#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jry h GLU 6 N 0.00 0.59 0.00 -1.46 4.57 -1.84 -0.52 114.58 115.91 3jry h GLU 6 Ca 0.00 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 3jry h GLU 6 Cb 0.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3jry h GLU 6 CO 0.00 0.95 -0.26 -0.24 -1.18 0.00 0.00 179.01 178.28 3jry h VAL 7 N 0.47 1.19 0.19 0.32 3.04 -1.87 -2.58 116.25 117.01 3jry h VAL 7 Ca 0.02 -0.90 -0.32 0.00 -1.01 0.00 0.00 66.70 64.49 3jry h VAL 7 Cb 1.04 1.49 0.03 0.00 -2.01 0.00 0.00 31.29 31.84 3jry h VAL 7 CO 0.10 0.26 -1.37 0.00 -1.01 0.00 0.00 177.57 175.55 3jry h ALA 8 N 1.74 -0.08 -0.91 3.17 0.00 -1.76 -2.89 119.26 118.53 3jry h ALA 8 Ca -0.00 -0.83 0.10 0.00 0.00 0.00 0.00 54.91 54.18 3jry h ALA 8 Cb 0.47 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3jry h ALA 8 CO 0.03 0.71 0.55 1.25 0.00 0.00 0.00 179.25 181.80 3jry h HIS 9 N 0.19 1.01 0.02 0.00 6.17 -1.01 -1.74 115.15 119.80 3jry h HIS 9 Ca -0.22 0.03 -0.23 0.00 0.71 0.00 0.00 60.37 60.66 3jry h HIS 9 Cb 2.05 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 31.64 3jry h HIS 9 CO 0.12 0.43 -1.15 0.00 0.71 0.00 0.00 177.93 178.04 3jry h ARG 10 N 0.92 0.05 0.08 5.26 2.47 -1.55 -2.79 114.38 118.82 3jry h ARG 10 Ca 0.43 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 59.07 3jry h ARG 10 Cb 0.36 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3jry h ARG 10 CO -0.24 0.97 -0.04 0.35 0.56 0.00 0.00 179.97 181.57 3jry h PHE 11 N 0.01 -0.10 -0.20 3.04 3.57 -1.28 -1.61 116.94 120.37 3jry h PHE 11 Ca -0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3jry h PHE 11 Cb 1.84 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 3jry h PHE 11 CO 0.01 0.04 0.13 0.87 -2.23 0.00 0.00 178.31 177.13 3jry h LYS 12 N -0.21 0.27 -0.44 1.11 1.57 -1.40 0.26 116.57 117.73 3jry h LYS 12 Ca -0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3jry h LYS 12 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3jry h LYS 12 CO 0.02 0.18 0.26 -0.44 -0.57 0.00 0.00 179.45 178.90 3jry h ASP 13 N 0.27 0.53 0.79 0.86 5.19 -1.49 -3.29 116.42 119.28 3jry h ASP 13 Ca 0.08 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 3jry h ASP 13 Cb -0.03 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3jry h ASP 13 CO -0.02 0.43 -1.27 0.18 -3.12 0.00 0.00 179.24 175.45 3jry n LEU 14 N -4.74 0.81 -0.27 1.55 4.77 -0.61 -5.08 117.00 113.43 3jry n LEU 14 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3jry n LEU 14 Cb 0.05 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3jry n LEU 14 CO 0.35 -0.01 -0.08 0.61 -1.33 0.00 0.00 177.39 176.94 3jry n GLY 15 N 1.30 -3.09 0.35 -0.72 0.00 0.90 -4.40 105.19 99.53 3jry n GLY 15 Ca -0.05 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.85 3jry n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jry h GLU 16 N 0.11 0.67 -0.08 1.61 4.81 -1.94 -2.14 114.58 117.61 3jry h GLU 16 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3jry h GLU 16 Cb 0.11 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3jry h GLU 16 CO 0.00 0.44 -0.03 1.49 -0.73 0.00 0.00 179.01 180.18 3jry h GLU 17 N 0.69 0.16 -0.36 1.92 4.81 -1.96 -1.82 114.58 118.01 3jry h GLU 17 Ca 0.28 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3jry h GLU 17 Cb 0.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3jry h GLU 17 CO -0.09 0.52 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.52 3jry h ASN 18 N -0.20 0.78 -0.02 1.04 2.35 -1.74 -3.03 115.58 114.76 3jry h ASN 18 Ca 0.02 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3jry h ASN 18 Cb 0.47 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3jry h ASN 18 CO 0.01 1.01 -0.19 0.15 -1.65 0.00 0.00 177.43 176.77 3jry h PHE 19 N 0.65 -0.49 -0.67 1.19 3.57 -1.34 -0.28 116.94 119.58 3jry h PHE 19 Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3jry h PHE 19 Cb 0.79 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 3jry h PHE 19 CO 0.04 -0.27 0.40 0.87 -2.23 0.00 0.00 178.31 177.13 3jry h LYS 20 N -0.29 0.76 -0.59 1.11 1.57 -1.38 -1.73 116.57 116.02 3jry h LYS 20 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3jry h LYS 20 Cb 0.38 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3jry h LYS 20 CO -0.19 0.50 0.29 0.00 -0.57 0.00 0.00 179.45 179.48 3jry h ALA 21 N 1.31 0.75 -0.23 3.86 0.00 -1.35 -2.00 119.26 121.61 3jry h ALA 21 Ca 0.28 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3jry h ALA 21 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3jry h ALA 21 CO -0.13 0.31 -0.41 -0.07 0.00 0.00 0.00 179.25 178.95 3jry h LEU 22 N 0.80 0.57 -0.66 0.00 3.38 -0.76 -2.19 115.31 116.45 3jry h LEU 22 Ca 0.20 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3jry h LEU 22 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3jry h LEU 22 CO -0.03 0.91 -0.25 0.58 0.09 0.00 0.00 178.44 179.74 3jry h VAL 23 N 0.44 1.27 -0.72 1.22 2.07 -1.25 -2.26 116.25 117.02 3jry h VAL 23 Ca 0.04 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 3jry h VAL 23 Cb 0.91 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3jry h VAL 23 CO 0.08 0.46 0.20 0.25 0.02 0.00 0.00 177.57 178.58 3jry h LEU 24 N 0.67 1.07 -0.41 2.57 5.85 -1.17 -2.22 115.31 121.68 3jry h LEU 24 Ca 0.09 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3jry h LEU 24 Cb 0.77 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3jry h LEU 24 CO 0.06 1.01 0.08 0.40 -0.34 0.00 0.00 178.44 179.65 3jry h ILE 25 N 1.08 1.24 -0.42 4.05 2.04 -1.29 -2.12 117.51 122.09 3jry h ILE 25 Ca 0.23 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3jry h ILE 25 Cb 0.34 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3jry h ILE 25 CO -0.00 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.70 3jry h ALA 26 N 0.94 0.53 -0.42 1.87 0.00 -1.29 -2.22 119.26 118.68 3jry h ALA 26 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3jry h ALA 26 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3jry h ALA 26 CO 0.01 0.00 0.24 0.74 0.00 0.00 0.00 179.25 180.24 3jry h PHE 27 N 0.56 0.56 0.00 0.00 -1.00 -1.34 -2.54 116.94 113.18 3jry h PHE 27 Ca 0.15 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 3jry h PHE 27 Cb -0.04 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.34 3jry h PHE 27 CO -0.04 0.41 -0.12 0.00 -1.61 0.00 0.00 178.31 176.96 3jry h ALA 28 N 1.10 1.14 0.00 2.45 0.00 -1.15 -1.54 119.26 121.26 3jry h ALA 28 Ca 0.15 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3jry h ALA 28 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3jry h ALA 28 CO -0.03 0.15 -1.40 1.96 0.00 0.00 0.00 179.25 179.93 3jry h GLN 29 N 0.00 0.00 0.15 0.00 4.20 -1.21 -3.26 115.11 114.99 3jry h GLN 29 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3jry h GLN 29 Cb 0.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.24 3jry h GLN 29 CO 0.02 0.29 -1.04 1.88 -0.67 0.00 0.00 178.83 179.31 3jry h TYR 30 N 0.00 0.59 -3.19 2.96 0.05 -1.27 -3.41 116.97 112.70 3jry h TYR 30 Ca -0.16 -0.43 -0.64 0.00 0.05 0.00 0.00 58.73 57.54 3jry h TYR 30 Cb 1.59 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.90 3jry h TYR 30 CO 0.00 1.40 -0.46 -0.51 -1.05 0.00 0.00 178.16 177.54 3jry s LEU 31 N -7.77 4.96 0.07 3.88 1.43 -0.60 -4.87 118.68 115.78 3jry s LEU 31 Ca -0.14 -3.70 0.24 0.00 -1.03 0.00 0.00 54.13 49.49 3jry s LEU 31 Cb 0.02 -1.71 0.96 0.00 0.03 0.00 0.00 46.19 45.50 3jry s LEU 31 CO 0.84 -0.13 1.75 0.00 0.23 0.00 0.00 176.35 179.04 3jry n GLN 32 N 2.22 0.07 -0.00 1.70 6.02 -1.23 -3.18 117.38 122.98 3jry n GLN 32 Ca 0.18 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.41 3jry n GLN 32 Cb 0.35 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 3jry n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3jry n GLN 33 N -1.73 1.15 -2.33 -1.09 1.13 -1.26 -4.97 117.38 108.28 3jry n GLN 33 Ca 0.05 -0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.71 3jry n GLN 33 Cb 0.30 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 3jry n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3jry s PRO 35 N -2.03 2.75 0.21 0.00 0.02 -1.26 -4.94 135.00 129.75 3jry s PRO 35 Ca 0.53 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.74 3jry s PRO 35 Cb -0.32 -1.95 0.23 0.00 0.02 0.00 0.00 34.50 32.49 3jry s PRO 35 CO 0.40 -1.28 1.59 0.35 -0.33 0.00 0.00 177.00 177.74 3jry h PHE 36 N -0.12 -0.64 -0.76 6.54 3.57 -2.00 -2.98 116.94 120.54 3jry h PHE 36 Ca -0.46 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3jry h PHE 36 Cb 1.24 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 40.33 3jry h PHE 36 CO 0.55 -0.35 0.49 0.93 -2.23 0.00 0.00 178.31 177.71 3jry h GLU 37 N -0.06 1.01 -0.52 1.11 3.07 -2.00 -2.40 114.58 114.79 3jry h GLU 37 Ca 0.31 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 3jry h GLU 37 Cb 0.55 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3jry h GLU 37 CO -0.75 0.68 -0.16 -0.44 -1.40 0.00 0.00 179.01 176.94 3jry h ASP 38 N 1.04 1.03 -0.09 1.42 3.32 -1.91 -1.51 116.42 119.72 3jry h ASP 38 Ca 0.28 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3jry h ASP 38 Cb -0.10 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.17 3jry h ASP 38 CO -0.06 1.17 0.02 0.45 -1.72 0.00 0.00 179.24 179.10 3jry h HIS 39 N 0.88 0.15 -0.72 4.55 3.86 -1.47 -2.17 115.15 120.23 3jry h HIS 39 Ca 0.13 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.45 3jry h HIS 39 Cb 0.73 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 29.07 3jry h HIS 39 CO 0.05 0.33 0.25 0.28 0.86 0.00 0.00 177.93 179.70 3jry h VAL 40 N -0.08 0.64 -0.79 2.45 2.07 -1.38 -0.25 116.25 118.91 3jry h VAL 40 Ca 0.03 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3jry h VAL 40 Cb 0.26 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3jry h VAL 40 CO 0.00 0.07 0.48 0.50 0.02 0.00 0.00 177.57 178.64 3jry h LYS 41 N 0.39 0.86 0.12 1.57 3.64 -0.93 -2.34 116.57 119.87 3jry h LYS 41 Ca 0.39 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.45 3jry h LYS 41 Cb 0.59 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3jry h LYS 41 CO -0.41 0.57 -1.22 -0.07 -2.27 0.00 0.00 179.45 176.05 3jry h LEU 42 N 0.88 0.45 -0.48 5.20 3.38 -0.62 -3.12 115.31 121.01 3jry h LEU 42 Ca 0.35 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3jry h LEU 42 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3jry h LEU 42 CO -0.17 1.36 0.28 0.58 0.09 0.00 0.00 178.44 180.58 3jry h VAL 43 N 0.09 1.15 -0.77 1.22 2.07 -0.97 -2.17 116.25 116.87 3jry h VAL 43 Ca -0.13 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3jry h VAL 43 Cb 1.94 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3jry h VAL 43 CO 0.20 0.16 0.51 0.78 0.02 0.00 0.00 177.57 179.23 3jry h ASN 44 N 0.64 0.86 0.39 0.57 2.35 -1.47 -1.37 115.58 117.54 3jry h ASN 44 Ca 0.17 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3jry h ASN 44 Cb 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3jry h ASN 44 CO -0.03 0.61 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.85 3jry h GLU 45 N 1.02 -0.50 -0.93 0.81 5.08 -1.47 -2.70 114.58 115.89 3jry h GLU 45 Ca 0.29 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.83 3jry h GLU 45 Cb -0.08 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3jry h GLU 45 CO -0.08 -0.29 0.59 0.28 -1.00 0.00 0.00 179.01 178.51 3jry h VAL 46 N -0.59 0.83 -0.24 3.13 2.07 -1.24 -1.59 116.25 118.61 3jry h VAL 46 Ca -0.05 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 3jry h VAL 46 Cb 0.44 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3jry h VAL 46 CO 0.09 0.13 -0.33 0.74 0.02 0.00 0.00 177.57 178.23 3jry h THR 47 N 0.74 1.31 0.00 2.57 2.02 -1.15 -1.10 112.91 117.29 3jry h THR 47 Ca 0.47 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 3jry h THR 47 Cb 0.73 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3jry h THR 47 CO -0.23 0.48 -0.43 1.05 0.37 0.00 0.00 175.52 176.76 3jry h GLU 48 N 0.37 0.00 0.02 6.66 4.11 -1.14 -2.37 114.58 122.23 3jry h GLU 48 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 3jry h GLU 48 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3jry h GLU 48 CO 0.08 0.43 -0.01 0.35 0.07 0.00 0.00 179.01 179.93 3jry h PHE 49 N 0.00 -0.02 -0.88 2.06 3.57 -1.16 -2.78 116.94 117.74 3jry h PHE 49 Ca -0.00 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 3jry h PHE 49 Cb 0.92 0.01 -0.15 0.00 2.79 0.00 0.00 35.95 39.52 3jry h PHE 49 CO 0.00 0.26 0.17 0.00 -2.23 0.00 0.00 178.31 176.51 3jry h ALA 50 N 0.68 1.20 -0.71 2.41 0.00 -0.93 0.08 119.26 121.99 3jry h ALA 50 Ca -0.00 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3jry h ALA 50 Cb 0.29 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3jry h ALA 50 CO 0.00 -0.49 0.30 0.87 0.00 0.00 0.00 179.25 179.94 3jry h LYS 51 N 0.16 1.04 0.00 0.00 1.57 -1.26 -1.40 116.57 116.67 3jry h LYS 51 Ca 0.54 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 59.09 3jry h LYS 51 Cb 1.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3jry h LYS 51 CO -0.70 0.83 -0.30 1.79 -0.57 0.00 0.00 179.45 180.50 3jry h THR 52 N 1.02 1.14 -0.14 -0.16 1.35 -0.74 -2.77 112.91 112.61 3jry h THR 52 Ca 0.24 -1.06 -0.06 0.00 -0.55 0.00 0.00 66.41 64.98 3jry h THR 52 Cb 0.17 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3jry h THR 52 CO -0.02 0.30 -0.15 0.00 -0.25 0.00 0.00 175.52 175.39 3jry h VAL 54 N -0.03 0.34 -0.26 0.00 -1.51 -1.36 -0.93 116.25 112.50 3jry h VAL 54 Ca 0.02 -0.51 -0.11 0.00 -1.23 0.00 0.00 66.70 64.88 3jry h VAL 54 Cb 0.69 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3jry h VAL 54 CO 0.04 0.08 -0.25 0.00 -1.23 0.00 0.00 177.57 176.21 3jry h ALA 55 N 1.92 0.38 -2.36 5.19 0.00 -1.32 -3.41 119.26 119.64 3jry h ALA 55 Ca -0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 54.91 54.12 3jry h ALA 55 Cb 0.37 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 17.72 3jry h ALA 55 CO 0.01 0.36 -0.69 0.34 0.00 0.00 0.00 179.25 179.27 3jry s ASP 56 N -6.45 2.31 0.36 0.00 2.15 -0.88 -5.03 116.67 109.14 3jry s ASP 56 Ca -0.13 -1.01 0.26 0.00 0.43 0.00 0.00 52.55 52.11 3jry s ASP 56 Cb 0.08 0.20 1.24 0.00 -0.30 0.00 0.00 42.92 44.14 3jry s ASP 56 CO 0.81 -0.40 1.80 -0.33 -0.17 0.00 0.00 175.17 176.88 3jry h GLU 57 N 8.23 0.00 -0.54 4.34 5.08 -1.44 0.11 114.58 130.37 3jry h GLU 57 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3jry h GLU 57 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3jry h GLU 57 CO 0.36 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.24 3jry n SER 58 N -2.44 3.62 -3.79 1.42 3.41 -1.26 -4.00 113.62 110.57 3jry n SER 58 Ca 0.00 -2.10 -0.30 0.00 -0.26 0.00 0.00 58.87 56.21 3jry n SER 58 Cb 0.16 -0.40 0.25 0.00 -0.26 0.00 0.00 64.21 63.96 3jry n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jry s ALA 59 N -1.19 0.26 0.00 7.33 0.00 0.39 -4.84 121.76 123.72 3jry s ALA 59 Ca 0.38 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3jry s ALA 59 Cb 0.21 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3jry s ALA 59 CO 0.24 -3.80 0.00 0.39 0.00 0.00 0.00 175.76 172.58 3jry n GLU 60 N -4.95 0.00 -0.49 0.00 1.02 -1.26 -2.81 120.64 112.15 3jry n GLU 60 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3jry n GLU 60 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3jry n GLU 60 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3jry n ASN 61 N 0.00 0.00 0.00 1.62 5.15 -1.26 -4.91 115.26 115.86 3jry n ASN 61 Ca 0.00 -1.80 0.03 0.00 -0.60 0.00 0.00 54.58 52.21 3jry n ASN 61 Cb 0.00 -0.16 0.12 0.00 -0.53 0.00 0.00 39.78 39.21 3jry n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jry n ASP 63 N -1.41 2.18 -4.69 0.00 5.75 -1.26 -0.69 116.55 116.43 3jry n ASP 63 Ca 0.02 -1.74 -0.29 0.00 -0.01 0.00 0.00 54.79 52.77 3jry n ASP 63 Cb 0.05 -0.05 0.16 0.00 -1.03 0.00 0.00 41.12 40.26 3jry n ASP 63 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jry s LYS 64 N -1.90 0.73 0.66 0.11 1.02 -1.06 -4.95 119.74 114.35 3jry s LYS 64 Ca 0.34 0.68 -0.11 0.00 0.02 0.00 0.00 55.97 56.91 3jry s LYS 64 Cb 0.20 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 3jry s LYS 64 CO 0.31 -2.56 1.05 -1.54 -0.92 0.00 0.00 175.35 171.68 3jry s SER 65 N -3.39 5.80 0.25 2.83 1.04 -1.26 -4.70 113.70 114.27 3jry s SER 65 Ca 0.65 1.21 -0.00 0.00 0.48 0.00 0.00 55.95 58.29 3jry s SER 65 Cb -0.19 -2.14 0.31 0.00 0.10 0.00 0.00 66.02 64.10 3jry s SER 65 CO 0.58 -1.11 1.68 -0.07 0.98 0.00 0.00 173.24 175.30 3jry h LEU 66 N -0.46 0.61 0.59 2.42 3.38 -1.97 -1.10 115.31 118.78 3jry h LEU 66 Ca -0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3jry h LEU 66 Cb 1.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3jry h LEU 66 CO 0.63 0.84 -0.36 0.45 0.09 0.00 0.00 178.44 180.09 3jry h HIS 67 N 0.54 -0.94 -0.40 1.13 3.86 -1.98 -1.41 115.15 115.93 3jry h HIS 67 Ca 0.08 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3jry h HIS 67 Cb 0.69 0.33 -0.09 0.00 1.06 0.00 0.00 27.41 29.40 3jry h HIS 67 CO 0.03 -0.55 -0.38 1.15 0.86 0.00 0.00 177.93 179.04 3jry h THR 68 N -0.90 0.16 -0.07 2.45 2.02 -1.94 0.27 112.91 114.91 3jry h THR 68 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3jry h THR 68 Cb 0.73 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3jry h THR 68 CO 0.08 0.00 0.03 -0.07 0.37 0.00 0.00 175.52 175.93 3jry h LEU 69 N -0.29 0.09 -0.47 2.58 3.38 -1.07 -0.34 115.31 119.19 3jry h LEU 69 Ca 0.16 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3jry h LEU 69 Cb 0.57 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3jry h LEU 69 CO -0.56 0.17 -0.75 -0.26 0.09 0.00 0.00 178.44 177.13 3jry h PHE 70 N -0.00 0.20 -0.25 1.13 0.04 -1.26 -2.85 116.94 113.94 3jry h PHE 70 Ca 0.02 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.73 3jry h PHE 70 Cb 0.11 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 3jry h PHE 70 CO -0.04 0.84 0.05 0.78 -0.60 0.00 0.00 178.31 179.34 3jry h GLY 71 N 1.86 0.28 0.91 -1.45 0.00 -0.17 -1.31 103.07 103.19 3jry h GLY 71 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3jry h GLY 71 CO 0.11 -0.01 0.10 -0.55 0.00 0.00 0.00 176.54 176.20 3jry h ASP 72 N 0.15 0.47 -0.50 0.19 3.32 -1.03 -0.88 116.42 118.14 3jry h ASP 72 Ca 0.11 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.01 3jry h ASP 72 Cb 0.11 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3jry h ASP 72 CO -0.15 0.54 0.24 0.11 -1.72 0.00 0.00 179.24 178.27 3jry h LYS 73 N 0.37 0.46 -0.28 3.56 1.79 -1.40 -2.62 116.57 118.44 3jry h LYS 73 Ca 0.10 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 3jry h LYS 73 Cb 0.24 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 3jry h LYS 73 CO -0.00 0.31 0.16 -0.07 -1.08 0.00 0.00 179.45 178.76 3jry h LEU 74 N 0.48 0.26 0.00 2.94 3.38 -0.97 -2.87 115.31 118.52 3jry h LEU 74 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3jry h LEU 74 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3jry h LEU 74 CO -0.16 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3jry n THR 76 N -1.35 0.00 -2.32 0.00 -2.24 -1.08 -3.76 114.28 103.53 3jry n THR 76 Ca 0.04 -0.11 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 3jry n THR 76 Cb 0.09 0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 3jry n THR 76 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3jry n VAL 77 N -0.64 0.12 0.00 2.28 0.24 -0.54 -5.06 118.33 114.73 3jry n VAL 77 Ca 0.16 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 3jry n VAL 77 Cb 0.30 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 3jry n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jry n ALA 78 N 0.29 0.00 0.00 2.33 0.00 -1.13 -5.02 120.51 116.97 3jry n ALA 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3jry n ALA 78 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.46 3jry n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3jry n THR 79 N 0.00 0.00 -1.19 0.00 -2.24 -1.26 -4.89 114.28 104.70 3jry n THR 79 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3jry n THR 79 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3jry n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jry n LEU 80 N 0.00 -0.30 0.00 3.22 -0.00 -1.26 -4.93 117.00 113.73 3jry n LEU 80 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 3jry n LEU 80 Cb 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 41.82 3jry n LEU 80 CO 0.00 -0.52 0.00 -1.14 -0.00 0.00 0.00 177.39 175.73 3jry n ARG 81 N -2.10 0.00 0.00 1.47 3.00 -1.26 -4.93 116.66 112.84 3jry n ARG 81 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3jry n ARG 81 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 3jry n ARG 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3jry n GLU 82 N -0.18 0.00 -3.46 -0.14 4.07 -1.26 -5.06 120.64 114.61 3jry n GLU 82 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3jry n GLU 82 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 3jry n GLU 82 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3jry s THR 83 N -1.69 5.04 0.00 6.31 -1.32 -1.26 -4.66 115.64 118.05 3jry s THR 83 Ca 0.00 -2.76 0.01 0.00 -1.21 0.00 0.00 61.69 57.74 3jry s THR 83 Cb 0.00 -4.14 0.02 0.00 -1.51 0.00 0.00 72.50 66.87 3jry s THR 83 CO 0.00 -1.00 0.78 0.00 -2.21 0.00 0.00 174.62 172.19 3jry n TYR 84 N 3.65 0.00 0.00 9.09 9.36 -1.26 -5.08 117.16 132.92 3jry n TYR 84 Ca 0.13 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3jry n TYR 84 Cb 0.43 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 3jry n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3jry n GLY 85 N 0.02 1.34 2.57 2.98 0.00 -1.26 -4.42 105.19 106.43 3jry n GLY 85 Ca -0.01 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 3jry n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jry s GLU 86 N 0.00 0.65 0.25 1.61 0.41 -1.26 -5.15 118.70 115.22 3jry s GLU 86 Ca 0.00 -1.27 0.12 0.00 -0.41 0.00 0.00 54.97 53.41 3jry s GLU 86 Cb 0.00 -1.06 -0.05 0.00 -1.78 0.00 0.00 34.13 31.25 3jry s GLU 86 CO 0.00 -1.24 -0.21 -1.64 -0.49 0.00 0.00 175.26 171.69 3jry s MET 87 N 1.04 1.62 0.46 1.61 -1.94 -1.26 -5.15 119.30 115.67 3jry s MET 87 Ca 0.20 -1.70 0.07 0.00 -1.71 0.00 0.00 55.69 52.55 3jry s MET 87 Cb -0.15 -1.75 -0.01 0.00 2.01 0.00 0.00 34.83 34.93 3jry s MET 87 CO -0.04 0.34 0.37 0.00 -0.01 0.00 0.00 175.02 175.68 3jry s ALA 88 N -2.33 4.11 -0.28 3.03 0.00 -1.26 -5.07 121.76 119.96 3jry s ALA 88 Ca 0.27 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 3jry s ALA 88 Cb -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3jry s ALA 88 CO 0.13 -0.30 0.68 0.34 0.00 0.00 0.00 175.76 176.61 3jry s ASP 89 N -4.16 6.60 0.09 0.00 2.15 -1.26 -4.95 116.67 115.15 3jry s ASP 89 Ca 0.44 0.66 -0.16 0.00 0.43 0.00 0.00 52.55 53.91 3jry s ASP 89 Cb -0.02 -2.36 -0.07 0.00 -0.30 0.00 0.00 42.92 40.17 3jry s ASP 89 CO 0.26 -0.46 1.47 0.00 -0.17 0.00 0.00 175.17 176.26 3jry n ALA 92 N -1.22 2.36 -2.28 0.00 0.00 -1.15 -4.99 120.51 113.23 3jry n ALA 92 Ca 0.01 -1.13 -0.24 0.00 0.00 0.00 0.00 53.44 52.09 3jry n ALA 92 Cb 0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 3jry n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3jry s LYS 93 N -1.16 2.34 0.07 0.00 1.02 0.51 -5.09 119.74 117.42 3jry s LYS 93 Ca 0.39 -1.82 0.08 0.00 0.02 0.00 0.00 55.97 54.64 3jry s LYS 93 Cb 0.21 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3jry s LYS 93 CO 0.28 -0.54 -0.20 -0.65 -0.92 0.00 0.00 175.35 173.32 3jry s GLN 94 N -4.31 1.91 0.68 1.68 -1.52 -1.26 -4.72 119.66 112.12 3jry s GLN 94 Ca 0.43 -1.08 -0.17 0.00 -1.95 0.00 0.00 55.36 52.59 3jry s GLN 94 Cb -0.03 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.65 3jry s GLN 94 CO 0.26 0.51 1.26 -1.21 -0.25 0.00 0.00 175.29 175.87 3jry s GLU 95 N -1.63 2.40 -0.00 2.91 0.41 -1.26 -1.39 118.70 120.14 3jry s GLU 95 Ca 0.15 1.95 0.07 0.00 -0.41 0.00 0.00 54.97 56.74 3jry s GLU 95 Cb -0.10 -1.84 0.22 0.00 -1.78 0.00 0.00 34.13 30.62 3jry s GLU 95 CO 0.06 -1.68 1.18 -2.30 -0.49 0.00 0.00 175.26 172.02 3jry n PRO 96 N -2.19 1.58 -0.22 0.39 -0.02 -1.26 -4.82 135.00 128.46 3jry n PRO 96 Ca 0.15 -0.88 -0.08 0.00 -2.02 0.00 0.00 63.50 60.66 3jry n PRO 96 Cb 0.49 -1.20 0.03 0.00 -0.02 0.00 0.00 33.50 32.80 3jry n PRO 96 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jry h GLU 97 N 1.43 0.99 -0.31 -0.52 3.07 -1.64 -1.05 114.58 116.56 3jry h GLU 97 Ca 0.00 -0.24 0.05 0.00 -0.50 0.00 0.00 59.36 58.67 3jry h GLU 97 Cb 0.34 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 3jry h GLU 97 CO 0.00 0.90 0.03 -0.09 -1.40 0.00 0.00 179.01 178.45 3jry h ARG 98 N 0.90 0.12 -0.82 2.33 2.43 -1.74 -0.41 114.38 117.19 3jry h ARG 98 Ca 0.19 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3jry h ARG 98 Cb 0.36 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3jry h ARG 98 CO 0.00 0.08 0.35 -0.97 -1.51 0.00 0.00 179.97 177.92 3jry h ASN 99 N 0.13 1.11 -0.21 -3.80 -1.24 -1.83 -2.15 115.58 107.59 3jry h ASN 99 Ca 0.15 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 57.03 3jry h ASN 99 Cb 0.18 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 3jry h ASN 99 CO -0.22 0.97 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.54 3jry h GLU 100 N 1.19 0.04 -0.34 6.67 5.08 -0.53 -2.30 114.58 124.38 3jry h GLU 100 Ca 0.28 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 3jry h GLU 100 Cb 0.18 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3jry h GLU 100 CO -0.03 0.03 0.12 0.00 -1.00 0.00 0.00 179.01 178.13 3jry h PHE 102 N 0.27 -0.13 -0.59 0.00 0.04 -1.03 -2.59 116.94 112.91 3jry h PHE 102 Ca 0.15 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 3jry h PHE 102 Cb 0.12 0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3jry h PHE 102 CO -0.14 -0.17 0.04 -0.07 -0.60 0.00 0.00 178.31 177.38 3jry h LEU 103 N 0.07 0.98 0.00 1.54 3.38 -0.97 -2.51 115.31 117.79 3jry h LEU 103 Ca 0.26 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3jry h LEU 103 Cb 0.40 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3jry h LEU 103 CO -0.48 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.07 3jry n GLN 104 N -4.26 0.09 -0.07 1.13 10.64 -0.95 -2.54 117.38 121.42 3jry n GLN 104 Ca 0.03 0.12 0.12 0.00 -1.83 0.00 0.00 57.00 55.44 3jry n GLN 104 Cb 0.31 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.50 3jry n GLN 104 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3jry n HIS 105 N -1.44 0.20 -1.82 2.61 8.25 -0.95 -4.93 115.22 117.14 3jry n HIS 105 Ca 0.07 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3jry n HIS 105 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3jry n HIS 105 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3jry s LYS 106 N -1.80 4.17 -0.33 -0.41 1.02 -1.05 -4.96 119.74 116.37 3jry s LYS 106 Ca 0.34 2.47 -0.12 0.00 0.02 0.00 0.00 55.97 58.68 3jry s LYS 106 Cb 0.20 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 3jry s LYS 106 CO 0.30 -0.78 0.21 0.34 -0.92 0.00 0.00 175.35 174.50 3jry s ASP 107 N 2.43 5.88 0.49 2.83 2.15 -1.26 -4.96 116.67 124.24 3jry s ASP 107 Ca 0.77 -0.50 0.28 0.00 0.43 0.00 0.00 52.55 53.53 3jry s ASP 107 Cb -0.43 -2.09 1.00 0.00 -0.30 0.00 0.00 42.92 41.10 3jry s ASP 107 CO 0.34 -0.24 1.85 0.44 -0.17 0.00 0.00 175.17 177.39 3jry h ASP 108 N 8.45 0.00 -2.02 -0.34 3.32 -1.94 -3.35 116.42 120.54 3jry h ASP 108 Ca -0.31 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 3jry h ASP 108 Cb 1.15 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.31 3jry h ASP 108 CO 0.63 0.08 -1.07 -3.20 -1.72 0.00 0.00 179.24 173.95 3jry n ASN 109 N -3.17 0.57 -4.77 6.45 2.85 -1.26 -4.99 115.26 110.94 3jry n ASN 109 Ca 0.01 -2.80 -0.40 0.00 -0.11 0.00 0.00 54.58 51.28 3jry n ASN 109 Cb 0.40 -0.64 -0.02 0.00 1.24 0.00 0.00 39.78 40.76 3jry n ASN 109 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3jry s PRO 110 N -1.45 4.26 -1.25 1.20 0.02 -1.26 -4.89 135.00 131.64 3jry s PRO 110 Ca 0.36 2.16 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 3jry s PRO 110 Cb 0.19 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.72 3jry s PRO 110 CO -0.10 -0.25 2.04 0.09 -0.33 0.00 0.00 177.00 178.45 3jry n ASN 111 N 0.61 3.69 -4.48 2.53 4.13 -1.26 -4.90 115.26 115.58 3jry n ASN 111 Ca 0.01 -2.81 -0.31 0.00 1.68 0.00 0.00 54.58 53.15 3jry n ASN 111 Cb 0.43 -1.55 -0.12 0.00 -1.54 0.00 0.00 39.78 36.99 3jry n ASN 111 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3jry s LEU 112 N 3.03 2.73 0.43 3.41 1.43 -1.26 -5.11 118.68 123.34 3jry s LEU 112 Ca 0.52 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 3jry s LEU 112 Cb 0.11 -1.58 -0.08 0.00 0.03 0.00 0.00 46.19 44.67 3jry s LEU 112 CO 0.01 0.28 1.33 -2.84 0.23 0.00 0.00 176.35 175.35 3jry s PRO 113 N -1.30 3.81 0.22 1.29 0.02 -1.26 -4.95 135.00 132.82 3jry s PRO 113 Ca 0.15 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 63.06 3jry s PRO 113 Cb -0.11 -2.66 -0.10 0.00 0.02 0.00 0.00 34.50 31.65 3jry s PRO 113 CO 0.05 -0.64 1.52 0.50 -0.33 0.00 0.00 177.00 178.09 3jry s ARG 114 N -2.39 4.23 -0.36 5.54 6.06 -1.26 -4.94 118.95 125.83 3jry s ARG 114 Ca 0.60 2.36 -0.28 0.00 -2.50 0.00 0.00 55.73 55.91 3jry s ARG 114 Cb -0.39 -3.12 0.02 0.00 0.06 0.00 0.00 34.95 31.52 3jry s ARG 114 CO 0.49 -0.53 1.02 -0.51 -2.50 0.00 0.00 175.30 173.28 3jry s LEU 115 N 0.30 3.91 -0.20 -0.88 1.02 -1.26 -5.02 118.68 116.55 3jry s LEU 115 Ca 0.65 0.79 -0.12 0.00 0.02 0.00 0.00 54.13 55.46 3jry s LEU 115 Cb -0.43 -3.43 -0.05 0.00 0.02 0.00 0.00 46.19 42.30 3jry s LEU 115 CO 0.38 -0.92 0.22 0.54 0.02 0.00 0.00 176.35 176.59 3jry s VAL 116 N 3.69 5.34 -0.01 -1.59 0.11 -1.26 -5.08 120.40 121.60 3jry s VAL 116 Ca 0.43 0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 59.63 3jry s VAL 116 Cb -0.11 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 3jry s VAL 116 CO 0.19 0.38 0.61 0.00 -3.33 0.00 0.00 175.10 172.95 3jry s ARG 117 N 0.66 4.34 1.31 1.54 1.70 -1.26 -5.06 118.95 122.17 3jry s ARG 117 Ca 0.12 0.75 -0.20 0.00 -0.47 0.00 0.00 55.73 55.93 3jry s ARG 117 Cb -0.13 -3.36 0.33 0.00 -0.57 0.00 0.00 34.95 31.22 3jry s ARG 117 CO 0.02 0.33 1.00 -2.14 -1.08 0.00 0.00 175.30 173.44 3jry s PRO 118 N -0.07 -2.03 0.52 3.89 0.02 -1.26 -4.95 135.00 131.12 3jry s PRO 118 Ca 0.32 0.21 -0.22 0.00 0.02 0.00 0.00 61.00 61.32 3jry s PRO 118 Cb -0.18 -1.48 -0.06 0.00 0.02 0.00 0.00 34.50 32.80 3jry s PRO 118 CO 0.17 -4.30 1.33 -1.83 -0.33 0.00 0.00 177.00 172.04 3jry s GLU 119 N -5.06 3.32 0.46 5.54 -1.05 -1.26 -4.81 118.70 115.85 3jry s GLU 119 Ca 0.69 2.18 0.24 0.00 -0.15 0.00 0.00 54.97 57.93 3jry s GLU 119 Cb -0.14 -2.34 1.25 0.00 -0.44 0.00 0.00 34.13 32.46 3jry s GLU 119 CO 0.59 -1.03 1.84 0.28 0.95 0.00 0.00 175.26 177.89 3jry h VAL 120 N 1.64 0.57 -0.64 1.83 2.07 -2.01 0.14 116.25 119.85 3jry h VAL 120 Ca -0.51 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3jry h VAL 120 Cb 1.29 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3jry h VAL 120 CO 0.58 0.04 0.11 0.44 0.02 0.00 0.00 177.57 178.77 3jry h ASP 121 N 0.24 1.02 -0.13 0.57 3.32 -2.00 -2.40 116.42 117.04 3jry h ASP 121 Ca 0.50 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3jry h ASP 121 Cb 1.54 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 3jry h ASP 121 CO -0.14 1.02 0.01 0.58 -1.72 0.00 0.00 179.24 178.98 3jry h VAL 122 N 0.98 1.24 0.03 -1.35 2.07 -1.32 -2.17 116.25 115.74 3jry h VAL 122 Ca 0.20 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3jry h VAL 122 Cb 0.43 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3jry h VAL 122 CO 0.01 0.23 -0.19 0.24 0.02 0.00 0.00 177.57 177.88 3jry h MET 123 N -0.04 -0.31 -1.00 1.57 2.86 -1.50 -0.88 114.93 115.64 3jry h MET 123 Ca 0.04 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3jry h MET 123 Cb 0.34 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 3jry h MET 123 CO 0.01 -0.21 0.65 0.00 1.06 0.00 0.00 176.91 178.42 3jry h THR 125 N 1.24 1.26 -0.53 0.00 2.02 -1.09 -1.76 112.91 114.06 3jry h THR 125 Ca 0.40 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 3jry h THR 125 Cb 0.04 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3jry h THR 125 CO -0.13 0.38 -0.06 0.00 0.37 0.00 0.00 175.52 176.08 3jry h ALA 126 N 1.05 0.91 -0.38 6.16 0.00 -0.28 -0.50 119.26 126.22 3jry h ALA 126 Ca 0.21 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3jry h ALA 126 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 126 CO 0.01 0.64 -0.20 0.35 0.00 0.00 0.00 179.25 180.05 3jry h PHE 127 N 0.85 0.81 0.00 0.00 3.57 -0.36 -2.36 116.94 119.45 3jry h PHE 127 Ca 0.15 -0.17 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 3jry h PHE 127 Cb 0.58 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3jry h PHE 127 CO 0.04 0.86 -0.84 0.45 -2.23 0.00 0.00 178.31 176.59 3jry h HIS 128 N 0.64 0.00 0.51 0.41 3.86 -1.24 -3.20 115.15 116.13 3jry h HIS 128 Ca 0.10 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3jry h HIS 128 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3jry h HIS 128 CO 0.03 0.64 -0.24 0.22 0.86 0.00 0.00 177.93 179.44 3jry h ASP 129 N 0.00 -0.58 -2.82 2.45 3.58 -0.92 -3.42 116.42 114.71 3jry h ASP 129 Ca -0.05 -0.04 -0.58 0.00 0.42 0.00 0.00 57.03 56.78 3jry h ASP 129 Cb 1.53 0.15 -0.39 0.00 1.72 0.00 0.00 39.33 42.34 3jry h ASP 129 CO 0.08 -0.17 -0.82 0.21 -2.88 0.00 0.00 179.24 175.65 3jry s ASN 130 N -4.78 3.19 0.15 2.28 3.84 -0.90 -5.02 114.94 113.69 3jry s ASN 130 Ca -0.12 -2.20 -0.09 0.00 0.21 0.00 0.00 52.86 50.65 3jry s ASN 130 Cb 0.01 -0.55 -0.02 0.00 -0.55 0.00 0.00 41.25 40.14 3jry s ASN 130 CO 0.40 -0.31 1.45 -0.08 -2.79 0.00 0.00 177.10 175.76 3jry h GLU 131 N 7.08 0.81 -0.49 0.43 4.81 -1.77 -1.57 114.58 123.88 3jry h GLU 131 Ca 0.02 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3jry h GLU 131 Cb 0.96 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3jry h GLU 131 CO 0.33 1.12 0.31 0.93 -0.73 0.00 0.00 179.01 180.97 3jry h GLU 132 N 0.63 0.65 -0.03 1.92 3.07 -1.95 -2.27 114.58 116.59 3jry h GLU 132 Ca 0.02 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.67 3jry h GLU 132 Cb 1.10 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3jry h GLU 132 CO 0.11 0.45 -0.73 1.15 -1.40 0.00 0.00 179.01 178.59 3jry h THR 133 N 0.65 1.44 -0.51 1.13 2.02 -1.94 -2.62 112.91 113.08 3jry h THR 133 Ca 0.18 -2.30 -0.06 0.00 0.77 0.00 0.00 66.41 65.00 3jry h THR 133 Cb -0.05 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3jry h THR 133 CO -0.04 0.67 0.10 0.15 0.37 0.00 0.00 175.52 176.77 3jry h PHE 134 N 0.13 0.88 -0.05 3.16 3.57 -1.13 -2.61 116.94 120.90 3jry h PHE 134 Ca -0.02 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.22 3jry h PHE 134 Cb 1.29 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3jry h PHE 134 CO 0.02 0.80 -0.60 -0.07 -2.23 0.00 0.00 178.31 176.23 3jry h LEU 135 N 0.72 0.19 -0.69 0.59 3.38 -1.37 -3.14 115.31 114.98 3jry h LEU 135 Ca 0.16 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3jry h LEU 135 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3jry h LEU 135 CO 0.01 0.74 -0.53 0.11 0.09 0.00 0.00 178.44 178.86 3jry h LYS 136 N 0.12 0.33 -0.46 1.13 1.57 -1.37 -2.81 116.57 115.08 3jry h LYS 136 Ca -0.01 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 3jry h LYS 136 Cb 1.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3jry h LYS 136 CO 0.09 0.78 0.07 0.87 -0.57 0.00 0.00 179.45 180.69 3jry h LYS 137 N 0.26 0.71 0.28 3.15 1.57 -1.46 -1.41 116.57 119.67 3jry h LYS 137 Ca 0.01 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3jry h LYS 137 Cb 1.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 3jry h LYS 137 CO 0.09 0.68 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.56 3jry h TYR 138 N 0.68 -0.42 -0.68 -1.35 3.20 -1.46 -1.71 116.97 115.23 3jry h TYR 138 Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3jry h TYR 138 Cb 0.32 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 3jry h TYR 138 CO 0.02 -0.26 0.37 -0.07 -1.64 0.00 0.00 178.16 176.58 3jry h LEU 139 N -0.42 0.55 -0.36 2.82 3.38 -1.29 -2.88 115.31 117.11 3jry h LEU 139 Ca -0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3jry h LEU 139 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3jry h LEU 139 CO 0.03 0.35 -0.00 0.22 0.09 0.00 0.00 178.44 179.14 3jry h TYR 140 N 0.68 0.69 -0.14 1.13 3.20 -1.08 -1.15 116.97 120.30 3jry h TYR 140 Ca 0.31 -0.12 -0.15 0.00 3.14 0.00 0.00 58.73 61.90 3jry h TYR 140 Cb 0.20 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3jry h TYR 140 CO -0.08 0.74 -0.56 0.93 -1.64 0.00 0.00 178.16 177.55 3jry h GLU 141 N 0.45 0.43 0.01 1.82 4.39 -1.29 -2.61 114.58 117.78 3jry h GLU 141 Ca 0.10 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3jry h GLU 141 Cb 0.46 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3jry h GLU 141 CO 0.02 0.88 -0.01 0.82 -1.16 0.00 0.00 179.01 179.56 3jry h ILE 142 N 0.33 1.37 -0.94 3.13 1.08 -1.50 -3.17 117.51 117.81 3jry h ILE 142 Ca 0.00 -1.17 -0.00 0.00 -0.39 0.00 0.00 64.86 63.30 3jry h ILE 142 Cb 1.08 2.16 -0.05 0.00 -3.07 0.00 0.00 36.82 36.95 3jry h ILE 142 CO 0.10 0.30 0.58 0.00 -0.69 0.00 0.00 178.15 178.44 3jry h ALA 143 N 0.46 1.20 0.00 1.87 0.00 -1.20 -1.33 119.26 120.26 3jry h ALA 143 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3jry h ALA 143 Cb 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3jry h ALA 143 CO 0.00 0.64 0.00 0.07 0.00 0.00 0.00 179.25 179.96 3jry h ARG 144 N 1.29 0.00 0.00 0.00 0.11 -1.59 -3.06 114.38 111.13 3jry h ARG 144 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3jry h ARG 144 Cb -0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.00 3jry h ARG 144 CO -0.07 0.00 -0.96 0.00 0.10 0.00 0.00 179.97 179.05 3jry h ARG 145 N 0.00 0.00 -2.56 0.08 3.08 -1.40 -3.42 114.38 110.16 3jry h ARG 145 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3jry h ARG 145 Cb 0.88 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.54 3jry h ARG 145 CO 0.00 0.00 -0.84 0.72 -1.07 0.00 0.00 179.97 178.78 3jry n HIS 146 N -2.65 0.72 0.29 3.04 8.25 -0.55 -4.87 115.22 119.45 3jry n HIS 146 Ca 0.00 -3.70 0.17 0.00 -0.26 0.00 0.00 57.72 53.93 3jry n HIS 146 Cb 0.54 -0.12 0.82 0.00 1.12 0.00 0.00 29.99 32.36 3jry n HIS 146 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3jry h PRO 147 N 5.34 0.00 -0.24 -0.41 0.11 -1.80 -1.06 132.00 133.94 3jry h PRO 147 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3jry h PRO 147 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3jry h PRO 147 CO 0.52 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 3jry n TYR 148 N -2.73 0.30 -1.48 0.65 4.01 -1.26 -4.94 117.16 111.71 3jry n TYR 148 Ca -0.01 -0.19 -0.47 0.00 -0.16 0.00 0.00 57.90 57.07 3jry n TYR 148 Cb 0.14 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 3jry n TYR 148 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3jry n PHE 149 N 1.14 0.27 -2.13 -0.72 7.35 -0.40 -4.67 117.46 118.29 3jry n PHE 149 Ca 0.14 0.87 -0.42 0.00 -0.76 0.00 0.00 57.45 57.28 3jry n PHE 149 Cb 0.51 -2.08 -0.03 0.00 0.35 0.00 0.00 39.48 38.23 3jry n PHE 149 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3jry s TYR 150 N -0.92 1.97 0.16 -5.13 5.04 -1.26 -4.92 117.35 112.28 3jry s TYR 150 Ca 0.64 0.65 -0.21 0.00 -2.44 0.00 0.00 57.07 55.71 3jry s TYR 150 Cb -0.86 -4.19 0.05 0.00 0.35 0.00 0.00 41.96 37.30 3jry s TYR 150 CO 0.57 -2.50 1.63 0.00 -1.34 0.00 0.00 175.55 173.92 3jry h ALA 151 N 12.59 -0.06 0.00 3.97 0.00 -1.95 -1.38 119.26 132.42 3jry h ALA 151 Ca -0.30 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3jry h ALA 151 Cb 1.14 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 3jry h ALA 151 CO 1.10 -0.64 -0.10 -1.35 0.00 0.00 0.00 179.25 178.26 3jry h PRO 152 N -0.21 0.00 0.01 0.00 0.11 -1.93 -2.52 132.00 127.46 3jry h PRO 152 Ca 0.15 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.04 3jry h PRO 152 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3jry h PRO 152 CO -0.41 0.10 -0.95 0.93 -0.21 0.00 0.00 178.00 177.46 3jry h GLU 153 N 0.00 0.38 -0.58 1.05 4.39 -1.68 -3.11 114.58 115.03 3jry h GLU 153 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3jry h GLU 153 Cb 0.53 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3jry h GLU 153 CO 0.01 1.09 0.38 1.25 -1.16 0.00 0.00 179.01 180.59 3jry h LEU 154 N 0.21 0.67 -0.98 1.33 5.85 -0.98 -0.66 115.31 120.75 3jry h LEU 154 Ca -0.08 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3jry h LEU 154 Cb 1.58 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 3jry h LEU 154 CO 0.16 0.49 0.64 -0.07 -0.34 0.00 0.00 178.44 179.32 3jry h LEU 155 N 0.79 1.07 -0.33 2.25 3.38 -1.46 -1.24 115.31 119.77 3jry h LEU 155 Ca 0.21 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3jry h LEU 155 Cb -0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3jry h LEU 155 CO -0.05 0.72 -0.28 0.15 0.09 0.00 0.00 178.44 179.08 3jry h PHE 156 N 1.23 0.91 0.04 1.13 3.57 -1.18 -1.88 116.94 120.77 3jry h PHE 156 Ca 0.39 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3jry h PHE 156 Cb 0.02 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3jry h PHE 156 CO -0.00 1.02 -0.15 0.74 -2.23 0.00 0.00 178.31 177.69 3jry h PHE 157 N 0.53 -0.38 -0.21 0.41 0.04 -0.92 -2.14 116.94 114.26 3jry h PHE 157 Ca 0.06 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3jry h PHE 157 Cb 0.85 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 3jry h PHE 157 CO 0.07 -0.22 0.14 0.00 -0.60 0.00 0.00 178.31 177.70 3jry h ALA 158 N 0.64 1.91 -0.43 2.45 0.00 -1.17 0.25 119.26 122.90 3jry h ALA 158 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3jry h ALA 158 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3jry h ALA 158 CO -0.12 0.07 -0.31 -0.22 0.00 0.00 0.00 179.25 178.68 3jry h LYS 159 N 0.24 0.96 -0.08 0.00 3.64 -1.10 -1.69 116.57 118.54 3jry h LYS 159 Ca 0.08 -0.46 -0.14 0.00 -1.27 0.00 0.00 60.65 58.87 3jry h LYS 159 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3jry h LYS 159 CO -0.02 1.12 -0.56 0.00 -2.27 0.00 0.00 179.45 177.73 3jry h ARG 160 N 0.80 0.24 -0.01 1.90 3.08 -0.51 -2.69 114.38 117.18 3jry h ARG 160 Ca 0.08 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3jry h ARG 160 Cb 0.90 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3jry h ARG 160 CO 0.08 0.73 0.00 -0.92 -1.07 0.00 0.00 179.97 178.80 3jry h TYR 161 N 0.18 0.01 -0.99 3.04 3.20 -0.46 -2.21 116.97 119.75 3jry h TYR 161 Ca -0.00 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.00 3jry h TYR 161 Cb 1.04 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.22 3jry h TYR 161 CO 0.02 0.18 0.61 -0.22 -1.64 0.00 0.00 178.16 177.12 3jry h LYS 162 N -0.16 0.89 -0.20 1.82 3.64 -1.32 -2.41 116.57 118.83 3jry h LYS 162 Ca 0.00 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3jry h LYS 162 Cb 0.18 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3jry h LYS 162 CO -0.00 0.59 -0.25 0.00 -2.27 0.00 0.00 179.45 177.52 3jry h ALA 163 N 1.56 1.19 -0.29 5.00 0.00 -1.12 -1.32 119.26 124.28 3jry h ALA 163 Ca 0.51 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3jry h ALA 163 Cb 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3jry h ALA 163 CO -0.30 0.52 -0.42 0.00 0.00 0.00 0.00 179.25 179.06 3jry h ALA 164 N 1.40 0.44 -0.25 0.00 0.00 -0.91 -2.83 119.26 117.11 3jry h ALA 164 Ca 0.05 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3jry h ALA 164 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3jry h ALA 164 CO 0.05 0.56 -0.07 0.74 0.00 0.00 0.00 179.25 180.53 3jry h PHE 165 N 0.55 0.54 -0.80 0.00 0.04 -1.35 -1.86 116.94 114.07 3jry h PHE 165 Ca 0.03 -0.12 0.09 0.00 2.80 0.00 0.00 57.97 60.78 3jry h PHE 165 Cb 1.01 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.98 3jry h PHE 165 CO 0.07 0.71 0.52 1.15 -0.60 0.00 0.00 178.31 180.16 3jry h THR 166 N 0.22 0.95 0.12 -1.55 2.02 -1.28 -1.66 112.91 111.74 3jry h THR 166 Ca 0.06 -0.26 -0.34 0.00 0.77 0.00 0.00 66.41 66.65 3jry h THR 166 Cb 0.54 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3jry h THR 166 CO 0.03 0.14 -1.82 -0.08 0.37 0.00 0.00 175.52 174.16 3jry h GLU 167 N 0.75 0.26 0.00 6.66 4.81 -1.48 -3.40 114.58 122.17 3jry h GLU 167 Ca 0.37 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 3jry h GLU 167 Cb 0.44 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3jry h GLU 167 CO -0.14 1.21 -0.94 0.00 -0.73 0.00 0.00 179.01 178.41 3jry n GLN 170 N -1.04 2.78 -4.44 0.00 10.64 -1.22 -5.05 117.38 119.04 3jry n GLN 170 Ca 0.10 -3.86 -0.22 0.00 -1.83 0.00 0.00 57.00 51.18 3jry n GLN 170 Cb 0.06 -1.97 -0.10 0.00 -0.86 0.00 0.00 30.24 27.37 3jry n GLN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3jry s ALA 171 N -3.64 2.53 0.10 2.61 0.00 -1.02 -5.06 121.76 117.28 3jry s ALA 171 Ca 0.41 -1.84 -0.34 0.00 0.00 0.00 0.00 51.96 50.18 3jry s ALA 171 Cb 0.37 -0.16 -0.15 0.00 0.00 0.00 0.00 23.12 23.18 3jry s ALA 171 CO 0.00 0.17 1.55 0.00 0.00 0.00 0.00 175.76 177.48 3jry h ALA 172 N 2.33 -1.05 -2.70 0.00 0.00 -1.97 -3.31 119.26 112.55 3jry h ALA 172 Ca -0.40 -0.14 -0.73 0.00 0.00 0.00 0.00 54.91 53.65 3jry h ALA 172 Cb 1.25 0.84 -0.30 0.00 0.00 0.00 0.00 17.79 19.58 3jry h ALA 172 CO 0.62 -1.14 -0.34 0.34 0.00 0.00 0.00 179.25 178.73 3jry s ASP 173 N -4.51 5.76 0.02 0.00 -1.08 -1.26 -4.97 116.67 110.63 3jry s ASP 173 Ca -0.17 -2.09 -0.26 0.00 -0.52 0.00 0.00 52.55 49.51 3jry s ASP 173 Cb 0.05 -2.02 -0.17 0.00 -1.46 0.00 0.00 42.92 39.33 3jry s ASP 173 CO 0.59 -0.65 1.31 0.11 0.52 0.00 0.00 175.17 177.05 3jry h LYS 174 N 8.24 -0.51 -0.64 4.34 1.57 -1.78 -2.91 116.57 124.88 3jry h LYS 174 Ca -0.16 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3jry h LYS 174 Cb 1.06 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3jry h LYS 174 CO 0.84 -0.21 0.44 0.00 -0.57 0.00 0.00 179.45 179.95 3jry h ALA 175 N -0.32 2.32 0.00 3.86 0.00 -1.93 0.53 119.26 123.72 3jry h ALA 175 Ca -0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3jry h ALA 175 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3jry h ALA 175 CO 0.09 -0.50 -0.29 0.00 0.00 0.00 0.00 179.25 178.54 3jry h ALA 176 N 1.69 0.89 0.06 0.00 0.00 -1.96 -2.72 119.26 117.22 3jry h ALA 176 Ca 0.31 -0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 3jry h ALA 176 Cb 0.94 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3jry h ALA 176 CO -0.06 0.37 -1.93 0.00 0.00 0.00 0.00 179.25 177.64 3jry h LEU 178 N 0.04 0.00 -1.48 0.00 5.85 -1.02 -3.38 115.31 115.32 3jry h LEU 178 Ca -0.38 -0.66 0.09 0.00 0.84 0.00 0.00 57.88 57.77 3jry h LEU 178 Cb 2.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 3jry h LEU 178 CO 0.07 1.17 0.45 -0.07 -0.34 0.00 0.00 178.44 179.73 3jry h LEU 179 N -1.00 0.53 -1.17 2.25 3.38 -1.71 -0.92 115.31 116.67 3jry h LEU 179 Ca -0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3jry h LEU 179 Cb 1.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3jry h LEU 179 CO -0.09 0.33 -0.19 -0.65 0.09 0.00 0.00 178.44 177.93 3jry h PRO 180 N 0.60 0.00 0.11 1.13 0.11 -1.80 -1.22 132.00 130.93 3jry h PRO 180 Ca 0.31 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.12 3jry h PRO 180 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3jry h PRO 180 CO -0.10 0.19 -1.48 0.87 -0.21 0.00 0.00 178.00 177.27 3jry h LYS 181 N 0.00 0.24 -0.15 1.05 1.57 -1.38 -3.04 116.57 114.87 3jry h LYS 181 Ca -0.00 -0.42 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 3jry h LYS 181 Cb 0.71 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3jry h LYS 181 CO 0.02 1.12 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.50 3jry h LEU 182 N 0.07 0.65 -0.95 2.94 3.38 -1.21 -2.21 115.31 117.98 3jry h LEU 182 Ca -0.22 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.13 3jry h LEU 182 Cb 2.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 3jry h LEU 182 CO 0.17 1.13 0.42 0.44 0.09 0.00 0.00 178.44 180.68 3jry h ASP 183 N 0.20 1.05 -0.02 -0.43 3.32 -1.36 -0.70 116.42 118.49 3jry h ASP 183 Ca -0.01 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.77 3jry h ASP 183 Cb 1.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3jry h ASP 183 CO 0.10 0.87 -0.52 -0.08 -1.72 0.00 0.00 179.24 177.89 3jry h GLU 184 N 1.16 0.59 -0.42 3.56 4.81 -1.54 -2.68 114.58 120.07 3jry h GLU 184 Ca 0.29 -0.36 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 3jry h GLU 184 Cb 0.08 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3jry h GLU 184 CO -0.04 0.96 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.11 3jry h LEU 185 N 0.46 0.75 -0.83 1.64 3.38 -1.03 -2.25 115.31 117.42 3jry h LEU 185 Ca 0.02 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3jry h LEU 185 Cb 1.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3jry h LEU 185 CO 0.10 0.89 0.47 -0.09 0.09 0.00 0.00 178.44 179.90 3jry h ARG 186 N 0.58 1.15 -0.34 1.13 2.43 -1.09 -0.73 114.38 117.51 3jry h ARG 186 Ca 0.11 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3jry h ARG 186 Cb 0.53 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3jry h ARG 186 CO 0.03 0.83 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.77 3jry h ASP 187 N 1.15 0.57 -0.23 -3.80 3.32 -1.42 -2.34 116.42 113.67 3jry h ASP 187 Ca 0.29 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 3jry h ASP 187 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3jry h ASP 187 CO -0.05 0.72 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.67 3jry h GLU 188 N 0.54 0.70 -0.75 3.56 4.81 -0.82 -3.00 114.58 119.61 3jry h GLU 188 Ca 0.10 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3jry h GLU 188 Cb 0.52 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3jry h GLU 188 CO 0.03 1.07 0.32 0.78 -0.73 0.00 0.00 179.01 180.48 3jry h GLY 189 N 0.41 1.18 0.90 1.92 0.00 -1.05 -1.23 103.07 105.19 3jry h GLY 189 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3jry h GLY 189 CO 0.10 0.58 0.07 0.50 0.00 0.00 0.00 176.54 177.79 3jry h LYS 190 N 1.08 0.22 -0.77 4.80 1.57 -1.39 -1.01 116.57 121.08 3jry h LYS 190 Ca 0.25 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3jry h LYS 190 Cb 0.17 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3jry h LYS 190 CO -0.03 0.28 0.33 0.00 -0.57 0.00 0.00 179.45 179.46 3jry h ALA 191 N 0.93 0.99 -0.11 3.86 0.00 -1.41 -2.49 119.26 121.03 3jry h ALA 191 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3jry h ALA 191 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3jry h ALA 191 CO -0.01 0.60 -0.04 1.03 0.00 0.00 0.00 179.25 180.84 3jry h SER 192 N 1.10 -0.13 -0.35 0.00 0.87 -1.06 -1.92 113.55 112.07 3jry h SER 192 Ca 0.26 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3jry h SER 192 Cb 0.18 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3jry h SER 192 CO -0.02 -0.05 0.09 -1.28 -0.53 0.00 0.00 176.83 175.04 3jry h SER 193 N -0.02 0.59 -0.16 6.23 0.87 -1.10 -2.47 113.55 117.49 3jry h SER 193 Ca 0.06 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 3jry h SER 193 Cb 0.10 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3jry h SER 193 CO -0.12 0.60 -0.31 0.00 -0.53 0.00 0.00 176.83 176.46 3jry h ALA 194 N 1.49 0.26 -0.64 6.23 0.00 -1.08 -1.91 119.26 123.60 3jry h ALA 194 Ca 0.14 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3jry h ALA 194 Cb 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3jry h ALA 194 CO -0.00 0.29 0.28 0.87 0.00 0.00 0.00 179.25 180.69 3jry h LYS 195 N 0.14 0.48 -0.44 0.00 1.57 -1.30 -3.04 116.57 113.98 3jry h LYS 195 Ca 0.01 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3jry h LYS 195 Cb 0.91 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3jry h LYS 195 CO 0.07 0.32 -0.28 0.37 -0.57 0.00 0.00 179.45 179.35 3jry h GLN 196 N 0.49 0.96 -0.08 3.15 5.75 -1.32 -2.92 115.11 121.14 3jry h GLN 196 Ca 0.32 -0.44 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3jry h GLN 196 Cb 0.36 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 3jry h GLN 196 CO -0.28 1.11 0.06 -0.09 -2.65 0.00 0.00 178.83 176.98 3jry h ARG 197 N 0.81 0.00 -0.06 1.69 9.65 -1.24 -0.35 114.38 124.88 3jry h ARG 197 Ca 0.09 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.79 3jry h ARG 197 Cb 0.86 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 3jry h ARG 197 CO 0.08 0.00 -0.72 1.25 2.80 0.00 0.00 179.97 183.37 3jry h LEU 198 N 0.00 0.40 -0.54 3.80 5.85 -1.46 -2.64 115.31 120.72 3jry h LEU 198 Ca 0.04 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 3jry h LEU 198 Cb 0.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3jry h LEU 198 CO -0.00 0.99 -0.06 0.11 -0.34 0.00 0.00 178.44 179.15 3jry h LYS 199 N 0.23 0.99 -0.31 1.25 1.57 -0.96 -2.04 116.57 117.31 3jry h LYS 199 Ca -0.03 -0.35 -0.18 0.00 -1.87 0.00 0.00 60.65 58.22 3jry h LYS 199 Cb 1.29 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 3jry h LYS 199 CO 0.12 1.02 -0.52 0.00 -0.57 0.00 0.00 179.45 179.50 3jry h ALA 201 N 0.70 0.72 0.30 0.00 0.00 -1.43 0.44 119.26 119.99 3jry h ALA 201 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jry h ALA 201 Cb 1.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3jry h ALA 201 CO 0.12 0.01 -0.46 0.77 0.00 0.00 0.00 179.25 179.69 3jry h SER 202 N 0.62 -1.31 -0.42 0.00 0.02 -1.30 0.35 113.55 111.51 3jry h SER 202 Ca 0.23 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.36 3jry h SER 202 Cb 0.08 0.46 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 3jry h SER 202 CO -0.13 -0.57 0.15 -0.07 -1.14 0.00 0.00 176.83 175.07 3jry h LEU 203 N -0.82 0.15 0.09 5.07 3.38 -1.31 -0.34 115.31 121.54 3jry h LEU 203 Ca -0.02 0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 3jry h LEU 203 Cb 0.77 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.56 3jry h LEU 203 CO -0.16 0.12 -1.22 1.56 0.09 0.00 0.00 178.44 178.84 3jry h GLN 204 N 0.31 0.35 0.00 1.13 4.20 -0.75 -2.91 115.11 117.45 3jry h GLN 204 Ca 0.20 -0.54 -0.38 0.00 0.06 0.00 0.00 58.65 57.99 3jry h GLN 204 Cb 0.18 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 28.09 3jry h GLN 204 CO -0.20 1.24 -2.44 1.63 -0.67 0.00 0.00 178.83 178.39 3jry n LYS 205 N -3.61 0.66 -0.00 1.46 4.76 0.12 -4.67 118.16 116.89 3jry n LYS 205 Ca -0.09 0.11 0.06 0.00 -2.87 0.00 0.00 58.31 55.52 3jry n LYS 205 Cb 1.00 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.58 3jry n LYS 205 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3jry n PHE 206 N -3.12 0.00 0.00 2.13 3.72 -0.59 -5.06 117.46 114.54 3jry n PHE 206 Ca -0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 3jry n PHE 206 Cb 1.04 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 3jry n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jry n GLY 207 N 1.50 1.88 0.34 1.37 0.00 -0.24 -4.41 105.19 105.63 3jry n GLY 207 Ca 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.16 3jry n GLY 207 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jry h GLU 208 N 0.00 0.81 -0.88 1.61 4.81 -1.83 -1.86 114.58 117.24 3jry h GLU 208 Ca 0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3jry h GLU 208 Cb 0.00 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 3jry h GLU 208 CO 0.00 0.54 0.58 -0.09 -0.73 0.00 0.00 179.01 179.31 3jry h ARG 209 N 0.84 1.03 0.15 1.92 2.43 -1.96 -1.56 114.38 117.23 3jry h ARG 209 Ca 0.48 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 3jry h ARG 209 Cb 0.54 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3jry h ARG 209 CO -0.30 0.68 -0.07 0.00 -1.51 0.00 0.00 179.97 178.78 3jry h ALA 210 N 1.50 -0.20 -0.63 2.80 0.00 -1.55 -2.41 119.26 118.78 3jry h ALA 210 Ca 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3jry h ALA 210 Cb 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3jry h ALA 210 CO -0.12 -0.59 0.41 0.35 0.00 0.00 0.00 179.25 179.30 3jry h PHE 211 N -0.24 0.77 -0.38 0.00 3.57 -1.42 -2.56 116.94 116.69 3jry h PHE 211 Ca -0.02 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3jry h PHE 211 Cb 0.18 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3jry h PHE 211 CO -0.06 0.47 0.02 0.87 -2.23 0.00 0.00 178.31 177.38 3jry h LYS 212 N 0.83 0.60 -0.00 1.11 1.57 -1.23 -0.97 116.57 118.48 3jry h LYS 212 Ca 0.24 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3jry h LYS 212 Cb -0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3jry h LYS 212 CO -0.06 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 3jry h ALA 213 N 1.45 0.00 -0.54 3.86 0.00 -1.24 -0.20 119.26 122.60 3jry h ALA 213 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3jry h ALA 213 Cb 0.34 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3jry h ALA 213 CO 0.01 -0.46 0.10 2.35 0.00 0.00 0.00 179.25 181.25 3jry h TRP 214 N -0.08 0.15 -0.45 0.00 7.01 -1.05 -2.19 115.95 119.34 3jry h TRP 214 Ca 0.00 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.89 3jry h TRP 214 Cb 0.08 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 3jry h TRP 214 CO -0.05 -0.03 -0.28 0.00 -2.79 0.00 0.00 178.44 175.29 3jry h ALA 215 N 1.43 0.64 -0.18 2.65 0.00 -0.96 -0.75 119.26 122.10 3jry h ALA 215 Ca 0.28 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3jry h ALA 215 Cb 0.39 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 215 CO -0.37 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 179.72 3jry h VAL 216 N 0.83 0.66 -0.23 0.00 2.07 -0.83 -0.87 116.25 117.87 3jry h VAL 216 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3jry h VAL 216 Cb 0.87 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3jry h VAL 216 CO 0.08 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.79 3jry h ALA 217 N 1.03 0.30 0.12 1.67 0.00 -1.23 -2.04 119.26 119.11 3jry h ALA 217 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jry h ALA 217 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3jry h ALA 217 CO -0.25 -0.16 -0.06 -0.09 0.00 0.00 0.00 179.25 178.69 3jry h ARG 218 N 0.26 -0.15 0.00 0.00 9.65 -1.00 -2.69 114.38 120.45 3jry h ARG 218 Ca 0.08 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3jry h ARG 218 Cb 0.08 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3jry h ARG 218 CO -0.01 0.07 -0.11 -0.07 2.80 0.00 0.00 179.97 182.65 3jry h LEU 219 N -0.36 0.00 -0.18 3.80 3.38 -1.20 -2.53 115.31 118.22 3jry h LEU 219 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 3jry h LEU 219 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3jry h LEU 219 CO 0.03 0.11 -0.81 0.28 0.09 0.00 0.00 178.44 178.14 3jry h SER 220 N 0.00 0.87 -0.86 -0.43 0.02 -1.22 0.16 113.55 112.09 3jry h SER 220 Ca -0.00 -0.59 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 3jry h SER 220 Cb 0.47 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3jry h SER 220 CO 0.01 1.38 0.56 1.56 -1.14 0.00 0.00 176.83 179.20 3jry h GLN 221 N 0.48 1.14 0.18 3.45 4.20 -1.15 -3.05 115.11 120.36 3jry h GLN 221 Ca -0.06 -0.08 -0.34 0.00 0.06 0.00 0.00 58.65 58.23 3jry h GLN 221 Cb 1.43 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.97 3jry h GLN 221 CO 0.16 0.76 -1.70 -0.09 -0.67 0.00 0.00 178.83 177.30 3jry h ARG 222 N 1.17 0.38 -2.29 1.46 2.43 -1.28 -3.39 114.38 112.87 3jry h ARG 222 Ca 0.31 -0.65 -0.64 0.00 -0.81 0.00 0.00 59.98 58.19 3jry h ARG 222 Cb -0.12 0.24 -0.39 0.00 -0.42 0.00 0.00 29.97 29.29 3jry h ARG 222 CO -0.07 1.29 -0.27 1.19 -1.51 0.00 0.00 179.97 180.61 3jry n PHE 223 N -3.57 3.74 0.27 2.20 3.72 0.54 -2.14 117.46 122.22 3jry n PHE 223 Ca -0.23 -3.69 0.18 0.00 -0.05 0.00 0.00 57.45 53.67 3jry n PHE 223 Cb 1.07 -0.65 0.92 0.00 -0.94 0.00 0.00 39.48 39.88 3jry n PHE 223 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3jry h PRO 224 N 3.35 0.00 0.00 -1.08 0.11 -1.72 -1.84 132.00 130.82 3jry h PRO 224 Ca 0.22 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 3jry h PRO 224 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3jry h PRO 224 CO 0.90 0.00 -0.73 0.87 -0.21 0.00 0.00 178.00 178.83 3jry h LYS 225 N 0.00 0.00 -6.83 1.05 1.57 -1.83 -3.43 116.57 107.10 3jry h LYS 225 Ca 0.05 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 3jry h LYS 225 Cb 0.46 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.82 3jry h LYS 225 CO -0.00 0.19 0.62 0.00 -0.57 0.00 0.00 179.45 179.69 3jry s ALA 226 N -3.12 3.49 1.01 3.86 0.00 -0.69 -4.94 121.76 121.37 3jry s ALA 226 Ca 0.02 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 3jry s ALA 226 Cb 0.08 -3.46 0.15 0.00 0.00 0.00 0.00 23.12 19.89 3jry s ALA 226 CO 0.76 -0.55 0.79 0.39 0.00 0.00 0.00 175.76 177.15 3jry n GLU 227 N 1.22 -1.02 -0.07 0.00 -0.58 -1.26 -4.78 120.64 114.15 3jry n GLU 227 Ca 0.01 -0.25 -0.06 0.00 -0.42 0.00 0.00 57.16 56.44 3jry n GLU 227 Cb 0.42 -2.12 0.12 0.00 -0.57 0.00 0.00 31.44 29.29 3jry n GLU 227 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3jry h PHE 228 N -2.02 0.80 -0.80 -0.32 3.57 -1.99 -1.75 116.94 114.43 3jry h PHE 228 Ca -0.49 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 60.83 3jry h PHE 228 Cb 1.30 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 3jry h PHE 228 CO 0.38 0.86 0.45 0.00 -2.23 0.00 0.00 178.31 177.77 3jry h ALA 229 N 1.14 1.02 -0.36 2.41 0.00 -1.99 -0.43 119.26 121.05 3jry h ALA 229 Ca 0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3jry h ALA 229 Cb 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3jry h ALA 229 CO 0.05 0.52 -0.30 0.93 0.00 0.00 0.00 179.25 180.46 3jry h GLU 230 N 1.11 0.78 -0.06 0.00 4.39 -1.86 -1.95 114.58 116.98 3jry h GLU 230 Ca 0.28 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3jry h GLU 230 Cb 0.02 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3jry h GLU 230 CO -0.05 0.97 0.04 0.28 -1.16 0.00 0.00 179.01 179.10 3jry h VAL 231 N 0.66 1.03 -0.98 3.13 2.07 -1.08 -2.72 116.25 118.36 3jry h VAL 231 Ca 0.08 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3jry h VAL 231 Cb 0.83 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3jry h VAL 231 CO 0.07 0.03 0.65 0.28 0.02 0.00 0.00 177.57 178.62 3jry h SER 232 N 0.07 1.13 -0.48 0.57 0.02 -0.92 -0.46 113.55 113.47 3jry h SER 232 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jry h SER 232 Cb 0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3jry h SER 232 CO -0.00 0.81 0.32 0.50 -1.14 0.00 0.00 176.83 177.32 3jry h LYS 233 N 1.33 0.63 -0.37 3.45 3.11 -1.29 -0.91 116.57 122.52 3jry h LYS 233 Ca 0.36 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.13 3jry h LYS 233 Cb -0.15 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 30.92 3jry h LYS 233 CO -0.08 0.42 0.11 -0.07 -2.81 0.00 0.00 179.45 177.02 3jry h LEU 234 N 0.65 0.55 -0.62 5.20 3.38 -1.06 -2.19 115.31 121.23 3jry h LEU 234 Ca 0.18 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3jry h LEU 234 Cb -0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 3jry h LEU 234 CO -0.04 0.62 0.27 0.58 0.09 0.00 0.00 178.44 179.96 3jry h VAL 235 N 0.46 0.84 -0.51 1.22 2.07 -0.80 -0.02 116.25 119.51 3jry h VAL 235 Ca 0.12 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3jry h VAL 235 Cb 0.27 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3jry h VAL 235 CO -0.00 0.09 0.26 0.74 0.02 0.00 0.00 177.57 178.67 3jry h THR 236 N 0.49 1.19 -0.37 2.57 2.02 -0.94 -0.81 112.91 117.05 3jry h THR 236 Ca 0.30 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3jry h THR 236 Cb 0.31 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3jry h THR 236 CO -0.26 0.21 -0.17 0.44 0.37 0.00 0.00 175.52 176.11 3jry h ASP 237 N 0.68 0.79 -0.02 4.18 3.32 -0.98 -2.88 116.42 121.50 3jry h ASP 237 Ca 0.18 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3jry h ASP 237 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3jry h ASP 237 CO -0.02 1.01 -0.16 0.25 -1.72 0.00 0.00 179.24 178.60 3jry h LEU 238 N 0.56 0.32 -0.44 1.55 5.85 -0.86 -2.63 115.31 119.66 3jry h LEU 238 Ca 0.08 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3jry h LEU 238 Cb 0.71 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3jry h LEU 238 CO 0.05 0.51 -0.47 0.74 -0.34 0.00 0.00 178.44 178.93 3jry h THR 239 N 0.31 1.29 -0.26 1.05 2.02 -1.12 -2.74 112.91 113.46 3jry h THR 239 Ca 0.06 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 3jry h THR 239 Cb 0.47 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3jry h THR 239 CO 0.03 0.54 0.12 0.50 0.37 0.00 0.00 175.52 177.08 3jry h LYS 240 N 0.62 0.37 -0.16 6.66 3.64 -1.29 -1.49 116.57 124.92 3jry h LYS 240 Ca 0.03 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3jry h LYS 240 Cb 1.04 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 3jry h LYS 240 CO 0.10 0.37 -0.38 0.28 -2.27 0.00 0.00 179.45 177.56 3jry h VAL 241 N 0.28 0.20 0.00 2.00 2.07 -1.39 -1.48 116.25 117.93 3jry h VAL 241 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3jry h VAL 241 Cb 0.13 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3jry h VAL 241 CO -0.01 0.00 -0.24 0.45 0.02 0.00 0.00 177.57 177.79 3jry h HIS 242 N -0.44 0.00 -0.34 1.57 3.86 -1.46 -1.39 115.15 116.95 3jry h HIS 242 Ca 0.09 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 3jry h HIS 242 Cb 0.59 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3jry h HIS 242 CO -0.46 0.24 -0.11 1.15 0.86 0.00 0.00 177.93 179.61 3jry h THR 243 N 0.00 1.28 -0.10 2.45 2.02 -0.91 -0.13 112.91 117.52 3jry h THR 243 Ca -0.00 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 3jry h THR 243 Cb 0.79 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3jry h THR 243 CO 0.03 0.39 -0.05 -0.33 0.37 0.00 0.00 175.52 175.93 3jry h GLU 244 N 0.46 0.21 -0.07 6.66 5.08 -0.98 -1.53 114.58 124.41 3jry h GLU 244 Ca 0.08 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3jry h GLU 244 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3jry h GLU 244 CO 0.04 0.56 -0.03 0.00 -1.00 0.00 0.00 179.01 178.58 3jry n HIS 247 N -3.54 0.14 -0.92 0.00 -0.00 -0.58 -4.92 115.22 105.39 3jry n HIS 247 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 3jry n HIS 247 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 3jry n HIS 247 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3jry n GLY 248 N 1.15 0.50 3.10 1.57 0.00 -0.78 -4.99 105.19 105.74 3jry n GLY 248 Ca 0.17 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3jry n GLY 248 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jry n ASP 249 N 0.67 5.75 -0.02 1.61 8.00 0.14 -4.86 116.55 127.84 3jry n ASP 249 Ca 0.00 -3.20 -0.17 0.00 0.71 0.00 0.00 54.79 52.12 3jry n ASP 249 Cb 0.00 -1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 39.64 3jry n ASP 249 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jry h LEU 250 N 6.87 0.90 -0.44 0.64 3.38 -1.88 -2.53 115.31 122.24 3jry h LEU 250 Ca 0.26 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.63 3jry h LEU 250 Cb 0.70 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3jry h LEU 250 CO 1.34 1.40 0.23 -0.07 0.09 0.00 0.00 178.44 181.43 3jry h LEU 251 N 0.47 0.35 -0.25 1.67 3.38 -1.91 -0.56 115.31 118.45 3jry h LEU 251 Ca -0.06 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 3jry h LEU 251 Cb 1.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3jry h LEU 251 CO 0.16 0.25 -0.85 1.05 0.09 0.00 0.00 178.44 179.14 3jry h GLU 252 N 0.46 0.46 -0.02 1.13 9.09 -1.97 -1.73 114.58 122.00 3jry h GLU 252 Ca 0.19 -0.43 0.03 0.00 0.05 0.00 0.00 59.36 59.20 3jry h GLU 252 Cb 0.08 0.11 -0.05 0.00 -1.65 0.00 0.00 28.75 27.23 3jry h GLU 252 CO -0.12 1.08 -0.28 0.00 0.05 0.00 0.00 179.01 179.74 3jry h ALA 254 N 0.39 1.41 -0.10 0.00 0.00 -1.09 -0.63 119.26 119.23 3jry h ALA 254 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3jry h ALA 254 Cb 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 254 CO -0.25 0.45 -0.15 0.22 0.00 0.00 0.00 179.25 179.51 3jry h ASP 255 N 1.17 0.31 -0.16 0.00 1.82 -0.71 -2.44 116.42 116.41 3jry h ASP 255 Ca 0.42 -0.52 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 3jry h ASP 255 Cb 0.15 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 3jry h ASP 255 CO -0.16 0.78 -0.02 0.44 -1.61 0.00 0.00 179.24 178.66 3jry h ASP 256 N -0.14 0.39 -0.14 2.28 3.32 -0.03 -2.24 116.42 119.87 3jry h ASP 256 Ca 0.01 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3jry h ASP 256 Cb 0.71 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3jry h ASP 256 CO 0.04 0.47 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.92 3jry h ARG 257 N 0.41 0.26 -0.88 3.56 2.43 -1.05 -2.44 114.38 116.66 3jry h ARG 257 Ca 0.09 -0.09 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 3jry h ARG 257 Cb 0.31 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.76 3jry h ARG 257 CO 0.01 0.53 0.51 0.00 -1.51 0.00 0.00 179.97 179.51 3jry h ALA 258 N 0.72 1.31 -0.98 2.80 0.00 -1.10 -1.87 119.26 120.14 3jry h ALA 258 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3jry h ALA 258 Cb 0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3jry h ALA 258 CO 0.01 0.07 0.65 -0.44 0.00 0.00 0.00 179.25 179.54 3jry h ASP 259 N 0.79 1.11 -0.24 0.00 3.32 -1.10 -2.89 116.42 117.41 3jry h ASP 259 Ca 0.45 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.37 3jry h ASP 259 Cb 0.50 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3jry h ASP 259 CO -0.29 0.79 -0.25 0.25 -1.72 0.00 0.00 179.24 178.02 3jry h LEU 260 N 1.30 0.64 -0.81 1.55 5.85 -0.88 -1.18 115.31 121.79 3jry h LEU 260 Ca 0.37 -0.48 0.17 0.00 0.84 0.00 0.00 57.88 58.77 3jry h LEU 260 Cb -0.11 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 40.63 3jry h LEU 260 CO -0.09 0.99 0.34 0.00 -0.34 0.00 0.00 178.44 179.34 3jry h ALA 261 N 0.67 1.19 0.04 1.25 0.00 -1.41 -1.05 119.26 119.94 3jry h ALA 261 Ca 0.04 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3jry h ALA 261 Cb 0.82 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3jry h ALA 261 CO 0.06 -0.24 -1.03 -0.22 0.00 0.00 0.00 179.25 177.83 3jry h LYS 262 N 0.45 0.12 -0.50 0.00 3.64 -1.29 -0.86 116.57 118.13 3jry h LYS 262 Ca 0.46 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3jry h LYS 262 Cb 0.76 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 3jry h LYS 262 CO -0.44 1.04 0.29 -0.92 -2.27 0.00 0.00 179.45 177.15 3jry h TYR 263 N 0.05 0.67 -0.02 1.91 3.20 -0.90 -2.68 116.97 119.20 3jry h TYR 263 Ca -0.05 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 3jry h TYR 263 Cb 1.75 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.80 3jry h TYR 263 CO 0.03 0.48 0.00 0.82 -1.64 0.00 0.00 178.16 177.84 3jry h ILE 264 N 0.67 1.22 0.00 1.81 2.04 -1.03 -2.58 117.51 119.64 3jry h ILE 264 Ca 0.18 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3jry h ILE 264 Cb 0.01 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3jry h ILE 264 CO -0.03 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.29 3jry n GLU 266 N -2.60 0.71 -2.81 0.00 1.02 -0.98 -4.35 120.64 111.64 3jry n GLU 266 Ca -0.01 -0.39 -0.01 0.00 -0.02 0.00 0.00 57.16 56.72 3jry n GLU 266 Cb 0.10 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.08 3jry n GLU 266 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3jry n ASN 267 N -0.80 1.35 -0.12 1.62 3.02 -0.54 -4.93 115.26 114.85 3jry n ASN 267 Ca 0.12 -2.12 -0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3jry n ASN 267 Cb 0.33 -0.40 0.26 0.00 -0.61 0.00 0.00 39.78 39.36 3jry n ASN 267 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3jry h GLN 268 N 2.56 0.80 -0.11 3.52 4.20 -1.74 -2.00 115.11 122.34 3jry h GLN 268 Ca -0.15 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.49 3jry h GLN 268 Cb 1.26 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 3jry h GLN 268 CO 0.19 0.63 0.16 -0.44 -0.67 0.00 0.00 178.83 178.70 3jry h ASP 269 N 0.80 0.00 -0.26 1.46 3.32 -1.92 -0.96 116.42 118.87 3jry h ASP 269 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3jry h ASP 269 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3jry h ASP 269 CO -0.03 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.29 3jry n SER 270 N -3.59 2.77 0.09 6.45 7.64 -0.76 -4.76 113.62 121.46 3jry n SER 270 Ca -0.00 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.05 3jry n SER 270 Cb 0.26 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3jry n SER 270 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3jry n ILE 271 N 0.84 0.60 -3.54 0.44 5.41 -0.69 -4.37 119.36 118.04 3jry n ILE 271 Ca 0.12 0.20 -0.11 0.00 1.00 0.00 0.00 62.75 63.97 3jry n ILE 271 Cb 0.43 -1.03 -0.04 0.00 -0.71 0.00 0.00 39.64 38.29 3jry n ILE 271 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3jry s SER 272 N -5.44 -0.40 0.00 4.38 0.15 -0.45 -4.07 113.70 107.87 3jry s SER 272 Ca 0.00 0.27 0.26 0.00 0.70 0.00 0.00 55.95 57.18 3jry s SER 272 Cb 0.00 0.37 0.62 0.00 -1.71 0.00 0.00 66.02 65.29 3jry s SER 272 CO 0.00 -0.49 1.48 -1.54 1.20 0.00 0.00 173.24 173.89 3jry n SER 273 N 0.34 1.68 -1.18 5.45 3.41 -1.26 -4.14 113.62 117.91 3jry n SER 273 Ca -0.11 -1.37 0.08 0.00 -0.26 0.00 0.00 58.87 57.21 3jry n SER 273 Cb 0.59 0.13 0.26 0.00 -0.26 0.00 0.00 64.21 64.94 3jry n SER 273 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jry n LYS 274 N 0.05 2.77 0.00 4.33 4.76 -1.26 -4.49 118.16 124.32 3jry n LYS 274 Ca 0.14 -2.12 0.11 0.00 -2.87 0.00 0.00 58.31 53.57 3jry n LYS 274 Cb 0.41 -1.62 0.02 0.00 -1.84 0.00 0.00 35.03 32.00 3jry n LYS 274 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3jry n LEU 275 N 0.95 2.21 0.38 -0.35 4.77 -1.26 -4.67 117.00 119.02 3jry n LEU 275 Ca 0.19 -0.82 -0.16 0.00 -0.03 0.00 0.00 56.01 55.20 3jry n LEU 275 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 3jry n LEU 275 CO 0.16 0.40 0.53 0.11 -1.33 0.00 0.00 177.39 177.26 3jry h LYS 276 N 2.87 -0.98 -0.51 3.23 1.79 -1.90 -2.21 116.57 118.86 3jry h LYS 276 Ca 0.00 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.62 3jry h LYS 276 Cb 0.79 0.22 -0.07 0.00 -1.58 0.00 0.00 32.23 31.59 3jry h LYS 276 CO 0.00 -0.65 0.13 1.05 -1.08 0.00 0.00 179.45 178.90 3jry h GLU 277 N -1.02 0.27 -1.00 3.15 9.09 -1.96 -1.50 114.58 121.61 3jry h GLU 277 Ca -0.10 -0.02 0.14 0.00 0.05 0.00 0.00 59.36 59.43 3jry h GLU 277 Cb 0.80 -0.06 -0.09 0.00 -1.65 0.00 0.00 28.75 27.75 3jry h GLU 277 CO 0.13 0.18 0.62 0.00 0.05 0.00 0.00 179.01 179.99 3jry n GLU 280 N 0.17 2.44 -1.71 0.00 1.02 -0.98 -5.06 120.64 116.52 3jry n GLU 280 Ca 0.08 -0.33 -0.29 0.00 -0.02 0.00 0.00 57.16 56.60 3jry n GLU 280 Cb 0.44 -0.82 0.09 0.00 -0.02 0.00 0.00 31.44 31.13 3jry n GLU 280 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3jry s LYS 281 N -0.55 2.03 0.81 3.49 1.02 -1.12 -5.06 119.74 120.36 3jry s LYS 281 Ca 0.01 0.40 -0.11 0.00 0.02 0.00 0.00 55.97 56.28 3jry s LYS 281 Cb 0.01 -1.93 0.08 0.00 -0.52 0.00 0.00 37.83 35.47 3jry s LYS 281 CO 0.03 -1.61 1.13 -2.14 -0.92 0.00 0.00 175.35 171.85 3jry s PRO 282 N -5.33 1.81 0.06 -1.68 0.02 -1.26 -4.62 135.00 124.01 3jry s PRO 282 Ca 0.61 1.42 -0.13 0.00 0.02 0.00 0.00 61.00 62.92 3jry s PRO 282 Cb -0.13 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3jry s PRO 282 CO 0.52 -2.01 1.17 -0.11 -0.33 0.00 0.00 177.00 176.24 3jry n LEU 283 N -3.58 -0.43 -0.03 -5.54 7.94 -1.26 -1.17 117.00 112.92 3jry n LEU 283 Ca 0.11 1.27 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 3jry n LEU 283 Cb 0.52 -0.37 0.30 0.00 0.53 0.00 0.00 43.42 44.41 3jry n LEU 283 CO 0.50 -0.86 1.01 -0.07 -1.11 0.00 0.00 177.39 176.86 3jry h LEU 284 N 0.00 0.55 0.14 -1.96 3.38 -1.97 -2.77 115.31 112.68 3jry h LEU 284 Ca 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3jry h LEU 284 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3jry h LEU 284 CO -0.38 0.55 -0.07 -0.08 0.09 0.00 0.00 178.44 178.55 3jry h GLU 285 N 0.59 -0.18 -0.70 1.13 4.81 -1.71 -2.96 114.58 115.57 3jry h GLU 285 Ca 0.14 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 3jry h GLU 285 Cb 0.22 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.52 3jry h GLU 285 CO -0.00 0.12 0.01 -0.22 -0.73 0.00 0.00 179.01 178.19 3jry h LYS 286 N -0.49 0.12 -0.41 1.92 3.64 -0.85 0.17 116.57 120.67 3jry h LYS 286 Ca -0.02 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3jry h LYS 286 Cb 0.38 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3jry h LYS 286 CO 0.03 0.08 -0.14 0.77 -2.27 0.00 0.00 179.45 177.92 3jry h SER 287 N 0.12 0.84 -0.33 4.20 0.02 -1.58 -0.17 113.55 116.65 3jry h SER 287 Ca 0.38 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3jry h SER 287 Cb 0.64 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3jry h SER 287 CO -0.60 1.03 0.21 -0.74 -1.14 0.00 0.00 176.83 175.59 3jry h HIS 288 N 0.65 0.39 0.26 3.45 -0.00 -1.05 -1.35 115.15 117.50 3jry h HIS 288 Ca 0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3jry h HIS 288 Cb 0.69 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 3jry h HIS 288 CO 0.05 0.24 -0.17 0.00 -0.00 0.00 0.00 177.93 178.06 3jry h ILE 290 N -0.42 1.00 0.00 0.00 2.04 -0.91 -1.43 117.51 117.80 3jry h ILE 290 Ca -0.03 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3jry h ILE 290 Cb 0.35 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3jry h ILE 290 CO 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 178.15 178.14 3jry h ALA 291 N 1.97 1.01 0.00 1.87 0.00 -1.03 -3.27 119.26 119.81 3jry h ALA 291 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jry h ALA 291 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jry h ALA 291 CO -0.00 0.05 -0.17 0.39 0.00 0.00 0.00 179.25 179.52 3jry n GLU 292 N -3.16 0.85 -2.12 0.00 -0.58 -0.60 -5.08 120.64 109.95 3jry n GLU 292 Ca 0.00 -2.05 -0.34 0.00 -0.42 0.00 0.00 57.16 54.35 3jry n GLU 292 Cb 0.33 -1.16 0.01 0.00 -0.57 0.00 0.00 31.44 30.05 3jry n GLU 292 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3jry s VAL 293 N -1.91 3.23 0.66 2.62 0.11 -0.84 -4.99 120.40 119.29 3jry s VAL 293 Ca 0.21 0.70 -0.15 0.00 -2.93 0.00 0.00 61.98 59.82 3jry s VAL 293 Cb 0.19 -3.25 -0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3jry s VAL 293 CO 0.02 -0.23 1.11 -1.83 -3.33 0.00 0.00 175.10 170.84 3jry s GLU 294 N -3.53 2.79 0.15 1.54 -1.05 -1.26 -4.95 118.70 112.39 3jry s GLU 294 Ca 0.71 1.41 -0.32 0.00 -0.15 0.00 0.00 54.97 56.61 3jry s GLU 294 Cb -0.22 -1.95 -0.12 0.00 -0.44 0.00 0.00 34.13 31.40 3jry s GLU 294 CO 0.31 -1.26 1.76 0.09 0.95 0.00 0.00 175.26 177.11 3jry n ASN 295 N -2.41 3.88 -4.66 0.83 3.02 -1.26 -4.91 115.26 109.74 3jry n ASN 295 Ca 0.10 1.03 -0.29 0.00 -0.03 0.00 0.00 54.58 55.39 3jry n ASN 295 Cb 0.52 -1.53 0.18 0.00 -0.61 0.00 0.00 39.78 38.33 3jry n ASN 295 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jry s ASP 296 N 1.97 2.62 0.10 6.41 2.15 -0.91 -4.98 116.67 124.04 3jry s ASP 296 Ca 0.79 1.36 -0.30 0.00 0.43 0.00 0.00 52.55 54.83 3jry s ASP 296 Cb -0.53 -2.04 -0.06 0.00 -0.30 0.00 0.00 42.92 39.99 3jry s ASP 296 CO 0.36 -3.16 1.20 -1.61 -0.17 0.00 0.00 175.17 171.79 3jry s GLU 297 N -4.87 4.46 0.28 4.34 8.01 -1.26 -4.77 118.70 124.89 3jry s GLU 297 Ca 0.65 1.80 -0.29 0.00 0.01 0.00 0.00 54.97 57.14 3jry s GLU 297 Cb -0.19 -3.31 -0.10 0.00 -4.31 0.00 0.00 34.13 26.22 3jry s GLU 297 CO 0.58 -0.19 1.31 1.41 0.01 0.00 0.00 175.26 178.38 3jry s MET 298 N 0.63 4.38 0.40 1.61 -2.45 -1.26 -4.66 119.30 117.95 3jry s MET 298 Ca 0.57 2.15 -0.25 0.00 -1.25 0.00 0.00 55.69 56.90 3jry s MET 298 Cb -0.30 -3.12 -0.11 0.00 1.25 0.00 0.00 34.83 32.54 3jry s MET 298 CO 0.31 -0.20 1.01 -2.30 1.05 0.00 0.00 175.02 174.90 3jry n PRO 299 N 1.52 1.37 0.00 4.11 -0.02 -1.26 -4.93 135.00 135.79 3jry n PRO 299 Ca 0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3jry n PRO 299 Cb 0.42 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3jry n PRO 299 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jry n ALA 300 N -0.36 -0.28 -3.44 3.55 0.00 -1.26 -4.24 120.51 114.47 3jry n ALA 300 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 3jry n ALA 300 Cb 0.38 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 3jry n ALA 300 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3jry n ASP 301 N -2.23 4.35 -4.71 0.00 8.00 -1.26 -5.05 116.55 115.65 3jry n ASP 301 Ca 0.00 -3.34 -0.42 0.00 0.71 0.00 0.00 54.79 51.74 3jry n ASP 301 Cb 0.00 -0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 40.17 3jry n ASP 301 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jry s LEU 302 N -2.17 4.38 0.96 0.64 1.43 -1.26 -5.03 118.68 117.63 3jry s LEU 302 Ca 0.33 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 3jry s LEU 302 Cb 0.05 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.86 3jry s LEU 302 CO -0.03 -0.38 1.09 -2.84 0.23 0.00 0.00 176.35 174.42 3jry s PRO 303 N 0.94 0.72 0.53 1.29 0.02 -1.26 -4.99 135.00 132.26 3jry s PRO 303 Ca 0.56 0.91 -0.20 0.00 0.02 0.00 0.00 61.00 62.28 3jry s PRO 303 Cb -0.26 -1.74 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 3jry s PRO 303 CO 0.29 -2.63 1.16 0.45 -0.33 0.00 0.00 177.00 175.94 3jry s SER 304 N -3.13 5.73 0.00 2.53 0.15 -1.26 -4.92 113.70 112.79 3jry s SER 304 Ca 0.65 2.27 0.22 0.00 0.70 0.00 0.00 55.95 59.80 3jry s SER 304 Cb -0.20 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.51 3jry s SER 304 CO 0.59 -1.22 1.68 0.18 1.20 0.00 0.00 173.24 175.67 3jry n LEU 305 N -1.13 1.07 -0.09 3.45 4.77 -1.26 -4.20 117.00 119.61 3jry n LEU 305 Ca 0.11 -0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 55.55 3jry n LEU 305 Cb 0.50 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3jry n LEU 305 CO 0.44 0.21 0.72 0.00 -1.33 0.00 0.00 177.39 177.43 3jry h ALA 306 N 3.98 0.35 -0.99 -1.18 0.00 -1.97 -2.89 119.26 116.56 3jry h ALA 306 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3jry h ALA 306 Cb 0.32 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3jry h ALA 306 CO 0.00 0.14 0.65 0.00 0.00 0.00 0.00 179.25 180.04 3jry h ALA 307 N 0.77 1.36 0.15 0.00 0.00 -1.97 0.65 119.26 120.21 3jry h ALA 307 Ca 0.07 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 3jry h ALA 307 Cb 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3jry h ALA 307 CO 0.02 0.55 -1.56 -0.44 0.00 0.00 0.00 179.25 177.82 3jry h ASP 308 N 1.25 0.48 0.00 0.00 5.19 -1.86 -1.96 116.42 119.52 3jry h ASP 308 Ca 0.39 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3jry h ASP 308 Cb 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.36 3jry h ASP 308 CO -0.12 1.54 -1.07 0.49 -3.12 0.00 0.00 179.24 176.96 3jry n PHE 309 N -3.51 0.00 0.00 4.55 3.72 -1.09 -4.69 117.46 116.44 3jry n PHE 309 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3jry n PHE 309 Cb 1.06 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 3jry n PHE 309 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3jry n VAL 310 N -1.60 0.00 0.03 -4.37 3.14 -0.44 -4.95 118.33 110.14 3jry n VAL 310 Ca 0.01 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.18 3jry n VAL 310 Cb 0.30 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.93 3jry n VAL 310 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3jry h GLU 311 N 0.00 0.30 -6.89 1.45 5.08 -1.06 -3.44 114.58 110.02 3jry h GLU 311 Ca 0.00 -0.52 -0.49 0.00 -1.00 0.00 0.00 59.36 57.35 3jry h GLU 311 Cb 0.00 0.19 0.22 0.00 0.50 0.00 0.00 28.75 29.66 3jry h GLU 311 CO 0.00 1.22 -0.50 0.45 -1.00 0.00 0.00 179.01 179.18 3jry n SER 312 N -3.50 -1.72 -0.33 1.42 2.88 -0.74 -4.96 113.62 106.68 3jry n SER 312 Ca -0.27 0.11 0.07 0.00 -1.33 0.00 0.00 58.87 57.45 3jry n SER 312 Cb 1.06 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 3jry n SER 312 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3jry n LYS 313 N -2.84 1.78 0.00 -1.46 2.85 -1.26 -4.36 118.16 112.88 3jry n LYS 313 Ca 0.05 -0.76 0.12 0.00 -1.05 0.00 0.00 58.31 56.67 3jry n LYS 313 Cb 0.56 -1.21 0.27 0.00 -0.65 0.00 0.00 35.03 34.00 3jry n LYS 313 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3jry n ASP 314 N -0.12 1.49 -0.36 -5.58 9.92 -1.26 -4.64 116.55 116.00 3jry n ASP 314 Ca 0.06 -1.21 -0.02 0.00 -0.53 0.00 0.00 54.79 53.09 3jry n ASP 314 Cb 0.29 0.21 0.03 0.00 -0.64 0.00 0.00 41.12 41.01 3jry n ASP 314 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3jry h VAL 315 N 1.90 0.02 -0.97 2.53 2.07 -1.86 -0.35 116.25 119.60 3jry h VAL 315 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jry h VAL 315 Cb 0.61 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3jry h VAL 315 CO 0.00 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.21 3jry h LYS 317 N 1.32 0.42 -0.60 0.00 3.64 -1.45 -1.60 116.57 118.31 3jry h LYS 317 Ca 0.35 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3jry h LYS 317 Cb -0.12 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3jry h LYS 317 CO -0.07 0.89 0.31 -0.91 -2.27 0.00 0.00 179.45 177.40 3jry h ASN 318 N 0.01 0.74 0.25 4.20 -0.26 -1.11 -1.70 115.58 117.72 3jry h ASN 318 Ca -0.00 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 3jry h ASN 318 Cb 0.89 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 3jry h ASN 318 CO 0.06 0.61 -0.12 0.22 -1.06 0.00 0.00 177.43 177.15 3jry h TYR 319 N 0.84 -0.31 0.00 1.19 3.20 -1.37 -3.27 116.97 117.25 3jry h TYR 319 Ca 0.21 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3jry h TYR 319 Cb 0.05 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 3jry h TYR 319 CO 0.01 0.02 -0.17 0.00 -1.64 0.00 0.00 178.16 176.38 3jry h ALA 320 N -0.02 1.54 -0.79 1.82 0.00 -1.07 -1.34 119.26 119.40 3jry h ALA 320 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3jry h ALA 320 Cb 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3jry h ALA 320 CO 0.06 0.21 0.52 0.93 0.00 0.00 0.00 179.25 180.96 3jry h GLU 321 N 0.00 0.85 -0.64 0.00 5.08 -1.36 -3.40 114.58 115.11 3jry h GLU 321 Ca -0.00 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3jry h GLU 321 Cb 0.33 -0.19 -0.18 0.00 0.50 0.00 0.00 28.75 29.21 3jry h GLU 321 CO 0.02 0.56 -0.29 0.00 -1.00 0.00 0.00 179.01 178.30 3jry s ALA 322 N -5.77 -3.33 0.19 3.43 0.00 -0.65 -5.07 121.76 110.57 3jry s ALA 322 Ca -0.10 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 3jry s ALA 322 Cb 0.19 -2.86 0.15 0.00 0.00 0.00 0.00 23.12 20.60 3jry s ALA 322 CO 0.78 -2.32 1.84 0.87 0.00 0.00 0.00 175.76 176.93 3jry h LYS 323 N 6.36 0.76 0.00 0.00 1.57 -1.51 -2.05 116.57 121.70 3jry h LYS 323 Ca 0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3jry h LYS 323 Cb 1.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3jry h LYS 323 CO 0.02 0.50 -0.47 -0.44 -0.57 0.00 0.00 179.45 178.50 3jry h ASP 324 N 0.78 0.00 -0.33 0.86 3.32 -1.98 -0.47 116.42 118.61 3jry h ASP 324 Ca 0.25 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.14 3jry h ASP 324 Cb -0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3jry h ASP 324 CO -0.09 0.47 -0.41 0.58 -1.72 0.00 0.00 179.24 178.07 3jry h VAL 325 N 0.00 1.28 -0.31 -1.35 2.07 -1.83 -0.94 116.25 115.17 3jry h VAL 325 Ca -0.00 -1.59 -0.16 0.00 0.82 0.00 0.00 66.70 65.77 3jry h VAL 325 Cb 1.10 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3jry h VAL 325 CO 0.06 0.52 -0.42 0.15 0.02 0.00 0.00 177.57 177.90 3jry h PHE 326 N 0.64 1.02 0.00 1.57 3.57 -1.11 -1.36 116.94 121.28 3jry h PHE 326 Ca 0.04 -0.33 -0.12 0.00 3.53 0.00 0.00 57.97 61.09 3jry h PHE 326 Cb 1.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3jry h PHE 326 CO 0.07 1.14 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.66 3jry h LEU 327 N 0.61 0.00 -0.22 0.59 3.38 -1.14 -2.22 115.31 116.30 3jry h LEU 327 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3jry h LEU 327 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3jry h LEU 327 CO 0.10 0.56 -0.03 1.23 0.09 0.00 0.00 178.44 180.38 3jry h GLY 328 N 1.75 0.44 0.82 0.83 0.00 -1.02 -1.59 103.07 104.31 3jry h GLY 328 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.01 3jry h GLY 328 CO 0.07 0.32 0.35 -0.33 0.00 0.00 0.00 176.54 176.96 3jry h MET 329 N 0.15 0.66 -0.65 4.80 2.86 -1.22 -0.88 114.93 120.66 3jry h MET 329 Ca 0.06 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3jry h MET 329 Cb 0.47 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3jry h MET 329 CO 0.02 0.44 0.41 0.35 1.06 0.00 0.00 176.91 179.18 3jry h PHE 330 N 0.68 0.76 -0.31 -0.22 3.57 -1.29 -1.29 116.94 118.85 3jry h PHE 330 Ca 0.25 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 3jry h PHE 330 Cb 0.07 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3jry h PHE 330 CO -0.07 0.44 -0.33 1.25 -2.23 0.00 0.00 178.31 177.37 3jry h LEU 331 N 0.80 0.70 -0.63 0.59 5.85 -0.98 -2.12 115.31 119.52 3jry h LEU 331 Ca 0.26 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3jry h LEU 331 Cb 0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3jry h LEU 331 CO -0.10 0.97 0.30 0.22 -0.34 0.00 0.00 178.44 179.50 3jry h TYR 332 N 0.57 0.90 -0.23 1.25 3.20 -0.88 -1.08 116.97 120.69 3jry h TYR 332 Ca 0.06 -0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 3jry h TYR 332 Cb 0.84 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3jry h TYR 332 CO 0.04 0.68 -0.51 0.93 -1.64 0.00 0.00 178.16 177.66 3jry h GLU 333 N 0.86 0.76 -0.16 1.82 4.39 -1.11 -2.61 114.58 118.53 3jry h GLU 333 Ca 0.22 -0.51 -0.08 0.00 0.34 0.00 0.00 59.36 59.33 3jry h GLU 333 Cb 0.12 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3jry h GLU 333 CO -0.03 1.13 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.82 3jry h TYR 334 N 0.50 0.52 -0.77 4.33 3.20 -1.36 -3.25 116.97 120.15 3jry h TYR 334 Ca 0.00 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 3jry h TYR 334 Cb 1.12 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 3jry h TYR 334 CO 0.08 0.84 0.28 0.00 -1.64 0.00 0.00 178.16 177.72 3jry h ALA 335 N 0.59 1.00 0.00 1.82 0.00 -1.26 -2.64 119.26 118.78 3jry h ALA 335 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3jry h ALA 335 Cb 0.78 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3jry h ALA 335 CO 0.05 0.65 0.00 0.07 0.00 0.00 0.00 179.25 180.02 3jry h ARG 336 N 1.12 0.00 -0.01 0.00 0.11 -1.53 -1.46 114.38 112.61 3jry h ARG 336 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 3jry h ARG 336 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 3jry h ARG 336 CO -0.02 0.00 -0.29 0.54 0.10 0.00 0.00 179.97 180.30 3jry n ARG 337 N -3.01 0.96 -3.29 0.08 1.74 -1.07 -4.65 116.66 107.42 3jry n ARG 337 Ca 0.01 -0.63 -0.25 0.00 -0.77 0.00 0.00 57.85 56.21 3jry n ARG 337 Cb 0.33 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 3jry n ARG 337 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3jry n HIS 338 N -0.47 0.86 0.39 -1.55 8.25 -0.55 -4.86 115.22 117.29 3jry n HIS 338 Ca 0.12 -3.74 0.11 0.00 -0.26 0.00 0.00 57.72 53.95 3jry n HIS 338 Cb 0.38 -0.38 0.48 0.00 1.12 0.00 0.00 29.99 31.58 3jry n HIS 338 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3jry n PRO 339 N 1.35 0.17 0.00 -0.41 -0.02 -1.26 -2.60 135.00 132.24 3jry n PRO 339 Ca 0.24 0.42 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 3jry n PRO 339 Cb 0.49 -1.84 0.64 0.00 -0.02 0.00 0.00 33.50 32.77 3jry n PRO 339 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3jry n ASP 340 N -2.17 0.72 -4.91 2.55 5.75 -1.26 -4.84 116.55 112.39 3jry n ASP 340 Ca 0.02 -0.97 -0.32 0.00 -0.01 0.00 0.00 54.79 53.51 3jry n ASP 340 Cb 0.21 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 3jry n ASP 340 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3jry s TYR 341 N -2.23 3.53 0.59 2.11 2.02 -1.07 -4.54 117.35 117.76 3jry s TYR 341 Ca 0.36 0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 57.19 3jry s TYR 341 Cb 0.21 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3jry s TYR 341 CO 0.41 0.61 1.14 -1.54 -1.57 0.00 0.00 175.55 174.60 3jry s SER 342 N -2.27 5.44 0.30 2.29 1.04 -1.26 -4.45 113.70 114.79 3jry s SER 342 Ca 0.32 2.16 -0.00 0.00 0.48 0.00 0.00 55.95 58.91 3jry s SER 342 Cb -0.13 -2.58 0.46 0.00 0.10 0.00 0.00 66.02 63.87 3jry s SER 342 CO 0.24 -1.41 1.87 1.62 0.98 0.00 0.00 173.24 176.54 3jry h VAL 343 N 0.79 1.21 -0.48 5.02 3.04 -1.93 -2.51 116.25 121.39 3jry h VAL 343 Ca -0.49 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 3jry h VAL 343 Cb 1.26 0.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.10 3jry h VAL 343 CO 0.56 0.27 0.32 -0.37 -1.01 0.00 0.00 177.57 177.33 3jry h VAL 344 N 0.80 1.13 -0.43 1.51 -1.51 -1.94 -2.05 116.25 113.77 3jry h VAL 344 Ca 0.19 -0.24 -0.12 0.00 -1.23 0.00 0.00 66.70 65.30 3jry h VAL 344 Cb 0.21 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 29.77 3jry h VAL 344 CO -0.01 0.12 -0.18 0.25 -1.23 0.00 0.00 177.57 176.52 3jry h LEU 345 N 0.66 0.90 -0.73 4.19 5.85 -1.82 -1.80 115.31 122.56 3jry h LEU 345 Ca 0.18 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3jry h LEU 345 Cb -0.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3jry h LEU 345 CO -0.04 1.10 0.39 -0.07 -0.34 0.00 0.00 178.44 179.48 3jry h LEU 346 N 0.71 0.92 -1.09 2.25 3.38 -1.07 -1.62 115.31 118.78 3jry h LEU 346 Ca 0.10 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3jry h LEU 346 Cb 0.74 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3jry h LEU 346 CO 0.06 0.76 -0.08 -0.07 0.09 0.00 0.00 178.44 179.20 3jry h LEU 347 N 1.00 0.53 -1.10 1.67 3.38 -1.31 -1.66 115.31 117.83 3jry h LEU 347 Ca 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3jry h LEU 347 Cb 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3jry h LEU 347 CO -0.04 0.66 -0.04 0.03 0.09 0.00 0.00 178.44 179.14 3jry h ARG 348 N 0.52 0.59 -0.06 1.13 3.08 -0.86 -1.75 114.38 117.04 3jry h ARG 348 Ca 0.10 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3jry h ARG 348 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3jry h ARG 348 CO 0.02 0.64 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.39 3jry h LEU 349 N 0.56 0.20 -1.24 3.04 3.38 -0.80 -2.14 115.31 118.32 3jry h LEU 349 Ca 0.11 -0.56 0.09 0.00 0.09 0.00 0.00 57.88 57.61 3jry h LEU 349 Cb 0.41 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3jry h LEU 349 CO 0.02 0.72 0.56 0.00 0.09 0.00 0.00 178.44 179.83 3jry h ALA 350 N 0.48 1.66 -0.03 1.53 0.00 -1.29 -1.06 119.26 120.56 3jry h ALA 350 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3jry h ALA 350 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3jry h ALA 350 CO 0.03 0.17 -0.68 0.87 0.00 0.00 0.00 179.25 179.63 3jry h LYS 351 N 0.85 0.14 -0.35 0.00 1.57 -1.27 -1.39 116.57 116.12 3jry h LYS 351 Ca 0.40 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 3jry h LYS 351 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3jry h LYS 351 CO -0.16 0.76 -0.25 1.15 -0.57 0.00 0.00 179.45 180.37 3jry h THR 352 N 0.10 1.27 0.01 -0.16 2.02 -0.64 -2.12 112.91 113.39 3jry h THR 352 Ca -0.01 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 3jry h THR 352 Cb 1.21 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3jry h THR 352 CO 0.10 0.45 -0.01 0.22 0.37 0.00 0.00 175.52 176.65 3jry h TYR 353 N 0.62 -0.02 -0.37 3.16 3.20 -1.00 -2.36 116.97 120.21 3jry h TYR 353 Ca 0.08 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.03 3jry h TYR 353 Cb 0.75 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.95 3jry h TYR 353 CO 0.04 0.33 -0.17 1.49 -1.64 0.00 0.00 178.16 178.20 3jry h GLU 354 N -0.37 -0.11 -0.92 1.82 4.81 -1.26 -1.60 114.58 116.96 3jry h GLU 354 Ca -0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 3jry h GLU 354 Cb 0.36 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 3jry h GLU 354 CO 0.00 -0.07 0.54 1.15 -0.73 0.00 0.00 179.01 179.90 3jry h THR 355 N -0.11 0.84 -0.16 0.32 2.02 -1.27 -1.47 112.91 113.08 3jry h THR 355 Ca 0.18 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 3jry h THR 355 Cb 0.39 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3jry h THR 355 CO -0.44 0.15 -0.56 0.74 0.37 0.00 0.00 175.52 175.78 3jry h THR 356 N 0.82 1.33 -0.15 3.16 2.02 -0.85 -2.57 112.91 116.68 3jry h THR 356 Ca 0.47 -1.83 -0.19 0.00 0.77 0.00 0.00 66.41 65.63 3jry h THR 356 Cb 0.55 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3jry h THR 356 CO -0.30 0.56 -0.69 -0.07 0.37 0.00 0.00 175.52 175.40 3jry h LEU 357 N 0.37 0.71 -0.42 2.58 3.38 -0.72 -0.33 115.31 120.88 3jry h LEU 357 Ca 0.00 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.55 3jry h LEU 357 Cb 1.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3jry h LEU 357 CO 0.10 1.20 0.25 -0.33 0.09 0.00 0.00 178.44 179.75 3jry h GLU 358 N 0.44 0.49 -0.12 1.13 4.39 -1.24 -1.13 114.58 118.53 3jry h GLU 358 Ca -0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3jry h GLU 358 Cb 1.28 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3jry h GLU 358 CO 0.13 0.32 -0.15 -0.22 -1.16 0.00 0.00 179.01 177.93 3jry h LYS 359 N 0.50 0.32 0.02 2.33 3.64 -1.48 -3.36 116.57 118.54 3jry h LYS 359 Ca 0.17 -0.18 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 3jry h LYS 359 Cb 0.01 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3jry h LYS 359 CO -0.08 0.74 -1.04 0.00 -2.27 0.00 0.00 179.45 176.81 3jry n ALA 362 N -1.29 3.94 -1.79 0.00 0.00 -1.21 -4.97 120.51 115.20 3jry n ALA 362 Ca 0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 3jry n ALA 362 Cb 0.11 -0.65 0.14 0.00 0.00 0.00 0.00 19.45 19.05 3jry n ALA 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jry s ALA 363 N -2.84 2.21 0.18 0.00 0.00 -0.43 -5.00 121.76 115.88 3jry s ALA 363 Ca 0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 3jry s ALA 363 Cb 0.13 -2.90 0.07 0.00 0.00 0.00 0.00 23.12 20.42 3jry s ALA 363 CO 0.75 -2.18 1.48 0.00 0.00 0.00 0.00 175.76 175.80 3jry h ALA 364 N -1.45 0.64 -2.79 0.00 0.00 -1.94 -3.37 119.26 110.35 3jry h ALA 364 Ca -0.46 -0.52 -0.60 0.00 0.00 0.00 0.00 54.91 53.33 3jry h ALA 364 Cb 1.29 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.61 3jry h ALA 364 CO 0.53 0.69 -0.79 0.34 0.00 0.00 0.00 179.25 180.02 3jry s ASP 365 N -6.93 3.18 0.21 0.00 3.68 -1.26 -5.01 116.67 110.55 3jry s ASP 365 Ca -0.08 -2.86 -0.09 0.00 2.13 0.00 0.00 52.55 51.65 3jry s ASP 365 Cb 0.11 -0.89 0.21 0.00 -1.45 0.00 0.00 42.92 40.90 3jry s ASP 365 CO 0.85 -0.22 1.86 -0.65 0.13 0.00 0.00 175.17 177.14 3jry h PRO 366 N 6.30 0.90 -0.40 4.34 0.11 -1.74 -2.10 132.00 139.42 3jry h PRO 366 Ca 0.09 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.23 3jry h PRO 366 Cb 0.90 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 31.73 3jry h PRO 366 CO 0.46 0.60 -0.12 1.25 -0.21 0.00 0.00 178.00 179.97 3jry h HIS 367 N 0.93 -0.28 -0.85 0.65 2.76 -1.94 0.21 115.15 116.63 3jry h HIS 367 Ca 0.30 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 3jry h HIS 367 Cb 0.00 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 3jry h HIS 367 CO -0.03 -0.20 0.42 1.49 -1.30 0.00 0.00 177.93 178.31 3jry h GLU 368 N -0.03 1.21 -0.29 5.26 4.57 -1.92 -1.89 114.58 121.49 3jry h GLU 368 Ca 0.19 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3jry h GLU 368 Cb 0.33 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3jry h GLU 368 CO -0.43 0.92 -0.02 0.00 -1.18 0.00 0.00 179.01 178.29 3jry n TYR 370 N -4.56 0.46 0.28 0.00 0.18 0.48 -4.53 117.16 109.48 3jry n TYR 370 Ca -0.03 -0.23 0.17 0.00 1.88 0.00 0.00 57.90 59.69 3jry n TYR 370 Cb 0.28 0.00 0.84 0.00 -0.38 0.00 0.00 39.34 40.07 3jry n TYR 370 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3jry h ALA 371 N 4.23 1.48 0.00 -3.48 0.00 -1.32 -2.79 119.26 117.37 3jry h ALA 371 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3jry h ALA 371 Cb 0.75 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3jry h ALA 371 CO 0.00 -0.36 -0.53 0.36 0.00 0.00 0.00 179.25 178.72 3jry n LYS 372 N -3.12 1.31 -0.07 0.00 2.85 -1.26 -4.82 118.16 113.05 3jry n LYS 372 Ca -0.00 -3.02 -0.07 0.00 -1.05 0.00 0.00 58.31 54.17 3jry n LYS 372 Cb 0.39 -1.36 -0.01 0.00 -0.65 0.00 0.00 35.03 33.41 3jry n LYS 372 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3jry h VAL 373 N 1.84 0.83 -0.02 0.58 2.07 -1.83 -2.50 116.25 117.22 3jry h VAL 373 Ca -0.03 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3jry h VAL 373 Cb 1.13 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3jry h VAL 373 CO 0.01 0.02 0.04 -0.26 0.02 0.00 0.00 177.57 177.41 3jry h PHE 374 N 0.11 0.00 0.00 1.57 -1.00 -1.87 0.25 116.94 116.00 3jry h PHE 374 Ca 0.13 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 3jry h PHE 374 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 3jry h PHE 374 CO -0.19 0.00 -0.26 -0.44 -1.61 0.00 0.00 178.31 175.81 3jry h ASP 375 N 0.00 0.00 0.87 2.17 5.19 -1.83 -2.66 116.42 120.16 3jry h ASP 375 Ca 0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3jry h ASP 375 Cb 0.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 3jry h ASP 375 CO -0.00 0.26 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.94 3jry h GLU 376 N 0.00 0.00 -0.03 3.56 5.08 -0.60 -3.17 114.58 119.42 3jry h GLU 376 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3jry h GLU 376 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3jry h GLU 376 CO 0.03 0.11 -0.61 0.74 -1.00 0.00 0.00 179.01 178.29 3jry h PHE 377 N 0.00 0.14 -0.20 4.33 0.04 -1.56 -3.36 116.94 116.33 3jry h PHE 377 Ca -0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3jry h PHE 377 Cb 0.57 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3jry h PHE 377 CO 0.00 0.68 0.12 0.87 -0.60 0.00 0.00 178.31 179.39 3jry h LYS 378 N 0.08 0.25 -0.67 1.51 1.57 -1.68 0.37 116.57 117.99 3jry h LYS 378 Ca -0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3jry h LYS 378 Cb 1.09 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 3jry h LYS 378 CO 0.09 0.16 0.44 -1.35 -0.57 0.00 0.00 179.45 178.22 3jry h PRO 379 N 0.25 0.70 -0.05 3.15 0.11 -1.79 -1.74 132.00 132.63 3jry h PRO 379 Ca 0.08 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.97 3jry h PRO 379 Cb -0.02 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3jry h PRO 379 CO -0.03 0.47 -0.70 -0.07 -0.21 0.00 0.00 178.00 177.46 3jry h LEU 380 N 0.73 0.32 -0.35 2.35 3.38 -1.25 -2.64 115.31 117.85 3jry h LEU 380 Ca 0.28 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 3jry h LEU 380 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3jry h LEU 380 CO -0.08 0.92 -0.49 0.58 0.09 0.00 0.00 178.44 179.46 3jry h VAL 381 N 0.18 1.27 -0.04 1.22 2.07 -0.84 -3.35 116.25 116.77 3jry h VAL 381 Ca -0.02 -1.67 -0.18 0.00 0.82 0.00 0.00 66.70 65.65 3jry h VAL 381 Cb 1.26 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3jry h VAL 381 CO 0.11 0.55 -0.76 -0.33 0.02 0.00 0.00 177.57 177.16 3jry h GLU 382 N 0.69 0.27 0.01 1.57 5.08 -1.20 -3.24 114.58 117.76 3jry h GLU 382 Ca 0.03 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3jry h GLU 382 Cb 1.09 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3jry h GLU 382 CO 0.11 0.91 -0.11 1.49 -1.00 0.00 0.00 179.01 180.42 3jry h GLU 383 N 0.18 -0.18 -0.43 2.33 4.22 -1.61 -1.39 114.58 117.70 3jry h GLU 383 Ca -0.03 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.35 3jry h GLU 383 Cb 1.34 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 3jry h GLU 383 CO 0.12 -0.12 -0.04 -1.35 -2.18 0.00 0.00 179.01 175.44 3jry h PRO 384 N -0.19 0.72 -0.17 0.92 0.11 -1.74 -2.43 132.00 129.21 3jry h PRO 384 Ca 0.04 -0.20 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3jry h PRO 384 Cb 0.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3jry h PRO 384 CO -0.10 0.76 0.09 1.96 -0.21 0.00 0.00 178.00 180.50 3jry h GLN 385 N 0.67 0.24 -0.45 1.05 4.20 -1.49 -2.33 115.11 117.01 3jry h GLN 385 Ca 0.13 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3jry h GLN 385 Cb 0.47 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3jry h GLN 385 CO 0.02 0.24 0.15 -0.91 -0.67 0.00 0.00 178.83 177.67 3jry h ASN 386 N 0.18 0.64 -0.35 1.46 -0.26 -1.24 -2.16 115.58 113.84 3jry h ASN 386 Ca 0.06 -0.19 0.07 0.00 -0.56 0.00 0.00 56.30 55.68 3jry h ASN 386 Cb 0.07 -0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 37.10 3jry h ASN 386 CO -0.01 0.66 -0.06 0.25 -1.06 0.00 0.00 177.43 177.21 3jry h LEU 387 N 0.58 -0.27 -0.80 1.61 5.85 -1.34 -1.51 115.31 119.42 3jry h LEU 387 Ca 0.15 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 3jry h LEU 387 Cb 0.24 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3jry h LEU 387 CO -0.01 -0.09 -0.36 0.40 -0.34 0.00 0.00 178.44 178.04 3jry h ILE 388 N 0.03 1.29 -0.38 4.05 2.04 -1.32 -1.21 117.51 122.01 3jry h ILE 388 Ca 0.17 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 3jry h ILE 388 Cb 0.26 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3jry h ILE 388 CO -0.34 0.46 0.12 0.50 0.00 0.00 0.00 178.15 178.89 3jry h LYS 389 N 0.40 0.58 -0.06 2.37 3.64 -0.95 -1.83 116.57 120.72 3jry h LYS 389 Ca 0.04 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3jry h LYS 389 Cb 0.82 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3jry h LYS 389 CO 0.07 0.59 -0.14 0.37 -2.27 0.00 0.00 179.45 178.07 3jry h GLN 390 N 0.46 0.21 -0.39 1.90 4.15 -1.11 -2.68 115.11 117.66 3jry h GLN 390 Ca 0.12 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 3jry h GLN 390 Cb 0.25 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 3jry h GLN 390 CO -0.00 0.73 0.12 -0.91 -1.93 0.00 0.00 178.83 176.84 3jry h ASN 391 N -0.29 0.50 -0.08 -0.69 2.35 -1.24 -1.68 115.58 114.46 3jry h ASN 391 Ca 0.00 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 3jry h ASN 391 Cb 0.73 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3jry h ASN 391 CO 0.03 0.48 -0.44 0.00 -1.65 0.00 0.00 177.43 175.85 3jry h GLU 393 N 0.51 -0.62 -0.50 0.00 5.08 -1.05 -0.10 114.58 117.89 3jry h GLU 393 Ca 0.03 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3jry h GLU 393 Cb 0.97 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 3jry h GLU 393 CO 0.09 -0.42 0.12 1.25 -1.00 0.00 0.00 179.01 179.05 3jry h LEU 394 N -0.65 0.04 -0.54 1.33 5.85 -1.30 -2.43 115.31 117.62 3jry h LEU 394 Ca -0.02 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3jry h LEU 394 Cb 0.58 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3jry h LEU 394 CO -0.04 0.05 0.25 0.15 -0.34 0.00 0.00 178.44 178.51 3jry h PHE 395 N 0.26 0.45 0.00 1.25 3.57 -0.57 -1.04 116.94 120.85 3jry h PHE 395 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3jry h PHE 395 Cb 0.33 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3jry h PHE 395 CO -0.21 0.19 -0.13 0.93 -2.23 0.00 0.00 178.31 176.86 3jry h GLU 396 N 0.47 0.00 0.00 1.11 5.08 -0.55 0.56 114.58 121.24 3jry h GLU 396 Ca 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3jry h GLU 396 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3jry h GLU 396 CO -0.20 0.13 -1.59 0.00 -1.00 0.00 0.00 179.01 176.35 3jry n GLN 397 N -3.54 0.64 -0.03 2.33 10.64 -0.91 -4.46 117.38 122.04 3jry n GLN 397 Ca -0.01 -0.04 -0.15 0.00 -1.83 0.00 0.00 57.00 54.97 3jry n GLN 397 Cb 0.27 -1.66 -0.14 0.00 -0.86 0.00 0.00 30.24 27.85 3jry n GLN 397 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3jry n LEU 398 N -2.48 1.70 -0.25 2.61 4.32 -0.44 -5.11 117.00 117.34 3jry n LEU 398 Ca -0.04 0.22 0.03 0.00 -0.02 0.00 0.00 56.01 56.20 3jry n LEU 398 Cb 0.60 -0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 41.97 3jry n LEU 398 CO 0.43 0.65 -0.10 0.61 -1.22 0.00 0.00 177.39 177.76 3jry n GLY 399 N 1.83 -2.57 0.27 -0.72 0.00 0.16 -4.34 105.19 99.82 3jry n GLY 399 Ca -0.28 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 3jry n GLY 399 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jry h GLU 400 N -0.25 -0.48 -0.32 1.61 4.81 -1.95 -1.87 114.58 116.13 3jry h GLU 400 Ca -0.03 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3jry h GLU 400 Cb 0.24 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3jry h GLU 400 CO 0.01 -0.32 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.02 3jry h TYR 401 N -0.50 -0.07 0.00 0.92 3.20 -1.97 -1.21 116.97 117.34 3jry h TYR 401 Ca -0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3jry h TYR 401 Cb 0.46 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3jry h TYR 401 CO -0.16 -0.09 -0.47 0.87 -1.64 0.00 0.00 178.16 176.67 3jry h LYS 402 N 0.06 0.00 -0.20 1.82 1.57 -1.73 -2.41 116.57 115.68 3jry h LYS 402 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3jry h LYS 402 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3jry h LYS 402 CO -0.28 0.47 0.09 0.35 -0.57 0.00 0.00 179.45 179.51 3jry h PHE 403 N 0.00 0.29 -0.98 -1.35 3.57 -0.87 -1.68 116.94 115.93 3jry h PHE 403 Ca -0.00 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.62 3jry h PHE 403 Cb 0.99 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 3jry h PHE 403 CO 0.00 0.32 0.60 1.96 -2.23 0.00 0.00 178.31 178.96 3jry h GLN 404 N 0.19 0.87 -0.48 1.11 4.20 -1.09 -1.14 115.11 118.78 3jry h GLN 404 Ca 0.07 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 3jry h GLN 404 Cb 0.14 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3jry h GLN 404 CO -0.01 0.58 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.80 3jry h ASN 405 N 0.90 0.85 -0.89 1.46 2.35 -1.09 -1.06 115.58 118.10 3jry h ASN 405 Ca 0.51 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3jry h ASN 405 Cb 0.60 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3jry h ASN 405 CO -0.30 0.96 0.58 0.00 -1.65 0.00 0.00 177.43 177.02 3jry h ALA 406 N 0.92 1.15 -0.35 -0.83 0.00 -0.36 -1.70 119.26 118.09 3jry h ALA 406 Ca 0.13 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3jry h ALA 406 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 406 CO 0.03 0.46 -0.40 -0.07 0.00 0.00 0.00 179.25 179.27 3jry h LEU 407 N 1.15 0.91 -0.60 0.00 3.38 -1.10 -2.47 115.31 116.58 3jry h LEU 407 Ca 0.34 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3jry h LEU 407 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3jry h LEU 407 CO -0.10 1.20 0.35 0.25 0.09 0.00 0.00 178.44 180.23 3jry h LEU 408 N 0.69 0.55 -0.39 1.67 5.85 -0.92 -0.37 115.31 122.40 3jry h LEU 408 Ca 0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3jry h LEU 408 Cb 0.98 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3jry h LEU 408 CO 0.09 0.38 0.16 0.58 -0.34 0.00 0.00 178.44 179.31 3jry h VAL 409 N 0.68 1.19 -0.13 1.05 2.07 -1.21 -1.96 116.25 117.94 3jry h VAL 409 Ca 0.25 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3jry h VAL 409 Cb 0.08 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3jry h VAL 409 CO -0.13 0.21 -0.11 0.03 0.02 0.00 0.00 177.57 177.60 3jry h ARG 410 N 0.48 -0.11 -0.08 1.57 3.08 -1.01 -2.36 114.38 115.95 3jry h ARG 410 Ca 0.13 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.02 3jry h ARG 410 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3jry h ARG 410 CO -0.01 -0.08 -0.68 1.88 -1.07 0.00 0.00 179.97 180.01 3jry h TYR 411 N -0.12 0.47 -0.45 3.04 0.05 -1.01 -1.44 116.97 117.52 3jry h TYR 411 Ca 0.09 -0.20 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 3jry h TYR 411 Cb 0.24 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3jry h TYR 411 CO -0.23 0.93 0.01 1.15 -1.05 0.00 0.00 178.16 178.97 3jry h THR 412 N 0.25 1.23 -0.30 -2.88 2.02 -1.32 -1.07 112.91 110.84 3jry h THR 412 Ca -0.02 -0.93 -0.15 0.00 0.77 0.00 0.00 66.41 66.08 3jry h THR 412 Cb 1.23 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3jry h THR 412 CO 0.11 0.33 -0.41 0.11 0.37 0.00 0.00 175.52 176.04 3jry h LYS 413 N 0.69 0.73 0.38 6.66 1.57 -1.21 -2.83 116.57 122.56 3jry h LYS 413 Ca 0.14 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3jry h LYS 413 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3jry h LYS 413 CO 0.01 1.00 -0.18 0.87 -0.57 0.00 0.00 179.45 180.58 3jry h LYS 414 N 0.60 -0.50 -2.17 3.15 1.57 -0.79 -2.59 116.57 115.84 3jry h LYS 414 Ca 0.05 0.03 -0.58 0.00 -1.87 0.00 0.00 60.65 58.28 3jry h LYS 414 Cb 0.95 0.11 -0.41 0.00 0.08 0.00 0.00 32.23 32.97 3jry h LYS 414 CO 0.09 -0.20 -0.82 1.33 -0.57 0.00 0.00 179.45 179.27 3jry n VAL 415 N -5.21 0.88 0.33 0.50 0.24 -0.45 -3.87 118.33 110.76 3jry n VAL 415 Ca -0.10 -4.61 0.05 0.00 -2.04 0.00 0.00 64.34 57.63 3jry n VAL 415 Cb 0.28 -2.02 0.20 0.00 -1.47 0.00 0.00 33.84 30.83 3jry n VAL 415 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3jry n PRO 416 N 1.24 0.00 0.17 7.34 -0.02 -1.07 -2.45 135.00 140.22 3jry n PRO 416 Ca 0.26 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 3jry n PRO 416 Cb 0.46 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.54 3jry n PRO 416 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3jry h GLN 417 N 0.00 0.00 -6.96 -0.52 7.50 -1.92 -3.46 115.11 109.75 3jry h GLN 417 Ca 0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 3jry h GLN 417 Cb 0.17 0.00 0.11 0.00 0.05 0.00 0.00 27.48 27.81 3jry h GLN 417 CO 0.00 0.07 0.75 0.08 -1.50 0.00 0.00 178.83 178.23 3jry s VAL 418 N -3.21 2.05 0.73 -0.54 1.01 -1.03 -4.89 120.40 114.52 3jry s VAL 418 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3jry s VAL 418 Cb 0.07 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.45 3jry s VAL 418 CO 0.71 0.01 1.23 -0.94 0.00 0.00 0.00 175.10 176.11 3jry s SER 419 N -0.27 4.16 0.06 3.32 1.04 -1.26 -4.81 113.70 115.94 3jry s SER 419 Ca 0.56 2.42 -0.22 0.00 0.48 0.00 0.00 55.95 59.19 3jry s SER 419 Cb -0.46 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 62.94 3jry s SER 419 CO 0.61 -2.29 1.56 0.74 0.98 0.00 0.00 173.24 174.83 3jry h THR 420 N -0.24 1.19 -0.64 2.02 2.02 -1.96 -0.68 112.91 114.63 3jry h THR 420 Ca -0.48 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.12 3jry h THR 420 Cb 1.30 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 3jry h THR 420 CO 0.50 0.17 0.42 -0.65 0.37 0.00 0.00 175.52 176.33 3jry h PRO 421 N -0.01 0.82 -0.74 6.66 0.11 -1.99 -0.52 132.00 136.32 3jry h PRO 421 Ca 0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3jry h PRO 421 Cb 0.24 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 3jry h PRO 421 CO 0.00 0.54 0.47 1.15 -0.21 0.00 0.00 178.00 179.95 3jry h THR 422 N 0.84 1.13 -0.42 -1.15 2.02 -1.91 -2.43 112.91 110.99 3jry h THR 422 Ca 0.24 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 3jry h THR 422 Cb -0.06 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3jry h THR 422 CO -0.07 0.17 -0.13 -0.07 0.37 0.00 0.00 175.52 175.79 3jry h LEU 423 N 0.93 0.76 -0.05 2.58 3.38 -0.17 -2.05 115.31 120.69 3jry h LEU 423 Ca 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3jry h LEU 423 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3jry h LEU 423 CO -0.10 0.91 -0.04 0.58 0.09 0.00 0.00 178.44 179.89 3jry h VAL 424 N 0.70 1.35 -0.19 1.22 2.07 -0.93 -1.80 116.25 118.67 3jry h VAL 424 Ca 0.11 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3jry h VAL 424 Cb 0.61 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3jry h VAL 424 CO 0.04 0.30 0.09 -0.08 0.02 0.00 0.00 177.57 177.94 3jry h GLU 425 N -0.29 0.18 -0.29 1.57 4.22 -1.40 -1.48 114.58 117.09 3jry h GLU 425 Ca 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3jry h GLU 425 Cb 0.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3jry h GLU 425 CO 0.01 0.12 0.08 0.28 -2.18 0.00 0.00 179.01 177.32 3jry h VAL 426 N 0.19 1.21 -0.74 0.32 2.07 -1.41 -1.60 116.25 116.29 3jry h VAL 426 Ca 0.08 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3jry h VAL 426 Cb 0.02 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3jry h VAL 426 CO -0.06 0.23 0.49 0.28 0.02 0.00 0.00 177.57 178.53 3jry h SER 427 N 0.30 0.85 -0.53 0.57 0.02 -1.26 -0.76 113.55 112.74 3jry h SER 427 Ca 0.09 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3jry h SER 427 Cb 0.27 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3jry h SER 427 CO -0.00 0.61 0.35 0.03 -1.14 0.00 0.00 176.83 176.68 3jry h ARG 428 N 1.00 0.68 -0.26 3.45 3.08 -1.15 -2.08 114.38 119.10 3jry h ARG 428 Ca 0.27 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3jry h ARG 428 Cb -0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 3jry h ARG 428 CO -0.06 0.45 -0.21 -0.91 -1.07 0.00 0.00 179.97 178.18 3jry h ASN 429 N 0.70 0.46 -0.25 7.04 2.35 -0.75 -2.67 115.58 122.46 3jry h ASN 429 Ca 0.20 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3jry h ASN 429 Cb -0.06 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3jry h ASN 429 CO -0.05 0.68 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.13 3jry h LEU 430 N 0.42 0.71 -1.35 1.61 3.38 -0.99 -3.10 115.31 115.99 3jry h LEU 430 Ca 0.07 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3jry h LEU 430 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3jry h LEU 430 CO 0.04 0.91 -0.27 1.23 0.09 0.00 0.00 178.44 180.43 3jry h GLY 431 N 0.98 0.00 1.67 0.83 0.00 -1.04 -2.42 103.07 103.09 3jry h GLY 431 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3jry h GLY 431 CO 0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.87 3jry n LYS 432 N -3.69 0.08 0.14 4.80 5.02 -1.08 -2.49 118.16 120.93 3jry n LYS 432 Ca -0.01 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.55 3jry n LYS 432 Cb 0.39 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.25 3jry n LYS 432 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3jry h VAL 433 N 0.00 1.23 0.18 -0.18 3.04 -1.59 -1.90 116.25 117.02 3jry h VAL 433 Ca 0.00 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 3jry h VAL 433 Cb 0.08 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3jry h VAL 433 CO 0.00 0.32 -0.09 1.23 -1.01 0.00 0.00 177.57 178.02 3jry h GLY 434 N 0.93 -0.26 1.21 3.17 0.00 -1.72 -0.06 103.07 106.34 3jry h GLY 434 Ca 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 3jry h GLY 434 CO 0.04 -0.09 0.22 0.23 0.00 0.00 0.00 176.54 176.94 3jry h SER 435 N -0.33 0.93 0.66 0.19 0.87 -1.71 -1.81 113.55 112.36 3jry h SER 435 Ca -0.02 -0.15 -0.21 0.00 -1.23 0.00 0.00 61.79 60.18 3jry h SER 435 Cb 0.25 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3jry h SER 435 CO 0.04 0.86 -0.93 0.11 -0.53 0.00 0.00 176.83 176.37 3jry h LYS 436 N 0.97 0.16 0.00 2.24 1.57 -1.11 -3.41 116.57 117.00 3jry h LYS 436 Ca 0.22 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3jry h LYS 436 Cb 0.25 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3jry h LYS 436 CO -0.01 0.98 -1.02 0.00 -0.57 0.00 0.00 179.45 178.83 3jry h LYS 439 N 0.00 0.00 -7.24 0.00 2.10 -1.82 -3.45 116.57 106.15 3jry h LYS 439 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 3jry h LYS 439 Cb 0.41 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.84 3jry h LYS 439 CO 0.00 0.41 0.36 -1.01 -2.00 0.00 0.00 179.45 177.21 3jry s HIS 440 N -3.93 2.73 1.04 0.07 3.76 -0.87 -5.03 115.29 113.06 3jry s HIS 440 Ca -0.02 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.31 3jry s HIS 440 Cb 0.13 -3.08 0.22 0.00 1.11 0.00 0.00 32.58 30.95 3jry s HIS 440 CO 0.71 -1.56 1.08 -2.14 -0.85 0.00 0.00 174.74 171.99 3jry s PRO 441 N -4.36 0.03 0.32 8.40 0.02 -1.26 -4.76 135.00 133.38 3jry s PRO 441 Ca 0.64 1.19 -0.00 0.00 0.02 0.00 0.00 61.00 62.85 3jry s PRO 441 Cb -0.18 -1.64 0.51 0.00 0.02 0.00 0.00 34.50 33.21 3jry s PRO 441 CO 0.45 -3.19 1.96 0.93 -0.33 0.00 0.00 177.00 176.82 3jry h GLU 442 N -2.26 0.94 -0.14 5.54 5.08 -1.96 -2.09 114.58 119.69 3jry h GLU 442 Ca -0.53 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3jry h GLU 442 Cb 1.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3jry h GLU 442 CO 0.46 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 179.13 3jry n ALA 443 N -2.43 2.33 -0.28 3.43 0.00 -1.26 -2.61 120.51 119.69 3jry n ALA 443 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3jry n ALA 443 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3jry n ALA 443 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3jry n LYS 444 N -0.40 0.97 0.08 0.00 4.81 -0.82 -4.51 118.16 118.29 3jry n LYS 444 Ca 0.00 -0.04 -0.10 0.00 -0.87 0.00 0.00 58.31 57.29 3jry n LYS 444 Cb 0.03 -0.31 -0.05 0.00 0.02 0.00 0.00 35.03 34.72 3jry n LYS 444 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3jry h ARG 445 N 0.00 0.20 0.02 1.64 3.08 -1.22 -3.33 114.38 114.76 3jry h ARG 445 Ca 0.00 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 3jry h ARG 445 Cb 0.14 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.28 3jry h ARG 445 CO 0.00 1.03 -0.26 1.98 -1.07 0.00 0.00 179.97 181.65 3jry h MET 446 N 0.10 0.15 -0.36 0.04 4.05 -1.82 -0.92 114.93 116.17 3jry h MET 446 Ca -0.06 -0.18 0.05 0.00 -0.28 0.00 0.00 59.70 59.23 3jry h MET 446 Cb 1.65 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 32.45 3jry h MET 446 CO 0.15 0.96 0.07 -1.35 0.23 0.00 0.00 176.91 176.97 3jry h PRO 447 N -0.59 0.18 0.11 0.39 0.11 -1.78 0.29 132.00 130.71 3jry h PRO 447 Ca -0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.08 3jry h PRO 447 Cb 1.07 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3jry h PRO 447 CO 0.05 0.12 -0.21 0.00 -0.21 0.00 0.00 178.00 177.75 3jry h ALA 449 N 0.41 -0.08 -0.05 0.00 0.00 -0.96 -3.06 119.26 115.52 3jry h ALA 449 Ca 0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 3jry h ALA 449 Cb 0.41 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jry h ALA 449 CO -0.12 -0.25 -0.89 1.49 0.00 0.00 0.00 179.25 179.49 3jry h GLU 450 N -0.69 0.56 -0.06 0.00 4.81 -0.50 -2.01 114.58 116.69 3jry h GLU 450 Ca -0.01 -0.53 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 3jry h GLU 450 Cb 0.58 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3jry h GLU 450 CO 0.01 1.16 -0.57 -0.44 -0.73 0.00 0.00 179.01 178.44 3jry h ASP 451 N 0.34 0.21 -0.48 1.04 3.32 -1.63 -2.37 116.42 116.85 3jry h ASP 451 Ca -0.08 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3jry h ASP 451 Cb 1.51 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 3jry h ASP 451 CO 0.16 0.73 0.16 0.22 -1.72 0.00 0.00 179.24 178.80 3jry h TYR 452 N 0.14 0.76 -0.66 4.55 3.20 -1.44 -2.55 116.97 120.97 3jry h TYR 452 Ca -0.00 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 3jry h TYR 452 Cb 1.04 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3jry h TYR 452 CO 0.02 0.66 0.37 -0.07 -1.64 0.00 0.00 178.16 177.49 3jry h LEU 453 N 0.64 0.80 -1.03 2.82 3.38 -1.29 -1.43 115.31 119.20 3jry h LEU 453 Ca 0.16 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jry h LEU 453 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3jry h LEU 453 CO -0.01 0.64 0.57 0.28 0.09 0.00 0.00 178.44 180.02 3jry h SER 454 N 0.91 1.09 -0.20 -0.43 0.02 -1.25 -1.48 113.55 112.22 3jry h SER 454 Ca 0.23 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3jry h SER 454 Cb 0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3jry h SER 454 CO -0.04 0.82 0.07 0.58 -1.14 0.00 0.00 176.83 177.12 3jry h VAL 455 N 1.26 1.18 -0.32 2.27 2.07 -0.87 -2.25 116.25 119.59 3jry h VAL 455 Ca 0.33 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3jry h VAL 455 Cb -0.08 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3jry h VAL 455 CO -0.07 0.18 -0.06 0.58 0.02 0.00 0.00 177.57 178.22 3jry h VAL 456 N 0.15 1.21 -0.10 2.57 2.07 -1.22 -2.75 116.25 118.18 3jry h VAL 456 Ca 0.06 -0.89 -0.17 0.00 0.82 0.00 0.00 66.70 66.53 3jry h VAL 456 Cb 0.21 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3jry h VAL 456 CO -0.00 0.30 -0.65 -0.07 0.02 0.00 0.00 177.57 177.16 3jry h LEU 457 N 0.48 0.45 -0.97 2.57 3.38 -1.20 -2.29 115.31 117.72 3jry h LEU 457 Ca 0.10 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3jry h LEU 457 Cb 0.40 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3jry h LEU 457 CO 0.02 0.98 0.62 -1.13 0.09 0.00 0.00 178.44 179.01 3jry h ASN 458 N 0.28 0.95 -0.37 -0.43 -1.24 -1.21 -0.17 115.58 113.39 3jry h ASN 458 Ca -0.01 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.07 3jry h ASN 458 Cb 1.20 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 40.03 3jry h ASN 458 CO 0.11 0.57 0.11 1.56 -1.29 0.00 0.00 177.43 178.50 3jry h GLN 459 N 1.07 0.25 -0.57 6.67 4.20 -1.14 0.38 115.11 125.97 3jry h GLN 459 Ca 0.44 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.18 3jry h GLN 459 Cb 0.28 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3jry h GLN 459 CO -0.21 0.17 0.32 1.25 -0.67 0.00 0.00 178.83 179.68 3jry h LEU 460 N 0.26 0.48 -0.39 1.46 5.85 -0.99 -1.45 115.31 120.52 3jry h LEU 460 Ca 0.17 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3jry h LEU 460 Cb 0.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3jry h LEU 460 CO -0.19 0.33 0.14 0.00 -0.34 0.00 0.00 178.44 178.37 3jry h VAL 462 N 0.48 1.29 -0.53 0.00 -1.51 -0.71 -0.90 116.25 114.38 3jry h VAL 462 Ca 0.13 -1.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.06 3jry h VAL 462 Cb 0.23 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.83 3jry h VAL 462 CO -0.01 0.49 0.24 -0.07 -1.23 0.00 0.00 177.57 176.99 3jry h LEU 463 N 0.54 0.70 -0.71 4.19 4.07 -1.24 -3.20 115.31 119.67 3jry h LEU 463 Ca 0.05 -0.14 -0.14 0.00 0.08 0.00 0.00 57.88 57.74 3jry h LEU 463 Cb 0.87 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 3jry h LEU 463 CO 0.08 0.64 -0.64 -0.74 -1.08 0.00 0.00 178.44 176.70 3jry h HIS 464 N 0.70 0.04 -0.57 1.13 2.76 -1.02 -2.99 115.15 115.20 3jry h HIS 464 Ca 0.18 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3jry h HIS 464 Cb 0.14 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3jry h HIS 464 CO -0.00 0.66 0.38 1.49 -1.30 0.00 0.00 177.93 179.15 3jry h GLU 465 N 0.02 0.71 -0.28 5.26 4.81 -1.16 -2.47 114.58 121.47 3jry h GLU 465 Ca -0.01 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3jry h GLU 465 Cb 1.13 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 3jry h GLU 465 CO 0.09 0.47 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.58 3jry h LYS 466 N 0.73 0.44 -2.00 1.92 3.64 -1.55 -3.37 116.57 116.38 3jry h LYS 466 Ca 0.21 -0.10 -0.42 0.00 -1.27 0.00 0.00 60.65 59.07 3jry h LYS 466 Cb -0.03 -0.06 -0.32 0.00 -0.41 0.00 0.00 32.23 31.40 3jry h LYS 466 CO -0.05 0.50 -0.76 0.95 -2.27 0.00 0.00 179.45 177.82 3jry s THR 467 N -4.90 -0.19 0.56 1.00 -4.23 -0.96 -5.11 115.64 101.81 3jry s THR 467 Ca -0.07 -1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 58.72 3jry s THR 467 Cb 0.15 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 3jry s THR 467 CO 0.76 -0.73 1.25 -2.84 -0.54 0.00 0.00 174.62 172.52 3jry s PRO 468 N 0.94 3.11 0.00 3.99 0.02 -1.00 -4.86 135.00 137.21 3jry s PRO 468 Ca 0.23 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3jry s PRO 468 Cb -0.09 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3jry s PRO 468 CO -0.07 -1.13 0.00 0.28 -0.33 0.00 0.00 177.00 175.76 3jry n VAL 469 N -1.27 0.00 -3.93 3.83 0.31 -1.26 -5.09 118.33 110.92 3jry n VAL 469 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.16 3jry n VAL 469 Cb 0.48 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.25 3jry n VAL 469 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3jry s SER 470 N -0.16 2.88 0.54 4.52 0.15 -1.26 -4.93 113.70 115.44 3jry s SER 470 Ca 0.00 -0.66 0.33 0.00 0.70 0.00 0.00 55.95 56.32 3jry s SER 470 Cb 0.00 -1.01 1.37 0.00 -1.71 0.00 0.00 66.02 64.67 3jry s SER 470 CO 0.00 -0.15 1.99 0.44 1.20 0.00 0.00 173.24 176.71 3jry h ASP 471 N 8.08 0.00 0.40 5.45 3.32 -1.99 -2.25 116.42 129.43 3jry h ASP 471 Ca -0.27 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 3jry h ASP 471 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3jry h ASP 471 CO 0.43 0.03 -0.70 0.03 -1.72 0.00 0.00 179.24 177.31 3jry h ARG 472 N 0.00 0.26 -0.08 3.56 3.08 -1.98 -2.09 114.38 117.14 3jry h ARG 472 Ca -0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 3jry h ARG 472 Cb 0.51 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3jry h ARG 472 CO 0.00 0.86 -0.23 0.28 -1.07 0.00 0.00 179.97 179.81 3jry h VAL 473 N 0.18 1.42 -0.49 2.04 2.07 -1.87 -2.79 116.25 116.81 3jry h VAL 473 Ca -0.02 -1.59 0.10 0.00 0.82 0.00 0.00 66.70 66.01 3jry h VAL 473 Cb 1.26 2.24 -0.09 0.00 -1.52 0.00 0.00 31.29 33.18 3jry h VAL 473 CO 0.11 0.45 -0.15 0.74 0.02 0.00 0.00 177.57 178.75 3jry h THR 474 N -0.19 0.47 0.65 2.57 2.02 -1.45 0.03 112.91 117.02 3jry h THR 474 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3jry h THR 474 Cb 0.85 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3jry h THR 474 CO 0.05 0.00 -0.31 0.50 0.37 0.00 0.00 175.52 176.13 3jry h LYS 475 N -0.03 -0.84 0.00 6.66 3.64 -1.41 -1.85 116.57 122.73 3jry h LYS 475 Ca 0.23 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3jry h LYS 475 Cb 0.39 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3jry h LYS 475 CO -0.52 -0.55 -0.01 0.00 -2.27 0.00 0.00 179.45 176.10 3jry n THR 478 N -3.58 0.06 -0.11 0.00 -2.24 -0.71 -4.65 114.28 103.06 3jry n THR 478 Ca -0.01 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 3jry n THR 478 Cb 0.79 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 3jry n THR 478 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3jry h GLU 479 N 0.00 0.48 -2.24 -0.78 4.81 -1.33 -3.44 114.58 112.08 3jry h GLU 479 Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3jry h GLU 479 Cb 0.60 -0.10 -0.23 0.00 0.63 0.00 0.00 28.75 29.65 3jry h GLU 479 CO 0.00 0.38 -0.18 0.45 -0.73 0.00 0.00 179.01 178.93 3jry s SER 480 N -5.61 -0.76 0.14 1.04 0.15 -1.26 -5.05 113.70 102.34 3jry s SER 480 Ca -0.13 1.29 -0.18 0.00 0.70 0.00 0.00 55.95 57.64 3jry s SER 480 Cb 0.10 1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 65.96 3jry s SER 480 CO 0.72 -0.22 1.78 0.25 1.20 0.00 0.00 173.24 176.98 3jry h LEU 481 N 7.63 0.29 -0.63 3.45 5.85 -1.85 -2.97 115.31 127.09 3jry h LEU 481 Ca -0.24 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 3jry h LEU 481 Cb 1.15 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3jry h LEU 481 CO 0.16 0.21 -0.61 0.58 -0.34 0.00 0.00 178.44 178.44 3jry h VAL 482 N 0.37 1.29 -0.44 1.05 2.07 -1.96 -3.03 116.25 115.60 3jry h VAL 482 Ca 0.12 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3jry h VAL 482 Cb -0.00 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3jry h VAL 482 CO -0.06 0.59 0.00 0.59 0.02 0.00 0.00 177.57 178.72 3jry n ASN 483 N -3.61 3.09 -0.05 0.57 3.02 -1.20 -4.54 115.26 112.53 3jry n ASN 483 Ca -0.00 -2.22 -0.08 0.00 -0.03 0.00 0.00 54.58 52.25 3jry n ASN 483 Cb 0.65 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 3jry n ASN 483 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3jry h ARG 484 N 2.70 0.07 -0.38 3.52 3.08 -1.40 -0.40 114.38 121.58 3jry h ARG 484 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3jry h ARG 484 Cb 0.93 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3jry h ARG 484 CO 0.12 0.05 0.00 0.07 -1.07 0.00 0.00 179.97 179.14 3jry h ARG 485 N 0.08 0.66 -0.58 0.04 0.11 -1.85 -2.07 114.38 110.76 3jry h ARG 485 Ca 0.11 -0.21 0.02 0.00 0.10 0.00 0.00 59.98 60.00 3jry h ARG 485 Cb 0.14 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.13 3jry h ARG 485 CO -0.19 0.76 0.38 -1.35 0.10 0.00 0.00 179.97 179.68 3jry h PRO 486 N 0.48 0.70 -0.09 0.08 0.11 -1.86 -2.54 132.00 128.88 3jry h PRO 486 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3jry h PRO 486 Cb 0.46 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3jry h PRO 486 CO 0.02 0.46 0.03 0.00 -0.21 0.00 0.00 178.00 178.30 3jry h PHE 488 N -0.04 0.86 -0.70 0.00 0.04 -1.36 -3.17 116.94 112.58 3jry h PHE 488 Ca 0.03 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3jry h PHE 488 Cb 0.22 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3jry h PHE 488 CO -0.00 0.66 0.39 0.77 -0.60 0.00 0.00 178.31 179.52 3jry h SER 489 N 0.86 0.86 1.25 2.17 0.02 -1.31 -2.34 113.55 115.05 3jry h SER 489 Ca 0.21 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3jry h SER 489 Cb 0.14 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3jry h SER 489 CO -0.02 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 3jry h ALA 490 N 1.45 1.00 -2.77 3.77 0.00 -1.47 -3.44 119.26 117.80 3jry h ALA 490 Ca 0.25 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.64 3jry h ALA 490 Cb 0.02 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.89 3jry h ALA 490 CO -0.04 0.00 0.50 -0.51 0.00 0.00 0.00 179.25 179.20 3jry s LEU 491 N -5.04 3.91 0.00 0.00 1.02 -0.88 -4.99 118.68 112.70 3jry s LEU 491 Ca 0.07 2.40 0.00 0.00 0.02 0.00 0.00 54.13 56.62 3jry s LEU 491 Cb 0.10 -4.33 0.00 0.00 0.02 0.00 0.00 46.19 41.98 3jry s LEU 491 CO 0.53 -1.17 0.00 -0.62 0.02 0.00 0.00 176.35 175.12 3jry n GLU 492 N -0.82 0.00 -5.14 1.70 -0.58 -1.26 -4.95 120.64 109.59 3jry n GLU 492 Ca 0.09 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.52 3jry n GLU 492 Cb 0.48 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.18 3jry n GLU 492 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3jry s VAL 493 N 0.33 1.92 -0.64 2.62 1.01 -1.26 -2.96 120.40 121.42 3jry s VAL 493 Ca 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 3jry s VAL 493 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3jry s VAL 493 CO 0.00 0.53 1.72 -0.62 0.00 0.00 0.00 175.10 176.74 3jry s ASP 494 N 0.26 5.48 0.33 3.32 -1.08 -0.98 -4.85 116.67 119.15 3jry s ASP 494 Ca -0.15 0.15 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 3jry s ASP 494 Cb -0.17 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.84 3jry s ASP 494 CO 0.07 -2.25 1.78 -0.33 0.52 0.00 0.00 175.17 174.96 3jry h GLU 495 N 13.80 0.00 -0.01 4.34 5.08 -1.94 -2.94 114.58 132.91 3jry h GLU 495 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3jry h GLU 495 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3jry h GLU 495 CO 1.23 0.00 -0.38 -2.37 -1.00 0.00 0.00 179.01 176.50 3jry n THR 496 N -2.45 0.00 -2.47 1.13 5.66 -1.26 -4.94 114.28 109.95 3jry n THR 496 Ca 0.02 -0.14 -0.42 0.00 -3.05 0.00 0.00 64.05 60.46 3jry n THR 496 Cb 0.25 0.62 -0.03 0.00 -1.55 0.00 0.00 70.33 69.61 3jry n THR 496 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 3jry s TYR 497 N -2.58 3.48 -0.30 1.09 5.04 -1.11 -5.02 117.35 117.95 3jry s TYR 497 Ca 0.21 1.38 -0.20 0.00 -2.44 0.00 0.00 57.07 56.01 3jry s TYR 497 Cb 0.19 -3.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.11 3jry s TYR 497 CO 0.57 -1.06 0.61 0.08 -1.34 0.00 0.00 175.55 174.41 3jry s VAL 498 N 0.96 4.96 0.27 3.14 1.01 -1.26 -5.01 120.40 124.46 3jry s VAL 498 Ca 0.57 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.12 3jry s VAL 498 Cb -0.28 -3.97 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 3jry s VAL 498 CO 0.29 -0.11 0.99 -2.65 0.00 0.00 0.00 175.10 173.63 3jry n PRO 499 N 5.82 1.22 -2.08 2.72 -0.02 -1.26 -4.88 135.00 136.52 3jry n PRO 499 Ca -0.02 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 3jry n PRO 499 Cb 0.49 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 3jry n PRO 499 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3jry s LYS 500 N -1.36 4.32 0.43 -0.52 2.20 -1.06 -4.98 119.74 118.78 3jry s LYS 500 Ca 0.61 2.24 -0.24 0.00 -0.36 0.00 0.00 55.97 58.22 3jry s LYS 500 Cb -0.74 -3.10 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 3jry s LYS 500 CO 0.59 -0.30 1.22 -1.21 -0.36 0.00 0.00 175.35 175.29 3jry s GLU 501 N -1.01 3.86 0.27 4.03 2.02 -1.26 -4.50 118.70 122.10 3jry s GLU 501 Ca 0.54 1.94 -0.31 0.00 0.02 0.00 0.00 54.97 57.16 3jry s GLU 501 Cb -0.40 -2.58 -0.12 0.00 0.10 0.00 0.00 34.13 31.13 3jry s GLU 501 CO 0.47 -0.52 1.55 0.34 0.02 0.00 0.00 175.26 177.13 3jry n PHE 502 N -0.18 2.64 -3.77 1.61 7.35 -1.26 -5.00 117.46 118.85 3jry n PHE 502 Ca 0.06 0.29 -0.26 0.00 -0.76 0.00 0.00 57.45 56.77 3jry n PHE 502 Cb 0.46 -2.56 -0.17 0.00 0.35 0.00 0.00 39.48 37.56 3jry n PHE 502 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3jry s ASN 503 N 0.49 2.49 0.14 -2.13 2.47 -1.26 -5.05 114.94 112.09 3jry s ASN 503 Ca 0.66 -0.57 -0.14 0.00 0.42 0.00 0.00 52.86 53.23 3jry s ASN 503 Cb -0.54 -0.59 0.01 0.00 -1.45 0.00 0.00 41.25 38.67 3jry s ASN 503 CO 0.47 -0.25 1.64 0.00 -3.72 0.00 0.00 177.10 175.24 3jry h ALA 504 N 8.25 0.59 -0.89 1.71 0.00 -1.95 -2.91 119.26 124.06 3jry h ALA 504 Ca -0.18 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3jry h ALA 504 Cb 1.12 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 3jry h ALA 504 CO 0.32 0.27 0.53 0.93 0.00 0.00 0.00 179.25 181.31 3jry h GLU 505 N 0.59 0.86 -0.57 0.00 3.07 -1.99 -1.72 114.58 114.82 3jry h GLU 505 Ca 0.14 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.06 3jry h GLU 505 Cb 0.32 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 3jry h GLU 505 CO 0.00 0.57 0.39 1.15 -1.40 0.00 0.00 179.01 179.71 3jry h THR 506 N 0.88 0.86 -1.82 1.13 2.02 -1.96 -2.62 112.91 111.40 3jry h THR 506 Ca 0.43 -0.11 -0.66 0.00 0.77 0.00 0.00 66.41 66.85 3jry h THR 506 Cb 0.39 0.53 -0.37 0.00 -1.74 0.00 0.00 68.15 66.96 3jry h THR 506 CO -0.25 0.06 -0.08 0.49 0.37 0.00 0.00 175.52 176.11 3jry n PHE 507 N -4.46 3.34 -4.42 3.16 3.72 -0.65 -4.97 117.46 113.19 3jry n PHE 507 Ca 0.10 -2.98 -0.26 0.00 -0.05 0.00 0.00 57.45 54.25 3jry n PHE 507 Cb 0.42 -0.54 -0.04 0.00 -0.94 0.00 0.00 39.48 38.38 3jry n PHE 507 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3jry n THR 508 N -0.43 0.00 -2.61 4.37 5.66 -0.99 -4.99 114.28 115.30 3jry n THR 508 Ca 0.43 -1.99 -0.03 0.00 -3.05 0.00 0.00 64.05 59.40 3jry n THR 508 Cb 0.47 0.27 0.01 0.00 -1.55 0.00 0.00 70.33 69.53 3jry n THR 508 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3jry n PHE 509 N -1.22 -3.14 0.00 1.09 1.16 -1.26 -5.06 117.46 109.03 3jry n PHE 509 Ca -0.14 -0.26 0.00 0.00 -1.87 0.00 0.00 57.45 55.18 3jry n PHE 509 Cb 0.54 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 3jry n PHE 509 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 3jry n HIS 510 N -1.40 0.00 0.00 2.97 -0.00 -1.26 -5.01 115.22 110.52 3jry n HIS 510 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 3jry n HIS 510 Cb 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 3jry n HIS 510 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3jry n ALA 511 N -0.52 0.00 1.24 1.57 0.00 -1.26 -4.43 120.51 117.11 3jry n ALA 511 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3jry n ALA 511 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 3jry n ALA 511 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3jry n ASP 512 N 0.11 1.64 0.04 0.00 2.03 -1.26 -3.31 116.55 115.80 3jry n ASP 512 Ca 0.00 -1.70 0.03 0.00 0.52 0.00 0.00 54.79 53.63 3jry n ASP 512 Cb 0.00 -0.10 0.40 0.00 -0.72 0.00 0.00 41.12 40.69 3jry n ASP 512 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3jry h ILE 513 N 2.18 1.14 -3.69 5.18 2.10 -1.97 -3.36 117.51 119.08 3jry h ILE 513 Ca 0.00 -0.45 -0.47 0.00 1.08 0.00 0.00 64.86 65.01 3jry h ILE 513 Cb 0.48 0.80 0.20 0.00 -1.09 0.00 0.00 36.82 37.20 3jry h ILE 513 CO 0.00 0.17 0.11 0.00 -1.08 0.00 0.00 178.15 177.34 3jry n THR 515 N -4.60 0.00 -2.79 0.00 -2.24 -1.26 -4.94 114.28 98.45 3jry n THR 515 Ca 0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.47 3jry n THR 515 Cb 0.53 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 3jry n THR 515 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jry s LEU 516 N 0.00 4.39 1.07 3.22 1.43 -1.17 -5.05 118.68 122.56 3jry s LEU 516 Ca 0.00 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 3jry s LEU 516 Cb 0.00 -3.94 0.23 0.00 0.03 0.00 0.00 46.19 42.52 3jry s LEU 516 CO 0.00 -0.03 1.08 -0.94 0.23 0.00 0.00 176.35 176.69 3jry s SER 517 N -1.54 1.69 0.00 2.29 1.04 -1.26 -4.75 113.70 111.16 3jry s SER 517 Ca 0.48 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.76 3jry s SER 517 Cb -0.20 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3jry s SER 517 CO 0.25 -3.81 0.94 1.21 0.98 0.00 0.00 173.24 172.81 3jry n GLU 518 N -4.68 0.00 -0.24 4.02 4.07 -1.26 -1.80 120.64 120.75 3jry n GLU 518 Ca 0.07 0.63 -0.02 0.00 -0.06 0.00 0.00 57.16 57.78 3jry n GLU 518 Cb 0.53 -1.44 0.01 0.00 -0.06 0.00 0.00 31.44 30.48 3jry n GLU 518 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3jry n LYS 519 N -2.18 -0.17 -0.32 5.31 2.85 -1.26 -0.62 118.16 121.77 3jry n LYS 519 Ca 0.00 0.96 -0.04 0.00 -1.05 0.00 0.00 58.31 58.18 3jry n LYS 519 Cb 0.00 -1.42 0.08 0.00 -0.65 0.00 0.00 35.03 33.04 3jry n LYS 519 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3jry h GLU 520 N 0.00 1.23 -0.17 -1.58 5.08 -1.89 -1.35 114.58 115.90 3jry h GLU 520 Ca 0.20 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 3jry h GLU 520 Cb 0.35 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3jry h GLU 520 CO -0.62 0.92 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.54 3jry h ARG 521 N 1.22 0.68 -0.39 2.33 2.43 -0.06 -0.89 114.38 119.70 3jry h ARG 521 Ca 0.30 -0.51 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3jry h ARG 521 Cb 0.07 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3jry h ARG 521 CO -0.04 1.13 0.05 1.96 -1.51 0.00 0.00 179.97 181.55 3jry h GLN 522 N 0.49 0.65 -0.77 0.20 4.20 -1.18 -1.41 115.11 117.29 3jry h GLN 522 Ca -0.02 -0.18 0.12 0.00 0.06 0.00 0.00 58.65 58.62 3jry h GLN 522 Cb 1.28 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.91 3jry h GLN 522 CO 0.14 0.72 0.38 0.82 -0.67 0.00 0.00 178.83 180.21 3jry h ILE 523 N 0.50 0.79 -0.45 2.54 1.08 -1.15 0.10 117.51 120.91 3jry h ILE 523 Ca 0.12 -0.20 -0.07 0.00 -0.39 0.00 0.00 64.86 64.31 3jry h ILE 523 Cb 0.39 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 3jry h ILE 523 CO 0.01 0.11 0.01 0.50 -0.69 0.00 0.00 178.15 178.09 3jry h LYS 524 N 0.60 0.79 -0.35 2.37 3.64 -0.90 -1.75 116.57 120.98 3jry h LYS 524 Ca 0.40 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3jry h LYS 524 Cb 0.49 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3jry h LYS 524 CO -0.32 0.85 -0.28 0.87 -2.27 0.00 0.00 179.45 178.30 3jry h LYS 525 N 0.64 0.72 -0.35 1.90 1.57 -0.76 -2.87 116.57 117.42 3jry h LYS 525 Ca 0.13 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 3jry h LYS 525 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3jry h LYS 525 CO 0.02 0.92 -0.27 1.96 -0.57 0.00 0.00 179.45 181.51 3jry h GLN 526 N 0.62 0.72 -0.77 3.15 4.20 -0.62 -1.87 115.11 120.54 3jry h GLN 526 Ca 0.08 -0.31 0.05 0.00 0.06 0.00 0.00 58.65 58.53 3jry h GLN 526 Cb 0.79 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 3jry h GLN 526 CO 0.06 0.91 0.47 1.15 -0.67 0.00 0.00 178.83 180.76 3jry h THR 527 N 0.62 1.04 -0.00 -0.54 2.02 -1.30 -1.94 112.91 112.80 3jry h THR 527 Ca 0.08 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 3jry h THR 527 Cb 0.78 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3jry h THR 527 CO 0.06 0.16 -0.44 0.00 0.37 0.00 0.00 175.52 175.67 3jry h ALA 528 N 1.36 1.26 0.08 6.16 0.00 -1.21 -2.36 119.26 124.56 3jry h ALA 528 Ca 0.33 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3jry h ALA 528 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jry h ALA 528 CO -0.15 0.56 -0.04 1.25 0.00 0.00 0.00 179.25 180.86 3jry h LEU 529 N 0.00 -0.09 -0.61 0.00 5.85 -1.03 -1.87 115.31 117.56 3jry h LEU 529 Ca -0.00 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 58.50 3jry h LEU 529 Cb 0.79 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.73 3jry h LEU 529 CO 0.06 0.30 -0.07 0.58 -0.34 0.00 0.00 178.44 178.97 3jry h VAL 530 N -0.50 0.44 -0.44 1.05 2.07 -1.23 -1.22 116.25 116.42 3jry h VAL 530 Ca -0.01 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3jry h VAL 530 Cb 0.43 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3jry h VAL 530 CO 0.02 0.01 -0.11 -0.33 0.02 0.00 0.00 177.57 177.18 3jry h GLU 531 N 0.06 0.80 -0.89 1.57 4.39 -1.37 -1.18 114.58 117.95 3jry h GLU 531 Ca 0.31 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3jry h GLU 531 Cb 0.49 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 3jry h GLU 531 CO -0.58 0.87 0.52 1.25 -1.16 0.00 0.00 179.01 179.92 3jry h LEU 532 N 0.72 1.08 -0.34 1.33 5.85 -0.79 -1.47 115.31 121.70 3jry h LEU 532 Ca 0.12 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 3jry h LEU 532 Cb 0.59 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3jry h LEU 532 CO 0.04 0.84 -0.61 0.58 -0.34 0.00 0.00 178.44 178.95 3jry h VAL 533 N 1.23 1.29 -0.67 1.05 2.07 -0.80 -1.63 116.25 118.80 3jry h VAL 533 Ca 0.32 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 66.04 3jry h VAL 533 Cb -0.03 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3jry h VAL 533 CO -0.06 0.58 0.44 0.11 0.02 0.00 0.00 177.57 178.66 3jry h LYS 534 N 0.56 0.80 -0.21 1.57 1.57 -1.05 -1.88 116.57 117.93 3jry h LYS 534 Ca -0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 3jry h LYS 534 Cb 1.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3jry h LYS 534 CO 0.13 0.53 -0.49 1.25 -0.57 0.00 0.00 179.45 180.29 3jry h HIS 535 N 0.83 0.69 -2.13 -1.35 2.76 -1.02 -2.80 115.15 112.13 3jry h HIS 535 Ca 0.26 -0.23 -0.57 0.00 -2.20 0.00 0.00 60.37 57.63 3jry h HIS 535 Cb 0.02 -0.14 -0.39 0.00 1.55 0.00 0.00 27.41 28.45 3jry h HIS 535 CO -0.00 0.94 -1.02 1.63 -1.30 0.00 0.00 177.93 178.19 3jry n LYS 536 N -3.99 0.81 0.31 5.26 4.76 -0.63 -4.55 118.16 120.13 3jry n LYS 536 Ca -0.03 -3.39 0.17 0.00 -2.87 0.00 0.00 58.31 52.20 3jry n LYS 536 Cb 0.57 -1.44 0.99 0.00 -1.84 0.00 0.00 35.03 33.30 3jry n LYS 536 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3jry h PRO 537 N 4.40 0.00 -0.55 1.97 0.11 -1.56 -1.92 132.00 134.46 3jry h PRO 537 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3jry h PRO 537 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3jry h PRO 537 CO 0.49 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 179.92 3jry n LYS 538 N -3.54 2.69 -1.78 1.05 4.01 -1.26 -4.95 118.16 114.38 3jry n LYS 538 Ca -0.03 -2.38 -0.41 0.00 -0.51 0.00 0.00 58.31 54.99 3jry n LYS 538 Cb 0.11 -1.45 -0.00 0.00 -0.51 0.00 0.00 35.03 33.18 3jry n LYS 538 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3jry s ALA 539 N -1.05 3.59 0.89 7.82 0.00 -0.72 -4.98 121.76 127.32 3jry s ALA 539 Ca 0.38 1.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.81 3jry s ALA 539 Cb 0.20 -3.62 0.17 0.00 0.00 0.00 0.00 23.12 19.87 3jry s ALA 539 CO 0.27 -1.08 1.24 -0.08 0.00 0.00 0.00 175.76 176.11 3jry s THR 540 N -1.04 2.03 0.25 0.00 -1.32 -1.26 -4.87 115.64 109.43 3jry s THR 540 Ca 0.54 -0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.87 3jry s THR 540 Cb -0.47 -2.94 0.20 0.00 -1.51 0.00 0.00 72.50 67.78 3jry s THR 540 CO 0.63 0.00 1.86 0.50 -2.21 0.00 0.00 174.62 175.39 3jry h LYS 541 N -1.36 1.17 -0.07 7.08 3.64 -1.99 -2.02 116.57 123.03 3jry h LYS 541 Ca -0.44 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 58.59 3jry h LYS 541 Cb 1.26 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3jry h LYS 541 CO 0.44 0.88 -0.79 1.49 -2.27 0.00 0.00 179.45 179.19 3jry h GLU 542 N 1.17 0.46 -0.24 1.90 4.57 -1.99 -2.16 114.58 118.29 3jry h GLU 542 Ca 0.29 -0.41 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 3jry h GLU 542 Cb 0.07 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3jry h GLU 542 CO -0.04 1.05 -0.41 1.96 -1.18 0.00 0.00 179.01 180.38 3jry h GLN 543 N 0.30 0.71 -0.10 1.92 4.20 -1.90 -2.89 115.11 117.35 3jry h GLN 543 Ca -0.05 -0.44 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 3jry h GLN 543 Cb 1.39 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 3jry h GLN 543 CO 0.14 1.06 -0.29 -0.07 -0.67 0.00 0.00 178.83 179.00 3jry h LEU 544 N 0.44 0.18 0.57 1.46 3.38 -1.41 -2.75 115.31 117.18 3jry h LEU 544 Ca 0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3jry h LEU 544 Cb 1.01 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.72 3jry h LEU 544 CO 0.09 0.47 -0.27 0.50 0.09 0.00 0.00 178.44 179.32 3jry h LYS 545 N 0.16 -0.74 -0.96 1.13 1.63 -1.31 -2.10 116.57 114.38 3jry h LYS 545 Ca 0.02 0.05 0.12 0.00 -0.85 0.00 0.00 60.65 59.99 3jry h LYS 545 Cb 0.60 0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 32.32 3jry h LYS 545 CO 0.04 -0.46 0.61 0.00 -3.45 0.00 0.00 179.45 176.19 3jry h ALA 546 N -0.45 1.60 -0.17 5.00 0.00 -1.44 -1.44 119.26 122.36 3jry h ALA 546 Ca -0.08 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3jry h ALA 546 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3jry h ALA 546 CO 0.13 0.17 -0.52 -0.24 0.00 0.00 0.00 179.25 178.79 3jry h VAL 547 N 0.92 1.32 -0.47 0.00 3.04 -1.38 -1.29 116.25 118.39 3jry h VAL 547 Ca 0.47 -1.76 -0.05 0.00 -1.01 0.00 0.00 66.70 64.34 3jry h VAL 547 Cb 0.50 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 3jry h VAL 547 CO -0.23 0.55 0.09 0.24 -1.01 0.00 0.00 177.57 177.21 3jry h MET 548 N 0.33 0.77 -0.21 4.17 2.07 -1.10 -0.68 114.93 120.27 3jry h MET 548 Ca -0.02 -0.20 -0.04 0.00 -2.07 0.00 0.00 59.70 57.37 3jry h MET 548 Cb 1.14 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.76 3jry h MET 548 CO 0.11 0.77 -0.06 -0.44 1.07 0.00 0.00 176.91 178.36 3jry h ASP 549 N 0.64 0.30 -0.12 1.22 3.32 -1.25 -0.15 116.42 120.39 3jry h ASP 549 Ca 0.14 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 3jry h ASP 549 Cb 0.36 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3jry h ASP 549 CO 0.01 0.41 -0.52 0.44 -1.72 0.00 0.00 179.24 177.86 3jry h ASP 550 N 0.31 0.76 -0.01 6.45 5.19 -0.86 -2.86 116.42 125.41 3jry h ASP 550 Ca 0.07 -0.39 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3jry h ASP 550 Cb 0.32 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 3jry h ASP 550 CO 0.01 1.14 0.00 0.15 -3.12 0.00 0.00 179.24 177.42 3jry h PHE 551 N 0.54 0.01 -0.82 4.55 3.57 -0.32 -1.68 116.94 122.79 3jry h PHE 551 Ca 0.02 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3jry h PHE 551 Cb 1.08 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 3jry h PHE 551 CO 0.05 0.24 0.54 0.00 -2.23 0.00 0.00 178.31 176.91 3jry h ALA 552 N 0.77 1.60 -0.06 2.41 0.00 -1.08 -0.65 119.26 122.24 3jry h ALA 552 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3jry h ALA 552 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jry h ALA 552 CO 0.00 0.28 -0.72 0.00 0.00 0.00 0.00 179.25 178.81 3jry h ALA 553 N 1.55 0.65 0.06 0.00 0.00 -1.46 -2.56 119.26 117.49 3jry h ALA 553 Ca 0.35 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3jry h ALA 553 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jry h ALA 553 CO -0.12 0.78 -0.03 0.35 0.00 0.00 0.00 179.25 180.23 3jry h PHE 554 N 0.23 -0.07 -0.50 0.00 3.57 -0.22 -2.19 116.94 117.75 3jry h PHE 554 Ca -0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3jry h PHE 554 Cb 1.29 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 3jry h PHE 554 CO 0.04 0.11 0.23 0.28 -2.23 0.00 0.00 178.31 176.73 3jry h VAL 555 N -0.24 0.91 -0.74 1.41 2.07 -1.18 -2.00 116.25 116.48 3jry h VAL 555 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3jry h VAL 555 Cb 0.21 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3jry h VAL 555 CO 0.01 0.08 0.48 -0.08 0.02 0.00 0.00 177.57 178.09 3jry h GLU 556 N 0.45 0.99 -0.40 1.57 4.57 -1.39 -2.63 114.58 117.74 3jry h GLU 556 Ca 0.23 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 3jry h GLU 556 Cb 0.18 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3jry h GLU 556 CO -0.19 0.66 -0.32 -0.22 -1.18 0.00 0.00 179.01 177.77 3jry h LYS 557 N 1.01 0.91 0.00 1.92 3.64 -0.95 -3.32 116.57 119.79 3jry h LYS 557 Ca 0.27 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3jry h LYS 557 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3jry h LYS 557 CO -0.06 1.11 -0.49 0.00 -2.27 0.00 0.00 179.45 177.74 3jry n LYS 560 N -3.06 1.51 -1.08 0.00 2.85 -1.24 -5.00 118.16 112.14 3jry n LYS 560 Ca 0.01 -1.47 -0.33 0.00 -1.05 0.00 0.00 58.31 55.47 3jry n LYS 560 Cb 0.64 -1.34 0.13 0.00 -0.65 0.00 0.00 35.03 33.81 3jry n LYS 560 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3jry s ALA 561 N -1.56 1.81 -0.04 0.58 0.00 -1.17 -4.96 121.76 116.43 3jry s ALA 561 Ca 0.20 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 3jry s ALA 561 Cb 0.15 -3.48 -0.21 0.00 0.00 0.00 0.00 23.12 19.58 3jry s ALA 561 CO 0.25 -2.32 1.15 -0.44 0.00 0.00 0.00 175.76 174.40 3jry h ASP 562 N -1.01 -0.02 -3.68 0.00 3.32 -1.93 -3.37 116.42 109.73 3jry h ASP 562 Ca -0.46 -0.56 -0.77 0.00 0.02 0.00 0.00 57.03 55.26 3jry h ASP 562 Cb 1.29 0.01 -0.27 0.00 0.22 0.00 0.00 39.33 40.58 3jry h ASP 562 CO 0.46 0.56 -0.04 -0.62 -1.72 0.00 0.00 179.24 177.88 3jry s ASP 563 N -5.76 6.44 0.08 6.45 -1.08 -1.26 -4.96 116.67 116.59 3jry s ASP 563 Ca -0.16 -2.48 -0.17 0.00 -0.52 0.00 0.00 52.55 49.22 3jry s ASP 563 Cb 0.01 -2.17 -0.11 0.00 -1.46 0.00 0.00 42.92 39.19 3jry s ASP 563 CO 0.66 -0.62 1.38 0.11 0.52 0.00 0.00 175.17 177.22 3jry h LYS 564 N 7.97 0.59 -0.35 4.34 1.57 -1.80 -2.63 116.57 126.26 3jry h LYS 564 Ca -0.01 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 3jry h LYS 564 Cb 1.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3jry h LYS 564 CO 0.81 0.93 -0.22 0.93 -0.57 0.00 0.00 179.45 181.33 3jry h GLU 565 N 0.29 0.68 -0.40 3.15 3.07 -1.93 -0.06 114.58 119.38 3jry h GLU 565 Ca 0.03 -0.26 -0.10 0.00 -0.50 0.00 0.00 59.36 58.53 3jry h GLU 565 Cb 0.83 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3jry h GLU 565 CO 0.06 0.85 -0.15 1.15 -1.40 0.00 0.00 179.01 179.52 3jry h THR 566 N 0.60 1.26 -0.14 1.13 2.02 -1.98 -1.53 112.91 114.26 3jry h THR 566 Ca 0.09 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 3jry h THR 566 Cb 0.70 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3jry h THR 566 CO 0.05 0.41 -0.02 0.00 0.37 0.00 0.00 175.52 176.34 3jry h PHE 568 N -0.02 0.58 -0.00 0.00 0.04 -0.91 0.29 116.94 116.92 3jry h PHE 568 Ca 0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3jry h PHE 568 Cb 0.42 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 3jry h PHE 568 CO 0.04 0.30 -0.00 0.00 -0.60 0.00 0.00 178.31 178.05 3jry h ALA 569 N 1.28 0.00 0.20 2.45 0.00 -1.25 -2.17 119.26 119.78 3jry h ALA 569 Ca 0.24 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 3jry h ALA 569 Cb 0.11 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3jry h ALA 569 CO -0.14 -0.32 -1.47 0.93 0.00 0.00 0.00 179.25 178.24 3jry h GLU 570 N -0.34 0.43 0.00 0.00 5.08 -1.11 -3.08 114.58 115.56 3jry h GLU 570 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 3jry h GLU 570 Cb 0.35 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3jry h GLU 570 CO 0.00 1.35 0.00 0.39 -1.00 0.00 0.00 179.01 179.75 3jry n GLU 571 N -3.76 0.10 -0.02 2.33 -0.58 0.10 -3.15 120.64 115.67 3jry n GLU 571 Ca -0.20 0.32 -0.16 0.00 -0.42 0.00 0.00 57.16 56.70 3jry n GLU 571 Cb 1.04 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 30.12 3jry n GLU 571 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3jry h GLY 572 N 2.55 0.39 1.79 0.62 0.00 -1.30 -2.96 103.07 104.15 3jry h GLY 572 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3jry h GLY 572 CO 0.00 0.55 -0.08 0.50 0.00 0.00 0.00 176.54 177.50 3jry h LYS 573 N -0.17 0.27 -0.42 4.80 1.57 -1.49 -1.77 116.57 119.35 3jry h LYS 573 Ca -0.04 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3jry h LYS 573 Cb 1.12 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3jry h LYS 573 CO 0.09 0.37 -0.10 0.87 -0.57 0.00 0.00 179.45 180.10 3jry h LYS 574 N 0.26 0.80 0.26 3.15 1.79 -1.61 -0.13 116.57 121.10 3jry h LYS 574 Ca 0.06 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 3jry h LYS 574 Cb 0.32 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3jry h LYS 574 CO 0.02 0.93 -0.13 1.25 -1.08 0.00 0.00 179.45 180.44 3jry h LEU 575 N 0.63 -0.30 -0.90 2.94 5.85 -1.27 -1.09 115.31 121.17 3jry h LEU 575 Ca 0.11 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.98 3jry h LEU 575 Cb 0.63 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.64 3jry h LEU 575 CO 0.04 -0.19 0.48 0.58 -0.34 0.00 0.00 178.44 179.01 3jry h VAL 576 N -0.38 0.70 -0.22 1.05 2.07 -1.30 -2.77 116.25 115.39 3jry h VAL 576 Ca -0.04 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3jry h VAL 576 Cb 0.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3jry h VAL 576 CO 0.06 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.75 3jry h ALA 577 N 1.60 0.29 -1.91 1.67 0.00 -0.57 -3.40 119.26 116.93 3jry h ALA 577 Ca 0.50 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 54.61 3jry h ALA 577 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3jry h ALA 577 CO -0.39 0.03 1.28 0.00 0.00 0.00 0.00 179.25 180.17 3jry s ALA 578 N -4.92 2.93 0.00 0.00 0.00 -0.45 -5.09 121.76 114.22 3jry s ALA 578 Ca -0.14 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3jry s ALA 578 Cb 0.07 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3jry s ALA 578 CO 0.74 -2.53 0.00 -1.13 0.00 0.00 0.00 175.76 172.84