#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyn h MET 3 N 0.00 0.00 0.00 5.31 -0.00 -1.91 -2.60 114.93 115.73 1pyn h MET 3 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1pyn h MET 3 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 1pyn h MET 3 CO 0.00 0.00 -0.56 1.49 -0.00 0.00 0.00 176.91 177.84 1pyn h GLU 4 N 0.00 0.00 0.01 -0.10 4.81 -1.98 0.32 114.58 117.64 1pyn h GLU 4 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1pyn h GLU 4 Cb 0.81 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.21 1pyn h GLU 4 CO 0.00 0.56 -0.86 -0.22 -0.73 0.00 0.00 179.01 177.76 1pyn h LYS 5 N 0.00 0.57 -0.69 1.92 3.64 -1.94 -2.67 116.57 117.41 1pyn h LYS 5 Ca -0.01 -0.62 -0.06 0.00 -1.27 0.00 0.00 60.65 58.69 1pyn h LYS 5 Cb 1.11 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1pyn h LYS 5 CO 0.07 1.24 0.19 1.49 -2.27 0.00 0.00 179.45 180.17 1pyn h GLU 6 N 0.17 1.08 -0.14 1.90 4.81 -1.25 -2.57 114.58 118.58 1pyn h GLU 6 Ca -0.11 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 1pyn h GLU 6 Cb 1.54 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.72 1pyn h GLU 6 CO 0.17 0.95 -0.19 0.35 -0.73 0.00 0.00 179.01 179.56 1pyn h PHE 7 N 1.02 -0.49 0.00 0.92 3.57 -0.34 -1.73 116.94 119.88 1pyn h PHE 7 Ca 0.22 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1pyn h PHE 7 Cb 0.34 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1pyn h PHE 7 CO 0.03 -0.27 -0.14 0.93 -2.23 0.00 0.00 178.31 176.63 1pyn h GLU 8 N -0.23 0.00 -0.00 1.11 5.08 -1.29 -1.70 114.58 117.55 1pyn h GLU 8 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1pyn h GLU 8 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1pyn h GLU 8 CO -0.28 0.14 -0.00 1.96 -1.00 0.00 0.00 179.01 179.82 1pyn h GLN 9 N 0.00 0.00 -0.76 2.33 4.20 -0.94 0.13 115.11 120.07 1pyn h GLN 9 Ca -0.00 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1pyn h GLN 9 Cb 0.28 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 1pyn h GLN 9 CO 0.02 0.51 0.45 0.82 -0.67 0.00 0.00 178.83 179.96 1pyn h ILE 10 N -0.51 1.01 0.23 2.54 2.04 -1.11 -0.98 117.51 120.72 1pyn h ILE 10 Ca 0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1pyn h ILE 10 Cb 0.51 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1pyn h ILE 10 CO 0.00 0.15 -0.11 0.44 0.00 0.00 0.00 178.15 178.63 1pyn h ASP 11 N 0.83 -0.26 -0.36 1.72 5.19 -1.27 0.15 116.42 122.42 1pyn h ASP 11 Ca 0.33 -0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.68 1pyn h ASP 11 Cb 0.17 0.07 -0.09 0.00 0.18 0.00 0.00 39.33 39.66 1pyn h ASP 11 CO -0.17 -0.02 -0.44 0.50 -3.12 0.00 0.00 179.24 175.99 1pyn h LYS 12 N -0.50 -0.35 -0.81 3.56 3.64 -0.29 0.89 116.57 122.71 1pyn h LYS 12 Ca -0.03 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pyn h LYS 12 Cb 0.37 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1pyn h LYS 12 CO 0.05 -0.23 0.02 -1.13 -2.27 0.00 0.00 179.45 175.89 1pyn n SER 13 N -5.42 3.31 -3.28 4.20 3.41 -0.41 -4.95 113.62 110.48 1pyn n SER 13 Ca -0.01 -2.47 -0.11 0.00 -0.26 0.00 0.00 58.87 56.02 1pyn n SER 13 Cb 0.35 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1pyn n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pyn n GLY 14 N 0.26 -0.35 0.62 5.00 0.00 0.36 -4.84 105.19 106.24 1pyn n GLY 14 Ca 0.15 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.38 1pyn n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pyn n SER 15 N -0.29 1.70 -0.27 1.61 3.41 -0.26 -4.80 113.62 114.71 1pyn n SER 15 Ca -0.08 -3.83 -0.04 0.00 -0.26 0.00 0.00 58.87 54.66 1pyn n SER 15 Cb 0.20 -0.52 0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1pyn n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1pyn h TRP 16 N 0.98 0.94 -0.41 7.33 4.06 -1.89 -2.08 115.95 124.88 1pyn h TRP 16 Ca -0.01 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.01 1pyn h TRP 16 Cb 1.03 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.84 1pyn h TRP 16 CO 0.73 0.58 0.18 0.00 -3.56 0.00 0.00 178.44 176.36 1pyn h ALA 17 N 1.28 0.50 0.20 1.49 0.00 -1.92 0.20 119.26 121.01 1pyn h ALA 17 Ca 0.28 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pyn h ALA 17 Cb -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pyn h ALA 17 CO -0.07 -0.20 -0.13 0.00 0.00 0.00 0.00 179.25 178.85 1pyn h ALA 18 N 1.24 -0.31 -0.30 0.00 0.00 -1.82 0.78 119.26 118.86 1pyn h ALA 18 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pyn h ALA 18 Cb 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pyn h ALA 18 CO -0.15 -0.68 0.16 0.82 0.00 0.00 0.00 179.25 179.39 1pyn h ILE 19 N -0.32 1.13 -0.94 0.00 2.04 -1.21 -1.40 117.51 116.81 1pyn h ILE 19 Ca -0.02 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1pyn h ILE 19 Cb 0.27 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1pyn h ILE 19 CO 0.01 0.13 0.61 0.22 0.00 0.00 0.00 178.15 179.13 1pyn h TYR 20 N 0.36 1.12 -0.18 1.37 3.20 -0.84 -1.79 116.97 120.20 1pyn h TYR 20 Ca 0.10 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1pyn h TYR 20 Cb 0.07 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1pyn h TYR 20 CO -0.03 0.60 -0.34 0.37 -1.64 0.00 0.00 178.16 177.12 1pyn h GLN 21 N 1.11 0.38 -0.62 1.82 5.75 -0.27 -2.25 115.11 121.03 1pyn h GLN 21 Ca 0.40 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.64 1pyn h GLN 21 Cb 0.14 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1pyn h GLN 21 CO -0.15 0.67 0.02 -0.44 -2.65 0.00 0.00 178.83 176.29 1pyn h ASP 22 N 0.32 1.04 -0.20 -0.69 3.32 -0.43 -1.18 116.42 118.60 1pyn h ASP 22 Ca 0.04 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1pyn h ASP 22 Cb 0.75 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1pyn h ASP 22 CO 0.06 1.08 0.13 0.40 -1.72 0.00 0.00 179.24 179.18 1pyn h ILE 23 N 0.98 1.05 -0.62 0.35 2.04 -1.13 -1.00 117.51 119.18 1pyn h ILE 23 Ca 0.18 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1pyn h ILE 23 Cb 0.53 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1pyn h ILE 23 CO 0.03 0.05 0.33 0.03 0.00 0.00 0.00 178.15 178.59 1pyn h ARG 24 N 0.27 0.60 -0.73 2.37 3.08 -1.13 0.24 114.38 119.07 1pyn h ARG 24 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1pyn h ARG 24 Cb -0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1pyn h ARG 24 CO -0.02 0.40 0.45 1.25 -1.07 0.00 0.00 179.97 180.97 1pyn h HIS 25 N 0.62 0.95 0.00 3.04 2.76 -0.65 -2.63 115.15 119.24 1pyn h HIS 25 Ca 0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1pyn h HIS 25 Cb 0.19 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1pyn h HIS 25 CO -0.09 0.63 -0.10 0.39 -1.30 0.00 0.00 177.93 177.47 1pyn n GLU 26 N -4.53 0.01 -1.67 5.26 1.02 -0.43 -4.92 120.64 115.36 1pyn n GLU 26 Ca 0.07 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.82 1pyn n GLU 26 Cb 0.05 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1pyn n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pyn n ALA 27 N -1.51 0.87 -0.99 0.62 0.00 0.02 -4.97 120.51 114.56 1pyn n ALA 27 Ca 0.07 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 1pyn n ALA 27 Cb 0.34 -2.22 0.13 0.00 0.00 0.00 0.00 19.45 17.70 1pyn n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pyn s SER 28 N -0.90 3.66 -0.12 0.00 0.01 -1.26 -5.06 113.70 110.03 1pyn s SER 28 Ca 0.69 1.96 -0.04 0.00 1.31 0.00 0.00 55.95 59.87 1pyn s SER 28 Cb -0.46 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.32 1pyn s SER 28 CO 0.52 -2.60 0.23 -0.62 0.41 0.00 0.00 173.24 171.18 1pyn s ASP 29 N -3.06 0.54 0.28 2.44 3.68 -1.26 -4.95 116.67 114.33 1pyn s ASP 29 Ca 0.64 0.46 0.04 0.00 2.13 0.00 0.00 52.55 55.82 1pyn s ASP 29 Cb -0.20 0.55 -0.06 0.00 -1.45 0.00 0.00 42.92 41.77 1pyn s ASP 29 CO 0.57 -0.25 0.03 -0.36 0.13 0.00 0.00 175.17 175.30 1pyn s PHE 30 N 2.38 1.78 0.48 -5.34 0.08 -1.26 -5.13 117.98 110.95 1pyn s PHE 30 Ca 0.02 -0.95 -0.24 0.00 0.12 0.00 0.00 56.93 55.89 1pyn s PHE 30 Cb -0.12 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.17 1pyn s PHE 30 CO -0.08 -0.02 1.31 -2.14 -0.10 0.00 0.00 175.22 174.18 1pyn s PRO 31 N -3.88 3.58 -0.33 0.24 0.02 -1.26 -4.88 135.00 128.49 1pyn s PRO 31 Ca 0.33 2.13 0.15 0.00 0.02 0.00 0.00 61.00 63.63 1pyn s PRO 31 Cb 0.07 -2.48 0.46 0.00 0.02 0.00 0.00 34.50 32.58 1pyn s PRO 31 CO 0.13 -0.80 1.05 0.00 -0.33 0.00 0.00 177.00 177.04 1pyn h ARG 33 N 2.73 0.22 -0.37 0.00 2.43 -1.93 -2.77 114.38 114.69 1pyn h ARG 33 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1pyn h ARG 33 Cb 1.19 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1pyn h ARG 33 CO 0.52 0.15 0.18 0.28 -1.51 0.00 0.00 179.97 179.59 1pyn h VAL 34 N 0.23 1.17 -0.89 0.20 2.07 -1.92 -2.67 116.25 114.43 1pyn h VAL 34 Ca 0.08 -0.47 0.14 0.00 0.82 0.00 0.00 66.70 67.28 1pyn h VAL 34 Cb 0.01 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1pyn h VAL 34 CO -0.05 0.18 0.57 0.00 0.02 0.00 0.00 177.57 178.29 1pyn h ALA 35 N 1.03 1.83 -0.00 1.67 0.00 -1.82 -1.90 119.26 120.07 1pyn h ALA 35 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pyn h ALA 35 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pyn h ALA 35 CO -0.02 -0.08 -0.20 1.63 0.00 0.00 0.00 179.25 180.59 1pyn n LYS 36 N -4.56 0.63 -1.72 0.00 4.76 -1.03 -4.66 118.16 111.57 1pyn n LYS 36 Ca 0.17 -0.29 -0.43 0.00 -2.87 0.00 0.00 58.31 54.90 1pyn n LYS 36 Cb 0.47 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 1pyn n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1pyn n LEU 37 N -0.94 4.00 -0.33 -0.35 4.77 -0.72 -4.85 117.00 118.60 1pyn n LEU 37 Ca 0.12 1.15 0.19 0.00 -0.03 0.00 0.00 56.01 57.44 1pyn n LEU 37 Cb 0.31 -1.55 0.40 0.00 -2.33 0.00 0.00 43.42 40.25 1pyn n LEU 37 CO 0.26 -0.04 1.08 -0.65 -1.33 0.00 0.00 177.39 176.71 1pyn h PRO 38 N 4.56 0.36 0.00 3.23 0.11 -1.91 0.89 132.00 139.24 1pyn h PRO 38 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pyn h PRO 38 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1pyn h PRO 38 CO 0.78 0.24 -0.02 1.57 -0.21 0.00 0.00 178.00 180.35 1pyn h LYS 39 N 0.37 0.00 -0.55 1.05 2.10 -1.95 -2.46 116.57 115.12 1pyn h LYS 39 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 1pyn h LYS 39 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1pyn h LYS 39 CO -0.58 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 176.98 1pyn n ASN 40 N -3.26 3.51 -0.26 7.07 3.02 0.30 -4.55 115.26 121.09 1pyn n ASN 40 Ca -0.02 -1.98 0.06 0.00 -0.03 0.00 0.00 54.58 52.61 1pyn n ASN 40 Cb 0.15 -0.36 0.20 0.00 -0.61 0.00 0.00 39.78 39.16 1pyn n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1pyn h LYS 41 N 4.11 0.42 0.00 3.52 3.11 -1.46 0.85 116.57 127.12 1pyn h LYS 41 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1pyn h LYS 41 Cb 0.93 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1pyn h LYS 41 CO 0.00 0.28 0.00 0.27 -2.81 0.00 0.00 179.45 177.19 1pyn n ASN 42 N -5.01 0.00 -0.83 4.20 6.94 -1.26 -3.01 115.26 116.29 1pyn n ASN 42 Ca 0.15 -0.69 0.12 0.00 -0.02 0.00 0.00 54.58 54.15 1pyn n ASN 42 Cb 0.45 -0.10 0.27 0.00 -2.36 0.00 0.00 39.78 38.04 1pyn n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1pyn n ARG 43 N -1.10 2.12 -5.00 -3.83 1.74 0.29 -4.86 116.66 106.02 1pyn n ARG 43 Ca 0.20 -1.66 -0.32 0.00 -0.77 0.00 0.00 57.85 55.30 1pyn n ARG 43 Cb 0.16 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 1pyn n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1pyn s ASN 44 N -1.78 3.60 0.06 0.55 0.01 -1.16 -4.39 114.94 111.83 1pyn s ASN 44 Ca 0.34 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.97 1pyn s ASN 44 Cb 0.20 -1.32 -0.29 0.00 0.41 0.00 0.00 41.25 40.26 1pyn s ASN 44 CO 0.30 0.20 1.10 -0.09 -1.51 0.00 0.00 177.10 177.11 1pyn h ARG 45 N 6.41 0.50 -5.54 -0.60 2.43 -1.89 -3.45 114.38 112.24 1pyn h ARG 45 Ca -0.28 -0.74 -0.57 0.00 -0.81 0.00 0.00 59.98 57.58 1pyn h ARG 45 Cb 1.21 0.26 -0.31 0.00 -0.42 0.00 0.00 29.97 30.71 1pyn h ARG 45 CO 0.51 1.34 -0.84 0.71 -1.51 0.00 0.00 179.97 180.18 1pyn s TYR 46 N -2.83 1.74 0.30 2.20 2.02 -1.26 -5.02 117.35 114.49 1pyn s TYR 46 Ca -0.08 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 1pyn s TYR 46 Cb 0.06 -1.15 0.49 0.00 -0.40 0.00 0.00 41.96 40.96 1pyn s TYR 46 CO 0.92 -0.11 1.76 -0.09 -1.57 0.00 0.00 175.55 176.46 1pyn h ARG 47 N 6.01 0.42 -0.64 -0.62 2.43 -1.98 -2.90 114.38 117.09 1pyn h ARG 47 Ca -0.35 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1pyn h ARG 47 Cb 1.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1pyn h ARG 47 CO 0.48 0.63 0.00 -0.40 -1.51 0.00 0.00 179.97 179.17 1pyn n ASP 48 N -4.14 4.04 -3.74 -3.80 5.75 -1.26 -4.73 116.55 108.66 1pyn n ASP 48 Ca -0.00 -2.44 -0.29 0.00 -0.01 0.00 0.00 54.79 52.04 1pyn n ASP 48 Cb 0.38 -0.54 -0.16 0.00 -1.03 0.00 0.00 41.12 39.77 1pyn n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pyn s VAL 49 N -1.92 0.78 0.05 2.12 1.01 -1.10 -5.05 120.40 116.29 1pyn s VAL 49 Ca 0.41 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1pyn s VAL 49 Cb 0.27 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1pyn s VAL 49 CO 0.18 -0.48 -0.07 -0.44 0.00 0.00 0.00 175.10 174.28 1pyn s SER 50 N 1.69 0.86 0.21 3.32 0.01 -1.26 -4.63 113.70 113.90 1pyn s SER 50 Ca 0.05 -0.62 -0.24 0.00 1.31 0.00 0.00 55.95 56.45 1pyn s SER 50 Cb -0.17 0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1pyn s SER 50 CO -0.19 -0.25 0.79 -2.16 0.41 0.00 0.00 173.24 171.84 1pyn s PRO 51 N -1.93 4.48 0.48 12.44 0.04 -1.26 -4.55 135.00 144.69 1pyn s PRO 51 Ca -0.07 1.10 -0.23 0.00 0.04 0.00 0.00 61.00 61.84 1pyn s PRO 51 Cb -0.08 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 1pyn s PRO 51 CO -0.01 0.47 1.21 -0.06 0.04 0.00 0.00 177.00 178.66 1pyn s PHE 52 N -1.33 2.74 0.24 0.56 0.08 -1.26 -4.61 117.98 114.39 1pyn s PHE 52 Ca 0.40 1.50 -0.06 0.00 0.12 0.00 0.00 56.93 58.88 1pyn s PHE 52 Cb -0.20 -3.48 0.27 0.00 -0.57 0.00 0.00 43.02 39.04 1pyn s PHE 52 CO 0.24 -1.84 1.89 -0.44 -0.10 0.00 0.00 175.22 174.97 1pyn h ASP 53 N 1.91 0.98 0.29 1.36 3.32 -0.88 -2.06 116.42 121.35 1pyn h ASP 53 Ca -0.50 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 1pyn h ASP 53 Cb 1.26 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1pyn h ASP 53 CO 0.59 0.68 -0.09 1.12 -1.72 0.00 0.00 179.24 179.82 1pyn h HIS 54 N 1.15 0.00 0.00 4.55 2.07 -1.91 -3.12 115.15 117.88 1pyn h HIS 54 Ca 0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.88 1pyn h HIS 54 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1pyn h HIS 54 CO -0.01 0.09 -0.02 -1.13 -3.07 0.00 0.00 177.93 173.79 1pyn n SER 55 N -3.68 2.03 -4.80 3.10 3.41 -1.07 -5.06 113.62 107.55 1pyn n SER 55 Ca -0.02 -2.58 -0.34 0.00 -0.26 0.00 0.00 58.87 55.67 1pyn n SER 55 Cb 0.21 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1pyn n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pyn s ARG 56 N -1.97 3.86 -0.05 4.33 1.70 -0.80 -0.98 118.95 125.04 1pyn s ARG 56 Ca 0.18 1.33 -0.26 0.00 -0.47 0.00 0.00 55.73 56.51 1pyn s ARG 56 Cb 0.16 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.39 1pyn s ARG 56 CO 0.02 -0.37 0.84 0.42 -1.08 0.00 0.00 175.30 175.12 1pyn s ILE 57 N -2.00 4.95 -0.19 4.99 -1.09 -0.61 -4.81 121.20 122.45 1pyn s ILE 57 Ca 0.66 1.73 -0.08 0.00 -2.23 0.00 0.00 60.65 60.74 1pyn s ILE 57 Cb -0.15 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1pyn s ILE 57 CO 0.19 0.18 0.08 -0.54 -1.23 0.00 0.00 174.94 173.63 1pyn s LYS 58 N 1.08 4.03 0.36 2.79 1.02 -1.26 -4.32 119.74 123.44 1pyn s LYS 58 Ca 0.44 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.87 1pyn s LYS 58 Cb -0.19 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1pyn s LYS 58 CO 0.21 0.30 1.09 -0.51 -0.92 0.00 0.00 175.35 175.52 1pyn s LEU 59 N 0.33 4.28 -1.34 3.17 1.43 0.11 -4.93 118.68 121.74 1pyn s LEU 59 Ca 0.05 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 1pyn s LEU 59 Cb -0.12 -3.97 0.11 0.00 0.03 0.00 0.00 46.19 42.23 1pyn s LEU 59 CO -0.01 -0.42 1.92 1.41 0.23 0.00 0.00 176.35 179.48 1pyn n HIS 60 N 0.36 3.73 -3.68 0.29 8.25 -1.26 -4.54 115.22 118.36 1pyn n HIS 60 Ca 0.03 -2.95 -0.10 0.00 -0.26 0.00 0.00 57.72 54.45 1pyn n HIS 60 Cb 0.47 -2.32 -0.10 0.00 1.12 0.00 0.00 29.99 29.17 1pyn n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1pyn s GLN 61 N 2.19 0.46 0.63 -0.41 -2.07 -1.26 -5.03 119.66 114.16 1pyn s GLN 61 Ca 0.45 0.89 0.41 0.00 -1.82 0.00 0.00 55.36 55.29 1pyn s GLN 61 Cb 0.09 0.02 2.08 0.00 -1.09 0.00 0.00 33.01 34.11 1pyn s GLN 61 CO -0.02 -0.16 2.24 0.93 -1.32 0.00 0.00 175.29 176.97 1pyn h GLU 62 N 7.13 0.00 0.00 9.60 5.08 -2.03 -3.33 114.58 131.04 1pyn h GLU 62 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1pyn h GLU 62 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pyn h GLU 62 CO 0.26 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.80 1pyn n ASP 63 N -3.08 0.00 -3.88 1.42 4.64 -1.26 -4.83 116.55 109.55 1pyn n ASP 63 Ca -0.02 0.04 -0.27 0.00 -1.38 0.00 0.00 54.79 53.16 1pyn n ASP 63 Cb 0.15 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.06 1pyn n ASP 63 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1pyn s ASN 64 N -1.82 2.57 -0.04 1.67 3.84 -1.25 -5.01 114.94 114.89 1pyn s ASN 64 Ca 0.00 -0.53 0.13 0.00 0.21 0.00 0.00 52.86 52.67 1pyn s ASN 64 Cb 0.00 -0.85 0.44 0.00 -0.55 0.00 0.00 41.25 40.29 1pyn s ASN 64 CO 0.00 -0.17 1.33 -0.90 -2.79 0.00 0.00 177.10 174.57 1pyn n ASP 65 N 4.92 2.90 -4.78 -4.21 5.75 -1.25 -4.79 116.55 115.09 1pyn n ASP 65 Ca -0.12 -2.16 -0.39 0.00 -0.01 0.00 0.00 54.79 52.11 1pyn n ASP 65 Cb 0.48 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 1pyn n ASP 65 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1pyn s TYR 66 N -1.58 3.74 -0.23 2.11 5.04 -1.26 -0.71 117.35 124.46 1pyn s TYR 66 Ca 0.32 1.27 -0.18 0.00 -2.44 0.00 0.00 57.07 56.04 1pyn s TYR 66 Cb 0.19 -2.59 0.06 0.00 0.35 0.00 0.00 41.96 39.97 1pyn s TYR 66 CO 0.18 0.44 0.60 -1.50 -1.34 0.00 0.00 175.55 173.93 1pyn s ILE 67 N -0.56 -0.00 -1.20 3.14 2.07 -1.26 -4.91 121.20 118.47 1pyn s ILE 67 Ca 0.31 0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.36 1pyn s ILE 67 Cb -0.19 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 1pyn s ILE 67 CO 0.19 0.01 1.88 -3.20 -1.91 0.00 0.00 174.94 171.91 1pyn n ASN 68 N 3.41 3.71 -3.78 4.50 2.85 -1.26 -4.58 115.26 120.11 1pyn n ASN 68 Ca -0.17 -2.78 -0.13 0.00 -0.11 0.00 0.00 54.58 51.39 1pyn n ASN 68 Cb 0.57 -1.69 -0.09 0.00 1.24 0.00 0.00 39.78 39.81 1pyn n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pyn s ALA 69 N 7.79 -0.71 0.03 5.20 0.00 -1.26 -3.07 121.76 129.73 1pyn s ALA 69 Ca 0.61 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1pyn s ALA 69 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1pyn s ALA 69 CO 0.10 -0.24 -0.14 -1.12 0.00 0.00 0.00 175.76 174.36 1pyn s SER 70 N -1.23 1.63 -0.37 0.00 0.01 0.13 -1.57 113.70 112.30 1pyn s SER 70 Ca -0.13 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.53 1pyn s SER 70 Cb -0.05 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1pyn s SER 70 CO 0.04 0.05 0.54 -0.22 0.41 0.00 0.00 173.24 174.06 1pyn s LEU 71 N -1.00 4.40 -0.36 2.44 2.96 -0.15 -0.78 118.68 126.18 1pyn s LEU 71 Ca 0.02 -0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 1pyn s LEU 71 Cb -0.07 -2.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 1pyn s LEU 71 CO 0.01 -0.55 0.42 -0.63 -1.32 0.00 0.00 176.35 174.28 1pyn s ILE 72 N 2.47 5.11 -0.35 6.68 1.09 0.19 -4.88 121.20 131.51 1pyn s ILE 72 Ca 0.19 0.01 -0.05 0.00 -1.10 0.00 0.00 60.65 59.71 1pyn s ILE 72 Cb -0.15 -3.91 0.06 0.00 -1.06 0.00 0.00 42.46 37.39 1pyn s ILE 72 CO 0.14 -0.21 0.11 -0.75 -0.10 0.00 0.00 174.94 174.13 1pyn s LYS 73 N 2.14 2.46 -0.83 2.79 2.20 -1.26 -0.96 119.74 126.27 1pyn s LYS 73 Ca 0.13 -1.35 -0.14 0.00 -0.36 0.00 0.00 55.97 54.25 1pyn s LYS 73 Cb -0.16 -3.44 0.21 0.00 -1.51 0.00 0.00 37.83 32.93 1pyn s LYS 73 CO 0.13 -0.76 0.79 -1.64 -0.36 0.00 0.00 175.35 173.51 1pyn s MET 74 N 1.32 3.60 0.13 4.03 -1.94 -0.18 -4.96 119.30 121.29 1pyn s MET 74 Ca -0.00 -2.40 -0.30 0.00 -1.71 0.00 0.00 55.69 51.28 1pyn s MET 74 Cb -0.21 -4.46 -0.09 0.00 2.01 0.00 0.00 34.83 32.08 1pyn s MET 74 CO 0.00 -1.33 1.50 1.49 -0.01 0.00 0.00 175.02 176.68 1pyn h GLU 75 N 7.87 -0.27 -0.57 2.03 4.81 -1.97 -0.27 114.58 126.21 1pyn h GLU 75 Ca 0.11 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1pyn h GLU 75 Cb 1.04 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1pyn h GLU 75 CO 0.78 -0.18 0.11 1.49 -0.73 0.00 0.00 179.01 180.48 1pyn h GLU 76 N -0.28 0.93 0.00 1.92 4.81 -1.96 -2.48 114.58 117.52 1pyn h GLU 76 Ca 0.08 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1pyn h GLU 76 Cb 0.51 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1pyn h GLU 76 CO -0.62 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 1pyn h ALA 77 N 1.01 1.00 -3.46 2.92 0.00 -1.88 -3.46 119.26 115.40 1pyn h ALA 77 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 1pyn h ALA 77 Cb 0.39 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.23 1pyn h ALA 77 CO 0.01 0.00 -0.42 0.94 0.00 0.00 0.00 179.25 179.77 1pyn n GLN 78 N -2.95 -3.86 -4.03 0.00 -0.06 -0.13 -4.94 117.38 101.41 1pyn n GLN 78 Ca -0.00 0.61 -0.12 0.00 -2.00 0.00 0.00 57.00 55.48 1pyn n GLN 78 Cb 0.24 -4.85 -0.12 0.00 -4.06 0.00 0.00 30.24 21.44 1pyn n GLN 78 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1pyn s ARG 79 N -5.46 0.37 0.05 3.69 6.06 -1.08 -4.86 118.95 117.72 1pyn s ARG 79 Ca 0.25 -0.48 0.04 0.00 -2.50 0.00 0.00 55.73 53.04 1pyn s ARG 79 Cb -0.11 -0.17 -0.03 0.00 0.06 0.00 0.00 34.95 34.71 1pyn s ARG 79 CO 0.31 0.03 -0.12 -1.12 -2.50 0.00 0.00 175.30 171.91 1pyn s SER 80 N -0.99 1.36 0.00 -2.12 0.01 -1.26 -1.01 113.70 109.68 1pyn s SER 80 Ca -0.07 -0.56 -0.05 0.00 1.31 0.00 0.00 55.95 56.58 1pyn s SER 80 Cb -0.07 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.13 1pyn s SER 80 CO -0.00 -0.10 0.08 -0.31 0.41 0.00 0.00 173.24 173.32 1pyn s TYR 81 N -1.22 0.09 -0.30 2.43 1.51 -0.14 -4.07 117.35 115.65 1pyn s TYR 81 Ca -0.04 -0.20 -0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1pyn s TYR 81 Cb -0.09 -0.08 0.02 0.00 -0.11 0.00 0.00 41.96 41.69 1pyn s TYR 81 CO 0.01 -0.23 0.08 0.42 -1.11 0.00 0.00 175.55 174.72 1pyn s ILE 82 N -1.22 3.84 -0.19 2.71 1.01 -0.22 0.53 121.20 127.66 1pyn s ILE 82 Ca -0.13 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 1pyn s ILE 82 Cb -0.07 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1pyn s ILE 82 CO 0.01 0.02 0.22 -0.76 0.00 0.00 0.00 174.94 174.42 1pyn s LEU 83 N 1.46 4.21 0.14 2.97 1.02 0.04 -0.50 118.68 128.02 1pyn s LEU 83 Ca 0.01 0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1pyn s LEU 83 Cb -0.18 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 1pyn s LEU 83 CO 0.02 0.12 0.05 0.28 0.02 0.00 0.00 176.35 176.84 1pyn s THR 84 N 0.53 0.18 0.68 5.49 -1.32 -0.11 -0.69 115.64 120.39 1pyn s THR 84 Ca 0.12 -1.92 -0.11 0.00 -1.21 0.00 0.00 61.69 58.57 1pyn s THR 84 Cb -0.12 -2.08 -0.00 0.00 -1.51 0.00 0.00 72.50 68.79 1pyn s THR 84 CO 0.02 -0.44 1.07 0.00 -2.21 0.00 0.00 174.62 173.05 1pyn s GLN 85 N -4.03 3.08 0.19 7.08 -2.07 -1.17 -3.72 119.66 119.01 1pyn s GLN 85 Ca 0.25 0.52 -0.31 0.00 -1.82 0.00 0.00 55.36 54.00 1pyn s GLN 85 Cb 0.07 -2.05 -0.09 0.00 -1.09 0.00 0.00 33.01 29.85 1pyn s GLN 85 CO 0.03 -0.88 1.46 0.20 -1.32 0.00 0.00 175.29 174.77 1pyn s GLY 86 N -4.31 2.03 0.79 2.60 0.00 -0.43 -4.86 107.32 103.14 1pyn s GLY 86 Ca 0.57 1.28 -0.14 0.00 0.00 0.00 0.00 44.72 46.43 1pyn s GLY 86 CO 0.52 2.38 1.04 -1.55 0.00 0.00 0.00 173.10 175.49 1pyn n PRO 87 N 3.20 0.24 -3.26 2.90 -0.04 -1.26 -4.76 135.00 132.02 1pyn n PRO 87 Ca 0.10 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 1pyn n PRO 87 Cb 0.40 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1pyn n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pyn s LEU 88 N -4.31 3.83 0.35 1.53 1.43 -1.26 -1.99 118.68 118.25 1pyn s LEU 88 Ca 0.72 -0.19 0.13 0.00 -1.03 0.00 0.00 54.13 53.77 1pyn s LEU 88 Cb -0.30 -2.78 1.00 0.00 0.03 0.00 0.00 46.19 44.14 1pyn s LEU 88 CO 0.52 -0.58 1.72 -0.65 0.23 0.00 0.00 176.35 177.59 1pyn h PRO 89 N 0.74 0.45 -0.02 1.29 0.11 -1.96 0.74 132.00 133.35 1pyn h PRO 89 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pyn h PRO 89 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1pyn h PRO 89 CO 0.51 0.30 -0.01 0.09 -0.21 0.00 0.00 178.00 178.69 1pyn n ASN 90 N -4.85 2.05 -0.14 -2.05 3.02 -1.26 -4.31 115.26 107.71 1pyn n ASN 90 Ca 0.28 -1.68 0.01 0.00 -0.03 0.00 0.00 54.58 53.17 1pyn n ASN 90 Cb 0.86 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.07 1pyn n ASN 90 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pyn n THR 91 N 0.60 1.02 -0.19 3.41 -2.24 0.23 -4.68 114.28 112.43 1pyn n THR 91 Ca 0.17 -1.03 -0.05 0.00 -2.27 0.00 0.00 64.05 60.87 1pyn n THR 91 Cb 0.45 0.48 0.11 0.00 -2.10 0.00 0.00 70.33 69.27 1pyn n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pyn h GLY 93 N 1.04 0.67 1.17 0.00 0.00 -1.90 -1.86 103.07 102.19 1pyn h GLY 93 Ca 0.20 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 1pyn h GLY 93 CO 0.00 0.48 -0.41 0.45 0.00 0.00 0.00 176.54 177.06 1pyn h HIS 94 N 0.56 1.08 -0.09 5.60 3.86 -1.74 -1.59 115.15 122.83 1pyn h HIS 94 Ca 0.09 -0.33 0.02 0.00 -1.16 0.00 0.00 60.37 58.98 1pyn h HIS 94 Cb 0.62 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1pyn h HIS 94 CO 0.03 1.15 -0.02 0.35 0.86 0.00 0.00 177.93 180.30 1pyn h PHE 95 N 0.73 -0.04 0.00 2.45 3.04 -0.19 -0.44 116.94 122.49 1pyn h PHE 95 Ca 0.05 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 1pyn h PHE 95 Cb 1.00 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 1pyn h PHE 95 CO 0.06 -0.03 -0.23 -1.49 -2.02 0.00 0.00 178.31 174.60 1pyn h TRP 96 N 0.01 0.00 -0.42 0.41 4.06 -1.33 -2.23 115.95 116.45 1pyn h TRP 96 Ca 0.04 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.94 1pyn h TRP 96 Cb 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1pyn h TRP 96 CO -0.14 0.23 0.04 1.49 -3.56 0.00 0.00 178.44 176.51 1pyn h GLU 97 N 0.00 0.72 0.19 0.49 4.81 -0.60 -1.44 114.58 118.75 1pyn h GLU 97 Ca -0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1pyn h GLU 97 Cb 0.82 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1pyn h GLU 97 CO 0.03 0.77 -0.11 1.98 -0.73 0.00 0.00 179.01 180.95 1pyn h MET 98 N 0.56 -0.29 -0.91 1.92 4.05 -0.75 0.13 114.93 119.65 1pyn h MET 98 Ca 0.12 0.02 0.16 0.00 -0.28 0.00 0.00 59.70 59.73 1pyn h MET 98 Cb 0.42 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.21 1pyn h MET 98 CO 0.01 -0.19 0.59 0.28 0.23 0.00 0.00 176.91 177.83 1pyn h VAL 99 N -0.30 0.79 0.01 -5.77 2.07 -1.21 0.21 116.25 112.05 1pyn h VAL 99 Ca -0.02 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1pyn h VAL 99 Cb 0.24 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1pyn h VAL 99 CO 0.02 0.12 -0.00 -0.25 0.02 0.00 0.00 177.57 177.48 1pyn h TRP 100 N 0.65 -0.01 -0.58 1.57 2.91 -0.67 -2.08 115.95 117.74 1pyn h TRP 100 Ca 0.47 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.44 1pyn h TRP 100 Cb 0.83 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.46 1pyn h TRP 100 CO -0.00 0.68 0.14 0.93 -1.03 0.00 0.00 178.44 179.15 1pyn h GLU 101 N -0.71 0.90 -0.00 2.65 5.08 -0.12 -2.22 114.58 120.16 1pyn h GLU 101 Ca -0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1pyn h GLU 101 Cb 0.69 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1pyn h GLU 101 CO 0.00 0.80 -0.01 1.04 -1.00 0.00 0.00 179.01 179.85 1pyn n GLN 102 N -4.26 1.13 -3.72 2.33 1.13 0.69 -4.92 117.38 109.75 1pyn n GLN 102 Ca 0.04 -0.28 -0.26 0.00 -1.94 0.00 0.00 57.00 54.57 1pyn n GLN 102 Cb 0.24 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.15 1pyn n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pyn n LYS 103 N -0.70 -6.79 -2.53 -1.09 5.02 -0.84 -4.12 118.16 107.12 1pyn n LYS 103 Ca 0.21 0.73 -0.38 0.00 -2.02 0.00 0.00 58.31 56.85 1pyn n LYS 103 Cb 0.19 -5.69 -0.04 0.00 -0.02 0.00 0.00 35.03 29.47 1pyn n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pyn s SER 104 N -3.42 6.98 -0.19 4.39 0.01 -0.81 0.07 113.70 120.75 1pyn s SER 104 Ca 0.56 2.11 0.16 0.00 1.31 0.00 0.00 55.95 60.09 1pyn s SER 104 Cb -0.26 -2.60 -0.24 0.00 0.21 0.00 0.00 66.02 63.12 1pyn s SER 104 CO 0.77 -0.33 0.11 -1.14 0.41 0.00 0.00 173.24 173.06 1pyn n ARG 105 N 0.45 0.68 -4.20 12.44 3.00 -1.26 -4.87 116.66 122.91 1pyn n ARG 105 Ca 0.02 0.04 -0.17 0.00 -0.00 0.00 0.00 57.85 57.74 1pyn n ARG 105 Cb 0.48 -1.55 -0.11 0.00 0.00 0.00 0.00 32.46 31.27 1pyn n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1pyn s GLY 106 N -5.54 0.93 -0.11 5.14 0.00 -1.26 -1.18 107.32 105.30 1pyn s GLY 106 Ca -0.12 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1pyn s GLY 106 CO 0.81 -1.19 -0.15 0.14 0.00 0.00 0.00 173.10 172.70 1pyn s VAL 107 N -1.84 1.53 -0.21 1.40 1.01 0.07 -1.77 120.40 120.58 1pyn s VAL 107 Ca 0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1pyn s VAL 107 Cb -0.07 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1pyn s VAL 107 CO 0.02 0.45 -0.00 -0.69 0.00 0.00 0.00 175.10 174.87 1pyn s VAL 108 N 1.03 3.82 -0.15 2.92 1.01 0.18 -0.55 120.40 128.66 1pyn s VAL 108 Ca -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1pyn s VAL 108 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1pyn s VAL 108 CO -0.03 0.41 -0.11 -0.32 0.00 0.00 0.00 175.10 175.06 1pyn s MET 109 N 1.26 3.40 -0.03 2.72 0.00 0.14 -1.66 119.30 125.13 1pyn s MET 109 Ca 0.04 -0.66 0.10 0.00 0.00 0.00 0.00 55.69 55.17 1pyn s MET 109 Cb -0.15 -2.72 0.29 0.00 0.00 0.00 0.00 34.83 32.25 1pyn s MET 109 CO 0.01 0.14 1.24 1.28 0.00 0.00 0.00 175.02 177.68 1pyn n LEU 110 N 3.77 2.91 -4.31 4.11 4.77 -0.48 0.08 117.00 127.84 1pyn n LEU 110 Ca -0.18 -2.18 -0.20 0.00 -0.03 0.00 0.00 56.01 53.42 1pyn n LEU 110 Cb 0.52 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1pyn n LEU 110 CO 0.30 0.69 -0.14 0.54 -1.33 0.00 0.00 177.39 177.45 1pyn s ASN 111 N -1.19 1.72 0.13 -1.43 4.22 -1.25 -4.75 114.94 112.38 1pyn s ASN 111 Ca 0.23 -1.71 0.06 0.00 -2.14 0.00 0.00 52.86 49.29 1pyn s ASN 111 Cb 0.14 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 43.16 1pyn s ASN 111 CO 0.12 -1.02 0.00 -0.13 -2.04 0.00 0.00 177.10 174.03 1pyn s ARG 112 N -3.56 2.49 0.34 3.55 0.52 -1.26 -4.85 118.95 116.19 1pyn s ARG 112 Ca 0.38 -0.94 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1pyn s ARG 112 Cb 0.03 -2.47 0.76 0.00 0.52 0.00 0.00 34.95 33.79 1pyn s ARG 112 CO 0.24 0.50 1.87 0.28 0.02 0.00 0.00 175.30 178.21 1pyn h VAL 113 N 2.70 0.87 -3.36 3.52 2.07 -1.94 -3.39 116.25 116.71 1pyn h VAL 113 Ca -0.48 -0.26 -0.59 0.00 0.82 0.00 0.00 66.70 66.20 1pyn h VAL 113 Cb 1.18 0.04 -0.33 0.00 -1.52 0.00 0.00 31.29 30.65 1pyn h VAL 113 CO 0.59 0.14 -0.84 -0.32 0.02 0.00 0.00 177.57 177.16 1pyn s MET 114 N -5.74 2.28 0.02 1.57 -2.45 -1.26 -0.80 119.30 112.92 1pyn s MET 114 Ca -0.10 -0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.72 1pyn s MET 114 Cb 0.22 -1.81 -0.02 0.00 1.25 0.00 0.00 34.83 34.47 1pyn s MET 114 CO 0.79 0.07 -0.00 -1.21 1.05 0.00 0.00 175.02 175.72 1pyn s GLU 115 N 0.60 0.36 -0.61 4.11 2.02 -0.56 -4.83 118.70 119.79 1pyn s GLU 115 Ca -0.15 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 1pyn s GLU 115 Cb -0.16 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.22 1pyn s GLU 115 CO 0.05 -0.07 0.09 1.63 0.02 0.00 0.00 175.26 176.98 1pyn n LYS 116 N 1.48 -2.65 -1.00 1.61 5.02 -1.26 -0.63 118.16 120.73 1pyn n LYS 116 Ca -0.23 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1pyn n LYS 116 Cb 0.55 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 1pyn n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pyn n GLY 117 N -0.71 0.53 3.18 0.72 0.00 -1.26 -5.04 105.19 102.62 1pyn n GLY 117 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1pyn n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pyn s SER 118 N -2.11 0.51 -0.04 1.61 1.04 0.20 -5.12 113.70 109.79 1pyn s SER 118 Ca 0.00 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 1pyn s SER 118 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1pyn s SER 118 CO 0.00 -0.71 1.21 -0.76 0.98 0.00 0.00 173.24 173.96 1pyn s LEU 119 N -3.10 4.29 -0.00 2.42 2.01 -1.26 -1.50 118.68 121.53 1pyn s LEU 119 Ca 0.26 1.85 0.12 0.00 0.01 0.00 0.00 54.13 56.38 1pyn s LEU 119 Cb 0.07 -3.56 -0.14 0.00 0.01 0.00 0.00 46.19 42.58 1pyn s LEU 119 CO 0.04 -0.58 0.50 0.29 1.01 0.00 0.00 176.35 177.60 1pyn n LYS 120 N 5.11 2.84 -3.59 1.70 4.76 0.02 -4.94 118.16 124.06 1pyn n LYS 120 Ca 0.11 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 1pyn n LYS 120 Cb 0.46 -1.08 -0.06 0.00 -1.84 0.00 0.00 35.03 32.51 1pyn n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pyn s ALA 122 N -0.82 3.10 -0.97 0.00 0.00 -0.84 -4.66 121.76 117.56 1pyn s ALA 122 Ca -0.01 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 1pyn s ALA 122 Cb -0.01 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1pyn s ALA 122 CO -0.00 -0.24 1.59 -1.14 0.00 0.00 0.00 175.76 175.96 1pyn s GLN 123 N -4.13 3.28 0.00 0.00 2.00 -1.26 -4.78 119.66 114.78 1pyn s GLN 123 Ca 0.58 -0.84 0.22 0.00 -2.00 0.00 0.00 55.36 53.33 1pyn s GLN 123 Cb -0.10 -5.22 0.53 0.00 0.80 0.00 0.00 33.01 29.02 1pyn s GLN 123 CO 0.33 -2.54 1.45 2.48 -0.50 0.00 0.00 175.29 176.51 1pyn n TYR 124 N 10.37 0.36 -4.14 1.67 0.18 -1.26 -4.91 117.16 119.43 1pyn n TYR 124 Ca 0.34 -0.18 -0.16 0.00 1.88 0.00 0.00 57.90 59.78 1pyn n TYR 124 Cb 0.50 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.34 1pyn n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1pyn s TRP 125 N -1.64 1.01 0.33 -3.48 -2.14 -1.26 -5.06 118.94 106.70 1pyn s TRP 125 Ca 0.36 -0.52 -0.28 0.00 2.66 0.00 0.00 56.10 58.32 1pyn s TRP 125 Cb 0.21 -0.57 -0.10 0.00 -3.10 0.00 0.00 33.47 29.91 1pyn s TRP 125 CO 0.30 -0.00 1.22 -1.25 -2.66 0.00 0.00 176.95 174.55 1pyn s PRO 126 N -1.94 4.37 0.00 3.25 0.04 -1.26 -4.95 135.00 134.51 1pyn s PRO 126 Ca -0.03 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.25 1pyn s PRO 126 Cb -0.08 -3.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.28 1pyn s PRO 126 CO 0.01 -0.10 0.87 1.04 0.04 0.00 0.00 177.00 178.86 1pyn n GLN 127 N 0.75 0.19 -4.40 4.56 6.02 -1.26 -4.64 117.38 118.60 1pyn n GLN 127 Ca 0.01 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1pyn n GLN 127 Cb 0.44 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 30.01 1pyn n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1pyn s LYS 128 N -3.14 1.21 0.27 -1.09 1.02 -1.26 -5.05 119.74 111.70 1pyn s LYS 128 Ca 0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 1pyn s LYS 128 Cb 0.15 -1.08 0.62 0.00 -0.52 0.00 0.00 37.83 37.00 1pyn s LYS 128 CO 0.86 0.02 1.64 0.93 -0.92 0.00 0.00 175.35 177.87 1pyn h GLU 129 N 6.86 0.15 0.00 1.68 3.07 -1.91 -0.07 114.58 124.37 1pyn h GLU 129 Ca -0.34 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1pyn h GLU 129 Cb 1.17 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1pyn h GLU 129 CO 0.48 0.10 0.00 -0.85 -1.40 0.00 0.00 179.01 177.34 1pyn n GLU 130 N -5.29 0.60 -3.46 2.33 0.00 -1.26 -4.17 120.64 109.38 1pyn n GLU 130 Ca 0.19 0.02 -0.31 0.00 0.00 0.00 0.00 57.16 57.06 1pyn n GLU 130 Cb 0.61 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.48 1pyn n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pyn n LYS 131 N -1.16 2.73 -1.10 3.44 4.76 -0.04 -5.08 118.16 121.71 1pyn n LYS 131 Ca 0.16 -4.61 -0.30 0.00 -2.87 0.00 0.00 58.31 50.70 1pyn n LYS 131 Cb 0.17 -2.32 0.14 0.00 -1.84 0.00 0.00 35.03 31.17 1pyn n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1pyn s GLU 132 N -2.23 1.30 0.02 1.97 1.03 -1.26 -4.62 118.70 114.92 1pyn s GLU 132 Ca 0.35 1.01 0.06 0.00 0.03 0.00 0.00 54.97 56.41 1pyn s GLU 132 Cb 0.08 -1.80 -0.03 0.00 -0.80 0.00 0.00 34.13 31.57 1pyn s GLU 132 CO -0.03 -2.26 -0.16 -1.64 -1.33 0.00 0.00 175.26 169.83 1pyn s MET 133 N -4.85 2.19 -0.08 -4.83 -1.94 0.03 -4.98 119.30 104.84 1pyn s MET 133 Ca 0.64 -0.91 0.02 0.00 -1.71 0.00 0.00 55.69 53.73 1pyn s MET 133 Cb -0.19 -2.25 0.01 0.00 2.01 0.00 0.00 34.83 34.42 1pyn s MET 133 CO 0.57 0.56 -0.13 0.42 -0.01 0.00 0.00 175.02 176.44 1pyn s ILE 134 N -0.90 1.22 -0.61 2.53 1.01 -1.26 -0.09 121.20 123.10 1pyn s ILE 134 Ca 0.14 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 1pyn s ILE 134 Cb -0.11 -1.13 0.16 0.00 0.01 0.00 0.00 42.46 41.39 1pyn s ILE 134 CO 0.05 0.38 0.54 -0.36 0.00 0.00 0.00 174.94 175.55 1pyn s PHE 135 N 0.82 3.44 0.22 3.97 0.08 0.11 -4.95 117.98 121.67 1pyn s PHE 135 Ca -0.11 -1.69 -0.09 0.00 0.12 0.00 0.00 56.93 55.16 1pyn s PHE 135 Cb -0.15 -3.71 0.23 0.00 -0.57 0.00 0.00 43.02 38.82 1pyn s PHE 135 CO 0.02 -1.00 1.85 0.93 -0.10 0.00 0.00 175.22 176.92 1pyn h GLU 136 N 8.38 0.87 -0.73 0.44 5.08 -1.96 0.98 114.58 127.63 1pyn h GLU 136 Ca -0.15 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1pyn h GLU 136 Cb 1.07 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1pyn h GLU 136 CO 0.90 0.57 0.43 0.38 -1.00 0.00 0.00 179.01 180.30 1pyn h ASP 137 N 0.89 0.68 -0.29 1.42 2.03 -1.97 -2.87 116.42 116.31 1pyn h ASP 137 Ca 0.31 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1pyn h ASP 137 Cb 0.07 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1pyn h ASP 137 CO -0.13 0.45 0.00 0.35 -1.03 0.00 0.00 179.24 178.88 1pyn n THR 138 N -4.70 0.45 -3.54 1.15 -2.24 -1.13 -5.00 114.28 99.26 1pyn n THR 138 Ca 0.09 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1pyn n THR 138 Cb 0.14 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.43 1pyn n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pyn n ASN 139 N 1.21 -3.36 -4.22 3.42 5.15 0.29 -4.95 115.26 112.81 1pyn n ASN 139 Ca 0.16 -0.79 -0.24 0.00 -0.60 0.00 0.00 54.58 53.10 1pyn n ASN 139 Cb 0.53 -4.40 -0.14 0.00 -0.53 0.00 0.00 39.78 35.24 1pyn n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pyn s LEU 140 N -6.28 2.17 -0.11 1.20 1.43 -0.93 -2.36 118.68 113.80 1pyn s LEU 140 Ca 0.19 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1pyn s LEU 140 Cb -0.04 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 1pyn s LEU 140 CO 0.79 0.12 -0.20 -0.75 0.23 0.00 0.00 176.35 176.54 1pyn s LYS 141 N -1.20 3.16 -0.13 1.70 2.20 -0.61 0.07 119.74 124.94 1pyn s LYS 141 Ca 0.06 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1pyn s LYS 141 Cb -0.09 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.83 1pyn s LYS 141 CO 0.02 0.17 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.83 1pyn s LEU 142 N 0.39 1.90 -0.07 5.43 2.96 0.87 -0.56 118.68 129.59 1pyn s LEU 142 Ca -0.15 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 1pyn s LEU 142 Cb -0.17 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.25 1pyn s LEU 142 CO 0.07 0.02 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.04 1pyn s THR 143 N 1.04 1.66 -0.06 3.68 2.01 -0.29 -0.79 115.64 122.88 1pyn s THR 143 Ca -0.04 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 1pyn s THR 143 Cb -0.15 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1pyn s THR 143 CO -0.04 0.47 1.26 -0.22 -0.69 0.00 0.00 174.62 175.39 1pyn s LEU 144 N 0.29 4.27 -0.26 4.42 2.96 -1.26 -1.06 118.68 128.04 1pyn s LEU 144 Ca -0.12 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1pyn s LEU 144 Cb -0.15 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 1pyn s LEU 144 CO 0.05 -0.64 -0.22 -0.38 -1.32 0.00 0.00 176.35 173.84 1pyn n ILE 145 N 4.74 1.49 -3.51 6.68 2.08 0.23 -4.35 119.36 126.73 1pyn n ILE 145 Ca 0.12 -0.57 -0.10 0.00 0.56 0.00 0.00 62.75 62.76 1pyn n ILE 145 Cb 0.45 -1.42 -0.03 0.00 -0.75 0.00 0.00 39.64 37.89 1pyn n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1pyn s SER 146 N -6.53 -0.41 -0.02 4.38 1.04 -1.11 -4.98 113.70 106.08 1pyn s SER 146 Ca -0.35 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1pyn s SER 146 Cb 0.09 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1pyn s SER 146 CO 0.60 -0.62 0.06 -0.70 0.98 0.00 0.00 173.24 173.57 1pyn s GLU 147 N -2.75 0.07 -0.29 4.02 2.12 -1.26 -0.59 118.70 120.02 1pyn s GLU 147 Ca 0.02 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1pyn s GLU 147 Cb -0.01 0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.50 1pyn s GLU 147 CO -0.07 -0.01 0.07 0.34 -0.54 0.00 0.00 175.26 175.05 1pyn s ASP 148 N 0.07 3.94 -0.23 -1.70 -1.08 0.11 -5.00 116.67 112.78 1pyn s ASP 148 Ca -0.00 -1.53 -0.20 0.00 -0.52 0.00 0.00 52.55 50.29 1pyn s ASP 148 Cb -0.01 -0.94 -0.02 0.00 -1.46 0.00 0.00 42.92 40.49 1pyn s ASP 148 CO -0.00 -0.38 0.63 -0.63 0.52 0.00 0.00 175.17 175.31 1pyn s ILE 149 N 1.55 5.00 0.52 4.11 1.01 -1.26 -1.26 121.20 130.87 1pyn s ILE 149 Ca 0.07 1.15 0.03 0.00 0.00 0.00 0.00 60.65 61.90 1pyn s ILE 149 Cb -0.18 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1pyn s ILE 149 CO -0.19 0.06 0.18 -0.54 0.00 0.00 0.00 174.94 174.44 1pyn s LYS 150 N 2.28 2.22 0.11 2.79 -0.14 0.23 -5.00 119.74 122.22 1pyn s LYS 150 Ca 0.27 -2.22 -0.25 0.00 -1.36 0.00 0.00 55.97 52.41 1pyn s LYS 150 Cb -0.16 -1.78 -0.10 0.00 -1.68 0.00 0.00 37.83 34.11 1pyn s LYS 150 CO 0.09 -0.46 1.68 0.66 -0.76 0.00 0.00 175.35 176.56 1pyn h SER 151 N 1.11 -0.43 -0.01 2.83 4.64 -2.03 -3.29 113.55 116.36 1pyn h SER 151 Ca -0.41 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1pyn h SER 151 Cb 1.31 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1pyn h SER 151 CO 0.67 -0.23 -0.39 0.00 -0.87 0.00 0.00 176.83 176.01 1pyn n TYR 152 N -5.28 0.00 -3.64 4.77 4.11 -1.26 -4.87 117.16 110.99 1pyn n TYR 152 Ca -0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.75 1pyn n TYR 152 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.52 1pyn n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1pyn s TYR 153 N -2.15 -0.33 -0.01 -3.48 -0.85 -1.24 -2.24 117.35 107.05 1pyn s TYR 153 Ca 0.16 0.03 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 1pyn s TYR 153 Cb 0.15 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 43.10 1pyn s TYR 153 CO 0.48 -0.94 -0.13 0.99 -1.52 0.00 0.00 175.55 174.42 1pyn s THR 154 N -3.66 1.01 -0.14 -3.49 2.01 -0.43 -0.60 115.64 110.36 1pyn s THR 154 Ca 0.07 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1pyn s THR 154 Cb -0.03 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 1pyn s THR 154 CO -0.03 0.29 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.34 1pyn s VAL 155 N -0.27 2.69 0.07 3.82 1.01 -0.39 -1.12 120.40 126.22 1pyn s VAL 155 Ca 0.04 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1pyn s VAL 155 Cb -0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1pyn s VAL 155 CO -0.00 0.53 -0.22 -0.13 0.00 0.00 0.00 175.10 175.27 1pyn s ARG 156 N 0.56 1.80 -0.20 2.72 0.52 0.10 -0.71 118.95 123.74 1pyn s ARG 156 Ca -0.10 -1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 53.91 1pyn s ARG 156 Cb -0.16 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 1pyn s ARG 156 CO 0.04 0.50 0.03 -1.14 0.02 0.00 0.00 175.30 174.75 1pyn s GLN 157 N -1.64 3.77 0.04 3.54 0.74 0.24 -0.30 119.66 126.05 1pyn s GLN 157 Ca 0.14 -0.45 0.05 0.00 0.05 0.00 0.00 55.36 55.16 1pyn s GLN 157 Cb -0.10 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.82 1pyn s GLN 157 CO 0.05 0.10 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.23 1pyn s LEU 158 N 0.82 2.16 -0.22 3.68 1.43 -0.25 -0.60 118.68 125.70 1pyn s LEU 158 Ca 0.02 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1pyn s LEU 158 Cb -0.14 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 1pyn s LEU 158 CO 0.02 0.06 0.02 -0.70 0.23 0.00 0.00 176.35 175.99 1pyn s GLU 159 N -1.09 3.62 -0.19 1.70 2.12 -0.22 0.40 118.70 125.05 1pyn s GLU 159 Ca 0.03 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 1pyn s GLU 159 Cb -0.08 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 1pyn s GLU 159 CO 0.01 -0.07 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.48 1pyn s LEU 160 N 1.24 3.25 -0.07 2.70 2.96 0.44 -1.14 118.68 128.05 1pyn s LEU 160 Ca 0.04 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 1pyn s LEU 160 Cb -0.15 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1pyn s LEU 160 CO 0.02 0.09 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.22 1pyn s GLU 161 N 0.82 2.74 -0.74 1.98 2.12 0.27 -0.63 118.70 125.26 1pyn s GLU 161 Ca 0.00 -0.86 -0.21 0.00 0.36 0.00 0.00 54.97 54.27 1pyn s GLU 161 Cb -0.14 -2.26 0.10 0.00 0.26 0.00 0.00 34.13 32.08 1pyn s GLU 161 CO 0.02 0.35 0.98 1.21 -0.54 0.00 0.00 175.26 177.28 1pyn s ASN 162 N -0.06 6.33 0.60 -1.70 3.84 0.51 -1.57 114.94 122.89 1pyn s ASN 162 Ca -0.06 -1.41 0.30 0.00 0.21 0.00 0.00 52.86 51.90 1pyn s ASN 162 Cb -0.14 -2.40 1.68 0.00 -0.55 0.00 0.00 41.25 39.84 1pyn s ASN 162 CO 0.05 -1.27 2.08 -0.07 -2.79 0.00 0.00 177.10 175.09 1pyn h LEU 163 N 10.85 0.00 -0.29 3.21 3.38 -1.75 1.50 115.31 132.22 1pyn h LEU 163 Ca -0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1pyn h LEU 163 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1pyn h LEU 163 CO 1.15 0.00 -0.07 0.74 0.09 0.00 0.00 178.44 180.34 1pyn h THR 164 N 0.00 1.28 0.00 0.22 2.02 -1.90 -3.30 112.91 111.23 1pyn h THR 164 Ca 0.09 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1pyn h THR 164 Cb 0.56 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1pyn h THR 164 CO -0.00 0.35 -0.96 0.35 0.37 0.00 0.00 175.52 175.63 1pyn n THR 165 N -4.49 0.00 -1.19 3.16 -2.24 -0.67 -4.97 114.28 103.88 1pyn n THR 165 Ca -0.03 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1pyn n THR 165 Cb 0.32 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1pyn n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pyn n GLN 166 N -1.51 -0.86 -2.76 -0.78 6.02 0.51 -5.00 117.38 113.00 1pyn n GLN 166 Ca 0.02 0.63 -0.33 0.00 -0.01 0.00 0.00 57.00 57.31 1pyn n GLN 166 Cb 0.29 -4.51 -0.06 0.00 1.02 0.00 0.00 30.24 26.98 1pyn n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1pyn s GLU 167 N -2.15 4.14 0.09 -1.09 2.12 -1.16 -4.83 118.70 115.82 1pyn s GLU 167 Ca 0.00 1.18 0.03 0.00 0.36 0.00 0.00 54.97 56.54 1pyn s GLU 167 Cb 0.00 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 1pyn s GLU 167 CO 0.00 -0.11 -0.09 0.95 -0.54 0.00 0.00 175.26 175.46 1pyn s THR 168 N -2.12 0.84 -0.02 -1.70 -4.23 -1.26 -0.36 115.64 106.79 1pyn s THR 168 Ca 0.63 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1pyn s THR 168 Cb -0.11 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.45 1pyn s THR 168 CO 0.15 -0.58 0.17 -0.13 -0.54 0.00 0.00 174.62 173.70 1pyn s ARG 169 N -2.75 0.42 -0.10 3.99 0.52 0.20 -4.98 118.95 116.24 1pyn s ARG 169 Ca 0.04 -0.16 -0.20 0.00 -0.52 0.00 0.00 55.73 54.89 1pyn s ARG 169 Cb -0.03 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1pyn s ARG 169 CO -0.01 -0.09 0.56 -2.00 0.02 0.00 0.00 175.30 173.78 1pyn s GLU 170 N -0.90 4.37 -0.09 3.54 2.12 -1.26 -0.42 118.70 126.06 1pyn s GLU 170 Ca -0.10 0.61 0.05 0.00 0.36 0.00 0.00 54.97 55.89 1pyn s GLU 170 Cb -0.05 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1pyn s GLU 170 CO 0.01 0.11 -0.24 0.42 -0.54 0.00 0.00 175.26 175.03 1pyn s ILE 171 N 0.73 2.14 -0.18 -3.70 -1.09 0.16 -4.89 121.20 114.36 1pyn s ILE 171 Ca 0.30 -1.01 -0.15 0.00 -2.23 0.00 0.00 60.65 57.57 1pyn s ILE 171 Cb -0.16 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 1pyn s ILE 171 CO 0.13 0.56 0.34 -0.76 -1.23 0.00 0.00 174.94 173.98 1pyn s LEU 172 N 0.14 4.19 -0.36 2.97 1.43 -0.32 -1.09 118.68 125.63 1pyn s LEU 172 Ca -0.12 0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 1pyn s LEU 172 Cb -0.16 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.65 1pyn s LEU 172 CO 0.07 0.01 0.19 -2.28 0.23 0.00 0.00 176.35 174.57 1pyn s HIS 173 N 0.91 3.23 -0.33 0.29 2.46 0.59 -0.75 115.29 121.69 1pyn s HIS 173 Ca 0.17 -0.93 -0.11 0.00 0.47 0.00 0.00 55.06 54.67 1pyn s HIS 173 Cb -0.14 -2.41 -0.00 0.00 -0.13 0.00 0.00 32.58 29.89 1pyn s HIS 173 CO 0.06 -0.62 0.19 -0.06 -2.47 0.00 0.00 174.74 171.84 1pyn s PHE 174 N 1.55 3.20 -0.30 3.88 0.08 0.29 0.03 117.98 126.71 1pyn s PHE 174 Ca 0.02 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1pyn s PHE 174 Cb -0.19 -2.41 0.07 0.00 -0.57 0.00 0.00 43.02 39.92 1pyn s PHE 174 CO 0.06 -0.46 -0.01 -1.58 -0.10 0.00 0.00 175.22 173.13 1pyn s HIS 175 N 1.64 3.40 -0.28 0.36 5.65 -0.27 0.26 115.29 126.04 1pyn s HIS 175 Ca 0.05 -2.32 -0.28 0.00 0.25 0.00 0.00 55.06 52.76 1pyn s HIS 175 Cb -0.17 -2.32 0.01 0.00 -1.18 0.00 0.00 32.58 28.92 1pyn s HIS 175 CO 0.08 -0.88 1.01 -0.47 -0.65 0.00 0.00 174.74 173.83 1pyn s TYR 176 N 1.12 3.23 -1.41 3.88 6.14 0.11 -1.31 117.35 129.12 1pyn s TYR 176 Ca -0.02 1.25 0.18 0.00 0.64 0.00 0.00 57.07 59.12 1pyn s TYR 176 Cb -0.20 -3.45 -0.07 0.00 0.42 0.00 0.00 41.96 38.67 1pyn s TYR 176 CO -0.04 -0.62 0.88 0.25 0.64 0.00 0.00 175.55 176.66 1pyn n THR 177 N 5.60 0.00 -1.14 4.34 -2.24 -0.95 -3.94 114.28 115.95 1pyn n THR 177 Ca 0.11 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1pyn n THR 177 Cb 0.47 1.15 0.26 0.00 -2.10 0.00 0.00 70.33 70.10 1pyn n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pyn n THR 178 N -0.53 2.62 -2.57 4.28 -2.24 -1.23 -4.92 114.28 109.70 1pyn n THR 178 Ca 0.06 -2.02 -0.42 0.00 -2.27 0.00 0.00 64.05 59.40 1pyn n THR 178 Cb 0.35 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1pyn n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pyn s TRP 179 N -3.02 3.44 0.65 4.78 -0.11 -1.26 -4.98 118.94 118.43 1pyn s TRP 179 Ca 0.48 1.44 -0.18 0.00 1.22 0.00 0.00 56.10 59.07 1pyn s TRP 179 Cb 0.40 -3.29 -0.02 0.00 -1.50 0.00 0.00 33.47 29.06 1pyn s TRP 179 CO 0.08 -0.72 1.13 -0.35 -4.62 0.00 0.00 176.95 172.47 1pyn n PRO 180 N 4.56 0.93 0.01 5.86 -0.04 -1.26 -4.91 135.00 140.16 1pyn n PRO 180 Ca 0.09 0.37 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 1pyn n PRO 180 Cb 0.48 -2.36 0.32 0.00 -0.04 0.00 0.00 33.50 31.90 1pyn n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1pyn h ASP 181 N 0.37 0.46 -4.29 3.54 3.45 -2.00 -3.43 116.42 114.53 1pyn h ASP 181 Ca -0.50 -0.08 -0.50 0.00 0.43 0.00 0.00 57.03 56.39 1pyn h ASP 181 Cb 1.35 -0.12 -0.26 0.00 -0.56 0.00 0.00 39.33 39.74 1pyn h ASP 181 CO 0.51 0.52 -0.81 -0.36 -1.57 0.00 0.00 179.24 177.53 1pyn s PHE 182 N -5.00 1.44 0.00 4.55 0.40 -1.26 -4.92 117.98 113.18 1pyn s PHE 182 Ca -0.07 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1pyn s PHE 182 Cb 0.16 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.82 1pyn s PHE 182 CO 0.76 0.04 0.00 0.41 0.70 0.00 0.00 175.22 177.13 1pyn n GLY 183 N 2.04 -0.74 3.61 4.36 0.00 -1.26 -4.93 105.19 108.26 1pyn n GLY 183 Ca -0.17 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 1pyn n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyn s VAL 184 N 0.00 2.24 0.58 1.61 -7.23 -1.26 -4.72 120.40 111.62 1pyn s VAL 184 Ca 0.00 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 57.94 1pyn s VAL 184 Cb 0.00 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1pyn s VAL 184 CO 0.00 -0.11 1.12 -2.65 -0.31 0.00 0.00 175.10 173.15 1pyn n PRO 185 N -0.93 1.18 -0.07 4.82 -0.02 -1.26 -4.88 135.00 133.83 1pyn n PRO 185 Ca -0.04 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1pyn n PRO 185 Cb 0.65 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1pyn n PRO 185 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1pyn h GLU 186 N 0.84 0.34 -5.09 -0.52 9.09 -1.99 -3.43 114.58 113.81 1pyn h GLU 186 Ca -0.49 -0.06 -0.50 0.00 0.05 0.00 0.00 59.36 58.35 1pyn h GLU 186 Cb 1.34 -0.05 -0.31 0.00 -1.65 0.00 0.00 28.75 28.08 1pyn h GLU 186 CO 0.53 0.40 -0.82 0.45 0.05 0.00 0.00 179.01 179.62 1pyn s SER 187 N -5.65 1.76 0.00 3.06 0.15 -1.26 -5.01 113.70 106.75 1pyn s SER 187 Ca -0.14 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 56.38 1pyn s SER 187 Cb 0.08 -0.41 0.73 0.00 -1.71 0.00 0.00 66.02 64.70 1pyn s SER 187 CO 0.71 0.13 1.42 -0.81 1.20 0.00 0.00 173.24 175.90 1pyn n PRO 188 N 3.09 0.18 -0.16 5.44 -0.04 -1.26 -4.14 135.00 138.11 1pyn n PRO 188 Ca -0.17 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1pyn n PRO 188 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1pyn n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyn h ALA 189 N 2.67 -0.39 -0.40 0.55 0.00 -1.96 0.26 119.26 119.99 1pyn h ALA 189 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1pyn h ALA 189 Cb 0.16 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1pyn h ALA 189 CO 0.00 -0.58 -0.09 0.66 0.00 0.00 0.00 179.25 179.24 1pyn h SER 190 N -0.08 0.67 -0.70 0.00 4.64 -2.00 -1.84 113.55 114.23 1pyn h SER 190 Ca 0.07 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1pyn h SER 190 Cb 0.25 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1pyn h SER 190 CO -0.42 0.80 0.38 0.15 -0.87 0.00 0.00 176.83 176.86 1pyn h PHE 191 N 0.63 0.97 -0.17 4.77 3.57 -1.63 -1.22 116.94 123.86 1pyn h PHE 191 Ca 0.11 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1pyn h PHE 191 Cb 0.53 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1pyn h PHE 191 CO 0.02 0.70 0.02 -0.07 -2.23 0.00 0.00 178.31 176.75 1pyn h LEU 192 N 0.97 0.29 -1.27 0.59 3.38 -0.21 -1.57 115.31 117.48 1pyn h LEU 192 Ca 0.25 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1pyn h LEU 192 Cb 0.05 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1pyn h LEU 192 CO -0.04 0.49 0.52 0.78 0.09 0.00 0.00 178.44 180.29 1pyn h ASN 193 N 0.07 0.79 -0.24 -0.43 4.21 -1.15 0.06 115.58 118.88 1pyn h ASN 193 Ca 0.05 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 1pyn h ASN 193 Cb 0.34 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 1pyn h ASN 193 CO 0.01 0.52 0.13 0.15 -1.29 0.00 0.00 177.43 176.95 1pyn h PHE 194 N 0.90 0.33 -0.26 1.19 3.57 -0.96 -0.44 116.94 121.28 1pyn h PHE 194 Ca 0.33 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.86 1pyn h PHE 194 Cb 0.17 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1pyn h PHE 194 CO -0.00 0.29 0.06 1.25 -2.23 0.00 0.00 178.31 177.68 1pyn h LEU 195 N 0.28 0.03 -1.59 0.59 5.85 -0.19 -1.47 115.31 118.81 1pyn h LEU 195 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1pyn h LEU 195 Cb 0.07 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1pyn h LEU 195 CO -0.01 0.05 0.30 -0.26 -0.34 0.00 0.00 178.44 178.18 1pyn h PHE 196 N 0.16 0.51 -0.21 1.25 -1.00 -0.73 0.99 116.94 117.91 1pyn h PHE 196 Ca 0.12 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.80 1pyn h PHE 196 Cb 0.11 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1pyn h PHE 196 CO -0.15 0.31 -0.32 0.87 -1.61 0.00 0.00 178.31 177.41 1pyn h LYS 197 N 0.54 0.44 -0.26 1.51 6.56 -0.18 0.47 116.57 125.65 1pyn h LYS 197 Ca 0.18 -0.19 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 1pyn h LYS 197 Cb 0.04 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1pyn h LYS 197 CO -0.04 0.71 -0.28 0.28 -2.06 0.00 0.00 179.45 178.05 1pyn h VAL 198 N 0.38 1.31 -0.31 0.50 2.07 -0.08 -2.56 116.25 117.55 1pyn h VAL 198 Ca 0.05 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1pyn h VAL 198 Cb 0.75 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1pyn h VAL 198 CO 0.06 0.46 0.13 0.03 0.02 0.00 0.00 177.57 178.27 1pyn h ARG 199 N 0.38 0.28 -0.50 1.57 3.08 -0.48 -2.51 114.38 116.19 1pyn h ARG 199 Ca 0.04 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.13 1pyn h ARG 199 Cb 0.85 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1pyn h ARG 199 CO 0.07 0.18 0.34 0.93 -1.07 0.00 0.00 179.97 180.42 1pyn h GLU 200 N 0.29 0.45 0.00 0.04 5.08 -0.83 -1.95 114.58 117.65 1pyn h GLU 200 Ca 0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1pyn h GLU 200 Cb 0.08 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pyn h GLU 200 CO -0.12 0.29 -0.06 0.66 -1.00 0.00 0.00 179.01 178.79 1pyn h SER 201 N 0.46 0.00 0.00 1.42 4.64 -1.02 -3.46 113.55 115.59 1pyn h SER 201 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1pyn h SER 201 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1pyn h SER 201 CO -0.06 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1pyn n GLY 202 N -0.41 0.74 0.33 -0.77 0.00 -0.73 -4.94 105.19 99.40 1pyn n GLY 202 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.22 1pyn n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pyn h SER 203 N 0.00 0.00 0.11 1.61 0.02 -1.78 -1.49 113.55 112.01 1pyn h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pyn h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pyn h SER 203 CO 0.00 0.00 -0.62 0.18 -1.14 0.00 0.00 176.83 175.25 1pyn n LEU 204 N -3.25 1.28 -4.78 5.07 4.77 -1.26 -4.08 117.00 114.75 1pyn n LEU 204 Ca -0.03 -0.47 -0.36 0.00 -0.03 0.00 0.00 56.01 55.12 1pyn n LEU 204 Cb 0.08 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1pyn n LEU 204 CO 0.21 0.27 0.73 -0.44 -1.33 0.00 0.00 177.39 176.83 1pyn s SER 205 N -2.74 6.73 0.61 -1.43 0.01 -0.56 -4.82 113.70 111.50 1pyn s SER 205 Ca 0.15 2.02 0.32 0.00 1.31 0.00 0.00 55.95 59.75 1pyn s SER 205 Cb 0.17 -2.58 1.75 0.00 0.21 0.00 0.00 66.02 65.57 1pyn s SER 205 CO 0.69 -0.51 1.98 1.55 0.41 0.00 0.00 173.24 177.35 1pyn h PRO 206 N 2.40 0.00 0.00 12.44 0.13 -1.89 -1.96 132.00 143.13 1pyn h PRO 206 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pyn h PRO 206 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pyn h PRO 206 CO 0.62 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 1pyn n GLU 207 N -2.82 0.15 -4.45 0.86 0.00 -1.26 -4.75 120.64 108.37 1pyn n GLU 207 Ca -0.02 0.13 -0.26 0.00 0.00 0.00 0.00 57.16 57.01 1pyn n GLU 207 Cb 0.26 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.10 1pyn n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1pyn s HIS 208 N -2.78 2.49 1.10 -1.84 3.76 -0.74 -5.12 115.29 112.17 1pyn s HIS 208 Ca 0.14 -0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 1pyn s HIS 208 Cb 0.13 -1.53 0.24 0.00 1.11 0.00 0.00 32.58 32.53 1pyn s HIS 208 CO 0.32 0.49 1.08 0.20 -0.85 0.00 0.00 174.74 175.99 1pyn s GLY 209 N -3.69 1.55 0.35 -2.22 0.00 0.11 -4.91 107.32 98.51 1pyn s GLY 209 Ca 0.34 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 1pyn s GLY 209 CO 0.18 0.20 1.28 2.56 0.00 0.00 0.00 173.10 177.33 1pyn s PRO 210 N -5.02 4.29 0.47 2.90 0.04 -1.26 -4.36 135.00 132.06 1pyn s PRO 210 Ca 0.67 2.15 -0.24 0.00 0.04 0.00 0.00 61.00 63.63 1pyn s PRO 210 Cb -0.17 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.30 1pyn s PRO 210 CO 0.58 -0.22 1.33 0.54 0.04 0.00 0.00 177.00 179.26 1pyn s VAL 211 N -1.18 2.40 -0.22 -0.36 0.11 -1.26 -4.51 120.40 115.38 1pyn s VAL 211 Ca 0.51 0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 59.76 1pyn s VAL 211 Cb -0.38 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 1pyn s VAL 211 CO 0.51 0.02 0.27 -0.69 -3.33 0.00 0.00 175.10 171.88 1pyn s VAL 212 N -1.31 5.29 -0.01 2.04 1.01 -0.73 -1.06 120.40 125.63 1pyn s VAL 212 Ca 0.64 0.43 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1pyn s VAL 212 Cb -0.39 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1pyn s VAL 212 CO 0.48 0.31 -0.24 -0.69 0.00 0.00 0.00 175.10 174.96 1pyn s VAL 213 N 1.11 1.86 -0.01 2.92 1.01 0.34 0.47 120.40 128.12 1pyn s VAL 213 Ca 0.13 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1pyn s VAL 213 Cb -0.14 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1pyn s VAL 213 CO 0.06 0.50 0.72 -1.38 0.00 0.00 0.00 175.10 175.00 1pyn s HIS 214 N -0.58 -0.57 0.00 5.22 -3.43 -0.66 -0.94 115.29 114.34 1pyn s HIS 214 Ca 0.09 0.79 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 1pyn s HIS 214 Cb -0.09 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1pyn s HIS 214 CO -0.01 -0.63 0.00 0.00 -2.00 0.00 0.00 174.74 172.10 1pyn n SER 216 N 0.00 1.90 0.03 0.00 2.88 -1.26 -2.75 113.62 114.42 1pyn n SER 216 Ca 0.00 0.41 0.11 0.00 -1.33 0.00 0.00 58.87 58.06 1pyn n SER 216 Cb 0.00 -0.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 1pyn n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pyn n ALA 217 N -3.85 2.97 -2.81 -1.46 0.00 -1.26 -1.32 120.51 112.78 1pyn n ALA 217 Ca -0.35 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.60 1pyn n ALA 217 Cb 0.68 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.24 1pyn n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyn n GLY 218 N 1.28 0.40 0.00 0.00 0.00 -1.24 -4.10 105.19 101.51 1pyn n GLY 218 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1pyn n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pyn n ILE 219 N -3.44 0.00 0.00 -0.61 -5.35 -1.26 -4.46 119.36 104.24 1pyn n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1pyn n ILE 219 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1pyn n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pyn n GLY 220 N 0.39 1.06 0.28 3.28 0.00 -1.26 -0.72 105.19 108.22 1pyn n GLY 220 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1pyn n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pyn h ARG 221 N 0.00 0.95 -0.47 1.61 3.08 -1.97 -1.10 114.38 116.48 1pyn h ARG 221 Ca 0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1pyn h ARG 221 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1pyn h ARG 221 CO 0.00 0.71 0.20 0.77 -1.07 0.00 0.00 179.97 180.58 1pyn h SER 222 N 0.94 0.60 -0.19 7.04 0.02 -1.89 -1.63 113.55 118.44 1pyn h SER 222 Ca 0.24 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1pyn h SER 222 Cb 0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1pyn h SER 222 CO -0.04 0.54 0.09 1.23 -1.14 0.00 0.00 176.83 177.51 1pyn h GLY 223 N 0.81 0.30 0.57 -3.77 0.00 -1.19 -2.45 103.07 97.34 1pyn h GLY 223 Ca 0.16 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.44 1pyn h GLY 223 CO -0.02 0.15 0.59 -0.84 0.00 0.00 0.00 176.54 176.42 1pyn h THR 224 N 0.17 0.97 0.18 4.70 2.02 -0.55 0.11 112.91 120.51 1pyn h THR 224 Ca 0.06 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1pyn h THR 224 Cb 0.14 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1pyn h THR 224 CO -0.01 0.18 -0.09 0.15 0.37 0.00 0.00 175.52 176.12 1pyn h PHE 225 N 0.99 -0.23 -0.23 3.16 3.57 -1.05 -2.31 116.94 120.83 1pyn h PHE 225 Ca 0.45 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.76 1pyn h PHE 225 Cb 0.35 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1pyn h PHE 225 CO -0.02 -0.04 -0.56 0.00 -2.23 0.00 0.00 178.31 175.46 1pyn h LEU 227 N 0.55 0.49 -0.32 0.00 5.85 -1.01 -0.92 115.31 119.94 1pyn h LEU 227 Ca 0.01 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1pyn h LEU 227 Cb 1.14 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1pyn h LEU 227 CO 0.12 0.44 -0.00 0.00 -0.34 0.00 0.00 178.44 178.65 1pyn h ALA 228 N 1.07 0.43 -0.23 1.25 0.00 -1.43 -1.91 119.26 118.45 1pyn h ALA 228 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pyn h ALA 228 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pyn h ALA 228 CO -0.02 0.19 0.15 0.22 0.00 0.00 0.00 179.25 179.79 1pyn h ASP 229 N 0.37 0.26 -0.20 0.00 3.58 -1.24 -1.68 116.42 117.51 1pyn h ASP 229 Ca 0.09 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1pyn h ASP 229 Cb 0.45 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1pyn h ASP 229 CO 0.02 0.20 0.08 0.74 -2.88 0.00 0.00 179.24 177.40 1pyn h THR 230 N 0.30 1.17 -0.63 2.25 2.02 -1.16 -1.50 112.91 115.35 1pyn h THR 230 Ca 0.08 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.79 1pyn h THR 230 Cb -0.02 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1pyn h THR 230 CO -0.02 0.17 0.36 0.00 0.37 0.00 0.00 175.52 176.40 1pyn h LEU 232 N 0.67 0.28 -1.05 0.00 3.38 -1.23 -1.17 115.31 116.18 1pyn h LEU 232 Ca 0.28 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1pyn h LEU 232 Cb 0.14 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1pyn h LEU 232 CO -0.16 0.32 0.64 0.25 0.09 0.00 0.00 178.44 179.57 1pyn h LEU 233 N 0.22 1.05 -0.28 1.67 5.85 -0.54 -1.88 115.31 121.40 1pyn h LEU 233 Ca 0.07 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1pyn h LEU 233 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1pyn h LEU 233 CO -0.01 0.72 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.66 1pyn h LEU 234 N 1.22 0.55 -2.83 2.25 3.38 -0.39 -1.64 115.31 117.85 1pyn h LEU 234 Ca 0.39 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pyn h LEU 234 Cb 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1pyn h LEU 234 CO -0.12 0.79 0.00 0.24 0.09 0.00 0.00 178.44 179.44 1pyn h MET 235 N 0.29 0.00 0.03 1.13 2.86 -0.70 0.57 114.93 119.10 1pyn h MET 235 Ca 0.07 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.46 1pyn h MET 235 Cb 0.56 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1pyn h MET 235 CO 0.03 0.00 -1.27 -0.44 1.06 0.00 0.00 176.91 176.29 1pyn h ASP 236 N 0.00 0.09 0.00 1.22 5.19 -0.77 -3.40 116.42 118.75 1pyn h ASP 236 Ca 0.00 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1pyn h ASP 236 Cb 0.00 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1pyn h ASP 236 CO -0.00 1.09 -0.66 0.50 -3.12 0.00 0.00 179.24 177.05 1pyn h LYS 237 N 0.01 0.00 -6.98 3.56 3.64 -0.04 -3.48 116.57 113.28 1pyn h LYS 237 Ca -0.12 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.70 1pyn h LYS 237 Cb 1.88 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 33.86 1pyn h LYS 237 CO 0.13 0.81 0.39 0.54 -2.27 0.00 0.00 179.45 179.05 1pyn n ARG 238 N -4.54 1.18 0.25 1.90 1.74 -0.20 -4.90 116.66 112.08 1pyn n ARG 238 Ca -0.20 0.45 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1pyn n ARG 238 Cb 0.51 -2.41 0.61 0.00 -1.02 0.00 0.00 32.46 30.16 1pyn n ARG 238 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1pyn h LYS 239 N 0.76 0.00 -2.91 5.56 1.57 -1.92 -3.33 116.57 116.30 1pyn h LYS 239 Ca -0.50 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.67 1pyn h LYS 239 Cb 1.34 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.25 1pyn h LYS 239 CO 0.53 0.16 -0.74 0.34 -0.57 0.00 0.00 179.45 179.17 1pyn s ASP 240 N -6.11 3.51 0.60 0.86 2.15 -1.26 -4.98 116.67 111.43 1pyn s ASP 240 Ca -0.01 -2.95 0.29 0.00 0.43 0.00 0.00 52.55 50.31 1pyn s ASP 240 Cb 0.11 -1.06 1.48 0.00 -0.30 0.00 0.00 42.92 43.16 1pyn s ASP 240 CO 0.60 -0.21 1.89 1.55 -0.17 0.00 0.00 175.17 178.83 1pyn h PRO 241 N 6.27 0.00 0.00 4.34 0.13 -1.77 0.19 132.00 141.17 1pyn h PRO 241 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1pyn h PRO 241 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1pyn h PRO 241 CO 0.51 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.15 1pyn n SER 242 N -3.61 0.00 -0.04 1.44 3.41 -1.26 -2.81 113.62 110.75 1pyn n SER 242 Ca 0.07 0.12 0.14 0.00 -0.26 0.00 0.00 58.87 58.94 1pyn n SER 242 Cb 0.64 -0.35 0.53 0.00 -0.26 0.00 0.00 64.21 64.77 1pyn n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pyn n SER 243 N -1.35 0.28 -4.60 4.04 3.41 0.06 -4.11 113.62 111.35 1pyn n SER 243 Ca 0.09 -0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.20 1pyn n SER 243 Cb 0.19 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1pyn n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pyn s VAL 244 N -2.81 3.68 -0.45 -3.33 1.01 -1.13 -4.96 120.40 112.42 1pyn s VAL 244 Ca 0.19 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 62.72 1pyn s VAL 244 Cb 0.19 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1pyn s VAL 244 CO 0.55 -0.53 0.36 -0.62 0.00 0.00 0.00 175.10 174.86 1pyn s ASP 245 N 4.96 6.13 0.38 3.32 2.15 -1.26 -4.92 116.67 127.44 1pyn s ASP 245 Ca 0.71 -1.14 0.09 0.00 0.43 0.00 0.00 52.55 52.64 1pyn s ASP 245 Cb -0.19 -2.17 0.85 0.00 -0.30 0.00 0.00 42.92 41.10 1pyn s ASP 245 CO 0.33 -0.57 1.95 -0.29 -0.17 0.00 0.00 175.17 176.42 1pyn h ILE 246 N 5.70 0.95 -0.39 4.11 2.10 -1.99 -0.47 117.51 127.51 1pyn h ILE 246 Ca -0.28 -0.22 -0.09 0.00 1.08 0.00 0.00 64.86 65.36 1pyn h ILE 246 Cb 1.11 0.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.09 1pyn h ILE 246 CO 0.82 0.12 -0.12 0.11 -1.08 0.00 0.00 178.15 177.99 1pyn h LYS 247 N 0.63 0.70 0.04 2.19 1.57 -1.99 -0.53 116.57 119.18 1pyn h LYS 247 Ca 0.33 -0.23 -0.23 0.00 -1.87 0.00 0.00 60.65 58.65 1pyn h LYS 247 Cb 0.43 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1pyn h LYS 247 CO -0.11 0.80 -1.01 1.57 -0.57 0.00 0.00 179.45 180.12 1pyn h LYS 248 N 0.64 0.29 -0.47 3.15 2.10 -1.57 -2.52 116.57 118.18 1pyn h LYS 248 Ca 0.11 -0.36 -0.06 0.00 -2.00 0.00 0.00 60.65 58.34 1pyn h LYS 248 Cb 0.57 0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1pyn h LYS 248 CO 0.04 1.09 0.05 0.28 -2.00 0.00 0.00 179.45 178.90 1pyn h VAL 249 N 0.14 1.25 -0.76 0.07 2.07 -0.95 -1.23 116.25 116.84 1pyn h VAL 249 Ca -0.08 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1pyn h VAL 249 Cb 1.68 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1pyn h VAL 249 CO 0.16 0.34 0.50 0.25 0.02 0.00 0.00 177.57 178.84 1pyn h LEU 250 N 0.65 0.84 -1.04 2.57 5.85 -1.09 -1.32 115.31 121.76 1pyn h LEU 250 Ca 0.14 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1pyn h LEU 250 Cb 0.43 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1pyn h LEU 250 CO 0.01 0.60 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.44 1pyn h LEU 251 N 1.00 0.43 -0.62 2.25 3.38 -1.11 -0.79 115.31 119.85 1pyn h LEU 251 Ca 0.29 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1pyn h LEU 251 Cb -0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1pyn h LEU 251 CO -0.08 0.65 0.02 -0.08 0.09 0.00 0.00 178.44 179.04 1pyn h GLU 252 N 0.40 1.09 -0.55 1.13 4.57 -0.48 -2.89 114.58 117.84 1pyn h GLU 252 Ca 0.07 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 57.81 1pyn h GLU 252 Cb 0.59 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1pyn h GLU 252 CO 0.04 1.05 -0.06 0.52 -1.18 0.00 0.00 179.01 179.38 1pyn h MET 253 N 0.99 1.00 0.00 1.92 2.86 -0.77 -2.61 114.93 118.32 1pyn h MET 253 Ca 0.18 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1pyn h MET 253 Cb 0.54 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1pyn h MET 253 CO 0.03 1.01 0.00 0.54 1.06 0.00 0.00 176.91 179.55 1pyn n ARG 254 N -4.16 0.11 0.23 1.72 1.74 -0.35 -0.85 116.66 115.11 1pyn n ARG 254 Ca 0.02 0.21 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 1pyn n ARG 254 Cb 0.37 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.72 1pyn n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1pyn h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.41 -3.29 116.57 119.00 1pyn h LYS 255 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1pyn h LYS 255 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1pyn h LYS 255 CO 0.00 0.00 -1.81 1.19 -0.57 0.00 0.00 179.45 178.26 1pyn n PHE 256 N -3.02 0.00 -3.65 -1.35 3.72 -0.03 -4.96 117.46 108.18 1pyn n PHE 256 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 1pyn n PHE 256 Cb 0.42 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 1pyn n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1pyn s ARG 257 N -3.02 0.70 0.65 -1.08 3.52 -1.18 -4.54 118.95 113.99 1pyn s ARG 257 Ca -0.06 1.03 -0.15 0.00 -0.13 0.00 0.00 55.73 56.41 1pyn s ARG 257 Cb 0.10 0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.71 1pyn s ARG 257 CO 0.68 -0.12 1.10 0.00 -0.81 0.00 0.00 175.30 176.15 1pyn s MET 258 N 1.00 2.88 -1.87 5.12 0.23 -1.26 -4.19 119.30 121.21 1pyn s MET 258 Ca -0.05 1.37 0.00 0.00 -1.03 0.00 0.00 55.69 55.98 1pyn s MET 258 Cb -0.05 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.29 1pyn s MET 258 CO -0.09 -1.19 0.00 0.41 -2.03 0.00 0.00 175.02 172.12 1pyn n GLY 259 N -0.57 1.10 3.70 3.16 0.00 -1.26 -4.88 105.19 106.44 1pyn n GLY 259 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pyn n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyn s LEU 260 N -4.91 4.38 -0.01 0.99 1.43 -1.25 -3.86 118.68 115.45 1pyn s LEU 260 Ca 0.00 2.67 -0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1pyn s LEU 260 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1pyn s LEU 260 CO 0.00 -0.93 0.01 -0.38 0.23 0.00 0.00 176.35 175.28 1pyn n ILE 261 N 4.45 -3.17 0.84 -0.59 2.08 0.10 -4.97 119.36 118.09 1pyn n ILE 261 Ca 0.16 0.11 0.13 0.00 0.56 0.00 0.00 62.75 63.71 1pyn n ILE 261 Cb 0.38 -3.75 0.40 0.00 -0.75 0.00 0.00 39.64 35.92 1pyn n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pyn n GLN 262 N 0.06 0.11 -3.85 0.38 1.13 -1.25 -4.95 117.38 109.01 1pyn n GLN 262 Ca -0.01 0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 55.01 1pyn n GLN 262 Cb 0.02 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 28.71 1pyn n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1pyn s THR 263 N -3.05 0.07 0.40 5.09 -4.23 -1.26 -5.01 115.64 107.65 1pyn s THR 263 Ca 0.11 -1.12 0.15 0.00 -1.18 0.00 0.00 61.69 59.65 1pyn s THR 263 Cb 0.16 -1.61 0.15 0.00 1.34 0.00 0.00 72.50 72.54 1pyn s THR 263 CO 0.62 -0.33 1.92 0.00 -0.54 0.00 0.00 174.62 176.30 1pyn h ALA 264 N 2.48 1.50 -0.31 3.99 0.00 -1.92 -1.52 119.26 123.48 1pyn h ALA 264 Ca -0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1pyn h ALA 264 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1pyn h ALA 264 CO 0.47 0.33 0.11 -0.44 0.00 0.00 0.00 179.25 179.72 1pyn h ASP 265 N 0.00 0.44 -0.22 0.00 3.45 -1.95 -0.50 116.42 117.64 1pyn h ASP 265 Ca -0.00 -0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.22 1pyn h ASP 265 Cb 0.48 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 1pyn h ASP 265 CO 0.03 0.50 -0.02 1.56 -1.57 0.00 0.00 179.24 179.75 1pyn h GLN 266 N 0.35 0.53 -0.16 3.56 4.20 -1.81 0.78 115.11 122.56 1pyn h GLN 266 Ca 0.10 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1pyn h GLN 266 Cb 0.21 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1pyn h GLN 266 CO -0.01 0.58 0.02 1.25 -0.67 0.00 0.00 178.83 180.00 1pyn h LEU 267 N 0.51 0.25 -0.73 1.46 5.85 -0.85 0.17 115.31 121.97 1pyn h LEU 267 Ca 0.11 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1pyn h LEU 267 Cb 0.36 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1pyn h LEU 267 CO 0.01 0.46 0.34 -0.09 -0.34 0.00 0.00 178.44 178.82 1pyn h ARG 268 N 0.03 1.05 -0.94 1.25 2.43 -0.83 -2.12 114.38 115.26 1pyn h ARG 268 Ca 0.05 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1pyn h ARG 268 Cb 0.32 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1pyn h ARG 268 CO 0.00 0.83 0.60 0.35 -1.51 0.00 0.00 179.97 180.24 1pyn h PHE 269 N 1.02 1.21 -0.38 2.20 3.57 -0.61 -0.12 116.94 123.82 1pyn h PHE 269 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1pyn h PHE 269 Cb 0.13 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1pyn h PHE 269 CO 0.01 0.78 0.22 0.77 -2.23 0.00 0.00 178.31 177.86 1pyn h SER 270 N 1.28 0.48 0.14 0.41 0.02 -0.43 0.14 113.55 115.60 1pyn h SER 270 Ca 0.34 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1pyn h SER 270 Cb -0.10 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1pyn h SER 270 CO -0.07 0.42 -0.25 1.88 -1.14 0.00 0.00 176.83 177.67 1pyn h TYR 271 N 0.50 -0.67 -0.74 3.45 -1.99 -0.93 -0.45 116.97 116.13 1pyn h TYR 271 Ca 0.14 0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.03 1pyn h TYR 271 Cb 0.04 0.28 -0.10 0.00 2.00 0.00 0.00 36.73 38.95 1pyn h TYR 271 CO -0.03 -0.36 0.23 1.25 -0.00 0.00 0.00 178.16 179.26 1pyn h LEU 272 N -0.47 0.13 -0.36 3.88 5.85 -0.61 0.16 115.31 123.88 1pyn h LEU 272 Ca 0.02 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1pyn h LEU 272 Cb 0.48 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1pyn h LEU 272 CO -0.13 0.02 -0.22 0.00 -0.34 0.00 0.00 178.44 177.77 1pyn h ALA 273 N 1.58 0.51 -0.04 1.25 0.00 -0.25 -1.60 119.26 120.72 1pyn h ALA 273 Ca 0.42 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pyn h ALA 273 Cb 0.69 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pyn h ALA 273 CO -0.46 0.48 0.02 0.28 0.00 0.00 0.00 179.25 179.57 1pyn h VAL 274 N 0.58 1.15 -0.51 0.00 2.07 -0.24 0.16 116.25 119.46 1pyn h VAL 274 Ca 0.07 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1pyn h VAL 274 Cb 0.78 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1pyn h VAL 274 CO 0.06 0.12 0.30 0.40 0.02 0.00 0.00 177.57 178.48 1pyn h ILE 275 N -0.11 1.05 -0.14 4.57 2.04 -0.73 0.17 117.51 124.35 1pyn h ILE 275 Ca 0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1pyn h ILE 275 Cb 0.19 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1pyn h ILE 275 CO -0.00 0.11 -0.07 -0.08 0.00 0.00 0.00 178.15 178.11 1pyn h GLU 276 N 0.61 0.30 0.00 2.37 4.57 -1.22 -2.50 114.58 118.71 1pyn h GLU 276 Ca 0.21 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1pyn h GLU 276 Cb 0.02 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1pyn h GLU 276 CO -0.09 0.62 -0.12 0.78 -1.18 0.00 0.00 179.01 179.02 1pyn h GLY 277 N -0.04 0.00 1.37 1.92 0.00 -0.43 -2.01 103.07 103.88 1pyn h GLY 277 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 1pyn h GLY 277 CO 0.02 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.82 1pyn h ALA 278 N 1.88 0.46 -0.72 3.60 0.00 -0.52 -0.81 119.26 123.14 1pyn h ALA 278 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1pyn h ALA 278 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1pyn h ALA 278 CO 0.02 0.72 0.21 0.87 0.00 0.00 0.00 179.25 181.06 1pyn h LYS 279 N 0.43 1.13 0.30 0.00 1.57 -0.92 0.34 116.57 119.42 1pyn h LYS 279 Ca -0.04 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1pyn h LYS 279 Cb 1.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1pyn h LYS 279 CO 0.14 0.97 -0.14 0.35 -0.57 0.00 0.00 179.45 180.20 1pyn h PHE 280 N 1.07 -0.37 -0.96 -1.35 3.04 -1.42 -2.85 116.94 114.10 1pyn h PHE 280 Ca 0.23 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.35 1pyn h PHE 280 Cb 0.33 0.12 -0.11 0.00 2.56 0.00 0.00 35.95 38.86 1pyn h PHE 280 CO 0.03 -0.23 0.55 0.97 -2.02 0.00 0.00 178.31 177.61 1pyn h ILE 281 N -1.10 0.69 0.00 1.41 2.10 -1.20 -0.36 117.51 119.06 1pyn h ILE 281 Ca -0.04 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1pyn h ILE 281 Cb 0.31 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 35.97 1pyn h ILE 281 CO 0.07 0.13 0.00 0.80 -1.08 0.00 0.00 178.15 178.07 1pyn n MET 282 N -4.81 0.00 -3.24 2.19 1.56 0.11 -4.58 117.12 108.35 1pyn n MET 282 Ca 0.22 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.30 1pyn n MET 282 Cb 0.54 -0.57 -0.04 0.00 2.15 0.00 0.00 33.22 35.30 1pyn n MET 282 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1pyn n GLY 283 N 1.06 4.97 0.00 -5.12 0.00 -1.08 -5.08 105.19 99.94 1pyn n GLY 283 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 46.02 43.30 1pyn n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66