3.57 0.00 0.00 -2.02 0.00 0.00 58.31 52.73 1pkl n LYS 446 Cb 0.62 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1pkl n LYS 446 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pkl n LEU 447 N -0.86 0.00 0.00 -0.35 4.77 -1.06 -4.98 117.00 114.52 1pkl n LEU 447 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1pkl n LEU 447 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1pkl n LEU 447 CO 0.13 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1pkl n GLY 448 N -0.31 3.17 0.00 -0.72 0.00 -0.74 -4.82 105.19 101.77 1pkl n GLY 448 Ca 0.00 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1pkl n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pkl n HIS 449 N -1.04 0.00 -3.30 1.61 8.25 -1.26 -4.54 115.22 114.94 1pkl n HIS 449 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1pkl n HIS 449 Cb 0.00 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 1pkl n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pkl n ASP 450 N -1.06 0.18 -4.59 0.41 2.03 -1.26 -4.81 116.55 107.45 1pkl n ASP 450 Ca 0.18 -0.62 -0.42 0.00 0.52 0.00 0.00 54.79 54.46 1pkl n ASP 450 Cb 0.12 -0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 1pkl n ASP 450 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1pkl s GLU 451 N -4.90 3.03 0.00 -0.67 -1.05 -1.26 -0.75 118.70 113.10 1pkl s GLU 451 Ca 0.09 1.77 0.00 0.00 -0.15 0.00 0.00 54.97 56.68 1pkl s GLU 451 Cb -0.05 -4.36 0.00 0.00 -0.44 0.00 0.00 34.13 29.28 1pkl s GLU 451 CO 0.49 -2.22 0.00 0.41 0.95 0.00 0.00 175.26 174.89 1pkl n GLY 452 N 5.72 0.97 2.56 -3.83 0.00 -1.26 -4.86 105.19 104.48 1pkl n GLY 452 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 1pkl n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pkl n LYS 453 N 0.00 -1.76 0.17 1.61 4.01 0.07 -4.86 118.16 117.40 1pkl n LYS 453 Ca 0.00 0.59 -0.14 0.00 -0.51 0.00 0.00 58.31 58.25 1pkl n LYS 453 Cb 0.00 -4.71 -0.07 0.00 -0.51 0.00 0.00 35.03 29.75 1pkl n LYS 453 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1pkl h GLU 454 N 0.00 -0.47 -0.42 1.97 4.81 -1.89 -2.17 114.58 116.41 1pkl h GLU 454 Ca -0.12 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1pkl h GLU 454 Cb 0.86 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1pkl h GLU 454 CO 0.18 -0.31 -0.07 0.45 -0.73 0.00 0.00 179.01 178.53 1pkl h HIS 455 N -0.49 0.77 -0.38 0.92 3.86 -1.90 -2.49 115.15 115.45 1pkl h HIS 455 Ca -0.01 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 1pkl h HIS 455 Cb 0.43 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1pkl h HIS 455 CO -0.13 0.76 -0.08 0.00 0.86 0.00 0.00 177.93 179.34 1pkl h ARG 456 N 0.66 0.72 -0.63 2.45 3.08 -1.91 -1.11 114.38 117.65 1pkl h ARG 456 Ca 0.12 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1pkl h ARG 456 Cb 0.51 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1pkl h ARG 456 CO 0.03 0.86 0.40 0.28 -1.07 0.00 0.00 179.97 180.47 1pkl h VAL 457 N 0.53 1.17 -0.79 2.04 2.07 -1.29 -0.74 116.25 119.24 1pkl h VAL 457 Ca 0.10 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1pkl h VAL 457 Cb 0.59 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1pkl h VAL 457 CO 0.04 0.18 0.47 0.00 0.02 0.00 0.00 177.57 178.27 1pkl h ALA 458 N 1.21 1.01 -0.45 1.67 0.00 -1.27 -0.71 119.26 120.72 1pkl h ALA 458 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pkl h ALA 458 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1pkl h ALA 458 CO -0.05 0.49 0.20 0.00 0.00 0.00 0.00 179.25 179.89 1pkl h ALA 459 N 1.25 0.58 -0.76 0.00 0.00 -0.67 0.67 119.26 120.33 1pkl h ALA 459 Ca 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1pkl h ALA 459 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1pkl h ALA 459 CO -0.05 0.16 0.30 0.78 0.00 0.00 0.00 179.25 180.45 1pkl h GLY 460 N 0.58 1.22 1.24 0.00 0.00 -0.68 -1.83 103.07 103.60 1pkl h GLY 460 Ca 0.15 -0.67 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 1pkl h GLY 460 CO -0.02 0.63 -0.30 -2.08 0.00 0.00 0.00 176.54 174.77 1pkl h VAL 461 N 1.10 1.28 -0.36 4.60 2.07 -0.82 -1.97 116.25 122.15 1pkl h VAL 461 Ca 0.25 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1pkl h VAL 461 Cb 0.21 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1pkl h VAL 461 CO -0.02 0.49 -0.09 -0.08 0.02 0.00 0.00 177.57 177.89 1pkl h GLU 462 N 0.72 0.61 -0.28 1.57 4.57 -0.57 0.33 114.58 121.52 1pkl h GLU 462 Ca 0.08 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1pkl h GLU 462 Cb 0.86 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1pkl h GLU 462 CO 0.08 0.69 -0.01 0.35 -1.18 0.00 0.00 179.01 178.94 1pkl h PHE 463 N 0.56 0.56 -0.59 0.92 3.57 -1.19 0.69 116.94 121.46 1pkl h PHE 463 Ca 0.10 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1pkl h PHE 463 Cb 0.49 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1pkl h PHE 463 CO 0.02 0.66 0.29 0.00 -2.23 0.00 0.00 178.31 177.05 1pkl h ALA 464 N 0.82 0.76 -0.43 2.41 0.00 -0.97 0.45 119.26 122.29 1pkl h ALA 464 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1pkl h ALA 464 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1pkl h ALA 464 CO 0.02 0.31 0.14 -0.22 0.00 0.00 0.00 179.25 179.50 1pkl h LYS 465 N 0.80 0.67 -0.06 0.00 3.64 -0.09 -0.05 116.57 121.49 1pkl h LYS 465 Ca 0.20 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1pkl h LYS 465 Cb 0.10 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1pkl h LYS 465 CO -0.03 0.65 -0.46 0.66 -2.27 0.00 0.00 179.45 178.00 1pkl h SER 466 N 0.56 0.14 0.29 4.20 4.64 0.85 -2.51 113.55 121.72 1pkl h SER 466 Ca 0.14 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1pkl h SER 466 Cb 0.26 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1pkl h SER 466 CO -0.01 0.59 0.00 0.29 -0.87 0.00 0.00 176.83 176.83 1pkl n LYS 467 N -3.98 0.62 -1.11 4.77 4.76 0.15 -4.89 118.16 118.48 1pkl n LYS 467 Ca -0.02 0.01 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1pkl n LYS 467 Cb 0.50 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1pkl n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pkl n GLY 468 N 0.95 0.67 0.11 0.72 0.00 -0.95 -4.94 105.19 101.76 1pkl n GLY 468 Ca 0.17 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 1pkl n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pkl h TYR 469 N 0.00 0.39 -3.57 1.61 0.05 -1.24 -3.47 116.97 110.74 1pkl h TYR 469 Ca -0.08 -0.25 -0.45 0.00 0.05 0.00 0.00 58.73 58.00 1pkl h TYR 469 Cb 0.26 -0.03 -0.19 0.00 1.01 0.00 0.00 36.73 37.79 1pkl h TYR 469 CO 0.12 1.12 -0.77 0.14 -1.05 0.00 0.00 178.16 177.72 1pkl s VAL 470 N -2.76 1.47 0.32 -2.88 -7.23 -1.20 -4.79 120.40 103.32 1pkl s VAL 470 Ca -0.15 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 1pkl s VAL 470 Cb 0.01 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1pkl s VAL 470 CO 0.78 -0.35 0.17 0.00 -0.31 0.00 0.00 175.10 175.40 1pkl s GLN 471 N -2.57 1.64 0.12 4.82 -2.07 -1.26 -4.24 119.66 116.12 1pkl s GLN 471 Ca 0.09 -1.95 -0.35 0.00 -1.82 0.00 0.00 55.36 51.34 1pkl s GLN 471 Cb -0.06 -0.07 -0.14 0.00 -1.09 0.00 0.00 33.01 31.64 1pkl s GLN 471 CO 0.04 -0.48 1.55 2.41 -1.32 0.00 0.00 175.29 177.48 1pkl n THR 472 N -0.61 0.04 -0.16 3.63 -1.04 -1.25 -1.56 114.28 113.32 1pkl n THR 472 Ca 0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1pkl n THR 472 Cb 0.64 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 3.30 0.61 3.91 3.41 0.00 0.12 -4.94 105.19 111.59 1pkl n GLY 473 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.86 6.44 0.14 1.61 1.01 -0.60 -4.75 116.67 117.65 1pkl s ASP 474 Ca 0.00 0.61 -0.20 0.00 0.71 0.00 0.00 52.55 53.67 1pkl s ASP 474 Cb 0.00 -2.10 -0.07 0.00 1.01 0.00 0.00 42.92 41.76 1pkl s ASP 474 CO 0.00 -0.12 0.65 -0.31 0.21 0.00 0.00 175.17 175.60 1pkl s TYR 475 N -1.98 3.78 -0.05 4.23 2.02 -1.26 0.49 117.35 124.58 1pkl s TYR 475 Ca 0.42 1.37 -0.01 0.00 -0.37 0.00 0.00 57.07 58.47 1pkl s TYR 475 Cb -0.11 -2.58 0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1pkl s TYR 475 CO 0.29 0.50 0.03 0.00 -1.57 0.00 0.00 175.55 174.80 1pkl s VAL 477 N 1.87 5.05 0.07 0.00 1.01 -0.95 -0.53 120.40 126.92 1pkl s VAL 477 Ca 0.02 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.18 1pkl s VAL 477 Cb -0.12 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1pkl s VAL 477 CO -0.03 0.15 -0.03 -0.69 0.00 0.00 0.00 175.10 174.49 1pkl s VAL 478 N 1.69 3.84 -0.00 2.92 1.01 0.27 -0.70 120.40 129.43 1pkl s VAL 478 Ca 0.28 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1pkl s VAL 478 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1pkl s VAL 478 CO 0.11 0.20 0.12 -0.51 0.00 0.00 0.00 175.10 175.02 1pkl s ILE 479 N -1.21 0.08 0.00 2.22 2.07 -0.46 -0.65 121.20 123.25 1pkl s ILE 479 Ca 0.23 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1pkl s ILE 479 Cb -0.11 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1pkl s ILE 479 CO 0.14 -0.35 0.00 0.00 -1.91 0.00 0.00 174.94 172.82 1pkl n ALA 489 N 1.64 -0.68 -3.49 1.50 0.00 -1.26 -2.94 120.51 115.29 1pkl n ALA 489 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1pkl n ALA 489 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1pkl n ALA 489 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1pkl s ASN 490 N 0.00 -0.49 -0.30 0.00 3.84 -1.26 -5.10 114.94 111.63 1pkl s ASN 490 Ca 0.00 0.22 -0.25 0.00 0.21 0.00 0.00 52.86 53.03 1pkl s ASN 490 Cb 0.00 0.47 0.19 0.00 -0.55 0.00 0.00 41.25 41.36 1pkl s ASN 490 CO 0.00 -0.69 1.42 -1.58 -2.79 0.00 0.00 177.10 173.46 1pkl s GLN 491 N -2.60 0.08 0.00 0.43 0.74 -1.26 -5.17 119.66 111.88 1pkl s GLN 491 Ca -0.01 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.51 1pkl s GLN 491 Cb -0.01 0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.14 1pkl s GLN 491 CO -0.05 -0.01 -0.05 0.99 -0.55 0.00 0.00 175.29 175.63 1pkl s THR 492 N -0.03 0.36 0.03 -0.34 2.01 -1.26 -4.27 115.64 112.14 1pkl s THR 492 Ca 0.07 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1pkl s THR 492 Cb -0.05 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1pkl s THR 492 CO -0.15 0.05 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.70 1pkl s ARG 493 N -0.23 0.45 -0.21 4.92 0.52 0.17 -4.98 118.95 119.59 1pkl s ARG 493 Ca 0.01 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.42 1pkl s ARG 493 Cb -0.02 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.64 1pkl s ARG 493 CO -0.00 -0.08 -0.16 0.42 0.02 0.00 0.00 175.30 175.50 1pkl s ILE 494 N -2.39 2.04 0.40 1.52 1.01 -1.26 -0.56 121.20 121.96 1pkl s ILE 494 Ca -0.07 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.46 1pkl s ILE 494 Cb -0.03 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1pkl s ILE 494 CO -0.04 0.30 0.49 -0.76 0.00 0.00 0.00 174.94 174.92 1pkl s LEU 495 N 1.24 3.63 -0.24 2.97 1.43 0.31 -4.92 118.68 123.10 1pkl s LEU 495 Ca -0.01 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1pkl s LEU 495 Cb -0.16 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.62 1pkl s LEU 495 CO -0.10 -0.66 -0.11 -0.22 0.23 0.00 0.00 176.35 175.49 1pkl s LEU 496 N -4.24 3.03 0.01 1.79 2.96 -1.26 -2.28 118.68 118.69 1pkl s LEU 496 Ca 0.51 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 1pkl s LEU 496 Cb -0.08 -1.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.97 1pkl s LEU 496 CO 0.31 -0.12 1.74 -0.69 -1.32 0.00 0.00 176.35 176.26 1pkl s VAL 497 N 1.23 3.27 -2.85 1.68 1.01 0.18 -4.83 120.40 120.09 1pkl s VAL 497 Ca -0.02 0.46 0.25 0.00 0.00 0.00 0.00 61.98 62.67 1pkl s VAL 497 Cb -0.17 -3.29 0.30 0.00 0.00 0.00 0.00 36.38 33.22 1pkl s VAL 497 CO -0.07 -0.03 1.41 -0.62 0.00 0.00 0.00 175.10 175.79