#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnk s ILE 3 N 0.00 5.18 -0.18 2.46 1.01 -1.06 -4.99 121.20 123.62 2pnk s ILE 3 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 2pnk s ILE 3 Cb 0.00 -3.68 0.09 0.00 0.01 0.00 0.00 42.46 38.88 2pnk s ILE 3 CO 0.00 -0.07 0.35 0.21 0.00 0.00 0.00 174.94 175.43 2pnk s ASN 4 N -2.79 0.13 0.00 3.58 3.04 -1.26 -4.87 114.94 112.77 2pnk s ASN 4 Ca 0.40 0.65 0.00 0.00 0.04 0.00 0.00 52.86 53.95 2pnk s ASN 4 Cb -0.12 1.04 0.00 0.00 -1.54 0.00 0.00 41.25 40.63 2pnk s ASN 4 CO 0.27 -0.25 0.00 -0.24 -3.04 0.00 0.00 177.10 173.84 2pnk n SER 5 N 5.37 0.00 -0.02 -4.21 2.88 -1.26 -4.82 113.62 111.55 2pnk n SER 5 Ca -0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 2pnk n SER 5 Cb 0.50 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.04 2pnk n SER 5 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2pnk h ARG 6 N 0.00 0.62 0.00 -1.46 2.43 -2.00 0.32 114.38 114.30 2pnk h ARG 6 Ca 0.00 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 2pnk h ARG 6 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2pnk h ARG 6 CO 0.00 0.92 -0.29 0.93 -1.51 0.00 0.00 179.97 180.03 2pnk h GLU 7 N 0.51 0.00 0.03 0.20 3.07 -1.97 0.61 114.58 117.03 2pnk h GLU 7 Ca 0.04 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.73 2pnk h GLU 7 Cb 0.94 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.86 2pnk h GLU 7 CO 0.08 0.29 -0.69 0.28 -1.40 0.00 0.00 179.01 177.58 2pnk h VAL 8 N 0.00 1.44 -0.63 3.13 2.07 -1.68 -3.06 116.25 117.51 2pnk h VAL 8 Ca -0.00 -2.20 0.07 0.00 0.82 0.00 0.00 66.70 65.39 2pnk h VAL 8 Cb 0.64 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 2pnk h VAL 8 CO 0.04 0.64 0.32 0.25 0.02 0.00 0.00 177.57 178.83 2pnk h LEU 9 N -0.13 0.44 -1.66 2.57 5.85 -0.23 -1.30 115.31 120.86 2pnk h LEU 9 Ca -0.10 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2pnk h LEU 9 Cb 1.42 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 2pnk h LEU 9 CO 0.13 0.28 0.41 0.00 -0.34 0.00 0.00 178.44 178.92 2pnk h ALA 10 N 1.36 2.05 0.00 1.25 0.00 0.19 -0.53 119.26 123.58 2pnk h ALA 10 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2pnk h ALA 10 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pnk h ALA 10 CO -0.21 -0.19 -1.73 0.39 0.00 0.00 0.00 179.25 177.50 2pnk n GLU 11 N -4.47 0.65 0.16 0.00 1.02 -0.83 -1.85 120.64 115.31 2pnk n GLU 11 Ca 0.10 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2pnk n GLU 11 Cb 0.40 -1.61 0.24 0.00 -0.02 0.00 0.00 31.44 30.45 2pnk n GLU 11 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2pnk h LYS 12 N 0.00 0.00 -0.01 3.49 1.79 -0.78 -1.89 116.57 119.16 2pnk h LYS 12 Ca -0.03 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 2pnk h LYS 12 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2pnk h LYS 12 CO 0.00 0.53 -0.22 0.28 -1.08 0.00 0.00 179.45 178.96 2pnk h VAL 13 N 0.00 1.53 -0.61 0.50 2.07 -1.18 -2.37 116.25 116.19 2pnk h VAL 13 Ca -0.01 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 2pnk h VAL 13 Cb 0.95 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 2pnk h VAL 13 CO 0.07 0.51 0.35 0.11 0.02 0.00 0.00 177.57 178.62 2pnk h LYS 14 N -0.48 0.84 -0.07 1.57 1.57 -1.39 0.19 116.57 118.80 2pnk h LYS 14 Ca -0.02 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 2pnk h LYS 14 Cb 0.95 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.10 2pnk h LYS 14 CO 0.04 0.61 -0.90 -0.91 -0.57 0.00 0.00 179.45 177.72 2pnk h ASN 15 N 0.85 0.86 -0.38 0.86 2.35 -1.44 -1.00 115.58 117.69 2pnk h ASN 15 Ca 0.22 -0.63 0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2pnk h ASN 15 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2pnk h ASN 15 CO -0.04 1.42 0.23 0.00 -1.65 0.00 0.00 177.43 177.40 2pnk h ALA 16 N 0.54 0.47 -0.13 -0.83 0.00 -0.90 -0.56 119.26 117.86 2pnk h ALA 16 Ca -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2pnk h ALA 16 Cb 1.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2pnk h ALA 16 CO 0.18 -0.10 0.05 0.28 0.00 0.00 0.00 179.25 179.66 2pnk h VAL 17 N 0.47 1.14 -0.49 0.00 2.07 -0.97 -1.50 116.25 116.97 2pnk h VAL 17 Ca 0.14 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2pnk h VAL 17 Cb -0.02 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2pnk h VAL 17 CO -0.05 0.13 0.06 0.78 0.02 0.00 0.00 177.57 178.50 2pnk h ASN 18 N 0.06 0.74 1.64 0.57 -0.26 -1.08 -3.07 115.58 114.18 2pnk h ASN 18 Ca 0.04 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2pnk h ASN 18 Cb 0.15 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2pnk h ASN 18 CO -0.00 0.77 -0.20 0.78 -1.06 0.00 0.00 177.43 177.72 2pnk h ASN 19 N 0.74 0.00 -2.75 5.81 2.35 -0.92 -3.45 115.58 117.35 2pnk h ASN 19 Ca 0.16 -0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.34 2pnk h ASN 19 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2pnk h ASN 19 CO 0.01 0.01 0.99 -1.58 -1.65 0.00 0.00 177.43 175.21 2pnk s GLN 20 N -3.20 4.21 0.28 0.81 2.00 -0.58 -4.98 119.66 118.21 2pnk s GLN 20 Ca 0.07 2.00 -0.30 0.00 -2.00 0.00 0.00 55.36 55.13 2pnk s GLN 20 Cb 0.08 -3.84 -0.11 0.00 0.80 0.00 0.00 33.01 29.94 2pnk s GLN 20 CO 0.67 -0.76 1.53 -2.14 -0.50 0.00 0.00 175.29 174.10 2pnk s PRO 21 N 3.57 4.18 -0.07 1.67 0.02 -1.26 -4.93 135.00 138.17 2pnk s PRO 21 Ca 0.66 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 64.02 2pnk s PRO 21 Cb -0.30 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 2pnk s PRO 21 CO 0.25 -0.55 0.34 0.08 -0.33 0.00 0.00 177.00 176.79 2pnk s VAL 22 N -0.06 5.19 -0.28 3.83 1.01 0.11 -4.69 120.40 125.50 2pnk s VAL 22 Ca 0.61 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 2pnk s VAL 22 Cb -0.45 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2pnk s VAL 22 CO 0.47 0.52 0.51 -0.89 0.00 0.00 0.00 175.10 175.71 2pnk s THR 23 N -0.58 5.06 0.47 3.92 2.01 -0.38 -1.45 115.64 124.70 2pnk s THR 23 Ca 0.21 0.76 0.05 0.00 0.31 0.00 0.00 61.69 63.02 2pnk s THR 23 Cb -0.15 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.53 2pnk s THR 23 CO 0.09 0.03 0.65 -0.62 -0.69 0.00 0.00 174.62 174.08 2pnk s ASP 24 N 1.60 5.51 -0.40 3.53 -1.08 -0.03 -4.73 116.67 121.07 2pnk s ASP 24 Ca 0.20 -0.23 -0.36 0.00 -0.52 0.00 0.00 52.55 51.65 2pnk s ASP 24 Cb -0.16 -0.78 -0.15 0.00 -1.46 0.00 0.00 42.92 40.37 2pnk s ASP 24 CO 0.10 -0.91 1.56 1.57 0.52 0.00 0.00 175.17 178.01 2pnk n HIS 26 N -2.05 1.06 -4.16 -5.34 -0.00 -1.26 -0.98 115.22 102.50 2pnk n HIS 26 Ca 0.08 0.70 -0.11 0.00 -0.00 0.00 0.00 57.72 58.39 2pnk n HIS 26 Cb 0.59 -1.80 -0.10 0.00 -0.00 0.00 0.00 29.99 28.69 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 4.02 0.05 -0.37 3.57 -4.23 -0.83 -1.38 115.64 116.48 2pnk s THR 27 Ca 0.91 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 2pnk s THR 27 Cb -1.19 -2.25 0.49 0.00 1.34 0.00 0.00 72.50 70.90 2pnk s THR 27 CO 0.56 -0.22 1.52 1.41 -0.54 0.00 0.00 174.62 177.35 2pnk n HIS 28 N -0.19 2.02 -3.53 3.99 8.25 0.91 -2.36 115.22 124.31 2pnk n HIS 28 Ca -0.02 -2.05 -0.21 0.00 -0.26 0.00 0.00 57.72 55.18 2pnk n HIS 28 Cb 0.65 -0.66 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.46 4.03 0.06 2.41 1.43 -1.15 -4.61 118.68 117.39 2pnk s LEU 29 Ca 0.51 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 2pnk s LEU 29 Cb 0.43 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 2pnk s LEU 29 CO 0.01 -0.34 -0.11 -0.36 0.23 0.00 0.00 176.35 175.78 2pnk s PHE 30 N -2.21 0.98 0.29 0.29 0.08 -1.26 -4.41 117.98 111.74 2pnk s PHE 30 Ca 0.41 -0.48 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 2pnk s PHE 30 Cb -0.09 -0.56 -0.13 0.00 -0.57 0.00 0.00 43.02 41.66 2pnk s PHE 30 CO 0.33 -0.00 1.18 0.45 -0.10 0.00 0.00 175.22 177.07 2pnk n SER 31 N 1.33 2.05 0.28 1.36 2.88 -1.26 -4.79 113.62 115.48 2pnk n SER 31 Ca -0.22 1.18 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 2pnk n SER 31 Cb 0.54 -1.37 0.84 0.00 -0.75 0.00 0.00 64.21 63.47 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 2.64 0.00 0.00 -1.46 0.13 -1.93 -1.64 132.00 129.75 2pnk h PRO 32 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2pnk h PRO 32 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2pnk h PRO 32 CO 0.64 0.06 0.00 0.27 -0.23 0.00 0.00 178.00 178.75 2pnk n ASN 33 N -3.64 0.08 0.00 1.44 6.94 -1.26 -1.35 115.26 117.47 2pnk n ASN 33 Ca -0.02 0.52 0.11 0.00 -0.02 0.00 0.00 54.58 55.17 2pnk n ASN 33 Cb 0.17 -0.54 0.60 0.00 -2.36 0.00 0.00 39.78 37.65 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 -1.59 0.00 -3.79 -2.53 3.01 -0.62 -5.00 117.46 106.94 2pnk n PHE 34 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2pnk n PHE 34 Cb 0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 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 0.58 0.22 0.00 1.37 0.00 -0.45 -4.24 105.19 102.67 2pnk n GLY 35 Ca 0.12 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 9.18 0.06 0.15 1.61 -0.58 -1.26 -2.36 120.64 127.43 2pnk n GLU 36 Ca 0.00 0.12 0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2pnk n GLU 36 Cb 0.00 -1.50 0.51 0.00 -0.57 0.00 0.00 31.44 29.88 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 -3.34 -3.67 3.07 -1.95 -3.38 117.51 108.24 2pnk h ILE 37 Ca 0.00 -0.27 -0.57 0.00 1.55 0.00 0.00 64.86 65.57 2pnk h ILE 37 Cb 0.34 1.05 -0.06 0.00 -0.27 0.00 0.00 36.82 37.88 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 -4.67 3.61 0.01 0.16 2.96 -1.00 -4.78 118.68 114.97 2pnk s LEU 38 Ca 0.04 0.79 -0.24 0.00 -0.22 0.00 0.00 54.13 54.50 2pnk s LEU 38 Cb 0.09 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2pnk s LEU 38 CO 0.42 -1.38 0.73 -0.76 -1.32 0.00 0.00 176.35 174.04 2pnk s LEU 39 N 5.21 4.41 0.07 -0.68 1.43 -1.26 -5.02 118.68 122.85 2pnk s LEU 39 Ca 0.59 1.35 -0.23 0.00 -1.03 0.00 0.00 54.13 54.81 2pnk s LEU 39 Cb -0.13 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 42.99 2pnk s LEU 39 CO 0.32 -0.01 0.55 -1.66 0.23 0.00 0.00 176.35 175.78 2pnk s TRP 40 N 0.16 -0.46 0.00 0.29 1.48 -1.26 -0.40 118.94 118.75 2pnk s TRP 40 Ca 0.38 0.46 0.00 0.00 -1.06 0.00 0.00 56.10 55.87 2pnk s TRP 40 Cb -0.20 0.40 0.00 0.00 -1.16 0.00 0.00 33.47 32.51 2pnk s TRP 40 CO 0.21 -0.70 0.00 -0.40 -4.06 0.00 0.00 176.95 172.00 2pnk n ASP 41 N 0.20 0.00 -0.04 -2.66 5.68 -1.26 -4.59 116.55 113.87 2pnk n ASP 41 Ca -0.18 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.12 2pnk n ASP 41 Cb 0.61 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.90 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 1.18 -0.63 2.12 6.09 -1.96 -0.79 117.51 123.52 2pnk h ILE 42 Ca 0.00 -0.58 -0.07 0.00 -1.37 0.00 0.00 64.86 62.84 2pnk h ILE 42 Cb 0.00 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 37.95 2pnk h ILE 42 CO 0.00 0.22 0.11 0.44 -3.07 0.00 0.00 178.15 175.85 2pnk h ASP 43 N 0.62 0.97 -0.40 2.19 3.32 -1.94 -0.01 116.42 121.17 2pnk h ASP 43 Ca 0.15 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2pnk h ASP 43 Cb 0.17 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2pnk h ASP 43 CO -0.01 0.96 0.07 -0.33 -1.72 0.00 0.00 179.24 178.20 2pnk h GLU 44 N 0.96 0.66 -0.47 3.56 4.39 -1.59 -2.26 114.58 119.83 2pnk h GLU 44 Ca 0.19 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.77 2pnk h GLU 44 Cb 0.40 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 2pnk h GLU 44 CO 0.01 0.71 0.19 -0.07 -1.16 0.00 0.00 179.01 178.69 2pnk h LEU 45 N 0.51 0.24 -1.17 1.33 3.38 -0.87 -1.71 115.31 117.02 2pnk h LEU 45 Ca 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2pnk h LEU 45 Cb 0.37 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2pnk h LEU 45 CO 0.01 0.17 -0.12 -0.07 0.09 0.00 0.00 178.44 178.52 2pnk h LEU 46 N 0.39 0.00 -2.67 1.67 3.38 -0.90 -3.07 115.31 114.11 2pnk h LEU 46 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pnk h LEU 46 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pnk h LEU 46 CO -0.19 0.12 0.00 0.35 0.09 0.00 0.00 178.44 178.80 2pnk n THR 47 N -3.24 0.88 -1.54 0.22 -2.24 -0.86 -4.67 114.28 102.83 2pnk n THR 47 Ca 0.01 -0.94 -0.44 0.00 -2.27 0.00 0.00 64.05 60.40 2pnk n THR 47 Cb 0.39 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 2pnk n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnk n TYR 48 N 1.26 0.66 0.28 4.78 9.36 -0.69 -4.72 117.16 128.10 2pnk n TYR 48 Ca 0.19 0.72 0.14 0.00 3.32 0.00 0.00 57.90 62.27 2pnk n TYR 48 Cb 0.55 -2.15 0.84 0.00 -0.63 0.00 0.00 39.34 37.95 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 1.57 0.00 -0.66 2.98 2.07 -1.92 0.49 115.15 119.68 2pnk h HIS 49 Ca -0.38 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.19 2pnk h HIS 49 Cb 1.37 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.29 2pnk h HIS 49 CO 0.44 0.04 0.37 1.88 -3.07 0.00 0.00 177.93 177.60 2pnk h TYR 50 N 0.00 0.69 0.00 6.12 -1.99 -1.96 -1.56 116.97 118.28 2pnk h TYR 50 Ca -0.00 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.60 2pnk h TYR 50 Cb 0.11 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 2pnk h TYR 50 CO 0.00 0.34 -0.75 -0.07 -0.00 0.00 0.00 178.16 177.68 2pnk h LEU 51 N 0.70 0.00 -0.20 3.88 3.38 -1.21 -3.10 115.31 118.76 2pnk h LEU 51 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2pnk h LEU 51 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2pnk h LEU 51 CO -0.17 0.75 0.11 0.58 0.09 0.00 0.00 178.44 179.80 2pnk h VAL 52 N 0.00 1.10 -0.33 1.22 2.07 -0.90 -0.21 116.25 119.20 2pnk h VAL 52 Ca -0.01 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2pnk h VAL 52 Cb 1.55 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 2pnk h VAL 52 CO 0.10 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.69 2pnk h ALA 53 N 1.01 0.21 -0.63 1.67 0.00 -1.33 -2.90 119.26 117.28 2pnk h ALA 53 Ca 0.07 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2pnk h ALA 53 Cb 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2pnk h ALA 53 CO -0.01 -0.47 0.04 0.93 0.00 0.00 0.00 179.25 179.74 2pnk h GLU 54 N -0.01 1.08 -2.20 0.00 5.08 -1.44 -3.09 114.58 114.00 2pnk h GLU 54 Ca 0.16 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2pnk h GLU 54 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2pnk h GLU 54 CO -0.35 1.03 0.04 1.55 -1.00 0.00 0.00 179.01 180.28 2pnk n VAL 55 N -4.19 1.03 0.00 3.13 3.14 -0.10 -3.64 118.33 117.69 2pnk n VAL 55 Ca 0.04 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 2pnk n VAL 55 Cb 0.33 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 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 2.13 0.00 -0.04 1.45 1.74 -1.17 -0.88 116.66 119.89 2pnk n ARG 57 Ca 0.07 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.09 2pnk n ARG 57 Cb 0.28 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.69 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 -2.68 -1.55 7.02 -1.24 -5.08 117.44 113.91 2pnk n TRP 58 Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 2pnk n TRP 58 Cb 0.00 -0.29 -0.05 0.00 -2.42 0.00 0.00 31.31 28.55 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 4.51 -0.49 -0.99 -1.32 -0.06 -4.97 115.64 110.17 2pnk s THR 59 Ca -0.10 1.26 0.26 0.00 -1.21 0.00 0.00 61.69 61.89 2pnk s THR 59 Cb 0.03 -3.66 0.31 0.00 -1.51 0.00 0.00 72.50 67.67 2pnk s THR 59 CO 0.17 -0.48 1.74 0.44 -2.21 0.00 0.00 174.62 174.28 2pnk h ASP 60 N 1.48 0.00 -3.11 8.08 3.32 -1.98 -3.46 116.42 120.75 2pnk h ASP 60 Ca -0.48 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.04 2pnk h ASP 60 Cb 1.18 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.75 2pnk h ASP 60 CO 0.62 0.00 0.65 -0.69 -1.72 0.00 0.00 179.24 178.10 2pnk s VAL 61 N -3.24 3.56 0.68 -1.35 1.01 -1.26 -4.99 120.40 114.81 2pnk s VAL 61 Ca 0.07 1.14 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 2pnk s VAL 61 Cb 0.09 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2pnk s VAL 61 CO 0.59 0.10 1.14 -0.94 0.00 0.00 0.00 175.10 175.98 2pnk s SER 62 N 0.99 4.83 0.40 3.32 1.04 -1.26 -4.86 113.70 118.17 2pnk s SER 62 Ca 0.61 2.12 0.12 0.00 0.48 0.00 0.00 55.95 59.29 2pnk s SER 62 Cb -0.34 -2.56 0.83 0.00 0.10 0.00 0.00 66.02 64.05 2pnk s SER 62 CO 0.31 -1.82 1.91 -0.29 0.98 0.00 0.00 173.24 174.32 2pnk h ILE 63 N -0.02 1.19 0.10 -1.02 6.09 -1.97 0.17 117.51 122.05 2pnk h ILE 63 Ca -0.47 -0.92 -0.01 0.00 -1.37 0.00 0.00 64.86 62.10 2pnk h ILE 63 Cb 1.26 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.99 2pnk h ILE 63 CO 0.53 0.27 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.49 2pnk h GLU 64 N 0.06 -0.13 -0.74 2.19 3.07 -1.93 -2.06 114.58 115.03 2pnk h GLU 64 Ca 0.01 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2pnk h GLU 64 Cb 0.47 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.36 2pnk h GLU 64 CO 0.03 0.19 0.49 0.00 -1.40 0.00 0.00 179.01 178.32 2pnk h ALA 65 N 0.39 1.76 -0.17 3.43 0.00 -1.84 -1.69 119.26 121.13 2pnk h ALA 65 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pnk h ALA 65 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2pnk h ALA 65 CO 0.02 0.11 0.04 0.35 0.00 0.00 0.00 179.25 179.77 2pnk h PHE 66 N 0.71 0.28 -0.01 0.00 3.57 -0.79 -2.52 116.94 118.19 2pnk h PHE 66 Ca 0.33 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 2pnk h PHE 66 Cb 0.36 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2pnk h PHE 66 CO -0.00 0.41 -0.23 -1.49 -2.23 0.00 0.00 178.31 174.77 2pnk h TRP 67 N 0.07 0.01 0.00 0.41 -0.00 -1.01 -3.44 115.95 111.99 2pnk h TRP 67 Ca 0.05 -0.00 -0.35 0.00 -0.00 0.00 0.00 58.89 58.59 2pnk h TRP 67 Cb 0.27 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.42 2pnk h TRP 67 CO 0.01 0.24 1.99 0.00 -0.00 0.00 0.00 178.44 180.68 2pnk n ALA 68 N -2.50 5.12 -2.76 1.49 0.00 -0.67 -5.04 120.51 116.16 2pnk n ALA 68 Ca -0.02 -2.00 -0.21 0.00 0.00 0.00 0.00 53.44 51.21 2pnk n ALA 68 Cb 0.28 -2.84 -0.03 0.00 0.00 0.00 0.00 19.45 16.86 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 2.89 5.84 0.30 0.00 1.04 -1.26 -5.08 113.70 117.42 2pnk s SER 70 Ca 0.46 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.73 2pnk s SER 70 Cb 0.15 -1.46 0.54 0.00 0.10 0.00 0.00 66.02 65.35 2pnk s SER 70 CO -0.03 -0.17 1.88 0.50 0.98 0.00 0.00 173.24 176.40 2pnk h LYS 71 N 1.23 0.98 -0.32 4.02 1.63 -1.96 0.27 116.57 122.42 2pnk h LYS 71 Ca -0.49 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.12 2pnk h LYS 71 Cb 1.24 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 2pnk h LYS 71 CO 0.59 0.65 -0.31 -0.09 -3.45 0.00 0.00 179.45 176.84 2pnk h ARG 72 N 1.01 0.78 -0.70 1.90 2.43 -1.99 -1.30 114.38 116.53 2pnk h ARG 72 Ca 0.43 -0.41 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2pnk h ARG 72 Cb 0.33 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2pnk h ARG 72 CO -0.19 1.03 0.23 0.93 -1.51 0.00 0.00 179.97 180.47 2pnk h GLU 73 N 0.55 1.07 -0.05 0.20 5.08 -1.88 0.59 114.58 120.15 2pnk h GLU 73 Ca 0.05 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2pnk h GLU 73 Cb 0.88 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2pnk h GLU 73 CO 0.08 0.91 0.03 1.96 -1.00 0.00 0.00 179.01 180.99 2pnk h GLN 74 N 1.01 0.06 -0.47 2.33 4.20 -0.88 -1.24 115.11 120.13 2pnk h GLN 74 Ca 0.23 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.98 2pnk h GLN 74 Cb 0.28 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2pnk h GLN 74 CO -0.01 0.08 0.20 0.00 -0.67 0.00 0.00 178.83 178.43 2pnk h ALA 75 N 0.98 0.58 -0.70 3.87 0.00 -1.06 -0.77 119.26 122.16 2pnk h ALA 75 Ca 0.02 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2pnk h ALA 75 Cb 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2pnk h ALA 75 CO -0.00 -0.17 0.38 -0.44 0.00 0.00 0.00 179.25 179.01 2pnk h ASP 76 N 0.40 0.54 -0.17 0.00 3.32 -0.72 -0.61 116.42 119.17 2pnk h ASP 76 Ca 0.21 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2pnk h ASP 76 Cb 0.17 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2pnk h ASP 76 CO -0.19 0.33 0.05 0.25 -1.72 0.00 0.00 179.24 177.96 2pnk h LEU 77 N 0.67 0.25 -0.56 1.55 5.85 -0.60 -1.98 115.31 120.50 2pnk h LEU 77 Ca 0.32 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2pnk h LEU 77 Cb 0.26 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2pnk h LEU 77 CO -0.21 0.41 0.35 0.40 -0.34 0.00 0.00 178.44 179.04 2pnk h ILE 78 N 0.09 1.16 -0.10 4.05 2.04 -0.93 -0.91 117.51 122.91 2pnk h ILE 78 Ca 0.05 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2pnk h ILE 78 Cb 0.25 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2pnk h ILE 78 CO -0.00 0.16 -0.24 -0.25 0.00 0.00 0.00 178.15 177.82 2pnk h TRP 79 N 0.75 -0.65 -0.40 1.37 2.91 -1.04 -0.94 115.95 117.95 2pnk h TRP 79 Ca 0.20 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.23 2pnk h TRP 79 Cb -0.04 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 2pnk h TRP 79 CO -0.03 -0.33 0.18 1.49 -1.03 0.00 0.00 178.44 178.73 2pnk h GLU 80 N -0.32 0.58 0.05 2.65 4.57 -0.97 -1.44 114.58 119.70 2pnk h GLU 80 Ca 0.09 -0.09 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 2pnk h GLU 80 Cb 0.46 -0.10 0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2pnk h GLU 80 CO -0.29 0.53 -1.11 0.93 -1.18 0.00 0.00 179.01 177.89 2pnk h GLU 81 N 0.50 0.58 0.00 1.92 4.39 -1.07 -0.32 114.58 120.58 2pnk h GLU 81 Ca 0.14 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2pnk h GLU 81 Cb 0.14 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pnk h GLU 81 CO -0.02 1.29 -1.68 1.28 -1.16 0.00 0.00 179.01 178.73 2pnk n LEU 82 N -3.78 0.15 -0.06 1.33 4.77 -0.37 -3.70 117.00 115.33 2pnk n LEU 82 Ca -0.11 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.70 2pnk n LEU 82 Cb 0.92 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.95 2pnk n LEU 82 CO 0.56 0.04 -0.90 0.49 -1.33 0.00 0.00 177.39 176.25 2pnk n PHE 83 N -2.02 0.00 -0.08 -1.77 3.01 -0.58 -3.35 117.46 112.67 2pnk n PHE 83 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 2pnk n PHE 83 Cb 0.45 -0.48 -0.12 0.00 -0.01 0.00 0.00 39.48 39.32 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 -2.79 1.61 0.15 4.37 2.08 -0.98 -4.34 119.36 119.45 2pnk n ILE 84 Ca -0.21 -0.38 0.05 0.00 0.56 0.00 0.00 62.75 62.77 2pnk n ILE 84 Cb 0.75 -1.82 0.05 0.00 -0.75 0.00 0.00 39.64 37.87 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 -0.50 0.00 -4.48 0.38 1.57 -1.22 -3.44 116.57 108.88 2pnk h LYS 85 Ca -0.47 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.08 2pnk h LYS 85 Cb 1.69 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.81 2pnk h LYS 85 CO -0.13 0.32 -0.71 1.03 -0.57 0.00 0.00 179.45 179.38 2pnk s ARG 86 N -3.05 0.60 0.30 3.15 3.00 -1.24 -5.05 118.95 116.66 2pnk s ARG 86 Ca 0.04 -0.95 -0.29 0.00 0.00 0.00 0.00 55.73 54.53 2pnk s ARG 86 Cb 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 34.95 34.76 2pnk s ARG 86 CO 0.73 0.00 1.36 -1.12 0.00 0.00 0.00 175.30 176.27 2pnk s SER 87 N -2.13 6.72 -1.36 0.23 0.01 -1.26 -3.42 113.70 112.49 2pnk s SER 87 Ca -0.03 2.69 -0.09 0.00 1.31 0.00 0.00 55.95 59.84 2pnk s SER 87 Cb -0.04 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 2pnk s SER 87 CO -0.02 -0.61 2.81 -0.81 0.41 0.00 0.00 173.24 175.02 2pnk n PRO 88 N 1.34 3.23 0.08 12.44 -0.04 -1.21 -4.62 135.00 146.21 2pnk n PRO 88 Ca 0.02 -1.95 0.12 0.00 -0.04 0.00 0.00 63.50 61.66 2pnk n PRO 88 Cb 0.41 -2.66 0.19 0.00 -0.04 0.00 0.00 33.50 31.40 2pnk n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pnk h VAL 89 N 3.03 0.00 -4.18 0.52 -1.51 -1.90 -3.11 116.25 109.10 2pnk h VAL 89 Ca 0.75 -0.55 -0.52 0.00 -1.23 0.00 0.00 66.70 65.15 2pnk h VAL 89 Cb 0.33 1.20 0.13 0.00 -2.13 0.00 0.00 31.29 30.83 2pnk h VAL 89 CO 1.61 0.00 0.39 -0.94 -1.23 0.00 0.00 177.57 177.39 2pnk s SER 90 N -4.44 4.63 0.23 4.19 1.04 -1.26 -4.78 113.70 113.31 2pnk s SER 90 Ca 0.06 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 2pnk s SER 90 Cb 0.13 -2.57 0.33 0.00 0.10 0.00 0.00 66.02 64.00 2pnk s SER 90 CO 0.71 -1.96 1.81 -0.08 0.98 0.00 0.00 173.24 174.69 2pnk h GLU 91 N -0.08 0.74 -0.65 4.02 4.57 -1.97 0.43 114.58 121.63 2pnk h GLU 91 Ca -0.47 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 2pnk h GLU 91 Cb 1.27 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2pnk h GLU 91 CO 0.52 0.49 0.33 0.00 -1.18 0.00 0.00 179.01 179.16 2pnk h ALA 92 N 1.41 0.83 -0.10 2.92 0.00 -1.95 0.21 119.26 122.58 2pnk h ALA 92 Ca 0.36 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pnk h ALA 92 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pnk h ALA 92 CO -0.22 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 2pnk h ARG 94 N -0.12 0.43 -0.73 0.00 2.43 -0.85 -1.71 114.38 113.82 2pnk h ARG 94 Ca -0.00 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 2pnk h ARG 94 Cb 0.83 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.20 2pnk h ARG 94 CO 0.05 0.29 0.29 0.78 -1.51 0.00 0.00 179.97 179.87 2pnk h GLY 95 N 0.45 1.10 0.67 2.80 0.00 -0.75 -0.93 103.07 106.41 2pnk h GLY 95 Ca 0.33 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.58 2pnk h GLY 95 CO -0.32 -0.08 0.46 -2.08 0.00 0.00 0.00 176.54 174.53 2pnk h VAL 96 N 0.45 0.99 -0.36 4.60 2.07 -1.04 -1.65 116.25 121.30 2pnk h VAL 96 Ca 0.40 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 2pnk h VAL 96 Cb 0.58 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2pnk h VAL 96 CO -0.38 0.15 -0.19 -0.07 0.02 0.00 0.00 177.57 177.10 2pnk h LEU 97 N 0.83 0.80 -0.85 2.57 3.38 -1.01 -2.17 115.31 118.85 2pnk h LEU 97 Ca 0.35 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2pnk h LEU 97 Cb 0.21 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2pnk h LEU 97 CO -0.19 1.04 0.51 0.74 0.09 0.00 0.00 178.44 180.63 2pnk h THR 98 N 0.56 0.95 -0.16 0.22 2.02 -0.87 -1.02 112.91 114.61 2pnk h THR 98 Ca 0.08 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2pnk h THR 98 Cb 0.74 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2pnk h THR 98 CO 0.06 0.16 0.05 0.00 0.37 0.00 0.00 175.52 176.16 2pnk h LEU 100 N 0.09 -0.04 -0.38 0.00 3.38 -1.08 -1.77 115.31 115.51 2pnk h LEU 100 Ca 0.05 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2pnk h LEU 100 Cb 0.21 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2pnk h LEU 100 CO -0.00 -0.01 0.06 -0.61 0.09 0.00 0.00 178.44 177.97 2pnk h GLN 101 N 0.02 0.18 -0.89 1.13 4.15 -1.06 -0.92 115.11 117.71 2pnk h GLN 101 Ca 0.03 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.60 2pnk h GLN 101 Cb 0.04 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 2pnk h GLN 101 CO -0.06 0.12 0.58 0.78 -1.93 0.00 0.00 178.83 178.32 2pnk h GLY 102 N 0.19 1.15 0.70 2.39 0.00 -0.41 -0.45 103.07 106.64 2pnk h GLY 102 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2pnk h GLY 102 CO -0.25 0.06 -0.03 1.04 0.00 0.00 0.00 176.54 177.36 2pnk n LEU 103 N -4.56 0.46 0.00 3.11 4.77 -0.71 -4.89 117.00 115.19 2pnk n LEU 103 Ca 0.18 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2pnk n LEU 103 Cb 0.52 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2pnk n LEU 103 CO 0.29 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2pnk n GLY 104 N 1.15 0.74 3.86 -0.72 0.00 -0.18 -5.06 105.19 104.97 2pnk n GLY 104 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2pnk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnk s LEU 105 N 0.00 3.71 -0.34 0.99 1.43 -0.41 -4.99 118.68 119.08 2pnk s LEU 105 Ca 0.00 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.40 2pnk s LEU 105 Cb 0.00 -4.28 0.04 0.00 0.03 0.00 0.00 46.19 41.98 2pnk s LEU 105 CO 0.00 -0.51 0.11 -0.62 0.23 0.00 0.00 176.35 175.56 2pnk s ASP 106 N -3.13 5.32 0.39 2.29 2.15 -1.26 -3.60 116.67 118.83 2pnk s ASP 106 Ca 0.55 -1.15 0.28 0.00 0.43 0.00 0.00 52.55 52.66 2pnk s ASP 106 Cb -0.10 -1.87 1.32 0.00 -0.30 0.00 0.00 42.92 41.97 2pnk s ASP 106 CO 0.32 -0.33 1.85 -0.65 -0.17 0.00 0.00 175.17 176.19 2pnk h PRO 107 N 8.22 0.00 -0.42 4.34 0.11 -1.91 -2.94 132.00 139.40 2pnk h PRO 107 Ca -0.23 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.90 2pnk h PRO 107 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2pnk h PRO 107 CO 0.60 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 178.68 2pnk h ALA 108 N 2.10 1.77 0.00 -0.75 0.00 -2.01 -2.45 119.26 117.93 2pnk h ALA 108 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pnk h ALA 108 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pnk h ALA 108 CO 0.00 0.19 -0.01 1.79 0.00 0.00 0.00 179.25 181.22 2pnk h THR 109 N 0.50 0.00 -2.90 0.00 1.35 -1.96 -3.47 112.91 106.43 2pnk h THR 109 Ca 0.17 -0.94 -0.34 0.00 -0.55 0.00 0.00 66.41 64.75 2pnk h THR 109 Cb 0.04 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 2pnk h THR 109 CO -0.04 0.00 -0.40 0.54 -0.25 0.00 0.00 175.52 175.37 2pnk n ARG 110 N -3.00 -1.81 -3.11 4.72 1.74 -0.92 -4.89 116.66 109.39 2pnk n ARG 110 Ca 0.04 0.85 -0.45 0.00 -0.77 0.00 0.00 57.85 57.53 2pnk n ARG 110 Cb 0.52 -5.42 -0.01 0.00 -1.02 0.00 0.00 32.46 26.53 2pnk n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnk s ASP 111 N -2.13 6.92 0.31 0.55 -1.08 -1.26 -4.86 116.67 115.12 2pnk s ASP 111 Ca 0.00 -2.77 0.01 0.00 -0.52 0.00 0.00 52.55 49.26 2pnk s ASP 111 Cb 0.00 -2.32 0.49 0.00 -1.46 0.00 0.00 42.92 39.64 2pnk s ASP 111 CO 0.00 -0.70 1.87 0.25 0.52 0.00 0.00 175.17 177.11 2pnk h LEU 112 N 8.82 0.69 -0.81 -1.34 5.85 -1.98 -1.92 115.31 124.61 2pnk h LEU 112 Ca 0.19 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2pnk h LEU 112 Cb 0.96 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2pnk h LEU 112 CO 1.04 0.67 0.20 -0.61 -0.34 0.00 0.00 178.44 179.40 2pnk h GLN 113 N 0.73 1.08 -0.24 1.25 5.75 -2.00 -1.26 115.11 120.42 2pnk h GLN 113 Ca 0.17 -0.24 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 2pnk h GLN 113 Cb 0.24 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 2pnk h GLN 113 CO -0.01 0.94 -0.39 0.28 -2.65 0.00 0.00 178.83 177.00 2pnk h VAL 114 N 1.04 1.30 -0.65 2.39 2.07 -1.83 -2.80 116.25 117.77 2pnk h VAL 114 Ca 0.22 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2pnk h VAL 114 Cb 0.32 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2pnk h VAL 114 CO -0.00 0.49 0.35 1.88 0.02 0.00 0.00 177.57 180.31 2pnk h TYR 115 N 0.47 0.89 -0.61 1.57 0.05 -0.93 -2.56 116.97 115.86 2pnk h TYR 115 Ca 0.04 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2pnk h TYR 115 Cb 0.89 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.31 2pnk h TYR 115 CO 0.04 0.64 0.40 0.00 -1.05 0.00 0.00 178.16 178.19 2pnk h ARG 116 N 0.88 0.63 -0.20 4.88 3.08 -1.11 -1.93 114.38 120.61 2pnk h ARG 116 Ca 0.23 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2pnk h ARG 116 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2pnk h ARG 116 CO -0.04 0.42 -0.05 0.93 -1.07 0.00 0.00 179.97 180.16 2pnk h GLU 117 N 0.65 0.30 -0.76 0.04 5.08 -1.19 -2.56 114.58 116.13 2pnk h GLU 117 Ca 0.25 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2pnk h GLU 117 Cb 0.19 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2pnk h GLU 117 CO -0.07 0.37 0.46 -0.92 -1.00 0.00 0.00 179.01 177.85 2pnk h TYR 118 N 0.29 0.86 0.00 4.33 5.03 -1.28 -3.11 116.97 123.10 2pnk h TYR 118 Ca 0.06 0.03 -0.25 0.00 2.58 0.00 0.00 58.73 61.16 2pnk h TYR 118 Cb 0.28 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 2pnk h TYR 118 CO 0.01 0.45 -1.29 0.74 -1.32 0.00 0.00 178.16 176.74 2pnk h PHE 119 N 0.87 0.02 -0.04 -3.82 0.04 -1.54 -3.23 116.94 109.24 2pnk h PHE 119 Ca 0.32 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.09 2pnk h PHE 119 Cb 0.11 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 2pnk h PHE 119 CO -0.05 1.01 0.07 0.00 -0.60 0.00 0.00 178.31 178.75 2pnk h ALA 120 N 0.98 1.35 -0.00 2.45 0.00 -1.40 -2.94 119.26 119.70 2pnk h ALA 120 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pnk h ALA 120 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2pnk h ALA 120 CO 0.11 -0.09 -0.28 1.63 0.00 0.00 0.00 179.25 180.62 2pnk n LYS 121 N -3.43 0.12 -4.35 0.00 5.02 -1.22 -4.95 118.16 109.36 2pnk n LYS 121 Ca -0.02 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 2pnk n LYS 121 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 2pnk n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pnk s LYS 122 N -2.91 1.90 0.59 1.97 1.02 -1.11 -5.14 119.74 116.05 2pnk s LYS 122 Ca 0.15 -1.43 -0.03 0.00 0.02 0.00 0.00 55.97 54.68 2pnk s LYS 122 Cb 0.18 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.50 2pnk s LYS 122 CO 0.61 0.40 0.86 0.95 -0.92 0.00 0.00 175.35 177.25 2pnk s THR 123 N -1.90 3.02 0.28 2.17 -4.23 -1.26 -4.98 115.64 108.74 2pnk s THR 123 Ca 0.25 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 2pnk s THR 123 Cb -0.08 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 70.83 2pnk s THR 123 CO 0.14 -0.18 1.95 0.28 -0.54 0.00 0.00 174.62 176.28 2pnk h SER 124 N -0.14 1.04 -0.33 3.99 0.02 -1.97 -2.10 113.55 114.06 2pnk h SER 124 Ca -0.44 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 2pnk h SER 124 Cb 1.28 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2pnk h SER 124 CO 0.58 0.75 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.56 2pnk h GLU 125 N 1.23 0.67 -0.70 3.45 3.07 -1.95 -0.64 114.58 119.71 2pnk h GLU 125 Ca 0.34 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2pnk h GLU 125 Cb -0.12 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 2pnk h GLU 125 CO -0.08 0.87 0.43 0.93 -1.40 0.00 0.00 179.01 179.76 2pnk h GLU 126 N 0.45 0.95 -0.22 2.33 5.08 -1.90 -1.29 114.58 119.97 2pnk h GLU 126 Ca 0.08 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2pnk h GLU 126 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2pnk h GLU 126 CO 0.04 0.66 -0.39 0.37 -1.00 0.00 0.00 179.01 178.70 2pnk h GLN 127 N 0.96 0.49 -0.40 2.33 5.75 -1.11 -0.38 115.11 122.75 2pnk h GLN 127 Ca 0.25 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2pnk h GLN 127 Cb -0.05 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2pnk h GLN 127 CO -0.05 0.80 0.19 0.28 -2.65 0.00 0.00 178.83 177.40 2pnk h VAL 128 N 0.41 1.17 -0.34 2.39 2.07 -0.89 0.13 116.25 121.19 2pnk h VAL 128 Ca 0.04 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2pnk h VAL 128 Cb 0.86 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2pnk h VAL 128 CO 0.07 0.19 0.13 0.44 0.02 0.00 0.00 177.57 178.42 2pnk h ASP 129 N 0.50 0.16 0.01 0.57 3.32 -0.82 -1.46 116.42 118.71 2pnk h ASP 129 Ca 0.14 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2pnk h ASP 129 Cb 0.12 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2pnk h ASP 129 CO -0.02 0.13 -0.00 0.74 -1.72 0.00 0.00 179.24 178.37 2pnk h THR 130 N 0.29 1.05 -0.39 0.35 2.02 -0.91 -2.56 112.91 112.76 2pnk h THR 130 Ca 0.15 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 2pnk h THR 130 Cb 0.11 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2pnk h THR 130 CO -0.14 0.05 -0.20 0.58 0.37 0.00 0.00 175.52 176.18 2pnk h VAL 131 N -0.09 1.28 -0.25 3.16 2.07 -0.88 -0.64 116.25 120.91 2pnk h VAL 131 Ca -0.00 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 2pnk h VAL 131 Cb 0.09 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2pnk h VAL 131 CO 0.00 0.44 -0.28 -0.07 0.02 0.00 0.00 177.57 177.69 2pnk h LEU 132 N 0.63 0.51 -0.01 2.57 3.38 -1.28 0.44 115.31 121.55 2pnk h LEU 132 Ca 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2pnk h LEU 132 Cb 0.75 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2pnk h LEU 132 CO 0.06 0.77 0.00 -0.61 0.09 0.00 0.00 178.44 178.75 2pnk h GLN 133 N 0.43 0.01 -0.45 1.13 4.15 -1.32 -0.59 115.11 118.47 2pnk h GLN 133 Ca 0.06 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2pnk h GLN 133 Cb 0.72 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2pnk h GLN 133 CO 0.05 0.25 0.05 -0.07 -1.93 0.00 0.00 178.83 177.19 2pnk h LEU 134 N -0.23 0.67 -0.28 -2.39 3.38 -0.79 -2.47 115.31 113.20 2pnk h LEU 134 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pnk h LEU 134 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pnk h LEU 134 CO 0.00 0.70 -0.27 0.00 0.09 0.00 0.00 178.44 178.97 2pnk n ALA 135 N -2.47 3.07 -3.63 1.53 0.00 0.12 -4.96 120.51 114.16 2pnk n ALA 135 Ca 0.03 -0.34 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2pnk n ALA 135 Cb 0.25 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.55 2pnk n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pnk n ASN 136 N -0.98 -1.54 -4.31 0.00 5.15 -0.35 -4.83 115.26 108.40 2pnk n ASN 136 Ca 0.11 -0.76 -0.37 0.00 -0.60 0.00 0.00 54.58 52.95 2pnk n ASN 136 Cb 0.33 -4.35 -0.13 0.00 -0.53 0.00 0.00 39.78 35.10 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 -3.58 3.83 0.03 3.44 1.01 -0.49 -0.71 120.40 123.94 2pnk s VAL 137 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2pnk s VAL 137 Cb -0.01 -3.03 -0.24 0.00 0.00 0.00 0.00 36.38 33.10 2pnk s VAL 137 CO 0.79 0.02 0.94 0.77 0.00 0.00 0.00 175.10 177.62 2pnk h SER 138 N 8.21 0.12 -3.46 3.32 4.64 -1.54 -3.44 113.55 121.40 2pnk h SER 138 Ca -0.29 -0.17 -0.24 0.00 -0.47 0.00 0.00 61.79 60.62 2pnk h SER 138 Cb 1.11 -0.04 -0.31 0.00 -0.31 0.00 0.00 62.40 62.85 2pnk h SER 138 CO 0.60 1.14 -0.60 -1.81 -0.87 0.00 0.00 176.83 175.30 2pnk s ASP 139 N -6.58 -0.11 -0.14 4.97 1.01 -1.15 -4.71 116.67 109.97 2pnk s ASP 139 Ca -0.04 0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.53 2pnk s ASP 139 Cb 0.08 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.21 2pnk s ASP 139 CO 0.83 -0.14 -0.19 -0.69 0.21 0.00 0.00 175.17 175.20 2pnk s VAL 140 N 1.07 2.41 0.62 -1.27 1.01 0.20 -0.86 120.40 123.58 2pnk s VAL 140 Ca -0.08 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2pnk s VAL 140 Cb -0.11 -1.99 0.09 0.00 0.00 0.00 0.00 36.38 34.38 2pnk s VAL 140 CO -0.05 0.53 0.86 -0.69 0.00 0.00 0.00 175.10 175.75 2pnk s VAL 141 N 0.70 2.29 -0.19 2.92 1.01 -0.15 -0.15 120.40 126.84 2pnk s VAL 141 Ca -0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2pnk s VAL 141 Cb -0.16 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.76 2pnk s VAL 141 CO 0.01 0.00 0.03 -0.89 0.00 0.00 0.00 175.10 174.25 2pnk s THR 143 N -2.86 0.56 -0.27 3.92 2.01 -0.99 -1.95 115.64 116.05 2pnk s THR 143 Ca 0.63 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 2pnk s THR 143 Cb -0.07 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.45 2pnk s THR 143 CO 0.41 -0.16 -0.02 0.20 -0.69 0.00 0.00 174.62 174.36 2pnk s ASN 144 N 1.85 4.60 -0.42 3.53 -0.87 0.05 -4.95 114.94 118.73 2pnk s ASN 144 Ca -0.01 -0.91 -0.07 0.00 -1.57 0.00 0.00 52.86 50.30 2pnk s ASN 144 Cb -0.17 -1.72 0.09 0.00 -0.02 0.00 0.00 41.25 39.44 2pnk s ASN 144 CO -0.08 -0.17 0.24 -0.62 -2.57 0.00 0.00 177.10 173.90 2pnk s ASP 145 N 1.35 5.49 0.00 -1.22 -1.08 -1.26 -0.07 116.67 119.88 2pnk s ASP 145 Ca -0.00 -1.70 0.14 0.00 -0.52 0.00 0.00 52.55 50.47 2pnk s ASP 145 Cb -0.17 -1.93 0.68 0.00 -1.46 0.00 0.00 42.92 40.04 2pnk s ASP 145 CO -0.02 -0.54 1.43 -0.81 0.52 0.00 0.00 175.17 175.74 2pnk n PRO 146 N 4.81 0.12 0.02 4.34 -0.04 -1.26 -1.80 135.00 141.18 2pnk n PRO 146 Ca -0.08 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2pnk n PRO 146 Cb 0.42 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.67 2pnk n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pnk n PHE 147 N -1.38 0.20 -2.75 0.54 3.72 -1.26 -4.76 117.46 111.77 2pnk n PHE 147 Ca 0.05 0.06 -0.43 0.00 -0.05 0.00 0.00 57.45 57.08 2pnk n PHE 147 Cb 0.14 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -3.42 6.66 0.41 4.37 -1.08 -0.74 -4.93 116.67 117.94 2pnk s ASP 148 Ca 0.10 0.52 0.10 0.00 -0.52 0.00 0.00 52.55 52.74 2pnk s ASP 148 Cb 0.16 -2.49 0.91 0.00 -1.46 0.00 0.00 42.92 40.05 2pnk s ASP 148 CO 0.68 -0.98 2.02 0.44 0.52 0.00 0.00 175.17 177.84 2pnk h ASP 149 N 8.71 0.46 0.43 -0.34 5.19 -1.87 0.20 116.42 129.19 2pnk h ASP 149 Ca -0.23 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.06 2pnk h ASP 149 Cb 1.07 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 2pnk h ASP 149 CO 1.03 0.31 -0.52 0.78 -3.12 0.00 0.00 179.24 177.71 2pnk h ASN 150 N 0.52 0.11 0.08 6.45 2.35 -1.95 -3.14 115.58 120.01 2pnk h ASN 150 Ca 0.22 -0.06 -0.28 0.00 -0.55 0.00 0.00 56.30 55.63 2pnk h ASN 150 Cb 0.21 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2pnk h ASN 150 CO -0.06 0.61 -1.51 -0.08 -1.65 0.00 0.00 177.43 174.75 2pnk h GLU 151 N 0.08 0.17 -0.81 0.81 4.81 -1.69 -3.40 114.58 114.55 2pnk h GLU 151 Ca -0.00 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.03 2pnk h GLU 151 Cb 0.95 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2pnk h GLU 151 CO 0.07 1.14 0.53 -0.09 -0.73 0.00 0.00 179.01 179.93 2pnk h ARG 152 N -0.43 0.77 -0.81 1.92 2.43 -0.66 -2.33 114.38 115.27 2pnk h ARG 152 Ca -0.35 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 2pnk h ARG 152 Cb 1.68 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.01 2pnk h ARG 152 CO -0.02 0.51 0.54 0.97 -1.51 0.00 0.00 179.97 180.46 2pnk h ILE 153 N 0.79 1.15 -0.70 1.20 6.09 -1.75 -1.44 117.51 122.85 2pnk h ILE 153 Ca 0.37 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 63.44 2pnk h ILE 153 Cb 0.38 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 37.67 2pnk h ILE 153 CO -0.14 0.19 0.19 0.28 -3.07 0.00 0.00 178.15 175.60 2pnk h SER 154 N 1.03 1.03 -0.59 2.19 0.02 -1.66 0.70 113.55 116.27 2pnk h SER 154 Ca 0.32 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2pnk h SER 154 Cb -0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2pnk h SER 154 CO -0.09 0.98 0.14 -0.50 -1.14 0.00 0.00 176.83 176.22 2pnk h TRP 155 N 1.05 1.00 0.00 3.45 4.06 -1.45 -1.49 115.95 122.57 2pnk h TRP 155 Ca 0.22 -0.12 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 2pnk h TRP 155 Cb 0.33 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 2pnk h TRP 155 CO 0.03 0.85 -0.53 -0.07 -3.56 0.00 0.00 178.44 175.16 2pnk h LEU 156 N 0.86 0.00 -0.14 -4.49 3.38 -0.90 -1.34 115.31 112.68 2pnk h LEU 156 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pnk h LEU 156 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2pnk h LEU 156 CO 0.00 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.45 2pnk n GLU 157 N -3.61 0.06 -0.33 1.13 1.02 0.20 -4.88 120.64 114.25 2pnk n GLU 157 Ca -0.00 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2pnk n GLU 157 Cb 0.60 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2pnk n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pnk n GLY 158 N 0.45 0.82 3.74 0.62 0.00 -0.50 -5.05 105.19 105.27 2pnk n GLY 158 Ca 0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.67 4.37 0.06 1.61 1.02 -0.57 -5.03 119.74 120.53 2pnk s LYS 159 Ca 0.00 2.13 0.03 0.00 0.02 0.00 0.00 55.97 58.15 2pnk s LYS 159 Cb 0.00 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2pnk s LYS 159 CO 0.00 -0.26 0.01 -0.65 -0.92 0.00 0.00 175.35 173.52 2pnk s GLN 160 N -0.49 2.67 0.74 1.68 -1.52 -1.26 -4.55 119.66 116.92 2pnk s GLN 160 Ca 0.56 -0.74 -0.13 0.00 -1.95 0.00 0.00 55.36 53.10 2pnk s GLN 160 Cb -0.38 -2.61 0.04 0.00 -0.22 0.00 0.00 33.01 29.84 2pnk s GLN 160 CO 0.42 0.57 1.12 -1.25 -0.25 0.00 0.00 175.29 175.90 2pnk s PRO 161 N -2.04 2.34 0.80 2.91 0.04 -1.26 -4.99 135.00 132.81 2pnk s PRO 161 Ca 0.24 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 2pnk s PRO 161 Cb -0.12 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.60 2pnk s PRO 161 CO 0.16 -1.60 1.10 0.16 0.04 0.00 0.00 177.00 176.86 2pnk s ASP 162 N -2.86 4.20 0.13 6.66 1.47 -1.26 -4.90 116.67 120.11 2pnk s ASP 162 Ca 0.65 1.85 0.17 0.00 1.18 0.00 0.00 52.55 56.41 2pnk s ASP 162 Cb -0.20 -2.51 0.74 0.00 -0.34 0.00 0.00 42.92 40.61 2pnk s ASP 162 CO 0.49 -2.24 1.52 -1.54 0.68 0.00 0.00 175.17 174.09 2pnk n SER 163 N -3.65 0.31 0.14 2.11 3.41 -1.26 -1.02 113.62 113.65 2pnk n SER 163 Ca 0.09 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 2pnk n SER 163 Cb 0.53 -0.65 0.43 0.00 -0.26 0.00 0.00 64.21 64.26 2pnk n SER 163 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2pnk h ARG 164 N 0.00 0.00 -5.70 4.33 3.08 -1.90 -3.43 114.38 110.76 2pnk h ARG 164 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 2pnk h ARG 164 Cb 0.24 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.08 2pnk h ARG 164 CO 0.00 0.00 -0.69 -0.06 -1.07 0.00 0.00 179.97 178.15 2pnk s PHE 165 N -3.23 2.96 0.13 3.04 0.40 -0.19 -0.63 117.98 120.47 2pnk s PHE 165 Ca 0.07 -0.19 0.10 0.00 -0.60 0.00 0.00 56.93 56.32 2pnk s PHE 165 Cb 0.10 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 2pnk s PHE 165 CO 0.53 0.12 -0.25 -1.01 0.70 0.00 0.00 175.22 175.31 2pnk s HIS 166 N -0.20 2.17 0.25 0.36 3.76 0.79 -4.69 115.29 117.73 2pnk s HIS 166 Ca 0.03 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.41 2pnk s HIS 166 Cb -0.13 -1.16 -0.08 0.00 1.11 0.00 0.00 32.58 32.32 2pnk s HIS 166 CO 0.03 0.33 0.63 0.00 -0.85 0.00 0.00 174.74 174.88 2pnk s ALA 167 N -1.21 3.47 -0.04 -1.40 0.00 -1.26 -4.37 121.76 116.95 2pnk s ALA 167 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 2pnk s ALA 167 Cb -0.10 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.45 2pnk s ALA 167 CO 0.06 0.42 0.07 0.00 0.00 0.00 0.00 175.76 176.31 2pnk s ALA 168 N -1.79 -0.04 -0.49 0.00 0.00 -1.26 -0.96 121.76 117.22 2pnk s ALA 168 Ca 0.48 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 2pnk s ALA 168 Cb -0.12 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2pnk s ALA 168 CO 0.19 -0.14 0.92 -1.17 0.00 0.00 0.00 175.76 175.56 2pnk s LEU 169 N 1.16 4.07 -0.10 0.00 2.96 -0.69 -0.77 118.68 125.31 2pnk s LEU 169 Ca -0.09 -0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.47 2pnk s LEU 169 Cb -0.12 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2pnk s LEU 169 CO -0.04 -1.10 0.88 -0.60 -1.32 0.00 0.00 176.35 174.17 2pnk s ARG 170 N 3.78 4.41 -0.02 1.98 3.52 0.91 -0.32 118.95 133.21 2pnk s ARG 170 Ca 0.34 1.17 0.03 0.00 -0.13 0.00 0.00 55.73 57.14 2pnk s ARG 170 Cb -0.11 -3.52 0.05 0.00 -1.56 0.00 0.00 34.95 29.81 2pnk s ARG 170 CO 0.23 -0.19 0.99 1.28 -0.81 0.00 0.00 175.30 176.81 2pnk n LEU 171 N 4.59 1.91 -0.21 -0.88 4.77 0.12 -4.44 117.00 122.86 2pnk n LEU 171 Ca 0.05 -2.05 0.02 0.00 -0.03 0.00 0.00 56.01 54.00 2pnk n LEU 171 Cb 0.50 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.64 2pnk n LEU 171 CO 0.50 0.50 0.91 0.44 -1.33 0.00 0.00 177.39 178.40 2pnk h ASP 172 N 0.00 -0.05 -0.10 -1.43 5.19 -1.94 -1.70 116.42 116.39 2pnk h ASP 172 Ca 0.00 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.48 2pnk h ASP 172 Cb 0.63 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 2pnk h ASP 172 CO 0.00 -0.03 -0.09 -0.65 -3.12 0.00 0.00 179.24 175.36 2pnk h PRO 173 N 0.23 0.39 -0.02 3.56 0.11 -1.95 0.19 132.00 134.52 2pnk h PRO 173 Ca 0.34 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 2pnk h PRO 173 Cb 0.54 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2pnk h PRO 173 CO -0.46 0.49 -0.00 1.25 -0.21 0.00 0.00 178.00 179.07 2pnk h LEU 174 N 0.37 0.03 0.17 2.35 5.85 -1.64 -1.90 115.31 120.55 2pnk h LEU 174 Ca 0.08 -0.33 -0.30 0.00 0.84 0.00 0.00 57.88 58.17 2pnk h LEU 174 Cb 0.39 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.42 2pnk h LEU 174 CO 0.02 0.35 -1.36 -0.07 -0.34 0.00 0.00 178.44 177.05 2pnk h LEU 175 N -0.29 0.56 0.00 2.25 3.38 -1.29 -3.26 115.31 116.67 2pnk h LEU 175 Ca 0.01 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.23 2pnk h LEU 175 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2pnk h LEU 175 CO 0.00 1.49 -2.02 0.59 0.09 0.00 0.00 178.44 178.59 2pnk n ASN 176 N -3.59 0.12 -2.42 -0.43 3.02 0.04 -3.66 115.26 108.35 2pnk n ASN 176 Ca -0.12 0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.35 2pnk n ASN 176 Cb 1.05 1.45 0.03 0.00 -0.61 0.00 0.00 39.78 41.71 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 -2.49 2.69 -0.37 3.52 1.02 -0.72 -4.93 120.64 119.37 2pnk n GLU 177 Ca -0.13 -3.86 0.03 0.00 -0.02 0.00 0.00 57.16 53.17 2pnk n GLU 177 Cb 0.77 -1.95 0.18 0.00 -0.02 0.00 0.00 31.44 30.42 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 2.42 1.20 -0.51 -0.32 3.20 -1.59 -0.80 116.97 120.58 2pnk h TYR 178 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2pnk h TYR 178 Cb 1.38 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2pnk h TYR 178 CO 0.68 0.62 0.26 1.49 -1.64 0.00 0.00 178.16 179.57 2pnk h GLU 179 N 1.18 0.70 0.07 1.82 4.57 -1.90 0.15 114.58 121.17 2pnk h GLU 179 Ca 0.44 -0.08 -0.25 0.00 -1.18 0.00 0.00 59.36 58.29 2pnk h GLU 179 Cb 0.18 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2pnk h GLU 179 CO -0.18 0.53 -1.10 1.96 -1.18 0.00 0.00 179.01 179.05 2pnk h GLN 180 N 0.71 0.30 0.00 1.92 4.20 -1.75 -3.37 115.11 117.12 2pnk h GLN 180 Ca 0.18 -0.42 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 2pnk h GLN 180 Cb 0.05 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2pnk h GLN 180 CO -0.03 1.15 -0.69 1.15 -0.67 0.00 0.00 178.83 179.74 2pnk h THR 181 N 0.13 1.26 -0.85 -0.54 2.02 -0.13 -3.28 112.91 111.52 2pnk h THR 181 Ca -0.10 -2.59 0.18 0.00 0.77 0.00 0.00 66.41 64.67 2pnk h THR 181 Cb 1.79 2.49 -0.16 0.00 -1.74 0.00 0.00 68.15 70.53 2pnk h THR 181 CO 0.18 0.68 -0.18 0.29 0.37 0.00 0.00 175.52 176.86 2pnk n LYS 182 N -3.38 -0.08 0.05 6.66 5.02 0.41 -1.13 118.16 125.72 2pnk n LYS 182 Ca 0.01 1.32 -0.04 0.00 -2.02 0.00 0.00 58.31 57.58 2pnk n LYS 182 Cb 0.77 -1.99 0.19 0.00 -0.02 0.00 0.00 35.03 33.98 2pnk n LYS 182 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 2pnk h HIS 183 N 0.00 0.43 -0.15 2.13 2.07 -1.81 -0.76 115.15 117.06 2pnk h HIS 183 Ca 0.42 -0.11 -0.16 0.00 -2.85 0.00 0.00 60.37 57.68 2pnk h HIS 183 Cb 0.68 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 30.57 2pnk h HIS 183 CO -0.62 0.70 -0.51 0.00 -3.07 0.00 0.00 177.93 174.42 2pnk h ARG 184 N 0.31 0.61 -0.69 5.12 3.08 -1.32 -1.91 114.38 119.58 2pnk h ARG 184 Ca 0.03 -0.46 0.13 0.00 0.07 0.00 0.00 59.98 59.75 2pnk h ARG 184 Cb 0.80 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.84 2pnk h ARG 184 CO 0.06 1.08 0.22 -0.07 -1.07 0.00 0.00 179.97 180.20 2pnk h LEU 185 N 0.27 0.16 -0.36 3.04 3.38 -0.91 -0.13 115.31 120.75 2pnk h LEU 185 Ca -0.02 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2pnk h LEU 185 Cb 1.14 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2pnk h LEU 185 CO 0.11 0.06 0.08 0.03 0.09 0.00 0.00 178.44 178.81 2pnk h ARG 186 N 0.36 0.58 -0.85 1.13 3.08 -1.04 0.16 114.38 117.81 2pnk h ARG 186 Ca 0.37 -0.14 0.14 0.00 0.07 0.00 0.00 59.98 60.41 2pnk h ARG 186 Cb 0.56 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2pnk h ARG 186 CO -0.40 0.63 0.55 -0.44 -1.07 0.00 0.00 179.97 179.24 2pnk h ASP 187 N 0.43 0.60 -0.05 7.04 3.32 -0.82 -0.45 116.42 126.49 2pnk h ASP 187 Ca 0.11 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2pnk h ASP 187 Cb 0.32 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2pnk h ASP 187 CO 0.00 0.31 0.00 0.79 -1.72 0.00 0.00 179.24 178.63 2pnk n TRP 188 N -4.53 0.07 -0.36 4.55 8.01 -0.11 -4.90 117.44 120.16 2pnk n TRP 188 Ca 0.16 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 56.32 2pnk n TRP 188 Cb 0.46 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.76 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 0.93 0.82 3.43 6.99 0.00 -0.18 -5.03 105.19 112.14 2pnk n GLY 189 Ca 0.16 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.03 -1.29 1.61 2.02 0.53 -4.96 117.35 116.29 2pnk s TYR 190 Ca 0.00 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 55.99 2pnk s TYR 190 Cb 0.00 -3.65 0.16 0.00 -0.40 0.00 0.00 41.96 38.07 2pnk s TYR 190 CO 0.00 -1.10 1.99 1.63 -1.57 0.00 0.00 175.55 176.51 2pnk n LYS 191 N 6.22 3.84 -2.09 -0.62 4.76 -1.26 -2.98 118.16 126.03 2pnk n LYS 191 Ca -0.07 -3.51 -0.34 0.00 -2.87 0.00 0.00 58.31 51.52 2pnk n LYS 191 Cb 0.45 -2.86 0.02 0.00 -1.84 0.00 0.00 35.03 30.80 2pnk n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2pnk s VAL 192 N 0.04 3.22 0.36 -0.18 -7.23 -1.26 -4.71 120.40 110.63 2pnk s VAL 192 Ca 0.43 0.69 0.05 0.00 -1.81 0.00 0.00 61.98 61.33 2pnk s VAL 192 Cb 0.12 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 2pnk s VAL 192 CO -0.02 -0.23 0.52 0.20 -0.31 0.00 0.00 175.10 175.26 2pnk s ASN 193 N -2.07 5.94 0.19 4.85 0.01 -1.26 -4.97 114.94 117.62 2pnk s ASN 193 Ca 0.71 -0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 52.66 2pnk s ASN 193 Cb -0.22 -1.30 0.13 0.00 0.41 0.00 0.00 41.25 40.27 2pnk s ASN 193 CO 0.32 -0.50 1.83 0.44 -1.51 0.00 0.00 177.10 177.68 2pnk h ASP 194 N 0.77 0.58 -3.57 -1.22 3.32 -2.03 -3.43 116.42 110.85 2pnk h ASP 194 Ca -0.46 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.09 2pnk h ASP 194 Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2pnk h ASP 194 CO 0.54 0.41 0.03 -1.61 -1.72 0.00 0.00 179.24 176.89 2pnk s GLU 195 N -6.13 3.79 -0.97 3.56 0.41 -1.26 -5.01 118.70 113.09 2pnk s GLU 195 Ca -0.13 0.38 -0.21 0.00 -0.41 0.00 0.00 54.97 54.61 2pnk s GLU 195 Cb 0.14 -2.48 0.09 0.00 -1.78 0.00 0.00 34.13 30.10 2pnk s GLU 195 CO 0.75 0.09 1.28 -0.46 -0.49 0.00 0.00 175.26 176.43 2pnk s TRP 196 N -2.18 2.84 0.02 1.61 -0.11 -1.26 -4.66 118.94 115.19 2pnk s TRP 196 Ca 0.50 -1.13 0.00 0.00 1.22 0.00 0.00 56.10 56.69 2pnk s TRP 196 Cb -0.10 -4.48 -0.00 0.00 -1.50 0.00 0.00 33.47 27.38 2pnk s TRP 196 CO 0.27 -1.70 0.01 0.27 -4.62 0.00 0.00 176.95 171.18 2pnk n ASN 197 N 7.67 0.95 -0.23 5.86 0.23 -1.26 -4.98 115.26 123.49 2pnk n ASN 197 Ca 0.28 -1.10 0.06 0.00 -0.53 0.00 0.00 54.58 53.29 2pnk n ASN 197 Cb 0.50 0.05 0.31 0.00 -2.08 0.00 0.00 39.78 38.56 2pnk n ASN 197 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2pnk h GLU 198 N 0.00 0.82 -0.19 -3.83 3.07 -2.00 -1.69 114.58 110.77 2pnk h GLU 198 Ca -0.01 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 2pnk h GLU 198 Cb 0.06 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2pnk h GLU 198 CO 0.02 0.54 -0.51 0.78 -1.40 0.00 0.00 179.01 178.45 2pnk h GLY 199 N 0.85 0.57 0.66 -3.84 0.00 -1.95 -0.90 103.07 98.46 2pnk h GLY 199 Ca 0.35 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2pnk h GLY 199 CO -0.13 0.57 -0.02 1.76 0.00 0.00 0.00 176.54 178.72 2pnk h SER 200 N 0.41 0.12 -0.35 0.19 0.02 -1.68 -1.65 113.55 110.60 2pnk h SER 200 Ca 0.02 -0.40 0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2pnk h SER 200 Cb 1.03 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.47 2pnk h SER 200 CO 0.09 0.49 -0.15 0.40 -1.14 0.00 0.00 176.83 176.53 2pnk h ILE 201 N -0.25 0.53 -0.41 3.27 2.04 -1.29 -1.62 117.51 119.78 2pnk h ILE 201 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2pnk h ILE 201 Cb 0.44 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2pnk h ILE 201 CO 0.01 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 177.76 2pnk h GLN 202 N -0.08 0.42 -0.13 2.37 4.15 -1.15 -1.16 115.11 119.53 2pnk h GLN 202 Ca 0.18 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.38 2pnk h GLN 202 Cb 0.35 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2pnk h GLN 202 CO -0.41 0.28 -0.69 0.93 -1.93 0.00 0.00 178.83 177.02 2pnk h GLU 203 N 0.44 0.54 -0.33 1.69 4.39 -1.11 -1.22 114.58 118.97 2pnk h GLU 203 Ca 0.17 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 2pnk h GLU 203 Cb 0.06 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2pnk h GLU 203 CO -0.11 1.04 0.02 0.28 -1.16 0.00 0.00 179.01 179.08 2pnk h VAL 204 N 0.39 1.25 -0.82 3.13 2.07 -1.23 -1.54 116.25 119.49 2pnk h VAL 204 Ca -0.02 -0.91 0.10 0.00 0.82 0.00 0.00 66.70 66.69 2pnk h VAL 204 Cb 1.27 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 2pnk h VAL 204 CO 0.13 0.30 0.53 0.11 0.02 0.00 0.00 177.57 178.66 2pnk h LYS 205 N 0.38 0.73 -0.05 1.57 1.57 -1.07 -1.60 116.57 118.09 2pnk h LYS 205 Ca 0.10 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2pnk h LYS 205 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2pnk h LYS 205 CO 0.01 0.48 -0.58 -0.09 -0.57 0.00 0.00 179.45 178.71 2pnk h ARG 206 N 0.75 0.16 0.16 3.15 2.43 -0.80 -0.17 114.38 120.06 2pnk h ARG 206 Ca 0.38 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2pnk h ARG 206 Cb 0.46 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2pnk h ARG 206 CO -0.15 0.69 -0.08 0.35 -1.51 0.00 0.00 179.97 179.27 2pnk h PHE 207 N 0.12 -0.20 -0.61 2.20 3.57 -0.66 -0.61 116.94 120.75 2pnk h PHE 207 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2pnk h PHE 207 Cb 1.05 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.78 2pnk h PHE 207 CO 0.01 0.04 0.22 -0.07 -2.23 0.00 0.00 178.31 176.28 2pnk h LEU 208 N -0.43 0.20 -0.62 0.59 3.38 -1.11 -2.31 115.31 115.01 2pnk h LEU 208 Ca -0.02 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2pnk h LEU 208 Cb 0.34 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2pnk h LEU 208 CO 0.04 0.12 -0.62 0.74 0.09 0.00 0.00 178.44 178.80 2pnk h THR 209 N 0.39 1.39 -0.50 0.22 2.02 -0.97 -0.14 112.91 115.31 2pnk h THR 209 Ca 0.31 -2.02 -0.11 0.00 0.77 0.00 0.00 66.41 65.36 2pnk h THR 209 Cb 0.40 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2pnk h THR 209 CO -0.32 0.60 -0.13 0.44 0.37 0.00 0.00 175.52 176.47 2pnk h ASP 210 N 0.19 0.98 0.32 4.18 3.32 -0.93 -1.42 116.42 123.06 2pnk h ASP 210 Ca -0.01 -0.36 -0.18 0.00 0.02 0.00 0.00 57.03 56.50 2pnk h ASP 210 Cb 1.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2pnk h ASP 210 CO 0.10 1.12 -0.74 -0.50 -1.72 0.00 0.00 179.24 177.50 2pnk h TRP 211 N 0.83 0.47 -0.42 4.55 4.06 -1.17 -2.15 115.95 122.12 2pnk h TRP 211 Ca 0.13 -0.21 0.03 0.00 2.06 0.00 0.00 58.89 60.89 2pnk h TRP 211 Cb 0.69 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.75 2pnk h TRP 211 CO 0.05 0.96 0.23 0.82 -3.56 0.00 0.00 178.44 176.94 2pnk h ILE 212 N 0.23 1.00 -0.41 1.49 2.04 -0.94 -2.83 117.51 118.09 2pnk h ILE 212 Ca -0.03 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2pnk h ILE 212 Cb 1.31 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2pnk h ILE 212 CO 0.12 0.08 -0.14 -0.33 0.00 0.00 0.00 178.15 177.89 2pnk h GLU 213 N 0.46 0.76 0.00 2.37 5.08 -1.19 -0.22 114.58 121.83 2pnk h GLU 213 Ca 0.18 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2pnk h GLU 213 Cb 0.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pnk h GLU 213 CO -0.11 0.86 0.00 -2.13 -1.00 0.00 0.00 179.01 176.63 2pnk n ARG 214 N -4.15 0.70 0.00 2.33 3.00 -0.82 -5.04 116.66 112.68 2pnk n ARG 214 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2pnk n ARG 214 Cb 0.38 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.76 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 -0.58 0.00 -4.78 6.15 2.03 -0.09 -5.09 116.55 114.17 2pnk n ASP 216 Ca 0.03 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.98 2pnk n ASP 216 Cb 0.01 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 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 3.98 0.32 -0.67 0.04 -1.26 -4.57 135.00 132.84 2pnk s PRO 217 Ca 0.00 1.50 0.17 0.00 0.04 0.00 0.00 61.00 62.72 2pnk s PRO 217 Cb 0.00 -2.38 0.13 0.00 0.04 0.00 0.00 34.50 32.29 2pnk s PRO 217 CO 0.00 -0.30 1.48 -0.39 0.04 0.00 0.00 177.00 177.83 2pnk h VAL 218 N 1.94 0.62 0.00 -0.36 -1.51 -1.43 -3.48 116.25 112.03 2pnk h VAL 218 Ca -0.49 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 2pnk h VAL 218 Cb 1.22 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.68 2pnk h VAL 218 CO 0.61 0.36 0.00 0.00 -1.23 0.00 0.00 177.57 177.30 2pnk n TYR 219 N -3.18 0.00 -3.65 5.19 0.18 -1.26 -4.33 117.16 110.11 2pnk n TYR 219 Ca 0.02 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.79 2pnk n TYR 219 Cb 0.68 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.61 2pnk n TYR 219 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnk s ALA 221 N -1.04 -2.15 -0.09 -3.48 0.00 0.57 -1.70 121.76 113.85 2pnk s ALA 221 Ca 0.00 1.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.76 2pnk s ALA 221 Cb 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.86 2pnk s ALA 221 CO 0.00 -0.31 0.31 0.54 0.00 0.00 0.00 175.76 176.30 2pnk s VAL 222 N -1.26 0.01 -0.06 0.00 0.11 -0.34 -0.70 120.40 118.16 2pnk s VAL 222 Ca 0.10 -0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 2pnk s VAL 222 Cb -0.01 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 2pnk s VAL 222 CO -0.07 -0.07 0.34 -0.44 -3.33 0.00 0.00 175.10 171.53 2pnk s SER 223 N -0.20 6.65 0.08 3.54 0.01 -1.26 -4.76 113.70 117.76 2pnk s SER 223 Ca -0.03 0.77 0.05 0.00 1.31 0.00 0.00 55.95 58.05 2pnk s SER 223 Cb -0.03 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2pnk s SER 223 CO 0.01 0.28 -0.15 -0.76 0.41 0.00 0.00 173.24 173.04 2pnk s LEU 224 N -0.68 2.28 0.72 2.44 1.43 -1.26 -4.97 118.68 118.64 2pnk s LEU 224 Ca 0.21 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2pnk s LEU 224 Cb -0.15 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.54 2pnk s LEU 224 CO 0.10 -0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.53 2pnk s PRO 225 N -1.80 2.73 0.59 1.29 0.04 -1.25 -0.90 135.00 135.70 2pnk s PRO 225 Ca -0.01 0.62 0.29 0.00 0.04 0.00 0.00 61.00 61.93 2pnk s PRO 225 Cb -0.10 -1.99 1.62 0.00 0.04 0.00 0.00 34.50 34.06 2pnk s PRO 225 CO 0.02 -1.16 2.06 -1.35 0.04 0.00 0.00 177.00 176.62 2pnk h PRO 226 N -0.75 0.00 -0.34 0.56 0.11 -1.78 -1.01 132.00 128.78 2pnk h PRO 226 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pnk h PRO 226 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2pnk h PRO 226 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 2pnk n THR 227 N -3.80 0.46 -1.66 -1.15 -2.24 -1.26 -3.75 114.28 100.88 2pnk n THR 227 Ca 0.03 -0.47 -0.49 0.00 -2.27 0.00 0.00 64.05 60.85 2pnk n THR 227 Cb 0.39 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.54 2.15 -4.18 4.78 7.35 -0.38 -4.98 117.46 122.73 2pnk n PHE 228 Ca 0.13 0.27 -0.17 0.00 -0.76 0.00 0.00 57.45 56.92 2pnk n PHE 228 Cb 0.31 -2.54 -0.12 0.00 0.35 0.00 0.00 39.48 37.49 2pnk n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2pnk s SER 229 N 1.97 1.66 -0.25 -2.13 0.01 -1.26 -4.68 113.70 109.02 2pnk s SER 229 Ca 0.85 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 2pnk s SER 229 Cb -0.76 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 65.50 2pnk s SER 229 CO 0.46 -0.13 0.61 0.12 0.41 0.00 0.00 173.24 174.71 2pnk s PHE 230 N -1.65 -0.93 0.76 2.43 2.19 -1.26 -4.42 117.98 115.10 2pnk s PHE 230 Ca 0.01 1.89 -0.13 0.00 0.33 0.00 0.00 56.93 59.03 2pnk s PHE 230 Cb -0.08 0.53 0.05 0.00 -1.31 0.00 0.00 43.02 42.21 2pnk s PHE 230 CO 0.02 -0.47 1.15 -2.14 1.83 0.00 0.00 175.22 175.61 2pnk s PRO 231 N 1.55 2.08 -0.19 10.12 0.02 -1.26 -4.26 135.00 143.07 2pnk s PRO 231 Ca -0.10 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 62.30 2pnk s PRO 231 Cb -0.06 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.66 2pnk s PRO 231 CO -0.18 -1.83 0.49 -2.00 -0.33 0.00 0.00 177.00 173.15 2pnk s GLU 232 N -4.27 0.55 -1.22 5.54 2.12 -1.26 -5.06 118.70 115.09 2pnk s GLU 232 Ca 0.69 0.72 -0.12 0.00 0.36 0.00 0.00 54.97 56.62 2pnk s GLU 232 Cb -0.24 0.23 0.18 0.00 0.26 0.00 0.00 34.13 34.56 2pnk s GLU 232 CO 0.49 -0.08 1.54 0.39 -0.54 0.00 0.00 175.26 177.05 2pnk n GLU 233 N 3.08 3.46 -4.16 4.30 -0.58 -1.26 -4.03 120.64 121.45 2pnk n GLU 233 Ca -0.15 -3.80 -0.11 0.00 -0.42 0.00 0.00 57.16 52.68 2pnk n GLU 233 Cb 0.57 -2.99 -0.09 0.00 -0.57 0.00 0.00 31.44 28.36 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 2.18 0.15 0.19 1.62 1.04 -1.26 -5.01 113.70 112.62 2pnk s SER 234 Ca 0.41 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 2pnk s SER 234 Cb 0.00 0.39 0.13 0.00 0.10 0.00 0.00 66.02 66.64 2pnk s SER 234 CO 0.00 -0.85 1.85 0.78 0.98 0.00 0.00 173.24 176.01 2pnk h ASN 235 N 2.63 0.71 0.01 7.02 2.35 -1.91 -1.69 115.58 124.71 2pnk h ASN 235 Ca -0.35 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2pnk h ASN 235 Cb 1.24 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 2pnk h ASN 235 CO 0.52 0.51 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.71 2pnk h ARG 236 N 0.84 -0.03 -0.50 0.81 2.43 -1.91 -0.88 114.38 115.14 2pnk h ARG 236 Ca 0.25 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2pnk h ARG 236 Cb -0.05 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2pnk h ARG 236 CO -0.07 -0.02 0.25 0.78 -1.51 0.00 0.00 179.97 179.40 2pnk h GLY 237 N -0.03 0.70 1.42 2.80 0.00 -1.69 -1.36 103.07 104.91 2pnk h GLY 237 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 2pnk h GLY 237 CO -0.00 0.11 -0.41 3.21 0.00 0.00 0.00 176.54 179.44 2pnk h ARG 238 N 0.49 0.63 -0.35 4.80 3.08 -1.04 -1.79 114.38 120.20 2pnk h ARG 238 Ca 0.22 -0.33 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 2pnk h ARG 238 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2pnk h ARG 238 CO -0.16 0.93 -0.43 0.82 -1.07 0.00 0.00 179.97 180.06 2pnk h ILE 239 N 0.52 1.27 -0.10 2.04 2.04 -0.93 0.10 117.51 122.44 2pnk h ILE 239 Ca 0.04 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 2pnk h ILE 239 Cb 0.94 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2pnk h ILE 239 CO 0.08 0.53 0.05 0.40 0.00 0.00 0.00 178.15 179.22 2pnk h ILE 240 N 0.72 1.11 -0.11 -0.67 2.04 -1.25 -0.06 117.51 119.29 2pnk h ILE 240 Ca 0.04 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2pnk h ILE 240 Cb 1.04 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2pnk h ILE 240 CO 0.10 0.10 0.03 -0.09 0.00 0.00 0.00 178.15 178.29 2pnk h ARG 241 N 0.05 0.17 0.00 2.37 2.43 -1.18 -1.91 114.38 116.30 2pnk h ARG 241 Ca 0.04 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2pnk h ARG 241 Cb 0.11 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2pnk h ARG 241 CO -0.00 0.34 -1.31 -0.25 -1.51 0.00 0.00 179.97 177.23 2pnk n ASP 242 N -4.87 0.80 0.02 -3.80 8.00 0.34 -4.50 116.55 112.53 2pnk n ASP 242 Ca -0.06 0.33 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 2pnk n ASP 242 Cb 0.15 0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2pnk n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnk h LEU 244 N -0.03 -0.04 -0.25 0.00 6.46 -1.07 -2.50 115.31 117.87 2pnk h LEU 244 Ca -0.01 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.27 2pnk h LEU 244 Cb 0.56 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2pnk h LEU 244 CO -0.01 0.44 0.04 -0.07 -0.62 0.00 0.00 178.44 178.22 2pnk h LEU 245 N -0.54 0.39 -0.56 2.25 3.38 -1.58 0.30 115.31 118.95 2pnk h LEU 245 Ca -0.01 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.74 2pnk h LEU 245 Cb 0.49 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2pnk h LEU 245 CO 0.01 0.55 0.33 -0.65 0.09 0.00 0.00 178.44 178.77 2pnk h PRO 246 N 0.22 0.63 -0.35 1.13 0.11 -1.79 -0.65 132.00 131.30 2pnk h PRO 246 Ca 0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2pnk h PRO 246 Cb 0.32 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2pnk h PRO 246 CO 0.00 0.42 0.18 0.28 -0.21 0.00 0.00 178.00 178.67 2pnk h VAL 247 N 0.65 1.16 -0.91 3.15 2.07 -1.28 -1.64 116.25 119.44 2pnk h VAL 247 Ca 0.23 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.36 2pnk h VAL 247 Cb 0.04 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 2pnk h VAL 247 CO -0.11 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.23 2pnk h ALA 248 N 1.03 1.24 -0.16 1.67 0.00 -0.72 -1.29 119.26 121.03 2pnk h ALA 248 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2pnk h ALA 248 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2pnk h ALA 248 CO -0.02 0.38 -0.04 1.49 0.00 0.00 0.00 179.25 181.06 2pnk h GLU 249 N 1.08 0.31 -0.65 0.00 4.81 -0.95 0.49 114.58 119.67 2pnk h GLU 249 Ca 0.38 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2pnk h GLU 249 Cb 0.11 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 2pnk h GLU 249 CO -0.15 0.58 0.38 -0.22 -0.73 0.00 0.00 179.01 178.86 2pnk h LYS 250 N 0.02 0.69 -0.01 1.92 3.64 -1.05 -2.00 116.57 119.78 2pnk h LYS 250 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pnk h LYS 250 Cb 0.47 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2pnk h LYS 250 CO 0.02 0.46 -0.09 0.72 -2.27 0.00 0.00 179.45 178.28 2pnk n HIS 251 N -4.76 0.00 -3.72 1.91 8.25 -0.51 -4.95 115.22 111.44 2pnk n HIS 251 Ca 0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.30 2pnk n HIS 251 Cb 0.13 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.23 2pnk n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2pnk n ASN 252 N -0.25 -2.77 -4.45 0.41 5.15 -0.00 -5.00 115.26 108.35 2pnk n ASN 252 Ca 0.17 -0.76 -0.33 0.00 -0.60 0.00 0.00 54.58 53.05 2pnk n ASN 252 Cb 0.33 -4.22 -0.13 0.00 -0.53 0.00 0.00 39.78 35.23 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 -3.50 3.55 0.66 -1.44 1.01 -0.24 -4.82 121.20 116.41 2pnk s ILE 253 Ca 0.24 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 2pnk s ILE 253 Cb -0.12 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2pnk s ILE 253 CO 0.80 0.51 1.18 -2.84 0.00 0.00 0.00 174.94 174.58 2pnk s PRO 254 N 0.33 2.62 -0.34 2.79 0.02 -1.26 -4.61 135.00 134.55 2pnk s PRO 254 Ca -0.07 1.67 -0.11 0.00 0.02 0.00 0.00 61.00 62.51 2pnk s PRO 254 Cb -0.15 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2pnk s PRO 254 CO 0.04 -1.44 0.19 0.12 -0.33 0.00 0.00 177.00 175.58 2pnk s PHE 255 N -1.96 3.21 0.48 6.54 5.36 -0.50 -4.55 117.98 126.56 2pnk s PHE 255 Ca 0.73 -0.61 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 2pnk s PHE 255 Cb -0.27 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 2pnk s PHE 255 CO 0.40 -0.49 0.72 0.00 -1.46 0.00 0.00 175.22 174.38 2pnk s ALA 256 N 1.62 3.69 0.00 11.12 0.00 -1.26 -1.10 121.76 135.83 2pnk s ALA 256 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2pnk s ALA 256 Cb -0.18 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2pnk s ALA 256 CO 0.07 -0.49 0.00 -0.89 0.00 0.00 0.00 175.76 174.46 2pnk n ILE 259 N -2.19 0.00 0.00 0.00 5.41 -0.55 -1.20 119.36 120.83 2pnk n ILE 259 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2pnk n ILE 259 Cb 0.58 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 2pnk n ILE 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2pnk n GLY 260 N -0.01 1.14 3.73 7.39 0.00 -0.08 -1.12 105.19 116.24 2pnk n GLY 260 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 4.68 -0.35 1.61 0.11 -1.01 -1.81 120.40 121.62 2pnk s VAL 261 Ca 0.00 1.84 -0.07 0.00 -2.93 0.00 0.00 61.98 60.82 2pnk s VAL 261 Cb 0.00 -4.22 0.04 0.00 -1.53 0.00 0.00 36.38 30.68 2pnk s VAL 261 CO 0.00 0.32 0.13 -0.54 -3.33 0.00 0.00 175.10 171.67 2pnk s LYS 262 N 0.14 2.62 0.23 1.54 1.02 0.15 -3.92 119.74 121.52 2pnk s LYS 262 Ca 0.43 -1.21 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 2pnk s LYS 262 Cb -0.21 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.50 2pnk s LYS 262 CO 0.26 -0.70 1.19 0.15 -0.92 0.00 0.00 175.35 175.32 2pnk s LYS 263 N 1.41 4.51 -1.22 1.68 -0.14 -1.26 -0.77 119.74 123.95 2pnk s LYS 263 Ca -0.01 1.91 -0.16 0.00 -1.36 0.00 0.00 55.97 56.35 2pnk s LYS 263 Cb -0.20 -3.20 -0.00 0.00 -1.68 0.00 0.00 37.83 32.75 2pnk s LYS 263 CO 0.03 -0.02 0.68 0.54 -0.76 0.00 0.00 175.35 175.82 2pnk n ARG 264 N 1.91 -1.77 0.22 1.68 5.12 -1.25 -4.89 116.66 117.67 2pnk n ARG 264 Ca 0.02 0.41 0.11 0.00 -1.93 0.00 0.00 57.85 56.46 2pnk n ARG 264 Cb 0.44 -4.12 0.41 0.00 -1.16 0.00 0.00 32.46 28.04 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 -1.95 0.40 -2.79 1.55 -1.51 -1.26 -3.35 116.25 107.34 2pnk h VAL 265 Ca -0.66 -1.11 -0.61 0.00 -1.23 0.00 0.00 66.70 63.09 2pnk h VAL 265 Cb 1.37 1.83 -0.40 0.00 -2.13 0.00 0.00 31.29 31.95 2pnk h VAL 265 CO 0.52 0.18 -0.76 -2.28 -1.23 0.00 0.00 177.57 174.00 2pnk s HIS 266 N -3.51 2.28 0.43 5.19 5.65 -0.74 -5.02 115.29 119.57 2pnk s HIS 266 Ca 0.02 -2.75 0.10 0.00 0.25 0.00 0.00 55.06 52.68 2pnk s HIS 266 Cb 0.09 -1.85 0.94 0.00 -1.18 0.00 0.00 32.58 30.58 2pnk s HIS 266 CO 0.63 -0.71 2.05 -1.35 -0.65 0.00 0.00 174.74 174.72 2pnk h PRO 267 N 5.80 0.36 -0.01 2.88 0.11 -1.84 -1.25 132.00 138.05 2pnk h PRO 267 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2pnk h PRO 267 Cb 0.85 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2pnk h PRO 267 CO 0.53 0.28 0.02 0.00 -0.21 0.00 0.00 178.00 178.62 2pnk h ALA 268 N 1.78 1.37 -0.00 -0.75 0.00 -1.95 -0.76 119.26 118.94 2pnk h ALA 268 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pnk h ALA 268 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pnk h ALA 268 CO -0.01 -0.02 -0.08 1.28 0.00 0.00 0.00 179.25 180.41 2pnk n LEU 269 N -3.58 0.36 0.00 0.00 4.77 -0.47 -4.98 117.00 113.10 2pnk n LEU 269 Ca -0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2pnk n LEU 269 Cb 0.10 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2pnk n LEU 269 CO 0.25 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2pnk n GLY 270 N 1.27 3.38 0.48 -0.72 0.00 -0.29 -1.53 105.19 107.77 2pnk n GLY 270 Ca 0.15 -0.15 0.30 0.00 0.00 0.00 0.00 46.02 46.31 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 0.67 0.00 -0.04 1.61 3.32 -1.94 0.14 116.42 120.18 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 -2.72 2.51 1.05 3.45 0.00 -0.58 -4.17 120.51 120.04 2pnk n ALA 272 Ca 0.20 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.66 2pnk n ALA 272 Cb 1.01 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 0.60 -0.33 3.87 0.00 0.00 0.48 -4.91 105.19 104.92 2pnk n GLY 273 Ca 0.03 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.60 6.65 0.16 1.61 1.01 -1.26 -1.00 116.67 121.23 2pnk s ASP 274 Ca 0.17 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.44 2pnk s ASP 274 Cb 0.18 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.85 2pnk s ASP 274 CO 0.62 -0.12 0.03 0.33 0.21 0.00 0.00 175.17 176.24 2pnk n PHE 275 N -0.26 0.20 -4.09 4.23 7.35 0.05 -4.90 117.46 120.04 2pnk n PHE 275 Ca 0.01 -0.92 -0.12 0.00 -0.76 0.00 0.00 57.45 55.66 2pnk n PHE 275 Cb 0.53 -0.05 -0.11 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.91 0.56 0.08 -2.13 0.11 -1.26 -0.68 120.40 115.17 2pnk s VAL 276 Ca 0.04 -1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 57.65 2pnk s VAL 276 Cb 0.00 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2pnk s VAL 276 CO 0.03 -0.51 0.37 -0.83 -3.33 0.00 0.00 175.10 170.84 2pnk s GLY 277 N -1.94 -0.22 0.17 6.54 0.00 -0.75 -4.85 107.32 106.27 2pnk s GLY 277 Ca -0.05 0.04 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 2pnk s GLY 277 CO -0.01 -0.21 1.16 1.25 0.00 0.00 0.00 173.10 175.29 2pnk s LYS 278 N -3.17 4.52 0.25 2.90 2.20 -1.26 -4.51 119.74 120.67 2pnk s LYS 278 Ca -0.01 1.81 0.02 0.00 -0.36 0.00 0.00 55.97 57.43 2pnk s LYS 278 Cb 0.01 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2pnk s LYS 278 CO -0.07 -0.04 0.41 0.00 -0.36 0.00 0.00 175.35 175.28 2pnk s ALA 279 N -0.02 3.85 1.00 3.13 0.00 -1.26 -4.79 121.76 123.67 2pnk s ALA 279 Ca 0.52 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2pnk s ALA 279 Cb -0.31 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2pnk s ALA 279 CO 0.35 0.26 0.00 0.45 0.00 0.00 0.00 175.76 176.82 2pnk n SER 280 N -1.22 0.00 0.00 0.00 2.88 -1.25 -4.98 113.62 109.06 2pnk n SER 280 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2pnk n SER 280 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2pnk n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pnk n ASP 282 N 0.00 0.00 -0.10 -3.46 8.00 -1.26 -4.71 116.55 115.01 2pnk n ASP 282 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2pnk n ASP 282 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.80 0.89 0.44 0.00 -1.84 -0.95 103.07 102.42 2pnk h GLY 283 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 2pnk h GLY 283 CO 0.00 0.72 -0.04 -2.08 0.00 0.00 0.00 176.54 175.14 2pnk h VAL 284 N 0.50 1.27 -0.26 4.60 2.07 -1.87 -1.18 116.25 121.38 2pnk h VAL 284 Ca 0.06 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.58 2pnk h VAL 284 Cb 0.83 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2pnk h VAL 284 CO 0.07 0.34 -0.07 -0.08 0.02 0.00 0.00 177.57 177.85 2pnk h GLU 285 N 0.36 -0.00 -0.45 1.57 4.81 -1.93 -1.52 114.58 117.41 2pnk h GLU 285 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2pnk h GLU 285 Cb 0.51 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2pnk h GLU 285 CO 0.02 -0.00 0.27 1.25 -0.73 0.00 0.00 179.01 179.82 2pnk h HIS 286 N -0.00 0.58 -0.30 0.92 2.76 -1.05 -1.42 115.15 116.64 2pnk h HIS 286 Ca 0.13 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2pnk h HIS 286 Cb 0.20 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 2pnk h HIS 286 CO -0.26 0.41 0.14 -0.07 -1.30 0.00 0.00 177.93 176.84 2pnk h LEU 287 N 0.59 0.20 -0.65 0.26 3.38 -0.93 -0.27 115.31 117.90 2pnk h LEU 287 Ca 0.16 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2pnk h LEU 287 Cb -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2pnk h LEU 287 CO -0.03 0.15 0.29 -0.07 0.09 0.00 0.00 178.44 178.88 2pnk h LEU 288 N 0.30 0.86 -0.14 1.67 3.38 -1.04 -1.50 115.31 118.83 2pnk h LEU 288 Ca 0.12 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2pnk h LEU 288 Cb 0.05 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.58 2pnk h LEU 288 CO -0.09 0.76 -0.50 -0.09 0.09 0.00 0.00 178.44 178.61 2pnk h ARG 289 N 0.90 0.59 0.00 1.13 2.43 -1.08 -3.33 114.38 115.02 2pnk h ARG 289 Ca 0.22 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2pnk h ARG 289 Cb 0.15 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2pnk h ARG 289 CO -0.02 1.07 -0.42 0.39 -1.51 0.00 0.00 179.97 179.48 2pnk n GLU 290 N -4.20 0.20 -3.18 0.20 -0.58 -0.13 -4.10 120.64 108.85 2pnk n GLU 290 Ca -0.07 0.09 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 2pnk n GLU 290 Cb 0.60 -1.65 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 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 -1.96 2.77 0.28 -0.32 4.02 -0.57 -4.92 117.16 116.45 2pnk n TYR 291 Ca 0.05 -3.97 0.12 0.00 -0.01 0.00 0.00 57.90 54.09 2pnk n TYR 291 Cb 0.41 -0.49 0.59 0.00 -0.02 0.00 0.00 39.34 39.83 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 3.54 0.00 -0.39 -0.72 0.13 -1.71 -1.21 132.00 131.64 2pnk h PRO 292 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 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 0.73 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 2pnk n ASN 293 N -2.35 2.75 -4.77 1.44 3.02 -1.26 -4.88 115.26 109.21 2pnk n ASN 293 Ca 0.00 -1.92 -0.31 0.00 -0.03 0.00 0.00 54.58 52.32 2pnk n ASN 293 Cb 0.13 -0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.32 5.55 -0.09 6.41 -0.87 -0.46 -4.78 114.94 119.38 2pnk s ASN 294 Ca 0.36 0.04 -0.02 0.00 -1.57 0.00 0.00 52.86 51.67 2pnk s ASN 294 Cb 0.20 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.25 39.88 2pnk s ASN 294 CO 0.27 0.21 -0.01 -0.54 -2.57 0.00 0.00 177.10 174.47 2pnk s LYS 295 N -2.15 2.97 -0.05 -0.60 1.02 -1.26 -4.85 119.74 114.81 2pnk s LYS 295 Ca 0.27 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.86 2pnk s LYS 295 Cb -0.12 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 2pnk s LYS 295 CO 0.19 0.69 -0.12 -0.06 -0.92 0.00 0.00 175.35 175.13 2pnk s PHE 296 N -0.85 1.35 -0.19 3.18 0.40 -0.15 -1.41 117.98 120.32 2pnk s PHE 296 Ca 0.13 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.96 2pnk s PHE 296 Cb -0.11 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 2pnk s PHE 296 CO 0.02 -0.21 0.03 -0.51 0.70 0.00 0.00 175.22 175.25 2pnk s LEU 297 N 0.43 3.52 -0.02 -0.37 1.43 -0.26 -4.33 118.68 119.09 2pnk s LEU 297 Ca -0.09 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2pnk s LEU 297 Cb -0.13 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2pnk s LEU 297 CO 0.02 0.12 -0.11 -0.69 0.23 0.00 0.00 176.35 175.93 2pnk s VAL 298 N 0.65 0.88 0.25 -1.59 1.01 -1.26 -4.09 120.40 116.24 2pnk s VAL 298 Ca 0.01 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2pnk s VAL 298 Cb -0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2pnk s VAL 298 CO 0.02 0.26 0.17 1.07 0.00 0.00 0.00 175.10 176.61 2pnk n THR 299 N 2.96 0.00 0.00 3.92 5.66 -1.26 -1.93 114.28 123.63 2pnk n THR 299 Ca -0.15 -1.68 0.00 0.00 -3.05 0.00 0.00 64.05 59.17 2pnk n THR 299 Cb 0.55 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.11 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 -0.28 -1.48 117.00 119.49 2pnk n LEU 301 Ca 0.03 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.54 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 0.36 -0.55 -1.11 0.00 0.00 177.39 176.31 2pnk s SER 302 N -0.48 7.15 0.31 1.96 0.15 -1.26 -4.75 113.70 116.77 2pnk s SER 302 Ca 0.00 1.36 -0.00 0.00 0.70 0.00 0.00 55.95 58.01 2pnk s SER 302 Cb 0.00 -2.41 0.51 0.00 -1.71 0.00 0.00 66.02 62.40 2pnk s SER 302 CO 0.00 0.18 1.96 -0.09 1.20 0.00 0.00 173.24 176.50 2pnk h ARG 303 N 4.89 1.01 0.00 5.44 2.43 -1.95 -2.49 114.38 123.70 2pnk h ARG 303 Ca -0.47 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2pnk h ARG 303 Cb 1.21 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2pnk h ARG 303 CO 0.66 0.67 0.00 0.39 -1.51 0.00 0.00 179.97 180.18 2pnk n GLU 304 N -4.43 0.57 0.00 0.20 4.71 -1.26 -2.42 120.64 118.01 2pnk n GLU 304 Ca 0.10 0.02 0.11 0.00 -0.01 0.00 0.00 57.16 57.38 2pnk n GLU 304 Cb 0.08 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.02 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 -1.18 0.75 -0.06 1.62 5.03 -0.94 -4.71 115.26 115.77 2pnk n ASN 305 Ca 0.16 -0.61 -0.13 0.00 0.87 0.00 0.00 54.58 54.87 2pnk n ASN 305 Cb 0.17 0.78 -0.06 0.00 -1.02 0.00 0.00 39.78 39.65 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 0.00 0.41 -0.03 3.52 1.08 -1.57 -1.03 115.11 117.50 2pnk h GLN 306 Ca 0.00 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2pnk h GLN 306 Cb 0.55 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2pnk h GLN 306 CO 0.00 0.77 0.02 1.25 -0.95 0.00 0.00 178.83 179.91 2pnk h HIS 307 N 0.07 0.04 -0.05 2.96 2.76 -1.84 -2.18 115.15 116.92 2pnk h HIS 307 Ca 0.03 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2pnk h HIS 307 Cb 0.68 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 2pnk h HIS 307 CO 0.08 0.13 -0.24 1.05 -1.30 0.00 0.00 177.93 177.64 2pnk h GLU 308 N -0.06 0.08 -0.73 5.26 4.11 -1.85 -1.05 114.58 120.34 2pnk h GLU 308 Ca 0.01 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2pnk h GLU 308 Cb 0.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2pnk h GLU 308 CO -0.00 0.32 0.25 1.25 0.07 0.00 0.00 179.01 180.90 2pnk h LEU 309 N 0.07 1.03 -0.33 3.06 5.85 -0.99 -0.11 115.31 123.89 2pnk h LEU 309 Ca 0.01 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2pnk h LEU 309 Cb 0.47 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2pnk h LEU 309 CO 0.03 0.94 0.13 0.58 -0.34 0.00 0.00 178.44 179.79 2pnk h VAL 310 N 1.07 1.18 -1.00 1.05 2.07 -0.58 -2.15 116.25 117.89 2pnk h VAL 310 Ca 0.24 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2pnk h VAL 310 Cb 0.26 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2pnk h VAL 310 CO -0.01 0.20 0.66 0.58 0.02 0.00 0.00 177.57 179.01 2pnk h VAL 311 N 0.38 1.20 -0.95 2.57 2.07 -1.01 -1.95 116.25 118.57 2pnk h VAL 311 Ca 0.11 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2pnk h VAL 311 Cb 0.18 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.69 2pnk h VAL 311 CO -0.01 0.24 0.63 0.25 0.02 0.00 0.00 177.57 178.69 2pnk h LEU 312 N 1.30 1.05 -1.34 2.57 5.85 -0.75 -2.12 115.31 121.87 2pnk h LEU 312 Ca 0.39 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 2pnk h LEU 312 Cb -0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2pnk h LEU 312 CO -0.11 0.73 0.07 0.00 -0.34 0.00 0.00 178.44 178.79 2pnk h ALA 313 N 1.44 1.47 -0.29 1.25 0.00 -0.71 -1.40 119.26 121.01 2pnk h ALA 313 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2pnk h ALA 313 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2pnk h ALA 313 CO -0.11 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.69 2pnk h ARG 314 N 0.51 0.39 0.00 0.00 3.08 -0.83 -3.13 114.38 114.41 2pnk h ARG 314 Ca 0.12 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 2pnk h ARG 314 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2pnk h ARG 314 CO -0.00 0.29 -0.99 0.87 -1.07 0.00 0.00 179.97 179.07 2pnk h LYS 315 N 0.40 0.00 -3.58 0.04 1.79 -1.07 -3.45 116.57 110.69 2pnk h LYS 315 Ca 0.10 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.07 2pnk h LYS 315 Cb 0.01 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.27 2pnk h LYS 315 CO -0.02 0.96 -0.77 -0.06 -1.08 0.00 0.00 179.45 178.49 2pnk s PHE 316 N -2.72 1.00 -0.52 -1.35 0.08 -0.87 -5.00 117.98 108.61 2pnk s PHE 316 Ca 0.01 -0.78 0.22 0.00 0.12 0.00 0.00 56.93 56.50 2pnk s PHE 316 Cb 0.10 -1.01 0.94 0.00 -0.57 0.00 0.00 43.02 42.48 2pnk s PHE 316 CO 0.82 -0.58 1.66 -1.13 -0.10 0.00 0.00 175.22 175.89 2pnk n SER 317 N 5.06 0.56 -0.50 1.36 3.41 -1.26 -1.85 113.62 120.40 2pnk n SER 317 Ca -0.09 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 2pnk n SER 317 Cb 0.47 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.14 1.47 -3.77 4.04 6.94 -1.26 -5.04 115.26 115.50 2pnk n ASN 318 Ca 0.02 -1.79 -0.12 0.00 -0.02 0.00 0.00 54.58 52.67 2pnk n ASN 318 Cb 0.19 -0.13 0.04 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.23 0.00 -3.61 -4.53 7.94 -0.77 -0.97 117.00 115.28 2pnk n LEU 319 Ca 0.14 -1.52 -0.15 0.00 -1.11 0.00 0.00 56.01 53.36 2pnk n LEU 319 Cb 0.27 -0.25 -0.07 0.00 0.53 0.00 0.00 43.42 43.90 2pnk n LEU 319 CO 0.10 -0.62 0.37 0.27 -1.11 0.00 0.00 177.39 176.40 2pnk s ILE 321 N -1.19 0.00 -0.01 1.96 -4.36 -1.26 -4.94 121.20 111.40 2pnk s ILE 321 Ca 0.36 -0.03 -0.01 0.00 -0.26 0.00 0.00 60.65 60.72 2pnk s ILE 321 Cb -0.03 -0.93 0.01 0.00 1.25 0.00 0.00 42.46 42.76 2pnk s ILE 321 CO 0.23 -0.01 0.03 0.72 0.24 0.00 0.00 174.94 176.15 2pnk s PHE 322 N -0.26 -0.02 0.08 1.37 -0.71 -0.81 -2.50 117.98 115.13 2pnk s PHE 322 Ca -0.04 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2pnk s PHE 322 Cb -0.03 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 2pnk s PHE 322 CO 0.04 -0.04 0.00 0.41 -1.34 0.00 0.00 175.22 174.29 2pnk n GLY 323 N 3.37 -2.03 2.95 1.99 0.00 -0.20 -4.40 105.19 106.86 2pnk n GLY 323 Ca -0.16 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 0.50 3.42 0.00 0.00 -0.00 -1.26 -3.38 118.94 118.22 2pnk s TRP 325 Ca 0.13 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 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 -0.06 -0.31 0.00 1.87 -0.00 0.00 0.00 176.95 178.46 2pnk n TRP 326 N 5.48 0.00 -0.33 5.86 -0.00 -1.26 -3.94 117.44 123.25 2pnk n TRP 326 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.55 2pnk n TRP 326 Cb 0.48 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 -3.99 5.87 3.72 -1.26 -4.66 117.46 117.14 2pnk n PHE 327 Ca 0.00 -0.55 -0.40 0.00 -0.05 0.00 0.00 57.45 56.45 2pnk n PHE 327 Cb 0.00 -0.63 0.02 0.00 -0.94 0.00 0.00 39.48 37.93 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 2.24 -4.39 -3.82 4.37 5.15 -1.22 -5.03 115.26 112.56 2pnk n ASN 329 Ca 0.09 -1.20 -0.14 0.00 -0.60 0.00 0.00 54.58 52.73 2pnk n ASN 329 Cb 0.31 -1.73 -0.15 0.00 -0.53 0.00 0.00 39.78 37.68 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 -3.38 0.04 0.31 1.20 0.01 -1.26 -5.01 114.94 106.85 2pnk s ASN 330 Ca 0.36 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.58 2pnk s ASN 330 Cb -0.20 -0.04 0.83 0.00 0.41 0.00 0.00 41.25 42.25 2pnk s ASN 330 CO 0.95 -0.07 1.63 -0.65 -1.51 0.00 0.00 177.10 177.45 2pnk h PRO 331 N 6.73 0.15 -0.92 -0.60 0.11 -1.98 0.16 132.00 135.64 2pnk h PRO 331 Ca -0.35 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.77 2pnk h PRO 331 Cb 1.16 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2pnk h PRO 331 CO 0.49 0.10 0.61 1.49 -0.21 0.00 0.00 178.00 180.48 2pnk h GLU 332 N 0.16 1.17 0.23 1.05 4.57 -1.99 -1.49 114.58 118.27 2pnk h GLU 332 Ca 0.61 -0.07 -0.34 0.00 -1.18 0.00 0.00 59.36 58.38 2pnk h GLU 332 Cb 1.32 -0.26 0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2pnk h GLU 332 CO -0.72 0.78 -1.59 0.82 -1.18 0.00 0.00 179.01 177.12 2pnk h ILE 333 N 1.21 1.15 -0.72 2.32 2.04 -1.48 -2.83 117.51 119.19 2pnk h ILE 333 Ca 0.35 -2.64 0.08 0.00 1.00 0.00 0.00 64.86 63.66 2pnk h ILE 333 Cb -0.07 2.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 2pnk h ILE 333 CO -0.10 0.83 0.38 0.40 0.00 0.00 0.00 178.15 179.67 2pnk h ILE 334 N 0.13 0.91 0.32 -0.67 2.04 -0.96 -2.89 117.51 116.39 2pnk h ILE 334 Ca -0.29 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 2pnk h ILE 334 Cb 2.15 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2pnk h ILE 334 CO 0.24 0.12 -0.15 -1.13 0.00 0.00 0.00 178.15 177.23 2pnk h ASN 335 N 0.67 -0.36 0.00 1.72 -1.24 -1.34 0.13 115.58 115.16 2pnk h ASN 335 Ca 0.34 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2pnk h ASN 335 Cb 0.30 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2pnk h ASN 335 CO -0.23 -0.14 0.00 -1.84 -1.29 0.00 0.00 177.43 173.92 2pnk n GLU 336 N -5.22 0.34 0.00 6.67 0.28 -1.07 -2.16 120.64 119.48 2pnk n GLU 336 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2pnk n GLU 336 Cb 0.23 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.77 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 0.81 0.00 0.38 3.84 -1.04 0.03 -4.63 114.28 113.67 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 0.16 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.38 -0.30 -2.82 1.74 -0.92 -4.59 116.66 110.15 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 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.41 -0.45 0.00 5.56 1.74 -1.26 -5.02 116.66 117.64 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 0.11 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 -0.30 -0.77 0.00 5.56 1.02 -1.26 -3.80 120.64 121.09 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 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 -5.15 117.00 110.74 2pnk n LEU 345 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pnk n LEU 345 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pnk n LEU 345 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pnk n GLY 346 N 0.00 3.77 1.17 -0.72 0.00 -1.25 -1.58 105.19 106.58 2pnk n GLY 346 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 1.71 -1.42 2.61 -2.24 -1.26 -4.74 114.28 108.93 2pnk n THR 347 Ca 0.00 -1.30 -0.26 0.00 -2.27 0.00 0.00 64.05 60.21 2pnk n THR 347 Cb 0.00 0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 2pnk n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pnk n SER 348 N 0.59 6.62 -3.56 3.42 3.41 -0.62 -4.72 113.62 118.77 2pnk n SER 348 Ca 0.21 -2.93 -0.10 0.00 -0.26 0.00 0.00 58.87 55.79 2pnk n SER 348 Cb 0.77 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.49 0.38 -0.37 7.33 -0.71 -1.26 -4.84 117.98 118.01 2pnk s PHE 349 Ca 0.61 -0.80 -0.04 0.00 -1.04 0.00 0.00 56.93 55.67 2pnk s PHE 349 Cb 0.31 0.36 0.08 0.00 -1.21 0.00 0.00 43.02 42.56 2pnk s PHE 349 CO -0.12 -1.20 0.13 0.42 -1.34 0.00 0.00 175.22 173.11 2pnk s ILE 350 N -3.39 3.38 0.42 -4.49 1.01 -1.04 -4.66 121.20 112.44 2pnk s ILE 350 Ca 0.21 -1.64 0.10 0.00 0.00 0.00 0.00 60.65 59.32 2pnk s ILE 350 Cb -0.03 -3.12 0.22 0.00 0.01 0.00 0.00 42.46 39.54 2pnk s ILE 350 CO 0.12 -0.42 2.01 1.55 0.00 0.00 0.00 174.94 178.20 2pnk h PRO 351 N 8.10 0.27 -2.68 2.79 0.13 -1.86 -0.51 132.00 138.24 2pnk h PRO 351 Ca -0.18 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 2pnk h PRO 351 Cb 1.06 -0.05 -0.18 0.00 0.13 0.00 0.00 31.00 31.96 2pnk h PRO 351 CO 0.64 0.28 -0.01 -1.14 -0.23 0.00 0.00 178.00 177.55 2pnk s GLN 352 N -5.03 0.95 0.14 0.86 2.00 -1.26 -3.61 119.66 113.72 2pnk s GLN 352 Ca -0.06 -0.13 0.01 0.00 -2.00 0.00 0.00 55.36 53.19 2pnk s GLN 352 Cb 0.16 0.43 -0.04 0.00 0.80 0.00 0.00 33.01 34.36 2pnk s GLN 352 CO 0.72 -0.32 -0.01 -3.38 -0.50 0.00 0.00 175.29 171.80 2pnk s HIS 353 N -1.93 1.07 -0.06 1.67 -3.43 -1.26 -4.68 115.29 106.67 2pnk s HIS 353 Ca -0.08 -1.02 0.04 0.00 -0.80 0.00 0.00 55.06 53.20 2pnk s HIS 353 Cb -0.01 -0.61 -0.25 0.00 -1.43 0.00 0.00 32.58 30.28 2pnk s HIS 353 CO 0.02 -0.23 0.60 0.66 -2.00 0.00 0.00 174.74 173.79 2pnk h SER 354 N 2.80 0.18 -2.11 7.38 4.64 -1.93 -3.44 113.55 121.07 2pnk h SER 354 Ca -0.36 -0.38 -0.39 0.00 -0.47 0.00 0.00 61.79 60.19 2pnk h SER 354 Cb 1.19 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 2pnk h SER 354 CO 0.63 1.34 -0.43 0.47 -0.87 0.00 0.00 176.83 177.96 2pnk n ASP 355 N -3.24 -5.35 -4.69 4.97 8.00 -0.48 -4.90 116.55 110.87 2pnk n ASP 355 Ca -0.21 0.25 -0.45 0.00 0.71 0.00 0.00 54.79 55.09 2pnk n ASP 355 Cb 1.05 -4.60 -0.04 0.00 -0.02 0.00 0.00 41.12 37.51 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 -0.42 1.85 0.38 2.24 0.00 -1.26 -4.24 120.51 119.06 2pnk n ALA 356 Ca -0.21 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2pnk n ALA 356 Cb 0.66 -2.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.51 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 4.36 0.61 -4.66 0.00 1.74 -1.26 -0.06 116.66 117.39 2pnk n ARG 357 Ca 0.18 -0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 2pnk n ARG 357 Cb 0.32 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 2pnk n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnk s VAL 358 N -3.14 1.50 0.22 1.55 1.01 -1.26 -4.29 120.40 115.99 2pnk s VAL 358 Ca -0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2pnk s VAL 358 Cb 0.14 -1.35 0.25 0.00 0.00 0.00 0.00 36.38 35.41 2pnk s VAL 358 CO 0.81 0.44 1.58 0.25 0.00 0.00 0.00 175.10 178.18 2pnk h LEU 359 N 7.13 -1.09 -2.61 3.92 5.85 -1.08 -0.25 115.31 127.16 2pnk h LEU 359 Ca -0.28 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2pnk h LEU 359 Cb 1.19 0.61 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 2pnk h LEU 359 CO 0.48 -0.29 0.03 -0.33 -0.34 0.00 0.00 178.44 177.99 2pnk h GLU 360 N -0.05 0.00 -0.06 1.25 3.07 -1.95 -2.57 114.58 114.27 2pnk h GLU 360 Ca 0.33 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.21 2pnk h GLU 360 Cb 0.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2pnk h GLU 360 CO -0.84 0.00 0.13 1.96 -1.40 0.00 0.00 179.01 178.86 2pnk h GLN 361 N 0.00 0.00 -0.64 2.33 4.20 -1.44 -1.36 115.11 118.20 2pnk h GLN 361 Ca 0.01 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2pnk h GLN 361 Cb 0.06 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2pnk h GLN 361 CO -0.00 0.00 0.43 -0.07 -0.67 0.00 0.00 178.83 178.52 2pnk h LEU 362 N 0.00 0.39 0.57 1.46 3.38 -1.63 -0.87 115.31 118.60 2pnk h LEU 362 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2pnk h LEU 362 Cb 0.29 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pnk h LEU 362 CO -0.00 0.23 -0.27 0.40 0.09 0.00 0.00 178.44 178.89 2pnk h ILE 363 N 0.43 0.40 -0.27 1.22 2.04 -1.49 -2.36 117.51 117.49 2pnk h ILE 363 Ca 0.30 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.82 2pnk h ILE 363 Cb 0.59 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2pnk h ILE 363 CO -0.09 0.03 -0.41 0.10 0.00 0.00 0.00 178.15 177.78 2pnk h TYR 364 N -0.89 0.93 -0.60 1.37 -0.00 -1.63 -1.31 116.97 114.84 2pnk h TYR 364 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 58.73 58.33 2pnk h TYR 364 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 36.73 37.15 2pnk h TYR 364 CO -0.01 1.10 0.34 0.87 -0.00 0.00 0.00 178.16 180.46 2pnk h LYS 365 N 0.50 0.83 -0.07 0.10 1.79 -1.24 0.24 116.57 118.73 2pnk h LYS 365 Ca 0.02 -0.09 -0.22 0.00 -2.18 0.00 0.00 60.65 58.18 2pnk h LYS 365 Cb 1.01 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2pnk h LYS 365 CO 0.10 0.63 -0.86 -1.49 -1.08 0.00 0.00 179.45 176.74 2pnk h TRP 366 N 0.82 0.84 -0.05 -1.35 4.06 -1.45 -2.48 115.95 116.33 2pnk h TRP 366 Ca 0.21 -0.41 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 2pnk h TRP 366 Cb 0.03 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.07 2pnk h TRP 366 CO -0.01 1.22 0.00 1.25 -3.56 0.00 0.00 178.44 177.34 2pnk h HIS 367 N 0.38 0.10 -0.64 0.49 2.76 -0.95 0.12 115.15 117.41 2pnk h HIS 367 Ca -0.07 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 2pnk h HIS 367 Cb 1.48 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.38 2pnk h HIS 367 CO 0.07 0.37 0.30 0.45 -1.30 0.00 0.00 177.93 177.82 2pnk h HIS 368 N -0.19 0.93 -0.20 5.26 3.86 -0.61 -2.66 115.15 121.54 2pnk h HIS 368 Ca 0.02 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 2pnk h HIS 368 Cb 0.33 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 2pnk h HIS 368 CO 0.03 0.71 -0.35 0.77 0.86 0.00 0.00 177.93 179.95 2pnk h SER 369 N 0.89 0.66 -0.94 2.45 0.02 -1.39 -3.17 113.55 112.07 2pnk h SER 369 Ca 0.22 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2pnk h SER 369 Cb 0.13 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 2pnk h SER 369 CO -0.03 1.07 0.59 0.11 -1.14 0.00 0.00 176.83 177.43 2pnk h LYS 370 N 0.28 1.26 -0.83 3.45 1.57 -0.96 -0.53 116.57 120.80 2pnk h LYS 370 Ca 0.01 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2pnk h LYS 370 Cb 0.94 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 2pnk h LYS 370 CO 0.08 0.86 0.54 0.66 -0.57 0.00 0.00 179.45 181.01 2pnk h SER 371 N 1.28 0.90 -0.17 0.86 4.64 -1.49 0.14 113.55 119.71 2pnk h SER 371 Ca 0.34 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 2pnk h SER 371 Cb -0.10 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 2pnk h SER 371 CO -0.07 0.62 -0.43 0.40 -0.87 0.00 0.00 176.83 176.48 2pnk h ILE 372 N 1.05 1.34 -0.40 0.95 2.04 -1.40 -2.60 117.51 118.50 2pnk h ILE 372 Ca 0.32 -1.69 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 2pnk h ILE 372 Cb -0.02 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2pnk h ILE 372 CO -0.10 0.52 -0.04 0.40 0.00 0.00 0.00 178.15 178.92 2pnk h ILE 373 N 0.24 1.23 -0.60 -0.67 2.04 -0.88 -2.03 117.51 116.85 2pnk h ILE 373 Ca -0.01 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2pnk h ILE 373 Cb 1.05 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2pnk h ILE 373 CO 0.09 0.34 0.31 0.00 0.00 0.00 0.00 178.15 178.89 2pnk h ALA 374 N 1.33 0.77 -0.61 1.87 0.00 -0.69 -0.73 119.26 121.21 2pnk h ALA 374 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pnk h ALA 374 Cb 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pnk h ALA 374 CO 0.02 0.31 0.36 0.93 0.00 0.00 0.00 179.25 180.88 2pnk h GLU 375 N 0.82 0.83 -0.18 0.00 5.08 -1.05 -0.89 114.58 119.19 2pnk h GLU 375 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2pnk h GLU 375 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2pnk h GLU 375 CO -0.03 0.60 0.11 0.28 -1.00 0.00 0.00 179.01 178.97 2pnk h VAL 376 N 0.83 1.09 -0.72 3.13 2.07 -1.10 -2.29 116.25 119.26 2pnk h VAL 376 Ca 0.22 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2pnk h VAL 376 Cb -0.01 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2pnk h VAL 376 CO -0.04 0.08 0.45 -0.07 0.02 0.00 0.00 177.57 178.01 2pnk h LEU 377 N 0.21 0.72 -0.35 2.57 3.38 -0.80 -1.36 115.31 119.68 2pnk h LEU 377 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2pnk h LEU 377 Cb 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2pnk h LEU 377 CO -0.01 0.49 0.17 0.40 0.09 0.00 0.00 178.44 179.58 2pnk h ILE 378 N 0.86 0.97 -0.55 1.22 2.04 -1.09 0.23 117.51 121.20 2pnk h ILE 378 Ca 0.30 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2pnk h ILE 378 Cb 0.05 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2pnk h ILE 378 CO -0.12 0.06 0.29 0.44 0.00 0.00 0.00 178.15 178.82 2pnk h ASP 379 N 0.35 0.69 -0.28 1.72 3.32 -0.97 0.18 116.42 121.43 2pnk h ASP 379 Ca 0.15 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 2pnk h ASP 379 Cb 0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2pnk h ASP 379 CO -0.11 0.60 -0.53 0.11 -1.72 0.00 0.00 179.24 177.59 2pnk h LYS 380 N 0.73 0.87 -0.45 3.56 6.56 -0.87 -1.36 116.57 125.61 2pnk h LYS 380 Ca 0.19 -0.54 -0.08 0.00 -1.06 0.00 0.00 60.65 59.16 2pnk h LYS 380 Cb 0.07 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2pnk h LYS 380 CO -0.03 1.17 -0.04 1.88 -2.06 0.00 0.00 179.45 180.37 2pnk h TYR 381 N 0.67 0.90 -0.90 -1.35 0.05 -0.44 -3.01 116.97 112.89 2pnk h TYR 381 Ca 0.02 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.65 2pnk h TYR 381 Cb 1.13 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.59 2pnk h TYR 381 CO 0.07 0.89 0.59 0.22 -1.05 0.00 0.00 178.16 178.88 2pnk h ASP 382 N 0.66 1.00 -0.73 3.88 3.58 -0.55 0.17 116.42 124.43 2pnk h ASP 382 Ca 0.12 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2pnk h ASP 382 Cb 0.56 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 2pnk h ASP 382 CO 0.03 0.70 0.46 0.44 -2.88 0.00 0.00 179.24 177.99 2pnk h ASP 383 N 1.17 0.86 0.86 2.28 3.32 -1.16 -0.79 116.42 122.96 2pnk h ASP 383 Ca 0.35 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.18 2pnk h ASP 383 Cb -0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2pnk h ASP 383 CO -0.10 0.65 -0.82 0.16 -1.72 0.00 0.00 179.24 177.40 2pnk h ILE 384 N 0.99 1.57 -0.42 0.35 3.07 -1.36 -2.67 117.51 119.04 2pnk h ILE 384 Ca 0.26 -2.84 -0.04 0.00 1.55 0.00 0.00 64.86 63.80 2pnk h ILE 384 Cb -0.07 2.54 -0.02 0.00 -0.27 0.00 0.00 36.82 39.00 2pnk h ILE 384 CO -0.05 0.80 0.10 -0.07 -1.05 0.00 0.00 178.15 177.89 2pnk h LEU 385 N 0.00 0.57 -1.13 0.16 3.38 -0.69 -1.07 115.31 116.53 2pnk h LEU 385 Ca -0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2pnk h LEU 385 Cb 1.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2pnk h LEU 385 CO 0.11 0.57 -0.25 1.56 0.09 0.00 0.00 178.44 180.52 2pnk h GLN 386 N 0.60 0.00 -0.00 1.13 4.20 -0.94 -2.27 115.11 117.83 2pnk h GLN 386 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2pnk h GLN 386 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2pnk h GLN 386 CO -0.00 0.25 -0.01 0.00 -0.67 0.00 0.00 178.83 178.39 2pnk n ALA 387 N -2.24 2.65 0.00 3.87 0.00 -0.76 -4.91 120.51 119.11 2pnk n ALA 387 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2pnk n ALA 387 Cb 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.11 0.52 3.79 0.00 0.00 -0.85 -5.07 105.19 104.68 2pnk n GLY 388 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 3.21 -0.27 1.61 -0.11 -0.48 -4.98 118.94 115.92 2pnk s TRP 389 Ca 0.00 1.63 -0.07 0.00 1.22 0.00 0.00 56.10 58.88 2pnk s TRP 389 Cb 0.00 -3.08 -0.00 0.00 -1.50 0.00 0.00 33.47 28.89 2pnk s TRP 389 CO 0.00 -0.61 0.06 -1.21 -4.62 0.00 0.00 176.95 170.57 2pnk s GLU 390 N -2.75 3.29 -0.06 5.86 2.02 -1.26 -4.19 118.70 121.61 2pnk s GLU 390 Ca 0.61 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 54.69 2pnk s GLU 390 Cb -0.19 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2pnk s GLU 390 CO 0.24 -0.34 0.50 0.08 0.02 0.00 0.00 175.26 175.75 2pnk s VAL 391 N 1.53 5.07 0.28 2.63 1.01 -1.26 -4.91 120.40 124.76 2pnk s VAL 391 Ca 0.04 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2pnk s VAL 391 Cb -0.16 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2pnk s VAL 391 CO 0.02 0.41 0.48 0.42 0.00 0.00 0.00 175.10 176.42 2pnk s THR 392 N 0.03 5.15 0.32 3.92 -4.23 -1.26 -2.55 115.64 117.01 2pnk s THR 392 Ca 0.27 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2pnk s THR 392 Cb -0.16 -3.81 0.23 0.00 1.34 0.00 0.00 72.50 70.10 2pnk s THR 392 CO 0.13 -0.39 1.95 -0.08 -0.54 0.00 0.00 174.62 175.70 2pnk h GLU 393 N 1.30 0.86 0.00 3.99 4.81 -1.98 -1.66 114.58 121.89 2pnk h GLU 393 Ca -0.49 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 2pnk h GLU 393 Cb 1.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2pnk h GLU 393 CO 0.64 0.63 -0.28 0.93 -0.73 0.00 0.00 179.01 180.19 2pnk h GLU 394 N 0.87 0.00 -0.21 1.92 4.39 -1.99 -0.97 114.58 118.59 2pnk h GLU 394 Ca 0.22 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.72 2pnk h GLU 394 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2pnk h GLU 394 CO -0.04 0.28 -0.67 0.93 -1.16 0.00 0.00 179.01 178.36 2pnk h GLU 395 N 0.00 0.80 0.05 2.33 5.08 -1.73 -2.28 114.58 118.83 2pnk h GLU 395 Ca -0.00 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2pnk h GLU 395 Cb 0.55 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2pnk h GLU 395 CO 0.04 1.20 -0.04 0.82 -1.00 0.00 0.00 179.01 180.03 2pnk h ILE 396 N 0.58 0.92 -0.85 3.13 2.04 -1.10 0.32 117.51 122.56 2pnk h ILE 396 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 2pnk h ILE 396 Cb 1.28 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 2pnk h ILE 396 CO 0.14 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.87 2pnk h LYS 397 N -0.09 0.71 0.04 2.37 1.57 -1.20 0.80 116.57 120.77 2pnk h LYS 397 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2pnk h LYS 397 Cb 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2pnk h LYS 397 CO 0.00 0.47 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.24 2pnk h ARG 398 N 0.73 -0.05 -0.38 3.15 2.43 -1.03 -0.65 114.38 118.58 2pnk h ARG 398 Ca 0.43 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.62 2pnk h ARG 398 Cb 0.50 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2pnk h ARG 398 CO -0.30 0.08 0.23 -0.44 -1.51 0.00 0.00 179.97 178.04 2pnk h ASP 399 N -0.17 0.38 -0.79 -3.80 3.32 -0.32 -0.31 116.42 114.72 2pnk h ASP 399 Ca -0.01 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2pnk h ASP 399 Cb 0.16 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2pnk h ASP 399 CO 0.01 0.28 0.40 0.58 -1.72 0.00 0.00 179.24 178.78 2pnk h VAL 400 N 0.47 1.25 -0.89 -1.35 2.07 -0.85 -1.67 116.25 115.28 2pnk h VAL 400 Ca 0.15 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2pnk h VAL 400 Cb -0.02 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2pnk h VAL 400 CO -0.06 0.29 0.58 0.00 0.02 0.00 0.00 177.57 178.40 2pnk h ALA 401 N 1.21 1.13 0.22 1.67 0.00 -0.71 -1.49 119.26 121.29 2pnk h ALA 401 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2pnk h ALA 401 Cb 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2pnk h ALA 401 CO -0.04 0.54 -0.13 -0.44 0.00 0.00 0.00 179.25 179.19 2pnk h ASP 402 N 1.21 -0.31 -0.82 0.00 3.32 -0.67 0.14 116.42 119.29 2pnk h ASP 402 Ca 0.32 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 2pnk h ASP 402 Cb -0.12 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2pnk h ASP 402 CO -0.07 -0.21 0.44 -0.07 -1.72 0.00 0.00 179.24 177.61 2pnk h LEU 403 N -0.33 1.03 -0.68 1.55 3.38 -1.11 -0.69 115.31 118.46 2pnk h LEU 403 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pnk h LEU 403 Cb 0.27 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pnk h LEU 403 CO 0.03 0.84 -0.53 0.49 0.09 0.00 0.00 178.44 179.36 2pnk n PHE 404 N -4.39 0.00 0.10 1.13 3.72 -0.58 -4.26 117.46 113.19 2pnk n PHE 404 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2pnk n PHE 404 Cb 0.10 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.48 -1.84 0.03 4.37 2.88 -0.65 -1.25 113.62 116.69 2pnk n SER 405 Ca 0.09 0.40 -0.10 0.00 -1.33 0.00 0.00 58.87 57.93 2pnk n SER 405 Cb 0.42 1.98 0.04 0.00 -0.75 0.00 0.00 64.21 65.89 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 0.49 -0.92 -1.46 3.08 -0.65 -2.88 114.38 112.04 2pnk h ARG 406 Ca 0.00 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.76 2pnk h ARG 406 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2pnk h ARG 406 CO 0.00 0.98 0.58 -0.91 -1.07 0.00 0.00 179.97 179.55 2pnk h ASN 407 N 0.35 0.93 0.27 7.04 2.35 -1.34 0.06 115.58 125.24 2pnk h ASN 407 Ca -0.02 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2pnk h ASN 407 Cb 1.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2pnk h ASN 407 CO 0.12 0.59 -0.13 0.15 -1.65 0.00 0.00 177.43 176.51 2pnk h PHE 408 N 1.06 -0.34 -0.50 1.19 3.57 -1.75 -1.76 116.94 118.41 2pnk h PHE 408 Ca 0.40 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 2pnk h PHE 408 Cb 0.17 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2pnk h PHE 408 CO -0.02 -0.03 0.22 -1.49 -2.23 0.00 0.00 178.31 174.76 2pnk h TRP 409 N -0.65 0.71 -0.52 0.41 4.06 -1.30 0.35 115.95 119.01 2pnk h TRP 409 Ca -0.04 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.79 2pnk h TRP 409 Cb 0.46 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 2pnk h TRP 409 CO 0.01 0.54 -0.08 -0.09 -3.56 0.00 0.00 178.44 175.26 2pnk h ARG 410 N 0.71 0.95 -0.19 0.49 2.43 -1.01 -1.94 114.38 115.83 2pnk h ARG 410 Ca 0.18 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.92 2pnk h ARG 410 Cb 0.11 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2pnk h ARG 410 CO -0.02 0.99 -0.28 0.35 -1.51 0.00 0.00 179.97 179.49 2pnk h PHE 411 N 0.86 0.65 0.00 2.20 3.57 -0.37 -3.11 116.94 120.74 2pnk h PHE 411 Ca 0.14 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2pnk h PHE 411 Cb 0.61 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2pnk h PHE 411 CO 0.04 0.93 0.00 1.33 -2.23 0.00 0.00 178.31 178.38 2pnk n VAL 412 N -4.36 0.43 -2.68 1.41 0.24 0.02 -4.89 118.33 108.49 2pnk n VAL 412 Ca -0.06 0.11 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 2pnk n VAL 412 Cb 0.46 -0.73 0.02 0.00 -1.47 0.00 0.00 33.84 32.12 2pnk n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pnk n GLY 413 N 0.71 0.03 3.19 7.63 0.00 -0.76 -4.83 105.19 111.16 2pnk n GLY 413 Ca 0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2pnk n GLY 413 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pnk s ARG 414 N -5.17 1.07 0.03 1.61 3.52 -1.02 -5.07 118.95 113.92 2pnk s ARG 414 Ca 0.17 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.26 2pnk s ARG 414 Cb -0.07 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.54 2pnk s ARG 414 CO 0.21 -0.33 0.11 -0.80 -0.81 0.00 0.00 175.30 173.68 2pnk s ASN 415 N -3.09 5.82 1.07 -2.12 0.01 -1.26 -4.50 114.94 110.87 2pnk s ASN 415 Ca 0.30 0.14 -0.06 0.00 -0.71 0.00 0.00 52.86 52.53 2pnk s ASN 415 Cb 0.07 -1.68 0.09 0.00 0.41 0.00 0.00 41.25 40.14 2pnk s ASN 415 CO 0.06 0.22 0.34 -0.90 -1.51 0.00 0.00 177.10 175.32 2pnk n ASP 416 N 0.79 -1.22 -0.10 -1.22 5.68 -1.26 -4.77 116.55 114.45 2pnk n ASP 416 Ca -0.10 -0.74 -0.11 0.00 -0.50 0.00 0.00 54.79 53.34 2pnk n ASP 416 Cb 0.52 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.16 2pnk n ASP 416 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2pnk h HIS 417 N -1.82 0.61 0.00 2.11 -0.00 -1.91 -2.72 115.15 111.41 2pnk h HIS 417 Ca -0.13 -0.12 -0.12 0.00 -0.00 0.00 0.00 60.37 60.00 2pnk h HIS 417 Cb 0.38 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 2pnk h HIS 417 CO 0.00 0.72 -0.57 0.28 -0.00 0.00 0.00 177.93 178.36 2pnk h VAL 418 N 0.32 1.26 0.00 5.26 2.07 -1.93 -2.77 116.25 120.45 2pnk h VAL 418 Ca 0.08 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 2pnk h VAL 418 Cb 0.50 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2pnk h VAL 418 CO 0.02 0.56 -0.06 0.74 0.02 0.00 0.00 177.57 178.85 2pnk h THR 419 N 0.00 0.05 0.13 2.57 2.02 -1.92 -3.09 112.91 112.67 2pnk h THR 419 Ca -0.01 -1.07 -0.29 0.00 0.77 0.00 0.00 66.41 65.81 2pnk h THR 419 Cb 1.11 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2pnk h THR 419 CO 0.07 0.03 -1.37 0.28 0.37 0.00 0.00 175.52 174.90 2pnk h SER 420 N 0.00 0.42 0.83 4.18 0.02 -1.35 -1.24 113.55 116.41 2pnk h SER 420 Ca -0.00 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2pnk h SER 420 Cb 1.02 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2pnk h SER 420 CO 0.00 1.40 0.00 0.52 -1.14 0.00 0.00 176.83 177.61 2pnk n VAL 421 N -3.50 0.21 -0.11 2.27 0.31 -1.06 -3.48 118.33 112.97 2pnk n VAL 421 Ca -0.12 0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.08 2pnk n VAL 421 Cb 1.03 -0.61 -0.12 0.00 -0.91 0.00 0.00 33.84 33.23 2pnk n VAL 421 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2pnk n LYS 422 N -1.47 0.67 0.00 5.55 5.02 -1.17 -5.11 118.16 121.66 2pnk n LYS 422 Ca 0.07 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.58 2pnk n LYS 422 Cb 0.29 -1.55 0.31 0.00 -0.02 0.00 0.00 35.03 34.05 2pnk n LYS 422 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21