#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s SER 2 N 0.00 6.50 -0.44 1.61 1.04 -1.26 -5.16 113.70 115.99 2pnk s SER 2 Ca 0.00 0.64 -0.25 0.00 0.48 0.00 0.00 55.95 56.82 2pnk s SER 2 Cb 0.00 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 64.03 2pnk s SER 2 CO 0.00 -0.00 0.90 -0.63 0.98 0.00 0.00 173.24 174.49 2pnk s ILE 3 N -1.74 4.52 -0.09 -1.02 1.01 -1.26 -4.92 121.20 117.70 2pnk s ILE 3 Ca 0.42 0.81 0.14 0.00 0.00 0.00 0.00 60.65 62.03 2pnk s ILE 3 Cb -0.12 -4.39 -0.08 0.00 0.01 0.00 0.00 42.46 37.88 2pnk s ILE 3 CO 0.25 -0.74 1.10 -0.55 0.00 0.00 0.00 174.94 175.00 2pnk h ASN 4 N 8.92 0.00 -5.20 3.58 -1.07 -1.99 -3.48 115.58 116.35 2pnk h ASN 4 Ca -0.24 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.04 2pnk h ASN 4 Cb 1.08 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.20 2pnk h ASN 4 CO 1.01 0.65 -0.30 -0.94 0.07 0.00 0.00 177.43 177.91 2pnk s SER 5 N -6.19 0.04 0.37 6.14 1.04 -1.26 -5.03 113.70 108.81 2pnk s SER 5 Ca 0.00 -0.72 0.09 0.00 0.48 0.00 0.00 55.95 55.81 2pnk s SER 5 Cb 0.08 0.41 0.73 0.00 0.10 0.00 0.00 66.02 67.34 2pnk s SER 5 CO 0.79 -0.83 1.88 -0.09 0.98 0.00 0.00 173.24 175.97 2pnk h ARG 6 N 2.60 0.21 -0.51 4.02 2.43 -1.98 -1.37 114.38 119.77 2pnk h ARG 6 Ca -0.33 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 2pnk h ARG 6 Cb 1.22 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2pnk h ARG 6 CO 0.51 0.41 0.17 0.93 -1.51 0.00 0.00 179.97 180.48 2pnk h GLU 7 N 0.20 0.79 -0.13 0.20 3.07 -1.99 0.70 114.58 117.41 2pnk h GLU 7 Ca 0.04 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.68 2pnk h GLU 7 Cb 0.47 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2pnk h GLU 7 CO 0.03 0.72 -0.12 0.28 -1.40 0.00 0.00 179.01 178.52 2pnk h VAL 8 N 0.70 1.35 -0.65 3.13 2.07 -1.92 -2.92 116.25 118.00 2pnk h VAL 8 Ca 0.17 -1.27 0.11 0.00 0.82 0.00 0.00 66.70 66.53 2pnk h VAL 8 Cb 0.25 1.91 -0.12 0.00 -1.52 0.00 0.00 31.29 31.81 2pnk h VAL 8 CO -0.01 0.37 -0.35 0.25 0.02 0.00 0.00 177.57 177.85 2pnk h LEU 9 N -0.08 -1.22 -1.01 2.57 5.85 -1.21 -1.77 115.31 118.45 2pnk h LEU 9 Ca 0.02 0.24 0.10 0.00 0.84 0.00 0.00 57.88 59.08 2pnk h LEU 9 Cb 0.64 0.61 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 2pnk h LEU 9 CO 0.03 -0.30 0.64 0.00 -0.34 0.00 0.00 178.44 178.47 2pnk h ALA 10 N 1.03 1.48 -0.03 1.25 0.00 -0.78 0.36 119.26 122.58 2pnk h ALA 10 Ca 0.25 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 2pnk h ALA 10 Cb 0.56 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2pnk h ALA 10 CO -0.72 0.30 -0.91 0.93 0.00 0.00 0.00 179.25 178.85 2pnk h GLU 11 N 1.06 0.50 -0.34 0.00 4.39 -1.26 -1.41 114.58 117.52 2pnk h GLU 11 Ca 0.48 -0.50 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2pnk h GLU 11 Cb 0.38 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2pnk h GLU 11 CO -0.24 1.14 0.06 0.87 -1.16 0.00 0.00 179.01 179.68 2pnk h LYS 12 N 0.30 0.56 -0.32 2.33 1.57 -0.88 -1.36 116.57 118.77 2pnk h LYS 12 Ca -0.08 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2pnk h LYS 12 Cb 1.53 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 2pnk h LYS 12 CO 0.16 0.63 0.11 0.28 -0.57 0.00 0.00 179.45 180.07 2pnk h VAL 13 N 0.40 1.19 -0.79 0.50 2.07 -0.93 -1.31 116.25 117.38 2pnk h VAL 13 Ca 0.10 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2pnk h VAL 13 Cb 0.34 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2pnk h VAL 13 CO 0.01 0.21 0.33 0.11 0.02 0.00 0.00 177.57 178.24 2pnk h LYS 14 N 0.36 1.17 -0.41 1.57 1.57 -1.23 -0.22 116.57 119.38 2pnk h LYS 14 Ca 0.10 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2pnk h LYS 14 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2pnk h LYS 14 CO -0.01 0.94 0.07 -0.91 -0.57 0.00 0.00 179.45 178.98 2pnk h ASN 15 N 1.15 0.65 -0.21 0.86 2.35 -1.19 0.13 115.58 119.31 2pnk h ASN 15 Ca 0.27 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2pnk h ASN 15 Cb 0.19 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2pnk h ASN 15 CO -0.02 0.74 0.12 0.00 -1.65 0.00 0.00 177.43 176.61 2pnk h ALA 16 N 0.94 0.27 -0.43 -0.83 0.00 -0.88 -0.34 119.26 117.98 2pnk h ALA 16 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2pnk h ALA 16 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pnk h ALA 16 CO 0.01 -0.21 0.09 0.28 0.00 0.00 0.00 179.25 179.42 2pnk h VAL 17 N 0.25 1.24 -0.55 0.00 2.07 -1.04 -1.62 116.25 116.60 2pnk h VAL 17 Ca 0.08 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2pnk h VAL 17 Cb 0.04 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2pnk h VAL 17 CO -0.01 0.30 0.34 -1.13 0.02 0.00 0.00 177.57 177.09 2pnk h ASN 18 N 0.57 0.57 1.22 0.57 -0.00 -0.85 -3.09 115.58 114.57 2pnk h ASN 18 Ca 0.13 -0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.35 2pnk h ASN 18 Cb 0.35 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.53 2pnk h ASN 18 CO 0.01 0.41 -0.36 0.78 -0.00 0.00 0.00 177.43 178.26 2pnk h ASN 19 N 0.69 0.00 -2.60 1.15 2.35 -0.87 -3.45 115.58 112.84 2pnk h ASN 19 Ca 0.21 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.41 2pnk h ASN 19 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2pnk h ASN 19 CO -0.08 0.36 1.11 -1.58 -1.65 0.00 0.00 177.43 175.60 2pnk s GLN 20 N -3.31 4.11 0.17 0.81 2.00 -0.62 -4.96 119.66 117.84 2pnk s GLN 20 Ca 0.02 2.14 -0.31 0.00 -2.00 0.00 0.00 55.36 55.21 2pnk s GLN 20 Cb 0.09 -4.01 -0.09 0.00 0.80 0.00 0.00 33.01 29.80 2pnk s GLN 20 CO 0.70 -0.94 1.42 -2.14 -0.50 0.00 0.00 175.29 173.83 2pnk s PRO 21 N 4.19 4.30 0.00 1.67 0.02 -1.26 -4.94 135.00 138.99 2pnk s PRO 21 Ca 0.74 2.17 -0.18 0.00 0.02 0.00 0.00 61.00 63.75 2pnk s PRO 21 Cb -0.33 -3.19 -0.06 0.00 0.02 0.00 0.00 34.50 30.95 2pnk s PRO 21 CO 0.30 -0.43 0.52 0.08 -0.33 0.00 0.00 177.00 177.14 2pnk s VAL 22 N 0.70 4.93 -0.25 3.83 1.01 -0.35 -4.67 120.40 125.60 2pnk s VAL 22 Ca 0.63 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 63.53 2pnk s VAL 22 Cb -0.39 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2pnk s VAL 22 CO 0.34 0.49 0.39 -0.89 0.00 0.00 0.00 175.10 175.44 2pnk s THR 23 N -0.59 5.17 0.42 3.92 2.01 -0.37 -0.97 115.64 125.23 2pnk s THR 23 Ca 0.27 0.64 0.08 0.00 0.31 0.00 0.00 61.69 62.99 2pnk s THR 23 Cb -0.18 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2pnk s THR 23 CO 0.16 0.18 0.56 -0.62 -0.69 0.00 0.00 174.62 174.21 2pnk s ASP 24 N 1.43 5.60 -0.33 3.53 -1.08 0.21 -4.70 116.67 121.32 2pnk s ASP 24 Ca 0.17 -0.46 -0.29 0.00 -0.52 0.00 0.00 52.55 51.45 2pnk s ASP 24 Cb -0.15 -0.63 -0.13 0.00 -1.46 0.00 0.00 42.92 40.55 2pnk s ASP 24 CO 0.09 -0.76 1.39 1.57 0.52 0.00 0.00 175.17 177.97 2pnk n HIS 26 N -1.83 0.80 -4.27 -5.34 -0.00 -1.26 -1.32 115.22 102.00 2pnk n HIS 26 Ca 0.08 0.53 -0.15 0.00 -0.00 0.00 0.00 57.72 58.18 2pnk n HIS 26 Cb 0.59 -1.51 -0.10 0.00 -0.00 0.00 0.00 29.99 28.97 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 3.81 0.20 -0.29 3.57 -4.23 -0.64 -1.21 115.64 116.86 2pnk s THR 27 Ca 0.79 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.38 2pnk s THR 27 Cb -0.99 -2.54 0.48 0.00 1.34 0.00 0.00 72.50 70.79 2pnk s THR 27 CO 0.45 0.00 1.40 1.41 -0.54 0.00 0.00 174.62 177.33 2pnk n HIS 28 N -0.42 1.17 -3.25 3.99 8.25 0.13 -2.34 115.22 122.75 2pnk n HIS 28 Ca 0.02 -1.75 -0.22 0.00 -0.26 0.00 0.00 57.72 55.52 2pnk n HIS 28 Cb 0.65 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -3.33 3.84 0.07 2.41 1.43 -1.16 -4.65 118.68 117.29 2pnk s LEU 29 Ca 0.45 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2pnk s LEU 29 Cb 0.40 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2pnk s LEU 29 CO -0.01 -0.53 -0.11 -0.36 0.23 0.00 0.00 176.35 175.57 2pnk s PHE 30 N -2.37 0.99 0.25 0.29 0.08 -1.26 -4.37 117.98 111.59 2pnk s PHE 30 Ca 0.45 -0.54 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 2pnk s PHE 30 Cb -0.10 -0.56 -0.13 0.00 -0.57 0.00 0.00 43.02 41.66 2pnk s PHE 30 CO 0.35 -0.01 1.42 0.45 -0.10 0.00 0.00 175.22 177.33 2pnk n SER 31 N 1.09 2.88 0.25 1.36 2.88 -1.26 -4.81 113.62 116.00 2pnk n SER 31 Ca -0.20 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.65 2pnk n SER 31 Cb 0.55 -1.45 0.86 0.00 -0.75 0.00 0.00 64.21 63.43 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 4.19 0.00 0.00 -1.46 0.13 -1.93 -0.32 132.00 132.61 2pnk h PRO 32 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2pnk h PRO 32 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2pnk h PRO 32 CO 0.75 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.79 2pnk n ASN 33 N -3.83 0.00 0.00 1.44 6.94 -1.26 -2.09 115.26 116.46 2pnk n ASN 33 Ca -0.00 0.50 0.12 0.00 -0.02 0.00 0.00 54.58 55.17 2pnk n ASN 33 Cb 0.22 -0.50 0.68 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.50 0.00 -4.05 -2.53 3.01 -0.13 -5.02 117.46 107.24 2pnk n PHE 34 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2pnk n PHE 34 Cb 0.12 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 0.63 0.18 0.15 1.37 0.00 -0.89 -4.18 105.19 102.45 2pnk n GLY 35 Ca 0.16 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2pnk n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pnk n GLU 36 N 7.80 0.16 0.16 1.61 -0.58 -1.26 -2.11 120.64 126.42 2pnk n GLU 36 Ca 0.00 0.55 0.13 0.00 -0.42 0.00 0.00 57.16 57.42 2pnk n GLU 36 Cb 0.00 -1.92 0.52 0.00 -0.57 0.00 0.00 31.44 29.47 2pnk n GLU 36 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2pnk h ILE 37 N 0.00 0.00 -3.07 -3.67 3.07 -1.94 -3.37 117.51 108.53 2pnk h ILE 37 Ca 0.00 -0.31 -0.55 0.00 1.55 0.00 0.00 64.86 65.55 2pnk h ILE 37 Cb 0.14 1.12 -0.06 0.00 -0.27 0.00 0.00 36.82 37.74 2pnk h ILE 37 CO 0.00 0.00 1.04 -0.22 -1.05 0.00 0.00 178.15 177.92 2pnk s LEU 38 N -4.82 3.46 0.06 0.16 2.96 -0.90 -4.76 118.68 114.84 2pnk s LEU 38 Ca 0.04 0.31 -0.23 0.00 -0.22 0.00 0.00 54.13 54.02 2pnk s LEU 38 Cb 0.09 -3.19 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 2pnk s LEU 38 CO 0.44 -1.57 0.71 -0.76 -1.32 0.00 0.00 176.35 173.85 2pnk s LEU 39 N 5.50 4.48 0.04 -0.68 1.43 -1.26 -5.01 118.68 123.17 2pnk s LEU 39 Ca 0.50 1.40 -0.27 0.00 -1.03 0.00 0.00 54.13 54.72 2pnk s LEU 39 Cb -0.10 -3.13 0.07 0.00 0.03 0.00 0.00 46.19 43.06 2pnk s LEU 39 CO 0.27 0.10 0.64 -1.66 0.23 0.00 0.00 176.35 175.93 2pnk s TRP 40 N -0.42 -0.60 0.00 0.29 1.48 -1.26 -0.66 118.94 117.76 2pnk s TRP 40 Ca 0.35 0.79 0.00 0.00 -1.06 0.00 0.00 56.10 56.18 2pnk s TRP 40 Cb -0.20 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 2pnk s TRP 40 CO 0.22 -0.71 0.00 -0.40 -4.06 0.00 0.00 176.95 172.00 2pnk n ASP 41 N 0.38 0.00 0.08 -2.66 5.68 -1.26 -4.61 116.55 114.16 2pnk n ASP 41 Ca -0.18 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.10 2pnk n ASP 41 Cb 0.60 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.86 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 1.25 -0.48 2.12 6.09 -1.95 -0.90 117.51 123.64 2pnk h ILE 42 Ca 0.00 -1.18 -0.11 0.00 -1.37 0.00 0.00 64.86 62.20 2pnk h ILE 42 Cb 0.00 1.42 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 2pnk h ILE 42 CO 0.00 0.36 -0.14 0.44 -3.07 0.00 0.00 178.15 175.74 2pnk h ASP 43 N 0.27 0.91 -0.46 2.19 3.32 -1.95 -2.16 116.42 118.54 2pnk h ASP 43 Ca 0.04 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2pnk h ASP 43 Cb 0.61 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2pnk h ASP 43 CO 0.04 1.05 0.09 -0.33 -1.72 0.00 0.00 179.24 178.37 2pnk h GLU 44 N 0.81 0.75 -0.73 3.56 4.39 -1.71 -2.39 114.58 119.25 2pnk h GLU 44 Ca 0.12 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2pnk h GLU 44 Cb 0.68 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 2pnk h GLU 44 CO 0.05 0.76 0.43 -0.07 -1.16 0.00 0.00 179.01 179.02 2pnk h LEU 45 N 0.62 0.66 -0.40 1.33 3.38 -1.02 -2.04 115.31 117.84 2pnk h LEU 45 Ca 0.14 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 45 Cb 0.36 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2pnk h LEU 45 CO 0.01 0.43 -0.66 -0.07 0.09 0.00 0.00 178.44 178.24 2pnk h LEU 46 N 0.80 0.00 -1.62 1.67 3.38 -1.37 -3.14 115.31 115.02 2pnk h LEU 46 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2pnk h LEU 46 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pnk h LEU 46 CO -0.17 0.66 0.00 0.35 0.09 0.00 0.00 178.44 179.37 2pnk n THR 47 N -3.48 0.21 -1.48 0.22 -2.24 -0.91 -4.67 114.28 101.94 2pnk n THR 47 Ca 0.00 -0.48 -0.47 0.00 -2.27 0.00 0.00 64.05 60.83 2pnk n THR 47 Cb 0.72 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.87 0.23 0.29 4.78 9.36 -0.79 -4.65 117.16 127.25 2pnk n TYR 48 Ca 0.17 0.87 0.16 0.00 3.32 0.00 0.00 57.90 62.41 2pnk n TYR 48 Cb 0.48 -2.08 0.88 0.00 -0.63 0.00 0.00 39.34 37.99 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 1.49 0.00 -0.73 2.98 2.07 -1.92 0.15 115.15 119.19 2pnk h HIS 49 Ca -0.33 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.19 2pnk h HIS 49 Cb 1.40 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.34 2pnk h HIS 49 CO 0.45 0.05 0.48 1.88 -3.07 0.00 0.00 177.93 177.71 2pnk h TYR 50 N 0.00 0.92 0.00 6.12 -1.99 -1.94 -2.08 116.97 118.00 2pnk h TYR 50 Ca -0.00 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 2pnk h TYR 50 Cb 0.16 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 2pnk h TYR 50 CO 0.00 0.58 -0.93 -0.07 -0.00 0.00 0.00 178.16 177.75 2pnk h LEU 51 N 0.99 0.00 -0.12 3.88 3.38 -1.27 -2.94 115.31 119.23 2pnk h LEU 51 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2pnk h LEU 51 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2pnk h LEU 51 CO -0.06 0.48 0.06 0.58 0.09 0.00 0.00 178.44 179.60 2pnk h VAL 52 N 0.00 1.10 -0.53 1.22 2.07 -1.20 0.40 116.25 119.31 2pnk h VAL 52 Ca -0.07 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2pnk h VAL 52 Cb 1.43 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 2pnk h VAL 52 CO 0.05 0.09 0.25 0.00 0.02 0.00 0.00 177.57 177.98 2pnk h ALA 53 N 0.96 0.68 -0.39 1.67 0.00 -1.46 -3.09 119.26 117.63 2pnk h ALA 53 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 53 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pnk h ALA 53 CO -0.01 -0.11 -0.23 0.93 0.00 0.00 0.00 179.25 179.84 2pnk h GLU 54 N 0.49 0.84 -2.11 0.00 5.08 -1.32 -3.22 114.58 114.34 2pnk h GLU 54 Ca 0.24 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2pnk h GLU 54 Cb 0.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2pnk h GLU 54 CO -0.18 1.02 0.04 1.55 -1.00 0.00 0.00 179.01 180.44 2pnk n VAL 55 N -4.21 0.63 0.00 3.13 3.14 0.11 -3.96 118.33 117.17 2pnk n VAL 55 Ca -0.02 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2pnk n VAL 55 Cb 0.45 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 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 2.01 0.00 -0.04 1.45 1.74 -1.22 -1.04 116.66 119.57 2pnk n ARG 57 Ca 0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 2pnk n ARG 57 Cb 0.16 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.57 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 -2.78 -1.55 7.02 -1.25 -5.08 117.44 113.79 2pnk n TRP 58 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 2pnk n TRP 58 Cb 0.00 -0.29 -0.07 0.00 -2.42 0.00 0.00 31.31 28.54 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 -2.15 4.29 -0.41 -0.99 -1.32 -0.21 -4.96 115.64 109.89 2pnk s THR 59 Ca -0.10 1.55 0.26 0.00 -1.21 0.00 0.00 61.69 62.18 2pnk s THR 59 Cb 0.03 -3.70 0.33 0.00 -1.51 0.00 0.00 72.50 67.65 2pnk s THR 59 CO 0.17 -0.19 1.73 0.44 -2.21 0.00 0.00 174.62 174.56 2pnk h ASP 60 N 2.22 0.00 -2.81 8.08 3.32 -1.98 -3.46 116.42 121.80 2pnk h ASP 60 Ca -0.48 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.04 2pnk h ASP 60 Cb 1.19 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.78 2pnk h ASP 60 CO 0.62 0.00 0.89 -0.69 -1.72 0.00 0.00 179.24 178.34 2pnk s VAL 61 N -3.28 2.57 0.67 -1.35 1.01 -1.26 -4.98 120.40 113.79 2pnk s VAL 61 Ca 0.06 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 2pnk s VAL 61 Cb 0.08 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2pnk s VAL 61 CO 0.61 0.03 1.11 -0.94 0.00 0.00 0.00 175.10 175.91 2pnk s SER 62 N 1.15 5.02 0.36 3.32 1.04 -1.26 -4.84 113.70 118.49 2pnk s SER 62 Ca 0.70 1.98 0.08 0.00 0.48 0.00 0.00 55.95 59.20 2pnk s SER 62 Cb -0.44 -2.55 0.69 0.00 0.10 0.00 0.00 66.02 63.82 2pnk s SER 62 CO 0.31 -1.69 1.87 -0.29 0.98 0.00 0.00 173.24 174.42 2pnk h ILE 63 N -0.11 1.21 0.02 -1.02 6.09 -1.96 0.73 117.51 122.45 2pnk h ILE 63 Ca -0.46 -0.92 -0.00 0.00 -1.37 0.00 0.00 64.86 62.10 2pnk h ILE 63 Cb 1.25 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.79 2pnk h ILE 63 CO 0.54 0.29 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.57 2pnk h GLU 64 N 0.27 -0.02 -0.95 2.19 3.07 -1.92 -2.11 114.58 115.11 2pnk h GLU 64 Ca 0.05 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2pnk h GLU 64 Cb 0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 2pnk h GLU 64 CO 0.03 0.30 0.63 0.00 -1.40 0.00 0.00 179.01 178.56 2pnk h ALA 65 N 0.63 1.33 -0.31 3.43 0.00 -1.85 -1.96 119.26 120.53 2pnk h ALA 65 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pnk h ALA 65 Cb 0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pnk h ALA 65 CO 0.00 0.63 0.21 0.35 0.00 0.00 0.00 179.25 180.43 2pnk h PHE 66 N 1.28 0.39 0.00 0.00 3.57 -0.73 -2.30 116.94 119.15 2pnk h PHE 66 Ca 0.35 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 2pnk h PHE 66 Cb -0.14 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 2pnk h PHE 66 CO -0.00 0.24 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.66 2pnk h TRP 67 N 0.42 0.00 0.00 0.41 -0.00 -1.03 -3.45 115.95 112.30 2pnk h TRP 67 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 58.89 58.74 2pnk h TRP 67 Cb -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.08 2pnk h TRP 67 CO -0.06 0.18 0.89 0.00 -0.00 0.00 0.00 178.44 179.45 2pnk n ALA 68 N -2.26 5.45 -2.21 1.49 0.00 -0.77 -5.06 120.51 117.16 2pnk n ALA 68 Ca -0.01 -1.83 -0.20 0.00 0.00 0.00 0.00 53.44 51.40 2pnk n ALA 68 Cb 0.33 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 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 2.41 5.13 0.17 0.00 1.04 -1.26 -5.09 113.70 116.10 2pnk s SER 70 Ca 0.53 -0.70 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2pnk s SER 70 Cb 0.21 -0.60 0.07 0.00 0.10 0.00 0.00 66.02 65.81 2pnk s SER 70 CO -0.01 -0.65 1.80 0.50 0.98 0.00 0.00 173.24 175.85 2pnk h LYS 71 N 0.99 0.52 -0.52 4.02 1.63 -1.97 -0.48 116.57 120.76 2pnk h LYS 71 Ca -0.41 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.25 2pnk h LYS 71 Cb 1.27 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 2pnk h LYS 71 CO 0.56 0.35 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.73 2pnk h ARG 72 N 0.54 0.96 -0.54 1.90 2.43 -1.98 0.36 114.38 118.05 2pnk h ARG 72 Ca 0.18 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2pnk h ARG 72 Cb 0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2pnk h ARG 72 CO -0.09 1.00 0.19 0.93 -1.51 0.00 0.00 179.97 180.49 2pnk h GLU 73 N 0.87 0.82 -0.55 0.20 5.08 -1.93 0.14 114.58 119.20 2pnk h GLU 73 Ca 0.14 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2pnk h GLU 73 Cb 0.63 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2pnk h GLU 73 CO 0.04 0.74 0.36 1.96 -1.00 0.00 0.00 179.01 181.11 2pnk h GLN 74 N 0.73 0.72 -0.35 2.33 4.20 -0.77 -0.84 115.11 121.14 2pnk h GLN 74 Ca 0.18 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2pnk h GLN 74 Cb 0.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2pnk h GLN 74 CO -0.01 0.48 0.04 0.00 -0.67 0.00 0.00 178.83 178.66 2pnk h ALA 75 N 1.21 0.47 -0.39 3.87 0.00 -0.66 -1.89 119.26 121.86 2pnk h ALA 75 Ca 0.20 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2pnk h ALA 75 Cb -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2pnk h ALA 75 CO -0.05 0.20 0.05 -0.44 0.00 0.00 0.00 179.25 179.01 2pnk h ASP 76 N 0.42 -0.05 -0.32 0.00 3.32 -0.50 -0.06 116.42 119.24 2pnk h ASP 76 Ca 0.10 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2pnk h ASP 76 Cb 0.40 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2pnk h ASP 76 CO 0.01 0.01 0.14 0.25 -1.72 0.00 0.00 179.24 177.93 2pnk h LEU 77 N 0.17 0.43 -0.82 1.55 5.85 -1.00 -1.33 115.31 120.17 2pnk h LEU 77 Ca 0.19 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2pnk h LEU 77 Cb 0.24 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2pnk h LEU 77 CO -0.27 0.47 0.34 0.40 -0.34 0.00 0.00 178.44 179.03 2pnk h ILE 78 N 0.37 1.26 0.04 4.05 2.04 -1.05 -0.32 117.51 123.90 2pnk h ILE 78 Ca 0.11 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 2pnk h ILE 78 Cb 0.16 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2pnk h ILE 78 CO -0.01 0.33 -0.02 -0.25 0.00 0.00 0.00 178.15 178.21 2pnk h TRP 79 N 1.18 -0.05 -0.31 1.37 2.91 -0.86 -1.06 115.95 119.13 2pnk h TRP 79 Ca 0.27 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.29 2pnk h TRP 79 Cb 0.20 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2pnk h TRP 79 CO 0.02 0.11 0.20 1.49 -1.03 0.00 0.00 178.44 179.23 2pnk h GLU 80 N -0.20 0.42 -0.01 2.65 4.57 -0.97 -1.61 114.58 119.42 2pnk h GLU 80 Ca -0.01 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 57.91 2pnk h GLU 80 Cb 0.18 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2pnk h GLU 80 CO 0.01 0.30 -0.94 0.93 -1.18 0.00 0.00 179.01 178.13 2pnk h GLU 81 N 0.41 0.47 0.00 1.92 4.39 -1.04 0.07 114.58 120.80 2pnk h GLU 81 Ca 0.11 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2pnk h GLU 81 Cb -0.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2pnk h GLU 81 CO -0.02 1.14 -1.37 1.28 -1.16 0.00 0.00 179.01 178.87 2pnk n LEU 82 N -3.77 0.40 0.00 1.33 4.77 -0.40 -3.82 117.00 115.51 2pnk n LEU 82 Ca -0.07 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2pnk n LEU 82 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2pnk n LEU 82 CO 0.52 0.10 -0.50 0.49 -1.33 0.00 0.00 177.39 176.67 2pnk n PHE 83 N -1.80 0.00 -0.08 -1.77 3.01 -0.64 -3.34 117.46 112.84 2pnk n PHE 83 Ca -0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 2pnk n PHE 83 Cb 0.39 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.74 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 -2.33 1.60 0.15 4.37 2.08 -1.00 -4.38 119.36 119.86 2pnk n ILE 84 Ca 0.00 -0.29 0.05 0.00 0.56 0.00 0.00 62.75 63.07 2pnk n ILE 84 Cb 0.50 -1.89 0.05 0.00 -0.75 0.00 0.00 39.64 37.54 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 -0.64 0.00 -4.54 0.38 1.57 -1.16 -3.45 116.57 108.73 2pnk h LYS 85 Ca -0.44 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.13 2pnk h LYS 85 Cb 1.59 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.76 2pnk h LYS 85 CO -0.16 0.37 -0.68 1.03 -0.57 0.00 0.00 179.45 179.45 2pnk s ARG 86 N -3.02 0.85 0.23 3.15 3.00 -1.25 -5.05 118.95 116.87 2pnk s ARG 86 Ca 0.04 -1.37 -0.30 0.00 0.00 0.00 0.00 55.73 54.11 2pnk s ARG 86 Cb 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 34.95 34.89 2pnk s ARG 86 CO 0.73 -0.11 1.08 -1.12 0.00 0.00 0.00 175.30 175.89 2pnk s SER 87 N -3.04 7.31 -1.27 0.23 0.01 -1.26 -3.40 113.70 112.28 2pnk s SER 87 Ca 0.15 2.16 -0.11 0.00 1.31 0.00 0.00 55.95 59.46 2pnk s SER 87 Cb 0.06 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2pnk s SER 87 CO -0.03 -0.14 2.42 -0.81 0.41 0.00 0.00 173.24 175.09 2pnk n PRO 88 N 1.69 2.75 0.04 12.44 -0.04 -1.21 -4.64 135.00 146.04 2pnk n PRO 88 Ca 0.00 -2.01 0.12 0.00 -0.04 0.00 0.00 63.50 61.57 2pnk n PRO 88 Cb 0.46 -2.81 0.22 0.00 -0.04 0.00 0.00 33.50 31.32 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 4.41 0.23 -0.94 0.52 0.24 -1.26 -3.11 118.33 118.42 2pnk n VAL 89 Ca 0.59 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.34 62.41 2pnk n VAL 89 Cb 0.26 -0.04 0.14 0.00 -1.47 0.00 0.00 33.84 32.73 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 -3.80 3.41 0.12 -1.34 1.04 -1.26 -4.75 113.70 107.13 2pnk s SER 90 Ca 0.08 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.29 2pnk s SER 90 Cb 0.15 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 2pnk s SER 90 CO 0.70 -2.75 1.64 -0.08 0.98 0.00 0.00 173.24 173.73 2pnk h GLU 91 N -1.63 0.58 -0.43 4.02 4.57 -1.97 0.76 114.58 120.49 2pnk h GLU 91 Ca -0.45 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 57.63 2pnk h GLU 91 Cb 1.26 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 2pnk h GLU 91 CO 0.47 0.60 0.23 0.00 -1.18 0.00 0.00 179.01 179.13 2pnk h ALA 92 N 0.96 0.54 0.03 2.92 0.00 -1.95 -0.55 119.26 121.20 2pnk h ALA 92 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pnk h ALA 92 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pnk h ALA 92 CO -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.11 2pnk h ARG 94 N -0.57 0.16 -0.70 0.00 2.43 -0.78 -1.18 114.38 113.74 2pnk h ARG 94 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2pnk h ARG 94 Cb 0.52 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2pnk h ARG 94 CO 0.01 0.11 0.27 0.78 -1.51 0.00 0.00 179.97 179.62 2pnk h GLY 95 N 0.16 1.11 1.01 2.80 0.00 -0.66 -0.39 103.07 107.10 2pnk h GLY 95 Ca 0.71 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2pnk h GLY 95 CO -0.71 0.56 0.60 -2.08 0.00 0.00 0.00 176.54 174.91 2pnk h VAL 96 N 1.01 1.24 -0.24 4.60 2.07 -1.00 -1.74 116.25 122.19 2pnk h VAL 96 Ca 0.23 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 2pnk h VAL 96 Cb 0.21 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2pnk h VAL 96 CO -0.02 0.24 -0.31 -0.07 0.02 0.00 0.00 177.57 177.43 2pnk h LEU 97 N 1.26 0.69 -0.66 2.57 3.38 -1.18 -2.46 115.31 118.92 2pnk h LEU 97 Ca 0.34 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2pnk h LEU 97 Cb -0.13 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 2pnk h LEU 97 CO -0.07 1.05 0.32 0.74 0.09 0.00 0.00 178.44 180.58 2pnk h THR 98 N 0.35 0.88 -0.04 0.22 2.02 -0.91 -1.05 112.91 114.38 2pnk h THR 98 Ca 0.03 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2pnk h THR 98 Cb 0.89 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2pnk h THR 98 CO 0.07 0.11 -0.04 0.00 0.37 0.00 0.00 175.52 176.02 2pnk h LEU 100 N -0.06 0.19 -0.38 0.00 3.38 -1.16 -1.16 115.31 116.12 2pnk h LEU 100 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 100 Cb 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pnk h LEU 100 CO -0.07 0.15 0.25 -0.61 0.09 0.00 0.00 178.44 178.25 2pnk h GLN 101 N 0.28 0.51 -0.43 1.13 4.15 -1.00 0.67 115.11 120.42 2pnk h GLN 101 Ca 0.11 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.56 2pnk h GLN 101 Cb 0.04 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2pnk h GLN 101 CO -0.08 0.34 0.29 0.78 -1.93 0.00 0.00 178.83 178.23 2pnk h GLY 102 N 0.52 0.42 0.42 2.39 0.00 -0.56 -0.00 103.07 106.26 2pnk h GLY 102 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pnk h GLY 102 CO -0.03 0.11 0.00 1.04 0.00 0.00 0.00 176.54 177.66 2pnk n LEU 103 N -4.48 0.45 0.00 3.11 4.77 -0.47 -4.89 117.00 115.49 2pnk n LEU 103 Ca 0.06 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2pnk n LEU 103 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2pnk n LEU 103 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2pnk n GLY 104 N 0.99 0.56 3.78 -0.72 0.00 -0.01 -5.05 105.19 104.73 2pnk n GLY 104 Ca 0.19 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 4.34 -0.53 0.99 1.43 0.18 -4.98 118.68 120.10 2pnk s LEU 105 Ca 0.00 0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 2pnk s LEU 105 Cb 0.00 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.85 2pnk s LEU 105 CO 0.00 0.20 0.79 -0.62 0.23 0.00 0.00 176.35 176.95 2pnk s ASP 106 N -0.20 6.28 0.38 2.29 -1.08 -1.26 -3.14 116.67 119.93 2pnk s ASP 106 Ca 0.19 -0.66 0.27 0.00 -0.52 0.00 0.00 52.55 51.84 2pnk s ASP 106 Cb -0.14 -2.36 1.30 0.00 -1.46 0.00 0.00 42.92 40.26 2pnk s ASP 106 CO 0.07 -1.07 1.83 -0.65 0.52 0.00 0.00 175.17 175.87 2pnk h PRO 107 N 9.17 0.00 -0.61 4.34 0.11 -1.91 -2.99 132.00 140.11 2pnk h PRO 107 Ca -0.27 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.86 2pnk h PRO 107 Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2pnk h PRO 107 CO 1.03 0.00 0.41 0.00 -0.21 0.00 0.00 178.00 179.23 2pnk h ALA 108 N 2.10 1.60 0.00 -0.75 0.00 -2.01 -2.77 119.26 117.43 2pnk h ALA 108 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2pnk h ALA 108 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2pnk h ALA 108 CO 0.00 0.35 -0.28 1.79 0.00 0.00 0.00 179.25 181.12 2pnk h THR 109 N 0.79 0.54 -3.11 0.00 1.35 -1.96 -3.47 112.91 107.04 2pnk h THR 109 Ca 0.23 -1.50 -0.35 0.00 -0.55 0.00 0.00 66.41 64.24 2pnk h THR 109 Cb -0.03 2.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 2pnk h THR 109 CO -0.06 0.27 -0.44 0.54 -0.25 0.00 0.00 175.52 175.59 2pnk n ARG 110 N -3.25 -1.84 -2.85 4.72 1.74 -1.05 -4.89 116.66 109.23 2pnk n ARG 110 Ca 0.02 0.87 -0.44 0.00 -0.77 0.00 0.00 57.85 57.53 2pnk n ARG 110 Cb 0.56 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 2pnk n ARG 110 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pnk n ASP 111 N -1.85 5.22 -0.06 0.55 -0.08 -1.26 -4.83 116.55 114.24 2pnk n ASP 111 Ca -0.21 -3.01 0.09 0.00 -1.51 0.00 0.00 54.79 50.15 2pnk n ASP 111 Cb 0.65 -1.54 0.46 0.00 2.34 0.00 0.00 41.12 43.03 2pnk n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2pnk h LEU 112 N 9.23 0.43 -0.41 -2.67 5.85 -1.98 -0.75 115.31 125.01 2pnk h LEU 112 Ca 0.33 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 2pnk h LEU 112 Cb 0.82 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2pnk h LEU 112 CO 1.31 0.28 -0.06 -0.61 -0.34 0.00 0.00 178.44 179.01 2pnk h GLN 113 N 0.49 0.76 -0.65 1.25 5.75 -2.00 -1.35 115.11 119.36 2pnk h GLN 113 Ca 0.24 -0.28 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2pnk h GLN 113 Cb 0.32 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2pnk h GLN 113 CO -0.07 0.88 0.16 0.28 -2.65 0.00 0.00 178.83 177.44 2pnk h VAL 114 N 0.59 1.26 -0.87 2.39 2.07 -1.60 -2.29 116.25 117.79 2pnk h VAL 114 Ca 0.11 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2pnk h VAL 114 Cb 0.58 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2pnk h VAL 114 CO 0.03 0.35 0.55 1.88 0.02 0.00 0.00 177.57 180.41 2pnk h TYR 115 N 0.97 1.02 -0.15 1.57 0.05 -1.09 -2.03 116.97 117.31 2pnk h TYR 115 Ca 0.21 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.95 2pnk h TYR 115 Cb 0.36 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2pnk h TYR 115 CO 0.03 0.53 -0.19 0.00 -1.05 0.00 0.00 178.16 177.47 2pnk h ARG 116 N 1.01 0.24 -0.69 4.88 3.08 -0.87 -2.77 114.38 119.26 2pnk h ARG 116 Ca 0.37 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 2pnk h ARG 116 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2pnk h ARG 116 CO -0.16 0.44 0.34 0.93 -1.07 0.00 0.00 179.97 180.44 2pnk h GLU 117 N 0.23 0.98 -0.40 0.04 5.08 -0.81 -2.78 114.58 116.91 2pnk h GLU 117 Ca 0.04 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2pnk h GLU 117 Cb 0.48 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2pnk h GLU 117 CO 0.03 0.75 0.02 -0.92 -1.00 0.00 0.00 179.01 177.89 2pnk h TYR 118 N 0.98 0.01 0.00 4.33 5.03 -1.34 -2.86 116.97 123.11 2pnk h TYR 118 Ca 0.24 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.48 2pnk h TYR 118 Cb 0.09 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 2pnk h TYR 118 CO 0.01 -0.06 -0.45 0.74 -1.32 0.00 0.00 178.16 177.08 2pnk h PHE 119 N 0.12 0.00 0.00 -3.82 0.04 -1.59 -3.01 116.94 108.69 2pnk h PHE 119 Ca 0.20 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 2pnk h PHE 119 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2pnk h PHE 119 CO -0.26 0.45 -0.22 0.00 -0.60 0.00 0.00 178.31 177.68 2pnk h ALA 120 N 1.55 1.16 0.00 2.45 0.00 -1.27 -3.07 119.26 120.08 2pnk h ALA 120 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2pnk h ALA 120 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pnk h ALA 120 CO 0.06 0.28 -0.04 1.63 0.00 0.00 0.00 179.25 181.18 2pnk n LYS 121 N -3.58 0.26 -4.18 0.00 5.02 -1.14 -4.91 118.16 109.63 2pnk n LYS 121 Ca -0.01 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.25 2pnk n LYS 121 Cb 0.36 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.10 2.67 0.51 1.97 1.02 -1.16 -5.14 119.74 116.51 2pnk s LYS 122 Ca 0.10 -1.15 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 2pnk s LYS 122 Cb 0.13 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2pnk s LYS 122 CO 0.60 0.40 0.75 0.95 -0.92 0.00 0.00 175.35 177.14 2pnk s THR 123 N -2.10 3.44 0.21 2.17 -4.23 -1.26 -4.99 115.64 108.87 2pnk s THR 123 Ca 0.32 -0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.25 2pnk s THR 123 Cb -0.08 -3.30 0.14 0.00 1.34 0.00 0.00 72.50 70.61 2pnk s THR 123 CO 0.22 -0.23 1.82 0.28 -0.54 0.00 0.00 174.62 176.18 2pnk h SER 124 N 0.17 0.62 -0.39 3.99 0.02 -1.97 -1.96 113.55 114.04 2pnk h SER 124 Ca -0.45 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 2pnk h SER 124 Cb 1.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2pnk h SER 124 CO 0.56 0.41 0.01 -0.33 -1.14 0.00 0.00 176.83 176.34 2pnk h GLU 125 N 0.76 0.69 -0.73 3.45 3.07 -1.95 -1.06 114.58 118.81 2pnk h GLU 125 Ca 0.29 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2pnk h GLU 125 Cb 0.12 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2pnk h GLU 125 CO -0.15 0.78 0.47 0.93 -1.40 0.00 0.00 179.01 179.64 2pnk h GLU 126 N 0.51 0.96 -0.10 2.33 5.08 -1.92 -2.28 114.58 119.16 2pnk h GLU 126 Ca 0.11 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 2pnk h GLU 126 Cb 0.46 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2pnk h GLU 126 CO 0.02 0.65 -0.53 0.37 -1.00 0.00 0.00 179.01 178.52 2pnk h GLN 127 N 0.99 0.28 -0.54 2.33 5.75 -1.14 -1.28 115.11 121.49 2pnk h GLN 127 Ca 0.26 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2pnk h GLN 127 Cb -0.10 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 2pnk h GLN 127 CO -0.06 0.74 0.18 0.28 -2.65 0.00 0.00 178.83 177.32 2pnk h VAL 128 N 0.22 1.23 0.18 2.39 2.07 -0.96 0.40 116.25 121.78 2pnk h VAL 128 Ca 0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2pnk h VAL 128 Cb 1.00 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2pnk h VAL 128 CO 0.08 0.29 -0.16 0.44 0.02 0.00 0.00 177.57 178.24 2pnk h ASP 129 N 0.74 -0.43 0.06 0.57 3.32 -1.23 -1.66 116.42 117.80 2pnk h ASP 129 Ca 0.17 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.28 2pnk h ASP 129 Cb 0.26 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2pnk h ASP 129 CO -0.01 -0.25 -0.16 0.74 -1.72 0.00 0.00 179.24 177.84 2pnk h THR 130 N -0.37 0.63 -0.41 0.35 2.02 -1.05 -1.41 112.91 112.67 2pnk h THR 130 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 2pnk h THR 130 Cb 0.34 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2pnk h THR 130 CO -0.03 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 176.16 2pnk h VAL 131 N -0.30 1.27 -0.57 3.16 2.07 -0.91 -1.27 116.25 119.71 2pnk h VAL 131 Ca 0.03 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 2pnk h VAL 131 Cb 0.33 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2pnk h VAL 131 CO -0.11 0.49 0.21 -0.07 0.02 0.00 0.00 177.57 178.11 2pnk h LEU 132 N 0.74 0.76 0.35 2.57 3.38 -1.26 0.31 115.31 122.15 2pnk h LEU 132 Ca 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2pnk h LEU 132 Cb 0.86 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2pnk h LEU 132 CO 0.08 0.69 -0.17 -0.61 0.09 0.00 0.00 178.44 178.52 2pnk h GLN 133 N 0.82 -0.45 -0.25 1.13 -0.00 -0.98 0.12 115.11 115.51 2pnk h GLN 133 Ca 0.19 0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.74 2pnk h GLN 133 Cb 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.75 2pnk h GLN 133 CO -0.02 -0.27 -0.41 -0.07 0.00 0.00 0.00 178.83 178.06 2pnk h LEU 134 N -0.50 0.62 -0.55 -2.39 3.38 -0.97 -2.51 115.31 112.40 2pnk h LEU 134 Ca -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2pnk h LEU 134 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pnk h LEU 134 CO 0.08 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.57 2pnk h ALA 135 N 1.07 1.00 -6.00 1.53 0.00 -0.44 -3.48 119.26 112.94 2pnk h ALA 135 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.56 2pnk h ALA 135 Cb 0.92 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.80 2pnk h ALA 135 CO 0.08 0.00 -0.87 -1.71 0.00 0.00 0.00 179.25 176.75 2pnk n ASN 136 N -2.86 -3.69 -4.22 0.00 5.15 0.34 -4.85 115.26 105.14 2pnk n ASN 136 Ca 0.03 -0.86 -0.34 0.00 -0.60 0.00 0.00 54.58 52.81 2pnk n ASN 136 Cb 0.41 -4.08 -0.15 0.00 -0.53 0.00 0.00 39.78 35.43 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 -3.54 2.72 0.02 3.44 1.01 -0.66 -1.21 120.40 122.17 2pnk s VAL 137 Ca 0.25 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2pnk s VAL 137 Cb -0.07 -2.20 -0.23 0.00 0.00 0.00 0.00 36.38 33.89 2pnk s VAL 137 CO 0.81 0.48 0.89 0.77 0.00 0.00 0.00 175.10 178.05 2pnk h SER 138 N 8.00 0.04 -3.21 3.32 4.64 -1.36 -3.44 113.55 121.53 2pnk h SER 138 Ca -0.43 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 60.60 2pnk h SER 138 Cb 1.15 -0.01 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 2pnk h SER 138 CO 0.62 1.05 -0.55 -1.81 -0.87 0.00 0.00 176.83 175.27 2pnk s ASP 139 N -6.39 0.09 -0.16 4.97 1.01 -1.15 -4.66 116.67 110.39 2pnk s ASP 139 Ca -0.03 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.68 2pnk s ASP 139 Cb 0.09 0.39 0.00 0.00 1.01 0.00 0.00 42.92 44.41 2pnk s ASP 139 CO 0.82 -0.19 -0.16 -0.69 0.21 0.00 0.00 175.17 175.16 2pnk s VAL 140 N 1.68 2.58 0.66 -1.27 1.01 0.59 -0.62 120.40 125.03 2pnk s VAL 140 Ca -0.05 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2pnk s VAL 140 Cb -0.11 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.28 2pnk s VAL 140 CO -0.07 0.52 0.91 -0.69 0.00 0.00 0.00 175.10 175.77 2pnk s VAL 141 N 0.86 2.29 -0.23 2.92 1.01 -0.43 -0.94 120.40 125.88 2pnk s VAL 141 Ca -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2pnk s VAL 141 Cb -0.15 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.66 2pnk s VAL 141 CO -0.01 0.00 0.09 -0.89 0.00 0.00 0.00 175.10 174.28 2pnk s THR 143 N -2.99 0.26 -0.31 3.92 2.01 -0.99 -1.62 115.64 115.93 2pnk s THR 143 Ca 0.63 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 2pnk s THR 143 Cb -0.07 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.45 2pnk s THR 143 CO 0.42 -0.45 0.11 0.20 -0.69 0.00 0.00 174.62 174.21 2pnk s ASN 144 N 1.96 5.28 -0.40 3.53 -0.87 0.11 -4.94 114.94 119.61 2pnk s ASN 144 Ca 0.04 -0.75 -0.05 0.00 -1.57 0.00 0.00 52.86 50.53 2pnk s ASN 144 Cb -0.17 -1.91 0.09 0.00 -0.02 0.00 0.00 41.25 39.24 2pnk s ASN 144 CO -0.19 -0.23 0.19 -0.62 -2.57 0.00 0.00 177.10 173.68 2pnk s ASP 145 N 1.51 5.33 0.62 -1.22 -1.08 -1.26 -0.87 116.67 119.70 2pnk s ASP 145 Ca 0.02 -1.72 0.30 0.00 -0.52 0.00 0.00 52.55 50.63 2pnk s ASP 145 Cb -0.18 -1.87 1.60 0.00 -1.46 0.00 0.00 42.92 41.02 2pnk s ASP 145 CO 0.04 -0.50 1.97 -0.65 0.52 0.00 0.00 175.17 176.54 2pnk h PRO 146 N 8.17 0.00 0.00 4.34 0.11 -1.98 -1.64 132.00 141.00 2pnk h PRO 146 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2pnk h PRO 146 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pnk h PRO 146 CO 0.69 0.00 -0.30 1.19 -0.21 0.00 0.00 178.00 179.38 2pnk n PHE 147 N -3.43 0.37 -2.72 0.65 3.72 -1.26 -4.67 117.46 110.11 2pnk n PHE 147 Ca 0.03 0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 57.11 2pnk n PHE 147 Cb 0.47 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 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 -3.70 6.39 0.33 4.37 -1.08 -0.62 -4.90 116.67 117.46 2pnk s ASP 148 Ca 0.10 -0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.07 2pnk s ASP 148 Cb 0.16 -2.49 0.79 0.00 -1.46 0.00 0.00 42.92 39.92 2pnk s ASP 148 CO 0.64 -1.34 1.81 0.44 0.52 0.00 0.00 175.17 177.23 2pnk h ASP 149 N 9.42 0.72 -0.46 -0.34 3.32 -1.86 -0.41 116.42 126.81 2pnk h ASP 149 Ca -0.26 0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.88 2pnk h ASP 149 Cb 1.07 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2pnk h ASP 149 CO 1.13 0.29 0.30 0.78 -1.72 0.00 0.00 179.24 180.02 2pnk h ASN 150 N 0.72 0.49 0.10 6.45 2.35 -1.95 -3.05 115.58 120.69 2pnk h ASN 150 Ca 0.54 -0.01 -0.36 0.00 -0.55 0.00 0.00 56.30 55.92 2pnk h ASN 150 Cb 0.89 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 2pnk h ASN 150 CO -0.31 0.35 -1.98 1.21 -1.65 0.00 0.00 177.43 175.05 2pnk n GLU 151 N -4.47 0.73 -0.27 0.81 2.13 -0.60 -4.30 120.64 114.67 2pnk n GLU 151 Ca 0.04 0.28 0.15 0.00 0.66 0.00 0.00 57.16 58.29 2pnk n GLU 151 Cb 0.09 -1.69 0.42 0.00 0.27 0.00 0.00 31.44 30.53 2pnk n GLU 151 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2pnk h ARG 152 N -0.07 0.58 -0.63 5.31 2.43 -1.06 -1.05 114.38 119.89 2pnk h ARG 152 Ca -0.44 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 58.82 2pnk h ARG 152 Cb 1.93 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 31.23 2pnk h ARG 152 CO 0.03 0.39 -0.23 0.82 -1.51 0.00 0.00 179.97 179.47 2pnk h ILE 153 N 0.60 0.27 -0.80 1.20 2.04 -1.72 0.20 117.51 119.31 2pnk h ILE 153 Ca 0.47 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.36 2pnk h ILE 153 Cb 0.90 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2pnk h ILE 153 CO -0.22 0.00 0.52 0.28 0.00 0.00 0.00 178.15 178.73 2pnk h SER 154 N -0.06 0.87 0.05 1.72 0.02 -1.42 0.14 113.55 114.87 2pnk h SER 154 Ca 0.29 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2pnk h SER 154 Cb 0.51 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2pnk h SER 154 CO -0.68 0.62 -0.02 -0.50 -1.14 0.00 0.00 176.83 175.10 2pnk h TRP 155 N 1.03 -0.06 -1.00 3.45 4.06 -1.38 -1.75 115.95 120.29 2pnk h TRP 155 Ca 0.31 -0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.45 2pnk h TRP 155 Cb -0.05 0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 28.02 2pnk h TRP 155 CO -0.02 0.30 0.60 -0.07 -3.56 0.00 0.00 178.44 175.68 2pnk h LEU 156 N -0.43 0.76 0.00 -4.49 3.38 -0.25 0.89 115.31 115.18 2pnk h LEU 156 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pnk h LEU 156 Cb 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2pnk h LEU 156 CO 0.01 0.26 0.00 -0.62 0.09 0.00 0.00 178.44 178.18 2pnk n GLU 157 N -4.78 0.63 -1.03 1.13 -0.58 0.45 -4.86 120.64 111.60 2pnk n GLU 157 Ca 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.96 2pnk n GLU 157 Cb 0.58 -1.42 -0.00 0.00 -0.57 0.00 0.00 31.44 30.03 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pnk n GLY 158 N 0.23 0.49 3.77 0.62 0.00 0.31 -5.01 105.19 105.60 2pnk n GLY 158 Ca 0.13 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2pnk n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnk s LYS 159 N -1.05 4.35 -0.06 1.61 1.02 -0.67 -5.04 119.74 119.91 2pnk s LYS 159 Ca 0.00 1.78 0.04 0.00 0.02 0.00 0.00 55.97 57.80 2pnk s LYS 159 Cb 0.00 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2pnk s LYS 159 CO 0.00 -0.04 -0.16 -0.65 -0.92 0.00 0.00 175.35 173.58 2pnk s GLN 160 N -1.95 2.58 0.55 1.68 -1.52 -1.26 -4.63 119.66 115.12 2pnk s GLN 160 Ca 0.51 -0.73 -0.21 0.00 -1.95 0.00 0.00 55.36 52.98 2pnk s GLN 160 Cb -0.30 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 2pnk s GLN 160 CO 0.38 0.54 1.31 -1.25 -0.25 0.00 0.00 175.29 176.02 2pnk s PRO 161 N -0.53 3.11 0.99 2.91 0.04 -1.26 -4.99 135.00 135.28 2pnk s PRO 161 Ca 0.07 2.11 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2pnk s PRO 161 Cb -0.11 -2.18 0.19 0.00 0.04 0.00 0.00 34.50 32.43 2pnk s PRO 161 CO 0.01 -1.17 1.08 0.16 0.04 0.00 0.00 177.00 177.13 2pnk s ASP 162 N -1.14 2.45 0.15 6.66 1.47 -1.26 -4.87 116.67 120.13 2pnk s ASP 162 Ca 0.73 1.70 0.20 0.00 1.18 0.00 0.00 52.55 56.36 2pnk s ASP 162 Cb -0.37 -2.33 0.84 0.00 -0.34 0.00 0.00 42.92 40.71 2pnk s ASP 162 CO 0.43 -3.31 1.62 -1.54 0.68 0.00 0.00 175.17 173.05 2pnk n SER 163 N -4.34 0.40 0.03 2.11 3.41 -1.26 -1.45 113.62 112.52 2pnk n SER 163 Ca 0.07 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2pnk n SER 163 Cb 0.54 -0.68 0.51 0.00 -0.26 0.00 0.00 64.21 64.32 2pnk n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pnk n ARG 164 N -1.94 0.09 -4.91 4.33 1.74 -1.26 -4.80 116.66 109.90 2pnk n ARG 164 Ca 0.03 0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.85 2pnk n ARG 164 Cb 0.21 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 29.91 2pnk n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2pnk s PHE 165 N -3.04 2.73 0.09 -1.55 0.40 -0.53 -0.30 117.98 115.79 2pnk s PHE 165 Ca 0.12 -0.71 0.10 0.00 -0.60 0.00 0.00 56.93 55.84 2pnk s PHE 165 Cb 0.17 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2pnk s PHE 165 CO 0.57 -0.24 -0.26 -1.01 0.70 0.00 0.00 175.22 174.98 2pnk s HIS 166 N 0.26 2.28 0.32 0.36 3.76 -0.12 -4.65 115.29 117.50 2pnk s HIS 166 Ca -0.11 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 2pnk s HIS 166 Cb -0.16 -1.30 -0.09 0.00 1.11 0.00 0.00 32.58 32.14 2pnk s HIS 166 CO 0.06 0.23 0.80 0.00 -0.85 0.00 0.00 174.74 174.98 2pnk s ALA 167 N -0.94 3.28 -0.03 -1.40 0.00 -1.26 -4.38 121.76 117.03 2pnk s ALA 167 Ca 0.13 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2pnk s ALA 167 Cb -0.10 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.15 2pnk s ALA 167 CO 0.04 0.28 0.05 0.00 0.00 0.00 0.00 175.76 176.12 2pnk s ALA 168 N -1.86 0.10 -0.47 0.00 0.00 -1.26 -1.08 121.76 117.19 2pnk s ALA 168 Ca 0.52 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 2pnk s ALA 168 Cb -0.13 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2pnk s ALA 168 CO 0.18 -0.23 1.06 -1.17 0.00 0.00 0.00 175.76 175.60 2pnk s LEU 169 N 1.43 3.77 -0.09 0.00 2.96 -0.76 -0.72 118.68 125.27 2pnk s LEU 169 Ca -0.05 0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.99 2pnk s LEU 169 Cb -0.13 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2pnk s LEU 169 CO -0.03 -1.17 0.74 -0.60 -1.32 0.00 0.00 176.35 173.97 2pnk s ARG 170 N 4.18 4.40 0.00 1.98 3.52 -0.05 -0.74 118.95 132.23 2pnk s ARG 170 Ca 0.44 0.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.00 2pnk s ARG 170 Cb -0.08 -3.49 0.08 0.00 -1.56 0.00 0.00 34.95 29.90 2pnk s ARG 170 CO 0.29 -0.05 0.92 1.28 -0.81 0.00 0.00 175.30 176.93 2pnk n LEU 171 N 4.19 1.96 -0.25 -0.88 4.77 -0.23 -4.53 117.00 122.04 2pnk n LEU 171 Ca 0.00 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 2pnk n LEU 171 Cb 0.51 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.62 2pnk n LEU 171 CO 0.47 0.47 0.71 0.44 -1.33 0.00 0.00 177.39 178.15 2pnk h ASP 172 N 0.77 -0.74 -0.30 -1.43 5.19 -1.93 -0.56 116.42 117.42 2pnk h ASP 172 Ca 0.00 0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 2pnk h ASP 172 Cb 0.43 0.47 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 2pnk h ASP 172 CO 0.00 -0.25 0.07 -0.65 -3.12 0.00 0.00 179.24 175.29 2pnk h PRO 173 N -0.02 0.57 -0.04 3.56 0.11 -1.94 0.32 132.00 134.56 2pnk h PRO 173 Ca 0.33 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 2pnk h PRO 173 Cb 0.53 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2pnk h PRO 173 CO -0.74 0.54 -0.03 1.25 -0.21 0.00 0.00 178.00 178.81 2pnk h LEU 174 N 0.56 0.10 0.22 2.35 5.85 -1.47 -2.54 115.31 120.39 2pnk h LEU 174 Ca 0.13 -0.45 -0.33 0.00 0.84 0.00 0.00 57.88 58.06 2pnk h LEU 174 Cb 0.25 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.28 2pnk h LEU 174 CO 0.00 0.53 -1.52 -0.07 -0.34 0.00 0.00 178.44 177.05 2pnk h LEU 175 N -0.33 0.74 0.00 2.25 3.38 -0.92 -3.21 115.31 117.22 2pnk h LEU 175 Ca 0.01 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2pnk h LEU 175 Cb 0.50 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2pnk h LEU 175 CO 0.01 1.68 -1.43 0.59 0.09 0.00 0.00 178.44 179.38 2pnk n ASN 176 N -3.66 0.44 -2.66 -0.43 3.02 0.11 -3.67 115.26 108.41 2pnk n ASN 176 Ca -0.18 -0.10 -0.01 0.00 -0.03 0.00 0.00 54.58 54.27 2pnk n ASN 176 Cb 1.09 1.26 0.05 0.00 -0.61 0.00 0.00 39.78 41.56 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 -2.18 1.67 -0.35 3.52 1.02 -0.96 -4.94 120.64 118.42 2pnk n GLU 177 Ca -0.01 -3.40 0.03 0.00 -0.02 0.00 0.00 57.16 53.76 2pnk n GLU 177 Cb 0.50 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.61 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 2.43 1.13 -0.65 -0.32 3.20 -1.55 -1.29 116.97 119.93 2pnk h TYR 178 Ca -0.12 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.87 2pnk h TYR 178 Cb 1.34 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 2pnk h TYR 178 CO 0.49 0.55 0.43 1.49 -1.64 0.00 0.00 178.16 179.48 2pnk h GLU 179 N 1.08 0.53 0.15 1.82 4.57 -1.90 0.48 114.58 121.32 2pnk h GLU 179 Ca 0.44 -0.03 -0.28 0.00 -1.18 0.00 0.00 59.36 58.31 2pnk h GLU 179 Cb 0.25 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2pnk h GLU 179 CO -0.20 0.35 -1.36 1.96 -1.18 0.00 0.00 179.01 178.59 2pnk h GLN 180 N 0.55 0.32 -0.05 1.92 7.50 -1.76 -3.39 115.11 120.20 2pnk h GLN 180 Ca 0.29 -0.54 -0.11 0.00 0.50 0.00 0.00 58.65 58.79 2pnk h GLN 180 Cb 0.43 0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 2pnk h GLN 180 CO -0.09 1.26 -0.49 1.15 -1.50 0.00 0.00 178.83 179.16 2pnk h THR 181 N -0.19 1.35 -0.58 -0.54 2.02 -0.43 -2.89 112.91 111.64 2pnk h THR 181 Ca -0.27 -1.69 0.12 0.00 0.77 0.00 0.00 66.41 65.33 2pnk h THR 181 Cb 1.84 1.85 -0.11 0.00 -1.74 0.00 0.00 68.15 69.99 2pnk h THR 181 CO 0.13 0.49 -0.15 1.17 0.37 0.00 0.00 175.52 177.53 2pnk n LYS 182 N -3.96 -0.05 -0.10 6.66 4.81 0.16 -1.39 118.16 124.28 2pnk n LYS 182 Ca -0.02 0.90 -0.11 0.00 -0.87 0.00 0.00 58.31 58.22 2pnk n LYS 182 Cb 0.52 -1.35 0.02 0.00 0.02 0.00 0.00 35.03 34.24 2pnk n LYS 182 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2pnk h HIS 183 N 0.00 1.02 -0.18 5.64 3.86 -1.75 -1.71 115.15 122.03 2pnk h HIS 183 Ca 0.28 -0.28 -0.21 0.00 -1.16 0.00 0.00 60.37 58.99 2pnk h HIS 183 Cb 0.42 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 28.67 2pnk h HIS 183 CO -0.45 1.08 -0.70 0.00 0.86 0.00 0.00 177.93 178.72 2pnk h ARG 184 N 0.72 0.76 -0.57 2.45 3.08 -1.39 -2.32 114.38 117.11 2pnk h ARG 184 Ca 0.07 -0.58 0.07 0.00 0.07 0.00 0.00 59.98 59.62 2pnk h ARG 184 Cb 0.91 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.00 2pnk h ARG 184 CO 0.08 1.19 0.24 -0.07 -1.07 0.00 0.00 179.97 180.35 2pnk h LEU 185 N 0.54 0.29 -0.34 3.04 3.38 -1.14 -1.75 115.31 119.32 2pnk h LEU 185 Ca -0.03 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2pnk h LEU 185 Cb 1.32 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 2pnk h LEU 185 CO 0.14 0.19 -0.09 0.03 0.09 0.00 0.00 178.44 178.80 2pnk h ARG 186 N 0.45 -0.01 -0.00 1.13 3.08 -1.10 -0.86 114.38 117.08 2pnk h ARG 186 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2pnk h ARG 186 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2pnk h ARG 186 CO -0.24 -0.00 -0.00 -0.40 -1.07 0.00 0.00 179.97 178.25 2pnk n ASP 187 N -5.28 0.00 -0.57 7.04 5.68 -0.89 -1.54 116.55 120.99 2pnk n ASP 187 Ca 0.01 -0.48 0.10 0.00 -0.50 0.00 0.00 54.79 53.92 2pnk n ASP 187 Cb 0.20 -0.17 0.36 0.00 -1.14 0.00 0.00 41.12 40.37 2pnk n ASP 187 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2pnk n TRP 188 N -1.17 0.22 -0.49 2.11 8.01 -0.58 -4.94 117.44 120.61 2pnk n TRP 188 Ca 0.18 -0.11 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 2pnk n TRP 188 Cb 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 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 1.14 0.75 3.57 6.99 0.00 -0.59 -5.04 105.19 112.01 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 -2.44 3.03 -1.35 1.61 2.02 -0.43 -4.96 117.35 114.83 2pnk s TYR 190 Ca 0.00 0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 57.06 2pnk s TYR 190 Cb 0.00 -3.63 0.11 0.00 -0.40 0.00 0.00 41.96 38.04 2pnk s TYR 190 CO 0.00 -0.90 2.35 1.63 -1.57 0.00 0.00 175.55 177.07 2pnk n LYS 191 N 6.70 4.32 -2.31 -0.62 5.02 -1.26 -3.06 118.16 126.96 2pnk n LYS 191 Ca 0.04 -3.34 -0.41 0.00 -2.02 0.00 0.00 58.31 52.58 2pnk n LYS 191 Cb 0.48 -2.71 -0.03 0.00 -0.02 0.00 0.00 35.03 32.75 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2pnk s VAL 192 N -0.52 3.37 0.61 -0.18 -7.23 -1.26 -4.53 120.40 110.66 2pnk s VAL 192 Ca 0.53 1.18 0.02 0.00 -1.81 0.00 0.00 61.98 61.90 2pnk s VAL 192 Cb 0.17 -3.76 0.07 0.00 0.56 0.00 0.00 36.38 33.43 2pnk s VAL 192 CO -0.07 0.20 0.85 0.20 -0.31 0.00 0.00 175.10 175.97 2pnk s ASN 193 N 0.05 4.93 0.28 4.85 0.01 -1.26 -4.96 114.94 118.84 2pnk s ASN 193 Ca 0.53 -0.25 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 2pnk s ASN 193 Cb -0.34 -0.43 0.41 0.00 0.41 0.00 0.00 41.25 41.30 2pnk s ASN 193 CO 0.39 -1.41 1.70 0.44 -1.51 0.00 0.00 177.10 176.71 2pnk h ASP 194 N -0.11 0.40 -3.25 -1.22 3.32 -2.03 -3.44 116.42 110.09 2pnk h ASP 194 Ca -0.39 -0.15 -0.57 0.00 0.02 0.00 0.00 57.03 55.94 2pnk h ASP 194 Cb 1.28 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 2pnk h ASP 194 CO 0.46 0.71 -0.10 -1.61 -1.72 0.00 0.00 179.24 176.99 2pnk s GLU 195 N -4.33 4.01 -1.19 3.56 2.02 -1.26 -5.00 118.70 116.51 2pnk s GLU 195 Ca -0.06 0.52 -0.19 0.00 0.02 0.00 0.00 54.97 55.26 2pnk s GLU 195 Cb 0.13 -3.04 0.08 0.00 0.10 0.00 0.00 34.13 31.40 2pnk s GLU 195 CO 0.79 0.55 1.59 -0.46 0.02 0.00 0.00 175.26 177.74 2pnk s TRP 196 N -1.33 2.82 0.52 1.61 -0.11 -1.26 -4.67 118.94 116.52 2pnk s TRP 196 Ca 0.34 -1.46 0.01 0.00 1.22 0.00 0.00 56.10 56.21 2pnk s TRP 196 Cb -0.16 -4.66 -0.00 0.00 -1.50 0.00 0.00 33.47 27.14 2pnk s TRP 196 CO 0.18 -1.78 0.04 0.54 -4.62 0.00 0.00 176.95 171.32 2pnk s ASN 197 N 4.23 4.20 0.27 5.86 2.20 -1.26 -4.96 114.94 125.48 2pnk s ASN 197 Ca 0.49 -1.64 -0.04 0.00 -0.94 0.00 0.00 52.86 50.74 2pnk s ASN 197 Cb 0.02 0.59 0.55 0.00 -2.00 0.00 0.00 41.25 40.41 2pnk s ASN 197 CO 0.01 -0.91 1.62 -0.08 -2.94 0.00 0.00 177.10 174.80 2pnk h GLU 198 N 1.26 0.08 -0.51 3.55 4.81 -1.99 -0.67 114.58 121.10 2pnk h GLU 198 Ca -0.43 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2pnk h GLU 198 Cb 1.32 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 2pnk h GLU 198 CO 0.72 0.06 0.33 0.78 -0.73 0.00 0.00 179.01 180.17 2pnk h GLY 199 N 0.09 0.72 1.01 1.92 0.00 -1.94 -0.77 103.07 104.09 2pnk h GLY 199 Ca 0.48 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 2pnk h GLY 199 CO -0.75 0.25 -0.24 1.76 0.00 0.00 0.00 176.54 177.56 2pnk h SER 200 N 0.68 0.82 0.11 0.19 0.02 -1.42 -2.14 113.55 111.80 2pnk h SER 200 Ca 0.19 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2pnk h SER 200 Cb -0.06 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2pnk h SER 200 CO -0.05 1.08 -0.05 0.40 -1.14 0.00 0.00 176.83 177.07 2pnk h ILE 201 N 0.57 0.91 -0.97 3.27 2.04 -1.01 -1.87 117.51 120.45 2pnk h ILE 201 Ca 0.07 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2pnk h ILE 201 Cb 0.80 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2pnk h ILE 201 CO 0.07 0.01 0.64 1.56 0.00 0.00 0.00 178.15 180.43 2pnk h GLN 202 N -0.17 1.24 -0.15 2.37 1.08 -1.14 -1.29 115.11 117.05 2pnk h GLN 202 Ca -0.02 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 56.95 2pnk h GLN 202 Cb 0.13 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 2pnk h GLN 202 CO 0.02 0.82 -0.58 0.93 -0.95 0.00 0.00 178.83 179.08 2pnk h GLU 203 N 1.28 0.46 -0.30 1.46 4.39 -1.29 -0.60 114.58 119.98 2pnk h GLU 203 Ca 0.37 -0.30 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 2pnk h GLU 203 Cb -0.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2pnk h GLU 203 CO -0.09 0.91 -0.44 0.28 -1.16 0.00 0.00 179.01 178.51 2pnk h VAL 204 N 0.35 1.29 -0.57 3.13 2.07 -1.10 -1.61 116.25 119.81 2pnk h VAL 204 Ca 0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2pnk h VAL 204 Cb 1.11 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2pnk h VAL 204 CO 0.10 0.53 0.32 0.11 0.02 0.00 0.00 177.57 178.65 2pnk h LYS 205 N 0.62 0.77 -0.17 1.57 1.57 -1.13 -2.19 116.57 117.60 2pnk h LYS 205 Ca 0.04 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2pnk h LYS 205 Cb 1.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2pnk h LYS 205 CO 0.10 0.56 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.43 2pnk h ARG 206 N 0.78 0.32 -0.44 3.15 2.43 -0.81 -0.67 114.38 119.15 2pnk h ARG 206 Ca 0.20 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 2pnk h ARG 206 Cb 0.00 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.43 2pnk h ARG 206 CO -0.04 0.55 -0.22 0.35 -1.51 0.00 0.00 179.97 179.10 2pnk h PHE 207 N 0.05 -0.57 -0.07 2.20 3.57 -1.13 0.37 116.94 121.37 2pnk h PHE 207 Ca 0.05 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2pnk h PHE 207 Cb 0.41 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 2pnk h PHE 207 CO 0.04 -0.30 0.04 -0.07 -2.23 0.00 0.00 178.31 175.79 2pnk h LEU 208 N -0.14 0.08 -0.88 0.59 3.38 -1.32 -2.34 115.31 114.69 2pnk h LEU 208 Ca 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2pnk h LEU 208 Cb 0.46 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2pnk h LEU 208 CO -0.52 0.09 0.41 0.74 0.09 0.00 0.00 178.44 179.25 2pnk h THR 209 N 0.07 1.26 -0.43 0.22 2.02 -0.49 0.17 112.91 115.72 2pnk h THR 209 Ca 0.02 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.51 2pnk h THR 209 Cb 0.02 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2pnk h THR 209 CO -0.00 0.31 0.24 0.44 0.37 0.00 0.00 175.52 176.87 2pnk h ASP 210 N 1.20 0.37 0.79 4.18 5.19 -0.15 0.10 116.42 128.10 2pnk h ASP 210 Ca 0.29 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.56 2pnk h ASP 210 Cb 0.11 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 2pnk h ASP 210 CO -0.04 0.26 -0.73 -0.50 -3.12 0.00 0.00 179.24 175.11 2pnk h TRP 211 N 0.48 0.00 -0.40 4.55 4.06 -1.00 -1.06 115.95 122.57 2pnk h TRP 211 Ca 0.18 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 2pnk h TRP 211 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 2pnk h TRP 211 CO -0.08 0.73 0.10 0.82 -3.56 0.00 0.00 178.44 176.45 2pnk h ILE 212 N 0.00 1.23 -0.59 1.49 2.04 -0.74 -3.13 117.51 117.81 2pnk h ILE 212 Ca -0.01 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2pnk h ILE 212 Cb 1.33 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2pnk h ILE 212 CO 0.10 0.27 0.33 -0.33 0.00 0.00 0.00 178.15 178.51 2pnk h GLU 213 N 0.50 0.81 0.00 2.37 5.08 -0.76 0.48 114.58 123.06 2pnk h GLU 213 Ca 0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pnk h GLU 213 Cb 0.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2pnk h GLU 213 CO 0.00 0.61 0.00 -2.13 -1.00 0.00 0.00 179.01 176.49 2pnk n ARG 214 N -4.60 0.58 0.00 2.33 3.00 -0.42 -5.03 116.66 112.52 2pnk n ARG 214 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2pnk n ARG 214 Cb 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.30 2pnk n ARG 214 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2pnk n ASP 216 N -0.73 0.00 -4.79 6.15 2.03 0.16 -5.10 116.55 114.27 2pnk n ASP 216 Ca 0.06 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.02 2pnk n ASP 216 Cb 0.03 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.39 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 3.99 0.26 -0.67 0.04 -1.26 -4.63 135.00 132.73 2pnk s PRO 217 Ca 0.00 1.46 0.17 0.00 0.04 0.00 0.00 61.00 62.66 2pnk s PRO 217 Cb 0.00 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.27 2pnk s PRO 217 CO 0.00 -0.28 1.35 -0.39 0.04 0.00 0.00 177.00 177.71 2pnk h VAL 218 N 1.90 0.62 0.00 -0.36 -1.51 -1.48 -3.49 116.25 111.93 2pnk h VAL 218 Ca -0.49 -1.92 0.00 0.00 -1.23 0.00 0.00 66.70 63.06 2pnk h VAL 218 Cb 1.22 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 2pnk h VAL 218 CO 0.61 0.35 0.00 0.00 -1.23 0.00 0.00 177.57 177.30 2pnk n TYR 219 N -3.12 0.00 0.00 5.19 0.18 -1.26 -4.33 117.16 113.82 2pnk n TYR 219 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2pnk n TYR 219 Cb 0.71 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.67 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk n ALA 221 N -3.00 0.00 -3.08 -3.48 0.00 0.08 -1.83 120.51 109.20 2pnk n ALA 221 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pnk n ALA 221 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2pnk n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pnk s VAL 222 N -2.00 0.05 -0.13 0.00 0.11 -0.35 -1.06 120.40 117.01 2pnk s VAL 222 Ca 0.00 -0.40 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 2pnk s VAL 222 Cb 0.00 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2pnk s VAL 222 CO 0.00 -0.22 0.20 -0.44 -3.33 0.00 0.00 175.10 171.31 2pnk s SER 223 N -0.76 6.40 0.11 3.54 0.01 -1.26 -4.75 113.70 116.99 2pnk s SER 223 Ca -0.08 0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.71 2pnk s SER 223 Cb -0.05 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2pnk s SER 223 CO 0.01 0.28 -0.16 -0.76 0.41 0.00 0.00 173.24 173.02 2pnk s LEU 224 N -0.36 2.36 0.75 2.44 1.43 -1.26 -4.95 118.68 119.09 2pnk s LEU 224 Ca 0.14 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2pnk s LEU 224 Cb -0.12 -0.64 0.04 0.00 0.03 0.00 0.00 46.19 45.50 2pnk s LEU 224 CO 0.03 -0.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.48 2pnk s PRO 225 N -2.34 2.49 0.57 1.29 0.04 -1.25 -0.60 135.00 135.21 2pnk s PRO 225 Ca 0.07 0.53 0.34 0.00 0.04 0.00 0.00 61.00 61.98 2pnk s PRO 225 Cb -0.07 -1.97 1.72 0.00 0.04 0.00 0.00 34.50 34.21 2pnk s PRO 225 CO 0.03 -1.31 2.14 -1.35 0.04 0.00 0.00 177.00 176.55 2pnk h PRO 226 N -0.86 0.00 -0.16 0.56 0.11 -1.77 -1.62 132.00 128.26 2pnk h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pnk h PRO 226 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2pnk h PRO 226 CO 0.62 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2pnk n THR 227 N -3.33 0.21 -1.67 -1.15 -2.24 -1.26 -3.77 114.28 101.07 2pnk n THR 227 Ca -0.01 -0.25 -0.50 0.00 -2.27 0.00 0.00 64.05 61.01 2pnk n THR 227 Cb 0.21 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.01 2.10 -4.41 4.78 7.35 -0.61 -4.99 117.46 121.70 2pnk n PHE 228 Ca 0.11 0.31 -0.22 0.00 -0.76 0.00 0.00 57.45 56.88 2pnk n PHE 228 Cb 0.20 -2.52 -0.13 0.00 0.35 0.00 0.00 39.48 37.37 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 2.39 2.11 -0.21 -2.13 0.01 -1.26 -4.70 113.70 109.91 2pnk s SER 229 Ca 0.88 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 2pnk s SER 229 Cb -0.82 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 65.34 2pnk s SER 229 CO 0.50 0.07 0.53 0.12 0.41 0.00 0.00 173.24 174.86 2pnk s PHE 230 N -0.95 -0.73 0.88 2.43 2.19 -1.26 -4.44 117.98 116.11 2pnk s PHE 230 Ca 0.04 1.57 -0.11 0.00 0.33 0.00 0.00 56.93 58.76 2pnk s PHE 230 Cb -0.09 0.35 0.12 0.00 -1.31 0.00 0.00 43.02 42.09 2pnk s PHE 230 CO 0.02 -0.38 1.09 -2.14 1.83 0.00 0.00 175.22 175.65 2pnk s PRO 231 N 1.12 1.36 -0.24 10.12 0.02 -1.26 -4.22 135.00 141.90 2pnk s PRO 231 Ca -0.07 0.94 -0.12 0.00 0.02 0.00 0.00 61.00 61.77 2pnk s PRO 231 Cb -0.06 -1.81 0.08 0.00 0.02 0.00 0.00 34.50 32.73 2pnk s PRO 231 CO -0.11 -2.20 0.58 -2.00 -0.33 0.00 0.00 177.00 172.94 2pnk s GLU 232 N -4.89 0.56 -1.23 5.54 2.12 -1.26 -5.06 118.70 114.48 2pnk s GLU 232 Ca 0.63 1.11 -0.19 0.00 0.36 0.00 0.00 54.97 56.88 2pnk s GLU 232 Cb -0.18 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2pnk s GLU 232 CO 0.57 -0.17 1.92 0.39 -0.54 0.00 0.00 175.26 177.43 2pnk n GLU 233 N 4.55 2.48 -4.16 4.30 -0.58 -1.26 -3.87 120.64 122.10 2pnk n GLU 233 Ca -0.19 -2.73 -0.14 0.00 -0.42 0.00 0.00 57.16 53.68 2pnk n GLU 233 Cb 0.56 -3.43 -0.07 0.00 -0.57 0.00 0.00 31.44 27.92 2pnk n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2pnk s SER 234 N 4.69 0.75 0.19 1.62 1.04 -1.26 -5.01 113.70 115.72 2pnk s SER 234 Ca 0.57 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 2pnk s SER 234 Cb 0.06 0.54 0.16 0.00 0.10 0.00 0.00 66.02 66.88 2pnk s SER 234 CO 0.06 -1.07 1.82 0.78 0.98 0.00 0.00 173.24 175.82 2pnk h ASN 235 N 2.29 0.58 0.01 7.02 2.35 -1.91 -1.34 115.58 124.58 2pnk h ASN 235 Ca -0.29 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2pnk h ASN 235 Cb 1.24 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2pnk h ASN 235 CO 0.42 0.40 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.50 2pnk h ARG 236 N 0.71 -0.01 -0.85 0.81 2.43 -1.91 -1.34 114.38 114.22 2pnk h ARG 236 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2pnk h ARG 236 Cb 0.06 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2pnk h ARG 236 CO -0.12 0.12 0.54 0.78 -1.51 0.00 0.00 179.97 179.78 2pnk h GLY 237 N -0.13 1.22 0.79 2.80 0.00 -1.64 -1.44 103.07 104.65 2pnk h GLY 237 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2pnk h GLY 237 CO 0.00 0.47 0.01 3.21 0.00 0.00 0.00 176.54 180.23 2pnk h ARG 238 N 1.16 0.22 -0.44 4.80 3.08 -1.20 -1.93 114.38 120.07 2pnk h ARG 238 Ca 0.31 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2pnk h ARG 238 Cb -0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2pnk h ARG 238 CO -0.06 0.43 0.22 0.82 -1.07 0.00 0.00 179.97 180.31 2pnk h ILE 239 N -0.03 1.17 -0.05 2.04 2.04 -1.11 0.11 117.51 121.69 2pnk h ILE 239 Ca 0.04 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.43 2pnk h ILE 239 Cb 0.33 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2pnk h ILE 239 CO 0.00 0.19 -0.04 0.40 0.00 0.00 0.00 178.15 178.70 2pnk h ILE 240 N 0.57 0.88 0.01 -0.67 2.04 -1.27 -1.17 117.51 117.91 2pnk h ILE 240 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 2pnk h ILE 240 Cb 0.10 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2pnk h ILE 240 CO -0.02 0.00 -0.01 -0.09 0.00 0.00 0.00 178.15 178.03 2pnk h ARG 241 N -0.05 -0.02 0.00 2.37 2.43 -1.21 -1.16 114.38 116.74 2pnk h ARG 241 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2pnk h ARG 241 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2pnk h ARG 241 CO -0.08 0.30 -0.89 -0.44 -1.51 0.00 0.00 179.97 177.35 2pnk h ASP 242 N -0.34 0.00 0.00 -3.80 3.32 -0.77 -3.41 116.42 111.43 2pnk h ASP 242 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2pnk h ASP 242 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2pnk h ASP 242 CO 0.00 0.00 -0.30 0.00 -1.72 0.00 0.00 179.24 177.22 2pnk h LEU 244 N 0.00 0.42 -0.15 0.00 6.46 -1.21 -2.43 115.31 118.40 2pnk h LEU 244 Ca 0.00 -0.72 -0.02 0.00 -0.12 0.00 0.00 57.88 57.02 2pnk h LEU 244 Cb 0.30 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2pnk h LEU 244 CO 0.00 1.08 0.02 -0.07 -0.62 0.00 0.00 178.44 178.85 2pnk h LEU 245 N -0.20 0.24 -0.30 2.25 3.38 -1.45 -1.01 115.31 118.22 2pnk h LEU 245 Ca -0.04 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2pnk h LEU 245 Cb 1.12 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2pnk h LEU 245 CO 0.08 0.45 0.11 -0.65 0.09 0.00 0.00 178.44 178.52 2pnk h PRO 246 N 0.03 0.24 -0.51 1.13 0.11 -1.78 -0.94 132.00 130.26 2pnk h PRO 246 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2pnk h PRO 246 Cb 0.31 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2pnk h PRO 246 CO 0.00 0.16 0.33 0.28 -0.21 0.00 0.00 178.00 178.56 2pnk h VAL 247 N 0.24 1.14 -0.91 3.15 2.07 -1.43 -1.18 116.25 119.33 2pnk h VAL 247 Ca 0.13 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2pnk h VAL 247 Cb 0.10 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2pnk h VAL 247 CO -0.14 0.14 0.52 0.00 0.02 0.00 0.00 177.57 178.11 2pnk h ALA 248 N 1.18 1.21 -0.37 1.67 0.00 -0.90 -1.44 119.26 120.61 2pnk h ALA 248 Ca 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2pnk h ALA 248 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 2pnk h ALA 248 CO -0.04 0.66 -0.07 1.49 0.00 0.00 0.00 179.25 181.29 2pnk h GLU 249 N 1.26 0.70 -0.31 0.00 4.81 -0.94 0.84 114.58 120.95 2pnk h GLU 249 Ca 0.32 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2pnk h GLU 249 Cb -0.01 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2pnk h GLU 249 CO -0.06 0.84 0.05 -0.22 -0.73 0.00 0.00 179.01 178.89 2pnk h LYS 250 N 0.50 0.16 -0.01 1.92 3.64 -0.74 -2.62 116.57 119.41 2pnk h LYS 250 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2pnk h LYS 250 Cb 0.57 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2pnk h LYS 250 CO 0.03 0.10 -0.07 0.72 -2.27 0.00 0.00 179.45 177.97 2pnk n HIS 251 N -5.10 0.00 -3.70 1.91 8.25 -0.59 -4.95 115.22 111.05 2pnk n HIS 251 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2pnk n HIS 251 Cb 0.14 -0.03 0.05 0.00 1.12 0.00 0.00 29.99 31.27 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 0.10 -3.74 -4.48 0.41 5.15 -0.19 -5.00 115.26 107.50 2pnk n ASN 252 Ca 0.17 -0.70 -0.35 0.00 -0.60 0.00 0.00 54.58 53.09 2pnk n ASN 252 Cb 0.38 -4.43 -0.12 0.00 -0.53 0.00 0.00 39.78 35.08 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 -3.42 4.23 0.78 -1.44 1.01 0.12 -4.88 121.20 117.59 2pnk s ILE 253 Ca 0.35 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.65 2pnk s ILE 253 Cb -0.17 -2.93 0.07 0.00 0.01 0.00 0.00 42.46 39.44 2pnk s ILE 253 CO 0.78 0.41 1.21 -2.84 0.00 0.00 0.00 174.94 174.50 2pnk s PRO 254 N 1.06 1.82 -0.29 2.79 0.02 -1.26 -4.62 135.00 134.52 2pnk s PRO 254 Ca 0.03 1.76 -0.06 0.00 0.02 0.00 0.00 61.00 62.75 2pnk s PRO 254 Cb -0.14 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.60 2pnk s PRO 254 CO 0.02 -2.08 0.05 0.12 -0.33 0.00 0.00 177.00 174.79 2pnk s PHE 255 N -2.09 3.14 0.39 6.54 5.36 -0.50 -4.57 117.98 126.26 2pnk s PHE 255 Ca 0.74 -1.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 2pnk s PHE 255 Cb -0.29 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 2pnk s PHE 255 CO 0.49 -0.62 0.59 0.00 -1.46 0.00 0.00 175.22 174.22 2pnk s ALA 256 N 1.46 3.78 -0.30 11.12 0.00 -1.26 -1.24 121.76 135.31 2pnk s ALA 256 Ca 0.02 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 2pnk s ALA 256 Cb -0.17 -2.08 0.19 0.00 0.00 0.00 0.00 23.12 21.06 2pnk s ALA 256 CO 0.01 -0.18 1.32 0.42 0.00 0.00 0.00 175.76 177.33 2pnk s ILE 259 N -2.41 0.00 0.00 0.00 1.01 -0.64 -1.21 121.20 117.95 2pnk s ILE 259 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.09 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 0.36 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2pnk n GLY 260 N 2.29 0.88 3.72 6.18 0.00 0.23 -0.99 105.19 117.50 2pnk n GLY 260 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.80 4.83 -0.39 1.61 0.11 -0.81 -1.74 120.40 122.21 2pnk s VAL 261 Ca 0.00 1.83 -0.06 0.00 -2.93 0.00 0.00 61.98 60.82 2pnk s VAL 261 Cb 0.00 -4.21 0.08 0.00 -1.53 0.00 0.00 36.38 30.72 2pnk s VAL 261 CO 0.00 0.25 0.19 -0.75 -3.33 0.00 0.00 175.10 171.45 2pnk s LYS 262 N 0.59 2.40 0.26 1.54 2.20 -0.47 -3.81 119.74 122.44 2pnk s LYS 262 Ca 0.45 -1.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.25 2pnk s LYS 262 Cb -0.20 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.43 2pnk s LYS 262 CO 0.25 -0.91 1.18 0.15 -0.36 0.00 0.00 175.35 175.66 2pnk s LYS 263 N 1.31 4.52 -1.28 4.03 -0.14 -1.26 -0.69 119.74 126.23 2pnk s LYS 263 Ca 0.03 1.92 -0.08 0.00 -1.36 0.00 0.00 55.97 56.48 2pnk s LYS 263 Cb -0.22 -3.18 -0.00 0.00 -1.68 0.00 0.00 37.83 32.74 2pnk s LYS 263 CO -0.00 0.02 0.62 0.54 -0.76 0.00 0.00 175.35 175.76 2pnk n ARG 264 N 1.60 -2.78 0.23 1.68 5.12 -1.23 -4.88 116.66 116.40 2pnk n ARG 264 Ca 0.01 0.47 0.11 0.00 -1.93 0.00 0.00 57.85 56.51 2pnk n ARG 264 Cb 0.44 -4.50 0.49 0.00 -1.16 0.00 0.00 32.46 27.73 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 -1.86 0.50 -2.80 1.55 -1.51 -1.15 -3.33 116.25 107.65 2pnk h VAL 265 Ca -0.64 -1.03 -0.61 0.00 -1.23 0.00 0.00 66.70 63.19 2pnk h VAL 265 Cb 1.37 1.72 -0.40 0.00 -2.13 0.00 0.00 31.29 31.85 2pnk h VAL 265 CO 0.56 0.19 -0.75 -2.28 -1.23 0.00 0.00 177.57 174.06 2pnk s HIS 266 N -3.68 2.42 0.29 5.19 5.65 -0.91 -5.02 115.29 119.23 2pnk s HIS 266 Ca 0.00 -2.84 0.04 0.00 0.25 0.00 0.00 55.06 52.52 2pnk s HIS 266 Cb 0.10 -1.92 0.68 0.00 -1.18 0.00 0.00 32.58 30.27 2pnk s HIS 266 CO 0.62 -0.68 1.77 -1.35 -0.65 0.00 0.00 174.74 174.45 2pnk h PRO 267 N 5.66 0.69 -0.16 2.88 0.11 -1.84 -1.87 132.00 137.46 2pnk h PRO 267 Ca 0.17 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.29 2pnk h PRO 267 Cb 0.84 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 2pnk h PRO 267 CO 0.56 0.46 0.15 0.00 -0.21 0.00 0.00 178.00 178.95 2pnk h ALA 268 N 1.63 1.85 -0.00 -0.75 0.00 -1.95 -0.92 119.26 119.12 2pnk h ALA 268 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2pnk h ALA 268 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2pnk h ALA 268 CO -0.39 -0.23 -0.00 1.28 0.00 0.00 0.00 179.25 179.91 2pnk n LEU 269 N -3.98 0.01 0.00 0.00 4.77 -0.70 -4.96 117.00 112.14 2pnk n LEU 269 Ca 0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2pnk n LEU 269 Cb 0.27 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2pnk n LEU 269 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2pnk n GLY 270 N 1.12 3.43 0.33 -0.72 0.00 -0.35 -1.79 105.19 107.22 2pnk n GLY 270 Ca 0.20 -0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 0.19 0.00 -0.06 1.61 3.32 -1.94 -0.69 116.42 118.85 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 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2pnk n ALA 272 N -2.04 2.59 0.08 3.45 0.00 -0.74 -4.33 120.51 119.51 2pnk n ALA 272 Ca -0.03 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.24 2pnk n ALA 272 Cb 0.12 -1.24 0.25 0.00 0.00 0.00 0.00 19.45 18.58 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 0.96 2.00 3.85 0.00 0.00 -0.26 -4.85 105.19 106.89 2pnk n GLY 273 Ca 0.16 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.33 6.78 0.07 1.61 1.01 -1.26 -0.80 116.67 122.74 2pnk s ASP 274 Ca 0.43 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.71 2pnk s ASP 274 Cb 0.24 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2pnk s ASP 274 CO 0.33 0.09 0.01 0.33 0.21 0.00 0.00 175.17 176.14 2pnk n PHE 275 N 0.71 -0.24 -4.05 4.23 7.35 0.13 -4.93 117.46 120.66 2pnk n PHE 275 Ca -0.05 -0.31 -0.11 0.00 -0.76 0.00 0.00 57.45 56.21 2pnk n PHE 275 Cb 0.52 -0.05 -0.11 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.01 0.42 0.03 -2.13 0.11 -1.26 -1.37 120.40 115.18 2pnk s VAL 276 Ca 0.01 -1.17 -0.14 0.00 -2.93 0.00 0.00 61.98 57.75 2pnk s VAL 276 Cb -0.00 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2pnk s VAL 276 CO 0.01 -0.51 0.30 -0.83 -3.33 0.00 0.00 175.10 170.74 2pnk s GLY 277 N -1.79 -0.12 0.22 6.54 0.00 -0.71 -4.85 107.32 106.61 2pnk s GLY 277 Ca -0.08 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 2pnk s GLY 277 CO -0.01 -0.13 1.35 1.25 0.00 0.00 0.00 173.10 175.56 2pnk s LYS 278 N -2.17 4.35 0.20 2.90 2.20 -1.26 -4.51 119.74 121.45 2pnk s LYS 278 Ca -0.08 2.14 0.03 0.00 -0.36 0.00 0.00 55.97 57.70 2pnk s LYS 278 Cb -0.02 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2pnk s LYS 278 CO -0.01 -0.30 0.34 0.00 -0.36 0.00 0.00 175.35 175.02 2pnk s ALA 279 N 0.02 3.93 1.00 3.13 0.00 -1.26 -4.75 121.76 123.82 2pnk s ALA 279 Ca 0.57 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2pnk s ALA 279 Cb -0.38 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2pnk s ALA 279 CO 0.40 0.37 0.00 0.45 0.00 0.00 0.00 175.76 176.98 2pnk n SER 280 N -1.00 0.00 0.00 0.00 2.88 -1.25 -4.98 113.62 109.26 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 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.21 -3.46 8.00 -1.26 -4.75 116.55 114.87 2pnk n ASP 282 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2pnk n ASP 282 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.96 1.08 0.44 0.00 -1.84 -0.12 103.07 103.59 2pnk h GLY 283 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 2pnk h GLY 283 CO 0.00 0.51 -0.43 -2.08 0.00 0.00 0.00 176.54 174.54 2pnk h VAL 284 N 0.82 1.29 0.09 4.60 2.07 -1.88 -1.22 116.25 122.03 2pnk h VAL 284 Ca 0.19 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2pnk h VAL 284 Cb 0.23 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2pnk h VAL 284 CO -0.01 0.53 -0.13 -0.08 0.02 0.00 0.00 177.57 177.90 2pnk h GLU 285 N 0.60 -0.26 -0.23 1.57 4.81 -1.93 -1.36 114.58 117.77 2pnk h GLU 285 Ca 0.03 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2pnk h GLU 285 Cb 1.03 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2pnk h GLU 285 CO 0.10 -0.17 0.06 1.25 -0.73 0.00 0.00 179.01 179.52 2pnk h HIS 286 N -0.27 0.11 -0.09 0.92 2.76 -0.92 -1.68 115.15 115.99 2pnk h HIS 286 Ca 0.02 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2pnk h HIS 286 Cb 0.27 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 2pnk h HIS 286 CO -0.14 0.05 -0.15 -0.07 -1.30 0.00 0.00 177.93 176.31 2pnk h LEU 287 N 0.16 -0.45 -0.50 0.26 3.38 -1.06 -0.80 115.31 116.30 2pnk h LEU 287 Ca 0.10 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2pnk h LEU 287 Cb 0.09 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2pnk h LEU 287 CO -0.12 -0.20 0.26 -0.07 0.09 0.00 0.00 178.44 178.40 2pnk h LEU 288 N -0.20 0.39 -0.12 1.67 3.38 -0.93 -0.28 115.31 119.22 2pnk h LEU 288 Ca 0.08 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 2pnk h LEU 288 Cb 0.32 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2pnk h LEU 288 CO -0.21 0.27 -0.76 -0.09 0.09 0.00 0.00 178.44 177.74 2pnk h ARG 289 N 0.52 0.73 0.00 1.13 2.43 -1.19 -3.32 114.38 114.67 2pnk h ARG 289 Ca 0.22 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2pnk h ARG 289 Cb 0.11 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2pnk h ARG 289 CO -0.14 1.23 -0.59 0.39 -1.51 0.00 0.00 179.97 179.35 2pnk n GLU 290 N -3.99 0.11 -3.27 0.20 -0.58 -0.32 -4.18 120.64 108.61 2pnk n GLU 290 Ca -0.08 0.02 -0.26 0.00 -0.42 0.00 0.00 57.16 56.42 2pnk n GLU 290 Cb 0.74 -1.56 -0.07 0.00 -0.57 0.00 0.00 31.44 29.98 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 -1.71 2.89 0.30 -0.32 4.02 -0.12 -4.92 117.16 117.30 2pnk n TYR 291 Ca 0.05 -4.01 0.19 0.00 -0.01 0.00 0.00 57.90 54.12 2pnk n TYR 291 Cb 0.37 -0.50 0.89 0.00 -0.02 0.00 0.00 39.34 40.08 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 3.82 0.00 -0.42 -0.72 0.13 -1.73 -2.06 132.00 131.02 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 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 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 -3.02 2.82 -4.65 1.44 3.02 -1.26 -4.84 115.26 108.76 2pnk n ASN 293 Ca -0.01 -1.94 -0.33 0.00 -0.03 0.00 0.00 54.58 52.28 2pnk n ASN 293 Cb 0.20 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.26 4.95 -0.05 6.41 -0.87 -0.78 -4.75 114.94 118.59 2pnk s ASN 294 Ca 0.36 -0.05 -0.11 0.00 -1.57 0.00 0.00 52.86 51.50 2pnk s ASN 294 Cb 0.20 -1.25 -0.05 0.00 -0.02 0.00 0.00 41.25 40.13 2pnk s ASN 294 CO 0.27 0.29 0.29 -0.54 -2.57 0.00 0.00 177.10 174.84 2pnk s LYS 295 N -1.47 3.70 -0.07 -0.60 1.02 -1.26 -4.87 119.74 116.18 2pnk s LYS 295 Ca 0.18 0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.37 2pnk s LYS 295 Cb -0.11 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 2pnk s LYS 295 CO 0.09 0.73 -0.18 -0.06 -0.92 0.00 0.00 175.35 175.00 2pnk s PHE 296 N -1.07 1.96 -0.19 3.18 0.40 0.24 -1.40 117.98 121.11 2pnk s PHE 296 Ca 0.20 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 2pnk s PHE 296 Cb -0.15 -1.35 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2pnk s PHE 296 CO 0.09 -0.30 0.06 -0.51 0.70 0.00 0.00 175.22 175.26 2pnk s LEU 297 N 0.38 3.74 -0.03 -0.37 1.43 -0.38 -4.25 118.68 119.19 2pnk s LEU 297 Ca -0.13 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2pnk s LEU 297 Cb -0.16 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2pnk s LEU 297 CO 0.05 0.15 -0.04 -0.69 0.23 0.00 0.00 176.35 176.06 2pnk s VAL 298 N 0.50 0.42 0.27 -1.59 1.01 -1.26 -4.07 120.40 115.69 2pnk s VAL 298 Ca 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2pnk s VAL 298 Cb -0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2pnk s VAL 298 CO 0.01 0.18 0.11 1.07 0.00 0.00 0.00 175.10 176.46 2pnk n THR 299 N 3.79 0.00 0.00 3.92 5.66 -1.26 -2.30 114.28 124.09 2pnk n THR 299 Ca -0.23 -1.62 0.00 0.00 -3.05 0.00 0.00 64.05 59.15 2pnk n THR 299 Cb 0.52 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 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 -4.78 1.09 7.94 -0.17 -1.61 117.00 119.47 2pnk n LEU 301 Ca -0.03 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.48 2pnk n LEU 301 Cb 0.42 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.31 2pnk n LEU 301 CO 0.22 0.00 0.26 -0.55 -1.11 0.00 0.00 177.39 176.21 2pnk s SER 302 N -0.80 6.97 0.44 1.96 0.15 -1.26 -4.76 113.70 116.40 2pnk s SER 302 Ca 0.00 1.15 0.10 0.00 0.70 0.00 0.00 55.95 57.90 2pnk s SER 302 Cb 0.00 -2.35 0.96 0.00 -1.71 0.00 0.00 66.02 62.92 2pnk s SER 302 CO 0.00 0.17 2.07 -0.09 1.20 0.00 0.00 173.24 176.59 2pnk h ARG 303 N 5.30 0.41 0.00 5.44 2.43 -1.95 -2.42 114.38 123.59 2pnk h ARG 303 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2pnk h ARG 303 Cb 1.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2pnk h ARG 303 CO 0.67 0.27 0.00 0.39 -1.51 0.00 0.00 179.97 179.80 2pnk n GLU 304 N -4.49 0.24 0.00 0.20 4.71 -1.26 -2.51 120.64 117.53 2pnk n GLU 304 Ca 0.02 0.05 0.12 0.00 -0.01 0.00 0.00 57.16 57.34 2pnk n GLU 304 Cb 0.09 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 29.22 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 -1.36 1.26 -0.00 1.62 5.03 -0.91 -4.67 115.26 116.23 2pnk n ASN 305 Ca 0.10 -1.01 -0.18 0.00 0.87 0.00 0.00 54.58 54.37 2pnk n ASN 305 Cb 0.24 0.33 -0.09 0.00 -1.02 0.00 0.00 39.78 39.23 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 1.31 0.59 -0.15 3.52 1.08 -1.60 -2.15 115.11 117.71 2pnk h GLN 306 Ca 0.00 -0.55 -0.03 0.00 -1.45 0.00 0.00 58.65 56.62 2pnk h GLN 306 Cb 0.58 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2pnk h GLN 306 CO 0.00 1.17 -0.01 1.25 -0.95 0.00 0.00 178.83 180.29 2pnk h HIS 307 N 0.20 0.30 0.00 2.96 2.76 -1.83 -2.64 115.15 116.90 2pnk h HIS 307 Ca -0.07 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 57.99 2pnk h HIS 307 Cb 1.37 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.24 2pnk h HIS 307 CO 0.12 0.51 -0.27 1.05 -1.30 0.00 0.00 177.93 178.04 2pnk h GLU 308 N 0.00 0.00 -0.47 5.26 4.11 -1.85 -1.10 114.58 120.53 2pnk h GLU 308 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 2pnk h GLU 308 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2pnk h GLU 308 CO 0.01 0.27 0.07 1.25 0.07 0.00 0.00 179.01 180.68 2pnk h LEU 309 N 0.00 0.75 -0.57 3.06 5.85 -1.29 -0.14 115.31 122.97 2pnk h LEU 309 Ca -0.00 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2pnk h LEU 309 Cb 0.52 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2pnk h LEU 309 CO 0.03 0.83 0.34 0.58 -0.34 0.00 0.00 178.44 179.88 2pnk h VAL 310 N 0.65 1.03 -0.67 1.05 2.07 -0.97 -1.24 116.25 118.17 2pnk h VAL 310 Ca 0.14 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2pnk h VAL 310 Cb 0.40 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2pnk h VAL 310 CO 0.01 0.12 0.44 0.58 0.02 0.00 0.00 177.57 178.74 2pnk h VAL 311 N 0.66 1.17 -0.07 2.57 2.07 -0.85 -2.08 116.25 119.72 2pnk h VAL 311 Ca 0.24 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2pnk h VAL 311 Cb 0.06 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2pnk h VAL 311 CO -0.12 0.17 -0.08 0.25 0.02 0.00 0.00 177.57 177.81 2pnk h LEU 312 N 0.90 0.09 -0.70 2.57 5.85 -0.45 -1.03 115.31 122.55 2pnk h LEU 312 Ca 0.24 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 2pnk h LEU 312 Cb -0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2pnk h LEU 312 CO -0.05 0.19 -0.46 0.00 -0.34 0.00 0.00 178.44 177.78 2pnk h ALA 313 N 1.82 0.88 0.00 1.25 0.00 -0.75 -2.05 119.26 120.41 2pnk h ALA 313 Ca 0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2pnk h ALA 313 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pnk h ALA 313 CO 0.01 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.81 2pnk h ARG 314 N 0.36 0.00 0.01 0.00 3.08 -0.53 -3.13 114.38 114.18 2pnk h ARG 314 Ca 0.02 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.83 2pnk h ARG 314 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2pnk h ARG 314 CO 0.08 0.11 -1.25 0.87 -1.07 0.00 0.00 179.97 178.70 2pnk h LYS 315 N 0.00 0.02 -3.57 0.04 1.79 -1.07 -3.46 116.57 110.33 2pnk h LYS 315 Ca -0.00 -0.03 -0.49 0.00 -2.18 0.00 0.00 60.65 57.95 2pnk h LYS 315 Cb 0.21 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 30.48 2pnk h LYS 315 CO 0.01 0.85 -0.76 -0.06 -1.08 0.00 0.00 179.45 178.41 2pnk s PHE 316 N -2.67 0.85 -0.69 -1.35 0.08 -0.83 -5.01 117.98 108.36 2pnk s PHE 316 Ca -0.01 -0.59 0.25 0.00 0.12 0.00 0.00 56.93 56.69 2pnk s PHE 316 Cb 0.09 -0.93 0.91 0.00 -0.57 0.00 0.00 43.02 42.52 2pnk s PHE 316 CO 0.82 -0.51 1.75 -1.13 -0.10 0.00 0.00 175.22 176.05 2pnk n SER 317 N 5.10 0.61 -0.29 1.36 3.41 -1.26 -2.24 113.62 120.30 2pnk n SER 317 Ca -0.08 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 2pnk n SER 317 Cb 0.48 -0.74 0.42 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.11 0.87 -2.88 4.04 6.94 -1.26 -5.04 115.26 115.83 2pnk n ASN 318 Ca 0.04 -1.61 -0.06 0.00 -0.02 0.00 0.00 54.58 52.93 2pnk n ASN 318 Cb 0.33 -0.06 0.02 0.00 -2.36 0.00 0.00 39.78 37.70 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 -0.19 0.00 -3.67 -4.53 7.94 -0.95 -0.59 117.00 115.01 2pnk n LEU 319 Ca 0.14 -0.78 -0.15 0.00 -1.11 0.00 0.00 56.01 54.12 2pnk n LEU 319 Cb 0.20 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 43.96 2pnk n LEU 319 CO 0.11 -0.52 0.19 0.27 -1.11 0.00 0.00 177.39 176.33 2pnk s ILE 321 N -0.24 0.03 -0.08 1.96 -4.36 -1.26 -4.95 121.20 112.31 2pnk s ILE 321 Ca 0.16 -0.21 -0.07 0.00 -0.26 0.00 0.00 60.65 60.27 2pnk s ILE 321 Cb -0.01 -0.76 0.02 0.00 1.25 0.00 0.00 42.46 42.96 2pnk s ILE 321 CO 0.10 -0.12 0.20 0.72 0.24 0.00 0.00 174.94 176.09 2pnk s PHE 322 N -0.90 -0.22 0.08 1.37 -0.71 -0.97 -2.46 117.98 114.16 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 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.85 2pnk s PHE 322 CO 0.05 -0.11 0.00 0.41 -1.34 0.00 0.00 175.22 174.23 2pnk n GLY 323 N 2.99 -2.33 3.00 1.99 0.00 -0.12 -4.40 105.19 106.31 2pnk n GLY 323 Ca -0.13 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 0.47 3.37 0.00 0.00 -0.00 -1.26 -3.68 118.94 117.85 2pnk s TRP 325 Ca 0.13 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 2pnk s TRP 325 Cb -0.22 -3.14 0.00 0.00 -0.00 0.00 0.00 33.47 30.12 2pnk s TRP 325 CO -0.05 -0.37 0.00 1.87 -0.00 0.00 0.00 176.95 178.40 2pnk n TRP 326 N 5.80 0.00 -0.24 5.86 -0.00 -1.26 -3.98 117.44 123.61 2pnk n TRP 326 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.56 2pnk n TRP 326 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.75 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 -3.74 5.87 3.72 -1.26 -4.62 117.46 117.43 2pnk n PHE 327 Ca 0.00 -0.39 -0.27 0.00 -0.05 0.00 0.00 57.45 56.74 2pnk n PHE 327 Cb 0.00 -0.61 0.03 0.00 -0.94 0.00 0.00 39.48 37.95 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 2.54 -3.19 -4.00 4.37 5.15 -1.24 -5.02 115.26 113.86 2pnk n ASN 329 Ca 0.09 -0.96 -0.20 0.00 -0.60 0.00 0.00 54.58 52.90 2pnk n ASN 329 Cb 0.23 -3.51 -0.15 0.00 -0.53 0.00 0.00 39.78 35.82 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 -3.89 1.22 0.33 1.20 0.01 -1.26 -4.99 114.94 107.56 2pnk s ASN 330 Ca 0.25 -0.19 0.12 0.00 -0.71 0.00 0.00 52.86 52.34 2pnk s ASN 330 Cb -0.09 -0.34 1.04 0.00 0.41 0.00 0.00 41.25 42.28 2pnk s ASN 330 CO 0.85 0.06 1.63 -0.65 -1.51 0.00 0.00 177.10 177.49 2pnk h PRO 331 N 6.41 0.19 -0.85 -0.60 0.11 -1.98 0.17 132.00 135.44 2pnk h PRO 331 Ca -0.33 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2pnk h PRO 331 Cb 1.17 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2pnk h PRO 331 CO 0.49 0.12 0.41 1.49 -0.21 0.00 0.00 178.00 180.30 2pnk h GLU 332 N 0.19 1.23 0.16 1.05 4.57 -2.00 -1.67 114.58 118.11 2pnk h GLU 332 Ca 0.71 -0.18 -0.26 0.00 -1.18 0.00 0.00 59.36 58.46 2pnk h GLU 332 Cb 1.65 -0.22 0.02 0.00 -0.16 0.00 0.00 28.75 30.04 2pnk h GLU 332 CO -0.69 0.94 -1.19 0.82 -1.18 0.00 0.00 179.01 177.72 2pnk h ILE 333 N 1.22 1.30 -0.80 2.32 2.04 -1.16 -3.01 117.51 119.42 2pnk h ILE 333 Ca 0.29 -2.54 0.13 0.00 1.00 0.00 0.00 64.86 63.74 2pnk h ILE 333 Cb 0.12 3.01 -0.09 0.00 -0.74 0.00 0.00 36.82 39.12 2pnk h ILE 333 CO -0.04 0.75 0.39 0.40 0.00 0.00 0.00 178.15 179.65 2pnk h ILE 334 N -0.20 0.76 0.20 -0.67 2.04 -1.01 -2.62 117.51 116.00 2pnk h ILE 334 Ca -0.22 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2pnk h ILE 334 Cb 1.83 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2pnk h ILE 334 CO 0.16 0.11 -0.10 -1.13 0.00 0.00 0.00 178.15 177.19 2pnk h ASN 335 N 0.60 -0.23 0.00 1.72 -1.24 -1.37 -1.41 115.58 113.64 2pnk h ASN 335 Ca 0.42 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2pnk h ASN 335 Cb 0.56 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.67 2pnk h ASN 335 CO -0.34 0.01 0.00 -1.84 -1.29 0.00 0.00 177.43 173.97 2pnk n GLU 336 N -5.12 0.17 0.00 6.67 0.28 -0.99 -2.11 120.64 119.53 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 0.20 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.74 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 0.78 0.00 0.47 3.84 -1.04 -0.53 -4.63 114.28 113.17 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 0.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.47 -0.44 -2.82 1.74 -0.90 -4.59 116.66 110.13 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 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.42 -0.78 0.00 5.56 1.74 -1.26 -5.01 116.66 117.33 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 0.15 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 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 -0.44 -0.93 0.00 5.56 1.02 -1.26 -3.74 120.64 120.85 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 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 -5.17 117.00 110.72 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 4.33 1.14 -0.72 0.00 -1.24 -2.22 105.19 106.47 2pnk n GLY 346 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 1.12 -1.67 2.61 -2.24 -1.26 -4.72 114.28 108.12 2pnk n THR 347 Ca 0.00 -1.04 -0.31 0.00 -2.27 0.00 0.00 64.05 60.42 2pnk n THR 347 Cb 0.00 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.18 6.92 -3.86 3.42 3.41 -0.94 -4.70 113.62 119.04 2pnk n SER 348 Ca 0.20 -3.26 -0.08 0.00 -0.26 0.00 0.00 58.87 55.47 2pnk n SER 348 Cb 0.60 -1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.27 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 -1.86 0.15 -0.36 7.33 -0.71 -1.26 -4.84 117.98 116.43 2pnk s PHE 349 Ca 0.57 -0.57 -0.01 0.00 -1.04 0.00 0.00 56.93 55.88 2pnk s PHE 349 Cb 0.34 0.42 0.09 0.00 -1.21 0.00 0.00 43.02 42.66 2pnk s PHE 349 CO -0.21 -1.13 0.10 0.42 -1.34 0.00 0.00 175.22 173.07 2pnk s ILE 350 N -3.85 2.96 0.42 -4.49 1.01 -1.03 -4.72 121.20 111.50 2pnk s ILE 350 Ca 0.18 -1.90 0.11 0.00 0.00 0.00 0.00 60.65 59.03 2pnk s ILE 350 Cb -0.03 -2.95 0.19 0.00 0.01 0.00 0.00 42.46 39.67 2pnk s ILE 350 CO 0.09 -0.48 1.97 1.55 0.00 0.00 0.00 174.94 178.07 2pnk h PRO 351 N 7.94 0.19 -3.05 2.79 0.13 -1.87 -0.29 132.00 137.83 2pnk h PRO 351 Ca -0.14 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 2pnk h PRO 351 Cb 1.05 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 31.97 2pnk h PRO 351 CO 0.61 0.29 -0.16 -1.14 -0.23 0.00 0.00 178.00 177.37 2pnk s GLN 352 N -4.82 0.85 0.14 0.86 2.00 -1.26 -3.51 119.66 113.92 2pnk s GLN 352 Ca -0.05 -0.34 -0.03 0.00 -2.00 0.00 0.00 55.36 52.94 2pnk s GLN 352 Cb 0.16 0.38 -0.03 0.00 0.80 0.00 0.00 33.01 34.32 2pnk s GLN 352 CO 0.72 -0.28 0.13 -3.38 -0.50 0.00 0.00 175.29 171.98 2pnk s HIS 353 N -2.21 0.73 -0.14 1.67 -3.43 -1.26 -4.64 115.29 106.01 2pnk s HIS 353 Ca -0.07 -1.10 0.11 0.00 -0.80 0.00 0.00 55.06 53.21 2pnk s HIS 353 Cb -0.02 -0.35 -0.23 0.00 -1.43 0.00 0.00 32.58 30.55 2pnk s HIS 353 CO -0.01 -0.59 0.27 -1.13 -2.00 0.00 0.00 174.74 171.29 2pnk n SER 354 N -0.14 0.78 -2.16 7.38 3.41 -1.24 -4.70 113.62 116.96 2pnk n SER 354 Ca -0.06 0.15 -0.19 0.00 -0.26 0.00 0.00 58.87 58.52 2pnk n SER 354 Cb 0.64 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 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 -3.00 -5.25 -4.70 4.04 8.00 -0.35 -4.88 116.55 110.41 2pnk n ASP 355 Ca -0.29 0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.95 2pnk n ASP 355 Cb 1.09 -4.47 -0.03 0.00 -0.02 0.00 0.00 41.12 37.69 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 -1.15 2.40 -0.07 2.24 0.00 -1.26 -4.40 120.51 118.28 2pnk n ALA 356 Ca -0.21 0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 2pnk n ALA 356 Cb 0.65 -2.55 -0.13 0.00 0.00 0.00 0.00 19.45 17.42 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 4.78 1.16 -4.96 0.00 1.74 -1.26 0.18 116.66 118.30 2pnk n ARG 357 Ca 0.17 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 2pnk n ARG 357 Cb 0.36 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.53 2.73 0.17 1.55 1.01 -1.26 -4.33 120.40 117.74 2pnk s VAL 358 Ca -0.08 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 2pnk s VAL 358 Cb 0.06 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2pnk s VAL 358 CO 0.69 0.55 1.57 0.25 0.00 0.00 0.00 175.10 178.17 2pnk h LEU 359 N 6.25 -1.43 -2.65 3.92 5.85 -1.26 -0.84 115.31 125.16 2pnk h LEU 359 Ca -0.31 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2pnk h LEU 359 Cb 1.19 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2pnk h LEU 359 CO 0.52 -0.33 0.00 -0.33 -0.34 0.00 0.00 178.44 177.95 2pnk h GLU 360 N -0.23 0.00 -0.34 1.25 3.07 -1.94 -2.37 114.58 114.02 2pnk h GLU 360 Ca 0.18 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.14 2pnk h GLU 360 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2pnk h GLU 360 CO -0.67 0.00 0.27 1.96 -1.40 0.00 0.00 179.01 179.17 2pnk h GLN 361 N 0.00 0.00 -0.88 2.33 4.20 -1.54 -0.07 115.11 119.15 2pnk h GLN 361 Ca 0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 2pnk h GLN 361 Cb 0.08 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2pnk h GLN 361 CO 0.00 0.00 0.59 -0.07 -0.67 0.00 0.00 178.83 178.68 2pnk h LEU 362 N 0.00 0.30 0.24 1.46 3.38 -1.59 -0.14 115.31 118.95 2pnk h LEU 362 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2pnk h LEU 362 Cb 0.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2pnk h LEU 362 CO -0.00 0.12 -0.11 0.40 0.09 0.00 0.00 178.44 178.93 2pnk h ILE 363 N 0.30 0.82 -0.02 1.22 2.04 -1.24 -2.47 117.51 118.16 2pnk h ILE 363 Ca 0.45 -0.59 -0.23 0.00 1.00 0.00 0.00 64.86 65.49 2pnk h ILE 363 Cb 1.27 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2pnk h ILE 363 CO -0.13 0.13 -0.93 0.10 0.00 0.00 0.00 178.15 177.31 2pnk h TYR 364 N -0.63 0.76 -0.53 1.37 -0.00 -1.60 -1.60 116.97 114.74 2pnk h TYR 364 Ca -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 58.73 58.32 2pnk h TYR 364 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.06 2pnk h TYR 364 CO 0.02 1.22 0.33 0.87 -0.00 0.00 0.00 178.16 180.59 2pnk h LYS 365 N 0.31 0.63 0.09 0.10 1.79 -1.11 0.25 116.57 118.62 2pnk h LYS 365 Ca -0.09 -0.04 -0.28 0.00 -2.18 0.00 0.00 60.65 58.06 2pnk h LYS 365 Cb 1.57 -0.14 0.02 0.00 -1.58 0.00 0.00 32.23 32.10 2pnk h LYS 365 CO 0.17 0.42 -1.18 -1.49 -1.08 0.00 0.00 179.45 176.29 2pnk h TRP 366 N 0.65 0.93 0.01 -1.35 4.06 -1.50 -2.62 115.95 116.13 2pnk h TRP 366 Ca 0.21 -0.57 -0.00 0.00 2.06 0.00 0.00 58.89 60.59 2pnk h TRP 366 Cb 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 2pnk h TRP 366 CO -0.06 1.41 -0.00 0.45 -3.56 0.00 0.00 178.44 176.68 2pnk h HIS 367 N 0.27 -0.01 -0.54 0.49 3.86 -1.19 0.37 115.15 118.40 2pnk h HIS 367 Ca -0.16 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2pnk h HIS 367 Cb 1.84 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.28 2pnk h HIS 367 CO 0.10 0.16 0.30 0.45 0.86 0.00 0.00 177.93 179.80 2pnk h HIS 368 N -0.17 0.56 -0.02 2.45 3.86 -1.05 -2.45 115.15 118.31 2pnk h HIS 368 Ca -0.00 0.02 -0.22 0.00 -1.16 0.00 0.00 60.37 59.01 2pnk h HIS 368 Cb 0.17 -0.17 0.02 0.00 1.06 0.00 0.00 27.41 28.48 2pnk h HIS 368 CO -0.02 0.29 -0.86 0.77 0.86 0.00 0.00 177.93 178.98 2pnk h SER 369 N 0.59 0.79 -0.85 2.45 0.02 -1.41 -3.15 113.55 112.00 2pnk h SER 369 Ca 0.23 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2pnk h SER 369 Cb 0.09 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2pnk h SER 369 CO -0.13 1.41 0.50 0.11 -1.14 0.00 0.00 176.83 177.58 2pnk h LYS 370 N 0.25 1.16 -0.58 3.45 1.57 -0.83 0.19 116.57 121.79 2pnk h LYS 370 Ca -0.10 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 2pnk h LYS 370 Cb 1.52 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 2pnk h LYS 370 CO 0.17 0.82 0.15 0.66 -0.57 0.00 0.00 179.45 180.68 2pnk h SER 371 N 1.18 0.86 0.09 0.86 4.64 -1.45 0.17 113.55 119.90 2pnk h SER 371 Ca 0.30 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2pnk h SER 371 Cb -0.03 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2pnk h SER 371 CO -0.06 0.86 -0.05 0.40 -0.87 0.00 0.00 176.83 177.12 2pnk h ILE 372 N 0.82 1.02 -0.95 0.95 2.04 -1.43 -2.59 117.51 117.37 2pnk h ILE 372 Ca 0.18 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2pnk h ILE 372 Cb 0.32 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 2pnk h ILE 372 CO -0.00 0.10 0.62 0.40 0.00 0.00 0.00 178.15 179.27 2pnk h ILE 373 N -0.32 1.16 -0.65 -0.67 2.04 -0.82 -1.48 117.51 116.76 2pnk h ILE 373 Ca -0.01 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.48 2pnk h ILE 373 Cb 0.27 -0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2pnk h ILE 373 CO 0.02 0.22 0.39 0.00 0.00 0.00 0.00 178.15 178.78 2pnk h ALA 374 N 1.39 0.86 -0.57 1.87 0.00 -0.64 0.38 119.26 122.56 2pnk h ALA 374 Ca 0.38 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2pnk h ALA 374 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2pnk h ALA 374 CO -0.12 0.12 -0.03 1.49 0.00 0.00 0.00 179.25 180.71 2pnk h GLU 375 N 0.75 1.01 -0.03 0.00 4.57 -0.90 -0.59 114.58 119.39 2pnk h GLU 375 Ca 0.27 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2pnk h GLU 375 Cb 0.08 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2pnk h GLU 375 CO -0.13 1.01 0.02 0.28 -1.18 0.00 0.00 179.01 179.01 2pnk h VAL 376 N 0.92 1.05 -0.82 0.32 2.07 -0.93 -2.12 116.25 116.74 2pnk h VAL 376 Ca 0.16 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2pnk h VAL 376 Cb 0.57 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2pnk h VAL 376 CO 0.03 0.04 0.49 -0.07 0.02 0.00 0.00 177.57 178.09 2pnk h LEU 377 N -0.01 0.74 -0.55 2.57 3.38 -0.55 -1.43 115.31 119.46 2pnk h LEU 377 Ca 0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 377 Cb 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2pnk h LEU 377 CO -0.00 0.46 0.36 0.40 0.09 0.00 0.00 178.44 179.75 2pnk h ILE 378 N 0.87 1.13 -0.42 1.22 2.04 -0.88 0.46 117.51 121.93 2pnk h ILE 378 Ca 0.37 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2pnk h ILE 378 Cb 0.24 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2pnk h ILE 378 CO -0.20 0.14 0.28 0.44 0.00 0.00 0.00 178.15 178.80 2pnk h ASP 379 N 0.74 0.48 0.11 1.72 3.32 -0.68 -0.03 116.42 122.08 2pnk h ASP 379 Ca 0.21 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 2pnk h ASP 379 Cb -0.07 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.36 2pnk h ASP 379 CO -0.05 0.35 -0.87 0.11 -1.72 0.00 0.00 179.24 177.06 2pnk h LYS 380 N 0.57 0.58 -0.26 3.56 6.56 -0.71 -1.42 116.57 125.45 2pnk h LYS 380 Ca 0.16 -0.54 -0.03 0.00 -1.06 0.00 0.00 60.65 59.17 2pnk h LYS 380 Cb -0.06 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 2pnk h LYS 380 CO -0.04 1.16 0.04 1.88 -2.06 0.00 0.00 179.45 180.44 2pnk h TYR 381 N 0.37 0.46 -0.94 -1.35 0.05 -0.87 -2.74 116.97 111.94 2pnk h TYR 381 Ca -0.07 -0.06 0.08 0.00 0.05 0.00 0.00 58.73 58.72 2pnk h TYR 381 Cb 1.49 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 39.04 2pnk h TYR 381 CO 0.07 0.54 0.61 0.22 -1.05 0.00 0.00 178.16 178.55 2pnk h ASP 382 N 0.24 0.93 -0.85 3.88 3.58 -0.87 0.13 116.42 123.46 2pnk h ASP 382 Ca 0.08 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2pnk h ASP 382 Cb 0.33 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 2pnk h ASP 382 CO 0.01 0.58 0.42 0.44 -2.88 0.00 0.00 179.24 177.81 2pnk h ASP 383 N 1.05 1.11 0.91 2.28 3.32 -1.07 -0.52 116.42 123.49 2pnk h ASP 383 Ca 0.42 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 57.13 2pnk h ASP 383 Cb 0.25 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2pnk h ASP 383 CO -0.17 0.92 -0.97 0.16 -1.72 0.00 0.00 179.24 177.46 2pnk h ILE 384 N 1.21 1.66 -0.62 0.35 3.07 -1.08 -1.93 117.51 120.17 2pnk h ILE 384 Ca 0.29 -3.21 0.01 0.00 1.55 0.00 0.00 64.86 63.50 2pnk h ILE 384 Cb 0.10 2.76 -0.03 0.00 -0.27 0.00 0.00 36.82 39.38 2pnk h ILE 384 CO -0.04 0.92 0.41 -0.07 -1.05 0.00 0.00 178.15 178.32 2pnk h LEU 385 N 0.01 0.71 -1.64 0.16 3.38 -0.60 -1.14 115.31 116.20 2pnk h LEU 385 Ca -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2pnk h LEU 385 Cb 1.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2pnk h LEU 385 CO 0.13 0.52 -0.20 1.56 0.09 0.00 0.00 178.44 180.54 2pnk h GLN 386 N 0.84 0.00 0.00 1.13 1.08 -1.04 -0.45 115.11 116.67 2pnk h GLN 386 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2pnk h GLN 386 Cb -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2pnk h GLN 386 CO -0.05 0.20 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 2pnk n ALA 387 N -2.37 2.55 0.00 3.87 0.00 -0.73 -4.91 120.51 118.92 2pnk n ALA 387 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2pnk n ALA 387 Cb 0.29 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.97 0.57 3.75 0.00 0.00 -0.18 -5.06 105.19 105.23 2pnk n GLY 388 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.52 -0.61 1.61 -0.11 -0.49 -4.99 118.94 115.87 2pnk s TRP 389 Ca 0.00 1.57 -0.17 0.00 1.22 0.00 0.00 56.10 58.72 2pnk s TRP 389 Cb 0.00 -3.34 0.14 0.00 -1.50 0.00 0.00 33.47 28.76 2pnk s TRP 389 CO 0.00 -0.82 0.62 -1.21 -4.62 0.00 0.00 176.95 170.92 2pnk s GLU 390 N -0.71 3.11 0.13 5.86 0.41 -1.26 -4.02 118.70 122.23 2pnk s GLU 390 Ca 0.49 -1.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.04 2pnk s GLU 390 Cb -0.32 -4.33 -0.07 0.00 -1.78 0.00 0.00 34.13 27.64 2pnk s GLU 390 CO 0.38 -1.40 1.17 0.08 -0.49 0.00 0.00 175.26 175.00 2pnk s VAL 391 N 1.75 3.83 0.23 2.63 1.01 -1.26 -5.04 120.40 123.55 2pnk s VAL 391 Ca 0.09 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.57 2pnk s VAL 391 Cb -0.25 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2pnk s VAL 391 CO 0.02 0.19 0.32 0.42 0.00 0.00 0.00 175.10 176.04 2pnk s THR 392 N 0.35 5.09 0.34 3.92 -4.23 -1.26 -4.52 115.64 115.33 2pnk s THR 392 Ca 0.54 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.09 2pnk s THR 392 Cb -0.31 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 69.89 2pnk s THR 392 CO 0.33 -0.31 1.81 -0.08 -0.54 0.00 0.00 174.62 175.84 2pnk h GLU 393 N 1.36 0.26 -0.18 3.99 4.81 -2.00 -2.17 114.58 120.64 2pnk h GLU 393 Ca -0.51 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 58.53 2pnk h GLU 393 Cb 1.23 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2pnk h GLU 393 CO 0.62 0.50 -0.33 0.93 -0.73 0.00 0.00 179.01 180.00 2pnk h GLU 394 N 0.23 0.37 -0.47 1.92 4.39 -1.99 -1.59 114.58 117.45 2pnk h GLU 394 Ca 0.04 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 2pnk h GLU 394 Cb 0.58 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2pnk h GLU 394 CO 0.04 0.67 -0.01 0.93 -1.16 0.00 0.00 179.01 179.48 2pnk h GLU 395 N 0.32 0.84 -0.27 2.33 5.08 -1.86 -0.49 114.58 120.52 2pnk h GLU 395 Ca 0.04 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2pnk h GLU 395 Cb 0.75 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2pnk h GLU 395 CO 0.06 0.89 0.06 0.82 -1.00 0.00 0.00 179.01 179.84 2pnk h ILE 396 N 0.69 0.88 -0.51 3.13 2.04 -1.14 -1.39 117.51 121.21 2pnk h ILE 396 Ca 0.13 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2pnk h ILE 396 Cb 0.52 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2pnk h ILE 396 CO 0.03 0.03 0.29 0.11 0.00 0.00 0.00 178.15 178.61 2pnk h LYS 397 N 0.17 0.71 -0.43 2.37 1.57 -1.16 -0.44 116.57 119.35 2pnk h LYS 397 Ca 0.13 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2pnk h LYS 397 Cb 0.12 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2pnk h LYS 397 CO -0.16 0.54 0.13 -0.09 -0.57 0.00 0.00 179.45 179.30 2pnk h ARG 398 N 0.68 0.27 -0.58 3.15 2.43 -0.93 -0.74 114.38 118.66 2pnk h ARG 398 Ca 0.18 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2pnk h ARG 398 Cb 0.03 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2pnk h ARG 398 CO -0.03 0.18 0.12 -0.44 -1.51 0.00 0.00 179.97 178.29 2pnk h ASP 399 N 0.28 0.90 -0.66 -3.80 3.32 -0.69 -1.53 116.42 114.24 2pnk h ASP 399 Ca 0.21 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2pnk h ASP 399 Cb 0.23 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2pnk h ASP 399 CO -0.24 0.91 0.12 0.58 -1.72 0.00 0.00 179.24 178.89 2pnk h VAL 400 N 0.84 1.26 -0.93 -1.35 2.07 -0.90 -1.48 116.25 115.76 2pnk h VAL 400 Ca 0.18 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2pnk h VAL 400 Cb 0.38 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2pnk h VAL 400 CO 0.01 0.38 0.53 0.00 0.02 0.00 0.00 177.57 178.51 2pnk h ALA 401 N 1.09 1.19 -0.23 1.67 0.00 -0.83 -1.33 119.26 120.82 2pnk h ALA 401 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2pnk h ALA 401 Cb 0.42 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pnk h ALA 401 CO 0.01 0.67 0.06 -0.44 0.00 0.00 0.00 179.25 179.54 2pnk h ASP 402 N 1.29 0.36 -0.47 0.00 3.32 -0.72 0.66 116.42 120.85 2pnk h ASP 402 Ca 0.33 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2pnk h ASP 402 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2pnk h ASP 402 CO -0.06 0.50 0.03 -0.07 -1.72 0.00 0.00 179.24 177.92 2pnk h LEU 403 N 0.20 0.79 -0.09 1.55 3.38 -1.05 0.24 115.31 120.33 2pnk h LEU 403 Ca 0.07 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2pnk h LEU 403 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pnk h LEU 403 CO 0.00 0.88 -0.68 0.49 0.09 0.00 0.00 178.44 179.23 2pnk n PHE 404 N -4.39 0.00 0.06 1.13 3.72 -0.52 -4.17 117.46 113.29 2pnk n PHE 404 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2pnk n PHE 404 Cb 0.29 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.36 -0.84 0.10 4.37 2.88 -0.63 -1.24 113.62 116.90 2pnk n SER 405 Ca 0.06 0.22 -0.04 0.00 -1.33 0.00 0.00 58.87 57.77 2pnk n SER 405 Cb 0.34 1.04 0.06 0.00 -0.75 0.00 0.00 64.21 64.90 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 0.05 -0.90 -1.46 3.08 -0.82 -2.89 114.38 111.44 2pnk h ARG 406 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2pnk h ARG 406 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2pnk h ARG 406 CO 0.00 0.79 0.54 -0.91 -1.07 0.00 0.00 179.97 179.32 2pnk h ASN 407 N 0.03 1.08 0.45 7.04 2.35 -1.16 -0.60 115.58 124.77 2pnk h ASN 407 Ca -0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2pnk h ASN 407 Cb 1.35 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2pnk h ASN 407 CO 0.10 0.83 -0.21 0.15 -1.65 0.00 0.00 177.43 176.65 2pnk h PHE 408 N 1.24 -0.56 -0.15 1.19 3.57 -1.75 -1.64 116.94 118.83 2pnk h PHE 408 Ca 0.32 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 2pnk h PHE 408 Cb -0.05 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2pnk h PHE 408 CO 0.00 -0.28 -0.11 -1.49 -2.23 0.00 0.00 178.31 174.21 2pnk h TRP 409 N -0.74 0.24 -0.29 0.41 4.06 -1.45 -0.81 115.95 117.36 2pnk h TRP 409 Ca -0.06 -0.02 -0.17 0.00 2.06 0.00 0.00 58.89 60.70 2pnk h TRP 409 Cb 0.53 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 2pnk h TRP 409 CO -0.01 0.35 -0.48 -0.09 -3.56 0.00 0.00 178.44 174.64 2pnk h ARG 410 N 0.22 0.84 -0.42 0.49 2.43 -1.10 -2.43 114.38 114.41 2pnk h ARG 410 Ca 0.05 -0.51 -0.09 0.00 -0.81 0.00 0.00 59.98 58.61 2pnk h ARG 410 Cb 0.34 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2pnk h ARG 410 CO 0.02 1.15 -0.09 0.35 -1.51 0.00 0.00 179.97 179.88 2pnk h PHE 411 N 0.62 0.91 0.00 2.20 3.57 -0.34 -3.12 116.94 120.78 2pnk h PHE 411 Ca 0.02 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.33 2pnk h PHE 411 Cb 1.08 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2pnk h PHE 411 CO 0.07 0.92 0.00 1.33 -2.23 0.00 0.00 178.31 178.41 2pnk n VAL 412 N -4.31 0.36 -0.66 1.41 0.24 -0.40 -4.92 118.33 110.04 2pnk n VAL 412 Ca -0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2pnk n VAL 412 Cb 0.36 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 2pnk n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30