#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s ILE 3 N 0.00 4.36 -0.08 0.44 1.01 -1.26 -4.87 121.20 120.80 2pnk s ILE 3 Ca 0.00 0.50 0.12 0.00 0.00 0.00 0.00 60.65 61.27 2pnk s ILE 3 Cb 0.00 -4.53 0.19 0.00 0.01 0.00 0.00 42.46 38.12 2pnk s ILE 3 CO 0.00 -1.06 1.10 -0.46 0.00 0.00 0.00 174.94 174.51 2pnk n ASN 4 N 7.51 1.39 -3.57 3.58 6.94 -1.26 -4.70 115.26 125.14 2pnk n ASN 4 Ca 0.04 -2.67 -0.11 0.00 -0.02 0.00 0.00 54.58 51.82 2pnk n ASN 4 Cb 0.48 -0.34 -0.04 0.00 -2.36 0.00 0.00 39.78 37.52 2pnk n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2pnk s SER 5 N -2.15 -0.33 0.31 0.53 1.04 -1.26 -5.03 113.70 106.82 2pnk s SER 5 Ca 0.20 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 2pnk s SER 5 Cb 0.18 0.51 0.50 0.00 0.10 0.00 0.00 66.02 67.31 2pnk s SER 5 CO 0.01 -0.88 1.94 -0.09 0.98 0.00 0.00 173.24 175.19 2pnk h ARG 6 N 2.27 0.90 -0.11 4.02 2.43 -1.96 -0.45 114.38 121.47 2pnk h ARG 6 Ca -0.34 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2pnk h ARG 6 Cb 1.27 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2pnk h ARG 6 CO 0.44 0.67 0.06 1.49 -1.51 0.00 0.00 179.97 181.12 2pnk h GLU 7 N 0.91 0.16 -0.50 0.20 4.81 -1.99 0.28 114.58 118.45 2pnk h GLU 7 Ca 0.23 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2pnk h GLU 7 Cb 0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2pnk h GLU 7 CO -0.04 0.19 -0.08 0.28 -0.73 0.00 0.00 179.01 178.64 2pnk h VAL 8 N 0.08 1.27 -0.73 0.32 2.07 -1.92 -2.95 116.25 114.39 2pnk h VAL 8 Ca 0.04 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.39 2pnk h VAL 8 Cb 0.08 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2pnk h VAL 8 CO -0.01 0.42 0.45 0.25 0.02 0.00 0.00 177.57 178.70 2pnk h LEU 9 N 0.79 0.72 -0.81 2.57 5.85 -0.92 -0.82 115.31 122.69 2pnk h LEU 9 Ca 0.13 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2pnk h LEU 9 Cb 0.63 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2pnk h LEU 9 CO 0.04 0.48 0.45 0.00 -0.34 0.00 0.00 178.44 179.07 2pnk h ALA 10 N 1.33 1.15 -0.17 1.25 0.00 -0.28 -0.12 119.26 122.42 2pnk h ALA 10 Ca 0.30 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2pnk h ALA 10 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2pnk h ALA 10 CO -0.14 0.07 -0.17 1.49 0.00 0.00 0.00 179.25 180.50 2pnk h GLU 11 N 0.75 0.41 -0.41 0.00 4.81 -1.24 -1.36 114.58 117.53 2pnk h GLU 11 Ca 0.39 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2pnk h GLU 11 Cb 0.38 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2pnk h GLU 11 CO -0.26 0.78 -0.16 0.87 -0.73 0.00 0.00 179.01 179.51 2pnk h LYS 12 N 0.05 0.77 -0.06 1.92 1.79 -0.90 -2.35 116.57 117.80 2pnk h LYS 12 Ca 0.03 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 2pnk h LYS 12 Cb 0.70 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2pnk h LYS 12 CO 0.04 0.89 -0.10 0.28 -1.08 0.00 0.00 179.45 179.48 2pnk h VAL 13 N 0.69 1.41 -0.70 0.50 2.07 -1.02 -1.24 116.25 117.96 2pnk h VAL 13 Ca 0.11 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.31 2pnk h VAL 13 Cb 0.65 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 2pnk h VAL 13 CO 0.05 0.38 0.40 0.11 0.02 0.00 0.00 177.57 178.52 2pnk h LYS 14 N -0.32 0.70 -0.29 1.57 1.57 -1.27 0.15 116.57 118.68 2pnk h LYS 14 Ca 0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2pnk h LYS 14 Cb 0.66 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2pnk h LYS 14 CO 0.02 0.46 -0.19 -0.91 -0.57 0.00 0.00 179.45 178.27 2pnk h ASN 15 N 0.72 0.67 -0.61 0.86 2.35 -1.45 0.81 115.58 118.92 2pnk h ASN 15 Ca 0.31 -0.43 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2pnk h ASN 15 Cb 0.19 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2pnk h ASN 15 CO -0.19 0.96 0.36 0.00 -1.65 0.00 0.00 177.43 176.91 2pnk h ALA 16 N 0.73 0.80 -0.11 -0.83 0.00 -0.89 0.70 119.26 119.66 2pnk h ALA 16 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pnk h ALA 16 Cb 0.73 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pnk h ALA 16 CO 0.05 0.07 0.04 0.28 0.00 0.00 0.00 179.25 179.69 2pnk h VAL 17 N 0.69 1.15 -0.86 0.00 2.07 -0.89 -0.48 116.25 117.93 2pnk h VAL 17 Ca 0.26 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2pnk h VAL 17 Cb 0.08 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2pnk h VAL 17 CO -0.13 0.13 0.54 -1.13 0.02 0.00 0.00 177.57 177.00 2pnk h ASN 18 N 0.02 1.01 1.69 0.57 -1.24 -0.45 -2.97 115.58 114.22 2pnk h ASN 18 Ca 0.04 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2pnk h ASN 18 Cb 0.17 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2pnk h ASN 18 CO -0.00 0.76 -0.32 0.78 -1.29 0.00 0.00 177.43 177.36 2pnk h ASN 19 N 1.18 0.00 -2.74 1.15 2.35 -0.58 -3.45 115.58 113.49 2pnk h ASN 19 Ca 0.31 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.50 2pnk h ASN 19 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2pnk h ASN 19 CO -0.06 0.07 1.03 -1.58 -1.65 0.00 0.00 177.43 175.23 2pnk s GLN 20 N -3.21 4.15 0.26 0.81 2.00 -0.22 -4.97 119.66 118.47 2pnk s GLN 20 Ca 0.05 1.93 -0.31 0.00 -2.00 0.00 0.00 55.36 55.03 2pnk s GLN 20 Cb 0.06 -3.92 -0.12 0.00 0.80 0.00 0.00 33.01 29.84 2pnk s GLN 20 CO 0.71 -0.86 1.64 -2.30 -0.50 0.00 0.00 175.29 173.98 2pnk n PRO 21 N 7.02 2.69 -3.63 1.67 -0.02 -1.26 -4.92 135.00 136.55 2pnk n PRO 21 Ca 0.16 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 62.23 2pnk n PRO 21 Cb 0.44 -2.76 -0.06 0.00 -0.02 0.00 0.00 33.50 31.09 2pnk n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pnk s VAL 22 N 0.46 5.28 -0.25 -1.45 1.01 0.12 -4.68 120.40 120.89 2pnk s VAL 22 Ca 0.69 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 2pnk s VAL 22 Cb -0.51 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2pnk s VAL 22 CO 0.42 0.51 0.43 -0.89 0.00 0.00 0.00 175.10 175.58 2pnk s THR 23 N -0.44 5.14 0.35 3.92 2.01 -0.81 -1.09 115.64 124.72 2pnk s THR 23 Ca 0.18 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.96 2pnk s THR 23 Cb -0.14 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2pnk s THR 23 CO 0.07 0.15 0.49 -0.62 -0.69 0.00 0.00 174.62 174.02 2pnk s ASP 24 N 1.48 5.92 -0.42 3.53 -1.08 0.08 -4.73 116.67 121.45 2pnk s ASP 24 Ca 0.18 -0.23 -0.38 0.00 -0.52 0.00 0.00 52.55 51.60 2pnk s ASP 24 Cb -0.16 -1.13 -0.16 0.00 -1.46 0.00 0.00 42.92 40.01 2pnk s ASP 24 CO 0.09 -0.49 1.62 1.57 0.52 0.00 0.00 175.17 178.48 2pnk n HIS 26 N -1.68 1.20 -4.20 -5.34 -0.00 -1.26 -0.54 115.22 103.41 2pnk n HIS 26 Ca 0.01 0.79 -0.13 0.00 -0.00 0.00 0.00 57.72 58.39 2pnk n HIS 26 Cb 0.58 -1.92 -0.09 0.00 -0.00 0.00 0.00 29.99 28.56 2pnk n HIS 26 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2pnk s THR 27 N 3.99 0.00 -0.29 3.57 -4.23 -0.81 -0.61 115.64 117.26 2pnk s THR 27 Ca 0.96 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 2pnk s THR 27 Cb -1.27 -2.48 0.45 0.00 1.34 0.00 0.00 72.50 70.54 2pnk s THR 27 CO 0.62 0.00 1.28 1.41 -0.54 0.00 0.00 174.62 177.39 2pnk n HIS 28 N -0.35 1.86 -4.01 3.99 8.25 0.17 -2.16 115.22 122.96 2pnk n HIS 28 Ca 0.03 -2.01 -0.21 0.00 -0.26 0.00 0.00 57.72 55.26 2pnk n HIS 28 Cb 0.65 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2pnk n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pnk s LEU 29 N -3.48 4.13 0.07 2.41 1.43 -1.17 -4.57 118.68 117.50 2pnk s LEU 29 Ca 0.48 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2pnk s LEU 29 Cb 0.41 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2pnk s LEU 29 CO 0.00 -0.07 -0.16 -0.36 0.23 0.00 0.00 176.35 176.00 2pnk s PHE 30 N -2.04 1.34 0.22 0.29 0.08 -1.26 -4.41 117.98 112.20 2pnk s PHE 30 Ca 0.34 -0.43 -0.31 0.00 0.12 0.00 0.00 56.93 56.65 2pnk s PHE 30 Cb -0.09 -0.76 -0.15 0.00 -0.57 0.00 0.00 43.02 41.46 2pnk s PHE 30 CO 0.28 0.08 1.15 0.45 -0.10 0.00 0.00 175.22 177.08 2pnk n SER 31 N 1.37 1.55 0.29 1.36 2.88 -1.26 -4.79 113.62 115.01 2pnk n SER 31 Ca -0.20 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 2pnk n SER 31 Cb 0.54 -1.27 0.84 0.00 -0.75 0.00 0.00 64.21 63.57 2pnk n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pnk h PRO 32 N 3.04 0.00 0.00 -1.46 0.13 -1.94 -1.15 132.00 130.63 2pnk h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pnk h PRO 32 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2pnk h PRO 32 CO 0.68 0.01 0.00 0.27 -0.23 0.00 0.00 178.00 178.73 2pnk n ASN 33 N -4.00 0.49 0.00 1.44 6.94 -1.26 -1.86 115.26 117.01 2pnk n ASN 33 Ca -0.03 0.67 0.10 0.00 -0.02 0.00 0.00 54.58 55.30 2pnk n ASN 33 Cb 0.09 -0.75 0.50 0.00 -2.36 0.00 0.00 39.78 37.26 2pnk n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2pnk n PHE 34 N -2.09 0.00 -3.22 -2.53 3.01 -0.43 -5.00 117.46 107.20 2pnk n PHE 34 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2pnk n PHE 34 Cb 0.13 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 2pnk n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnk n GLY 35 N 0.52 0.46 0.22 1.37 0.00 -0.78 -4.29 105.19 102.70 2pnk n GLY 35 Ca 0.09 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.18 2pnk n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pnk h GLU 36 N 0.00 0.00 -0.16 1.61 4.39 -1.94 -2.32 114.58 116.16 2pnk h GLU 36 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2pnk h GLU 36 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2pnk h GLU 36 CO 0.00 0.00 0.12 -0.84 -1.16 0.00 0.00 179.01 177.13 2pnk h ILE 37 N 0.00 0.79 -2.66 3.13 3.07 -1.98 -3.36 117.51 116.50 2pnk h ILE 37 Ca 0.00 0.00 -0.55 0.00 1.55 0.00 0.00 64.86 65.86 2pnk h ILE 37 Cb 0.50 0.91 -0.04 0.00 -0.27 0.00 0.00 36.82 37.92 2pnk h ILE 37 CO 0.00 0.00 1.23 -0.22 -1.05 0.00 0.00 178.15 178.11 2pnk s LEU 38 N -8.58 3.46 -0.04 0.16 2.96 -0.88 -4.83 118.68 110.93 2pnk s LEU 38 Ca -0.05 0.83 -0.26 0.00 -0.22 0.00 0.00 54.13 54.44 2pnk s LEU 38 Cb 0.17 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 2pnk s LEU 38 CO 0.65 -1.81 0.79 -0.76 -1.32 0.00 0.00 176.35 173.90 2pnk s LEU 39 N 6.98 4.34 0.05 -0.68 1.43 -1.26 -5.01 118.68 124.53 2pnk s LEU 39 Ca 0.69 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.99 2pnk s LEU 39 Cb -0.17 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 42.83 2pnk s LEU 39 CO 0.29 -0.16 0.35 -1.66 0.23 0.00 0.00 176.35 175.41 2pnk s TRP 40 N 0.83 -0.17 0.00 0.29 1.48 -1.26 -0.65 118.94 119.46 2pnk s TRP 40 Ca 0.42 0.05 0.00 0.00 -1.06 0.00 0.00 56.10 55.51 2pnk s TRP 40 Cb -0.19 0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.27 2pnk s TRP 40 CO 0.22 -0.55 0.00 -0.40 -4.06 0.00 0.00 176.95 172.16 2pnk n ASP 41 N 0.47 0.00 -0.19 -2.66 5.68 -1.26 -4.63 116.55 113.96 2pnk n ASP 41 Ca -0.18 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.08 2pnk n ASP 41 Cb 0.60 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.74 2pnk n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2pnk h ILE 42 N 0.00 1.23 -0.65 2.12 6.09 -1.96 0.70 117.51 125.05 2pnk h ILE 42 Ca 0.00 -0.76 -0.04 0.00 -1.37 0.00 0.00 64.86 62.69 2pnk h ILE 42 Cb 0.00 0.50 -0.03 0.00 0.47 0.00 0.00 36.82 37.76 2pnk h ILE 42 CO 0.00 0.30 0.24 0.44 -3.07 0.00 0.00 178.15 176.06 2pnk h ASP 43 N 0.93 0.89 -0.30 2.19 3.32 -1.95 -0.72 116.42 120.78 2pnk h ASP 43 Ca 0.21 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2pnk h ASP 43 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2pnk h ASP 43 CO -0.01 0.80 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.80 2pnk h GLU 44 N 0.94 0.65 -0.52 3.56 4.39 -1.62 -2.45 114.58 119.53 2pnk h GLU 44 Ca 0.22 -0.30 0.10 0.00 0.34 0.00 0.00 59.36 59.72 2pnk h GLU 44 Cb 0.21 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 2pnk h GLU 44 CO -0.02 0.89 0.03 -0.07 -1.16 0.00 0.00 179.01 178.68 2pnk h LEU 45 N 0.39 -0.17 -1.19 1.33 3.38 -0.52 -2.37 115.31 116.17 2pnk h LEU 45 Ca 0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2pnk h LEU 45 Cb 0.72 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2pnk h LEU 45 CO 0.05 -0.05 -0.10 -0.07 0.09 0.00 0.00 178.44 178.35 2pnk h LEU 46 N 0.15 0.00 -2.67 1.67 3.38 -1.04 -3.06 115.31 113.74 2pnk h LEU 46 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2pnk h LEU 46 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pnk h LEU 46 CO -0.41 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.57 2pnk n THR 47 N -3.23 0.89 -1.53 0.22 -2.24 -0.93 -4.65 114.28 102.80 2pnk n THR 47 Ca 0.01 -0.94 -0.48 0.00 -2.27 0.00 0.00 64.05 60.36 2pnk n THR 47 Cb 0.38 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 2pnk n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnk n TYR 48 N 1.40 0.80 0.24 4.78 9.36 -0.92 -4.72 117.16 128.10 2pnk n TYR 48 Ca 0.21 0.79 0.14 0.00 3.32 0.00 0.00 57.90 62.35 2pnk n TYR 48 Cb 0.58 -2.18 0.78 0.00 -0.63 0.00 0.00 39.34 37.89 2pnk n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pnk h HIS 49 N 2.39 0.00 -0.64 2.98 2.07 -1.92 0.96 115.15 120.98 2pnk h HIS 49 Ca -0.39 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.13 2pnk h HIS 49 Cb 1.37 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.32 2pnk h HIS 49 CO 0.50 0.00 0.39 1.88 -3.07 0.00 0.00 177.93 177.63 2pnk h TYR 50 N 0.00 0.83 0.04 6.12 -1.99 -1.95 -1.39 116.97 118.64 2pnk h TYR 50 Ca 0.04 0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.55 2pnk h TYR 50 Cb 0.19 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 2pnk h TYR 50 CO 0.00 0.55 -1.07 -0.07 -0.00 0.00 0.00 178.16 177.57 2pnk h LEU 51 N 0.88 0.16 -0.24 3.88 3.38 -1.12 -2.91 115.31 119.34 2pnk h LEU 51 Ca 0.23 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pnk h LEU 51 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2pnk h LEU 51 CO -0.04 1.11 0.11 0.58 0.09 0.00 0.00 178.44 180.29 2pnk h VAL 52 N 0.03 0.98 -0.34 1.22 2.07 -1.06 0.16 116.25 119.33 2pnk h VAL 52 Ca -0.05 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2pnk h VAL 52 Cb 1.81 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 2pnk h VAL 52 CO 0.15 0.04 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 2pnk h ALA 53 N 1.13 0.18 -0.53 1.67 0.00 -1.30 -2.98 119.26 117.43 2pnk h ALA 53 Ca 0.10 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2pnk h ALA 53 Cb 0.03 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2pnk h ALA 53 CO -0.07 -0.49 0.02 0.93 0.00 0.00 0.00 179.25 179.64 2pnk h GLU 54 N -0.04 0.92 -2.00 0.00 5.08 -1.29 -3.21 114.58 114.05 2pnk h GLU 54 Ca 0.17 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 54 Cb 0.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2pnk h GLU 54 CO -0.37 0.93 0.00 1.55 -1.00 0.00 0.00 179.01 180.12 2pnk n VAL 55 N -4.31 0.29 0.00 3.13 3.14 0.55 -3.88 118.33 117.26 2pnk n VAL 55 Ca 0.02 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2pnk n VAL 55 Cb 0.31 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 2pnk n VAL 55 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2pnk n ARG 57 N 1.91 0.00 -0.03 1.45 1.74 -1.22 -0.85 116.66 119.66 2pnk n ARG 57 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2pnk n ARG 57 Cb 0.07 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 2pnk n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2pnk n TRP 58 N 0.00 0.00 -2.69 -1.55 7.02 -1.25 -5.08 117.44 113.88 2pnk n TRP 58 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.12 2pnk n TRP 58 Cb 0.00 -0.25 -0.06 0.00 -2.42 0.00 0.00 31.31 28.59 2pnk n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2pnk s THR 59 N -2.13 4.04 -0.15 -0.99 -1.32 -0.03 -4.95 115.64 110.12 2pnk s THR 59 Ca -0.08 1.60 0.23 0.00 -1.21 0.00 0.00 61.69 62.23 2pnk s THR 59 Cb 0.02 -3.84 0.25 0.00 -1.51 0.00 0.00 72.50 67.42 2pnk s THR 59 CO 0.15 0.04 1.68 0.44 -2.21 0.00 0.00 174.62 174.73 2pnk h ASP 60 N 2.79 0.00 -3.18 8.08 3.32 -1.98 -3.46 116.42 122.00 2pnk h ASP 60 Ca -0.48 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 2pnk h ASP 60 Cb 1.20 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.80 2pnk h ASP 60 CO 0.64 0.18 0.78 -0.69 -1.72 0.00 0.00 179.24 178.42 2pnk s VAL 61 N -3.32 2.77 0.59 -1.35 1.01 -1.26 -4.98 120.40 113.85 2pnk s VAL 61 Ca 0.04 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 2pnk s VAL 61 Cb 0.07 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2pnk s VAL 61 CO 0.66 0.08 1.14 -0.94 0.00 0.00 0.00 175.10 176.04 2pnk s SER 62 N 0.67 5.39 0.41 3.32 1.04 -1.26 -4.83 113.70 118.44 2pnk s SER 62 Ca 0.63 2.17 0.09 0.00 0.48 0.00 0.00 55.95 59.32 2pnk s SER 62 Cb -0.41 -2.58 0.89 0.00 0.10 0.00 0.00 66.02 64.02 2pnk s SER 62 CO 0.38 -1.44 2.00 -0.29 0.98 0.00 0.00 173.24 174.87 2pnk h ILE 63 N 0.76 1.01 -0.17 -1.02 6.09 -1.97 0.78 117.51 122.99 2pnk h ILE 63 Ca -0.49 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 62.78 2pnk h ILE 63 Cb 1.27 0.40 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 2pnk h ILE 63 CO 0.55 0.10 0.00 -0.33 -3.07 0.00 0.00 178.15 175.41 2pnk h GLU 64 N 0.56 0.30 -0.96 2.19 3.07 -1.94 -1.75 114.58 116.04 2pnk h GLU 64 Ca 0.24 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 2pnk h GLU 64 Cb 0.25 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.08 2pnk h GLU 64 CO -0.07 0.51 0.63 0.00 -1.40 0.00 0.00 179.01 178.68 2pnk h ALA 65 N 0.77 1.24 0.11 3.43 0.00 -1.77 -2.05 119.26 121.00 2pnk h ALA 65 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pnk h ALA 65 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pnk h ALA 65 CO 0.01 0.56 -0.10 0.35 0.00 0.00 0.00 179.25 180.07 2pnk h PHE 66 N 1.26 -0.25 0.00 0.00 3.57 -0.54 -1.79 116.94 119.19 2pnk h PHE 66 Ca 0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2pnk h PHE 66 Cb -0.08 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2pnk h PHE 66 CO -0.01 -0.15 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.41 2pnk h TRP 67 N -0.22 0.00 0.00 0.41 -0.00 -1.18 -3.45 115.95 111.51 2pnk h TRP 67 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.65 2pnk h TRP 67 Cb 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.31 2pnk h TRP 67 CO -0.11 0.03 0.16 0.00 -0.00 0.00 0.00 178.44 178.52 2pnk n ALA 68 N -2.12 6.34 -2.48 1.49 0.00 -0.67 -5.07 120.51 118.00 2pnk n ALA 68 Ca -0.00 -1.97 -0.20 0.00 0.00 0.00 0.00 53.44 51.26 2pnk n ALA 68 Cb 0.26 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 2pnk n ALA 68 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pnk s SER 70 N 2.06 5.59 0.20 0.00 1.04 -1.26 -5.08 113.70 116.26 2pnk s SER 70 Ca 0.65 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.62 2pnk s SER 70 Cb 0.29 -1.08 0.21 0.00 0.10 0.00 0.00 66.02 65.54 2pnk s SER 70 CO -0.01 -0.40 1.82 0.50 0.98 0.00 0.00 173.24 176.13 2pnk h LYS 71 N 1.08 0.70 -0.78 4.02 1.63 -1.97 0.12 116.57 121.37 2pnk h LYS 71 Ca -0.45 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.26 2pnk h LYS 71 Cb 1.26 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.69 2pnk h LYS 71 CO 0.56 0.46 0.29 -0.09 -3.45 0.00 0.00 179.45 177.22 2pnk h ARG 72 N 0.72 1.18 -0.34 1.90 9.65 -1.99 -0.82 114.38 124.68 2pnk h ARG 72 Ca 0.28 -0.22 -0.17 0.00 -1.10 0.00 0.00 59.98 58.77 2pnk h ARG 72 Cb 0.12 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2pnk h ARG 72 CO -0.15 0.96 -0.46 0.93 2.80 0.00 0.00 179.97 184.05 2pnk h GLU 73 N 1.14 0.91 -0.36 0.20 5.08 -1.82 -0.43 114.58 119.29 2pnk h GLU 73 Ca 0.26 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2pnk h GLU 73 Cb 0.24 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2pnk h GLU 73 CO -0.02 1.17 0.23 1.96 -1.00 0.00 0.00 179.01 181.36 2pnk h GLN 74 N 0.71 0.48 -0.40 2.33 4.20 -0.76 -1.14 115.11 120.54 2pnk h GLN 74 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2pnk h GLN 74 Cb 1.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2pnk h GLN 74 CO 0.11 0.33 0.23 0.00 -0.67 0.00 0.00 178.83 178.83 2pnk h ALA 75 N 1.12 0.51 -0.61 3.87 0.00 -1.09 -0.82 119.26 122.24 2pnk h ALA 75 Ca 0.13 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2pnk h ALA 75 Cb -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 2pnk h ALA 75 CO -0.03 0.02 0.26 -0.44 0.00 0.00 0.00 179.25 179.07 2pnk h ASP 76 N 0.52 0.30 -0.20 0.00 3.32 -0.90 -0.53 116.42 118.93 2pnk h ASP 76 Ca 0.14 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2pnk h ASP 76 Cb 0.04 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2pnk h ASP 76 CO -0.02 0.18 0.03 0.25 -1.72 0.00 0.00 179.24 177.96 2pnk h LEU 77 N 0.47 0.31 -0.77 1.55 5.85 -0.78 -1.61 115.31 120.32 2pnk h LEU 77 Ca 0.30 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2pnk h LEU 77 Cb 0.34 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2pnk h LEU 77 CO -0.27 0.50 0.47 0.40 -0.34 0.00 0.00 178.44 179.20 2pnk h ILE 78 N 0.11 1.22 -0.00 4.05 2.04 -0.90 -0.23 117.51 123.80 2pnk h ILE 78 Ca 0.06 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2pnk h ILE 78 Cb 0.32 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2pnk h ILE 78 CO 0.00 0.22 -0.02 -0.25 0.00 0.00 0.00 178.15 178.11 2pnk h TRP 79 N 1.06 -0.04 -0.14 1.37 2.91 -1.03 0.43 115.95 120.50 2pnk h TRP 79 Ca 0.28 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.30 2pnk h TRP 79 Cb -0.05 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 2pnk h TRP 79 CO -0.01 -0.03 0.08 1.49 -1.03 0.00 0.00 178.44 178.94 2pnk h GLU 80 N -0.03 0.20 -0.10 2.65 4.57 -0.91 -1.70 114.58 119.25 2pnk h GLU 80 Ca 0.01 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.94 2pnk h GLU 80 Cb 0.04 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2pnk h GLU 80 CO -0.02 0.22 -0.83 0.93 -1.18 0.00 0.00 179.01 178.13 2pnk h GLU 81 N 0.13 0.66 0.00 1.92 4.39 -1.00 0.40 114.58 121.08 2pnk h GLU 81 Ca 0.05 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2pnk h GLU 81 Cb 0.08 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2pnk h GLU 81 CO -0.01 1.20 -1.52 1.28 -1.16 0.00 0.00 179.01 178.80 2pnk n LEU 82 N -3.88 0.42 -0.02 1.33 4.77 0.14 -3.90 117.00 115.85 2pnk n LEU 82 Ca -0.07 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.66 2pnk n LEU 82 Cb 0.77 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 2pnk n LEU 82 CO 0.52 0.10 -0.65 0.49 -1.33 0.00 0.00 177.39 176.52 2pnk n PHE 83 N -1.90 0.00 -0.09 -1.77 3.01 -0.67 -3.46 117.46 112.58 2pnk n PHE 83 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 2pnk n PHE 83 Cb 0.45 -0.19 -0.12 0.00 -0.01 0.00 0.00 39.48 39.61 2pnk n PHE 83 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pnk n ILE 84 N -2.59 1.57 0.17 4.37 2.08 -1.02 -4.37 119.36 119.58 2pnk n ILE 84 Ca -0.08 -0.19 0.07 0.00 0.56 0.00 0.00 62.75 63.10 2pnk n ILE 84 Cb 0.59 -1.95 0.09 0.00 -0.75 0.00 0.00 39.64 37.62 2pnk n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2pnk h LYS 85 N -0.81 0.00 -3.95 0.38 1.57 -1.11 -3.44 116.57 109.21 2pnk h LYS 85 Ca -0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 2pnk h LYS 85 Cb 1.48 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.62 2pnk h LYS 85 CO -0.19 0.26 -0.57 1.03 -0.57 0.00 0.00 179.45 179.41 2pnk s ARG 86 N -3.08 0.59 0.30 3.15 3.00 -1.25 -5.05 118.95 116.61 2pnk s ARG 86 Ca 0.05 -0.90 -0.29 0.00 0.00 0.00 0.00 55.73 54.59 2pnk s ARG 86 Cb 0.06 0.22 -0.10 0.00 0.00 0.00 0.00 34.95 35.14 2pnk s ARG 86 CO 0.71 -0.14 1.18 -1.12 0.00 0.00 0.00 175.30 175.93 2pnk s SER 87 N -2.38 7.07 -1.47 0.23 0.01 -1.26 -3.33 113.70 112.57 2pnk s SER 87 Ca -0.01 2.44 -0.09 0.00 1.31 0.00 0.00 55.95 59.59 2pnk s SER 87 Cb 0.01 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.63 2pnk s SER 87 CO -0.07 -0.30 2.53 -0.81 0.41 0.00 0.00 173.24 175.01 2pnk n PRO 88 N 1.03 3.80 0.00 12.44 -0.04 -1.22 -4.61 135.00 146.39 2pnk n PRO 88 Ca -0.01 -2.80 0.12 0.00 -0.04 0.00 0.00 63.50 60.77 2pnk n PRO 88 Cb 0.44 -2.85 0.24 0.00 -0.04 0.00 0.00 33.50 31.28 2pnk n PRO 88 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2pnk n VAL 89 N 3.29 0.00 -1.39 0.52 0.24 -1.26 -3.13 118.33 116.60 2pnk n VAL 89 Ca 0.64 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.62 2pnk n VAL 89 Cb 0.28 0.26 0.08 0.00 -1.47 0.00 0.00 33.84 33.00 2pnk n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pnk s SER 90 N -3.01 4.51 0.20 -1.34 1.04 -1.26 -4.79 113.70 109.05 2pnk s SER 90 Ca 0.11 1.98 -0.10 0.00 0.48 0.00 0.00 55.95 58.42 2pnk s SER 90 Cb 0.17 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.93 2pnk s SER 90 CO 0.70 -2.03 1.84 -0.08 0.98 0.00 0.00 173.24 174.65 2pnk h GLU 91 N -0.71 0.81 -0.67 4.02 4.57 -1.97 0.22 114.58 120.84 2pnk h GLU 91 Ca -0.45 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.63 2pnk h GLU 91 Cb 1.25 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 2pnk h GLU 91 CO 0.51 0.53 0.21 0.00 -1.18 0.00 0.00 179.01 179.08 2pnk h ALA 92 N 1.29 0.88 -0.17 2.92 0.00 -1.95 -1.56 119.26 120.68 2pnk h ALA 92 Ca 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2pnk h ALA 92 Cb 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2pnk h ALA 92 CO -0.11 0.56 -0.24 0.00 0.00 0.00 0.00 179.25 179.47 2pnk h ARG 94 N 0.09 0.61 -0.85 0.00 2.43 -0.91 -1.58 114.38 114.18 2pnk h ARG 94 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pnk h ARG 94 Cb 0.80 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2pnk h ARG 94 CO 0.05 0.41 0.52 0.78 -1.51 0.00 0.00 179.97 180.22 2pnk h GLY 95 N 0.63 1.22 1.18 2.80 0.00 -1.10 -0.81 103.07 107.00 2pnk h GLY 95 Ca 0.47 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2pnk h GLY 95 CO -0.36 0.48 0.35 -2.08 0.00 0.00 0.00 176.54 174.93 2pnk h VAL 96 N 1.17 1.23 -0.33 4.60 2.07 -1.07 -1.83 116.25 122.09 2pnk h VAL 96 Ca 0.31 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2pnk h VAL 96 Cb -0.07 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2pnk h VAL 96 CO -0.06 0.28 -0.13 -0.07 0.02 0.00 0.00 177.57 177.61 2pnk h LEU 97 N 1.05 0.70 -1.03 2.57 3.38 -1.00 -2.34 115.31 118.64 2pnk h LEU 97 Ca 0.26 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.93 2pnk h LEU 97 Cb 0.11 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2pnk h LEU 97 CO -0.03 0.93 0.63 0.74 0.09 0.00 0.00 178.44 180.80 2pnk h THR 98 N 0.46 0.98 0.23 0.22 2.02 -0.86 -0.28 112.91 115.68 2pnk h THR 98 Ca 0.08 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2pnk h THR 98 Cb 0.66 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2pnk h THR 98 CO 0.04 0.19 -0.11 0.00 0.37 0.00 0.00 175.52 176.01 2pnk h LEU 100 N -0.52 -0.22 -0.31 0.00 3.38 -1.13 -1.52 115.31 114.98 2pnk h LEU 100 Ca -0.03 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2pnk h LEU 100 Cb 0.39 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2pnk h LEU 100 CO 0.05 -0.07 0.05 -0.61 0.09 0.00 0.00 178.44 177.95 2pnk h GLN 101 N 0.05 0.16 -0.78 1.13 4.15 -0.97 0.02 115.11 118.87 2pnk h GLN 101 Ca 0.17 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.68 2pnk h GLN 101 Cb 0.24 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 2pnk h GLN 101 CO -0.32 0.10 0.51 0.78 -1.93 0.00 0.00 178.83 177.98 2pnk h GLY 102 N 0.16 0.98 0.92 2.39 0.00 -0.27 0.40 103.07 107.65 2pnk h GLY 102 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2pnk h GLY 102 CO -0.20 0.15 -0.00 1.04 0.00 0.00 0.00 176.54 177.52 2pnk n LEU 103 N -4.50 0.16 0.00 3.11 4.77 -0.64 -4.87 117.00 115.02 2pnk n LEU 103 Ca 0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2pnk n LEU 103 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2pnk n LEU 103 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2pnk n GLY 104 N 1.06 0.59 3.90 -0.72 0.00 0.13 -5.06 105.19 105.08 2pnk n GLY 104 Ca 0.22 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2pnk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnk s LEU 105 N 0.00 3.70 -0.42 0.99 1.43 -0.03 -5.00 118.68 119.34 2pnk s LEU 105 Ca 0.00 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.04 2pnk s LEU 105 Cb 0.00 -3.93 0.10 0.00 0.03 0.00 0.00 46.19 42.40 2pnk s LEU 105 CO 0.00 -0.52 0.24 -0.62 0.23 0.00 0.00 176.35 175.68 2pnk s ASP 106 N -3.78 5.42 0.61 2.29 2.15 -1.26 -3.66 116.67 118.44 2pnk s ASP 106 Ca 0.49 -1.85 0.31 0.00 0.43 0.00 0.00 52.55 51.93 2pnk s ASP 106 Cb -0.10 -1.90 1.81 0.00 -0.30 0.00 0.00 42.92 42.43 2pnk s ASP 106 CO 0.40 -0.56 2.16 -0.65 -0.17 0.00 0.00 175.17 176.35 2pnk h PRO 107 N 8.22 0.00 -0.39 4.34 0.11 -1.89 -2.51 132.00 139.87 2pnk h PRO 107 Ca -0.18 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.99 2pnk h PRO 107 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2pnk h PRO 107 CO 0.74 0.00 0.27 0.00 -0.21 0.00 0.00 178.00 178.80 2pnk h ALA 108 N 1.82 1.97 0.00 -0.75 0.00 -2.01 -1.99 119.26 118.31 2pnk h ALA 108 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pnk h ALA 108 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pnk h ALA 108 CO -0.00 -0.04 0.00 1.79 0.00 0.00 0.00 179.25 181.00 2pnk h THR 109 N 0.31 0.00 -3.43 0.00 1.35 -1.89 -3.46 112.91 105.80 2pnk h THR 109 Ca 0.17 -0.72 -0.28 0.00 -0.55 0.00 0.00 66.41 65.03 2pnk h THR 109 Cb 0.28 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 2pnk h THR 109 CO -0.04 0.00 -0.35 0.54 -0.25 0.00 0.00 175.52 175.43 2pnk n ARG 110 N -2.70 -2.04 -3.14 4.72 1.74 -0.75 -4.87 116.66 109.62 2pnk n ARG 110 Ca 0.04 0.69 -0.45 0.00 -0.77 0.00 0.00 57.85 57.37 2pnk n ARG 110 Cb 0.46 -5.26 -0.01 0.00 -1.02 0.00 0.00 32.46 26.63 2pnk n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnk s ASP 111 N -2.05 7.01 0.27 0.55 -1.08 -1.26 -4.87 116.67 115.25 2pnk s ASP 111 Ca 0.00 -2.95 -0.03 0.00 -0.52 0.00 0.00 52.55 49.05 2pnk s ASP 111 Cb 0.00 -2.30 0.36 0.00 -1.46 0.00 0.00 42.92 39.52 2pnk s ASP 111 CO 0.00 -0.62 1.88 0.25 0.52 0.00 0.00 175.17 177.20 2pnk h LEU 112 N 8.49 0.94 -0.62 -1.34 5.85 -1.98 -1.41 115.31 125.24 2pnk h LEU 112 Ca 0.20 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2pnk h LEU 112 Cb 0.93 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2pnk h LEU 112 CO 1.05 0.78 0.28 -0.61 -0.34 0.00 0.00 178.44 179.60 2pnk h GLN 113 N 1.04 0.91 -0.36 1.25 5.75 -2.00 -1.11 115.11 120.59 2pnk h GLN 113 Ca 0.26 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 2pnk h GLN 113 Cb 0.08 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2pnk h GLN 113 CO -0.04 0.74 -0.12 0.28 -2.65 0.00 0.00 178.83 177.05 2pnk h VAL 114 N 0.86 1.25 -0.81 2.39 2.07 -1.82 -2.45 116.25 117.74 2pnk h VAL 114 Ca 0.21 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2pnk h VAL 114 Cb 0.15 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2pnk h VAL 114 CO -0.02 0.37 0.53 1.88 0.02 0.00 0.00 177.57 180.34 2pnk h TYR 115 N 0.58 1.03 -0.33 1.57 0.05 -0.75 -2.54 116.97 116.59 2pnk h TYR 115 Ca 0.10 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 2pnk h TYR 115 Cb 0.54 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 2pnk h TYR 115 CO 0.02 0.66 -0.09 0.00 -1.05 0.00 0.00 178.16 177.70 2pnk h ARG 116 N 1.10 0.55 -0.41 4.88 3.08 -0.90 -2.53 114.38 120.15 2pnk h ARG 116 Ca 0.30 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.22 2pnk h ARG 116 Cb -0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2pnk h ARG 116 CO -0.06 0.64 0.27 0.93 -1.07 0.00 0.00 179.97 180.68 2pnk h GLU 117 N 0.51 0.46 -0.65 0.04 5.08 -1.01 -2.38 114.58 116.63 2pnk h GLU 117 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2pnk h GLU 117 Cb 0.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2pnk h GLU 117 CO 0.03 0.30 0.39 -0.92 -1.00 0.00 0.00 179.01 177.81 2pnk h TYR 118 N 0.47 0.86 0.04 4.33 5.03 -1.38 -3.07 116.97 123.25 2pnk h TYR 118 Ca 0.16 -0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.24 2pnk h TYR 118 Cb 0.07 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 2pnk h TYR 118 CO -0.00 0.58 -1.02 0.74 -1.32 0.00 0.00 178.16 177.14 2pnk h PHE 119 N 0.88 0.30 -0.10 -3.82 0.04 -1.53 -3.12 116.94 109.60 2pnk h PHE 119 Ca 0.23 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.84 2pnk h PHE 119 Cb -0.02 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 2pnk h PHE 119 CO -0.02 1.08 0.14 0.00 -0.60 0.00 0.00 178.31 178.91 2pnk h ALA 120 N 0.85 1.56 -0.00 2.45 0.00 -1.36 -2.55 119.26 120.21 2pnk h ALA 120 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pnk h ALA 120 Cb 1.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2pnk h ALA 120 CO 0.16 -0.19 -0.12 1.63 0.00 0.00 0.00 179.25 180.72 2pnk n LYS 121 N -3.60 0.28 -4.43 0.00 5.02 -1.18 -4.95 118.16 109.32 2pnk n LYS 121 Ca -0.00 -0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 55.95 2pnk n LYS 121 Cb 0.24 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.63 2pnk n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pnk s LYS 122 N -2.77 1.52 0.43 1.97 1.02 -0.96 -5.14 119.74 115.82 2pnk s LYS 122 Ca 0.20 -1.54 -0.03 0.00 0.02 0.00 0.00 55.97 54.62 2pnk s LYS 122 Cb 0.19 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2pnk s LYS 122 CO 0.53 0.39 0.70 0.95 -0.92 0.00 0.00 175.35 177.00 2pnk s THR 123 N -1.75 4.98 0.22 2.17 -4.23 -1.26 -4.96 115.64 110.81 2pnk s THR 123 Ca 0.21 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 2pnk s THR 123 Cb -0.08 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 70.12 2pnk s THR 123 CO 0.10 -0.74 1.66 0.28 -0.54 0.00 0.00 174.62 175.38 2pnk h SER 124 N 0.44 -0.27 -0.49 3.99 0.02 -1.97 -1.30 113.55 113.96 2pnk h SER 124 Ca -0.48 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2pnk h SER 124 Cb 1.21 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 2pnk h SER 124 CO 0.62 -0.12 0.14 -0.33 -1.14 0.00 0.00 176.83 176.00 2pnk h GLU 125 N 0.12 0.77 -0.84 3.45 3.07 -1.94 0.13 114.58 119.34 2pnk h GLU 125 Ca 0.34 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 2pnk h GLU 125 Cb 0.56 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 2pnk h GLU 125 CO -0.55 0.73 0.43 0.93 -1.40 0.00 0.00 179.01 179.15 2pnk h GLU 126 N 0.66 1.19 -0.13 2.33 5.08 -1.82 -1.70 114.58 120.19 2pnk h GLU 126 Ca 0.16 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2pnk h GLU 126 Cb 0.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2pnk h GLU 126 CO -0.00 0.90 -0.63 0.37 -1.00 0.00 0.00 179.01 178.64 2pnk h GLN 127 N 1.19 0.47 -0.41 2.33 5.75 -0.66 -1.15 115.11 122.63 2pnk h GLN 127 Ca 0.29 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2pnk h GLN 127 Cb 0.08 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2pnk h GLN 127 CO -0.04 0.95 0.24 0.28 -2.65 0.00 0.00 178.83 177.61 2pnk h VAL 128 N 0.35 1.14 -0.31 2.39 2.07 -0.84 0.66 116.25 121.71 2pnk h VAL 128 Ca -0.01 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2pnk h VAL 128 Cb 1.19 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2pnk h VAL 128 CO 0.11 0.15 0.05 0.44 0.02 0.00 0.00 177.57 178.35 2pnk h ASP 129 N 0.54 -0.00 -0.12 0.57 3.32 -1.19 -0.67 116.42 118.86 2pnk h ASP 129 Ca 0.15 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2pnk h ASP 129 Cb 0.03 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2pnk h ASP 129 CO -0.03 0.03 0.06 0.74 -1.72 0.00 0.00 179.24 178.32 2pnk h THR 130 N 0.16 1.13 -0.22 0.35 2.02 -1.01 -2.64 112.91 112.70 2pnk h THR 130 Ca 0.15 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 2pnk h THR 130 Cb 0.16 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2pnk h THR 130 CO -0.20 0.12 -0.12 0.58 0.37 0.00 0.00 175.52 176.27 2pnk h VAL 131 N 0.06 1.31 -0.90 3.16 2.07 -0.75 -1.22 116.25 119.98 2pnk h VAL 131 Ca 0.04 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.38 2pnk h VAL 131 Cb 0.14 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 2pnk h VAL 131 CO -0.00 0.37 0.59 -0.07 0.02 0.00 0.00 177.57 178.47 2pnk h LEU 132 N 0.18 1.01 -0.28 2.57 3.38 -1.16 0.24 115.31 121.25 2pnk h LEU 132 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2pnk h LEU 132 Cb 0.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2pnk h LEU 132 CO 0.03 0.72 0.05 -0.61 0.09 0.00 0.00 178.44 178.73 2pnk h GLN 133 N 1.19 0.45 -0.38 1.13 4.15 -1.37 0.20 115.11 120.49 2pnk h GLN 133 Ca 0.34 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 2pnk h GLN 133 Cb -0.10 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2pnk h GLN 133 CO -0.08 0.56 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.21 2pnk h LEU 134 N 0.28 0.63 0.00 -2.39 3.38 -0.70 -2.54 115.31 113.97 2pnk h LEU 134 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pnk h LEU 134 Cb 0.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 134 CO 0.00 0.76 -0.22 0.00 0.09 0.00 0.00 178.44 179.08 2pnk n ALA 135 N -2.48 2.63 -3.50 1.53 0.00 0.79 -4.97 120.51 114.51 2pnk n ALA 135 Ca 0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 2pnk n ALA 135 Cb 0.33 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.49 2pnk n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pnk n ASN 136 N -1.89 -3.61 -4.18 0.00 5.15 -0.01 -4.86 115.26 105.86 2pnk n ASN 136 Ca 0.05 -0.77 -0.34 0.00 -0.60 0.00 0.00 54.58 52.93 2pnk n ASN 136 Cb 0.39 -4.54 -0.15 0.00 -0.53 0.00 0.00 39.78 34.95 2pnk n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pnk s VAL 137 N -3.48 2.57 -0.04 3.44 1.01 -0.79 -0.70 120.40 122.40 2pnk s VAL 137 Ca 0.21 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.40 2pnk s VAL 137 Cb -0.04 -2.18 -0.23 0.00 0.00 0.00 0.00 36.38 33.92 2pnk s VAL 137 CO 0.78 0.41 0.66 0.77 0.00 0.00 0.00 175.10 177.72 2pnk h SER 138 N 7.99 0.06 -3.55 3.32 4.64 -1.41 -3.44 113.55 121.16 2pnk h SER 138 Ca -0.40 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 60.56 2pnk h SER 138 Cb 1.13 -0.02 -0.30 0.00 -0.31 0.00 0.00 62.40 62.91 2pnk h SER 138 CO 0.61 1.12 -0.56 -1.81 -0.87 0.00 0.00 176.83 175.31 2pnk s ASP 139 N -6.26 -0.14 -0.10 4.97 1.01 -1.16 -4.71 116.67 110.28 2pnk s ASP 139 Ca -0.07 0.33 0.04 0.00 0.71 0.00 0.00 52.55 53.56 2pnk s ASP 139 Cb 0.08 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.27 2pnk s ASP 139 CO 0.82 -0.11 -0.22 -0.69 0.21 0.00 0.00 175.17 175.17 2pnk s VAL 140 N 0.77 1.92 0.61 -1.27 1.01 -0.23 -0.74 120.40 122.48 2pnk s VAL 140 Ca -0.06 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.07 2pnk s VAL 140 Cb -0.07 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.74 2pnk s VAL 140 CO -0.04 0.53 0.84 -0.69 0.00 0.00 0.00 175.10 175.74 2pnk s VAL 141 N 0.41 2.08 -0.22 2.92 1.01 0.30 -0.72 120.40 126.17 2pnk s VAL 141 Ca -0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2pnk s VAL 141 Cb -0.18 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.14 2pnk s VAL 141 CO 0.08 0.00 0.04 -0.89 0.00 0.00 0.00 175.10 174.33 2pnk s THR 143 N -2.77 0.63 -0.29 3.92 2.01 -0.92 -1.93 115.64 116.30 2pnk s THR 143 Ca 0.63 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 2pnk s THR 143 Cb -0.05 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.28 2pnk s THR 143 CO 0.40 -0.31 0.06 0.20 -0.69 0.00 0.00 174.62 174.28 2pnk s ASN 144 N 1.80 5.00 -0.39 3.53 -0.87 0.15 -4.95 114.94 119.20 2pnk s ASN 144 Ca 0.01 -0.77 -0.06 0.00 -1.57 0.00 0.00 52.86 50.47 2pnk s ASN 144 Cb -0.17 -1.84 0.08 0.00 -0.02 0.00 0.00 41.25 39.29 2pnk s ASN 144 CO -0.12 -0.19 0.19 -0.62 -2.57 0.00 0.00 177.10 173.79 2pnk s ASP 145 N 1.46 5.39 0.00 -1.22 -1.08 -1.26 -0.92 116.67 119.04 2pnk s ASP 145 Ca 0.02 -1.55 0.16 0.00 -0.52 0.00 0.00 52.55 50.65 2pnk s ASP 145 Cb -0.17 -1.89 0.75 0.00 -1.46 0.00 0.00 42.92 40.15 2pnk s ASP 145 CO 0.01 -0.47 1.48 -0.81 0.52 0.00 0.00 175.17 175.90 2pnk n PRO 146 N 4.78 0.14 0.03 4.34 -0.04 -1.26 -1.71 135.00 141.28 2pnk n PRO 146 Ca -0.09 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2pnk n PRO 146 Cb 0.43 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.63 2pnk n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pnk n PHE 147 N -1.37 0.28 -2.69 0.54 3.72 -1.26 -4.61 117.46 112.07 2pnk n PHE 147 Ca 0.06 0.08 -0.43 0.00 -0.05 0.00 0.00 57.45 57.11 2pnk n PHE 147 Cb 0.15 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.19 2pnk n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pnk s ASP 148 N -3.61 7.01 0.18 4.37 -1.08 -0.69 -4.94 116.67 117.90 2pnk s ASP 148 Ca 0.09 1.23 -0.13 0.00 -0.52 0.00 0.00 52.55 53.22 2pnk s ASP 148 Cb 0.16 -2.52 0.17 0.00 -1.46 0.00 0.00 42.92 39.26 2pnk s ASP 148 CO 0.70 -0.70 1.75 0.44 0.52 0.00 0.00 175.17 177.87 2pnk h ASP 149 N 7.66 0.16 -0.49 -0.34 3.32 -1.87 0.33 116.42 125.20 2pnk h ASP 149 Ca -0.20 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2pnk h ASP 149 Cb 1.07 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2pnk h ASP 149 CO 0.98 0.12 0.16 0.78 -1.72 0.00 0.00 179.24 179.55 2pnk h ASN 150 N 0.34 0.70 -0.26 6.45 2.35 -1.95 -2.59 115.58 120.62 2pnk h ASN 150 Ca 0.24 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 2pnk h ASN 150 Cb 0.25 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2pnk h ASN 150 CO -0.25 0.72 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.85 2pnk h GLU 151 N 0.65 0.51 -0.84 0.81 5.08 -1.75 -3.26 114.58 115.78 2pnk h GLU 151 Ca 0.16 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2pnk h GLU 151 Cb 0.26 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2pnk h GLU 151 CO -0.01 0.73 0.54 -0.09 -1.00 0.00 0.00 179.01 179.18 2pnk h ARG 152 N 0.26 1.11 -0.40 2.33 2.43 -0.22 -2.72 114.38 117.17 2pnk h ARG 152 Ca 0.07 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2pnk h ARG 152 Cb 0.54 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2pnk h ARG 152 CO 0.03 0.75 -0.17 0.82 -1.51 0.00 0.00 179.97 179.89 2pnk h ILE 153 N 1.14 1.26 -0.64 1.20 1.08 -1.50 -1.24 117.51 118.82 2pnk h ILE 153 Ca 0.31 -1.25 -0.07 0.00 -0.39 0.00 0.00 64.86 63.46 2pnk h ILE 153 Cb -0.11 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2pnk h ILE 153 CO -0.06 0.42 0.14 0.28 -0.69 0.00 0.00 178.15 178.24 2pnk h SER 154 N 0.68 0.98 -0.40 1.72 0.02 -1.56 0.15 113.55 115.14 2pnk h SER 154 Ca 0.10 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2pnk h SER 154 Cb 0.66 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2pnk h SER 154 CO 0.05 0.97 0.16 -0.50 -1.14 0.00 0.00 176.83 176.36 2pnk h TRP 155 N 0.95 0.60 -0.19 3.45 4.06 -1.46 -2.11 115.95 121.26 2pnk h TRP 155 Ca 0.20 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 61.03 2pnk h TRP 155 Cb 0.38 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2pnk h TRP 155 CO 0.03 0.53 -0.22 -0.07 -3.56 0.00 0.00 178.44 175.15 2pnk h LEU 156 N 0.50 0.32 -0.91 -4.49 3.38 -0.88 -2.46 115.31 110.76 2pnk h LEU 156 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pnk h LEU 156 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pnk h LEU 156 CO -0.01 0.56 0.00 -0.33 0.09 0.00 0.00 178.44 178.75 2pnk h GLU 157 N 0.30 0.00 0.00 1.13 5.08 -0.76 -3.47 114.58 116.86 2pnk h GLU 157 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2pnk h GLU 157 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2pnk h GLU 157 CO 0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 2pnk n GLY 158 N 0.27 0.96 3.70 -3.84 0.00 -0.93 -5.08 105.19 100.27 2pnk n GLY 158 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2pnk n GLY 158 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pnk s LYS 159 N -0.38 4.18 0.15 1.61 2.20 -0.82 -5.01 119.74 121.67 2pnk s LYS 159 Ca 0.00 2.42 0.10 0.00 -0.36 0.00 0.00 55.97 58.13 2pnk s LYS 159 Cb 0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2pnk s LYS 159 CO 0.00 -0.74 -0.18 -0.65 -0.36 0.00 0.00 175.35 173.42 2pnk s GLN 160 N 2.30 1.77 0.64 4.03 -1.52 -1.26 -4.51 119.66 121.11 2pnk s GLN 160 Ca 0.75 -1.30 -0.15 0.00 -1.95 0.00 0.00 55.36 52.71 2pnk s GLN 160 Cb -0.43 -2.05 -0.01 0.00 -0.22 0.00 0.00 33.01 30.30 2pnk s GLN 160 CO 0.33 0.45 1.10 -1.25 -0.25 0.00 0.00 175.29 175.66 2pnk s PRO 161 N -2.45 2.96 0.96 2.91 0.04 -1.26 -4.96 135.00 133.21 2pnk s PRO 161 Ca 0.20 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 2pnk s PRO 161 Cb -0.09 -1.97 0.17 0.00 0.04 0.00 0.00 34.50 32.64 2pnk s PRO 161 CO 0.11 -1.12 1.09 0.16 0.04 0.00 0.00 177.00 177.28 2pnk s ASP 162 N -2.60 2.86 0.00 6.66 1.47 -1.26 -4.89 116.67 118.91 2pnk s ASP 162 Ca 0.66 1.40 0.18 0.00 1.18 0.00 0.00 52.55 55.98 2pnk s ASP 162 Cb -0.19 -2.08 0.78 0.00 -0.34 0.00 0.00 42.92 41.09 2pnk s ASP 162 CO 0.40 -3.01 1.58 -1.54 0.68 0.00 0.00 175.17 173.27 2pnk n SER 163 N -4.12 0.00 0.11 2.11 3.41 -1.26 -1.43 113.62 112.45 2pnk n SER 163 Ca 0.06 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2pnk n SER 163 Cb 0.56 -0.49 0.28 0.00 -0.26 0.00 0.00 64.21 64.29 2pnk n SER 163 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2pnk h ARG 164 N 0.00 0.00 -5.53 4.33 3.08 -1.90 -3.41 114.38 110.94 2pnk h ARG 164 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2pnk h ARG 164 Cb 0.31 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.13 2pnk h ARG 164 CO 0.00 0.00 -0.70 -0.06 -1.07 0.00 0.00 179.97 178.14 2pnk s PHE 165 N -3.15 2.93 0.06 3.04 0.40 -0.51 -1.07 117.98 119.68 2pnk s PHE 165 Ca 0.08 -0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.19 2pnk s PHE 165 Cb 0.11 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2pnk s PHE 165 CO 0.65 0.01 -0.26 -1.01 0.70 0.00 0.00 175.22 175.32 2pnk s HIS 166 N 0.05 2.35 0.29 0.36 3.76 0.10 -4.65 115.29 117.54 2pnk s HIS 166 Ca -0.02 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.31 2pnk s HIS 166 Cb -0.14 -1.38 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 2pnk s HIS 166 CO 0.03 0.18 0.79 0.00 -0.85 0.00 0.00 174.74 174.89 2pnk s ALA 167 N -0.86 3.31 -0.02 -1.40 0.00 -1.26 -4.41 121.76 117.12 2pnk s ALA 167 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2pnk s ALA 167 Cb -0.10 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.14 2pnk s ALA 167 CO 0.03 0.28 0.01 0.00 0.00 0.00 0.00 175.76 176.08 2pnk s ALA 168 N -1.77 0.17 -0.45 0.00 0.00 -1.26 -0.88 121.76 117.57 2pnk s ALA 168 Ca 0.50 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 2pnk s ALA 168 Cb -0.14 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2pnk s ALA 168 CO 0.19 -0.05 0.58 -1.17 0.00 0.00 0.00 175.76 175.31 2pnk s LEU 169 N 0.72 4.72 -0.03 0.00 2.96 -0.78 -0.68 118.68 125.58 2pnk s LEU 169 Ca -0.06 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.05 2pnk s LEU 169 Cb -0.09 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 2pnk s LEU 169 CO -0.02 -0.76 0.65 -0.60 -1.32 0.00 0.00 176.35 174.31 2pnk s ARG 170 N 2.59 4.40 -0.01 1.98 3.52 -0.10 -1.18 118.95 130.16 2pnk s ARG 170 Ca 0.18 0.82 0.01 0.00 -0.13 0.00 0.00 55.73 56.60 2pnk s ARG 170 Cb -0.16 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2pnk s ARG 170 CO 0.16 0.21 0.95 1.28 -0.81 0.00 0.00 175.30 177.08 2pnk n LEU 171 N 3.28 1.79 -0.23 -0.88 4.77 -0.09 -4.41 117.00 121.23 2pnk n LEU 171 Ca -0.04 -1.82 0.02 0.00 -0.03 0.00 0.00 56.01 54.14 2pnk n LEU 171 Cb 0.51 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.69 2pnk n LEU 171 CO 0.46 0.45 0.80 0.44 -1.33 0.00 0.00 177.39 178.21 2pnk h ASP 172 N 0.00 -0.41 0.04 -1.43 5.19 -1.91 -1.53 116.42 116.36 2pnk h ASP 172 Ca 0.00 0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 2pnk h ASP 172 Cb 0.58 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2pnk h ASP 172 CO 0.00 -0.17 -0.14 -0.65 -3.12 0.00 0.00 179.24 175.16 2pnk h PRO 173 N 0.07 0.21 0.07 3.56 0.11 -1.94 0.42 132.00 134.49 2pnk h PRO 173 Ca 0.35 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 2pnk h PRO 173 Cb 0.58 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2pnk h PRO 173 CO -0.63 0.35 -0.03 1.25 -0.21 0.00 0.00 178.00 178.73 2pnk h LEU 174 N 0.20 -0.08 0.12 2.35 5.85 -1.63 -2.39 115.31 119.73 2pnk h LEU 174 Ca 0.04 -0.41 -0.28 0.00 0.84 0.00 0.00 57.88 58.06 2pnk h LEU 174 Cb 0.37 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2pnk h LEU 174 CO 0.02 0.39 -1.35 -0.07 -0.34 0.00 0.00 178.44 177.09 2pnk h LEU 175 N -0.58 0.38 0.00 2.25 3.38 -1.08 -3.23 115.31 116.44 2pnk h LEU 175 Ca -0.01 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pnk h LEU 175 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2pnk h LEU 175 CO 0.02 1.37 -1.60 0.59 0.09 0.00 0.00 178.44 178.90 2pnk n ASN 176 N -3.48 0.46 -2.19 -0.43 3.02 0.14 -3.79 115.26 108.99 2pnk n ASN 176 Ca -0.11 -0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 54.03 2pnk n ASN 176 Cb 1.03 1.61 0.05 0.00 -0.61 0.00 0.00 39.78 41.86 2pnk n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pnk n GLU 177 N -1.96 1.86 0.06 3.52 1.02 -0.90 -4.91 120.64 119.33 2pnk n GLU 177 Ca -0.01 -3.38 0.07 0.00 -0.02 0.00 0.00 57.16 53.82 2pnk n GLU 177 Cb 0.47 -1.48 0.50 0.00 -0.02 0.00 0.00 31.44 30.91 2pnk n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2pnk h TYR 178 N 2.06 0.35 -0.70 -0.32 3.20 -1.56 0.28 116.97 120.28 2pnk h TYR 178 Ca -0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2pnk h TYR 178 Cb 1.43 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 2pnk h TYR 178 CO 0.55 0.21 0.46 0.93 -1.64 0.00 0.00 178.16 178.68 2pnk h GLU 179 N 0.37 0.77 0.10 1.82 4.39 -1.90 0.97 114.58 121.10 2pnk h GLU 179 Ca 0.13 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.56 2pnk h GLU 179 Cb 0.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2pnk h GLU 179 CO -0.03 0.51 -1.10 1.96 -1.16 0.00 0.00 179.01 179.19 2pnk h GLN 180 N 0.79 0.22 0.00 2.33 7.50 -1.64 -3.40 115.11 120.91 2pnk h GLN 180 Ca 0.29 -0.37 -0.10 0.00 0.50 0.00 0.00 58.65 58.97 2pnk h GLN 180 Cb 0.15 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 2pnk h GLN 180 CO -0.09 1.18 -0.49 1.15 -1.50 0.00 0.00 178.83 179.08 2pnk h THR 181 N -0.45 1.23 -0.56 -0.54 2.02 -0.48 -2.87 112.91 111.26 2pnk h THR 181 Ca -0.23 -1.76 0.13 0.00 0.77 0.00 0.00 66.41 65.32 2pnk h THR 181 Cb 1.62 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.98 2pnk h THR 181 CO 0.06 0.48 0.39 0.07 0.37 0.00 0.00 175.52 176.89 2pnk h LYS 182 N 0.00 0.17 0.00 6.66 2.10 -1.04 -0.14 116.57 124.32 2pnk h LYS 182 Ca -0.00 -0.01 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 2pnk h LYS 182 Cb 0.94 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.21 2pnk h LYS 182 CO 0.06 0.11 -0.80 0.45 -2.00 0.00 0.00 179.45 177.28 2pnk h HIS 183 N 0.17 0.00 -0.11 0.07 3.86 -1.76 -2.49 115.15 114.90 2pnk h HIS 183 Ca 0.27 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.27 2pnk h HIS 183 Cb 0.82 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.30 2pnk h HIS 183 CO -0.00 0.80 -0.73 0.00 0.86 0.00 0.00 177.93 178.86 2pnk h ARG 184 N 0.00 0.68 -0.60 2.45 3.08 -1.41 -2.22 114.38 116.36 2pnk h ARG 184 Ca -0.01 -0.59 0.10 0.00 0.07 0.00 0.00 59.98 59.55 2pnk h ARG 184 Cb 1.42 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.52 2pnk h ARG 184 CO 0.10 1.20 0.18 -0.07 -1.07 0.00 0.00 179.97 180.32 2pnk h LEU 185 N 0.36 0.13 -0.37 3.04 3.38 -0.96 -1.24 115.31 119.65 2pnk h LEU 185 Ca -0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pnk h LEU 185 Cb 1.37 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 2pnk h LEU 185 CO 0.15 0.08 0.23 0.03 0.09 0.00 0.00 178.44 179.02 2pnk h ARG 186 N 0.34 0.50 0.00 1.13 2.47 -1.28 0.20 114.38 117.74 2pnk h ARG 186 Ca 0.31 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2pnk h ARG 186 Cb 0.42 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2pnk h ARG 186 CO -0.34 0.36 -0.04 0.22 0.56 0.00 0.00 179.97 180.73 2pnk h ASP 187 N 0.49 0.00 -0.19 7.04 3.58 -0.78 -0.88 116.42 125.69 2pnk h ASP 187 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2pnk h ASP 187 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2pnk h ASP 187 CO -0.03 0.04 0.00 0.79 -2.88 0.00 0.00 179.24 177.16 2pnk n TRP 188 N -4.18 0.25 -0.14 0.28 8.01 -0.53 -4.95 117.44 116.18 2pnk n TRP 188 Ca -0.03 -0.12 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 2pnk n TRP 188 Cb 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 2pnk n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pnk n GLY 189 N 1.15 0.61 3.56 6.99 0.00 -0.33 -5.05 105.19 112.12 2pnk n GLY 189 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2pnk n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnk s TYR 190 N -2.24 3.01 -1.46 1.61 2.02 -0.01 -4.95 117.35 115.33 2pnk s TYR 190 Ca 0.00 0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.93 2pnk s TYR 190 Cb 0.00 -3.67 0.04 0.00 -0.40 0.00 0.00 41.96 37.93 2pnk s TYR 190 CO 0.00 -0.94 2.42 1.63 -1.57 0.00 0.00 175.55 177.09 2pnk n LYS 191 N 6.75 3.55 -2.62 -0.62 4.76 -1.26 -2.82 118.16 125.90 2pnk n LYS 191 Ca 0.04 -2.78 -0.40 0.00 -2.87 0.00 0.00 58.31 52.29 2pnk n LYS 191 Cb 0.48 -2.96 -0.05 0.00 -1.84 0.00 0.00 35.03 30.66 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2pnk s VAL 192 N 1.65 3.92 0.64 -0.18 -7.23 -1.26 -4.40 120.40 113.53 2pnk s VAL 192 Ca 0.54 1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 62.52 2pnk s VAL 192 Cb 0.15 -4.16 0.08 0.00 0.56 0.00 0.00 36.38 33.01 2pnk s VAL 192 CO -0.06 0.38 0.89 0.20 -0.31 0.00 0.00 175.10 176.20 2pnk s ASN 193 N -0.69 4.81 0.24 4.85 0.01 -1.26 -4.93 114.94 117.98 2pnk s ASN 193 Ca 0.45 -0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 52.42 2pnk s ASN 193 Cb -0.28 -0.48 0.28 0.00 0.41 0.00 0.00 41.25 41.18 2pnk s ASN 193 CO 0.35 -1.51 1.68 0.44 -1.51 0.00 0.00 177.10 176.55 2pnk h ASP 194 N -0.25 0.71 -4.01 -1.22 3.32 -2.01 -3.43 116.42 109.53 2pnk h ASP 194 Ca -0.39 -0.23 -0.47 0.00 0.02 0.00 0.00 57.03 55.96 2pnk h ASP 194 Cb 1.28 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 2pnk h ASP 194 CO 0.47 0.89 0.29 -1.61 -1.72 0.00 0.00 179.24 177.55 2pnk s GLU 195 N -4.68 4.01 -1.04 3.56 2.02 -1.26 -5.00 118.70 116.31 2pnk s GLU 195 Ca -0.09 0.89 -0.18 0.00 0.02 0.00 0.00 54.97 55.61 2pnk s GLU 195 Cb 0.14 -2.23 0.13 0.00 0.10 0.00 0.00 34.13 32.26 2pnk s GLU 195 CO 0.82 -0.11 1.29 -0.46 0.02 0.00 0.00 175.26 176.82 2pnk s TRP 196 N -2.37 3.12 0.34 1.61 -0.11 -1.26 -4.68 118.94 115.59 2pnk s TRP 196 Ca 0.58 -1.53 0.01 0.00 1.22 0.00 0.00 56.10 56.38 2pnk s TRP 196 Cb -0.10 -4.38 -0.00 0.00 -1.50 0.00 0.00 33.47 27.49 2pnk s TRP 196 CO 0.24 -1.55 0.04 0.27 -4.62 0.00 0.00 176.95 171.34 2pnk n ASN 197 N 6.75 2.28 -0.17 5.86 0.23 -1.26 -4.96 115.26 123.99 2pnk n ASN 197 Ca 0.30 -2.62 -0.02 0.00 -0.53 0.00 0.00 54.58 51.71 2pnk n ASN 197 Cb 0.47 0.46 0.07 0.00 -2.08 0.00 0.00 39.78 38.71 2pnk n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2pnk h GLU 198 N 0.00 0.29 -0.62 -3.83 4.81 -1.99 -0.85 114.58 112.39 2pnk h GLU 198 Ca -0.28 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.06 2pnk h GLU 198 Cb 0.92 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.13 2pnk h GLU 198 CO 0.46 0.19 0.04 0.78 -0.73 0.00 0.00 179.01 179.75 2pnk h GLY 199 N 0.30 0.70 0.97 1.92 0.00 -1.95 0.25 103.07 105.26 2pnk h GLY 199 Ca 0.26 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 2pnk h GLY 199 CO -0.29 -0.18 -0.09 1.76 0.00 0.00 0.00 176.54 177.73 2pnk h SER 200 N 0.15 0.75 -0.11 0.19 0.02 -1.50 -0.80 113.55 112.26 2pnk h SER 200 Ca 0.33 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2pnk h SER 200 Cb 0.52 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2pnk h SER 200 CO -0.50 0.94 0.08 0.40 -1.14 0.00 0.00 176.83 176.61 2pnk h ILE 201 N 0.55 1.03 -0.38 3.27 2.04 -0.54 -1.14 117.51 122.35 2pnk h ILE 201 Ca 0.10 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.76 2pnk h ILE 201 Cb 0.61 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2pnk h ILE 201 CO 0.04 0.03 -0.31 1.56 0.00 0.00 0.00 178.15 179.47 2pnk h GLN 202 N 0.15 0.83 -0.03 2.37 1.08 -0.44 -1.57 115.11 117.50 2pnk h GLN 202 Ca 0.04 -0.39 -0.15 0.00 -1.45 0.00 0.00 58.65 56.71 2pnk h GLN 202 Cb -0.02 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2pnk h GLN 202 CO -0.01 1.02 -0.65 0.93 -0.95 0.00 0.00 178.83 179.17 2pnk h GLU 203 N 0.70 0.14 -0.47 1.46 4.39 -0.98 -0.01 114.58 119.80 2pnk h GLU 203 Ca 0.08 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 2pnk h GLU 203 Cb 0.86 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2pnk h GLU 203 CO 0.08 0.74 -0.23 0.28 -1.16 0.00 0.00 179.01 178.72 2pnk h VAL 204 N 0.10 1.27 -0.71 3.13 2.07 -1.04 -1.48 116.25 119.59 2pnk h VAL 204 Ca -0.01 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2pnk h VAL 204 Cb 1.16 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2pnk h VAL 204 CO 0.09 0.48 0.39 0.11 0.02 0.00 0.00 177.57 178.66 2pnk h LYS 205 N 0.84 0.98 -0.74 1.57 1.57 -0.96 -1.68 116.57 118.15 2pnk h LYS 205 Ca 0.11 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2pnk h LYS 205 Cb 0.80 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2pnk h LYS 205 CO 0.07 0.73 0.28 -0.09 -0.57 0.00 0.00 179.45 179.88 2pnk h ARG 206 N 0.97 1.11 -0.46 3.15 2.43 -0.83 0.19 114.38 120.94 2pnk h ARG 206 Ca 0.25 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2pnk h ARG 206 Cb 0.03 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2pnk h ARG 206 CO -0.04 0.90 0.21 0.35 -1.51 0.00 0.00 179.97 179.88 2pnk h PHE 207 N 1.08 0.37 -0.27 2.20 3.57 -1.01 0.16 116.94 123.04 2pnk h PHE 207 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2pnk h PHE 207 Cb 0.22 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2pnk h PHE 207 CO 0.02 0.17 0.07 -0.07 -2.23 0.00 0.00 178.31 176.27 2pnk h LEU 208 N 0.41 0.40 -0.66 0.59 3.38 -0.76 -1.81 115.31 116.87 2pnk h LEU 208 Ca 0.21 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2pnk h LEU 208 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2pnk h LEU 208 CO -0.17 0.52 -0.24 0.74 0.09 0.00 0.00 178.44 179.38 2pnk h THR 209 N 0.26 1.27 -0.67 0.22 2.02 -0.79 -0.13 112.91 115.10 2pnk h THR 209 Ca 0.08 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 65.91 2pnk h THR 209 Cb 0.27 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2pnk h THR 209 CO 0.00 0.46 0.43 0.44 0.37 0.00 0.00 175.52 177.22 2pnk h ASP 210 N 0.68 0.73 0.65 4.18 3.32 -0.54 -0.96 116.42 124.48 2pnk h ASP 210 Ca 0.09 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 2pnk h ASP 210 Cb 0.76 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2pnk h ASP 210 CO 0.06 0.52 -0.70 -0.50 -1.72 0.00 0.00 179.24 176.90 2pnk h TRP 211 N 0.87 0.05 -0.29 4.55 4.06 -0.95 -1.80 115.95 122.44 2pnk h TRP 211 Ca 0.26 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.13 2pnk h TRP 211 Cb -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 2pnk h TRP 211 CO -0.04 0.72 -0.03 0.82 -3.56 0.00 0.00 178.44 176.35 2pnk h ILE 212 N 0.02 1.27 -0.42 1.49 2.04 -0.80 -2.99 117.51 118.12 2pnk h ILE 212 Ca -0.01 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2pnk h ILE 212 Cb 1.23 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2pnk h ILE 212 CO 0.09 0.32 0.07 -0.33 0.00 0.00 0.00 178.15 178.31 2pnk h GLU 213 N 0.30 0.64 0.00 2.37 5.08 -1.13 -0.52 114.58 121.33 2pnk h GLU 213 Ca 0.08 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2pnk h GLU 213 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2pnk h GLU 213 CO 0.02 0.61 0.00 -2.13 -1.00 0.00 0.00 179.01 176.51 2pnk n ARG 214 N -4.29 0.81 0.00 2.33 0.63 -0.68 -5.04 116.66 110.41 2pnk n ARG 214 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2pnk n ARG 214 Cb 0.22 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.91 2pnk n ARG 214 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2pnk n ASP 216 N -0.73 0.00 -4.79 6.15 2.03 -0.20 -5.09 116.55 113.92 2pnk n ASP 216 Ca 0.09 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.04 2pnk n ASP 216 Cb 0.04 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 2pnk n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pnk s PRO 217 N 0.00 3.93 0.33 -0.67 0.04 -1.26 -4.56 135.00 132.81 2pnk s PRO 217 Ca 0.00 1.47 0.20 0.00 0.04 0.00 0.00 61.00 62.71 2pnk s PRO 217 Cb 0.00 -2.30 0.17 0.00 0.04 0.00 0.00 34.50 32.42 2pnk s PRO 217 CO 0.00 -0.34 1.42 -0.39 0.04 0.00 0.00 177.00 177.73 2pnk h VAL 218 N 1.83 0.31 0.00 -0.36 -1.51 -1.39 -3.48 116.25 111.64 2pnk h VAL 218 Ca -0.49 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 2pnk h VAL 218 Cb 1.22 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 32.45 2pnk h VAL 218 CO 0.60 0.18 0.00 0.00 -1.23 0.00 0.00 177.57 177.12 2pnk n TYR 219 N -3.07 0.00 -3.64 5.19 0.18 -1.26 -4.33 117.16 110.23 2pnk n TYR 219 Ca 0.02 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.78 2pnk n TYR 219 Cb 0.62 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.54 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk s ALA 221 N -1.04 -2.15 -0.08 -3.48 0.00 -0.32 -1.86 121.76 112.83 2pnk s ALA 221 Ca 0.00 1.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 2pnk s ALA 221 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2pnk s ALA 221 CO 0.00 -0.32 0.30 0.54 0.00 0.00 0.00 175.76 176.28 2pnk s VAL 222 N -1.30 0.02 -0.10 0.00 0.11 -0.31 -0.91 120.40 117.90 2pnk s VAL 222 Ca 0.10 -0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 2pnk s VAL 222 Cb -0.01 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2pnk s VAL 222 CO -0.07 -0.09 0.13 -0.94 -3.33 0.00 0.00 175.10 170.80 2pnk s SER 223 N -0.30 6.23 0.07 3.54 1.04 -1.26 -4.75 113.70 118.27 2pnk s SER 223 Ca -0.04 0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.84 2pnk s SER 223 Cb -0.03 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.08 2pnk s SER 223 CO 0.01 0.39 -0.12 -0.76 0.98 0.00 0.00 173.24 173.74 2pnk s LEU 224 N -1.11 2.28 0.80 2.42 1.43 -1.26 -4.91 118.68 118.33 2pnk s LEU 224 Ca 0.16 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 2pnk s LEU 224 Cb -0.12 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.76 2pnk s LEU 224 CO 0.05 -0.12 1.15 -2.16 0.23 0.00 0.00 176.35 175.50 2pnk s PRO 225 N -1.76 2.03 0.57 1.29 0.04 -1.25 -0.03 135.00 135.89 2pnk s PRO 225 Ca -0.04 0.26 0.26 0.00 0.04 0.00 0.00 61.00 61.53 2pnk s PRO 225 Cb -0.10 -1.94 1.60 0.00 0.04 0.00 0.00 34.50 34.10 2pnk s PRO 225 CO 0.02 -1.58 2.13 -1.35 0.04 0.00 0.00 177.00 176.27 2pnk h PRO 226 N -1.05 0.00 -0.15 0.56 0.11 -1.77 -1.59 132.00 128.12 2pnk h PRO 226 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pnk h PRO 226 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2pnk h PRO 226 CO 0.64 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 2pnk n THR 227 N -4.02 0.20 -1.66 -1.15 -2.24 -1.26 -4.09 114.28 100.07 2pnk n THR 227 Ca 0.01 -0.23 -0.47 0.00 -2.27 0.00 0.00 64.05 61.08 2pnk n THR 227 Cb 0.26 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 2pnk n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2pnk n PHE 228 N -0.03 2.17 -4.15 4.78 7.35 -0.60 -4.98 117.46 122.00 2pnk n PHE 228 Ca 0.10 0.30 -0.15 0.00 -0.76 0.00 0.00 57.45 56.94 2pnk n PHE 228 Cb 0.18 -2.52 -0.11 0.00 0.35 0.00 0.00 39.48 37.38 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 1.11 1.38 -0.27 -2.13 0.01 -1.26 -4.72 113.70 107.83 2pnk s SER 229 Ca 0.81 -0.69 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 2pnk s SER 229 Cb -0.72 -0.00 0.07 0.00 0.21 0.00 0.00 66.02 65.58 2pnk s SER 229 CO 0.40 -0.19 0.68 0.12 0.41 0.00 0.00 173.24 174.66 2pnk s PHE 230 N -1.82 -0.91 0.88 2.43 2.19 -1.26 -4.48 117.98 115.01 2pnk s PHE 230 Ca -0.01 1.98 -0.10 0.00 0.33 0.00 0.00 56.93 59.13 2pnk s PHE 230 Cb -0.07 0.46 0.13 0.00 -1.31 0.00 0.00 43.02 42.23 2pnk s PHE 230 CO 0.01 -0.45 1.13 -2.14 1.83 0.00 0.00 175.22 175.59 2pnk s PRO 231 N 1.09 1.28 -0.28 10.12 0.02 -1.26 -4.15 135.00 141.83 2pnk s PRO 231 Ca -0.06 1.41 -0.19 0.00 0.02 0.00 0.00 61.00 62.19 2pnk s PRO 231 Cb -0.05 -1.77 0.08 0.00 0.02 0.00 0.00 34.50 32.79 2pnk s PRO 231 CO -0.11 -2.40 0.73 -2.00 -0.33 0.00 0.00 177.00 172.90 2pnk s GLU 232 N -4.72 0.71 -0.80 5.54 2.12 -1.26 -5.08 118.70 115.21 2pnk s GLU 232 Ca 0.65 1.10 -0.25 0.00 0.36 0.00 0.00 54.97 56.83 2pnk s GLU 232 Cb -0.21 0.21 0.04 0.00 0.26 0.00 0.00 34.13 34.43 2pnk s GLU 232 CO 0.58 -0.13 1.27 -1.21 -0.54 0.00 0.00 175.26 175.22 2pnk s GLU 233 N 1.23 3.29 0.20 4.30 0.41 -1.26 -3.92 118.70 122.95 2pnk s GLU 233 Ca -0.07 -0.59 -0.23 0.00 -0.41 0.00 0.00 54.97 53.67 2pnk s GLU 233 Cb -0.05 -4.49 0.05 0.00 -1.78 0.00 0.00 34.13 27.86 2pnk s GLU 233 CO -0.14 -2.10 0.75 -1.54 -0.49 0.00 0.00 175.26 171.75 2pnk s SER 234 N 4.01 -0.33 0.20 -0.19 1.04 -1.26 -4.99 113.70 112.18 2pnk s SER 234 Ca 0.35 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 2pnk s SER 234 Cb -0.07 0.62 0.23 0.00 0.10 0.00 0.00 66.02 66.90 2pnk s SER 234 CO 0.08 -1.11 1.71 0.78 0.98 0.00 0.00 173.24 175.67 2pnk h ASN 235 N 2.00 -0.02 0.08 7.02 2.35 -1.91 -1.31 115.58 123.80 2pnk h ASN 235 Ca -0.24 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2pnk h ASN 235 Cb 1.26 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.77 2pnk h ASN 235 CO 0.28 0.01 -0.04 -0.09 -1.65 0.00 0.00 177.43 175.94 2pnk h ARG 236 N 0.23 -0.11 -0.87 0.81 2.43 -1.92 -0.53 114.38 114.43 2pnk h ARG 236 Ca 0.28 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.52 2pnk h ARG 236 Cb 0.39 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 2pnk h ARG 236 CO -0.37 0.17 0.54 0.78 -1.51 0.00 0.00 179.97 179.59 2pnk h GLY 237 N -0.39 1.33 1.01 2.80 0.00 -1.69 -0.63 103.07 105.50 2pnk h GLY 237 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 2pnk h GLY 237 CO 0.02 0.24 -0.41 3.21 0.00 0.00 0.00 176.54 179.60 2pnk h ARG 238 N 0.96 0.72 -0.70 4.80 3.08 -1.16 -1.89 114.38 120.19 2pnk h ARG 238 Ca 0.39 -0.44 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2pnk h ARG 238 Cb 0.22 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2pnk h ARG 238 CO -0.19 1.06 0.24 0.82 -1.07 0.00 0.00 179.97 180.83 2pnk h ILE 239 N 0.45 1.25 0.11 2.04 2.04 -0.73 -0.37 117.51 122.30 2pnk h ILE 239 Ca 0.02 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2pnk h ILE 239 Cb 1.01 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2pnk h ILE 239 CO 0.09 0.33 -0.05 0.40 0.00 0.00 0.00 178.15 178.92 2pnk h ILE 240 N 1.01 0.91 -0.06 -0.67 2.04 -1.11 0.68 117.51 120.30 2pnk h ILE 240 Ca 0.23 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 2pnk h ILE 240 Cb 0.27 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2pnk h ILE 240 CO -0.01 0.02 -0.00 -0.09 0.00 0.00 0.00 178.15 178.06 2pnk h ARG 241 N -0.18 0.11 0.00 2.37 2.43 -1.23 -1.64 114.38 116.24 2pnk h ARG 241 Ca -0.02 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 2pnk h ARG 241 Cb 0.14 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2pnk h ARG 241 CO 0.03 0.39 -1.56 -0.25 -1.51 0.00 0.00 179.97 177.07 2pnk n ASP 242 N -4.86 0.73 0.02 -3.80 8.00 -0.16 -4.49 116.55 111.99 2pnk n ASP 242 Ca -0.07 0.32 -0.02 0.00 0.71 0.00 0.00 54.79 55.73 2pnk n ASP 242 Cb 0.19 0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 2pnk n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk h LEU 244 N -0.16 0.20 -0.25 0.00 6.46 -0.87 -2.69 115.31 118.00 2pnk h LEU 244 Ca -0.03 -0.57 -0.03 0.00 -0.12 0.00 0.00 57.88 57.13 2pnk h LEU 244 Cb 0.38 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2pnk h LEU 244 CO -0.02 0.74 0.05 -0.07 -0.62 0.00 0.00 178.44 178.52 2pnk h LEU 245 N -0.33 0.39 -0.19 2.25 3.38 -1.54 0.99 115.31 120.26 2pnk h LEU 245 Ca 0.00 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2pnk h LEU 245 Cb 0.71 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2pnk h LEU 245 CO 0.03 0.54 0.00 -0.65 0.09 0.00 0.00 178.44 178.45 2pnk h PRO 246 N 0.22 0.06 -0.58 1.13 0.11 -1.79 -0.57 132.00 130.58 2pnk h PRO 246 Ca 0.08 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.22 2pnk h PRO 246 Cb 0.31 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 2pnk h PRO 246 CO 0.00 0.04 0.34 0.28 -0.21 0.00 0.00 178.00 178.45 2pnk h VAL 247 N 0.07 1.02 -0.53 3.15 2.07 -1.38 -0.85 116.25 119.80 2pnk h VAL 247 Ca 0.09 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2pnk h VAL 247 Cb 0.11 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2pnk h VAL 247 CO -0.15 0.12 0.27 0.00 0.02 0.00 0.00 177.57 177.83 2pnk h ALA 248 N 1.28 0.68 -0.40 1.67 0.00 -0.57 -1.36 119.26 120.55 2pnk h ALA 248 Ca 0.25 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2pnk h ALA 248 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pnk h ALA 248 CO -0.13 -0.07 -0.11 1.49 0.00 0.00 0.00 179.25 180.42 2pnk h GLU 249 N 0.52 0.79 -0.52 0.00 4.81 -0.87 0.13 114.58 119.45 2pnk h GLU 249 Ca 0.23 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2pnk h GLU 249 Cb 0.14 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2pnk h GLU 249 CO -0.16 0.93 0.34 -0.22 -0.73 0.00 0.00 179.01 179.16 2pnk h LYS 250 N 0.60 0.66 -0.01 1.92 3.64 -0.73 -2.15 116.57 120.51 2pnk h LYS 250 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2pnk h LYS 250 Cb 0.64 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2pnk h LYS 250 CO 0.04 0.44 -0.08 0.72 -2.27 0.00 0.00 179.45 178.30 2pnk n HIS 251 N -4.74 0.00 -3.82 1.91 8.25 -0.55 -4.95 115.22 111.32 2pnk n HIS 251 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.25 2pnk n HIS 251 Cb 0.03 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.11 2pnk n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2pnk n ASN 252 N -0.25 -1.21 -4.46 0.41 5.15 0.22 -5.01 115.26 110.12 2pnk n ASN 252 Ca 0.17 -0.89 -0.34 0.00 -0.60 0.00 0.00 54.58 52.92 2pnk n ASN 252 Cb 0.33 -3.67 -0.12 0.00 -0.53 0.00 0.00 39.78 35.79 2pnk n ASN 252 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pnk s ILE 253 N -3.73 3.92 0.75 -1.44 1.01 0.21 -4.89 121.20 117.03 2pnk s ILE 253 Ca 0.08 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 2pnk s ILE 253 Cb -0.04 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.72 2pnk s ILE 253 CO 0.84 0.45 1.24 -2.84 0.00 0.00 0.00 174.94 174.63 2pnk s PRO 254 N 0.80 1.98 -0.29 2.79 0.02 -1.26 -4.63 135.00 134.42 2pnk s PRO 254 Ca -0.00 1.86 -0.07 0.00 0.02 0.00 0.00 61.00 62.81 2pnk s PRO 254 Cb -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2pnk s PRO 254 CO 0.02 -1.98 0.08 0.12 -0.33 0.00 0.00 177.00 174.91 2pnk s PHE 255 N -1.88 3.13 0.36 6.54 5.36 -0.57 -4.55 117.98 126.37 2pnk s PHE 255 Ca 0.76 -0.83 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 2pnk s PHE 255 Cb -0.32 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 2pnk s PHE 255 CO 0.46 -0.52 0.55 0.00 -1.46 0.00 0.00 175.22 174.25 2pnk s ALA 256 N 1.53 3.80 -0.30 11.12 0.00 -1.26 -1.29 121.76 135.37 2pnk s ALA 256 Ca 0.04 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 2pnk s ALA 256 Cb -0.17 -2.03 0.19 0.00 0.00 0.00 0.00 23.12 21.12 2pnk s ALA 256 CO 0.03 -0.08 1.34 0.42 0.00 0.00 0.00 175.76 177.47 2pnk s ILE 259 N -2.32 0.00 0.00 0.00 1.01 -0.65 -1.16 121.20 118.08 2pnk s ILE 259 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2pnk s ILE 259 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2pnk s ILE 259 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2pnk n GLY 260 N 2.21 1.06 3.70 6.18 0.00 0.96 -0.92 105.19 118.38 2pnk n GLY 260 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2pnk n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s VAL 261 N -1.91 4.99 -0.46 1.61 0.11 -0.90 -1.52 120.40 122.33 2pnk s VAL 261 Ca 0.00 1.51 -0.15 0.00 -2.93 0.00 0.00 61.98 60.41 2pnk s VAL 261 Cb 0.00 -4.08 0.06 0.00 -1.53 0.00 0.00 36.38 30.84 2pnk s VAL 261 CO 0.00 0.18 0.39 -0.75 -3.33 0.00 0.00 175.10 171.59 2pnk s LYS 262 N 1.23 2.98 0.28 1.54 2.20 0.10 -3.93 119.74 124.13 2pnk s LYS 262 Ca 0.38 -1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.41 2pnk s LYS 262 Cb -0.18 -4.11 -0.10 0.00 -1.51 0.00 0.00 37.83 31.94 2pnk s LYS 262 CO 0.17 -0.99 1.12 0.15 -0.36 0.00 0.00 175.35 175.44 2pnk s LYS 263 N 1.67 4.61 -1.34 4.03 -0.14 -1.26 -0.69 119.74 126.63 2pnk s LYS 263 Ca 0.04 1.85 -0.12 0.00 -1.36 0.00 0.00 55.97 56.38 2pnk s LYS 263 Cb -0.23 -3.18 0.01 0.00 -1.68 0.00 0.00 37.83 32.75 2pnk s LYS 263 CO 0.07 0.17 0.47 0.54 -0.76 0.00 0.00 175.35 175.84 2pnk n ARG 264 N 1.19 -1.68 0.23 1.68 5.12 -1.21 -4.88 116.66 117.11 2pnk n ARG 264 Ca -0.01 0.28 0.10 0.00 -1.93 0.00 0.00 57.85 56.29 2pnk n ARG 264 Cb 0.44 -3.80 0.56 0.00 -1.16 0.00 0.00 32.46 28.50 2pnk n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2pnk h VAL 265 N -2.02 0.70 -2.69 1.55 -1.51 -1.17 -3.32 116.25 107.79 2pnk h VAL 265 Ca -0.66 -0.89 -0.60 0.00 -1.23 0.00 0.00 66.70 63.31 2pnk h VAL 265 Cb 1.38 1.56 -0.40 0.00 -2.13 0.00 0.00 31.29 31.71 2pnk h VAL 265 CO 0.59 0.21 -0.78 1.57 -1.23 0.00 0.00 177.57 177.92 2pnk n HIS 266 N -3.63 1.12 -0.20 5.19 -0.00 -1.02 -5.01 115.22 111.67 2pnk n HIS 266 Ca -0.01 -3.80 0.19 0.00 -0.00 0.00 0.00 57.72 54.11 2pnk n HIS 266 Cb 0.34 -0.18 0.55 0.00 -0.00 0.00 0.00 29.99 30.70 2pnk n HIS 266 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2pnk h PRO 267 N 5.46 0.32 0.00 1.57 0.11 -1.84 -1.56 132.00 136.06 2pnk h PRO 267 Ca 0.21 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2pnk h PRO 267 Cb 0.83 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2pnk h PRO 267 CO 0.54 0.21 -0.09 0.00 -0.21 0.00 0.00 178.00 178.46 2pnk h ALA 268 N 1.62 1.07 0.00 -0.75 0.00 -1.95 -2.08 119.26 117.18 2pnk h ALA 268 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2pnk h ALA 268 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2pnk h ALA 268 CO -0.13 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2pnk n LEU 269 N -3.30 0.00 0.00 0.00 4.77 -0.59 -4.99 117.00 112.89 2pnk n LEU 269 Ca -0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2pnk n LEU 269 Cb 0.30 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2pnk n LEU 269 CO 0.29 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2pnk n GLY 270 N 1.00 3.23 0.31 -0.72 0.00 -0.78 -2.16 105.19 106.07 2pnk n GLY 270 Ca 0.09 -0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.15 2pnk n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pnk h ASP 271 N 0.00 0.00 -0.15 1.61 3.32 -1.94 -0.48 116.42 118.78 2pnk h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pnk h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pnk h ASP 271 CO 0.00 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 2pnk n ALA 272 N -2.17 2.51 -0.10 3.45 0.00 -0.92 -4.23 120.51 119.05 2pnk n ALA 272 Ca -0.02 -0.28 0.10 0.00 0.00 0.00 0.00 53.44 53.24 2pnk n ALA 272 Cb 0.13 -0.99 0.24 0.00 0.00 0.00 0.00 19.45 18.83 2pnk n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 273 N 0.68 2.21 3.87 0.00 0.00 -0.19 -4.85 105.19 106.91 2pnk n GLY 273 Ca 0.05 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2pnk n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnk s ASP 274 N -1.12 6.61 0.01 1.61 1.01 -1.26 -0.86 116.67 122.67 2pnk s ASP 274 Ca 0.38 0.75 0.00 0.00 0.71 0.00 0.00 52.55 54.40 2pnk s ASP 274 Cb 0.21 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.98 2pnk s ASP 274 CO 0.28 0.15 0.00 0.33 0.21 0.00 0.00 175.17 176.14 2pnk n PHE 275 N 0.77 0.03 -4.08 4.23 7.35 0.14 -4.93 117.46 120.97 2pnk n PHE 275 Ca -0.07 -0.07 -0.13 0.00 -0.76 0.00 0.00 57.45 56.42 2pnk n PHE 275 Cb 0.52 -0.01 -0.11 0.00 0.35 0.00 0.00 39.48 40.23 2pnk n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2pnk s VAL 276 N -1.12 0.59 0.11 -2.13 0.11 -1.26 -0.73 120.40 115.97 2pnk s VAL 276 Ca 0.00 -1.19 -0.14 0.00 -2.93 0.00 0.00 61.98 57.72 2pnk s VAL 276 Cb 0.00 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2pnk s VAL 276 CO 0.00 -0.43 0.33 -0.83 -3.33 0.00 0.00 175.10 170.84 2pnk s GLY 277 N -1.76 -0.15 0.24 6.54 0.00 -0.57 -4.81 107.32 106.80 2pnk s GLY 277 Ca -0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 2pnk s GLY 277 CO -0.00 -0.48 1.15 1.25 0.00 0.00 0.00 173.10 175.02 2pnk s LYS 278 N -3.82 4.57 0.20 2.90 2.20 -1.26 -4.51 119.74 120.02 2pnk s LYS 278 Ca 0.04 1.85 0.06 0.00 -0.36 0.00 0.00 55.97 57.55 2pnk s LYS 278 Cb 0.03 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2pnk s LYS 278 CO -0.12 0.07 0.15 0.00 -0.36 0.00 0.00 175.35 175.10 2pnk s ALA 279 N -0.69 3.56 1.00 3.13 0.00 -1.26 -4.78 121.76 122.71 2pnk s ALA 279 Ca 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2pnk s ALA 279 Cb -0.32 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2pnk s ALA 279 CO 0.40 0.39 0.00 0.45 0.00 0.00 0.00 175.76 177.00 2pnk n SER 280 N -0.71 0.00 0.00 0.00 2.88 -1.26 -4.96 113.62 109.57 2pnk n SER 280 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2pnk n SER 280 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.18 -3.46 8.00 -1.26 -4.70 116.55 114.95 2pnk n ASP 282 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2pnk n ASP 282 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2pnk n ASP 282 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pnk h GLY 283 N 0.00 0.88 0.76 0.44 0.00 -1.86 0.11 103.07 103.40 2pnk h GLY 283 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2pnk h GLY 283 CO 0.00 0.51 -0.09 -2.08 0.00 0.00 0.00 176.54 174.88 2pnk h VAL 284 N 0.71 1.32 -0.21 4.60 2.07 -1.88 -2.08 116.25 120.77 2pnk h VAL 284 Ca 0.16 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.57 2pnk h VAL 284 Cb 0.33 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2pnk h VAL 284 CO 0.00 0.34 -0.15 -0.08 0.02 0.00 0.00 177.57 177.70 2pnk h GLU 285 N 0.02 -0.14 -0.56 1.57 4.81 -1.93 -1.81 114.58 116.53 2pnk h GLU 285 Ca 0.03 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2pnk h GLU 285 Cb 0.58 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2pnk h GLU 285 CO 0.03 -0.09 0.31 1.25 -0.73 0.00 0.00 179.01 179.77 2pnk h HIS 286 N -0.15 0.57 -0.60 0.92 2.76 -0.90 -1.42 115.15 116.32 2pnk h HIS 286 Ca 0.12 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2pnk h HIS 286 Cb 0.33 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 2pnk h HIS 286 CO -0.31 0.29 0.25 -0.07 -1.30 0.00 0.00 177.93 176.79 2pnk h LEU 287 N 0.59 0.82 -0.22 0.26 3.38 -1.07 0.22 115.31 119.29 2pnk h LEU 287 Ca 0.25 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 287 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2pnk h LEU 287 CO -0.15 0.75 -0.02 -0.07 0.09 0.00 0.00 178.44 179.04 2pnk h LEU 288 N 0.83 0.40 -0.09 1.67 3.38 -1.09 -0.86 115.31 119.54 2pnk h LEU 288 Ca 0.20 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2pnk h LEU 288 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pnk h LEU 288 CO -0.02 0.63 -0.01 -0.09 0.09 0.00 0.00 178.44 179.05 2pnk h ARG 289 N 0.15 0.17 0.00 1.13 2.43 -1.20 -3.29 114.38 113.78 2pnk h ARG 289 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pnk h ARG 289 Cb 0.44 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2pnk h ARG 289 CO 0.01 0.45 -0.17 0.39 -1.51 0.00 0.00 179.97 179.15 2pnk n GLU 290 N -4.81 0.10 -3.33 0.20 -0.58 0.06 -4.10 120.64 108.19 2pnk n GLU 290 Ca -0.06 0.06 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 2pnk n GLU 290 Cb 0.21 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 2pnk n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pnk n TYR 291 N -1.76 2.72 0.32 -0.32 4.02 -0.33 -4.92 117.16 116.89 2pnk n TYR 291 Ca 0.06 -4.01 0.15 0.00 -0.01 0.00 0.00 57.90 54.09 2pnk n TYR 291 Cb 0.37 -0.50 0.65 0.00 -0.02 0.00 0.00 39.34 39.84 2pnk n TYR 291 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pnk h PRO 292 N 4.01 0.00 -0.37 -0.72 0.13 -1.71 -2.29 132.00 131.05 2pnk h PRO 292 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2pnk h PRO 292 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2pnk h PRO 292 CO 0.75 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 2pnk n ASN 293 N -2.59 3.10 -4.76 1.44 3.02 -1.26 -4.87 115.26 109.33 2pnk n ASN 293 Ca 0.01 -1.94 -0.31 0.00 -0.03 0.00 0.00 54.58 52.30 2pnk n ASN 293 Cb 0.20 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 2pnk n ASN 293 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2pnk s ASN 294 N -1.45 5.49 -0.10 6.41 -0.87 -0.86 -4.78 114.94 118.77 2pnk s ASN 294 Ca 0.38 0.00 -0.01 0.00 -1.57 0.00 0.00 52.86 51.66 2pnk s ASN 294 Cb 0.22 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.25 39.94 2pnk s ASN 294 CO 0.30 0.20 -0.04 -0.54 -2.57 0.00 0.00 177.10 174.45 2pnk s LYS 295 N -2.22 3.13 -0.07 -0.60 1.02 -1.26 -4.86 119.74 114.88 2pnk s LYS 295 Ca 0.27 -0.50 0.03 0.00 0.02 0.00 0.00 55.97 55.79 2pnk s LYS 295 Cb -0.12 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2pnk s LYS 295 CO 0.20 0.52 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.94 2pnk s PHE 296 N -0.41 1.68 -0.16 3.18 0.40 0.21 -1.50 117.98 121.37 2pnk s PHE 296 Ca 0.07 -0.60 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 2pnk s PHE 296 Cb -0.12 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 2pnk s PHE 296 CO 0.02 -0.27 -0.01 -0.51 0.70 0.00 0.00 175.22 175.15 2pnk s LEU 297 N 0.46 3.43 -0.02 -0.37 1.43 -0.41 -4.19 118.68 119.01 2pnk s LEU 297 Ca -0.13 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2pnk s LEU 297 Cb -0.15 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2pnk s LEU 297 CO 0.04 0.17 -0.04 -0.69 0.23 0.00 0.00 176.35 176.06 2pnk s VAL 298 N 0.37 0.42 0.15 -1.59 1.01 -1.26 -4.08 120.40 115.43 2pnk s VAL 298 Ca -0.02 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2pnk s VAL 298 Cb -0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2pnk s VAL 298 CO 0.02 0.15 0.08 1.07 0.00 0.00 0.00 175.10 176.42 2pnk n THR 299 N 3.38 0.00 0.00 3.92 5.66 -1.26 -1.73 114.28 124.24 2pnk n THR 299 Ca -0.18 -0.98 0.00 0.00 -3.05 0.00 0.00 64.05 59.84 2pnk n THR 299 Cb 0.55 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 2pnk n THR 299 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2pnk n LEU 301 N 0.00 0.00 -4.74 1.09 7.94 -0.10 -1.64 117.00 119.54 2pnk n LEU 301 Ca -0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 2pnk n LEU 301 Cb 0.25 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.15 2pnk n LEU 301 CO 0.13 0.00 0.48 -0.55 -1.11 0.00 0.00 177.39 176.34 2pnk s SER 302 N -1.36 7.22 0.39 1.96 0.15 -1.26 -4.77 113.70 116.02 2pnk s SER 302 Ca 0.00 1.46 0.11 0.00 0.70 0.00 0.00 55.95 58.22 2pnk s SER 302 Cb 0.00 -2.47 0.89 0.00 -1.71 0.00 0.00 66.02 62.73 2pnk s SER 302 CO 0.00 0.00 1.91 -0.09 1.20 0.00 0.00 173.24 176.27 2pnk h ARG 303 N 5.72 0.58 0.00 5.44 2.43 -1.96 -2.37 114.38 124.22 2pnk h ARG 303 Ca -0.44 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2pnk h ARG 303 Cb 1.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2pnk h ARG 303 CO 0.71 0.38 0.00 0.39 -1.51 0.00 0.00 179.97 179.95 2pnk n GLU 304 N -4.51 0.03 0.00 0.20 4.71 -1.26 -2.33 120.64 117.48 2pnk n GLU 304 Ca 0.14 0.16 0.12 0.00 -0.01 0.00 0.00 57.16 57.57 2pnk n GLU 304 Cb 0.42 -1.54 0.23 0.00 -1.01 0.00 0.00 31.44 29.54 2pnk n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2pnk n ASN 305 N -1.60 1.47 -0.05 1.62 5.03 -0.89 -4.66 115.26 116.18 2pnk n ASN 305 Ca 0.05 -1.18 -0.13 0.00 0.87 0.00 0.00 54.58 54.19 2pnk n ASN 305 Cb 0.26 0.27 -0.07 0.00 -1.02 0.00 0.00 39.78 39.22 2pnk n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pnk h GLN 306 N 1.79 0.31 -0.55 3.52 1.08 -1.57 -1.98 115.11 117.72 2pnk h GLN 306 Ca 0.00 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 56.97 2pnk h GLN 306 Cb 0.61 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2pnk h GLN 306 CO 0.00 0.67 0.01 1.25 -0.95 0.00 0.00 178.83 179.81 2pnk h HIS 307 N -0.05 1.04 0.00 2.96 2.76 -1.83 -2.44 115.15 117.59 2pnk h HIS 307 Ca 0.03 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 57.94 2pnk h HIS 307 Cb 0.59 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2pnk h HIS 307 CO 0.07 0.94 -0.39 1.05 -1.30 0.00 0.00 177.93 178.31 2pnk h GLU 308 N 0.84 0.00 -0.59 5.26 4.11 -1.84 -1.88 114.58 120.47 2pnk h GLU 308 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.52 2pnk h GLU 308 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2pnk h GLU 308 CO 0.03 0.39 0.11 1.25 0.07 0.00 0.00 179.01 180.85 2pnk h LEU 309 N 0.00 0.89 -0.46 3.06 5.85 -1.09 -0.35 115.31 123.22 2pnk h LEU 309 Ca -0.00 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2pnk h LEU 309 Cb 0.70 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2pnk h LEU 309 CO 0.05 0.89 -0.03 0.58 -0.34 0.00 0.00 178.44 179.59 2pnk h VAL 310 N 0.90 1.27 -0.79 1.05 2.07 -0.92 -1.10 116.25 118.72 2pnk h VAL 310 Ca 0.19 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2pnk h VAL 310 Cb 0.37 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2pnk h VAL 310 CO 0.01 0.38 0.40 0.58 0.02 0.00 0.00 177.57 178.95 2pnk h VAL 311 N 0.67 1.24 -0.32 2.57 2.07 -1.15 -2.25 116.25 119.09 2pnk h VAL 311 Ca 0.13 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 2pnk h VAL 311 Cb 0.55 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2pnk h VAL 311 CO 0.03 0.28 -0.14 0.25 0.02 0.00 0.00 177.57 178.01 2pnk h LEU 312 N 1.11 0.54 -1.41 2.57 5.85 -0.68 -2.18 115.31 121.12 2pnk h LEU 312 Ca 0.27 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2pnk h LEU 312 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2pnk h LEU 312 CO -0.04 0.71 0.09 0.00 -0.34 0.00 0.00 178.44 178.86 2pnk h ALA 313 N 1.34 1.54 -0.07 1.25 0.00 -0.72 -1.43 119.26 121.17 2pnk h ALA 313 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 313 Cb 0.54 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pnk h ALA 313 CO 0.03 0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.68 2pnk h ARG 314 N 0.47 0.00 0.00 0.00 3.08 -0.83 -3.09 114.38 114.02 2pnk h ARG 314 Ca 0.11 -0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.97 2pnk h ARG 314 Cb 0.17 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2pnk h ARG 314 CO -0.01 0.00 -1.34 0.87 -1.07 0.00 0.00 179.97 178.42 2pnk h LYS 315 N 0.00 0.00 -4.23 0.04 1.79 -1.14 -3.46 116.57 109.56 2pnk h LYS 315 Ca 0.03 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.96 2pnk h LYS 315 Cb 0.13 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.41 2pnk h LYS 315 CO -0.00 0.43 -0.80 -0.06 -1.08 0.00 0.00 179.45 177.94 2pnk s PHE 316 N -2.83 1.67 -0.90 -1.35 0.08 -0.92 -4.99 117.98 108.75 2pnk s PHE 316 Ca -0.02 -0.97 0.23 0.00 0.12 0.00 0.00 56.93 56.29 2pnk s PHE 316 Cb 0.08 -1.31 0.94 0.00 -0.57 0.00 0.00 43.02 42.16 2pnk s PHE 316 CO 0.81 -0.58 1.72 -1.13 -0.10 0.00 0.00 175.22 175.94 2pnk n SER 317 N 4.89 0.20 -0.70 1.36 3.41 -1.26 -2.59 113.62 118.92 2pnk n SER 317 Ca -0.13 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 2pnk n SER 317 Cb 0.49 -0.58 0.26 0.00 -0.26 0.00 0.00 64.21 64.12 2pnk n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pnk n ASN 318 N -1.70 2.07 -4.24 4.04 6.94 -1.26 -5.04 115.26 116.07 2pnk n ASN 318 Ca 0.05 -1.88 -0.17 0.00 -0.02 0.00 0.00 54.58 52.56 2pnk n ASN 318 Cb 0.28 -0.20 0.03 0.00 -2.36 0.00 0.00 39.78 37.53 2pnk n ASN 318 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2pnk n LEU 319 N 0.60 0.00 -3.64 -4.53 7.94 -1.07 -0.62 117.00 115.68 2pnk n LEU 319 Ca 0.15 -2.05 -0.15 0.00 -1.11 0.00 0.00 56.01 52.84 2pnk n LEU 319 Cb 0.36 -0.21 -0.07 0.00 0.53 0.00 0.00 43.42 44.03 2pnk n LEU 319 CO 0.11 -0.60 0.24 0.27 -1.11 0.00 0.00 177.39 176.31 2pnk s ILE 321 N -1.92 0.02 -0.08 1.96 -4.36 -1.26 -4.91 121.20 110.65 2pnk s ILE 321 Ca 0.38 -0.18 -0.06 0.00 -0.26 0.00 0.00 60.65 60.53 2pnk s ILE 321 Cb -0.03 -0.81 0.02 0.00 1.25 0.00 0.00 42.46 42.89 2pnk s ILE 321 CO 0.24 -0.10 0.20 0.72 0.24 0.00 0.00 174.94 176.24 2pnk s PHE 322 N -0.95 -0.22 0.00 1.37 -0.71 -0.71 -2.47 117.98 114.29 2pnk s PHE 322 Ca -0.10 0.55 0.00 0.00 -1.04 0.00 0.00 56.93 56.34 2pnk s PHE 322 Cb -0.03 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2pnk s PHE 322 CO 0.06 -0.12 0.00 0.41 -1.34 0.00 0.00 175.22 174.23 2pnk n GLY 323 N 3.23 -1.83 3.04 1.99 0.00 -0.51 -4.37 105.19 106.74 2pnk n GLY 323 Ca -0.15 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 2pnk n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnk s TRP 325 N 0.44 3.35 0.00 0.00 -0.00 -1.26 -3.53 118.94 117.94 2pnk s TRP 325 Ca 0.13 1.39 0.00 0.00 -0.00 0.00 0.00 56.10 57.62 2pnk s TRP 325 Cb -0.22 -3.20 0.00 0.00 -0.00 0.00 0.00 33.47 30.05 2pnk s TRP 325 CO -0.04 -0.43 0.00 1.87 -0.00 0.00 0.00 176.95 178.35 2pnk n TRP 326 N 6.08 0.00 -0.39 5.86 -0.00 -1.26 -3.88 117.44 123.85 2pnk n TRP 326 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.56 2pnk n TRP 326 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.72 2pnk n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2pnk n PHE 327 N 0.00 0.00 -3.95 5.87 3.72 -1.26 -4.65 117.46 117.19 2pnk n PHE 327 Ca 0.00 -0.62 -0.38 0.00 -0.05 0.00 0.00 57.45 56.40 2pnk n PHE 327 Cb 0.00 -0.76 0.01 0.00 -0.94 0.00 0.00 39.48 37.79 2pnk n PHE 327 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2pnk n ASN 329 N 2.44 -4.50 -3.79 4.37 5.15 -1.23 -5.03 115.26 112.67 2pnk n ASN 329 Ca 0.13 -1.16 -0.14 0.00 -0.60 0.00 0.00 54.58 52.82 2pnk n ASN 329 Cb 0.36 -1.80 -0.15 0.00 -0.53 0.00 0.00 39.78 37.66 2pnk n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2pnk s ASN 330 N -3.33 -0.03 0.27 1.20 0.01 -1.26 -5.01 114.94 106.79 2pnk s ASN 330 Ca 0.32 0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 52.59 2pnk s ASN 330 Cb -0.17 0.08 0.60 0.00 0.41 0.00 0.00 41.25 42.17 2pnk s ASN 330 CO 0.94 -0.09 1.62 -0.65 -1.51 0.00 0.00 177.10 177.40 2pnk h PRO 331 N 6.81 0.10 -0.97 -0.60 0.11 -1.98 0.11 132.00 135.59 2pnk h PRO 331 Ca -0.37 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.79 2pnk h PRO 331 Cb 1.16 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2pnk h PRO 331 CO 0.46 0.06 0.63 1.49 -0.21 0.00 0.00 178.00 180.44 2pnk h GLU 332 N 0.10 1.13 0.17 1.05 4.57 -1.99 -0.54 114.58 119.06 2pnk h GLU 332 Ca 0.50 -0.07 -0.29 0.00 -1.18 0.00 0.00 59.36 58.32 2pnk h GLU 332 Cb 0.97 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2pnk h GLU 332 CO -0.74 0.75 -1.40 0.82 -1.18 0.00 0.00 179.01 177.25 2pnk h ILE 333 N 1.16 1.14 -0.90 2.32 2.04 -1.25 -2.85 117.51 119.18 2pnk h ILE 333 Ca 0.41 -2.51 0.18 0.00 1.00 0.00 0.00 64.86 63.94 2pnk h ILE 333 Cb 0.11 2.88 -0.11 0.00 -0.74 0.00 0.00 36.82 38.97 2pnk h ILE 333 CO -0.15 0.77 0.46 0.40 0.00 0.00 0.00 178.15 179.63 2pnk h ILE 334 N -0.13 0.64 0.12 -0.67 2.04 -1.07 -2.80 117.51 115.64 2pnk h ILE 334 Ca -0.28 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2pnk h ILE 334 Cb 1.90 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2pnk h ILE 334 CO 0.15 0.11 -0.06 -1.13 0.00 0.00 0.00 178.15 177.22 2pnk h ASN 335 N 0.58 -0.14 0.00 1.72 -1.24 -1.10 -1.09 115.58 114.32 2pnk h ASN 335 Ca 0.52 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2pnk h ASN 335 Cb 0.84 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.93 2pnk h ASN 335 CO -0.42 0.23 0.00 -1.84 -1.29 0.00 0.00 177.43 174.11 2pnk n GLU 336 N -5.00 0.24 0.00 6.67 0.28 -1.06 -2.06 120.64 119.73 2pnk n GLU 336 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 2pnk n GLU 336 Cb 0.22 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.78 2pnk n GLU 336 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2pnk n THR 338 N 0.76 0.00 0.43 3.84 -1.04 -0.41 -4.62 114.28 113.24 2pnk n THR 338 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2pnk n THR 338 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 2pnk n THR 338 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pnk n ARG 339 N 0.00 0.43 -0.43 -2.82 1.74 -0.87 -4.60 116.66 110.11 2pnk n ARG 339 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2pnk n ARG 339 Cb 0.00 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2pnk n ARG 339 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pnk n ARG 341 N 0.63 -0.48 0.00 5.56 1.74 -1.26 -5.02 116.66 117.83 2pnk n ARG 341 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2pnk n ARG 341 Cb 0.18 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2pnk n ARG 341 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2pnk n GLU 343 N -0.40 -0.72 0.00 5.56 1.02 -1.26 -3.67 120.64 121.17 2pnk n GLU 343 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2pnk n GLU 343 Cb 0.02 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2pnk n GLU 343 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pnk n LEU 345 N 0.00 0.00 0.00 -4.62 4.77 -1.26 -5.16 117.00 110.73 2pnk n LEU 345 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pnk n LEU 345 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pnk n LEU 345 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pnk n GLY 346 N 0.00 3.61 1.02 -0.72 0.00 -1.24 -2.06 105.19 105.80 2pnk n GLY 346 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.04 2pnk n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pnk n THR 347 N 0.00 1.46 -1.30 2.61 -2.24 -1.26 -4.74 114.28 108.81 2pnk n THR 347 Ca 0.00 -1.22 -0.23 0.00 -2.27 0.00 0.00 64.05 60.34 2pnk n THR 347 Cb 0.00 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 0.62 6.31 -3.72 3.42 3.41 -0.87 -4.72 113.62 118.07 2pnk n SER 348 Ca 0.19 -3.08 -0.11 0.00 -0.26 0.00 0.00 58.87 55.61 2pnk n SER 348 Cb 0.66 -1.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.34 2pnk n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pnk s PHE 349 N -1.39 0.64 -0.40 7.33 -0.71 -1.26 -4.82 117.98 117.36 2pnk s PHE 349 Ca 0.53 -0.96 -0.04 0.00 -1.04 0.00 0.00 56.93 55.42 2pnk s PHE 349 Cb 0.34 0.08 0.10 0.00 -1.21 0.00 0.00 43.02 42.33 2pnk s PHE 349 CO -0.15 -1.04 0.20 0.42 -1.34 0.00 0.00 175.22 173.31 2pnk s ILE 350 N -3.63 3.46 0.50 -4.49 1.01 -1.03 -4.67 121.20 112.36 2pnk s ILE 350 Ca 0.26 -1.86 0.16 0.00 0.00 0.00 0.00 60.65 59.21 2pnk s ILE 350 Cb -0.00 -3.28 0.25 0.00 0.01 0.00 0.00 42.46 39.43 2pnk s ILE 350 CO 0.13 -0.60 2.10 1.55 0.00 0.00 0.00 174.94 178.12 2pnk h PRO 351 N 8.13 0.00 -3.06 2.79 0.13 -1.86 -1.36 132.00 136.76 2pnk h PRO 351 Ca -0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 2pnk h PRO 351 Cb 1.06 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.04 2pnk h PRO 351 CO 0.70 0.06 -0.04 -1.14 -0.23 0.00 0.00 178.00 177.35 2pnk s GLN 352 N -4.93 1.02 0.19 0.86 2.00 -1.26 -3.69 119.66 113.85 2pnk s GLN 352 Ca -0.05 -0.44 -0.06 0.00 -2.00 0.00 0.00 55.36 52.82 2pnk s GLN 352 Cb 0.17 0.46 -0.02 0.00 0.80 0.00 0.00 33.01 34.41 2pnk s GLN 352 CO 0.68 -0.38 0.24 -3.38 -0.50 0.00 0.00 175.29 171.95 2pnk s HIS 353 N -2.93 0.76 -0.19 1.67 -3.43 -1.26 -4.66 115.29 105.24 2pnk s HIS 353 Ca -0.02 -1.07 0.17 0.00 -0.80 0.00 0.00 55.06 53.34 2pnk s HIS 353 Cb 0.00 -0.26 -0.25 0.00 -1.43 0.00 0.00 32.58 30.64 2pnk s HIS 353 CO -0.06 -0.73 0.11 -1.13 -2.00 0.00 0.00 174.74 170.93 2pnk n SER 354 N -0.26 0.10 -2.30 7.38 3.41 -1.23 -4.73 113.62 115.99 2pnk n SER 354 Ca -0.02 0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 2pnk n SER 354 Cb 0.64 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.47 2pnk n SER 354 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pnk n ASP 355 N -2.78 -3.73 -4.69 4.04 8.00 0.22 -4.89 116.55 112.72 2pnk n ASP 355 Ca -0.32 0.22 -0.45 0.00 0.71 0.00 0.00 54.79 54.95 2pnk n ASP 355 Cb 1.15 -3.22 -0.04 0.00 -0.02 0.00 0.00 41.12 38.99 2pnk n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk n ALA 356 N -1.89 1.89 -0.02 2.24 0.00 -1.26 -4.30 120.51 117.17 2pnk n ALA 356 Ca -0.14 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.80 2pnk n ALA 356 Cb 0.58 -2.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 2pnk n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk n ARG 357 N 3.67 0.64 -4.73 0.00 1.74 -1.26 0.45 116.66 117.17 2pnk n ARG 357 Ca 0.17 -0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 2pnk n ARG 357 Cb 0.31 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 2pnk n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnk s VAL 358 N -3.17 1.80 0.24 1.55 1.01 -1.26 -4.31 120.40 116.26 2pnk s VAL 358 Ca -0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 2pnk s VAL 358 Cb 0.11 -1.60 0.33 0.00 0.00 0.00 0.00 36.38 35.22 2pnk s VAL 358 CO 0.75 0.50 1.58 0.25 0.00 0.00 0.00 175.10 178.18 2pnk h LEU 359 N 7.17 -0.93 -2.22 3.92 5.85 -1.25 -0.05 115.31 127.81 2pnk h LEU 359 Ca -0.29 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2pnk h LEU 359 Cb 1.20 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 2pnk h LEU 359 CO 0.51 -0.29 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.93 2pnk h GLU 360 N -0.02 0.00 -0.44 1.25 3.07 -1.94 -2.39 114.58 114.11 2pnk h GLU 360 Ca 0.38 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.37 2pnk h GLU 360 Cb 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2pnk h GLU 360 CO -0.88 0.06 0.44 1.96 -1.40 0.00 0.00 179.01 179.19 2pnk h GLN 361 N 0.00 0.00 -0.41 2.33 4.20 -1.40 -0.79 115.11 119.04 2pnk h GLN 361 Ca -0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2pnk h GLN 361 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2pnk h GLN 361 CO 0.01 0.00 0.29 -0.07 -0.67 0.00 0.00 178.83 178.39 2pnk h LEU 362 N 0.00 0.03 0.50 1.46 3.38 -1.60 0.26 115.31 119.33 2pnk h LEU 362 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2pnk h LEU 362 Cb 1.08 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pnk h LEU 362 CO -0.00 0.01 -0.24 0.40 0.09 0.00 0.00 178.44 178.70 2pnk h ILE 363 N 0.03 0.40 -0.16 1.22 2.04 -1.38 -2.54 117.51 117.12 2pnk h ILE 363 Ca 0.20 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 2pnk h ILE 363 Cb 0.75 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2pnk h ILE 363 CO -0.01 0.05 -0.61 0.10 0.00 0.00 0.00 178.15 177.69 2pnk h TYR 364 N -0.94 0.72 -0.22 1.37 -0.00 -1.61 -1.38 116.97 114.90 2pnk h TYR 364 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 58.73 58.39 2pnk h TYR 364 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 36.73 37.20 2pnk h TYR 364 CO 0.00 1.02 0.14 0.87 -0.00 0.00 0.00 178.16 180.20 2pnk h LYS 365 N 0.41 0.29 0.01 0.10 1.79 -1.01 0.16 116.57 118.32 2pnk h LYS 365 Ca -0.01 -0.02 -0.24 0.00 -2.18 0.00 0.00 60.65 58.21 2pnk h LYS 365 Cb 1.17 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.76 2pnk h LYS 365 CO 0.11 0.19 -0.98 -1.49 -1.08 0.00 0.00 179.45 176.20 2pnk h TRP 366 N 0.29 0.69 -0.34 -1.35 4.06 -1.43 -2.58 115.95 115.29 2pnk h TRP 366 Ca 0.08 -0.38 -0.05 0.00 2.06 0.00 0.00 58.89 60.60 2pnk h TRP 366 Cb -0.03 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 2pnk h TRP 366 CO -0.06 1.21 0.03 0.45 -3.56 0.00 0.00 178.44 176.51 2pnk h HIS 367 N 0.25 0.63 -0.44 0.49 3.86 -1.11 0.17 115.15 119.01 2pnk h HIS 367 Ca -0.09 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 58.95 2pnk h HIS 367 Cb 1.63 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.91 2pnk h HIS 367 CO 0.07 0.67 0.01 0.45 0.86 0.00 0.00 177.93 179.99 2pnk h HIS 368 N 0.41 0.83 -0.10 2.45 3.86 -1.04 -2.60 115.15 118.97 2pnk h HIS 368 Ca 0.10 -0.14 -0.20 0.00 -1.16 0.00 0.00 60.37 58.97 2pnk h HIS 368 Cb 0.40 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 28.66 2pnk h HIS 368 CO 0.03 0.82 -0.71 0.77 0.86 0.00 0.00 177.93 179.69 2pnk h SER 369 N 0.61 0.79 -0.75 2.45 0.02 -1.40 -3.16 113.55 112.11 2pnk h SER 369 Ca 0.13 -0.67 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2pnk h SER 369 Cb 0.48 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2pnk h SER 369 CO 0.02 1.34 0.50 0.11 -1.14 0.00 0.00 176.83 177.65 2pnk h LYS 370 N 0.31 0.90 -0.42 3.45 1.57 -0.58 -0.02 116.57 121.78 2pnk h LYS 370 Ca -0.06 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 2pnk h LYS 370 Cb 1.36 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2pnk h LYS 370 CO 0.15 0.60 -0.19 0.66 -0.57 0.00 0.00 179.45 180.09 2pnk h SER 371 N 0.93 0.83 -0.12 0.86 4.64 -1.45 0.12 113.55 119.36 2pnk h SER 371 Ca 0.30 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2pnk h SER 371 Cb 0.03 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2pnk h SER 371 CO -0.08 1.01 -0.10 0.40 -0.87 0.00 0.00 176.83 177.18 2pnk h ILE 372 N 0.72 1.35 -0.75 0.95 2.04 -1.44 -2.57 117.51 117.81 2pnk h ILE 372 Ca 0.10 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 2pnk h ILE 372 Cb 0.71 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2pnk h ILE 372 CO 0.05 0.36 0.31 0.40 0.00 0.00 0.00 178.15 179.28 2pnk h ILE 373 N -0.11 1.25 -0.47 -0.67 2.04 -0.85 -2.27 117.51 116.43 2pnk h ILE 373 Ca 0.02 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.15 2pnk h ILE 373 Cb 0.62 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2pnk h ILE 373 CO 0.03 0.31 0.27 0.00 0.00 0.00 0.00 178.15 178.76 2pnk h ALA 374 N 1.26 0.60 -0.56 1.87 0.00 -0.72 -0.60 119.26 121.11 2pnk h ALA 374 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2pnk h ALA 374 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2pnk h ALA 374 CO -0.02 -0.06 0.13 0.93 0.00 0.00 0.00 179.25 180.24 2pnk h GLU 375 N 0.53 0.86 -0.04 0.00 4.39 -1.00 0.34 114.58 119.66 2pnk h GLU 375 Ca 0.20 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2pnk h GLU 375 Cb 0.05 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2pnk h GLU 375 CO -0.11 0.77 0.02 0.28 -1.16 0.00 0.00 179.01 178.81 2pnk h VAL 376 N 0.83 1.15 -0.60 3.13 2.07 -0.86 -1.98 116.25 119.98 2pnk h VAL 376 Ca 0.18 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.37 2pnk h VAL 376 Cb 0.30 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 2pnk h VAL 376 CO -0.00 0.12 0.18 -0.07 0.02 0.00 0.00 177.57 177.82 2pnk h LEU 377 N -0.10 0.12 -0.33 2.57 3.38 -0.67 -1.02 115.31 119.26 2pnk h LEU 377 Ca 0.01 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 377 Cb 0.18 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2pnk h LEU 377 CO -0.00 0.07 0.17 0.40 0.09 0.00 0.00 178.44 179.17 2pnk h ILE 378 N 0.33 0.99 -0.43 1.22 2.04 -0.76 0.15 117.51 121.06 2pnk h ILE 378 Ca 0.31 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2pnk h ILE 378 Cb 0.43 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2pnk h ILE 378 CO -0.35 0.06 0.27 0.44 0.00 0.00 0.00 178.15 178.57 2pnk h ASP 379 N 0.34 0.50 -0.33 1.72 3.32 -0.75 0.09 116.42 121.31 2pnk h ASP 379 Ca 0.14 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 2pnk h ASP 379 Cb 0.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2pnk h ASP 379 CO -0.09 0.39 -0.39 0.11 -1.72 0.00 0.00 179.24 177.53 2pnk h LYS 380 N 0.57 0.86 -0.40 3.56 6.56 -0.83 -1.57 116.57 125.32 2pnk h LYS 380 Ca 0.15 -0.48 -0.09 0.00 -1.06 0.00 0.00 60.65 59.18 2pnk h LYS 380 Cb -0.03 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 2pnk h LYS 380 CO -0.03 1.12 -0.11 1.88 -2.06 0.00 0.00 179.45 180.24 2pnk h TYR 381 N 0.65 0.88 -0.76 -1.35 0.05 -0.66 -3.06 116.97 112.72 2pnk h TYR 381 Ca 0.05 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.64 2pnk h TYR 381 Cb 0.99 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.48 2pnk h TYR 381 CO 0.07 0.92 0.50 0.22 -1.05 0.00 0.00 178.16 178.81 2pnk h ASP 382 N 0.59 0.88 -0.40 3.88 3.58 -0.83 -0.68 116.42 123.45 2pnk h ASP 382 Ca 0.10 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2pnk h ASP 382 Cb 0.64 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2pnk h ASP 382 CO 0.04 0.64 0.14 0.44 -2.88 0.00 0.00 179.24 177.63 2pnk h ASP 383 N 1.04 0.62 0.58 2.28 3.32 -1.19 0.29 116.42 123.36 2pnk h ASP 383 Ca 0.28 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.96 2pnk h ASP 383 Cb -0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2pnk h ASP 383 CO -0.06 0.60 -1.37 0.16 -1.72 0.00 0.00 179.24 176.85 2pnk h ILE 384 N 0.67 1.34 -0.45 0.35 3.07 -1.37 -2.88 117.51 118.24 2pnk h ILE 384 Ca 0.16 -2.96 0.08 0.00 1.55 0.00 0.00 64.86 63.69 2pnk h ILE 384 Cb 0.21 2.83 -0.07 0.00 -0.27 0.00 0.00 36.82 39.51 2pnk h ILE 384 CO -0.01 0.85 0.01 0.25 -1.05 0.00 0.00 178.15 178.20 2pnk h LEU 385 N 0.06 -0.17 -1.10 0.16 5.85 -0.92 -1.49 115.31 117.71 2pnk h LEU 385 Ca -0.18 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2pnk h LEU 385 Cb 1.97 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.18 2pnk h LEU 385 CO 0.17 -0.05 -0.27 1.56 -0.34 0.00 0.00 178.44 179.52 2pnk h GLN 386 N 0.12 0.00 0.00 1.25 1.08 -1.00 -1.57 115.11 114.99 2pnk h GLN 386 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2pnk h GLN 386 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2pnk h GLN 386 CO -0.36 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 177.78 2pnk n ALA 387 N -2.25 2.49 0.00 3.87 0.00 -0.65 -4.90 120.51 119.07 2pnk n ALA 387 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pnk n ALA 387 Cb 0.44 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2pnk n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnk n GLY 388 N 0.89 0.70 3.75 0.00 0.00 -0.59 -5.07 105.19 104.87 2pnk n GLY 388 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2pnk n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pnk s TRP 389 N -2.00 3.92 -0.35 1.61 -0.11 -0.70 -4.99 118.94 116.32 2pnk s TRP 389 Ca 0.00 1.88 -0.21 0.00 1.22 0.00 0.00 56.10 58.98 2pnk s TRP 389 Cb 0.00 -3.02 0.00 0.00 -1.50 0.00 0.00 33.47 28.95 2pnk s TRP 389 CO 0.00 0.33 0.69 -2.00 -4.62 0.00 0.00 176.95 171.35 2pnk s GLU 390 N -0.94 3.73 -0.24 5.86 2.12 -1.26 -4.09 118.70 123.87 2pnk s GLU 390 Ca 0.43 0.17 -0.17 0.00 0.36 0.00 0.00 54.97 55.76 2pnk s GLU 390 Cb -0.26 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 2pnk s GLU 390 CO 0.32 -0.76 0.45 0.08 -0.54 0.00 0.00 175.26 174.81 2pnk s VAL 391 N 2.84 5.13 0.22 3.70 1.01 -1.26 -5.08 120.40 126.96 2pnk s VAL 391 Ca 0.27 0.78 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2pnk s VAL 391 Cb -0.14 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2pnk s VAL 391 CO 0.15 0.16 0.39 0.42 0.00 0.00 0.00 175.10 176.22 2pnk s THR 392 N 1.92 5.22 0.38 3.92 -4.23 -1.26 -4.40 115.64 117.18 2pnk s THR 392 Ca 0.20 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 2pnk s THR 392 Cb -0.15 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.11 2pnk s THR 392 CO 0.09 -0.24 1.95 -0.08 -0.54 0.00 0.00 174.62 175.80 2pnk h GLU 393 N 1.71 0.44 -0.33 3.99 4.81 -1.99 -1.70 114.58 121.50 2pnk h GLU 393 Ca -0.49 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 2pnk h GLU 393 Cb 1.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2pnk h GLU 393 CO 0.66 0.43 -0.12 0.93 -0.73 0.00 0.00 179.01 180.18 2pnk h GLU 394 N 0.43 0.58 -0.42 1.92 4.39 -1.99 -1.25 114.58 118.23 2pnk h GLU 394 Ca 0.10 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2pnk h GLU 394 Cb 0.21 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2pnk h GLU 394 CO 0.00 0.69 -0.32 0.93 -1.16 0.00 0.00 179.01 179.15 2pnk h GLU 395 N 0.53 0.96 -0.18 2.33 5.08 -1.83 -1.26 114.58 120.21 2pnk h GLU 395 Ca 0.10 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2pnk h GLU 395 Cb 0.52 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2pnk h GLU 395 CO 0.03 1.13 0.12 0.82 -1.00 0.00 0.00 179.01 180.11 2pnk h ILE 396 N 0.80 1.04 -0.69 3.13 2.04 -0.98 -0.71 117.51 122.15 2pnk h ILE 396 Ca 0.08 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2pnk h ILE 396 Cb 0.91 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2pnk h ILE 396 CO 0.08 0.04 0.25 0.11 0.00 0.00 0.00 178.15 178.64 2pnk h LYS 397 N 0.24 1.03 0.31 2.37 1.57 -1.12 -0.66 116.57 120.31 2pnk h LYS 397 Ca 0.07 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2pnk h LYS 397 Cb -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2pnk h LYS 397 CO -0.02 0.85 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.45 2pnk h ARG 398 N 1.00 -0.44 -0.39 3.15 2.43 -1.03 -0.50 114.38 118.60 2pnk h ARG 398 Ca 0.23 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2pnk h ARG 398 Cb 0.22 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 2pnk h ARG 398 CO -0.02 -0.29 0.17 -0.44 -1.51 0.00 0.00 179.97 177.88 2pnk h ASP 399 N -0.46 0.23 -0.64 -3.80 3.32 -0.75 -0.68 116.42 113.64 2pnk h ASP 399 Ca -0.04 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2pnk h ASP 399 Cb 0.37 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2pnk h ASP 399 CO 0.05 0.17 0.14 0.58 -1.72 0.00 0.00 179.24 178.46 2pnk h VAL 400 N 0.36 1.26 -0.87 -1.35 2.07 -1.12 -1.01 116.25 115.58 2pnk h VAL 400 Ca 0.17 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2pnk h VAL 400 Cb 0.11 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2pnk h VAL 400 CO -0.14 0.36 0.56 0.00 0.02 0.00 0.00 177.57 178.38 2pnk h ALA 401 N 1.05 1.16 0.21 1.67 0.00 -0.58 -0.76 119.26 122.01 2pnk h ALA 401 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2pnk h ALA 401 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2pnk h ALA 401 CO 0.01 0.40 -0.10 -0.44 0.00 0.00 0.00 179.25 179.12 2pnk h ASP 402 N 1.09 -0.24 -0.76 0.00 3.32 -0.57 0.16 116.42 119.41 2pnk h ASP 402 Ca 0.35 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.40 2pnk h ASP 402 Cb 0.02 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2pnk h ASP 402 CO -0.12 -0.13 0.48 -0.07 -1.72 0.00 0.00 179.24 177.68 2pnk h LEU 403 N -0.34 0.78 0.00 1.55 3.38 -0.92 -1.22 115.31 118.55 2pnk h LEU 403 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pnk h LEU 403 Cb 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pnk h LEU 403 CO 0.05 0.53 -0.95 0.49 0.09 0.00 0.00 178.44 178.65 2pnk n PHE 404 N -4.63 0.05 0.12 1.13 3.72 -0.32 -4.28 117.46 113.25 2pnk n PHE 404 Ca 0.09 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2pnk n PHE 404 Cb 0.10 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2pnk n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pnk n SER 405 N -1.63 -1.41 0.13 4.37 2.88 -0.05 -1.93 113.62 115.99 2pnk n SER 405 Ca 0.03 0.45 -0.01 0.00 -1.33 0.00 0.00 58.87 58.02 2pnk n SER 405 Cb 0.36 1.47 0.13 0.00 -0.75 0.00 0.00 64.21 65.43 2pnk n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2pnk h ARG 406 N 0.00 0.00 -0.87 -1.46 3.08 -0.65 -2.94 114.38 111.54 2pnk h ARG 406 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pnk h ARG 406 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2pnk h ARG 406 CO 0.00 0.64 0.54 -0.91 -1.07 0.00 0.00 179.97 179.17 2pnk h ASN 407 N 0.00 1.04 0.48 7.04 2.35 -1.45 -0.51 115.58 124.52 2pnk h ASN 407 Ca -0.01 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2pnk h ASN 407 Cb 1.22 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2pnk h ASN 407 CO 0.08 0.78 -0.23 0.15 -1.65 0.00 0.00 177.43 176.57 2pnk h PHE 408 N 1.20 -0.59 -0.41 1.19 3.57 -1.76 -1.68 116.94 118.46 2pnk h PHE 408 Ca 0.32 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 2pnk h PHE 408 Cb -0.08 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2pnk h PHE 408 CO -0.00 -0.32 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.24 2pnk h TRP 409 N -0.74 0.70 -0.38 0.41 4.06 -1.44 -0.37 115.95 118.20 2pnk h TRP 409 Ca -0.07 -0.09 -0.03 0.00 2.06 0.00 0.00 58.89 60.76 2pnk h TRP 409 Cb 0.54 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 2pnk h TRP 409 CO -0.02 0.68 0.12 -0.09 -3.56 0.00 0.00 178.44 175.57 2pnk h ARG 410 N 0.62 0.59 -0.29 0.49 2.43 -1.07 -1.67 114.38 115.48 2pnk h ARG 410 Ca 0.12 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2pnk h ARG 410 Cb 0.43 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2pnk h ARG 410 CO 0.02 0.60 -0.00 0.35 -1.51 0.00 0.00 179.97 179.43 2pnk h PHE 411 N 0.46 0.56 0.00 2.20 3.57 -0.80 -2.86 116.94 120.07 2pnk h PHE 411 Ca 0.12 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2pnk h PHE 411 Cb 0.26 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2pnk h PHE 411 CO 0.01 0.66 0.00 1.33 -2.23 0.00 0.00 178.31 178.07 2pnk n VAL 412 N -4.58 0.06 -2.70 1.41 0.24 -0.19 -4.88 118.33 107.69 2pnk n VAL 412 Ca -0.03 0.01 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 2pnk n VAL 412 Cb 0.26 -0.54 0.03 0.00 -1.47 0.00 0.00 33.84 32.12 2pnk n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pnk n GLY 413 N 1.19 0.36 3.17 7.63 0.00 -0.71 -4.83 105.19 112.00 2pnk n GLY 413 Ca 0.13 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2pnk n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk n ARG 414 N -1.96 0.51 -4.43 1.61 1.74 -0.74 -5.07 116.66 108.32 2pnk n ARG 414 Ca -0.03 -3.02 -0.29 0.00 -0.77 0.00 0.00 57.85 53.74 2pnk n ARG 414 Cb 0.53 2.63 -0.13 0.00 -1.02 0.00 0.00 32.46 34.48 2pnk n ARG 414 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2pnk s ASN 415 N -3.19 3.27 0.88 0.55 0.01 -1.26 -4.46 114.94 110.74 2pnk s ASN 415 Ca 0.34 -0.73 -0.13 0.00 -0.71 0.00 0.00 52.86 51.63 2pnk s ASN 415 Cb 0.01 -0.22 0.13 0.00 0.41 0.00 0.00 41.25 41.57 2pnk s ASN 415 CO 0.24 0.18 1.20 1.51 -1.51 0.00 0.00 177.10 178.72 2pnk s ASP 416 N -1.98 3.80 0.27 -1.22 1.47 -1.26 -4.69 116.67 113.06 2pnk s ASP 416 Ca 0.13 0.72 -0.01 0.00 1.18 0.00 0.00 52.55 54.57 2pnk s ASP 416 Cb -0.10 -1.13 0.61 0.00 -0.34 0.00 0.00 42.92 41.96 2pnk s ASP 416 CO 0.06 -2.34 1.64 -0.74 0.68 0.00 0.00 175.17 174.46 2pnk h HIS 417 N -1.36 0.16 0.00 2.11 -0.00 -1.90 -0.96 115.15 113.20 2pnk h HIS 417 Ca -0.47 0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 59.82 2pnk h HIS 417 Cb 1.31 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.76 2pnk h HIS 417 CO -0.10 -0.24 -0.65 0.28 -0.00 0.00 0.00 177.93 177.22 2pnk h VAL 418 N 0.15 1.29 0.00 5.26 2.07 -1.92 -3.28 116.25 119.82 2pnk h VAL 418 Ca 0.50 -2.38 -0.21 0.00 0.82 0.00 0.00 66.70 65.43 2pnk h VAL 418 Cb 0.98 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 2pnk h VAL 418 CO -0.69 0.64 -1.05 0.74 0.02 0.00 0.00 177.57 177.24 2pnk h THR 419 N 0.00 1.65 0.00 2.57 2.02 -1.62 -3.55 112.91 113.99 2pnk h THR 419 Ca -0.01 -3.37 0.00 0.00 0.77 0.00 0.00 66.41 63.80 2pnk h THR 419 Cb 1.30 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 2pnk h THR 419 CO 0.08 0.94 0.00 -1.20 0.37 0.00 0.00 175.52 175.72