#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c86 h GLU 4 N 0.00 0.68 -0.02 3.17 4.81 -1.97 0.38 114.58 121.64 1c86 h GLU 4 Ca 0.00 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1c86 h GLU 4 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1c86 h GLU 4 CO 0.00 1.07 -0.03 0.87 -0.73 0.00 0.00 179.01 180.19 1c86 h LYS 5 N 0.51 0.05 -0.73 1.92 1.57 -2.04 -2.05 116.57 115.80 1c86 h LYS 5 Ca 0.00 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1c86 h LYS 5 Cb 1.16 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.40 1c86 h LYS 5 CO 0.12 0.61 0.37 1.49 -0.57 0.00 0.00 179.45 181.47 1c86 h GLU 6 N -0.51 0.59 -0.52 3.15 4.81 -1.99 0.29 114.58 120.41 1c86 h GLU 6 Ca 0.00 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1c86 h GLU 6 Cb 0.61 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 1c86 h GLU 6 CO 0.01 0.39 -0.00 0.35 -0.73 0.00 0.00 179.01 179.03 1c86 h PHE 7 N 0.61 -0.04 0.08 0.92 3.57 -0.24 0.18 116.94 122.02 1c86 h PHE 7 Ca 0.37 0.04 -0.28 0.00 3.53 0.00 0.00 57.97 61.62 1c86 h PHE 7 Cb 0.40 0.10 0.03 0.00 2.79 0.00 0.00 35.95 39.27 1c86 h PHE 7 CO -0.11 -0.13 -1.15 0.93 -2.23 0.00 0.00 178.31 175.63 1c86 h GLU 8 N 0.11 0.64 -0.83 1.11 5.08 -0.31 -1.51 114.58 118.86 1c86 h GLU 8 Ca 0.27 -0.79 0.19 0.00 -1.00 0.00 0.00 59.36 58.02 1c86 h GLU 8 Cb 0.41 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 29.80 1c86 h GLU 8 CO -0.44 1.35 0.33 0.37 -1.00 0.00 0.00 179.01 179.62 1c86 h GLN 9 N 0.28 0.39 -0.24 2.33 4.15 -0.42 0.38 115.11 121.97 1c86 h GLN 9 Ca -0.17 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.15 1c86 h GLN 9 Cb 1.82 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.42 1c86 h GLN 9 CO 0.22 0.26 -0.16 0.82 -1.93 0.00 0.00 178.83 178.04 1c86 h ILE 10 N 0.40 1.31 0.59 2.39 2.04 -0.27 -2.31 117.51 121.65 1c86 h ILE 10 Ca 0.49 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1c86 h ILE 10 Cb 0.86 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1c86 h ILE 10 CO -0.49 0.40 -0.28 0.44 0.00 0.00 0.00 178.15 178.21 1c86 h ASP 11 N 0.25 -0.67 -0.75 1.72 5.19 -1.23 0.14 116.42 121.08 1c86 h ASP 11 Ca 0.05 -0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.60 1c86 h ASP 11 Cb 0.69 0.17 -0.10 0.00 0.18 0.00 0.00 39.33 40.27 1c86 h ASP 11 CO 0.04 -0.41 0.26 0.07 -3.12 0.00 0.00 179.24 176.09 1c86 h LYS 12 N -0.89 0.37 -0.74 3.56 2.10 -0.22 -0.38 116.57 120.37 1c86 h LYS 12 Ca -0.08 -0.02 -0.44 0.00 -2.00 0.00 0.00 60.65 58.11 1c86 h LYS 12 Cb 0.64 -0.08 -0.25 0.00 -0.90 0.00 0.00 32.23 31.64 1c86 h LYS 12 CO 0.13 0.25 0.27 -1.13 -2.00 0.00 0.00 179.45 176.97 1c86 n SER 13 N -5.05 4.30 -4.35 7.07 3.41 -0.87 -4.97 113.62 113.15 1c86 n SER 13 Ca 0.14 -3.73 -0.33 0.00 -0.26 0.00 0.00 58.87 54.69 1c86 n SER 13 Cb 0.43 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 1c86 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c86 n GLY 14 N -1.04 -0.18 0.22 5.00 0.00 -0.15 -4.88 105.19 104.15 1c86 n GLY 14 Ca 0.49 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.76 1c86 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c86 n SER 15 N -2.81 2.58 -0.23 1.61 3.41 0.37 -4.71 113.62 113.84 1c86 n SER 15 Ca -0.24 -2.91 0.11 0.00 -0.26 0.00 0.00 58.87 55.57 1c86 n SER 15 Cb 0.65 -0.39 0.39 0.00 -0.26 0.00 0.00 64.21 64.60 1c86 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1c86 h TRP 16 N 0.36 0.76 -0.00 7.33 4.06 -1.90 -1.01 115.95 125.54 1c86 h TRP 16 Ca 0.00 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 1c86 h TRP 16 Cb 1.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 1c86 h TRP 16 CO 0.09 0.32 -0.62 0.00 -3.56 0.00 0.00 178.44 174.67 1c86 h ALA 17 N 1.61 0.98 0.00 1.49 0.00 -1.91 0.80 119.26 122.22 1c86 h ALA 17 Ca 0.40 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1c86 h ALA 17 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1c86 h ALA 17 CO -0.16 0.77 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 1c86 h ALA 18 N 1.38 0.05 -0.76 0.00 0.00 -1.90 0.24 119.26 118.27 1c86 h ALA 18 Ca -0.01 -0.63 0.17 0.00 0.00 0.00 0.00 54.91 54.45 1c86 h ALA 18 Cb 1.09 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1c86 h ALA 18 CO 0.08 0.15 -0.03 0.82 0.00 0.00 0.00 179.25 180.27 1c86 h ILE 19 N -1.00 0.31 -0.08 0.00 1.08 -1.19 0.35 117.51 116.99 1c86 h ILE 19 Ca -0.07 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1c86 h ILE 19 Cb 1.02 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1c86 h ILE 19 CO -0.04 0.01 -0.02 0.22 -0.69 0.00 0.00 178.15 177.63 1c86 h TYR 20 N 0.08 0.18 -0.67 1.37 3.20 -0.87 -1.74 116.97 118.51 1c86 h TYR 20 Ca 0.41 -0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.39 1c86 h TYR 20 Cb 0.72 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.83 1c86 h TYR 20 CO -0.45 0.49 -0.08 1.96 -1.64 0.00 0.00 178.16 178.43 1c86 h GLN 21 N -0.19 0.05 -0.20 1.82 4.20 -0.06 0.18 115.11 120.92 1c86 h GLN 21 Ca 0.02 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1c86 h GLN 21 Cb 0.43 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1c86 h GLN 21 CO 0.01 0.03 0.10 -0.44 -0.67 0.00 0.00 178.83 177.86 1c86 h ASP 22 N 0.05 0.15 -0.53 1.46 3.32 -0.17 0.42 116.42 121.12 1c86 h ASP 22 Ca 0.34 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.51 1c86 h ASP 22 Cb 0.56 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.00 1c86 h ASP 22 CO -0.64 0.11 0.00 0.40 -1.72 0.00 0.00 179.24 177.40 1c86 h ILE 23 N 0.21 0.58 -0.44 0.35 2.04 -0.39 0.25 117.51 120.11 1c86 h ILE 23 Ca 0.08 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1c86 h ILE 23 Cb 0.02 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1c86 h ILE 23 CO -0.06 0.02 0.16 0.03 0.00 0.00 0.00 178.15 178.30 1c86 h ARG 24 N 0.12 0.63 -0.25 2.37 3.08 0.48 0.54 114.38 121.35 1c86 h ARG 24 Ca 0.27 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1c86 h ARG 24 Cb 0.42 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1c86 h ARG 24 CO -0.45 0.54 -0.19 0.45 -1.07 0.00 0.00 179.97 179.25 1c86 h HIS 25 N 0.62 0.66 -0.08 3.04 3.86 0.70 -3.17 115.15 120.78 1c86 h HIS 25 Ca 0.15 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1c86 h HIS 25 Cb 0.16 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1c86 h HIS 25 CO 0.01 0.86 -0.16 0.93 0.86 0.00 0.00 177.93 180.43 1c86 h GLU 26 N 0.27 0.13 -6.86 2.45 5.08 -0.38 -3.48 114.58 111.80 1c86 h GLU 26 Ca 0.05 -0.03 -0.56 0.00 -1.00 0.00 0.00 59.36 57.82 1c86 h GLU 26 Cb 0.72 -0.02 0.17 0.00 0.50 0.00 0.00 28.75 30.13 1c86 h GLU 26 CO 0.05 0.30 0.03 0.00 -1.00 0.00 0.00 179.01 178.38 1c86 n ALA 27 N -2.49 -0.29 -1.30 3.43 0.00 0.16 -4.93 120.51 115.09 1c86 n ALA 27 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1c86 n ALA 27 Cb 0.27 -2.07 0.09 0.00 0.00 0.00 0.00 19.45 17.73 1c86 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1c86 s SER 28 N -1.47 4.55 -0.04 0.00 0.01 -1.26 -5.05 113.70 110.43 1c86 s SER 28 Ca 0.73 1.77 -0.02 0.00 1.31 0.00 0.00 55.95 59.75 1c86 s SER 28 Cb -0.37 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.40 1c86 s SER 28 CO 0.50 -2.00 0.05 -0.62 0.41 0.00 0.00 173.24 171.58 1c86 s ASP 29 N -3.45 1.17 0.04 2.44 2.15 -1.26 -4.94 116.67 112.81 1c86 s ASP 29 Ca 0.61 0.05 -0.00 0.00 0.43 0.00 0.00 52.55 53.64 1c86 s ASP 29 Cb -0.17 -0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.23 1c86 s ASP 29 CO 0.56 -0.23 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.93 1c86 s PHE 30 N 2.08 0.44 0.56 -5.34 0.08 -1.26 -5.13 117.98 109.41 1c86 s PHE 30 Ca 0.04 -0.79 -0.21 0.00 0.12 0.00 0.00 56.93 56.09 1c86 s PHE 30 Cb -0.12 -0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1c86 s PHE 30 CO -0.03 -0.26 1.27 -0.35 -0.10 0.00 0.00 175.22 175.75 1c86 n PRO 31 N 0.84 1.50 -2.70 0.24 -0.04 -1.26 -4.83 135.00 128.74 1c86 n PRO 31 Ca -0.19 0.56 -0.24 0.00 -0.04 0.00 0.00 63.50 63.59 1c86 n PRO 31 Cb 0.58 -2.48 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 1c86 n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c86 h ARG 33 N 2.79 0.84 -0.41 0.00 3.08 -1.93 -2.96 114.38 115.79 1c86 h ARG 33 Ca 0.18 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 1c86 h ARG 33 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1c86 h ARG 33 CO 0.77 1.05 -0.25 -0.24 -1.07 0.00 0.00 179.97 180.23 1c86 h VAL 34 N 0.70 1.27 -1.13 2.04 3.04 -1.93 -2.26 116.25 117.98 1c86 h VAL 34 Ca 0.07 -1.40 0.32 0.00 -1.01 0.00 0.00 66.70 64.68 1c86 h VAL 34 Cb 0.91 1.22 -0.10 0.00 -2.01 0.00 0.00 31.29 31.31 1c86 h VAL 34 CO 0.08 0.47 0.74 0.00 -1.01 0.00 0.00 177.57 177.85 1c86 h ALA 35 N 0.97 2.45 -0.01 3.17 0.00 -1.82 0.31 119.26 124.33 1c86 h ALA 35 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1c86 h ALA 35 Cb 0.80 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1c86 h ALA 35 CO 0.07 -0.91 -0.39 1.63 0.00 0.00 0.00 179.25 179.65 1c86 n LYS 36 N -4.60 0.95 -1.58 0.00 4.76 -1.02 -4.65 118.16 112.01 1c86 n LYS 36 Ca 0.28 -0.69 -0.50 0.00 -2.87 0.00 0.00 58.31 54.54 1c86 n LYS 36 Cb 1.06 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.72 1c86 n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c86 n LEU 37 N -0.43 1.55 -0.06 -0.35 4.77 0.10 -4.85 117.00 117.72 1c86 n LEU 37 Ca 0.10 1.13 0.13 0.00 -0.03 0.00 0.00 56.01 57.34 1c86 n LEU 37 Cb 0.40 -1.20 0.53 0.00 -2.33 0.00 0.00 43.42 40.81 1c86 n LEU 37 CO 0.28 -1.22 1.18 -0.65 -1.33 0.00 0.00 177.39 175.65 1c86 h PRO 38 N 3.78 0.34 0.00 3.23 0.11 -1.91 0.27 132.00 137.83 1c86 h PRO 38 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1c86 h PRO 38 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1c86 h PRO 38 CO 0.73 0.23 0.00 1.57 -0.21 0.00 0.00 178.00 180.31 1c86 h LYS 39 N 0.35 0.00 -0.50 1.05 2.10 -1.94 -2.62 116.57 115.01 1c86 h LYS 39 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1c86 h LYS 39 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1c86 h LYS 39 CO -0.07 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.47 1c86 n ASN 40 N -2.51 3.38 -0.17 7.07 3.02 0.95 -4.62 115.26 122.38 1c86 n ASN 40 Ca -0.02 -1.97 -0.05 0.00 -0.03 0.00 0.00 54.58 52.51 1c86 n ASN 40 Cb 0.06 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1c86 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1c86 h LYS 41 N 3.32 0.54 -0.20 3.52 3.64 -1.52 -0.85 116.57 125.01 1c86 h LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1c86 h LYS 41 Cb 0.86 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1c86 h LYS 41 CO 0.00 0.35 0.00 0.27 -2.27 0.00 0.00 179.45 177.80 1c86 n ASN 42 N -4.84 1.07 -0.53 4.20 0.23 -1.26 -2.24 115.26 111.88 1c86 n ASN 42 Ca 0.04 -2.00 0.09 0.00 -0.53 0.00 0.00 54.58 52.18 1c86 n ASN 42 Cb 0.10 -0.13 0.02 0.00 -2.08 0.00 0.00 39.78 37.69 1c86 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1c86 n ARG 43 N 0.08 1.58 -4.98 -3.83 1.74 -0.34 -4.88 116.66 106.03 1c86 n ARG 43 Ca 0.07 -1.13 -0.32 0.00 -0.77 0.00 0.00 57.85 55.69 1c86 n ARG 43 Cb 0.17 -1.35 -0.14 0.00 -1.02 0.00 0.00 32.46 30.12 1c86 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1c86 s ASN 44 N -1.94 3.76 -0.05 0.55 0.01 -0.95 -4.49 114.94 111.84 1c86 s ASN 44 Ca 0.18 -0.29 -0.20 0.00 -0.71 0.00 0.00 52.86 51.83 1c86 s ASN 44 Cb 0.15 -0.87 -0.31 0.00 0.41 0.00 0.00 41.25 40.63 1c86 s ASN 44 CO 0.39 0.31 0.84 -0.09 -1.51 0.00 0.00 177.10 177.03 1c86 h ARG 45 N 5.62 0.31 -5.26 -0.60 2.43 -1.87 -3.44 114.38 111.58 1c86 h ARG 45 Ca -0.42 -0.54 -0.67 0.00 -0.81 0.00 0.00 59.98 57.55 1c86 h ARG 45 Cb 1.16 0.20 -0.30 0.00 -0.42 0.00 0.00 29.97 30.60 1c86 h ARG 45 CO 0.50 1.26 -0.82 0.71 -1.51 0.00 0.00 179.97 180.11 1c86 s TYR 46 N -2.45 2.73 0.40 2.20 2.02 -1.26 -5.02 117.35 115.96 1c86 s TYR 46 Ca -0.14 -0.96 0.18 0.00 -0.37 0.00 0.00 57.07 55.78 1c86 s TYR 46 Cb 0.02 -1.83 1.10 0.00 -0.40 0.00 0.00 41.96 40.85 1c86 s TYR 46 CO 0.83 -0.41 1.77 -0.39 -1.57 0.00 0.00 175.55 175.79 1c86 h VAL 47 N 5.62 0.53 -0.66 0.71 -1.51 -1.96 -1.85 116.25 117.12 1c86 h VAL 47 Ca -0.28 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1c86 h VAL 47 Cb 1.21 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1c86 h VAL 47 CO 0.54 0.07 0.00 -0.46 -1.23 0.00 0.00 177.57 176.49 1c86 n ASN 48 N -4.62 4.73 -3.67 4.19 6.94 -1.26 -4.75 115.26 116.81 1c86 n ASN 48 Ca 0.25 -2.41 -0.27 0.00 -0.02 0.00 0.00 54.58 52.13 1c86 n ASN 48 Cb 0.87 -0.58 -0.16 0.00 -2.36 0.00 0.00 39.78 37.55 1c86 n ASN 48 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1c86 s VAL 49 N -1.79 0.27 0.11 3.53 0.11 -0.70 -5.11 120.40 116.82 1c86 s VAL 49 Ca 0.51 -0.47 0.07 0.00 -2.93 0.00 0.00 61.98 59.17 1c86 s VAL 49 Cb 0.33 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1c86 s VAL 49 CO 0.26 -0.30 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.10 1c86 s SER 50 N 1.97 2.34 0.04 3.54 0.01 -1.26 -4.64 113.70 115.70 1c86 s SER 50 Ca 0.01 -0.72 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1c86 s SER 50 Cb -0.17 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1c86 s SER 50 CO -0.11 -0.01 1.17 -2.16 0.41 0.00 0.00 173.24 172.54 1c86 s PRO 51 N -2.11 4.44 0.38 12.44 0.04 -1.26 -4.57 135.00 144.36 1c86 s PRO 51 Ca 0.07 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.55 1c86 s PRO 51 Cb -0.09 -3.39 -0.11 0.00 0.04 0.00 0.00 34.50 30.95 1c86 s PRO 51 CO 0.04 -0.26 1.31 1.19 0.04 0.00 0.00 177.00 179.32 1c86 n PHE 52 N 4.09 2.31 -0.02 0.56 3.72 -1.26 -4.56 117.46 122.30 1c86 n PHE 52 Ca 0.09 0.52 0.03 0.00 -0.05 0.00 0.00 57.45 58.04 1c86 n PHE 52 Cb 0.47 -2.41 0.40 0.00 -0.94 0.00 0.00 39.48 37.00 1c86 n PHE 52 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1c86 h ASP 53 N 2.40 0.51 -0.37 4.37 3.32 -0.98 -2.35 116.42 123.33 1c86 h ASP 53 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1c86 h ASP 53 Cb 1.28 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1c86 h ASP 53 CO 0.62 0.38 0.24 1.12 -1.72 0.00 0.00 179.24 179.87 1c86 h HIS 54 N 0.60 0.48 -0.09 4.55 2.07 -1.92 -3.08 115.15 117.76 1c86 h HIS 54 Ca 0.16 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 1c86 h HIS 54 Cb -0.06 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 29.76 1c86 h HIS 54 CO 0.00 0.31 0.00 -1.13 -3.07 0.00 0.00 177.93 174.04 1c86 n SER 55 N -4.47 2.09 -4.75 3.10 3.41 -1.11 -5.04 113.62 106.86 1c86 n SER 55 Ca 0.03 -1.84 -0.34 0.00 -0.26 0.00 0.00 58.87 56.46 1c86 n SER 55 Cb 0.07 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1c86 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c86 s ARG 56 N -0.86 2.47 -0.17 4.33 1.70 -0.90 -1.16 118.95 124.36 1c86 s ARG 56 Ca 0.06 1.57 -0.21 0.00 -0.47 0.00 0.00 55.73 56.69 1c86 s ARG 56 Cb 0.04 -1.89 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 1c86 s ARG 56 CO 0.05 -1.54 0.64 0.42 -1.08 0.00 0.00 175.30 173.78 1c86 s ILE 57 N -2.16 5.03 -0.11 4.99 -1.09 -0.12 -4.73 121.20 123.00 1c86 s ILE 57 Ca 0.71 1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 60.21 1c86 s ILE 57 Cb -0.25 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1c86 s ILE 57 CO 0.43 0.14 0.35 -0.54 -1.23 0.00 0.00 174.94 174.10 1c86 s LYS 58 N 1.67 4.13 0.39 2.79 1.02 -1.26 -4.09 119.74 124.39 1c86 s LYS 58 Ca 0.30 0.24 -0.27 0.00 0.02 0.00 0.00 55.97 56.26 1c86 s LYS 58 Cb -0.16 -3.36 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 1c86 s LYS 58 CO 0.11 0.37 1.33 -0.51 -0.92 0.00 0.00 175.35 175.74 1c86 s LEU 59 N 0.01 4.25 -1.36 3.17 2.01 -0.05 -4.92 118.68 121.79 1c86 s LEU 59 Ca 0.20 2.72 -0.07 0.00 0.01 0.00 0.00 54.13 57.00 1c86 s LEU 59 Cb -0.14 -3.84 0.05 0.00 0.01 0.00 0.00 46.19 42.27 1c86 s LEU 59 CO 0.08 -0.82 2.59 1.41 1.01 0.00 0.00 176.35 180.61 1c86 n HIS 60 N 0.25 2.47 -4.60 0.29 8.25 -1.26 -4.61 115.22 116.02 1c86 n HIS 60 Ca 0.03 -2.85 -0.28 0.00 -0.26 0.00 0.00 57.72 54.36 1c86 n HIS 60 Cb 0.43 -2.00 -0.14 0.00 1.12 0.00 0.00 29.99 29.40 1c86 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1c86 s GLN 61 N -0.20 1.48 0.14 -0.41 -2.07 -1.26 -5.04 119.66 112.29 1c86 s GLN 61 Ca 0.59 -1.14 -0.08 0.00 -1.82 0.00 0.00 55.36 52.91 1c86 s GLN 61 Cb 0.19 -1.74 -0.05 0.00 -1.09 0.00 0.00 33.01 30.33 1c86 s GLN 61 CO -0.09 0.43 1.38 0.93 -1.32 0.00 0.00 175.29 176.62 1c86 h GLU 62 N 4.45 0.67 0.00 9.60 5.08 -2.02 -3.36 114.58 128.99 1c86 h GLU 62 Ca -0.47 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.38 1c86 h GLU 62 Cb 1.16 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1c86 h GLU 62 CO 0.42 1.13 0.00 -3.47 -1.00 0.00 0.00 179.01 176.09 1c86 n ASP 63 N -3.92 0.00 -3.59 1.42 2.03 -1.26 -4.62 116.55 106.61 1c86 n ASP 63 Ca -0.06 0.26 -0.24 0.00 0.52 0.00 0.00 54.79 55.28 1c86 n ASP 63 Cb 0.70 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.94 1c86 n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1c86 s ASN 64 N -2.76 2.04 0.00 1.67 3.84 -1.26 -5.01 114.94 113.46 1c86 s ASN 64 Ca 0.00 -0.47 0.21 0.00 0.21 0.00 0.00 52.86 52.82 1c86 s ASN 64 Cb 0.00 -0.10 1.27 0.00 -0.55 0.00 0.00 41.25 41.87 1c86 s ASN 64 CO 0.00 -0.34 1.71 -0.90 -2.79 0.00 0.00 177.10 174.78 1c86 n ASP 65 N 5.29 0.00 -4.66 -4.21 5.68 -1.26 -4.79 116.55 112.60 1c86 n ASP 65 Ca -0.06 -0.94 -0.42 0.00 -0.50 0.00 0.00 54.79 52.87 1c86 n ASP 65 Cb 0.49 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 1c86 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1c86 s TYR 66 N -2.00 3.38 -0.02 2.11 5.04 -1.26 -0.88 117.35 123.72 1c86 s TYR 66 Ca 0.32 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 56.30 1c86 s TYR 66 Cb 0.15 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.35 1c86 s TYR 66 CO 0.25 -0.35 -0.16 -1.50 -1.34 0.00 0.00 175.55 172.45 1c86 s ILE 67 N 2.60 1.28 -1.13 3.14 2.07 -1.26 -4.92 121.20 122.99 1c86 s ILE 67 Ca 0.39 -0.67 -0.25 0.00 -1.41 0.00 0.00 60.65 58.71 1c86 s ILE 67 Cb -0.16 -1.08 -0.17 0.00 0.13 0.00 0.00 42.46 41.18 1c86 s ILE 67 CO 0.10 0.37 2.04 0.21 -1.91 0.00 0.00 174.94 175.75 1c86 s ASN 68 N -0.23 4.04 -0.11 4.50 3.84 -1.26 -4.49 114.94 121.23 1c86 s ASN 68 Ca 0.03 -1.25 -0.23 0.00 0.21 0.00 0.00 52.86 51.62 1c86 s ASN 68 Cb -0.08 -2.59 0.05 0.00 -0.55 0.00 0.00 41.25 38.08 1c86 s ASN 68 CO 0.00 -4.13 0.56 0.00 -2.79 0.00 0.00 177.10 170.73 1c86 s ALA 69 N 14.76 -1.41 0.02 1.71 0.00 -1.26 -3.14 121.76 132.45 1c86 s ALA 69 Ca 0.76 1.23 0.06 0.00 0.00 0.00 0.00 51.96 54.01 1c86 s ALA 69 Cb -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1c86 s ALA 69 CO 0.16 -0.31 -0.17 -1.12 0.00 0.00 0.00 175.76 174.33 1c86 s SER 70 N -0.60 1.96 -0.32 0.00 0.01 0.17 -0.95 113.70 113.97 1c86 s SER 70 Ca -0.07 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.56 1c86 s SER 70 Cb -0.03 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1c86 s SER 70 CO 0.05 0.12 0.67 -0.22 0.41 0.00 0.00 173.24 174.27 1c86 s LEU 71 N -0.90 4.15 -0.49 2.44 0.20 -0.30 -0.90 118.68 122.87 1c86 s LEU 71 Ca 0.05 0.41 -0.21 0.00 0.69 0.00 0.00 54.13 55.07 1c86 s LEU 71 Cb -0.08 -2.87 0.04 0.00 -0.43 0.00 0.00 46.19 42.86 1c86 s LEU 71 CO 0.01 -0.54 0.70 -0.63 -0.29 0.00 0.00 176.35 175.60 1c86 s ILE 72 N 2.72 4.75 -0.44 6.68 1.09 0.46 -4.88 121.20 131.58 1c86 s ILE 72 Ca 0.27 -0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 59.71 1c86 s ILE 72 Cb -0.15 -4.32 0.12 0.00 -1.06 0.00 0.00 42.46 37.05 1c86 s ILE 72 CO 0.13 -0.80 0.22 -0.75 -0.10 0.00 0.00 174.94 173.64 1c86 s LYS 73 N 3.00 2.01 -0.78 2.79 2.20 -1.26 -1.88 119.74 125.82 1c86 s LYS 73 Ca 0.21 -1.97 -0.22 0.00 -0.36 0.00 0.00 55.97 53.64 1c86 s LYS 73 Cb -0.16 -3.55 0.08 0.00 -1.51 0.00 0.00 37.83 32.70 1c86 s LYS 73 CO 0.16 -1.07 1.08 -1.64 -0.36 0.00 0.00 175.35 173.52 1c86 s MET 74 N 0.87 3.31 0.10 4.03 -1.94 -0.93 -4.92 119.30 119.83 1c86 s MET 74 Ca 0.10 -1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 52.68 1c86 s MET 74 Cb -0.22 -4.54 -0.11 0.00 2.01 0.00 0.00 34.83 31.97 1c86 s MET 74 CO -0.04 -1.86 1.62 1.49 -0.01 0.00 0.00 175.02 176.22 1c86 h GLU 75 N 9.39 -0.58 -0.18 2.03 4.81 -1.95 0.43 114.58 128.53 1c86 h GLU 75 Ca -0.10 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1c86 h GLU 75 Cb 1.05 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1c86 h GLU 75 CO 1.19 -0.39 0.11 1.49 -0.73 0.00 0.00 179.01 180.69 1c86 h GLU 76 N -0.60 0.23 0.00 1.92 4.81 -1.97 -2.43 114.58 116.55 1c86 h GLU 76 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1c86 h GLU 76 Cb 0.58 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1c86 h GLU 76 CO -0.11 0.16 0.00 0.00 -0.73 0.00 0.00 179.01 178.33 1c86 h ALA 77 N 1.06 1.00 -5.88 2.92 0.00 -1.91 -3.48 119.26 112.97 1c86 h ALA 77 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.59 1c86 h ALA 77 Cb -0.02 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.88 1c86 h ALA 77 CO -0.01 0.00 -0.78 1.04 0.00 0.00 0.00 179.25 179.50 1c86 n GLN 78 N -2.95 -6.07 -3.82 0.00 6.02 0.15 -4.90 117.38 105.81 1c86 n GLN 78 Ca 0.01 0.75 -0.13 0.00 -0.01 0.00 0.00 57.00 57.62 1c86 n GLN 78 Cb 0.32 -5.59 -0.13 0.00 1.02 0.00 0.00 30.24 25.85 1c86 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1c86 s ARG 79 N -5.78 0.11 0.28 -1.09 3.52 -1.06 -4.99 118.95 109.94 1c86 s ARG 79 Ca 0.11 0.19 0.11 0.00 -0.13 0.00 0.00 55.73 56.01 1c86 s ARG 79 Cb -0.05 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 1c86 s ARG 79 CO 0.77 -0.05 -0.11 -1.12 -0.81 0.00 0.00 175.30 173.98 1c86 s SER 80 N 0.30 3.99 0.10 -2.12 0.01 -1.26 -2.18 113.70 112.53 1c86 s SER 80 Ca -0.02 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.37 1c86 s SER 80 Cb -0.03 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1c86 s SER 80 CO -0.01 -0.01 -0.09 -0.31 0.41 0.00 0.00 173.24 173.24 1c86 s TYR 81 N -2.45 0.97 -0.25 2.43 1.51 -0.79 -4.06 117.35 114.72 1c86 s TYR 81 Ca 0.31 -0.74 -0.07 0.00 -1.01 0.00 0.00 57.07 55.56 1c86 s TYR 81 Cb -0.05 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1c86 s TYR 81 CO 0.17 -0.06 0.06 0.42 -1.11 0.00 0.00 175.55 175.04 1c86 s ILE 82 N -2.81 4.19 -0.17 2.71 1.01 0.09 -0.41 121.20 125.81 1c86 s ILE 82 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 1c86 s ILE 82 Cb -0.00 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1c86 s ILE 82 CO -0.02 0.32 0.11 -0.76 0.00 0.00 0.00 174.94 174.60 1c86 s LEU 83 N 1.59 4.15 0.04 2.97 1.02 -0.08 -0.07 118.68 128.31 1c86 s LEU 83 Ca 0.06 0.25 -0.01 0.00 0.02 0.00 0.00 54.13 54.46 1c86 s LEU 83 Cb -0.15 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.97 1c86 s LEU 83 CO 0.03 0.24 -0.03 0.28 0.02 0.00 0.00 176.35 176.89 1c86 s THR 84 N -0.01 0.19 0.77 5.49 -1.32 -0.83 -0.66 115.64 119.27 1c86 s THR 84 Ca 0.09 -1.53 -0.12 0.00 -1.21 0.00 0.00 61.69 58.92 1c86 s THR 84 Cb -0.11 -1.13 0.05 0.00 -1.51 0.00 0.00 72.50 69.80 1c86 s THR 84 CO -0.00 -0.84 1.13 0.00 -2.21 0.00 0.00 174.62 172.70 1c86 s GLN 85 N -3.15 2.34 0.14 7.08 -2.07 -1.19 -3.30 119.66 119.51 1c86 s GLN 85 Ca -0.00 0.33 -0.31 0.00 -1.82 0.00 0.00 55.36 53.56 1c86 s GLN 85 Cb 0.02 -1.97 -0.09 0.00 -1.09 0.00 0.00 33.01 29.88 1c86 s GLN 85 CO -0.07 -1.38 1.50 0.20 -1.32 0.00 0.00 175.29 174.22 1c86 s GLY 86 N -4.38 1.73 0.36 2.60 0.00 0.74 -4.86 107.32 103.51 1c86 s GLY 86 Ca 0.60 1.26 -0.25 0.00 0.00 0.00 0.00 44.72 46.33 1c86 s GLY 86 CO 0.51 2.53 0.75 -1.05 0.00 0.00 0.00 173.10 175.83 1c86 n PRO 87 N 4.06 0.84 -2.59 2.90 -0.02 -1.26 -4.64 135.00 134.29 1c86 n PRO 87 Ca 0.13 0.30 -0.24 0.00 -2.02 0.00 0.00 63.50 61.67 1c86 n PRO 87 Cb 0.40 -1.62 0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1c86 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1c86 s LEU 88 N 1.18 3.30 0.42 2.45 2.01 -1.26 -0.42 118.68 126.36 1c86 s LEU 88 Ca 0.62 0.38 0.15 0.00 0.01 0.00 0.00 54.13 55.29 1c86 s LEU 88 Cb -0.66 -3.21 1.02 0.00 0.01 0.00 0.00 46.19 43.35 1c86 s LEU 88 CO 0.58 -1.06 1.93 -0.65 1.01 0.00 0.00 176.35 178.16 1c86 h PRO 89 N -0.02 0.43 -0.01 1.29 0.11 -1.95 -1.80 132.00 130.05 1c86 h PRO 89 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1c86 h PRO 89 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1c86 h PRO 89 CO 0.58 0.28 -0.23 0.27 -0.21 0.00 0.00 178.00 178.69 1c86 n ASN 90 N -4.48 1.01 -0.33 -2.05 6.94 -1.26 -4.24 115.26 110.85 1c86 n ASN 90 Ca 0.14 -0.90 0.06 0.00 -0.02 0.00 0.00 54.58 53.86 1c86 n ASN 90 Cb 0.49 0.11 0.13 0.00 -2.36 0.00 0.00 39.78 38.15 1c86 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1c86 n THR 91 N -0.63 1.61 0.17 5.53 -2.24 -0.69 -4.66 114.28 113.39 1c86 n THR 91 Ca 0.13 -1.65 0.03 0.00 -2.27 0.00 0.00 64.05 60.29 1c86 n THR 91 Cb 0.34 0.06 0.30 0.00 -2.10 0.00 0.00 70.33 68.94 1c86 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c86 h GLY 93 N 1.81 0.63 0.34 0.00 0.00 -1.90 -2.88 103.07 101.07 1c86 h GLY 93 Ca -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 47.33 46.71 1c86 h GLY 93 CO 0.06 0.61 -0.11 0.45 0.00 0.00 0.00 176.54 177.54 1c86 h HIS 94 N 0.27 -0.27 -0.44 5.60 -0.00 -1.83 0.11 115.15 118.58 1c86 h HIS 94 Ca 0.03 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1c86 h HIS 94 Cb 0.84 0.16 -0.10 0.00 -0.00 0.00 0.00 27.41 28.32 1c86 h HIS 94 CO 0.08 -0.18 -0.33 0.35 -0.00 0.00 0.00 177.93 177.85 1c86 h PHE 95 N -0.06 -0.93 0.00 2.45 3.57 -0.99 0.94 116.94 121.92 1c86 h PHE 95 Ca 0.14 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 1c86 h PHE 95 Cb 0.28 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1c86 h PHE 95 CO -0.31 -0.39 -0.63 -1.49 -2.23 0.00 0.00 178.31 173.27 1c86 h TRP 96 N -0.24 0.00 -0.62 0.41 4.06 -1.36 -1.04 115.95 117.16 1c86 h TRP 96 Ca 0.18 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.16 1c86 h TRP 96 Cb 0.54 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.66 1c86 h TRP 96 CO -0.57 0.63 0.38 1.49 -3.56 0.00 0.00 178.44 176.82 1c86 h GLU 97 N 0.00 0.73 -0.38 0.49 4.81 -0.38 -0.62 114.58 119.24 1c86 h GLU 97 Ca -0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1c86 h GLU 97 Cb 1.30 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1c86 h GLU 97 CO 0.08 0.49 0.10 1.98 -0.73 0.00 0.00 179.01 180.93 1c86 h MET 98 N 0.76 0.60 -0.48 1.92 4.05 -0.35 0.16 114.93 121.58 1c86 h MET 98 Ca 0.25 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1c86 h MET 98 Cb 0.02 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1c86 h MET 98 CO -0.10 0.63 0.28 0.28 0.23 0.00 0.00 176.91 178.22 1c86 h VAL 99 N 0.46 1.03 0.23 -5.77 2.07 -0.99 -0.12 116.25 113.16 1c86 h VAL 99 Ca 0.12 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1c86 h VAL 99 Cb 0.29 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1c86 h VAL 99 CO -0.00 0.10 -0.22 -0.25 0.02 0.00 0.00 177.57 177.22 1c86 h TRP 100 N 0.55 -0.59 -0.34 1.57 2.91 -0.84 -1.75 115.95 117.47 1c86 h TRP 100 Ca 0.19 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 1c86 h TRP 100 Cb 0.03 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 1c86 h TRP 100 CO -0.07 -0.33 0.15 0.93 -1.03 0.00 0.00 178.44 178.08 1c86 h GLU 101 N -0.48 0.49 0.00 2.65 5.08 -0.54 -2.77 114.58 119.01 1c86 h GLU 101 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1c86 h GLU 101 Cb 0.45 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1c86 h GLU 101 CO -0.05 0.47 0.00 1.04 -1.00 0.00 0.00 179.01 179.47 1c86 n GLN 102 N -4.73 0.02 -2.33 2.33 1.13 -0.07 -4.92 117.38 108.81 1c86 n GLN 102 Ca -0.01 0.11 -0.12 0.00 -1.94 0.00 0.00 57.00 55.03 1c86 n GLN 102 Cb 0.12 -1.53 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 1c86 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1c86 n LYS 103 N -1.56 -1.36 -2.38 -1.09 5.02 -0.71 -3.99 118.16 112.09 1c86 n LYS 103 Ca 0.06 0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 56.58 1c86 n LYS 103 Cb 0.29 -4.75 -0.02 0.00 -0.02 0.00 0.00 35.03 30.52 1c86 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c86 s SER 104 N -2.52 6.21 -0.08 4.39 0.01 -0.91 -0.30 113.70 120.51 1c86 s SER 104 Ca 0.04 2.13 0.18 0.00 1.31 0.00 0.00 55.95 59.60 1c86 s SER 104 Cb -0.02 -2.58 -0.26 0.00 0.21 0.00 0.00 66.02 63.37 1c86 s SER 104 CO 0.04 -0.88 0.28 -1.14 0.41 0.00 0.00 173.24 171.96 1c86 n ARG 105 N -0.73 0.79 -4.20 12.44 0.00 -1.26 -4.85 116.66 118.85 1c86 n ARG 105 Ca 0.08 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.85 57.65 1c86 n ARG 105 Cb 0.50 -1.44 -0.11 0.00 0.00 0.00 0.00 32.46 31.40 1c86 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1c86 s GLY 106 N -4.52 0.94 -0.10 5.14 0.00 -1.26 -1.40 107.32 106.12 1c86 s GLY 106 Ca -0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 1c86 s GLY 106 CO 0.75 -1.21 -0.06 0.14 0.00 0.00 0.00 173.10 172.72 1c86 s VAL 107 N -1.88 0.88 -0.26 1.40 1.01 0.86 -2.50 120.40 119.90 1c86 s VAL 107 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1c86 s VAL 107 Cb -0.06 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1c86 s VAL 107 CO 0.02 0.34 0.14 -0.69 0.00 0.00 0.00 175.10 174.91 1c86 s VAL 108 N 1.75 4.94 -0.22 2.92 1.01 0.54 -0.91 120.40 130.42 1c86 s VAL 108 Ca 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1c86 s VAL 108 Cb -0.13 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1c86 s VAL 108 CO -0.07 0.30 -0.02 -0.32 0.00 0.00 0.00 175.10 174.99 1c86 s MET 109 N 1.58 3.47 0.00 2.72 0.00 0.27 -0.74 119.30 126.60 1c86 s MET 109 Ca 0.07 -0.58 0.17 0.00 0.00 0.00 0.00 55.69 55.35 1c86 s MET 109 Cb -0.15 -3.07 0.39 0.00 0.00 0.00 0.00 34.83 32.00 1c86 s MET 109 CO 0.07 -0.14 1.31 1.28 0.00 0.00 0.00 175.02 177.54 1c86 n LEU 110 N 4.68 3.18 -4.49 4.11 4.77 0.05 -1.09 117.00 128.21 1c86 n LEU 110 Ca -0.18 -1.73 -0.23 0.00 -0.03 0.00 0.00 56.01 53.84 1c86 n LEU 110 Cb 0.51 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1c86 n LEU 110 CO 0.30 0.75 -0.26 0.54 -1.33 0.00 0.00 177.39 177.38 1c86 s ASN 111 N -1.13 2.68 0.11 -1.43 2.20 -1.24 -4.54 114.94 111.59 1c86 s ASN 111 Ca 0.32 -1.42 0.02 0.00 -0.94 0.00 0.00 52.86 50.83 1c86 s ASN 111 Cb 0.18 -0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.37 1c86 s ASN 111 CO 0.24 -0.64 0.24 -0.13 -2.94 0.00 0.00 177.10 173.87 1c86 s ARG 112 N -3.85 3.40 0.22 3.55 0.52 -1.26 -4.81 118.95 116.72 1c86 s ARG 112 Ca 0.33 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 54.90 1c86 s ARG 112 Cb 0.08 -2.98 0.31 0.00 0.52 0.00 0.00 34.95 32.88 1c86 s ARG 112 CO 0.15 0.56 1.66 0.28 0.02 0.00 0.00 175.30 177.97 1c86 h VAL 113 N 1.87 0.46 -3.41 3.52 2.07 -1.93 -3.40 116.25 115.43 1c86 h VAL 113 Ca -0.47 -0.04 -0.64 0.00 0.82 0.00 0.00 66.70 66.37 1c86 h VAL 113 Cb 1.18 0.35 -0.22 0.00 -1.52 0.00 0.00 31.29 31.08 1c86 h VAL 113 CO 0.71 0.02 -0.65 -0.32 0.02 0.00 0.00 177.57 177.36 1c86 s MET 114 N -6.15 3.67 -0.05 1.57 -2.45 -1.26 -0.77 119.30 113.87 1c86 s MET 114 Ca -0.14 -0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1c86 s MET 114 Cb 0.19 -3.09 0.04 0.00 1.25 0.00 0.00 34.83 33.22 1c86 s MET 114 CO 0.74 0.07 0.09 -1.21 1.05 0.00 0.00 175.02 175.76 1c86 s GLU 115 N 0.86 0.03 -1.54 4.11 2.02 0.13 -4.83 118.70 119.47 1c86 s GLU 115 Ca 0.01 0.31 -0.11 0.00 0.02 0.00 0.00 54.97 55.20 1c86 s GLU 115 Cb -0.14 -0.23 0.08 0.00 0.10 0.00 0.00 34.13 33.94 1c86 s GLU 115 CO 0.02 -0.18 0.77 1.63 0.02 0.00 0.00 175.26 177.51 1c86 n LYS 116 N 4.30 -4.18 0.00 1.61 5.02 -1.26 -1.23 118.16 122.42 1c86 n LYS 116 Ca -0.25 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1c86 n LYS 116 Cb 0.51 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 1c86 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c86 n GLY 117 N -1.65 2.58 3.75 0.72 0.00 -1.26 -4.97 105.19 104.36 1c86 n GLY 117 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1c86 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c86 s SER 118 N -2.41 5.36 -0.94 1.61 0.01 -0.36 -5.08 113.70 111.89 1c86 s SER 118 Ca 0.00 -0.09 -0.22 0.00 1.31 0.00 0.00 55.95 56.95 1c86 s SER 118 Cb 0.00 -1.38 0.08 0.00 0.21 0.00 0.00 66.02 64.93 1c86 s SER 118 CO 0.00 0.15 1.29 -0.76 0.41 0.00 0.00 173.24 174.33 1c86 s LEU 119 N -2.53 4.10 0.00 2.44 1.43 -1.26 -0.69 118.68 122.16 1c86 s LEU 119 Ca 0.29 -1.56 0.26 0.00 -1.03 0.00 0.00 54.13 52.09 1c86 s LEU 119 Cb -0.12 -2.50 1.26 0.00 0.03 0.00 0.00 46.19 44.87 1c86 s LEU 119 CO 0.21 -1.37 1.87 0.29 0.23 0.00 0.00 176.35 177.59 1c86 n LYS 120 N 8.00 0.27 -3.64 1.70 4.76 0.05 -4.89 118.16 124.41 1c86 n LYS 120 Ca 0.25 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.68 1c86 n LYS 120 Cb 0.50 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.12 1c86 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c86 s ALA 122 N -0.11 2.25 -1.05 0.00 0.00 0.44 -4.74 121.76 118.56 1c86 s ALA 122 Ca 0.05 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 1c86 s ALA 122 Cb -0.04 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1c86 s ALA 122 CO -0.10 -1.72 1.50 -1.14 0.00 0.00 0.00 175.76 174.30 1c86 s GLN 123 N -4.96 3.61 0.00 0.00 2.00 -1.26 -4.82 119.66 114.23 1c86 s GLN 123 Ca 0.61 -1.21 0.23 0.00 -2.00 0.00 0.00 55.36 52.99 1c86 s GLN 123 Cb -0.16 -5.37 0.20 0.00 0.80 0.00 0.00 33.01 28.47 1c86 s GLN 123 CO 0.56 -2.26 1.25 2.48 -0.50 0.00 0.00 175.29 176.83 1c86 n TYR 124 N 8.99 0.03 -4.44 1.67 4.11 -1.26 -4.87 117.16 121.39 1c86 n TYR 124 Ca 0.35 -0.02 -0.26 0.00 -0.00 0.00 0.00 57.90 57.98 1c86 n TYR 124 Cb 0.50 -0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.73 1c86 n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1c86 s TRP 125 N -1.93 2.30 0.18 -3.48 -2.14 -1.26 -5.05 118.94 107.55 1c86 s TRP 125 Ca 0.28 -0.35 -0.30 0.00 2.66 0.00 0.00 56.10 58.39 1c86 s TRP 125 Cb 0.20 -1.09 -0.07 0.00 -3.10 0.00 0.00 33.47 29.40 1c86 s TRP 125 CO 0.30 0.57 1.02 -1.25 -2.66 0.00 0.00 176.95 174.92 1c86 s PRO 126 N -2.93 4.69 0.00 3.25 0.04 -1.26 -4.96 135.00 133.83 1c86 s PRO 126 Ca 0.24 1.59 0.29 0.00 0.04 0.00 0.00 61.00 63.15 1c86 s PRO 126 Cb -0.07 -3.30 1.26 0.00 0.04 0.00 0.00 34.50 32.43 1c86 s PRO 126 CO 0.11 0.23 1.87 1.04 0.04 0.00 0.00 177.00 180.29 1c86 n GLN 127 N 2.23 0.96 -3.48 4.56 6.02 -1.26 -4.56 117.38 121.86 1c86 n GLN 127 Ca 0.01 -0.37 -0.15 0.00 -0.01 0.00 0.00 57.00 56.48 1c86 n GLN 127 Cb 0.47 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 1c86 n GLN 127 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1c86 s LYS 128 N -2.29 1.15 0.28 -1.09 -2.85 -1.26 -5.04 119.74 108.64 1c86 s LYS 128 Ca 0.34 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.27 1c86 s LYS 128 Cb 0.20 0.54 0.58 0.00 -2.06 0.00 0.00 37.83 37.10 1c86 s LYS 128 CO 0.43 -0.43 1.80 0.93 0.10 0.00 0.00 175.35 178.18 1c86 h GLU 129 N 2.57 0.81 0.00 1.78 3.07 -1.92 -1.51 114.58 119.38 1c86 h GLU 129 Ca -0.30 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1c86 h GLU 129 Cb 1.21 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1c86 h GLU 129 CO 0.39 0.53 0.00 0.93 -1.40 0.00 0.00 179.01 179.46 1c86 h GLU 130 N 0.83 0.00 -2.61 2.33 3.07 -1.96 -3.36 114.58 112.88 1c86 h GLU 130 Ca 0.50 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.68 1c86 h GLU 130 Cb 0.62 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.17 1c86 h GLU 130 CO -0.32 0.00 -0.11 1.63 -1.40 0.00 0.00 179.01 178.82 1c86 n LYS 131 N -2.69 3.11 -1.30 2.33 5.02 -0.57 -5.10 118.16 118.97 1c86 n LYS 131 Ca 0.04 -4.61 -0.35 0.00 -2.02 0.00 0.00 58.31 51.37 1c86 n LYS 131 Cb 0.42 -2.36 0.09 0.00 -0.02 0.00 0.00 35.03 33.17 1c86 n LYS 131 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1c86 n GLU 132 N 1.24 0.42 -4.00 1.97 4.71 -1.26 -4.56 120.64 119.17 1c86 n GLU 132 Ca 0.27 0.20 -0.36 0.00 -0.01 0.00 0.00 57.16 57.26 1c86 n GLU 132 Cb 0.38 -2.22 -0.07 0.00 -1.01 0.00 0.00 31.44 28.52 1c86 n GLU 132 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1c86 s MET 133 N -3.42 3.45 -0.14 3.49 -1.94 0.92 -4.95 119.30 116.71 1c86 s MET 133 Ca 0.72 -0.22 0.02 0.00 -1.71 0.00 0.00 55.69 54.50 1c86 s MET 133 Cb -0.33 -3.12 0.01 0.00 2.01 0.00 0.00 34.83 33.40 1c86 s MET 133 CO 0.51 0.67 -0.21 0.42 -0.01 0.00 0.00 175.02 176.40 1c86 s ILE 134 N -0.74 2.11 -0.44 2.53 1.01 -1.26 -0.41 121.20 124.01 1c86 s ILE 134 Ca 0.13 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1c86 s ILE 134 Cb -0.12 -1.85 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1c86 s ILE 134 CO 0.03 0.55 0.34 -0.36 0.00 0.00 0.00 174.94 175.49 1c86 s PHE 135 N 0.86 3.25 0.09 3.97 0.08 -0.05 -4.94 117.98 121.24 1c86 s PHE 135 Ca -0.06 -0.84 -0.16 0.00 0.12 0.00 0.00 56.93 56.00 1c86 s PHE 135 Cb -0.15 -2.89 -0.09 0.00 -0.57 0.00 0.00 43.02 39.32 1c86 s PHE 135 CO -0.03 -0.71 1.43 0.93 -0.10 0.00 0.00 175.22 176.74 1c86 h GLU 136 N 8.67 0.64 -0.80 0.44 5.08 -1.97 0.14 114.58 126.78 1c86 h GLU 136 Ca -0.27 -0.31 0.17 0.00 -1.00 0.00 0.00 59.36 57.95 1c86 h GLU 136 Cb 1.11 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1c86 h GLU 136 CO 0.80 0.91 0.29 0.38 -1.00 0.00 0.00 179.01 180.39 1c86 h ASP 137 N 0.37 0.20 -0.41 1.42 2.03 -1.97 0.12 116.42 118.18 1c86 h ASP 137 Ca 0.05 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1c86 h ASP 137 Cb 0.77 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1c86 h ASP 137 CO 0.06 0.02 0.00 0.35 -1.03 0.00 0.00 179.24 178.64 1c86 n THR 138 N -5.07 1.35 -3.49 1.15 -2.24 -1.18 -4.99 114.28 99.80 1c86 n THR 138 Ca 0.17 -1.19 -0.19 0.00 -2.27 0.00 0.00 64.05 60.57 1c86 n THR 138 Cb 0.51 0.31 0.07 0.00 -2.10 0.00 0.00 70.33 69.12 1c86 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1c86 n ASN 139 N 0.52 -2.75 -4.01 3.42 5.15 0.47 -4.91 115.26 113.15 1c86 n ASN 139 Ca 0.17 -0.72 -0.14 0.00 -0.60 0.00 0.00 54.58 53.29 1c86 n ASN 139 Cb 0.59 -4.74 -0.13 0.00 -0.53 0.00 0.00 39.78 34.98 1c86 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1c86 s LEU 140 N -6.29 2.15 0.06 1.20 2.01 -0.97 -1.89 118.68 114.95 1c86 s LEU 140 Ca 0.10 -0.34 0.09 0.00 0.01 0.00 0.00 54.13 53.99 1c86 s LEU 140 Cb -0.02 -0.18 -0.03 0.00 0.01 0.00 0.00 46.19 45.97 1c86 s LEU 140 CO 0.76 -0.09 -0.24 -0.75 1.01 0.00 0.00 176.35 177.04 1c86 s LYS 141 N -0.93 1.55 -0.05 1.70 2.20 0.58 -0.87 119.74 123.92 1c86 s LYS 141 Ca -0.05 -1.09 0.01 0.00 -0.36 0.00 0.00 55.97 54.48 1c86 s LYS 141 Cb -0.06 -1.75 0.02 0.00 -1.51 0.00 0.00 37.83 34.52 1c86 s LYS 141 CO 0.00 0.44 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.23 1c86 s LEU 142 N -1.37 1.24 -0.03 5.43 2.96 0.45 -0.31 118.68 127.05 1c86 s LEU 142 Ca 0.10 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 1c86 s LEU 142 Cb -0.10 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 1c86 s LEU 142 CO 0.03 -0.07 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.87 1c86 s THR 143 N 1.06 1.76 -0.11 3.68 2.01 -0.65 -0.05 115.64 123.33 1c86 s THR 143 Ca -0.09 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 1c86 s THR 143 Cb -0.14 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1c86 s THR 143 CO -0.01 0.50 1.82 -0.22 -0.69 0.00 0.00 174.62 176.02 1c86 s LEU 144 N -0.42 4.06 -0.16 4.42 2.96 -1.26 -0.33 118.68 127.96 1c86 s LEU 144 Ca 0.06 2.09 0.03 0.00 -0.22 0.00 0.00 54.13 56.09 1c86 s LEU 144 Cb -0.10 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 1c86 s LEU 144 CO 0.00 -1.25 0.20 -0.38 -1.32 0.00 0.00 176.35 173.60 1c86 n ILE 145 N 6.19 1.61 -3.67 6.68 2.08 0.19 -4.39 119.36 128.04 1c86 n ILE 145 Ca 0.21 -0.69 0.02 0.00 0.56 0.00 0.00 62.75 62.85 1c86 n ILE 145 Cb 0.43 -1.33 -0.00 0.00 -0.75 0.00 0.00 39.64 38.00 1c86 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1c86 s SER 146 N -6.49 -0.04 0.16 4.38 1.04 -0.94 -4.99 113.70 106.81 1c86 s SER 146 Ca -0.21 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 1c86 s SER 146 Cb 0.07 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1c86 s SER 146 CO 0.74 -0.29 0.06 -1.83 0.98 0.00 0.00 173.24 172.90 1c86 s GLU 147 N -2.34 1.03 -0.28 4.02 -1.05 -1.26 -0.38 118.70 118.44 1c86 s GLU 147 Ca 0.17 -1.51 -0.01 0.00 -0.15 0.00 0.00 54.97 53.47 1c86 s GLU 147 Cb 0.04 0.11 0.09 0.00 -0.44 0.00 0.00 34.13 33.93 1c86 s GLU 147 CO -0.03 -0.25 0.07 0.34 0.95 0.00 0.00 175.26 176.34 1c86 s ASP 148 N -3.11 3.80 -0.22 0.83 2.15 0.10 -4.96 116.67 115.26 1c86 s ASP 148 Ca 0.27 -1.44 -0.19 0.00 0.43 0.00 0.00 52.55 51.62 1c86 s ASP 148 Cb 0.07 -0.84 -0.03 0.00 -0.30 0.00 0.00 42.92 41.82 1c86 s ASP 148 CO 0.04 -0.38 0.54 -0.63 -0.17 0.00 0.00 175.17 174.57 1c86 s ILE 149 N 1.64 5.08 0.57 4.11 1.01 -1.26 -1.07 121.20 131.28 1c86 s ILE 149 Ca 0.06 0.97 0.07 0.00 0.00 0.00 0.00 60.65 61.75 1c86 s ILE 149 Cb -0.17 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1c86 s ILE 149 CO -0.20 0.14 0.55 -0.54 0.00 0.00 0.00 174.94 174.89 1c86 s LYS 150 N 1.87 2.25 0.29 2.79 -0.14 0.76 -5.00 119.74 122.57 1c86 s LYS 150 Ca 0.24 -1.92 0.12 0.00 -1.36 0.00 0.00 55.97 53.05 1c86 s LYS 150 Cb -0.15 -2.28 0.41 0.00 -1.68 0.00 0.00 37.83 34.13 1c86 s LYS 150 CO 0.09 -0.75 1.63 1.79 -0.76 0.00 0.00 175.35 177.36 1c86 h THR 151 N 0.51 1.34 -0.00 2.17 1.35 -0.33 -3.33 112.91 114.62 1c86 h THR 151 Ca -0.34 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 1c86 h THR 151 Cb 1.30 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1c86 h THR 151 CO 0.51 0.56 -0.01 0.00 -0.25 0.00 0.00 175.52 176.34 1c86 n TYR 152 N -3.76 0.00 -3.62 4.73 0.18 -1.26 -5.00 117.16 108.43 1c86 n TYR 152 Ca -0.01 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.70 1c86 n TYR 152 Cb 0.60 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.54 1c86 n TYR 152 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1c86 s TYR 153 N -0.29 -0.29 -0.01 -3.48 1.13 -1.25 -1.15 117.35 112.00 1c86 s TYR 153 Ca 0.03 0.04 0.01 0.00 -1.41 0.00 0.00 57.07 55.74 1c86 s TYR 153 Cb 0.02 0.60 0.01 0.00 -1.10 0.00 0.00 41.96 41.49 1c86 s TYR 153 CO 0.04 -0.78 -0.01 0.99 -2.51 0.00 0.00 175.55 173.28 1c86 s THR 154 N -3.39 0.14 -0.24 -3.49 2.01 -0.53 -0.17 115.64 109.97 1c86 s THR 154 Ca 0.07 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 1c86 s THR 154 Cb -0.02 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 1c86 s THR 154 CO -0.04 0.08 0.16 -0.69 -0.69 0.00 0.00 174.62 173.44 1c86 s VAL 155 N 0.36 5.30 -0.09 3.82 1.01 -0.23 -1.66 120.40 128.91 1c86 s VAL 155 Ca -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1c86 s VAL 155 Cb -0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1c86 s VAL 155 CO -0.01 0.33 -0.04 -0.13 0.00 0.00 0.00 175.10 175.26 1c86 s ARG 156 N 1.17 3.05 -0.22 2.72 0.52 0.37 0.01 118.95 126.58 1c86 s ARG 156 Ca 0.07 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.67 1c86 s ARG 156 Cb -0.14 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 1c86 s ARG 156 CO 0.05 0.58 0.26 -1.14 0.02 0.00 0.00 175.30 175.07 1c86 s GLN 157 N -0.56 4.14 0.08 3.54 0.74 0.49 -1.24 119.66 126.85 1c86 s GLN 157 Ca 0.09 -0.06 0.10 0.00 0.05 0.00 0.00 55.36 55.54 1c86 s GLN 157 Cb -0.12 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1c86 s GLN 157 CO 0.02 0.06 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.05 1c86 s LEU 158 N 1.04 2.30 -0.18 3.68 1.02 -0.10 0.54 118.68 126.98 1c86 s LEU 158 Ca 0.13 -0.64 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 1c86 s LEU 158 Cb -0.14 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 1c86 s LEU 158 CO 0.05 0.22 -0.04 -0.70 0.02 0.00 0.00 176.35 175.91 1c86 s GLU 159 N -1.65 3.55 -0.18 1.70 2.12 0.56 -1.33 118.70 123.45 1c86 s GLU 159 Ca 0.13 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 54.86 1c86 s GLU 159 Cb -0.10 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 1c86 s GLU 159 CO 0.04 0.05 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.62 1c86 s LEU 160 N 0.86 3.15 -0.17 2.70 0.20 0.37 -1.63 118.68 124.16 1c86 s LEU 160 Ca -0.01 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.60 1c86 s LEU 160 Cb -0.15 -1.78 0.01 0.00 -0.43 0.00 0.00 46.19 43.84 1c86 s LEU 160 CO 0.02 0.09 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.31 1c86 s GLU 161 N 0.82 3.13 -0.81 1.98 2.12 0.57 0.24 118.70 126.74 1c86 s GLU 161 Ca -0.01 -0.78 -0.25 0.00 0.36 0.00 0.00 54.97 54.29 1c86 s GLU 161 Cb -0.14 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1c86 s GLU 161 CO 0.02 -0.10 1.62 1.21 -0.54 0.00 0.00 175.26 177.47 1c86 s ASN 162 N 1.08 5.78 0.64 -1.70 2.47 0.44 -0.30 114.94 123.35 1c86 s ASN 162 Ca -0.00 -0.54 0.31 0.00 0.42 0.00 0.00 52.86 53.05 1c86 s ASN 162 Cb -0.14 -2.55 1.69 0.00 -1.45 0.00 0.00 41.25 38.79 1c86 s ASN 162 CO -0.05 -2.10 2.00 -0.07 -3.72 0.00 0.00 177.10 173.15 1c86 h LEU 163 N 14.93 0.00 0.03 3.21 4.07 -1.65 0.62 115.31 136.52 1c86 h LEU 163 Ca -0.07 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.65 1c86 h LEU 163 Cb 1.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1c86 h LEU 163 CO 1.28 0.00 -1.12 0.71 -1.08 0.00 0.00 178.44 178.24 1c86 h THR 164 N 0.00 1.60 -0.00 0.22 1.35 -1.90 -3.33 112.91 110.85 1c86 h THR 164 Ca 0.06 -3.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 1c86 h THR 164 Cb 0.67 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1c86 h THR 164 CO -0.00 0.93 -0.56 0.35 -0.25 0.00 0.00 175.52 175.98 1c86 n THR 165 N -3.38 0.00 -2.22 6.82 -2.24 -0.69 -4.97 114.28 107.60 1c86 n THR 165 Ca -0.04 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 1c86 n THR 165 Cb 0.97 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 70.20 1c86 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c86 n GLN 166 N -1.16 -1.85 -2.51 -0.78 6.02 0.21 -5.01 117.38 112.29 1c86 n GLN 166 Ca 0.03 0.82 -0.32 0.00 -0.01 0.00 0.00 57.00 57.52 1c86 n GLN 166 Cb 0.21 -5.38 -0.04 0.00 1.02 0.00 0.00 30.24 26.05 1c86 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1c86 s GLU 167 N -4.67 3.97 0.00 -1.09 2.12 -1.20 -4.86 118.70 112.97 1c86 s GLU 167 Ca 0.00 0.92 0.04 0.00 0.36 0.00 0.00 54.97 56.29 1c86 s GLU 167 Cb 0.00 -2.17 -0.01 0.00 0.26 0.00 0.00 34.13 32.21 1c86 s GLU 167 CO 0.00 -0.21 -0.11 0.99 -0.54 0.00 0.00 175.26 175.38 1c86 s THR 168 N -2.53 0.90 0.03 -1.70 2.01 -1.26 -0.42 115.64 112.67 1c86 s THR 168 Ca 0.58 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1c86 s THR 168 Cb -0.10 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1c86 s THR 168 CO 0.29 0.17 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.21 1c86 s ARG 169 N -0.49 0.37 -0.06 4.92 0.52 0.14 -4.96 118.95 119.39 1c86 s ARG 169 Ca 0.03 -0.62 -0.21 0.00 -0.52 0.00 0.00 55.73 54.42 1c86 s ARG 169 Cb -0.05 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 1c86 s ARG 169 CO -0.00 -0.01 0.60 -2.00 0.02 0.00 0.00 175.30 173.90 1c86 s GLU 170 N -1.39 4.36 -0.12 3.54 2.12 -1.26 -0.48 118.70 125.47 1c86 s GLU 170 Ca -0.13 0.70 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1c86 s GLU 170 Cb -0.09 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1c86 s GLU 170 CO -0.00 0.21 -0.11 0.42 -0.54 0.00 0.00 175.26 175.24 1c86 s ILE 171 N 0.37 3.30 -0.13 -3.70 -1.09 -0.44 -4.83 121.20 114.68 1c86 s ILE 171 Ca 0.32 -0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 58.02 1c86 s ILE 171 Cb -0.17 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.28 1c86 s ILE 171 CO 0.15 0.54 0.28 -0.76 -1.23 0.00 0.00 174.94 173.92 1c86 s LEU 172 N 0.05 4.31 -0.27 2.97 1.02 -0.49 -0.93 118.68 125.34 1c86 s LEU 172 Ca -0.03 0.57 -0.04 0.00 0.02 0.00 0.00 54.13 54.64 1c86 s LEU 172 Cb -0.14 -2.34 0.02 0.00 0.02 0.00 0.00 46.19 43.75 1c86 s LEU 172 CO 0.04 0.20 -0.00 -2.28 0.02 0.00 0.00 176.35 174.33 1c86 s HIS 173 N -0.11 3.10 -0.37 0.29 2.46 -0.37 -0.10 115.29 120.19 1c86 s HIS 173 Ca 0.17 -1.31 -0.11 0.00 0.47 0.00 0.00 55.06 54.27 1c86 s HIS 173 Cb -0.13 -2.14 0.02 0.00 -0.13 0.00 0.00 32.58 30.20 1c86 s HIS 173 CO 0.05 -0.66 0.21 -0.06 -2.47 0.00 0.00 174.74 171.81 1c86 s PHE 174 N 1.40 3.24 -0.30 3.88 0.40 -0.09 -0.47 117.98 126.02 1c86 s PHE 174 Ca 0.01 -0.86 -0.06 0.00 -0.60 0.00 0.00 56.93 55.41 1c86 s PHE 174 Cb -0.17 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 40.93 1c86 s PHE 174 CO -0.02 -0.62 0.08 -1.58 0.70 0.00 0.00 175.22 173.79 1c86 s HIS 175 N 1.58 3.17 -0.25 0.36 2.46 -0.66 -0.56 115.29 121.39 1c86 s HIS 175 Ca 0.03 -1.11 -0.19 0.00 0.47 0.00 0.00 55.06 54.25 1c86 s HIS 175 Cb -0.19 -2.25 -0.02 0.00 -0.13 0.00 0.00 32.58 29.99 1c86 s HIS 175 CO 0.07 -0.62 0.59 -0.47 -2.47 0.00 0.00 174.74 171.84 1c86 s TYR 176 N 1.47 3.29 -0.29 3.88 6.14 -0.25 -1.45 117.35 130.14 1c86 s TYR 176 Ca 0.01 0.77 0.07 0.00 0.64 0.00 0.00 57.07 58.57 1c86 s TYR 176 Cb -0.18 -2.79 0.18 0.00 0.42 0.00 0.00 41.96 39.60 1c86 s TYR 176 CO 0.02 -0.28 1.13 0.25 0.64 0.00 0.00 175.55 177.32 1c86 n THR 177 N 5.08 1.26 -1.68 4.34 -2.24 -0.30 -3.73 114.28 117.00 1c86 n THR 177 Ca -0.02 -1.28 0.05 0.00 -2.27 0.00 0.00 64.05 60.53 1c86 n THR 177 Cb 0.49 0.32 0.08 0.00 -2.10 0.00 0.00 70.33 69.12 1c86 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1c86 n THR 178 N -0.37 0.94 -3.38 4.28 -2.24 -1.23 -4.88 114.28 107.39 1c86 n THR 178 Ca 0.08 -1.32 -0.44 0.00 -2.27 0.00 0.00 64.05 60.10 1c86 n THR 178 Cb 0.42 0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 1c86 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1c86 s TRP 179 N -1.41 3.21 0.37 4.78 -0.11 -1.26 -4.62 118.94 119.90 1c86 s TRP 179 Ca 0.20 -0.67 -0.28 0.00 1.22 0.00 0.00 56.10 56.57 1c86 s TRP 179 Cb 0.19 -2.93 -0.10 0.00 -1.50 0.00 0.00 33.47 29.13 1c86 s TRP 179 CO -0.02 -0.72 1.40 -2.14 -4.62 0.00 0.00 176.95 170.85 1c86 s PRO 180 N 1.83 4.17 0.33 5.86 0.02 -1.26 -4.80 135.00 141.15 1c86 s PRO 180 Ca 0.07 2.39 -0.28 0.00 0.02 0.00 0.00 61.00 63.20 1c86 s PRO 180 Cb -0.21 -2.97 -0.13 0.00 0.02 0.00 0.00 34.50 31.22 1c86 s PRO 180 CO 0.10 -0.41 1.26 -3.47 -0.33 0.00 0.00 177.00 174.15 1c86 n ASP 181 N 0.52 2.60 -1.66 2.53 -0.08 -1.26 -0.01 116.55 119.19 1c86 n ASP 181 Ca 0.01 1.20 -0.15 0.00 -1.51 0.00 0.00 54.79 54.34 1c86 n ASP 181 Cb 0.41 -1.46 -0.05 0.00 2.34 0.00 0.00 41.12 42.35 1c86 n ASP 181 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1c86 n PHE 182 N 0.40 -0.49 -3.95 -0.67 3.72 -1.26 -4.94 117.46 110.26 1c86 n PHE 182 Ca 0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.39 1c86 n PHE 182 Cb 0.35 -2.91 -0.01 0.00 -0.94 0.00 0.00 39.48 35.98 1c86 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c86 n GLY 183 N -0.42 3.66 3.55 1.37 0.00 0.99 -4.92 105.19 109.41 1c86 n GLY 183 Ca -0.16 -2.23 -0.24 0.00 0.00 0.00 0.00 46.02 43.39 1c86 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c86 s VAL 184 N -1.11 2.58 0.97 1.61 -7.23 -1.26 -4.76 120.40 111.20 1c86 s VAL 184 Ca 0.03 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 57.89 1c86 s VAL 184 Cb -0.00 -2.57 0.18 0.00 0.56 0.00 0.00 36.38 34.55 1c86 s VAL 184 CO 0.02 -0.30 1.10 -2.84 -0.31 0.00 0.00 175.10 172.76 1c86 s PRO 185 N -3.60 0.57 0.36 4.82 0.02 -1.26 -4.30 135.00 131.61 1c86 s PRO 185 Ca 0.32 1.24 0.03 0.00 0.02 0.00 0.00 61.00 62.61 1c86 s PRO 185 Cb -0.02 -1.70 0.67 0.00 0.02 0.00 0.00 34.50 33.47 1c86 s PRO 185 CO 0.17 -2.83 2.01 0.93 -0.33 0.00 0.00 177.00 176.94 1c86 h GLU 186 N -2.00 0.80 -3.26 5.54 5.08 -1.99 -3.45 114.58 115.30 1c86 h GLU 186 Ca -0.49 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1c86 h GLU 186 Cb 1.29 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1c86 h GLU 186 CO 0.46 0.53 0.05 -1.54 -1.00 0.00 0.00 179.01 177.51 1c86 s SER 187 N -6.44 -0.31 0.46 1.42 1.04 -1.26 -4.98 113.70 103.63 1c86 s SER 187 Ca -0.10 -0.38 0.18 0.00 0.48 0.00 0.00 55.95 56.13 1c86 s SER 187 Cb 0.18 0.57 1.14 0.00 0.10 0.00 0.00 66.02 68.01 1c86 s SER 187 CO 0.76 -1.02 1.96 -0.65 0.98 0.00 0.00 173.24 175.27 1c86 h PRO 188 N 2.18 0.29 -0.18 4.02 0.11 -1.94 -2.23 132.00 134.26 1c86 h PRO 188 Ca -0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1c86 h PRO 188 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1c86 h PRO 188 CO 0.38 0.19 0.02 0.00 -0.21 0.00 0.00 178.00 178.38 1c86 h ALA 189 N 1.69 0.24 -0.01 -0.75 0.00 -1.93 -1.00 119.26 117.50 1c86 h ALA 189 Ca 0.31 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1c86 h ALA 189 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1c86 h ALA 189 CO -0.07 -0.07 -0.64 0.66 0.00 0.00 0.00 179.25 179.12 1c86 h SER 190 N 0.08 0.04 0.02 0.00 4.64 -1.77 0.12 113.55 116.67 1c86 h SER 190 Ca 0.05 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1c86 h SER 190 Cb 0.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1c86 h SER 190 CO 0.01 0.67 -0.01 0.15 -0.87 0.00 0.00 176.83 176.78 1c86 h PHE 191 N 0.02 -0.02 -0.34 4.77 3.57 -1.22 -0.86 116.94 122.86 1c86 h PHE 191 Ca -0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1c86 h PHE 191 Cb 1.14 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1c86 h PHE 191 CO 0.00 0.09 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.05 1c86 h LEU 192 N -0.13 0.53 -0.13 0.59 3.38 -1.06 0.24 115.31 118.74 1c86 h LEU 192 Ca -0.00 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1c86 h LEU 192 Cb 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1c86 h LEU 192 CO 0.00 0.65 -0.18 -1.13 0.09 0.00 0.00 178.44 177.87 1c86 h ASN 193 N 0.52 -0.56 -0.47 -0.43 -1.24 -0.61 0.57 115.58 113.38 1c86 h ASN 193 Ca 0.10 0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 1c86 h ASN 193 Cb 0.43 0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1c86 h ASN 193 CO 0.02 -0.23 0.18 0.15 -1.29 0.00 0.00 177.43 176.26 1c86 h PHE 194 N -0.23 0.72 -0.78 0.67 3.57 -0.55 -0.73 116.94 119.61 1c86 h PHE 194 Ca 0.10 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1c86 h PHE 194 Cb 0.37 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1c86 h PHE 194 CO -0.29 0.62 0.36 1.25 -2.23 0.00 0.00 178.31 178.01 1c86 h LEU 195 N 0.61 1.03 -0.30 0.59 5.85 -0.17 -2.31 115.31 120.61 1c86 h LEU 195 Ca 0.15 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.54 1c86 h LEU 195 Cb 0.21 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1c86 h LEU 195 CO -0.01 0.88 -0.78 -0.26 -0.34 0.00 0.00 178.44 177.92 1c86 h PHE 196 N 1.11 0.70 -0.98 1.25 -1.00 -0.81 -0.05 116.94 117.17 1c86 h PHE 196 Ca 0.27 -0.32 0.16 0.00 2.81 0.00 0.00 57.97 60.88 1c86 h PHE 196 Cb 0.14 -0.10 -0.10 0.00 3.61 0.00 0.00 35.95 39.50 1c86 h PHE 196 CO 0.01 1.11 0.60 -0.22 -1.61 0.00 0.00 178.31 178.20 1c86 h LYS 197 N 0.34 0.81 0.09 1.51 1.63 -0.78 0.32 116.57 120.48 1c86 h LYS 197 Ca -0.05 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1c86 h LYS 197 Cb 1.38 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1c86 h LYS 197 CO 0.14 0.54 -0.04 0.28 -3.45 0.00 0.00 179.45 176.92 1c86 h VAL 198 N 0.84 1.06 0.02 2.00 2.07 -0.85 -2.40 116.25 119.00 1c86 h VAL 198 Ca 0.53 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1c86 h VAL 198 Cb 0.70 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1c86 h VAL 198 CO -0.33 0.13 -0.18 0.03 0.02 0.00 0.00 177.57 177.24 1c86 h ARG 199 N -0.37 -0.29 -0.35 1.57 3.08 -0.64 -1.64 114.38 115.74 1c86 h ARG 199 Ca -0.01 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.16 1c86 h ARG 199 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1c86 h ARG 199 CO 0.02 -0.19 0.31 0.93 -1.07 0.00 0.00 179.97 179.97 1c86 h GLU 200 N -0.30 0.00 0.00 0.04 5.08 -0.94 -1.43 114.58 117.02 1c86 h GLU 200 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1c86 h GLU 200 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1c86 h GLU 200 CO -0.16 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.72 1c86 n SER 201 N -4.02 0.00 0.00 1.42 3.41 -0.62 -4.85 113.62 108.97 1c86 n SER 201 Ca 0.06 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1c86 n SER 201 Cb 0.48 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1c86 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c86 n GLY 202 N -0.33 2.64 0.19 5.00 0.00 -0.54 -4.94 105.19 107.22 1c86 n GLY 202 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1c86 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1c86 h SER 203 N 0.00 0.00 0.78 1.61 0.02 -1.77 -1.79 113.55 112.41 1c86 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c86 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1c86 h SER 203 CO 0.00 0.00 -0.08 0.18 -1.14 0.00 0.00 176.83 175.79 1c86 n LEU 204 N -2.70 0.11 -4.78 5.07 4.77 -1.26 -4.28 117.00 113.94 1c86 n LEU 204 Ca 0.03 0.34 -0.37 0.00 -0.03 0.00 0.00 56.01 55.97 1c86 n LEU 204 Cb 0.35 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1c86 n LEU 204 CO 0.27 0.03 0.76 -0.44 -1.33 0.00 0.00 177.39 176.67 1c86 s SER 205 N -2.85 6.78 0.01 -1.43 0.01 -0.67 -4.90 113.70 110.65 1c86 s SER 205 Ca 0.18 2.12 0.20 0.00 1.31 0.00 0.00 55.95 59.76 1c86 s SER 205 Cb 0.19 -2.60 0.84 0.00 0.21 0.00 0.00 66.02 64.66 1c86 s SER 205 CO 0.53 -0.48 1.63 -0.81 0.41 0.00 0.00 173.24 174.53 1c86 n PRO 206 N 0.12 0.01 0.20 12.44 -0.04 -1.26 -0.77 135.00 145.70 1c86 n PRO 206 Ca 0.04 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 1c86 n PRO 206 Cb 0.48 -1.51 0.69 0.00 -0.04 0.00 0.00 33.50 33.12 1c86 n PRO 206 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1c86 h GLU 207 N 0.00 0.00 -6.29 0.54 9.09 -1.95 -3.44 114.58 112.52 1c86 h GLU 207 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.96 1c86 h GLU 207 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 1c86 h GLU 207 CO 0.00 0.00 -0.36 -1.01 0.05 0.00 0.00 179.01 177.69 1c86 s HIS 208 N -3.61 3.26 1.10 2.06 3.76 0.05 -5.11 115.29 116.81 1c86 s HIS 208 Ca -0.01 -0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 1c86 s HIS 208 Cb 0.09 -1.84 0.06 0.00 1.11 0.00 0.00 32.58 31.99 1c86 s HIS 208 CO 0.32 0.15 -0.22 0.41 -0.85 0.00 0.00 174.74 174.56 1c86 n GLY 209 N -1.58 -2.58 3.76 -2.22 0.00 0.59 -4.90 105.19 98.27 1c86 n GLY 209 Ca -0.04 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1c86 n GLY 209 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c86 s PRO 210 N -3.23 4.30 0.18 1.61 0.04 -1.26 -4.48 135.00 132.17 1c86 s PRO 210 Ca 0.53 2.27 -0.33 0.00 0.04 0.00 0.00 61.00 63.51 1c86 s PRO 210 Cb -0.09 -3.08 -0.15 0.00 0.04 0.00 0.00 34.50 31.22 1c86 s PRO 210 CO 0.66 -0.31 1.36 1.55 0.04 0.00 0.00 177.00 180.30 1c86 n VAL 211 N 1.44 0.59 -2.48 -0.36 3.14 -1.26 -4.49 118.33 114.91 1c86 n VAL 211 Ca 0.03 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 1c86 n VAL 211 Cb 0.41 -1.20 -0.02 0.00 -1.06 0.00 0.00 33.84 31.97 1c86 n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1c86 s VAL 212 N 0.18 4.25 -0.11 1.55 1.01 -1.04 -0.73 120.40 125.51 1c86 s VAL 212 Ca 0.74 1.42 0.01 0.00 0.00 0.00 0.00 61.98 64.15 1c86 s VAL 212 Cb -0.76 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.39 1c86 s VAL 212 CO 0.48 -0.45 -0.12 -0.69 0.00 0.00 0.00 175.10 174.32 1c86 s VAL 213 N 4.11 3.21 0.03 2.92 1.01 0.90 -0.34 120.40 132.24 1c86 s VAL 213 Ca 0.53 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1c86 s VAL 213 Cb -0.16 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1c86 s VAL 213 CO 0.20 0.55 0.15 -1.38 0.00 0.00 0.00 175.10 174.62 1c86 s HIS 214 N -0.05 0.10 0.00 5.22 -3.43 0.08 -1.97 115.29 115.24 1c86 s HIS 214 Ca -0.02 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 1c86 s HIS 214 Cb -0.14 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 1c86 s HIS 214 CO 0.04 -0.37 0.00 0.00 -2.00 0.00 0.00 174.74 172.41 1c86 h SER 216 N 0.00 0.00 0.97 0.00 0.87 -1.88 -1.98 113.55 111.53 1c86 h SER 216 Ca 0.00 -0.78 -0.03 0.00 -1.23 0.00 0.00 61.79 59.75 1c86 h SER 216 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1c86 h SER 216 CO 0.00 0.97 -1.05 0.00 -0.53 0.00 0.00 176.83 176.22 1c86 h ALA 217 N -0.22 0.54 0.00 6.23 0.00 -1.89 0.21 119.26 124.13 1c86 h ALA 217 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1c86 h ALA 217 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1c86 h ALA 217 CO -0.02 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1c86 n GLY 218 N 1.22 0.64 0.70 0.00 0.00 -1.21 -3.83 105.19 102.71 1c86 n GLY 218 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1c86 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1c86 n ILE 219 N -3.11 0.00 0.00 -0.61 -5.35 -1.26 -4.41 119.36 104.62 1c86 n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1c86 n ILE 219 Cb 0.23 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1c86 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c86 n GLY 220 N 1.52 -0.91 0.33 3.28 0.00 -1.26 -0.92 105.19 107.23 1c86 n GLY 220 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1c86 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c86 h ARG 221 N 0.00 1.09 -0.80 1.61 3.08 -1.95 -2.50 114.38 114.90 1c86 h ARG 221 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1c86 h ARG 221 Cb 0.00 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 1c86 h ARG 221 CO 0.00 0.72 0.48 0.77 -1.07 0.00 0.00 179.97 180.87 1c86 h SER 222 N 1.12 0.97 -0.56 7.04 0.02 -1.88 -1.55 113.55 118.72 1c86 h SER 222 Ca 0.34 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1c86 h SER 222 Cb -0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1c86 h SER 222 CO -0.10 0.76 0.16 1.23 -1.14 0.00 0.00 176.83 177.73 1c86 h GLY 223 N 1.10 0.94 0.54 -3.77 0.00 -1.23 -1.22 103.07 99.43 1c86 h GLY 223 Ca 0.29 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1c86 h GLY 223 CO -0.05 0.54 -0.29 -0.84 0.00 0.00 0.00 176.54 175.89 1c86 h THR 224 N 0.78 0.38 -0.26 4.70 2.02 -1.28 0.35 112.91 119.60 1c86 h THR 224 Ca 0.18 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1c86 h THR 224 Cb 0.31 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 1c86 h THR 224 CO -0.00 0.00 -0.47 0.15 0.37 0.00 0.00 175.52 175.57 1c86 h PHE 225 N -0.53 -1.37 -0.80 3.16 3.57 -1.24 -2.67 116.94 117.05 1c86 h PHE 225 Ca 0.02 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1c86 h PHE 225 Cb 0.54 0.64 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1c86 h PHE 225 CO -0.24 -0.48 0.43 0.00 -2.23 0.00 0.00 178.31 175.79 1c86 h LEU 227 N 1.11 -0.19 -0.30 0.00 5.85 -0.18 -1.67 115.31 119.94 1c86 h LEU 227 Ca 0.28 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1c86 h LEU 227 Cb 0.04 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1c86 h LEU 227 CO -0.04 -0.10 -0.15 0.00 -0.34 0.00 0.00 178.44 177.81 1c86 h ALA 228 N 0.57 0.08 0.23 1.25 0.00 -1.45 0.29 119.26 120.23 1c86 h ALA 228 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1c86 h ALA 228 Cb 0.20 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1c86 h ALA 228 CO 0.04 -0.55 -0.29 0.22 0.00 0.00 0.00 179.25 178.67 1c86 h ASP 229 N -0.11 -0.80 -0.72 0.00 3.58 -0.83 -1.68 116.42 115.85 1c86 h ASP 229 Ca 0.16 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1c86 h ASP 229 Cb 0.35 0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1c86 h ASP 229 CO -0.37 -0.40 0.40 0.74 -2.88 0.00 0.00 179.24 176.73 1c86 h THR 230 N -0.58 1.22 -0.85 2.25 2.02 -1.28 0.71 112.91 116.40 1c86 h THR 230 Ca 0.00 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.69 1c86 h THR 230 Cb 0.55 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1c86 h THR 230 CO -0.10 0.24 0.54 0.00 0.37 0.00 0.00 175.52 176.57 1c86 h LEU 232 N 1.02 1.07 -0.06 0.00 3.38 -0.75 -1.04 115.31 118.93 1c86 h LEU 232 Ca 0.35 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1c86 h LEU 232 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1c86 h LEU 232 CO -0.14 1.03 0.04 0.25 0.09 0.00 0.00 178.44 179.70 1c86 h LEU 233 N 1.06 0.07 0.13 1.67 6.46 0.48 -0.31 115.31 124.87 1c86 h LEU 233 Ca 0.22 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1c86 h LEU 233 Cb 0.37 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1c86 h LEU 233 CO 0.00 0.05 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.71 1c86 h LEU 234 N 0.08 -0.22 -0.99 2.25 4.07 -0.70 0.36 115.31 120.16 1c86 h LEU 234 Ca 0.02 0.02 0.25 0.00 0.08 0.00 0.00 57.88 58.25 1c86 h LEU 234 Cb -0.01 0.07 -0.13 0.00 1.08 0.00 0.00 40.66 41.68 1c86 h LEU 234 CO -0.00 -0.14 0.57 -0.03 -1.08 0.00 0.00 178.44 177.75 1c86 h MET 235 N -0.22 0.53 -0.12 1.13 4.05 -1.10 -2.60 114.93 116.59 1c86 h MET 235 Ca -0.01 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1c86 h MET 235 Cb 0.19 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1c86 h MET 235 CO 0.00 0.35 -0.15 0.22 0.23 0.00 0.00 176.91 177.56 1c86 h ASP 236 N 0.54 0.34 0.42 1.39 3.58 0.13 0.47 116.42 123.29 1c86 h ASP 236 Ca 0.64 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1c86 h ASP 236 Cb 1.24 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1c86 h ASP 236 CO -0.49 0.78 0.00 2.29 -2.88 0.00 0.00 179.24 178.94 1c86 n LYS 237 N -4.57 0.00 -0.00 0.28 2.85 0.00 -1.85 118.16 114.88 1c86 n LYS 237 Ca -0.07 0.29 0.05 0.00 -1.05 0.00 0.00 58.31 57.53 1c86 n LYS 237 Cb 0.37 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.19 1c86 n LYS 237 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1c86 n ARG 238 N -1.50 2.20 -3.97 -1.58 1.85 -1.07 -4.98 116.66 107.61 1c86 n ARG 238 Ca 0.03 -0.04 -0.28 0.00 -1.00 0.00 0.00 57.85 56.56 1c86 n ARG 238 Cb 0.14 -1.08 -0.01 0.00 -1.05 0.00 0.00 32.46 30.46 1c86 n ARG 238 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1c86 n LYS 239 N -1.51 -3.85 -3.40 2.89 4.76 0.16 -4.96 118.16 112.24 1c86 n LYS 239 Ca 0.00 0.46 -0.26 0.00 -2.87 0.00 0.00 58.31 55.64 1c86 n LYS 239 Cb 0.20 -4.90 -0.10 0.00 -1.84 0.00 0.00 35.03 28.38 1c86 n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1c86 s ASP 240 N -3.95 1.91 0.63 4.39 -1.08 -0.55 -4.99 116.67 113.02 1c86 s ASP 240 Ca 0.28 -2.58 0.29 0.00 -0.52 0.00 0.00 52.55 50.02 1c86 s ASP 240 Cb -0.15 -0.28 1.52 0.00 -1.46 0.00 0.00 42.92 42.55 1c86 s ASP 240 CO 0.88 -0.23 1.89 -0.65 0.52 0.00 0.00 175.17 177.58 1c86 h PRO 241 N 6.26 0.00 -0.00 4.34 0.11 -1.93 -1.91 132.00 138.87 1c86 h PRO 241 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1c86 h PRO 241 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1c86 h PRO 241 CO 0.30 0.00 -0.40 0.43 -0.21 0.00 0.00 178.00 178.12 1c86 n SER 242 N -3.31 0.77 -0.63 -2.05 7.64 -1.26 -2.50 113.62 112.28 1c86 n SER 242 Ca 0.03 -0.57 0.08 0.00 1.01 0.00 0.00 58.87 59.42 1c86 n SER 242 Cb 0.53 0.22 0.26 0.00 -1.01 0.00 0.00 64.21 64.22 1c86 n SER 242 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1c86 n SER 243 N -1.10 1.85 -4.53 6.43 3.41 -0.72 -4.78 113.62 114.19 1c86 n SER 243 Ca 0.09 -1.87 -0.36 0.00 -0.26 0.00 0.00 58.87 56.47 1c86 n SER 243 Cb 0.34 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1c86 n SER 243 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1c86 s VAL 244 N -1.64 4.66 -0.50 -3.33 -7.23 -1.04 -5.00 120.40 106.32 1c86 s VAL 244 Ca 0.28 -0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.27 1c86 s VAL 244 Cb 0.15 -3.16 0.12 0.00 0.56 0.00 0.00 36.38 34.05 1c86 s VAL 244 CO 0.21 0.35 0.41 -0.62 -0.31 0.00 0.00 175.10 175.14 1c86 s ASP 245 N 1.29 5.92 0.15 4.85 -1.08 -1.26 -4.84 116.67 121.70 1c86 s ASP 245 Ca 0.05 -1.81 -0.16 0.00 -0.52 0.00 0.00 52.55 50.11 1c86 s ASP 245 Cb -0.15 -2.10 0.02 0.00 -1.46 0.00 0.00 42.92 39.24 1c86 s ASP 245 CO 0.04 -0.75 1.79 0.40 0.52 0.00 0.00 175.17 177.17 1c86 h ILE 246 N 6.01 1.04 -0.24 4.11 2.04 -1.99 -0.32 117.51 128.17 1c86 h ILE 246 Ca -0.25 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.34 1c86 h ILE 246 Cb 1.09 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1c86 h ILE 246 CO 0.93 0.08 -0.36 0.11 0.00 0.00 0.00 178.15 178.91 1c86 h LYS 247 N 0.43 0.52 -0.45 2.37 1.57 -2.00 -0.96 116.57 118.05 1c86 h LYS 247 Ca 0.15 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1c86 h LYS 247 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1c86 h LYS 247 CO -0.07 0.80 0.04 -0.22 -0.57 0.00 0.00 179.45 179.43 1c86 h LYS 248 N 0.44 0.78 -0.86 3.15 3.64 -1.95 -0.86 116.57 120.90 1c86 h LYS 248 Ca 0.05 -0.23 0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1c86 h LYS 248 Cb 0.83 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 1c86 h LYS 248 CO 0.07 0.81 0.53 -0.24 -2.27 0.00 0.00 179.45 178.35 1c86 h VAL 249 N 0.63 1.03 -0.31 2.00 3.04 -0.76 0.62 116.25 122.50 1c86 h VAL 249 Ca 0.13 -0.33 0.01 0.00 -1.01 0.00 0.00 66.70 65.51 1c86 h VAL 249 Cb 0.44 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.68 1c86 h VAL 249 CO 0.02 0.18 0.18 0.25 -1.01 0.00 0.00 177.57 177.18 1c86 h LEU 250 N 0.96 0.30 -0.46 3.16 5.85 -0.81 -0.70 115.31 123.60 1c86 h LEU 250 Ca 0.38 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.16 1c86 h LEU 250 Cb 0.18 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1c86 h LEU 250 CO -0.18 0.22 0.17 -0.07 -0.34 0.00 0.00 178.44 178.24 1c86 h LEU 251 N 0.37 0.19 -0.41 2.25 4.07 -0.94 0.22 115.31 121.07 1c86 h LEU 251 Ca 0.12 0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.21 1c86 h LEU 251 Cb -0.00 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.70 1c86 h LEU 251 CO -0.06 0.14 0.02 -0.78 -1.08 0.00 0.00 178.44 176.68 1c86 h ASP 252 N 0.35 -0.14 -0.74 -0.43 3.58 -0.47 -2.37 116.42 116.21 1c86 h ASP 252 Ca 0.22 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.77 1c86 h ASP 252 Cb 0.21 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1c86 h ASP 252 CO -0.21 -0.03 0.49 0.24 -2.88 0.00 0.00 179.24 176.84 1c86 h MET 253 N 0.13 0.95 0.00 0.28 2.86 -0.28 -2.04 114.93 116.83 1c86 h MET 253 Ca 0.20 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1c86 h MET 253 Cb 0.28 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1c86 h MET 253 CO -0.33 0.63 0.00 0.54 1.06 0.00 0.00 176.91 178.82 1c86 n ARG 254 N -4.58 0.27 0.30 1.72 1.74 0.70 -1.06 116.66 115.75 1c86 n ARG 254 Ca 0.07 0.11 0.19 0.00 -0.77 0.00 0.00 57.85 57.46 1c86 n ARG 254 Cb 0.03 -1.50 0.93 0.00 -1.02 0.00 0.00 32.46 30.91 1c86 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1c86 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -0.87 -3.33 116.57 119.50 1c86 h LYS 255 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1c86 h LYS 255 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1c86 h LYS 255 CO 0.00 0.02 -1.39 1.19 -0.57 0.00 0.00 179.45 178.70 1c86 n PHE 256 N -3.18 0.00 -3.67 -1.35 3.72 -0.23 -4.97 117.46 107.79 1c86 n PHE 256 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1c86 n PHE 256 Cb 0.19 -0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 1c86 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1c86 s ARG 257 N -2.38 0.68 0.52 -1.08 3.52 -1.08 -4.70 118.95 114.43 1c86 s ARG 257 Ca -0.03 0.84 -0.22 0.00 -0.13 0.00 0.00 55.73 56.20 1c86 s ARG 257 Cb 0.04 0.31 -0.06 0.00 -1.56 0.00 0.00 34.95 33.68 1c86 s ARG 257 CO 0.30 -0.09 1.24 0.00 -0.81 0.00 0.00 175.30 175.94 1c86 s MET 258 N 0.44 3.40 0.00 5.12 0.23 -1.26 -4.17 119.30 123.06 1c86 s MET 258 Ca -0.01 1.93 0.00 0.00 -1.03 0.00 0.00 55.69 56.58 1c86 s MET 258 Cb -0.04 -2.26 0.00 0.00 -1.53 0.00 0.00 34.83 31.00 1c86 s MET 258 CO -0.01 -0.89 0.00 0.41 -2.03 0.00 0.00 175.02 172.50 1c86 n GLY 259 N 0.54 0.81 3.64 3.16 0.00 -1.26 -4.87 105.19 107.21 1c86 n GLY 259 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 1c86 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c86 n LEU 260 N 0.00 3.14 -1.18 0.99 4.77 -1.26 -4.02 117.00 119.43 1c86 n LEU 260 Ca 0.00 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1c86 n LEU 260 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 1c86 n LEU 260 CO 0.00 -0.25 -0.11 -0.38 -1.33 0.00 0.00 177.39 175.32 1c86 n ILE 261 N 5.73 -4.64 0.01 -0.08 5.41 -0.10 -4.92 119.36 120.77 1c86 n ILE 261 Ca 0.27 0.74 0.04 0.00 1.00 0.00 0.00 62.75 64.80 1c86 n ILE 261 Cb 0.29 -3.47 -0.10 0.00 -0.71 0.00 0.00 39.64 35.65 1c86 n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1c86 n GLN 262 N 0.42 0.64 -4.29 0.38 1.13 -1.26 -4.92 117.38 109.49 1c86 n GLN 262 Ca 0.00 0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.94 1c86 n GLN 262 Cb 0.00 -1.68 -0.10 0.00 0.11 0.00 0.00 30.24 28.57 1c86 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1c86 s THR 263 N -3.13 0.75 0.20 5.09 -4.23 -1.26 -5.05 115.64 108.01 1c86 s THR 263 Ca -0.05 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.68 1c86 s THR 263 Cb 0.10 -2.35 0.20 0.00 1.34 0.00 0.00 72.50 71.79 1c86 s THR 263 CO 0.84 -0.28 1.83 0.00 -0.54 0.00 0.00 174.62 176.47 1c86 h ALA 264 N 2.53 1.07 -0.13 3.99 0.00 -1.94 -2.87 119.26 121.90 1c86 h ALA 264 Ca -0.38 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1c86 h ALA 264 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1c86 h ALA 264 CO 0.63 0.34 -0.50 0.22 0.00 0.00 0.00 179.25 179.94 1c86 h ASP 265 N 0.00 0.39 -0.55 0.00 3.58 -1.97 -1.24 116.42 116.63 1c86 h ASP 265 Ca -0.00 -0.19 0.06 0.00 0.42 0.00 0.00 57.03 57.32 1c86 h ASP 265 Cb 0.74 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1c86 h ASP 265 CO 0.04 0.82 0.25 1.56 -2.88 0.00 0.00 179.24 179.03 1c86 h GLN 266 N 0.28 0.46 -0.00 0.28 4.20 -1.81 0.59 115.11 119.11 1c86 h GLN 266 Ca 0.01 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1c86 h GLN 266 Cb 0.98 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1c86 h GLN 266 CO 0.08 0.30 -0.14 1.25 -0.67 0.00 0.00 178.83 179.66 1c86 h LEU 267 N 0.47 -0.41 -0.54 1.46 5.85 -1.37 0.12 115.31 120.89 1c86 h LEU 267 Ca 0.26 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1c86 h LEU 267 Cb 0.23 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1c86 h LEU 267 CO -0.21 -0.20 0.23 -0.09 -0.34 0.00 0.00 178.44 177.83 1c86 h ARG 268 N -0.24 0.80 -0.83 1.25 2.43 -1.12 -0.52 114.38 116.16 1c86 h ARG 268 Ca 0.05 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1c86 h ARG 268 Cb 0.30 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1c86 h ARG 268 CO -0.14 0.69 0.52 0.35 -1.51 0.00 0.00 179.97 179.88 1c86 h PHE 269 N 0.73 0.98 -0.79 2.20 3.57 0.49 -2.01 116.94 122.11 1c86 h PHE 269 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1c86 h PHE 269 Cb 0.17 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1c86 h PHE 269 CO 0.00 0.55 0.47 0.77 -2.23 0.00 0.00 178.31 177.87 1c86 h SER 270 N 1.01 0.96 -0.81 0.41 0.02 0.57 0.14 113.55 115.83 1c86 h SER 270 Ca 0.34 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 1c86 h SER 270 Cb 0.05 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 1c86 h SER 270 CO -0.13 0.74 0.52 1.88 -1.14 0.00 0.00 176.83 178.70 1c86 h TYR 271 N 1.09 0.97 0.03 3.45 -1.99 -0.88 -2.22 116.97 117.41 1c86 h TYR 271 Ca 0.28 0.03 0.01 0.00 2.00 0.00 0.00 58.73 61.05 1c86 h TYR 271 Cb -0.03 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.37 1c86 h TYR 271 CO 0.01 0.54 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.57 1c86 h LEU 272 N 0.99 -0.18 -0.63 3.88 4.07 -0.56 0.57 115.31 123.45 1c86 h LEU 272 Ca 0.33 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.32 1c86 h LEU 272 Cb 0.04 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1c86 h LEU 272 CO -0.13 -0.10 0.42 0.00 -1.08 0.00 0.00 178.44 177.55 1c86 h ALA 273 N 0.83 0.81 -0.25 1.53 0.00 -0.70 -0.53 119.26 120.94 1c86 h ALA 273 Ca 0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1c86 h ALA 273 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1c86 h ALA 273 CO -0.04 0.23 -0.55 0.28 0.00 0.00 0.00 179.25 179.17 1c86 h VAL 274 N 0.85 1.29 -0.32 0.00 2.07 -1.35 0.26 116.25 119.05 1c86 h VAL 274 Ca 0.23 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1c86 h VAL 274 Cb -0.09 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1c86 h VAL 274 CO -0.05 0.56 0.21 0.40 0.02 0.00 0.00 177.57 178.70 1c86 h ILE 275 N 0.57 1.07 -0.19 4.57 2.04 -0.76 -0.47 117.51 124.34 1c86 h ILE 275 Ca 0.00 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1c86 h ILE 275 Cb 1.16 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1c86 h ILE 275 CO 0.12 0.08 0.11 -0.08 0.00 0.00 0.00 178.15 178.37 1c86 h GLU 276 N 0.42 0.26 0.00 2.37 4.57 -1.02 -3.03 114.58 118.16 1c86 h GLU 276 Ca 0.12 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1c86 h GLU 276 Cb -0.04 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1c86 h GLU 276 CO -0.03 0.25 -0.13 0.78 -1.18 0.00 0.00 179.01 178.70 1c86 h GLY 277 N 0.21 0.00 2.00 1.92 0.00 -0.29 -1.39 103.07 105.52 1c86 h GLY 277 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1c86 h GLY 277 CO -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.52 1c86 h ALA 278 N 1.87 1.23 -0.73 3.60 0.00 -0.95 -1.74 119.26 122.54 1c86 h ALA 278 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1c86 h ALA 278 Cb 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1c86 h ALA 278 CO 0.02 0.01 0.24 0.87 0.00 0.00 0.00 179.25 180.39 1c86 h LYS 279 N 0.00 1.12 0.67 0.00 1.57 -1.37 0.13 116.57 118.69 1c86 h LYS 279 Ca -0.00 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1c86 h LYS 279 Cb 0.05 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1c86 h LYS 279 CO 0.00 0.94 -0.32 0.35 -0.57 0.00 0.00 179.45 179.85 1c86 h PHE 280 N 1.08 -0.84 -0.85 -1.35 3.04 -1.42 -1.91 116.94 114.69 1c86 h PHE 280 Ca 0.24 -0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.33 1c86 h PHE 280 Cb 0.28 0.28 -0.06 0.00 2.56 0.00 0.00 35.95 39.01 1c86 h PHE 280 CO 0.02 -0.48 0.56 0.82 -2.02 0.00 0.00 178.31 177.20 1c86 h ILE 281 N -1.11 0.77 0.00 1.41 1.08 -1.36 -0.77 117.51 117.53 1c86 h ILE 281 Ca -0.09 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1c86 h ILE 281 Cb 0.73 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1c86 h ILE 281 CO 0.15 0.09 0.00 0.23 -0.69 0.00 0.00 178.15 177.93 1c86 n MET 282 N -4.52 0.99 0.00 2.37 2.81 0.44 -4.84 117.12 114.36 1c86 n MET 282 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1c86 n MET 282 Cb 0.56 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 1c86 n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c86 n GLY 283 N 0.38 0.69 3.25 3.03 0.00 -0.30 -5.04 105.19 107.20 1c86 n GLY 283 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1c86 n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c86 s ASP 284 N -1.87 6.12 0.01 1.61 2.15 -0.72 -4.89 116.67 119.08 1c86 s ASP 284 Ca 0.00 -2.49 0.28 0.00 0.43 0.00 0.00 52.55 50.77 1c86 s ASP 284 Cb 0.00 -2.08 1.19 0.00 -0.30 0.00 0.00 42.92 41.72 1c86 s ASP 284 CO 0.00 -0.57 1.90 -1.20 -0.17 0.00 0.00 175.17 175.12 1c86 n SER 285 N 4.16 0.05 0.24 -0.34 7.64 -1.26 -3.24 113.62 120.86 1c86 n SER 285 Ca 0.05 0.50 0.09 0.00 1.01 0.00 0.00 58.87 60.53 1c86 n SER 285 Cb 0.43 -0.52 0.58 0.00 -1.01 0.00 0.00 64.21 63.69 1c86 n SER 285 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1c86 h SER 286 N 0.00 0.00 -0.11 6.43 4.64 -1.95 -2.52 113.55 120.04 1c86 h SER 286 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1c86 h SER 286 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1c86 h SER 286 CO 0.00 0.20 0.09 -0.37 -0.87 0.00 0.00 176.83 175.88 1c86 h VAL 287 N 0.00 0.76 -0.89 0.95 -1.51 -1.93 -1.89 116.25 111.74 1c86 h VAL 287 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1c86 h VAL 287 Cb 0.44 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 1c86 h VAL 287 CO 0.03 0.00 0.53 -0.61 -1.23 0.00 0.00 177.57 176.28 1c86 h GLN 288 N 0.00 1.22 -0.48 5.19 4.15 -1.69 0.39 115.11 123.90 1c86 h GLN 288 Ca 0.05 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 1c86 h GLN 288 Cb 0.24 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1c86 h GLN 288 CO -0.00 0.86 -0.20 -0.44 -1.93 0.00 0.00 178.83 177.12 1c86 h ASP 289 N 1.24 1.00 -0.75 -0.69 3.32 -1.49 -1.94 116.42 117.12 1c86 h ASP 289 Ca 0.32 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1c86 h ASP 289 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1c86 h ASP 289 CO -0.06 1.17 0.30 1.56 -1.72 0.00 0.00 179.24 180.50 1c86 h GLN 290 N 0.83 1.11 -0.84 3.56 4.20 -0.74 -0.39 115.11 122.85 1c86 h GLN 290 Ca 0.11 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1c86 h GLN 290 Cb 0.78 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1c86 h GLN 290 CO 0.06 0.91 0.50 -1.49 -0.67 0.00 0.00 178.83 178.15 1c86 h TRP 291 N 1.07 1.10 -0.76 2.96 6.55 -0.10 0.91 115.95 127.69 1c86 h TRP 291 Ca 0.25 -0.00 0.05 0.00 0.95 0.00 0.00 58.89 60.13 1c86 h TRP 291 Cb 0.21 -0.36 -0.05 0.00 -0.86 0.00 0.00 29.16 28.09 1c86 h TRP 291 CO 0.02 0.74 0.46 -0.22 -1.05 0.00 0.00 178.44 178.39 1c86 h LYS 292 N 1.15 0.85 0.79 0.49 3.64 -0.78 0.11 116.57 122.83 1c86 h LYS 292 Ca 0.30 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1c86 h LYS 292 Cb -0.04 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1c86 h LYS 292 CO -0.06 0.56 -0.38 0.93 -2.27 0.00 0.00 179.45 178.24 1c86 h GLU 293 N 0.88 -1.03 -0.92 1.90 4.39 -0.41 -3.24 114.58 116.16 1c86 h GLU 293 Ca 0.32 0.07 0.26 0.00 0.34 0.00 0.00 59.36 60.34 1c86 h GLU 293 Cb 0.10 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 28.82 1c86 h GLU 293 CO -0.14 -0.67 0.15 -0.07 -1.16 0.00 0.00 179.01 177.11 1c86 h LEU 294 N -1.23 -0.21 -2.34 1.33 4.07 -0.71 -0.95 115.31 115.28 1c86 h LEU 294 Ca -0.11 0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1c86 h LEU 294 Cb 0.83 0.36 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1c86 h LEU 294 CO 0.18 -0.26 -0.04 0.77 -1.08 0.00 0.00 178.44 178.01 1c86 h SER 295 N 0.10 0.00 -5.00 -0.43 4.64 -0.81 -3.47 113.55 108.58 1c86 h SER 295 Ca 0.58 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.61 1c86 h SER 295 Cb 1.20 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.42 1c86 h SER 295 CO -0.77 0.04 -0.61 1.41 -0.87 0.00 0.00 176.83 176.03 1c86 n HIS 296 N -3.56 -2.00 0.24 4.77 8.25 -0.36 -4.90 115.22 117.66 1c86 n HIS 296 Ca -0.02 0.80 0.07 0.00 -0.26 0.00 0.00 57.72 58.30 1c86 n HIS 296 Cb 0.15 -4.47 0.58 0.00 1.12 0.00 0.00 29.99 27.36 1c86 n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1c86 h GLU 297 N -1.79 0.00 -0.02 -0.41 4.11 -1.82 -3.42 114.58 111.22 1c86 h GLU 297 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1c86 h GLU 297 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1c86 h GLU 297 CO 0.43 0.08 0.00 -0.25 0.07 0.00 0.00 179.01 179.34