#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1j s ASP 27 N 0.00 1.53 0.58 6.43 1.47 -1.26 -5.03 116.67 120.38 1x1j s ASP 27 Ca 0.00 -1.58 0.33 0.00 1.18 0.00 0.00 52.55 52.48 1x1j s ASP 27 Cb 0.00 0.42 1.78 0.00 -0.34 0.00 0.00 42.92 44.77 1x1j s ASP 27 CO 0.00 -0.91 2.17 -0.08 0.68 0.00 0.00 175.17 177.03 1x1j h GLU 28 N 2.21 0.00 -0.10 2.11 4.81 -2.03 -2.21 114.58 119.36 1x1j h GLU 28 Ca -0.33 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1x1j h GLU 28 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1x1j h GLU 28 CO 0.50 0.05 -0.12 0.74 -0.73 0.00 0.00 179.01 179.45 1x1j h PHE 29 N 0.00 0.32 -0.65 0.92 0.04 -1.96 -0.11 116.94 115.51 1x1j h PHE 29 Ca -0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1x1j h PHE 29 Cb 0.21 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1x1j h PHE 29 CO 0.00 0.70 0.41 -0.44 -0.60 0.00 0.00 178.31 178.38 1x1j h ASP 30 N -0.15 0.75 -0.29 2.17 5.19 -1.75 0.45 116.42 122.79 1x1j h ASP 30 Ca 0.01 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1x1j h ASP 30 Cb 0.66 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1x1j h ASP 30 CO 0.03 0.56 0.15 0.00 -3.12 0.00 0.00 179.24 176.87 1x1j h ALA 31 N 1.57 0.38 -0.45 3.45 0.00 -1.18 -1.13 119.26 121.90 1x1j h ALA 31 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1x1j h ALA 31 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1x1j h ALA 31 CO -0.05 -0.08 -0.10 -0.07 0.00 0.00 0.00 179.25 178.95 1x1j h LEU 32 N 0.35 0.87 -0.64 0.00 3.38 -0.06 -2.03 115.31 117.17 1x1j h LEU 32 Ca 0.10 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1x1j h LEU 32 Cb 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1x1j h LEU 32 CO -0.01 1.02 0.34 -0.09 0.09 0.00 0.00 178.44 179.79 1x1j h ARG 33 N 0.70 0.62 0.00 1.13 2.43 0.14 -0.03 114.38 119.37 1x1j h ARG 33 Ca 0.12 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1x1j h ARG 33 Cb 0.64 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1x1j h ARG 33 CO 0.04 0.41 -0.44 0.82 -1.51 0.00 0.00 179.97 179.30 1x1j h ILE 34 N 0.64 1.31 -0.28 1.20 2.04 -1.12 -1.03 117.51 120.27 1x1j h ILE 34 Ca 0.29 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 1x1j h ILE 34 Cb 0.19 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1x1j h ILE 34 CO -0.18 0.43 0.07 0.50 0.00 0.00 0.00 178.15 178.96 1x1j h LYS 35 N 0.00 0.45 -0.43 2.37 3.64 -0.32 -1.79 116.57 120.49 1x1j h LYS 35 Ca -0.00 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 1x1j h LYS 35 Cb 0.77 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1x1j h LYS 35 CO 0.06 0.53 -0.28 2.35 -2.27 0.00 0.00 179.45 179.84 1x1j h TRP 36 N 0.29 1.09 -0.98 1.91 2.91 -0.87 -2.59 115.95 117.71 1x1j h TRP 36 Ca 0.09 -0.28 0.05 0.00 1.13 0.00 0.00 58.89 59.87 1x1j h TRP 36 Cb 0.28 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 28.62 1x1j h TRP 36 CO 0.01 1.10 0.64 0.00 -1.03 0.00 0.00 178.44 179.16 1x1j h ALA 37 N 0.88 1.33 -0.24 2.65 0.00 -1.02 -0.79 119.26 122.07 1x1j h ALA 37 Ca 0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1x1j h ALA 37 Cb 0.85 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x1j h ALA 37 CO 0.08 0.48 -0.33 1.15 0.00 0.00 0.00 179.25 180.62 1x1j h THR 38 N 1.20 1.29 0.00 0.00 2.02 -1.18 -0.87 112.91 115.37 1x1j h THR 38 Ca 0.41 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 1x1j h THR 38 Cb 0.08 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1x1j h THR 38 CO -0.15 0.45 -0.12 0.25 0.37 0.00 0.00 175.52 176.33 1x1j h LEU 39 N 0.44 0.00 0.03 2.58 6.46 -0.78 0.67 115.31 124.71 1x1j h LEU 39 Ca 0.05 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.52 1x1j h LEU 39 Cb 0.79 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1x1j h LEU 39 CO 0.06 0.12 -1.60 -0.07 -0.62 0.00 0.00 178.44 176.34 1x1j h LEU 40 N 0.00 0.11 0.00 2.25 3.38 -0.60 -3.41 115.31 117.04 1x1j h LEU 40 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1x1j h LEU 40 Cb 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1x1j h LEU 40 CO 0.02 1.17 -1.13 0.35 0.09 0.00 0.00 178.44 178.93 1x1j n THR 41 N -3.21 0.00 -0.01 0.22 -2.24 -0.40 -4.74 114.28 103.91 1x1j n THR 41 Ca -0.16 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1x1j n THR 41 Cb 1.03 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1x1j n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1j n GLY 42 N 1.71 0.35 0.00 3.38 0.00 0.23 -4.52 105.19 106.34 1x1j n GLY 42 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1x1j n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1j n GLY 43 N -2.00 -1.02 0.19 -0.02 0.00 -1.21 -4.10 105.19 97.03 1x1j n GLY 43 Ca 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 1x1j n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1j h PRO 44 N 0.00 0.19 -0.49 1.61 0.13 -1.96 -2.83 132.00 128.65 1x1j h PRO 44 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1x1j h PRO 44 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x1j h PRO 44 CO 0.00 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1x1j n ALA 45 N -2.47 2.52 -1.95 -0.56 0.00 -1.26 -4.76 120.51 112.04 1x1j n ALA 45 Ca -0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1x1j n ALA 45 Cb 0.48 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1x1j n ALA 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x1j s LEU 46 N -0.57 3.08 -0.82 0.00 1.98 -1.07 -4.86 118.68 116.42 1x1j s LEU 46 Ca 0.02 -0.62 -0.31 0.00 -2.89 0.00 0.00 54.13 50.33 1x1j s LEU 46 Cb 0.01 -2.56 -0.18 0.00 0.66 0.00 0.00 46.19 44.12 1x1j s LEU 46 CO 0.01 -3.05 2.58 -0.67 -1.89 0.00 0.00 176.35 173.33 1x1j n ASP 47 N 15.08 0.89 0.00 3.68 4.64 -1.26 -4.76 116.55 134.82 1x1j n ASP 47 Ca 0.42 0.05 0.08 0.00 -1.38 0.00 0.00 54.79 53.96 1x1j n ASP 47 Cb 0.46 -1.10 0.39 0.00 -1.04 0.00 0.00 41.12 39.83 1x1j n ASP 47 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1x1j n PRO 48 N 8.55 0.11 0.17 -0.67 -0.04 -1.26 -2.02 135.00 139.84 1x1j n PRO 48 Ca 0.57 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1x1j n PRO 48 Cb 0.16 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.21 1x1j n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x1j h ALA 49 N 2.68 0.76 -2.46 0.55 0.00 -2.00 -3.39 119.26 115.40 1x1j h ALA 49 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1x1j h ALA 49 Cb 0.23 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1x1j h ALA 49 CO 0.00 0.01 1.05 0.34 0.00 0.00 0.00 179.25 180.65 1x1j s ASP 50 N -5.81 6.54 0.13 0.00 -1.08 -0.86 -4.90 116.67 110.68 1x1j s ASP 50 Ca 0.03 2.58 -0.33 0.00 -0.52 0.00 0.00 52.55 54.32 1x1j s ASP 50 Cb 0.07 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.86 1x1j s ASP 50 CO 0.73 -0.94 1.55 -1.28 0.52 0.00 0.00 175.17 175.75 1x1j h SER 51 N 8.54 -1.81 -0.72 -0.34 0.87 -1.89 -0.75 113.55 117.46 1x1j h SER 51 Ca -0.44 0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1x1j h SER 51 Cb 1.21 0.73 -0.03 0.00 -0.44 0.00 0.00 62.40 63.87 1x1j h SER 51 CO 0.94 -0.42 0.33 0.44 -0.53 0.00 0.00 176.83 177.58 1x1j h ASP 52 N -0.44 0.95 0.59 6.23 5.19 -1.97 -1.22 116.42 125.75 1x1j h ASP 52 Ca 0.07 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1x1j h ASP 52 Cb 0.62 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1x1j h ASP 52 CO -0.56 0.83 -0.37 0.40 -3.12 0.00 0.00 179.24 176.42 1x1j h ILE 53 N 1.01 0.24 -0.92 0.35 2.04 -1.79 0.82 117.51 119.26 1x1j h ILE 53 Ca 0.24 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.23 1x1j h ILE 53 Cb 0.14 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.37 1x1j h ILE 53 CO -0.03 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.66 1x1j h ALA 54 N -0.60 1.38 -0.33 1.87 0.00 -1.07 0.41 119.26 120.93 1x1j h ALA 54 Ca -0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x1j h ALA 54 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1x1j h ALA 54 CO 0.07 0.08 0.20 0.00 0.00 0.00 0.00 179.25 179.59 1x1j h ALA 55 N 1.53 0.42 -0.47 0.00 0.00 -0.79 -1.13 119.26 118.82 1x1j h ALA 55 Ca 0.47 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1x1j h ALA 55 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1x1j h ALA 55 CO -0.30 -0.08 -0.01 -0.09 0.00 0.00 0.00 179.25 178.77 1x1j h ARG 56 N 0.42 0.84 0.00 0.00 9.65 0.91 -2.57 114.38 123.63 1x1j h ARG 56 Ca 0.12 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1x1j h ARG 56 Cb 0.01 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1x1j h ARG 56 CO -0.02 0.90 -0.04 1.79 2.80 0.00 0.00 179.97 185.39 1x1j h THR 57 N 0.70 0.16 0.14 0.20 1.35 -0.01 -1.55 112.91 113.90 1x1j h THR 57 Ca 0.13 -0.43 -0.19 0.00 -0.55 0.00 0.00 66.41 65.37 1x1j h THR 57 Cb 0.52 1.37 0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1x1j h THR 57 CO 0.03 0.04 -0.84 0.44 -0.25 0.00 0.00 175.52 174.94 1x1j h ASP 58 N 0.00 0.46 -0.99 5.36 3.32 -0.96 -2.28 116.42 121.33 1x1j h ASP 58 Ca -0.00 -0.95 0.04 0.00 0.02 0.00 0.00 57.03 56.14 1x1j h ASP 58 Cb 0.36 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1x1j h ASP 58 CO 0.01 1.40 0.65 0.50 -1.72 0.00 0.00 179.24 180.07 1x1j h LYS 59 N -0.37 1.20 0.74 3.56 3.64 -1.18 -0.59 116.57 123.57 1x1j h LYS 59 Ca -0.15 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1x1j h LYS 59 Cb 1.65 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1x1j h LYS 59 CO 0.15 0.79 -0.36 1.25 -2.27 0.00 0.00 179.45 179.01 1x1j h LEU 60 N 1.23 -0.84 -1.58 5.20 5.85 -1.33 -2.23 115.31 121.60 1x1j h LEU 60 Ca 0.40 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.23 1x1j h LEU 60 Cb 0.04 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1x1j h LEU 60 CO -0.13 -0.56 0.42 0.00 -0.34 0.00 0.00 178.44 177.83 1x1j h ALA 61 N -0.83 1.96 -0.02 1.25 0.00 -1.05 -1.65 119.26 118.92 1x1j h ALA 61 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1x1j h ALA 61 Cb 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x1j h ALA 61 CO 0.17 -0.10 -0.01 0.37 0.00 0.00 0.00 179.25 179.68 1x1j h GLN 62 N 0.48 0.04 -0.78 0.00 4.15 -1.02 -0.94 115.11 117.05 1x1j h GLN 62 Ca 0.29 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.74 1x1j h GLN 62 Cb 0.51 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.15 1x1j h GLN 62 CO -0.09 0.43 0.48 -0.44 -1.93 0.00 0.00 178.83 177.28 1x1j h ASP 63 N -0.35 0.76 0.02 -0.69 5.19 -0.96 0.17 116.42 120.56 1x1j h ASP 63 Ca 0.00 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1x1j h ASP 63 Cb 0.42 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1x1j h ASP 63 CO 0.00 0.51 -0.01 0.00 -3.12 0.00 0.00 179.24 176.62 1x1j h ALA 64 N 1.35 -0.02 -0.72 3.45 0.00 -1.25 -1.78 119.26 120.29 1x1j h ALA 64 Ca 0.33 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1x1j h ALA 64 Cb 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1x1j h ALA 64 CO -0.14 -0.47 0.44 -0.91 0.00 0.00 0.00 179.25 178.16 1x1j h ASN 65 N -0.10 0.70 -0.85 0.00 2.35 -0.62 1.00 115.58 118.05 1x1j h ASN 65 Ca -0.00 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1x1j h ASN 65 Cb 0.10 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1x1j h ASN 65 CO 0.00 0.47 0.55 0.44 -1.65 0.00 0.00 177.43 177.24 1x1j h ASP 66 N 0.83 0.93 0.01 5.81 5.19 -0.43 -0.38 116.42 128.38 1x1j h ASP 66 Ca 0.30 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1x1j h ASP 66 Cb 0.09 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1x1j h ASP 66 CO -0.14 0.65 -0.00 1.88 -3.12 0.00 0.00 179.24 178.51 1x1j h TYR 67 N 1.09 -0.01 -0.82 4.55 0.05 -0.74 -3.16 116.97 117.93 1x1j h TYR 67 Ca 0.33 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.24 1x1j h TYR 67 Cb -0.04 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.62 1x1j h TYR 67 CO -0.02 0.59 0.42 2.35 -1.05 0.00 0.00 178.16 180.46 1x1j h TRP 68 N -0.63 0.75 0.00 4.88 7.01 -0.66 0.21 115.95 127.51 1x1j h TRP 68 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1x1j h TRP 68 Cb 0.61 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 1x1j h TRP 68 CO 0.14 0.21 0.00 1.05 -2.79 0.00 0.00 178.44 177.05 1x1j h GLU 69 N 0.64 0.00 -0.01 2.65 4.11 -1.12 -2.72 114.58 118.13 1x1j h GLU 69 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1x1j h GLU 69 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1x1j h GLU 69 CO -0.33 0.00 -0.71 -0.25 0.07 0.00 0.00 179.01 177.78 1x1j n ASP 70 N -2.48 1.37 -4.75 3.06 10.43 -0.01 -4.99 116.55 119.19 1x1j n ASP 70 Ca 0.02 -1.19 -0.38 0.00 2.57 0.00 0.00 54.79 55.81 1x1j n ASP 70 Cb 0.24 0.77 0.03 0.00 1.84 0.00 0.00 41.12 44.00 1x1j n ASP 70 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1x1j s MET 71 N -2.62 3.24 -0.49 -1.24 -1.94 -0.76 -4.75 119.30 110.73 1x1j s MET 71 Ca 0.12 2.15 -0.19 0.00 -1.71 0.00 0.00 55.69 56.06 1x1j s MET 71 Cb 0.16 -2.27 0.06 0.00 2.01 0.00 0.00 34.83 34.78 1x1j s MET 71 CO 0.68 -1.08 0.58 0.34 -0.01 0.00 0.00 175.02 175.54 1x1j s ASP 72 N -1.04 6.22 0.00 3.03 3.68 -0.61 -4.92 116.67 123.03 1x1j s ASP 72 Ca 0.70 -0.92 0.21 0.00 2.13 0.00 0.00 52.55 54.67 1x1j s ASP 72 Cb -0.38 -2.27 0.75 0.00 -1.45 0.00 0.00 42.92 39.57 1x1j s ASP 72 CO 0.45 -0.83 1.55 0.18 0.13 0.00 0.00 175.17 176.65 1x1j n LEU 73 N 6.01 1.67 -4.73 -1.34 7.99 -1.26 -4.82 117.00 120.52 1x1j n LEU 73 Ca -0.07 -0.70 -0.42 0.00 -0.01 0.00 0.00 56.01 54.82 1x1j n LEU 73 Cb 0.45 -0.10 -0.03 0.00 -0.11 0.00 0.00 43.42 43.63 1x1j n LEU 73 CO 0.52 0.35 0.98 -0.94 -1.51 0.00 0.00 177.39 176.80 1x1j s SER 74 N -1.57 6.91 0.66 -1.43 1.04 -1.26 -4.88 113.70 113.16 1x1j s SER 74 Ca 0.32 2.35 0.39 0.00 0.48 0.00 0.00 55.95 59.49 1x1j s SER 74 Cb 0.17 -2.60 2.14 0.00 0.10 0.00 0.00 66.02 65.83 1x1j s SER 74 CO 0.26 -0.53 2.20 0.77 0.98 0.00 0.00 173.24 176.92 1x1j h SER 75 N 5.73 0.00 -0.37 7.02 4.64 -2.02 0.13 113.55 128.68 1x1j h SER 75 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1x1j h SER 75 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1x1j h SER 75 CO 0.79 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 176.51 1x1j n SER 76 N -2.99 3.20 -4.41 4.97 2.88 -1.26 -5.00 113.62 111.02 1x1j n SER 76 Ca -0.03 -1.96 -0.37 0.00 -1.33 0.00 0.00 58.87 55.18 1x1j n SER 76 Cb 0.17 -0.24 0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1x1j n SER 76 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1x1j n ARG 77 N 1.32 0.33 -0.15 -1.46 1.85 0.46 -4.90 116.66 114.10 1x1j n ARG 77 Ca 0.19 0.14 0.05 0.00 -1.00 0.00 0.00 57.85 57.23 1x1j n ARG 77 Cb 0.56 -1.59 0.13 0.00 -1.05 0.00 0.00 32.46 30.52 1x1j n ARG 77 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1x1j n THR 78 N -1.93 0.96 -3.61 8.89 -2.24 -1.26 -5.01 114.28 110.09 1x1j n THR 78 Ca 0.10 -0.98 -0.03 0.00 -2.27 0.00 0.00 64.05 60.87 1x1j n THR 78 Cb 0.49 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 1x1j n THR 78 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1x1j s TYR 79 N -0.99 -0.09 -0.16 4.78 -0.85 -1.26 -4.83 117.35 113.95 1x1j s TYR 79 Ca 0.20 0.04 -0.24 0.00 -0.52 0.00 0.00 57.07 56.55 1x1j s TYR 79 Cb 0.11 0.52 -0.23 0.00 0.38 0.00 0.00 41.96 42.73 1x1j s TYR 79 CO 0.14 -0.17 0.51 0.82 -1.52 0.00 0.00 175.55 175.33 1x1j h ILE 80 N 2.00 1.32 -3.56 -3.49 1.08 -1.92 -3.42 117.51 109.53 1x1j h ILE 80 Ca -0.12 -2.29 -0.53 0.00 -0.39 0.00 0.00 64.86 61.53 1x1j h ILE 80 Cb 1.16 2.81 -0.33 0.00 -3.07 0.00 0.00 36.82 37.40 1x1j h ILE 80 CO 0.23 0.50 -0.82 0.26 -0.69 0.00 0.00 178.15 177.63 1x1j s TRP 81 N -2.32 1.57 0.24 1.37 0.51 -1.26 -1.58 118.94 117.48 1x1j s TRP 81 Ca -0.23 -0.54 -0.06 0.00 -2.12 0.00 0.00 56.10 53.14 1x1j s TRP 81 Cb 0.02 -1.11 0.27 0.00 -0.81 0.00 0.00 33.47 31.84 1x1j s TRP 81 CO 0.66 -0.25 1.91 -0.92 -0.51 0.00 0.00 176.95 177.84 1x1j h TYR 82 N 6.73 1.18 0.00 -1.98 3.20 -1.89 -1.56 116.97 122.64 1x1j h TYR 82 Ca -0.30 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1x1j h TYR 82 Cb 1.19 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1x1j h TYR 82 CO 0.47 0.71 0.00 0.00 -1.64 0.00 0.00 178.16 177.70 1x1j n ALA 83 N -2.36 2.11 -2.16 1.82 0.00 -1.26 -2.75 120.51 115.91 1x1j n ALA 83 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1x1j n ALA 83 Cb 0.05 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.28 1x1j n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x1j n LEU 84 N -0.92 0.33 -4.75 0.00 4.77 -0.63 -5.09 117.00 110.70 1x1j n LEU 84 Ca 0.11 -1.33 -0.31 0.00 -0.03 0.00 0.00 56.01 54.44 1x1j n LEU 84 Cb 0.05 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 1x1j n LEU 84 CO 0.08 0.34 0.70 0.00 -1.33 0.00 0.00 177.39 177.18 1x1j s ARG 85 N 0.00 2.06 0.00 3.23 1.70 -0.94 -4.59 118.95 120.41 1x1j s ARG 85 Ca 0.11 1.25 0.00 0.00 -0.47 0.00 0.00 55.73 56.62 1x1j s ARG 85 Cb 0.13 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.64 1x1j s ARG 85 CO -0.06 -1.81 0.00 0.41 -1.08 0.00 0.00 175.30 172.77 1x1j n GLY 86 N -0.93 0.87 0.00 3.88 0.00 -1.26 -4.90 105.19 102.85 1x1j n GLY 86 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1x1j n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1j n ASN 87 N 0.00 0.00 -0.23 1.61 3.02 -1.26 -1.29 115.26 117.11 1x1j n ASN 87 Ca 0.00 0.32 0.05 0.00 -0.03 0.00 0.00 54.58 54.92 1x1j n ASN 87 Cb 0.00 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1x1j n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x1j n GLY 88 N -1.31 -0.17 3.44 7.41 0.00 -1.26 -4.71 105.19 108.59 1x1j n GLY 88 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1x1j n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1j s THR 89 N -1.32 4.48 0.28 2.61 2.01 -0.41 -4.91 115.64 118.38 1x1j s THR 89 Ca 0.08 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1x1j s THR 89 Cb 0.08 -4.67 0.30 0.00 0.01 0.00 0.00 72.50 68.22 1x1j s THR 89 CO 0.24 -1.41 1.66 0.77 -0.69 0.00 0.00 174.62 175.19 1x1j h SER 90 N 9.37 0.05 -0.21 3.53 4.64 -1.86 0.79 113.55 129.87 1x1j h SER 90 Ca -0.21 0.19 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1x1j h SER 90 Cb 1.06 0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 1x1j h SER 90 CO 1.16 -0.12 -0.14 0.44 -0.87 0.00 0.00 176.83 177.29 1x1j h ASP 91 N 0.24 -0.47 -0.13 4.97 5.19 -1.91 0.74 116.42 125.06 1x1j h ASP 91 Ca 0.54 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 57.03 1x1j h ASP 91 Cb 1.07 0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 1x1j h ASP 91 CO -0.62 -0.18 -0.00 0.78 -3.12 0.00 0.00 179.24 176.09 1x1j h ASN 92 N -0.14 0.23 -0.53 6.45 -0.26 -1.25 -2.26 115.58 117.82 1x1j h ASN 92 Ca 0.12 -0.31 0.03 0.00 -0.56 0.00 0.00 56.30 55.57 1x1j h ASN 92 Cb 0.32 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.48 1x1j h ASN 92 CO -0.30 0.49 0.31 0.58 -1.06 0.00 0.00 177.43 177.45 1x1j h VAL 93 N -0.03 1.04 -0.99 2.81 2.07 -0.90 0.14 116.25 120.39 1x1j h VAL 93 Ca 0.04 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1x1j h VAL 93 Cb 0.37 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1x1j h VAL 93 CO 0.01 0.11 0.64 -1.13 0.02 0.00 0.00 177.57 177.22 1x1j h ASN 94 N 0.61 1.02 -0.33 0.57 -0.73 -0.81 -0.67 115.58 115.25 1x1j h ASN 94 Ca 0.22 0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.28 1x1j h ASN 94 Cb 0.04 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 1x1j h ASN 94 CO -0.10 0.66 -0.19 0.00 -0.37 0.00 0.00 177.43 177.42 1x1j h ALA 95 N 1.46 0.88 -0.58 1.57 0.00 -0.64 -1.47 119.26 120.48 1x1j h ALA 95 Ca 0.42 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1x1j h ALA 95 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1x1j h ALA 95 CO -0.16 0.63 0.20 0.28 0.00 0.00 0.00 179.25 180.20 1x1j h VAL 96 N 0.70 1.23 -0.32 0.00 2.07 0.50 -1.41 116.25 119.03 1x1j h VAL 96 Ca 0.10 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 1x1j h VAL 96 Cb 0.71 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1x1j h VAL 96 CO 0.05 0.29 -0.30 1.88 0.02 0.00 0.00 177.57 179.52 1x1j h TYR 97 N 0.81 0.79 -0.01 1.57 -1.99 -1.00 -2.19 116.97 114.95 1x1j h TYR 97 Ca 0.19 -0.20 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1x1j h TYR 97 Cb 0.25 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1x1j h TYR 97 CO 0.01 0.90 -0.04 0.93 -0.00 0.00 0.00 178.16 179.96 1x1j h GLU 98 N 0.58 -0.07 -0.34 4.88 5.08 -0.88 0.35 114.58 124.17 1x1j h GLU 98 Ca 0.07 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1x1j h GLU 98 Cb 0.80 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1x1j h GLU 98 CO 0.07 -0.05 0.04 0.00 -1.00 0.00 0.00 179.01 178.07 1x1j h ARG 99 N -0.07 0.15 -0.09 2.33 3.08 -1.14 0.14 114.38 118.77 1x1j h ARG 99 Ca 0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1x1j h ARG 99 Cb 0.10 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1x1j h ARG 99 CO -0.05 0.10 0.05 -0.07 -1.07 0.00 0.00 179.97 178.92 1x1j h LEU 100 N 0.15 0.10 -0.20 3.04 3.38 -1.09 0.62 115.31 121.32 1x1j h LEU 100 Ca 0.16 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1x1j h LEU 100 Cb 0.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x1j h LEU 100 CO -0.24 0.08 -0.28 -0.09 0.09 0.00 0.00 178.44 178.01 1x1j h ARG 101 N 0.12 0.55 -0.60 1.13 2.43 0.11 -1.58 114.38 116.54 1x1j h ARG 101 Ca 0.03 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1x1j h ARG 101 Cb 0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1x1j h ARG 101 CO -0.01 0.92 0.40 1.15 -1.51 0.00 0.00 179.97 180.92 1x1j h THR 102 N 0.22 1.15 -0.67 0.20 2.02 0.35 -1.63 112.91 114.55 1x1j h THR 102 Ca 0.02 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1x1j h THR 102 Cb 0.86 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1x1j h THR 102 CO 0.07 0.15 0.41 0.24 0.37 0.00 0.00 175.52 176.75 1x1j h MET 103 N 0.81 0.91 -0.58 6.66 2.86 -0.85 -1.73 114.93 123.00 1x1j h MET 103 Ca 0.22 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1x1j h MET 103 Cb -0.09 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.35 1x1j h MET 103 CO -0.05 0.64 0.30 0.00 1.06 0.00 0.00 176.91 178.86 1x1j h ALA 104 N 1.22 0.75 -0.05 6.32 0.00 -0.84 -1.26 119.26 125.40 1x1j h ALA 104 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x1j h ALA 104 Cb -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1x1j h ALA 104 CO -0.05 0.29 0.03 -0.07 0.00 0.00 0.00 179.25 179.46 1x1j h LEU 105 N 0.79 0.06 -2.03 0.00 3.38 -0.99 -1.20 115.31 115.32 1x1j h LEU 105 Ca 0.20 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1x1j h LEU 105 Cb 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1x1j h LEU 105 CO -0.03 0.05 0.07 0.00 0.09 0.00 0.00 178.44 178.62 1x1j h ALA 106 N 1.01 2.05 -0.00 1.53 0.00 -1.10 0.23 119.26 122.98 1x1j h ALA 106 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x1j h ALA 106 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x1j h ALA 106 CO -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 179.25 179.00 1x1j n ALA 107 N -2.54 2.67 -0.43 0.00 0.00 -0.49 -2.77 120.51 116.95 1x1j n ALA 107 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1x1j n ALA 107 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1x1j n ALA 107 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x1j n THR 108 N -1.42 0.10 -3.35 0.00 -2.24 0.02 -0.65 114.28 106.75 1x1j n THR 108 Ca 0.08 -0.34 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 1x1j n THR 108 Cb 0.32 1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 1x1j n THR 108 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1j s THR 109 N -0.10 5.12 0.17 4.28 2.01 0.59 -4.95 115.64 122.75 1x1j s THR 109 Ca 0.00 0.19 -0.33 0.00 0.31 0.00 0.00 61.69 61.86 1x1j s THR 109 Cb 0.00 -3.86 -0.15 0.00 0.01 0.00 0.00 72.50 68.50 1x1j s THR 109 CO 0.00 -0.11 1.25 0.52 -0.69 0.00 0.00 174.62 175.59 1x1j n VAL 110 N 5.29 0.75 0.00 3.82 0.31 -1.26 -1.00 118.33 126.23 1x1j n VAL 110 Ca -0.08 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1x1j n VAL 110 Cb 0.49 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1x1j n VAL 110 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x1j n GLY 111 N 2.17 3.31 3.77 2.92 0.00 -1.26 -4.84 105.19 111.26 1x1j n GLY 111 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1x1j n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1j s SER 112 N -0.57 5.91 0.00 1.61 0.15 -0.17 -4.90 113.70 115.73 1x1j s SER 112 Ca 0.00 2.28 0.07 0.00 0.70 0.00 0.00 55.95 59.00 1x1j s SER 112 Cb 0.00 -2.60 0.41 0.00 -1.71 0.00 0.00 66.02 62.12 1x1j s SER 112 CO 0.00 -1.09 1.24 -1.54 1.20 0.00 0.00 173.24 173.05 1x1j n SER 113 N -0.87 0.00 0.00 5.45 3.41 -1.26 -2.69 113.62 117.66 1x1j n SER 113 Ca 0.09 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1x1j n SER 113 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1x1j n SER 113 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x1j n LEU 114 N -0.61 0.64 -4.60 1.04 4.77 -1.26 -5.01 117.00 111.97 1x1j n LEU 114 Ca 0.05 -0.69 -0.51 0.00 -0.03 0.00 0.00 56.01 54.83 1x1j n LEU 114 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1x1j n LEU 114 CO 0.04 0.16 0.93 0.00 -1.33 0.00 0.00 177.39 177.19 1x1j n TYR 115 N -0.11 1.62 -0.80 -1.77 9.36 -1.10 -1.45 117.16 122.91 1x1j n TYR 115 Ca 0.00 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.80 1x1j n TYR 115 Cb 0.05 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.40 1x1j n TYR 115 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x1j n GLY 116 N 2.61 0.19 3.56 2.98 0.00 0.18 -4.92 105.19 109.80 1x1j n GLY 116 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1x1j n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x1j s ASN 117 N -2.13 5.10 0.22 1.61 3.84 -0.53 -4.85 114.94 118.20 1x1j s ASN 117 Ca 0.00 0.77 -0.08 0.00 0.21 0.00 0.00 52.86 53.76 1x1j s ASN 117 Cb 0.00 -2.52 0.34 0.00 -0.55 0.00 0.00 41.25 38.52 1x1j s ASN 117 CO 0.00 -2.43 1.70 0.00 -2.79 0.00 0.00 177.10 173.58 1x1j h ALA 118 N 16.14 0.79 -0.59 1.71 0.00 -1.91 -2.08 119.26 133.32 1x1j h ALA 118 Ca -0.27 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1x1j h ALA 118 Cb 1.20 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1x1j h ALA 118 CO 1.16 -0.31 0.24 -0.44 0.00 0.00 0.00 179.25 179.91 1x1j h ASP 119 N 0.27 0.26 0.02 0.00 3.32 -1.99 0.05 116.42 118.34 1x1j h ASP 119 Ca 0.35 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 1x1j h ASP 119 Cb 0.53 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1x1j h ASP 119 CO -0.43 0.16 -0.01 0.25 -1.72 0.00 0.00 179.24 177.49 1x1j h LEU 120 N 0.43 -0.02 -0.43 1.55 5.85 -1.79 -0.48 115.31 120.43 1x1j h LEU 120 Ca 0.29 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1x1j h LEU 120 Cb 0.33 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1x1j h LEU 120 CO -0.28 0.04 -0.07 0.11 -0.34 0.00 0.00 178.44 177.90 1x1j h LYS 121 N -0.08 0.03 -0.64 1.25 1.57 -0.77 -0.88 116.57 117.04 1x1j h LYS 121 Ca -0.00 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1x1j h LYS 121 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1x1j h LYS 121 CO 0.00 0.02 0.09 1.49 -0.57 0.00 0.00 179.45 180.48 1x1j h GLU 122 N 0.03 1.07 -0.18 3.15 4.57 -0.82 -1.73 114.58 120.68 1x1j h GLU 122 Ca 0.21 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1x1j h GLU 122 Cb 0.31 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1x1j h GLU 122 CO -0.41 1.00 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.93 1x1j h ASP 123 N 0.99 0.24 -0.07 1.04 3.45 -0.42 -0.04 116.42 121.60 1x1j h ASP 123 Ca 0.19 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 1x1j h ASP 123 Cb 0.46 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1x1j h ASP 123 CO 0.02 0.33 -0.12 0.40 -1.57 0.00 0.00 179.24 178.30 1x1j h ILE 124 N 0.26 1.40 -0.47 0.35 2.04 -0.79 -2.44 117.51 117.85 1x1j h ILE 124 Ca 0.06 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 1x1j h ILE 124 Cb 0.26 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1x1j h ILE 124 CO 0.01 0.38 0.13 -0.07 0.00 0.00 0.00 178.15 178.60 1x1j h LEU 125 N -0.26 0.63 -0.95 1.44 3.38 -0.98 -1.48 115.31 117.09 1x1j h LEU 125 Ca 0.01 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1x1j h LEU 125 Cb 0.67 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1x1j h LEU 125 CO 0.03 0.62 -0.16 0.44 0.09 0.00 0.00 178.44 179.46 1x1j h ASP 126 N 0.68 0.58 -0.13 -0.43 3.32 -1.00 -2.07 116.42 117.36 1x1j h ASP 126 Ca 0.16 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1x1j h ASP 126 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1x1j h ASP 126 CO -0.01 0.76 0.05 0.00 -1.72 0.00 0.00 179.24 178.32 1x1j h ALA 127 N 1.30 0.17 -0.80 3.45 0.00 -0.83 -0.18 119.26 122.37 1x1j h ALA 127 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1x1j h ALA 127 Cb 0.58 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1x1j h ALA 127 CO 0.04 -0.23 0.53 -0.07 0.00 0.00 0.00 179.25 179.51 1x1j h LEU 128 N 0.05 0.78 -0.24 0.00 3.38 -1.07 0.82 115.31 119.04 1x1j h LEU 128 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1x1j h LEU 128 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x1j h LEU 128 CO -0.00 0.51 -0.09 0.44 0.09 0.00 0.00 178.44 179.39 1x1j h ASP 129 N 0.89 0.49 -0.57 -0.43 3.32 -0.98 0.72 116.42 119.86 1x1j h ASP 129 Ca 0.34 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1x1j h ASP 129 Cb 0.21 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1x1j h ASP 129 CO -0.12 0.77 0.35 -0.25 -1.72 0.00 0.00 179.24 178.27 1x1j h TRP 130 N 0.21 0.66 -0.46 4.55 7.01 -0.18 -0.91 115.95 126.82 1x1j h TRP 130 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1x1j h TRP 130 Cb 0.57 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 1x1j h TRP 130 CO 0.06 0.38 0.20 -0.07 -2.79 0.00 0.00 178.44 176.22 1x1j h LEU 131 N 0.70 0.62 -0.47 0.65 3.38 -0.72 0.16 115.31 119.62 1x1j h LEU 131 Ca 0.23 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1x1j h LEU 131 Cb 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1x1j h LEU 131 CO -0.09 0.60 0.18 0.22 0.09 0.00 0.00 178.44 179.44 1x1j h TYR 132 N 0.60 0.33 -0.24 1.13 3.20 -0.32 1.14 116.97 122.80 1x1j h TYR 132 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1x1j h TYR 132 Cb 0.16 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1x1j h TYR 132 CO -0.00 0.12 -0.14 0.28 -1.64 0.00 0.00 178.16 176.78 1x1j h VAL 133 N 0.37 1.31 0.00 1.81 2.07 -0.86 -3.37 116.25 117.58 1x1j h VAL 133 Ca 0.22 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1x1j h VAL 133 Cb 0.21 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1x1j h VAL 133 CO -0.21 0.39 -0.87 0.59 0.02 0.00 0.00 177.57 177.48 1x1j n ASN 134 N -4.46 0.85 0.11 0.57 4.13 0.55 -4.93 115.26 112.08 1x1j n ASN 134 Ca -0.04 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.30 1x1j n ASN 134 Cb 0.37 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.62 1x1j n ASN 134 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1x1j n SER 135 N -1.44 -0.58 -4.33 6.41 2.88 0.35 -4.82 113.62 112.09 1x1j n SER 135 Ca 0.03 0.39 -0.46 0.00 -1.33 0.00 0.00 58.87 57.50 1x1j n SER 135 Cb 0.29 0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 64.41 1x1j n SER 135 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1x1j s TYR 136 N -2.00 3.38 0.26 0.66 6.04 0.95 -4.90 117.35 121.73 1x1j s TYR 136 Ca 0.00 -1.48 -0.19 0.00 0.04 0.00 0.00 57.07 55.44 1x1j s TYR 136 Cb 0.00 -3.86 0.02 0.00 -1.04 0.00 0.00 41.96 37.07 1x1j s TYR 136 CO 0.00 -1.07 0.64 0.54 -1.54 0.00 0.00 175.55 174.12 1x1j s ASN 137 N 3.13 -0.22 0.00 4.32 4.22 -1.26 -4.12 114.94 121.01 1x1j s ASN 137 Ca 0.11 -0.67 0.00 0.00 -2.14 0.00 0.00 52.86 50.15 1x1j s ASN 137 Cb -0.21 0.68 0.00 0.00 1.28 0.00 0.00 41.25 43.00 1x1j s ASN 137 CO -0.01 -1.27 0.43 -1.54 -2.04 0.00 0.00 177.10 172.67 1x1j n SER 138 N -0.43 0.11 0.00 3.54 3.41 -1.26 -2.57 113.62 116.42 1x1j n SER 138 Ca -0.04 -0.97 0.11 0.00 -0.26 0.00 0.00 58.87 57.71 1x1j n SER 138 Cb 0.60 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.57 1x1j n SER 138 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x1j n THR 139 N -0.33 0.02 -2.91 6.66 -2.24 -1.26 -4.92 114.28 109.29 1x1j n THR 139 Ca 0.00 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.48 1x1j n THR 139 Cb 0.03 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1x1j n THR 139 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x1j s ARG 140 N -3.02 3.58 0.27 -0.78 0.52 -1.06 -5.06 118.95 113.40 1x1j s ARG 140 Ca 0.09 0.11 -0.29 0.00 -0.52 0.00 0.00 55.73 55.11 1x1j s ARG 140 Cb 0.17 -2.47 -0.09 0.00 0.52 0.00 0.00 34.95 33.07 1x1j s ARG 140 CO 0.78 -0.05 1.10 0.45 0.02 0.00 0.00 175.30 177.59 1x1j s SER 141 N -3.83 7.28 0.38 0.23 0.15 -1.26 -4.93 113.70 111.72 1x1j s SER 141 Ca 0.46 2.26 0.20 0.00 0.70 0.00 0.00 55.95 59.57 1x1j s SER 141 Cb -0.10 -2.63 0.66 0.00 -1.71 0.00 0.00 66.02 62.24 1x1j s SER 141 CO 0.39 -0.14 1.72 0.03 1.20 0.00 0.00 173.24 176.44 1x1j h ARG 142 N 3.88 0.00 -0.46 5.44 3.08 -1.96 -3.23 114.38 121.14 1x1j h ARG 142 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1x1j h ARG 142 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1x1j h ARG 142 CO 0.67 0.33 0.00 -1.13 -1.07 0.00 0.00 179.97 178.77 1x1j n SER 143 N -3.41 3.80 -4.77 7.04 3.41 -1.26 -4.69 113.62 113.74 1x1j n SER 143 Ca 0.00 -2.35 -0.37 0.00 -0.26 0.00 0.00 58.87 55.89 1x1j n SER 143 Cb 0.52 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1x1j n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x1j s ALA 144 N -1.64 2.97 0.15 7.33 0.00 -1.22 -4.48 121.76 124.87 1x1j s ALA 144 Ca 0.38 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 1x1j s ALA 144 Cb 0.24 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 1x1j s ALA 144 CO 0.19 -0.70 1.71 -0.47 0.00 0.00 0.00 175.76 176.49 1x1j s TYR 145 N -1.52 2.63 -0.28 0.00 5.04 -1.26 -0.85 117.35 121.11 1x1j s TYR 145 Ca 0.64 0.28 -0.09 0.00 -2.44 0.00 0.00 57.07 55.46 1x1j s TYR 145 Cb -0.29 -4.08 -0.03 0.00 0.35 0.00 0.00 41.96 37.91 1x1j s TYR 145 CO 0.36 -4.24 0.13 1.21 -1.34 0.00 0.00 175.55 171.67 1x1j s ASN 146 N 1.82 5.53 0.41 4.32 3.04 -1.26 -4.30 114.94 124.51 1x1j s ASN 146 Ca 0.76 -0.26 0.22 0.00 0.04 0.00 0.00 52.86 53.62 1x1j s ASN 146 Cb -0.46 -2.01 1.21 0.00 -1.54 0.00 0.00 41.25 38.45 1x1j s ASN 146 CO 0.33 -0.09 1.73 4.11 -3.04 0.00 0.00 177.10 180.14 1x1j h TRP 147 N 8.32 0.60 -0.87 0.43 5.08 -1.22 -0.51 115.95 127.78 1x1j h TRP 147 Ca -0.35 0.02 0.08 0.00 1.08 0.00 0.00 58.89 59.72 1x1j h TRP 147 Cb 1.17 -0.17 -0.07 0.00 -3.00 0.00 0.00 29.16 27.10 1x1j h TRP 147 CO 0.69 -0.02 0.53 2.35 -1.28 0.00 0.00 178.44 180.70 1x1j h TRP 148 N 0.29 0.96 -0.14 0.12 7.01 -1.91 0.15 115.95 122.44 1x1j h TRP 148 Ca 0.66 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.65 1x1j h TRP 148 Cb 1.83 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 28.58 1x1j h TRP 148 CO -0.00 0.45 -0.06 0.45 -2.79 0.00 0.00 178.44 176.48 1x1j h HIS 149 N 0.92 0.33 -0.69 2.65 3.86 -1.46 0.50 115.15 121.25 1x1j h HIS 149 Ca 0.40 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.46 1x1j h HIS 149 Cb 0.27 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1x1j h HIS 149 CO -0.04 0.61 0.16 -1.49 0.86 0.00 0.00 177.93 178.02 1x1j h TRP 150 N -0.04 1.17 0.01 2.45 4.06 -1.38 0.25 115.95 122.48 1x1j h TRP 150 Ca 0.03 -0.14 -0.33 0.00 2.06 0.00 0.00 58.89 60.51 1x1j h TRP 150 Cb 0.51 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 1x1j h TRP 150 CO 0.06 0.96 -1.98 1.04 -3.56 0.00 0.00 178.44 174.96 1x1j n GLN 151 N -4.23 0.66 0.02 0.49 6.02 0.01 -4.55 117.38 115.81 1x1j n GLN 151 Ca 0.05 0.20 -0.01 0.00 -0.01 0.00 0.00 57.00 57.22 1x1j n GLN 151 Cb 0.27 -1.69 -0.00 0.00 1.02 0.00 0.00 30.24 29.83 1x1j n GLN 151 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x1j n LEU 152 N -3.01 0.97 -0.02 1.08 4.77 -0.01 -4.60 117.00 116.17 1x1j n LEU 152 Ca -0.25 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1x1j n LEU 152 Cb 1.08 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1x1j n LEU 152 CO 0.43 -0.53 0.74 1.23 -1.33 0.00 0.00 177.39 177.93 1x1j h GLY 153 N -0.10 -0.10 0.62 -0.72 0.00 -1.01 -1.03 103.07 100.73 1x1j h GLY 153 Ca -0.02 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1x1j h GLY 153 CO -0.01 -0.17 -0.06 -2.22 0.00 0.00 0.00 176.54 174.08 1x1j h ILE 154 N -0.21 1.36 -0.87 2.60 2.04 -0.75 -3.01 117.51 118.67 1x1j h ILE 154 Ca 0.11 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 64.88 1x1j h ILE 154 Cb 0.38 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 1x1j h ILE 154 CO -0.30 0.33 0.52 -0.65 0.00 0.00 0.00 178.15 178.05 1x1j h PRO 155 N -0.27 0.83 -0.68 2.37 0.11 -1.74 0.48 132.00 133.10 1x1j h PRO 155 Ca 0.01 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1x1j h PRO 155 Cb 0.56 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 1x1j h PRO 155 CO 0.01 0.55 0.45 0.52 -0.21 0.00 0.00 178.00 179.33 1x1j h MET 156 N 0.86 0.83 -0.01 1.05 2.86 -1.17 0.12 114.93 119.47 1x1j h MET 156 Ca 0.42 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.92 1x1j h MET 156 Cb 0.37 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.85 1x1j h MET 156 CO -0.24 0.55 -0.34 0.77 1.06 0.00 0.00 176.91 178.70 1x1j h SER 157 N 0.86 0.32 -0.74 1.22 0.02 -1.14 -3.02 113.55 111.07 1x1j h SER 157 Ca 0.26 -0.75 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1x1j h SER 157 Cb 0.00 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1x1j h SER 157 CO -0.07 1.03 0.35 0.25 -1.14 0.00 0.00 176.83 177.25 1x1j h LEU 158 N -0.35 0.98 -0.13 5.07 5.85 -0.64 -1.39 115.31 124.70 1x1j h LEU 158 Ca -0.04 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1x1j h LEU 158 Cb 1.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1x1j h LEU 158 CO 0.07 0.85 0.02 0.78 -0.34 0.00 0.00 178.44 179.81 1x1j h ASN 159 N 1.05 -0.01 -0.58 1.25 2.35 -0.86 0.55 115.58 119.33 1x1j h ASN 159 Ca 0.26 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 56.10 1x1j h ASN 159 Cb 0.13 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1x1j h ASN 159 CO -0.03 0.01 0.25 0.44 -1.65 0.00 0.00 177.43 176.45 1x1j h ASP 160 N 0.07 0.30 -0.08 5.81 3.32 -1.34 0.27 116.42 124.77 1x1j h ASP 160 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1x1j h ASP 160 Cb 0.06 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1x1j h ASP 160 CO -0.09 0.19 0.05 0.40 -1.72 0.00 0.00 179.24 178.08 1x1j h ILE 161 N 0.46 1.03 -0.95 0.35 5.03 -0.70 -1.12 117.51 121.61 1x1j h ILE 161 Ca 0.28 -0.06 0.09 0.00 -0.12 0.00 0.00 64.86 65.06 1x1j h ILE 161 Cb 0.29 0.92 -0.07 0.00 -3.03 0.00 0.00 36.82 34.93 1x1j h ILE 161 CO -0.25 0.03 0.61 0.00 -0.68 0.00 0.00 178.15 177.85 1x1j h ALA 162 N 1.02 1.55 -0.37 1.87 0.00 -0.14 -0.23 119.26 122.95 1x1j h ALA 162 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1x1j h ALA 162 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1x1j h ALA 162 CO -0.01 0.26 -0.20 0.28 0.00 0.00 0.00 179.25 179.58 1x1j h VAL 163 N 0.98 1.28 -0.02 0.00 2.07 -0.53 -0.63 116.25 119.40 1x1j h VAL 163 Ca 0.44 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1x1j h VAL 163 Cb 0.37 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1x1j h VAL 163 CO -0.20 0.44 -0.01 -0.07 0.02 0.00 0.00 177.57 177.76 1x1j h LEU 164 N 0.59 0.04 -3.61 2.57 3.38 -0.34 -3.16 115.31 114.77 1x1j h LEU 164 Ca 0.08 -0.38 -0.23 0.00 0.09 0.00 0.00 57.88 57.43 1x1j h LEU 164 Cb 0.76 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.36 1x1j h LEU 164 CO 0.06 0.42 0.30 0.18 0.09 0.00 0.00 178.44 179.48 1x1j n LEU 165 N -4.87 5.94 -0.15 1.67 4.77 -0.18 -4.68 117.00 119.50 1x1j n LEU 165 Ca -0.08 -3.10 -0.13 0.00 -0.03 0.00 0.00 56.01 52.68 1x1j n LEU 165 Cb 0.21 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1x1j n LEU 165 CO 0.34 0.80 0.52 0.22 -1.33 0.00 0.00 177.39 177.94 1x1j h TYR 166 N 2.38 -1.59 -0.81 -1.77 3.20 -1.07 -1.13 116.97 116.18 1x1j h TYR 166 Ca 0.29 0.08 0.18 0.00 3.14 0.00 0.00 58.73 62.42 1x1j h TYR 166 Cb 2.30 0.75 -0.05 0.00 1.54 0.00 0.00 36.73 41.27 1x1j h TYR 166 CO 1.25 -0.47 0.54 -0.44 -1.64 0.00 0.00 178.16 177.40 1x1j h ASP 167 N -0.36 0.35 -0.18 -2.11 3.32 -1.85 0.06 116.42 115.64 1x1j h ASP 167 Ca 0.10 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1x1j h ASP 167 Cb 0.59 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1x1j h ASP 167 CO -0.61 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 177.54 1x1j n ASP 168 N -4.47 1.93 -4.61 6.45 9.92 -0.50 -4.83 116.55 120.44 1x1j n ASP 168 Ca 0.16 -1.74 -0.38 0.00 -0.53 0.00 0.00 54.79 52.30 1x1j n ASP 168 Cb 0.63 -0.11 -0.10 0.00 -0.64 0.00 0.00 41.12 40.90 1x1j n ASP 168 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1x1j s ILE 169 N -1.77 5.28 0.81 0.53 1.01 0.00 -5.08 121.20 121.98 1x1j s ILE 169 Ca 0.33 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 1x1j s ILE 169 Cb 0.18 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 39.15 1x1j s ILE 169 CO 0.28 0.24 1.09 -0.94 0.00 0.00 0.00 174.94 175.61 1x1j s SER 170 N 1.57 4.30 0.09 3.58 1.04 -1.26 -4.82 113.70 118.21 1x1j s SER 170 Ca 0.10 1.46 -0.25 0.00 0.48 0.00 0.00 55.95 57.74 1x1j s SER 170 Cb -0.15 -2.20 -0.14 0.00 0.10 0.00 0.00 66.02 63.63 1x1j s SER 170 CO 0.09 -2.11 1.71 0.00 0.98 0.00 0.00 173.24 173.91 1x1j h ALA 171 N -1.18 -0.19 -0.85 5.32 0.00 -1.97 -1.30 119.26 119.07 1x1j h ALA 171 Ca -0.47 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 54.62 1x1j h ALA 171 Cb 1.26 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 1x1j h ALA 171 CO 0.57 -0.62 0.27 0.00 0.00 0.00 0.00 179.25 179.47 1x1j h ALA 172 N 0.66 1.24 -0.08 0.00 0.00 -2.00 -0.31 119.26 118.78 1x1j h ALA 172 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x1j h ALA 172 Cb 0.19 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x1j h ALA 172 CO -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 179.25 178.75 1x1j h ARG 173 N 0.29 0.21 -0.89 0.00 3.08 -1.86 -3.14 114.38 112.08 1x1j h ARG 173 Ca 0.52 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 60.53 1x1j h ARG 173 Cb 0.99 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 1x1j h ARG 173 CO -0.57 0.68 0.58 1.98 -1.07 0.00 0.00 179.97 181.57 1x1j h MET 174 N -0.25 0.90 -0.01 0.04 4.05 -0.33 -1.96 114.93 117.37 1x1j h MET 174 Ca 0.01 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1x1j h MET 174 Cb 0.66 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 1x1j h MET 174 CO 0.03 0.60 -0.13 0.00 0.23 0.00 0.00 176.91 177.63 1x1j h ALA 175 N 1.54 -0.14 -0.35 0.39 0.00 -1.08 0.16 119.26 119.78 1x1j h ALA 175 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1x1j h ALA 175 Cb 0.34 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1x1j h ALA 175 CO -0.17 -0.62 0.16 1.79 0.00 0.00 0.00 179.25 180.42 1x1j h THR 176 N -0.21 1.13 0.26 0.00 1.35 -1.33 0.38 112.91 114.49 1x1j h THR 176 Ca 0.05 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1x1j h THR 176 Cb 0.28 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1x1j h THR 176 CO -0.14 0.15 -0.12 1.88 -0.25 0.00 0.00 175.52 177.04 1x1j h TYR 177 N 0.49 -0.32 -0.65 4.73 0.99 -0.85 -3.15 116.97 118.22 1x1j h TYR 177 Ca 0.13 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1x1j h TYR 177 Cb 0.07 0.11 -0.03 0.00 1.00 0.00 0.00 36.73 37.87 1x1j h TYR 177 CO 0.00 -0.20 0.20 0.52 -0.00 0.00 0.00 178.16 178.68 1x1j h MET 178 N -0.95 0.99 -0.50 4.88 2.86 -0.68 -2.56 114.93 118.96 1x1j h MET 178 Ca -0.04 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1x1j h MET 178 Cb 0.26 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1x1j h MET 178 CO 0.06 0.85 0.19 -0.44 1.06 0.00 0.00 176.91 178.63 1x1j h ASP 179 N 0.95 0.65 -0.41 1.22 3.32 -0.38 -1.21 116.42 120.56 1x1j h ASP 179 Ca 0.21 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1x1j h ASP 179 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1x1j h ASP 179 CO -0.01 0.60 -0.16 0.74 -1.72 0.00 0.00 179.24 178.69 1x1j h THR 180 N 0.71 1.28 -0.49 0.35 2.02 -1.43 -2.17 112.91 113.18 1x1j h THR 180 Ca 0.17 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 1x1j h THR 180 Cb 0.15 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1x1j h THR 180 CO -0.02 0.43 0.18 0.40 0.37 0.00 0.00 175.52 176.88 1x1j h ILE 181 N 0.64 1.22 -0.43 3.11 2.04 -1.11 -2.06 117.51 120.92 1x1j h ILE 181 Ca 0.10 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1x1j h ILE 181 Cb 0.71 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1x1j h ILE 181 CO 0.05 0.26 0.29 -0.78 0.00 0.00 0.00 178.15 177.97 1x1j h ASP 182 N 0.66 0.50 0.07 1.72 -0.00 -1.11 0.18 116.42 118.44 1x1j h ASP 182 Ca 0.16 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.18 1x1j h ASP 182 Cb 0.23 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.44 1x1j h ASP 182 CO -0.01 0.36 -0.03 0.22 -0.00 0.00 0.00 179.24 179.78 1x1j h TYR 183 N 0.59 -0.09 -0.37 0.28 3.20 -0.90 -2.08 116.97 117.61 1x1j h TYR 183 Ca 0.16 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 1x1j h TYR 183 Cb -0.07 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1x1j h TYR 183 CO 0.00 0.20 -0.38 0.74 -1.64 0.00 0.00 178.16 177.08 1x1j h PHE 184 N -0.37 1.04 -2.17 -3.82 0.04 -0.87 -3.40 116.94 107.39 1x1j h PHE 184 Ca -0.01 -0.30 -0.54 0.00 2.80 0.00 0.00 57.97 59.92 1x1j h PHE 184 Cb 0.32 -0.22 -0.35 0.00 2.20 0.00 0.00 35.95 37.90 1x1j h PHE 184 CO 0.02 1.11 -0.93 2.41 -0.60 0.00 0.00 178.31 180.32 1x1j n THR 185 N -4.06 -1.06 0.24 -1.55 -1.04 0.59 -4.78 114.28 102.63 1x1j n THR 185 Ca -0.02 -3.16 0.13 0.00 -2.04 0.00 0.00 64.05 58.96 1x1j n THR 185 Cb 0.53 -1.34 0.25 0.00 -1.82 0.00 0.00 70.33 67.94 1x1j n THR 185 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1x1j h PRO 186 N 5.47 0.00 -3.90 -2.82 0.13 -1.55 -3.41 132.00 125.92 1x1j h PRO 186 Ca 0.23 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.18 1x1j h PRO 186 Cb 0.93 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.98 1x1j h PRO 186 CO 0.33 0.00 -0.15 -1.54 -0.23 0.00 0.00 178.00 176.42 1x1j s SER 187 N -6.08 0.48 -0.28 1.44 1.04 -1.26 -5.03 113.70 104.02 1x1j s SER 187 Ca 0.06 -1.28 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 1x1j s SER 187 Cb 0.06 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 1x1j s SER 187 CO 0.65 -1.26 0.09 -0.63 0.98 0.00 0.00 173.24 173.07 1x1j s ILE 188 N -3.33 4.25 0.00 -1.02 1.01 -1.26 -4.91 121.20 115.94 1x1j s ILE 188 Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1x1j s ILE 188 Cb -0.01 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1x1j s ILE 188 CO 0.16 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1x1j n GLY 189 N 4.92 1.00 0.00 6.18 0.00 -1.26 -5.04 105.19 110.99 1x1j n GLY 189 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1x1j n GLY 189 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x1j n LEU 190 N 0.00 0.00 -4.10 0.99 4.77 -1.26 -5.04 117.00 112.36 1x1j n LEU 190 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1x1j n LEU 190 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1x1j n LEU 190 CO 0.00 -0.00 -0.28 0.42 -1.33 0.00 0.00 177.39 176.19 1x1j s THR 191 N 0.00 0.14 0.00 -5.08 -4.23 -1.26 -4.57 115.64 100.64 1x1j s THR 191 Ca 0.00 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1x1j s THR 191 Cb 0.00 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1x1j s THR 191 CO 0.00 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1x1j n GLY 192 N -0.04 2.34 0.25 3.99 0.00 -0.62 -2.38 105.19 108.73 1x1j n GLY 192 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1x1j n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j h ALA 193 N -0.58 0.82 -0.38 4.61 0.00 -1.84 -1.21 119.26 120.69 1x1j h ALA 193 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1x1j h ALA 193 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1x1j h ALA 193 CO 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.09 1x1j h ALA 194 N 1.51 0.43 -0.41 0.00 0.00 -1.91 0.96 119.26 119.85 1x1j h ALA 194 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1x1j h ALA 194 Cb 0.53 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1x1j h ALA 194 CO -0.41 -0.27 0.26 -0.09 0.00 0.00 0.00 179.25 178.74 1x1j h ARG 195 N 0.27 0.54 -0.65 0.00 2.43 -0.91 0.01 114.38 116.07 1x1j h ARG 195 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1x1j h ARG 195 Cb 0.16 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1x1j h ARG 195 CO -0.19 0.37 0.33 0.00 -1.51 0.00 0.00 179.97 178.97 1x1j h ALA 196 N 1.14 0.83 -0.70 2.80 0.00 -0.84 0.36 119.26 122.85 1x1j h ALA 196 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1x1j h ALA 196 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1x1j h ALA 196 CO -0.03 0.38 0.27 -1.49 0.00 0.00 0.00 179.25 178.38 1x1j h TRP 197 N 0.89 1.05 -0.68 0.00 6.55 -0.38 -0.65 115.95 122.72 1x1j h TRP 197 Ca 0.22 -0.07 -0.08 0.00 0.95 0.00 0.00 58.89 59.91 1x1j h TRP 197 Cb 0.09 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 1x1j h TRP 197 CO -0.00 0.81 0.13 1.96 -1.05 0.00 0.00 178.44 180.29 1x1j h GLN 198 N 1.01 1.12 -0.68 0.49 4.20 -0.43 -1.24 115.11 119.58 1x1j h GLN 198 Ca 0.23 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1x1j h GLN 198 Cb 0.21 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1x1j h GLN 198 CO -0.02 1.01 0.32 0.00 -0.67 0.00 0.00 178.83 179.47 1x1j h ALA 199 N 1.06 0.88 0.00 3.87 0.00 -0.14 0.22 119.26 125.16 1x1j h ALA 199 Ca 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1x1j h ALA 199 Cb 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x1j h ALA 199 CO 0.01 0.46 -0.50 0.97 0.00 0.00 0.00 179.25 180.19 1x1j h ILE 200 N 0.95 1.03 0.06 0.00 6.09 -1.01 0.17 117.51 124.80 1x1j h ILE 200 Ca 0.23 -1.95 -0.00 0.00 -1.37 0.00 0.00 64.86 61.77 1x1j h ILE 200 Cb 0.14 2.17 0.00 0.00 0.47 0.00 0.00 36.82 39.60 1x1j h ILE 200 CO -0.03 0.49 -0.03 0.58 -3.07 0.00 0.00 178.15 176.09 1x1j h VAL 201 N 0.00 1.27 -0.61 2.19 2.07 -0.74 -2.10 116.25 118.33 1x1j h VAL 201 Ca -0.00 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 1x1j h VAL 201 Cb 1.13 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 1x1j h VAL 201 CO 0.06 0.33 0.21 0.58 0.02 0.00 0.00 177.57 178.77 1x1j h VAL 202 N -0.72 1.23 0.50 2.57 2.07 -0.56 -2.78 116.25 118.55 1x1j h VAL 202 Ca -0.01 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1x1j h VAL 202 Cb 0.60 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1x1j h VAL 202 CO 0.01 0.29 -0.24 1.23 0.02 0.00 0.00 177.57 178.89 1x1j h GLY 203 N 1.00 -0.70 1.41 2.17 0.00 -0.68 -1.21 103.07 105.07 1x1j h GLY 203 Ca 0.20 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1x1j h GLY 203 CO -0.01 -0.25 0.24 -2.08 0.00 0.00 0.00 176.54 174.44 1x1j h VAL 204 N -0.93 1.19 -0.64 4.60 2.07 -1.42 -0.71 116.25 120.41 1x1j h VAL 204 Ca -0.07 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1x1j h VAL 204 Cb 0.60 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1x1j h VAL 204 CO 0.11 0.23 0.09 -0.09 0.02 0.00 0.00 177.57 177.93 1x1j h ARG 205 N 0.77 1.05 -0.97 1.57 2.43 -1.52 -1.15 114.38 116.56 1x1j h ARG 205 Ca 0.19 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1x1j h ARG 205 Cb 0.11 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1x1j h ARG 205 CO -0.02 0.98 0.64 0.00 -1.51 0.00 0.00 179.97 180.05 1x1j h ALA 206 N 1.10 1.27 -0.47 2.80 0.00 0.10 0.95 119.26 125.01 1x1j h ALA 206 Ca 0.19 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1x1j h ALA 206 Cb 0.44 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x1j h ALA 206 CO 0.01 0.54 -0.20 0.28 0.00 0.00 0.00 179.25 179.89 1x1j h VAL 207 N 1.25 1.27 0.35 0.00 2.07 -0.78 0.29 116.25 120.70 1x1j h VAL 207 Ca 0.38 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1x1j h VAL 207 Cb -0.04 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1x1j h VAL 207 CO -0.11 0.46 -0.17 0.40 0.02 0.00 0.00 177.57 178.17 1x1j h ILE 208 N 0.82 0.66 -0.00 4.57 2.04 -0.22 -3.05 117.51 122.33 1x1j h ILE 208 Ca 0.11 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1x1j h ILE 208 Cb 0.76 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1x1j h ILE 208 CO 0.06 0.07 -0.05 1.33 0.00 0.00 0.00 178.15 179.57 1x1j n VAL 209 N -5.21 0.00 -3.30 1.67 0.24 0.23 -4.93 118.33 107.04 1x1j n VAL 209 Ca -0.10 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 1x1j n VAL 209 Cb 0.26 -0.26 0.08 0.00 -1.47 0.00 0.00 33.84 32.44 1x1j n VAL 209 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1x1j n LYS 210 N -0.98 -6.04 -3.39 7.34 5.02 0.72 -4.98 118.16 115.85 1x1j n LYS 210 Ca 0.17 0.75 -0.45 0.00 -2.02 0.00 0.00 58.31 56.76 1x1j n LYS 210 Cb 0.23 -5.49 -0.05 0.00 -0.02 0.00 0.00 35.03 29.70 1x1j n LYS 210 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x1j s ASP 211 N -4.07 6.21 0.49 4.39 -1.08 0.44 -4.94 116.67 118.11 1x1j s ASP 211 Ca 0.07 -2.17 0.14 0.00 -0.52 0.00 0.00 52.55 50.07 1x1j s ASP 211 Cb -0.03 -2.15 1.17 0.00 -1.46 0.00 0.00 42.92 40.45 1x1j s ASP 211 CO 0.65 -0.70 2.12 0.00 0.52 0.00 0.00 175.17 177.75 1x1j h ALA 212 N 8.33 1.95 0.38 3.66 0.00 -1.94 -0.62 119.26 131.01 1x1j h ALA 212 Ca -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1x1j h ALA 212 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1x1j h ALA 212 CO 0.89 0.04 -0.18 0.28 0.00 0.00 0.00 179.25 180.28 1x1j h VAL 213 N 0.14 0.58 -0.72 0.00 2.07 -1.97 -1.41 116.25 114.94 1x1j h VAL 213 Ca 0.05 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1x1j h VAL 213 Cb 0.03 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1x1j h VAL 213 CO -0.01 0.09 0.45 0.11 0.02 0.00 0.00 177.57 178.23 1x1j h LYS 214 N -0.82 0.84 -0.80 1.57 1.79 -1.89 -1.22 116.57 116.05 1x1j h LYS 214 Ca -0.05 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1x1j h LYS 214 Cb 0.53 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 1x1j h LYS 214 CO 0.08 0.55 0.52 1.25 -1.08 0.00 0.00 179.45 180.78 1x1j h LEU 215 N 0.86 0.82 -0.45 2.94 5.85 -1.06 0.77 115.31 125.05 1x1j h LEU 215 Ca 0.29 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.84 1x1j h LEU 215 Cb 0.04 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1x1j h LEU 215 CO -0.12 0.56 -0.52 0.00 -0.34 0.00 0.00 178.44 178.02 1x1j h ALA 216 N 1.54 0.62 -0.49 1.25 0.00 -0.47 -2.44 119.26 119.28 1x1j h ALA 216 Ca 0.32 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1x1j h ALA 216 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1x1j h ALA 216 CO -0.10 0.68 0.16 0.00 0.00 0.00 0.00 179.25 179.99 1x1j h ALA 217 N 0.87 1.36 -0.55 0.00 0.00 -0.06 -0.49 119.26 120.38 1x1j h ALA 217 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1x1j h ALA 217 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1x1j h ALA 217 CO 0.11 0.47 0.24 0.00 0.00 0.00 0.00 179.25 180.07 1x1j h ALA 218 N 1.47 0.71 -0.25 0.00 0.00 -0.60 0.12 119.26 120.70 1x1j h ALA 218 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x1j h ALA 218 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1x1j h ALA 218 CO -0.01 0.29 0.12 -0.09 0.00 0.00 0.00 179.25 179.56 1x1j h ARG 219 N 0.74 0.37 0.00 0.00 2.43 -0.91 -2.62 114.38 114.40 1x1j h ARG 219 Ca 0.19 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1x1j h ARG 219 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1x1j h ARG 219 CO -0.02 0.38 -0.19 -0.91 -1.51 0.00 0.00 179.97 177.72 1x1j h ASN 220 N 0.27 0.00 -0.83 -3.80 -0.26 -0.84 -2.82 115.58 107.30 1x1j h ASN 220 Ca 0.09 0.00 0.18 0.00 -0.56 0.00 0.00 56.30 56.01 1x1j h ASN 220 Cb 0.14 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.34 1x1j h ASN 220 CO -0.01 0.19 0.56 1.23 -1.06 0.00 0.00 177.43 178.34 1x1j h GLY 221 N 0.73 0.76 2.00 2.83 0.00 -0.57 -0.94 103.07 107.88 1x1j h GLY 221 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1x1j h GLY 221 CO 0.02 0.02 0.00 1.41 0.00 0.00 0.00 176.54 178.00 1x1j h LEU 222 N 0.39 0.00 -0.07 3.11 3.38 -1.59 -2.33 115.31 118.21 1x1j h LEU 222 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1x1j h LEU 222 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1x1j h LEU 222 CO -0.14 0.00 -0.24 -1.20 0.09 0.00 0.00 178.44 176.95 1x1j n SER 223 N -2.67 0.34 -4.64 -0.43 7.64 -0.36 -2.15 113.62 111.35 1x1j n SER 223 Ca 0.00 -0.08 -0.29 0.00 1.01 0.00 0.00 58.87 59.51 1x1j n SER 223 Cb 0.19 -0.08 0.16 0.00 -1.01 0.00 0.00 64.21 63.47 1x1j n SER 223 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1j s GLY 224 N -2.87 1.58 0.17 0.23 0.00 -0.88 -4.48 107.32 101.07 1x1j s GLY 224 Ca 0.16 -0.54 -0.33 0.00 0.00 0.00 0.00 44.72 44.01 1x1j s GLY 224 CO 0.59 0.07 1.19 2.41 0.00 0.00 0.00 173.10 177.36 1x1j n THR 225 N -4.00 0.85 -0.86 0.90 -1.04 -1.26 -2.16 114.28 106.70 1x1j n THR 225 Ca 0.07 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1x1j n THR 225 Cb 0.59 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1x1j n THR 225 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x1j n GLY 226 N 2.05 0.68 0.00 3.41 0.00 -1.26 -1.58 105.19 108.49 1x1j n GLY 226 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1x1j n GLY 226 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x1j n ILE 227 N -2.60 0.00 -0.10 -0.61 5.41 -0.92 -4.06 119.36 116.49 1x1j n ILE 227 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 1x1j n ILE 227 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 1x1j n ILE 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1x1j h PHE 228 N 0.00 -0.36 -3.35 1.39 0.04 -1.59 -3.43 116.94 109.64 1x1j h PHE 228 Ca 0.00 0.04 -0.53 0.00 2.80 0.00 0.00 57.97 60.28 1x1j h PHE 228 Cb 0.00 0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.37 1x1j h PHE 228 CO 0.00 -0.23 0.54 -1.25 -0.60 0.00 0.00 178.31 176.78 1x1j s PRO 229 N -6.17 4.48 0.47 1.51 0.04 -1.26 -4.76 135.00 129.31 1x1j s PRO 229 Ca -0.14 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 1x1j s PRO 229 Cb 0.14 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.30 1x1j s PRO 229 CO 0.70 -0.14 1.41 0.71 0.04 0.00 0.00 177.00 179.72 1x1j s TYR 230 N 0.47 2.43 0.06 0.56 1.51 -1.26 -4.48 117.35 116.63 1x1j s TYR 230 Ca 0.55 1.29 -0.07 0.00 -1.01 0.00 0.00 57.07 57.84 1x1j s TYR 230 Cb -0.30 -3.88 -0.05 0.00 -0.11 0.00 0.00 41.96 37.61 1x1j s TYR 230 CO 0.33 -2.90 0.32 0.00 -1.11 0.00 0.00 175.55 172.19 1x1j s ALA 231 N -1.23 3.81 -0.64 3.71 0.00 0.38 -4.96 121.76 122.83 1x1j s ALA 231 Ca 0.63 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1x1j s ALA 231 Cb -0.43 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 20.64 1x1j s ALA 231 CO 0.54 0.64 0.77 0.25 0.00 0.00 0.00 175.76 177.96 1x1j n THR 232 N 0.82 0.21 0.00 0.00 -2.24 -1.26 -4.47 114.28 107.33 1x1j n THR 232 Ca -0.08 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1x1j n THR 232 Cb 0.52 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1x1j n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1j n GLY 233 N 0.25 1.38 4.97 3.38 0.00 -1.26 -5.16 105.19 108.75 1x1j n GLY 233 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1x1j n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1j n GLY 234 N -0.13 -1.55 3.78 -0.02 0.00 -1.26 -4.91 105.19 101.10 1x1j n GLY 234 Ca 0.00 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 1x1j n GLY 234 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1j s ASP 235 N -4.00 6.74 0.00 1.61 1.11 -1.26 -4.63 116.67 116.24 1x1j s ASP 235 Ca 0.00 2.04 0.00 0.00 0.18 0.00 0.00 52.55 54.77 1x1j s ASP 235 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1x1j s ASP 235 CO 0.00 -0.50 0.00 0.61 1.18 0.00 0.00 175.17 176.46 1x1j n GLY 236 N 0.33 1.91 3.78 0.21 0.00 0.56 -3.99 105.19 107.98 1x1j n GLY 236 Ca 0.05 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 1x1j n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1j s PHE 237 N -1.51 3.87 0.25 1.61 0.08 -1.26 -1.65 117.98 119.37 1x1j s PHE 237 Ca 0.00 1.70 0.06 0.00 0.12 0.00 0.00 56.93 58.81 1x1j s PHE 237 Cb 0.00 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 1x1j s PHE 237 CO 0.00 0.44 0.24 0.71 -0.10 0.00 0.00 175.22 176.51 1x1j s TYR 238 N -1.27 3.21 0.45 0.36 1.51 0.72 -0.47 117.35 121.86 1x1j s TYR 238 Ca 0.40 -0.08 0.19 0.00 -1.01 0.00 0.00 57.07 56.57 1x1j s TYR 238 Cb -0.22 -1.45 1.18 0.00 -0.11 0.00 0.00 41.96 41.35 1x1j s TYR 238 CO 0.27 0.50 2.03 0.00 -1.11 0.00 0.00 175.55 177.23 1x1j h ALA 239 N 1.42 1.56 0.00 3.71 0.00 -1.88 -1.83 119.26 122.25 1x1j h ALA 239 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1x1j h ALA 239 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1x1j h ALA 239 CO 0.61 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 1x1j n ASP 240 N -4.09 0.00 0.00 0.00 3.85 -1.26 -4.87 116.55 110.18 1x1j n ASP 240 Ca -0.02 -0.94 0.00 0.00 -0.71 0.00 0.00 54.79 53.12 1x1j n ASP 240 Cb 0.24 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 1x1j n ASP 240 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1x1j n GLY 241 N 0.91 0.38 3.79 6.12 0.00 -0.69 -4.81 105.19 110.88 1x1j n GLY 241 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1x1j n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1j s SER 242 N -1.98 4.48 -0.03 1.61 0.01 -1.26 -3.96 113.70 112.57 1x1j s SER 242 Ca 0.00 1.41 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 1x1j s SER 242 Cb 0.00 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 64.10 1x1j s SER 242 CO 0.00 -1.99 0.05 0.12 0.41 0.00 0.00 173.24 171.83 1x1j s PHE 243 N -3.09 0.02 0.06 2.43 5.36 -1.26 -0.20 117.98 121.30 1x1j s PHE 243 Ca 0.61 0.20 0.08 0.00 -0.96 0.00 0.00 56.93 56.86 1x1j s PHE 243 Cb -0.15 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 1x1j s PHE 243 CO 0.55 -0.13 -0.23 0.08 -1.46 0.00 0.00 175.22 174.03 1x1j s VAL 244 N 1.40 1.86 -0.01 3.12 1.01 -0.66 -1.55 120.40 125.58 1x1j s VAL 244 Ca -0.05 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 60.54 1x1j s VAL 244 Cb -0.13 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1x1j s VAL 244 CO -0.03 0.22 0.10 -1.58 0.00 0.00 0.00 175.10 173.80 1x1j s GLN 245 N -1.35 0.37 -1.37 2.72 2.00 -0.80 -0.32 119.66 120.91 1x1j s GLN 245 Ca 0.09 -0.30 -0.06 0.00 -2.00 0.00 0.00 55.36 53.09 1x1j s GLN 245 Cb -0.09 0.15 0.01 0.00 0.80 0.00 0.00 33.01 33.87 1x1j s GLN 245 CO 0.02 -0.08 0.73 0.72 -0.50 0.00 0.00 175.29 176.19 1x1j n HIS 246 N 1.86 -2.08 0.00 1.67 8.25 -1.26 -2.79 115.22 120.87 1x1j n HIS 246 Ca -0.20 0.63 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1x1j n HIS 246 Cb 0.56 -4.38 0.00 0.00 1.12 0.00 0.00 29.99 27.29 1x1j n HIS 246 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1x1j n THR 247 N -4.54 0.00 -0.61 1.59 -1.04 -1.26 -4.27 114.28 104.14 1x1j n THR 247 Ca -0.07 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.96 1x1j n THR 247 Cb 0.59 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.13 1x1j n THR 247 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x1j n THR 248 N 0.00 0.82 -4.56 12.58 -2.24 -1.25 -4.61 114.28 115.02 1x1j n THR 248 Ca 0.00 -0.89 -0.34 0.00 -2.27 0.00 0.00 64.05 60.56 1x1j n THR 248 Cb 0.00 0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 1x1j n THR 248 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x1j s PHE 249 N -1.00 2.95 -0.15 4.78 0.40 -1.12 -0.40 117.98 123.44 1x1j s PHE 249 Ca 0.06 -0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 1x1j s PHE 249 Cb 0.05 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1x1j s PHE 249 CO 0.01 0.10 1.56 0.00 0.70 0.00 0.00 175.22 177.58 1x1j s ALA 250 N -0.15 3.47 -0.02 5.36 0.00 -1.26 -1.90 121.76 127.25 1x1j s ALA 250 Ca 0.02 0.62 0.19 0.00 0.00 0.00 0.00 51.96 52.79 1x1j s ALA 250 Cb -0.13 -3.77 0.33 0.00 0.00 0.00 0.00 23.12 19.55 1x1j s ALA 250 CO 0.03 -1.61 1.14 0.66 0.00 0.00 0.00 175.76 175.97 1x1j n TYR 251 N 7.64 0.00 -0.16 0.00 4.01 -0.60 -3.95 117.16 124.10 1x1j n TYR 251 Ca 0.17 -0.51 -0.02 0.00 -0.16 0.00 0.00 57.90 57.39 1x1j n TYR 251 Cb 0.44 -0.14 0.07 0.00 -0.31 0.00 0.00 39.34 39.41 1x1j n TYR 251 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1x1j h THR 252 N 6.21 0.67 -0.00 -0.72 2.02 -1.56 0.10 112.91 119.63 1x1j h THR 252 Ca -0.15 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1x1j h THR 252 Cb 1.68 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1x1j h THR 252 CO 0.07 0.04 -0.05 0.61 0.37 0.00 0.00 175.52 176.55 1x1j n GLY 253 N -1.30 -0.90 0.00 2.16 0.00 0.13 -1.48 105.19 103.80 1x1j n GLY 253 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1x1j n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1j n GLY 254 N 1.20 0.20 0.21 -0.02 0.00 -0.83 -4.50 105.19 101.44 1x1j n GLY 254 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1x1j n GLY 254 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x1j h TYR 255 N 0.00 0.00 -0.68 1.61 0.05 -1.77 -2.66 116.97 113.52 1x1j h TYR 255 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1x1j h TYR 255 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1x1j h TYR 255 CO 0.00 0.25 0.13 0.78 -1.05 0.00 0.00 178.16 178.27 1x1j h GLY 256 N 0.87 1.19 1.02 3.88 0.00 -0.77 -1.00 103.07 108.27 1x1j h GLY 256 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1x1j h GLY 256 CO 0.03 0.71 0.48 1.76 0.00 0.00 0.00 176.54 179.52 1x1j h SER 257 N 1.04 1.08 -0.19 0.19 0.02 -0.91 -0.07 113.55 114.71 1x1j h SER 257 Ca 0.21 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1x1j h SER 257 Cb 0.41 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1x1j h SER 257 CO 0.01 0.86 0.07 0.28 -1.14 0.00 0.00 176.83 176.91 1x1j h SER 258 N 1.20 0.26 -0.92 3.07 0.02 -1.28 0.87 113.55 116.78 1x1j h SER 258 Ca 0.30 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1x1j h SER 258 Cb 0.02 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1x1j h SER 258 CO -0.05 0.36 0.60 0.58 -1.14 0.00 0.00 176.83 177.18 1x1j h VAL 259 N 0.14 1.24 -0.11 2.27 2.07 -0.83 -0.37 116.25 120.67 1x1j h VAL 259 Ca 0.06 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1x1j h VAL 259 Cb 0.18 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1x1j h VAL 259 CO -0.00 0.24 0.04 0.25 0.02 0.00 0.00 177.57 178.11 1x1j h LEU 260 N 1.25 0.15 0.10 2.57 5.85 -0.69 0.18 115.31 124.72 1x1j h LEU 260 Ca 0.34 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1x1j h LEU 260 Cb -0.13 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1x1j h LEU 260 CO -0.07 0.29 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.19 1x1j h GLU 261 N 0.00 -0.13 -0.62 1.25 4.81 -0.52 -0.51 114.58 118.87 1x1j h GLU 261 Ca 0.03 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1x1j h GLU 261 Cb 0.19 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1x1j h GLU 261 CO -0.00 -0.04 0.10 1.15 -0.73 0.00 0.00 179.01 179.49 1x1j h THR 262 N -0.18 1.26 -0.44 0.32 2.02 -1.09 -1.00 112.91 113.81 1x1j h THR 262 Ca -0.01 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 1x1j h THR 262 Cb 0.15 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1x1j h THR 262 CO 0.02 0.37 0.12 0.74 0.37 0.00 0.00 175.52 177.14 1x1j h THR 263 N 0.93 1.23 -0.47 3.16 2.02 -0.88 -1.48 112.91 117.41 1x1j h THR 263 Ca 0.19 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1x1j h THR 263 Cb 0.42 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1x1j h THR 263 CO 0.01 0.28 0.14 0.00 0.37 0.00 0.00 175.52 176.31 1x1j h ALA 264 N 0.97 0.62 -0.52 6.16 0.00 -0.94 -0.59 119.26 124.95 1x1j h ALA 264 Ca 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1x1j h ALA 264 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1x1j h ALA 264 CO -0.00 0.28 0.17 -0.91 0.00 0.00 0.00 179.25 178.79 1x1j h ASN 265 N 0.63 0.76 -0.16 0.00 2.35 -1.03 -1.19 115.58 116.93 1x1j h ASN 265 Ca 0.15 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1x1j h ASN 265 Cb 0.29 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1x1j h ASN 265 CO -0.00 0.76 -0.30 0.25 -1.65 0.00 0.00 177.43 176.49 1x1j h LEU 266 N 0.71 0.54 -0.18 1.61 5.85 -1.21 -1.77 115.31 120.86 1x1j h LEU 266 Ca 0.17 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1x1j h LEU 266 Cb 0.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1x1j h LEU 266 CO -0.01 0.98 0.07 0.24 -0.34 0.00 0.00 178.44 179.39 1x1j h MET 267 N 0.11 0.16 -0.54 1.25 2.86 -1.09 -1.14 114.93 116.53 1x1j h MET 267 Ca 0.01 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1x1j h MET 267 Cb 0.89 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1x1j h MET 267 CO 0.07 0.11 0.35 -0.92 1.06 0.00 0.00 176.91 177.57 1x1j h TYR 268 N 0.16 0.66 0.08 -0.22 5.03 -1.23 0.20 116.97 121.64 1x1j h TYR 268 Ca 0.08 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.42 1x1j h TYR 268 Cb 0.04 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.07 1x1j h TYR 268 CO -0.11 0.40 -0.20 1.25 -1.32 0.00 0.00 178.16 178.18 1x1j h LEU 269 N 0.71 -0.57 -0.79 2.82 5.85 -0.93 -2.98 115.31 119.42 1x1j h LEU 269 Ca 0.21 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 1x1j h LEU 269 Cb -0.05 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1x1j h LEU 269 CO -0.06 -0.28 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.26 1x1j h LEU 270 N -0.37 0.40 -8.43 2.25 3.38 -1.02 -3.46 115.31 108.07 1x1j h LEU 270 Ca 0.04 -0.18 -0.76 0.00 0.09 0.00 0.00 57.88 57.06 1x1j h LEU 270 Cb 0.40 -0.11 0.04 0.00 0.09 0.00 0.00 40.66 41.07 1x1j h LEU 270 CO -0.13 0.79 0.22 -0.24 0.09 0.00 0.00 178.44 179.17 1x1j n SER 271 N -4.01 0.31 0.00 -0.43 2.88 0.67 -0.46 113.62 112.59 1x1j n SER 271 Ca -0.02 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1x1j n SER 271 Cb 0.51 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1x1j n SER 271 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1j n GLY 272 N 2.06 1.52 3.98 0.46 0.00 -1.26 -4.96 105.19 106.99 1x1j n GLY 272 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1x1j n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1j s SER 273 N -3.26 5.29 0.56 1.61 1.04 0.39 -4.95 113.70 114.38 1x1j s SER 273 Ca 0.00 -0.68 0.30 0.00 0.48 0.00 0.00 55.95 56.05 1x1j s SER 273 Cb 0.00 -0.29 1.46 0.00 0.10 0.00 0.00 66.02 67.29 1x1j s SER 273 CO 0.00 -0.93 1.88 0.74 0.98 0.00 0.00 173.24 175.92 1x1j h THR 274 N 0.61 0.47 -0.58 2.02 2.02 -1.96 0.00 112.91 115.49 1x1j h THR 274 Ca -0.37 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.51 1x1j h THR 274 Cb 1.28 0.57 -0.18 0.00 -1.74 0.00 0.00 68.15 68.09 1x1j h THR 274 CO 0.47 0.00 0.18 0.79 0.37 0.00 0.00 175.52 177.33 1x1j n TRP 275 N -4.03 1.80 -1.72 3.16 8.01 -1.26 -5.03 117.44 118.37 1x1j n TRP 275 Ca 0.14 -1.68 -0.38 0.00 -1.31 0.00 0.00 57.50 54.27 1x1j n TRP 275 Cb 0.84 -0.65 0.06 0.00 -2.01 0.00 0.00 31.31 29.55 1x1j n TRP 275 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1x1j n SER 276 N -1.11 2.07 -4.64 -0.99 2.88 -0.02 -4.81 113.62 107.00 1x1j n SER 276 Ca 0.43 0.87 -0.43 0.00 -1.33 0.00 0.00 58.87 58.40 1x1j n SER 276 Cb 1.26 -1.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 1x1j n SER 276 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1j s VAL 277 N -1.37 3.81 -1.24 2.46 1.01 -1.26 -4.86 120.40 118.94 1x1j s VAL 277 Ca 0.79 0.93 0.17 0.00 0.00 0.00 0.00 61.98 63.87 1x1j s VAL 277 Cb -0.40 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1x1j s VAL 277 CO 0.43 -0.25 0.82 -1.54 0.00 0.00 0.00 175.10 174.56 1x1j n SER 278 N 7.87 1.31 -4.64 3.32 3.41 -1.26 -4.96 113.62 118.67 1x1j n SER 278 Ca 0.17 -1.16 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 1x1j n SER 278 Cb 0.45 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 1x1j n SER 278 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x1j s ASP 279 N -2.25 6.16 0.52 4.04 -1.08 -1.26 -4.84 116.67 117.96 1x1j s ASP 279 Ca 0.11 2.46 0.25 0.00 -0.52 0.00 0.00 52.55 54.84 1x1j s ASP 279 Cb 0.13 -2.52 1.36 0.00 -1.46 0.00 0.00 42.92 40.43 1x1j s ASP 279 CO 0.54 -1.32 1.97 -0.65 0.52 0.00 0.00 175.17 176.24 1x1j h PRO 280 N 11.89 0.06 0.00 4.34 0.11 -2.04 -0.32 132.00 146.03 1x1j h PRO 280 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1x1j h PRO 280 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1x1j h PRO 280 CO 0.95 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.87 1x1j n ASN 281 N -4.38 0.42 0.25 -2.05 3.02 -1.26 -2.38 115.26 108.88 1x1j n ASN 281 Ca 0.12 0.67 0.17 0.00 -0.03 0.00 0.00 54.58 55.51 1x1j n ASN 281 Cb 0.64 -0.73 0.91 0.00 -0.61 0.00 0.00 39.78 39.99 1x1j n ASN 281 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 1x1j h GLN 282 N 0.00 0.00 0.00 3.52 3.07 -1.38 0.23 115.11 120.55 1x1j h GLN 282 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1x1j h GLN 282 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1x1j h GLN 282 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 178.83 177.79 1x1j n SER 283 N -2.67 0.74 -0.05 0.06 3.41 -1.00 -2.14 113.62 111.96 1x1j n SER 283 Ca -0.02 0.64 0.02 0.00 -0.26 0.00 0.00 58.87 59.25 1x1j n SER 283 Cb 0.05 -0.81 0.34 0.00 -0.26 0.00 0.00 64.21 63.54 1x1j n SER 283 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1x1j h ASN 284 N 0.00 0.57 -0.99 4.04 -0.26 -0.79 -2.06 115.58 116.08 1x1j h ASN 284 Ca 0.00 -0.04 0.19 0.00 -0.56 0.00 0.00 56.30 55.88 1x1j h ASN 284 Cb 0.49 -0.14 -0.10 0.00 -1.06 0.00 0.00 38.32 37.51 1x1j h ASN 284 CO 0.00 0.48 0.61 0.58 -1.06 0.00 0.00 177.43 178.04 1x1j h VAL 285 N 0.64 0.71 -0.74 2.81 2.07 -1.59 0.59 116.25 120.74 1x1j h VAL 285 Ca 0.16 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1x1j h VAL 285 Cb 0.05 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 1x1j h VAL 285 CO -0.02 0.13 0.35 -0.50 0.02 0.00 0.00 177.57 177.55 1x1j h TRP 286 N 0.72 1.07 -0.37 1.57 -0.00 -1.55 -2.66 115.95 114.74 1x1j h TRP 286 Ca 0.56 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.89 59.33 1x1j h TRP 286 Cb 0.92 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 29.73 1x1j h TRP 286 CO -0.00 0.79 -0.02 1.96 -0.00 0.00 0.00 178.44 181.17 1x1j h GLN 287 N 1.04 0.59 -0.57 0.49 1.08 -0.96 -2.56 115.11 114.22 1x1j h GLN 287 Ca 0.25 -0.14 0.10 0.00 -1.45 0.00 0.00 58.65 57.41 1x1j h GLN 287 Cb 0.12 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.40 1x1j h GLN 287 CO -0.03 0.63 0.16 -1.49 -0.95 0.00 0.00 178.83 177.14 1x1j h TRP 288 N 0.56 0.27 0.24 2.96 6.55 -1.04 0.73 115.95 126.21 1x1j h TRP 288 Ca 0.12 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.98 1x1j h TRP 288 Cb 0.38 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1x1j h TRP 288 CO 0.01 0.03 -0.12 0.82 -1.05 0.00 0.00 178.44 178.14 1x1j h ILE 289 N 0.31 0.81 -0.13 1.49 1.08 -1.45 0.69 117.51 120.31 1x1j h ILE 289 Ca 0.29 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1x1j h ILE 289 Cb 0.40 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1x1j h ILE 289 CO -0.34 0.06 0.02 1.88 -0.69 0.00 0.00 178.15 179.08 1x1j h TYR 290 N -0.46 0.24 0.02 1.37 0.99 -1.14 0.13 116.97 118.12 1x1j h TYR 290 Ca -0.03 -0.03 -0.36 0.00 2.00 0.00 0.00 58.73 60.30 1x1j h TYR 290 Cb 0.34 -0.06 -0.06 0.00 1.00 0.00 0.00 36.73 37.95 1x1j h TYR 290 CO -0.02 0.41 -2.22 0.39 -0.00 0.00 0.00 178.16 176.72 1x1j n GLU 291 N -4.81 0.68 -0.02 4.88 -0.58 0.25 -4.26 120.64 116.77 1x1j n GLU 291 Ca -0.05 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.72 1x1j n GLU 291 Cb 0.18 -1.61 -0.14 0.00 -0.57 0.00 0.00 31.44 29.30 1x1j n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x1j n ALA 292 N -2.93 1.36 -0.08 0.62 0.00 0.22 -4.61 120.51 115.10 1x1j n ALA 292 Ca -0.34 -0.77 -0.15 0.00 0.00 0.00 0.00 53.44 52.18 1x1j n ALA 292 Cb 1.06 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 1x1j n ALA 292 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x1j n TYR 293 N -3.12 0.00 -0.30 0.00 4.02 0.20 -4.53 117.16 113.43 1x1j n TYR 293 Ca -0.21 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.79 1x1j n TYR 293 Cb 1.06 -0.55 0.26 0.00 -0.02 0.00 0.00 39.34 40.08 1x1j n TYR 293 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1x1j h ARG 294 N -0.68 0.11 0.00 -0.72 2.43 -0.91 0.14 114.38 114.74 1x1j h ARG 294 Ca -0.30 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1x1j h ARG 294 Cb 1.14 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1x1j h ARG 294 CO -0.18 0.07 -0.11 -1.35 -1.51 0.00 0.00 179.97 176.89 1x1j h PRO 295 N 0.11 0.00 -0.56 0.20 0.11 -1.82 -3.05 132.00 126.99 1x1j h PRO 295 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1x1j h PRO 295 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1x1j h PRO 295 CO -0.75 0.11 0.00 1.28 -0.21 0.00 0.00 178.00 178.43 1x1j n LEU 296 N -3.29 5.41 -4.44 2.35 4.77 0.48 -4.91 117.00 117.37 1x1j n LEU 296 Ca -0.00 -2.86 -0.33 0.00 -0.03 0.00 0.00 56.01 52.79 1x1j n LEU 296 Cb 0.34 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.64 1x1j n LEU 296 CO 0.30 0.67 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.82 1x1j s LEU 297 N -2.61 2.78 -0.30 2.23 1.43 -1.07 -2.21 118.68 118.94 1x1j s LEU 297 Ca 0.53 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1x1j s LEU 297 Cb 0.40 -1.59 0.10 0.00 0.03 0.00 0.00 46.19 45.12 1x1j s LEU 297 CO 0.17 0.27 0.11 -0.47 0.23 0.00 0.00 176.35 176.66 1x1j s TYR 298 N -0.28 1.14 -1.49 0.29 6.14 -0.31 -4.87 117.35 117.98 1x1j s TYR 298 Ca 0.02 -1.36 -0.11 0.00 0.64 0.00 0.00 57.07 56.26 1x1j s TYR 298 Cb -0.13 -1.37 0.07 0.00 0.42 0.00 0.00 41.96 40.95 1x1j s TYR 298 CO 0.03 -0.85 0.89 1.63 0.64 0.00 0.00 175.55 177.89 1x1j n LYS 299 N 5.01 -5.20 0.00 4.97 5.02 -1.26 -2.27 118.16 124.43 1x1j n LYS 299 Ca -0.04 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1x1j n LYS 299 Cb 0.42 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 1x1j n LYS 299 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1j n GLY 300 N -1.67 2.52 3.78 0.72 0.00 -1.26 -3.68 105.19 105.60 1x1j n GLY 300 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1x1j n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j s ALA 301 N -2.63 3.63 -0.39 4.61 0.00 -0.96 -3.77 121.76 122.25 1x1j s ALA 301 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1x1j s ALA 301 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1x1j s ALA 301 CO 0.00 0.25 0.44 1.41 0.00 0.00 0.00 175.76 177.86 1x1j s MET 302 N -0.16 3.34 -0.16 0.00 1.75 -0.11 -1.16 119.30 122.80 1x1j s MET 302 Ca 0.21 -0.53 -0.41 0.00 -1.25 0.00 0.00 55.69 53.70 1x1j s MET 302 Cb -0.15 -3.89 -0.19 0.00 2.84 0.00 0.00 34.83 33.45 1x1j s MET 302 CO 0.09 -0.73 1.37 -1.33 -0.65 0.00 0.00 175.02 173.77 1x1j n MET 303 N 5.60 0.42 0.24 4.11 2.81 -0.94 -4.62 117.12 124.74 1x1j n MET 303 Ca -0.07 0.15 0.10 0.00 -1.81 0.00 0.00 57.70 56.08 1x1j n MET 303 Cb 0.48 -1.71 0.69 0.00 -0.71 0.00 0.00 33.22 31.97 1x1j n MET 303 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1x1j h ASP 304 N 4.52 0.00 0.00 7.83 3.32 -1.95 -2.80 116.42 127.34 1x1j h ASP 304 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1x1j h ASP 304 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1x1j h ASP 304 CO 0.81 0.00 0.02 1.15 -1.72 0.00 0.00 179.24 179.50 1x1j n MET 305 N -4.40 0.12 -0.20 3.56 0.00 -1.26 -0.50 117.12 114.43 1x1j n MET 305 Ca -0.02 0.61 0.10 0.00 0.00 0.00 0.00 57.70 58.39 1x1j n MET 305 Cb 0.15 -1.91 0.18 0.00 0.00 0.00 0.00 33.22 31.64 1x1j n MET 305 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1x1j n VAL 306 N -2.14 2.03 0.45 3.17 0.24 -1.06 -4.61 118.33 116.41 1x1j n VAL 306 Ca -0.01 -2.14 0.07 0.00 -2.04 0.00 0.00 64.34 60.22 1x1j n VAL 306 Cb 0.05 -0.25 0.09 0.00 -1.47 0.00 0.00 33.84 32.26 1x1j n VAL 306 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x1j n ARG 307 N -1.12 1.43 0.00 7.34 1.74 0.35 0.22 116.66 126.61 1x1j n ARG 307 Ca 0.18 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 1x1j n ARG 307 Cb 0.73 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 1x1j n ARG 307 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x1j n GLY 308 N 0.84 2.55 0.00 -0.13 0.00 -1.25 -1.46 105.19 105.74 1x1j n GLY 308 Ca 0.10 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1x1j n GLY 308 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x1j n ARG 309 N 14.00 0.20 0.04 1.61 1.85 -1.26 -2.98 116.66 130.13 1x1j n ARG 309 Ca 0.00 0.13 0.08 0.00 -1.00 0.00 0.00 57.85 57.07 1x1j n ARG 309 Cb 0.00 -1.50 0.37 0.00 -1.05 0.00 0.00 32.46 30.28 1x1j n ARG 309 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1x1j n GLU 310 N -1.33 0.05 0.29 2.89 1.02 -0.54 -2.15 120.64 120.88 1x1j n GLU 310 Ca 0.08 0.29 0.19 0.00 -0.02 0.00 0.00 57.16 57.70 1x1j n GLU 310 Cb 0.16 -1.60 0.86 0.00 -0.02 0.00 0.00 31.44 30.84 1x1j n GLU 310 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1x1j h ILE 311 N 0.00 0.00 -0.28 -3.67 3.07 -1.67 -1.10 117.51 113.86 1x1j h ILE 311 Ca 0.00 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1x1j h ILE 311 Cb 0.29 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.14 1x1j h ILE 311 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 1x1j n SER 312 N -3.04 1.57 -4.44 2.16 3.41 -0.91 -4.79 113.62 107.57 1x1j n SER 312 Ca -0.01 -2.01 -0.39 0.00 -0.26 0.00 0.00 58.87 56.20 1x1j n SER 312 Cb 0.22 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 1x1j n SER 312 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1x1j s ARG 313 N -1.62 3.25 0.36 4.33 0.52 -0.42 -4.54 118.95 120.83 1x1j s ARG 313 Ca 0.19 -0.79 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1x1j s ARG 313 Cb 0.10 -3.65 0.77 0.00 0.52 0.00 0.00 34.95 32.69 1x1j s ARG 313 CO 0.13 -0.49 1.94 0.66 0.02 0.00 0.00 175.30 177.56 1x1j h SER 314 N 8.40 0.65 0.02 0.23 4.64 -1.87 -1.11 113.55 124.51 1x1j h SER 314 Ca -0.31 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1x1j h SER 314 Cb 1.14 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1x1j h SER 314 CO 0.63 0.40 -0.00 0.00 -0.87 0.00 0.00 176.83 176.99 1x1j n TYR 315 N -4.49 0.00 -2.92 4.77 4.11 -1.26 -4.06 117.16 113.31 1x1j n TYR 315 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.82 1x1j n TYR 315 Cb 0.28 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.59 1x1j n TYR 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1x1j n ALA 316 N -0.76 3.46 -1.84 -3.48 0.00 -0.42 -4.86 120.51 112.61 1x1j n ALA 316 Ca 0.22 -3.85 -0.30 0.00 0.00 0.00 0.00 53.44 49.52 1x1j n ALA 316 Cb 0.17 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1x1j n ALA 316 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x1j s GLN 317 N -3.01 2.60 0.31 0.00 -0.21 -1.24 -4.71 119.66 113.38 1x1j s GLN 317 Ca 0.41 0.42 0.07 0.00 0.02 0.00 0.00 55.36 56.28 1x1j s GLN 317 Cb 0.36 -2.00 0.84 0.00 1.00 0.00 0.00 33.01 33.21 1x1j s GLN 317 CO -0.09 -1.21 1.67 0.38 -2.12 0.00 0.00 175.29 173.92 1x1j h ASP 318 N -0.78 0.31 0.23 5.90 3.04 -1.83 -1.24 116.42 122.05 1x1j h ASP 318 Ca -0.45 0.18 -0.21 0.00 -3.24 0.00 0.00 57.03 53.30 1x1j h ASP 318 Cb 1.27 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.73 1x1j h ASP 318 CO 0.64 -0.08 -0.85 0.45 -2.04 0.00 0.00 179.24 177.36 1x1j h HIS 319 N 0.34 0.67 -0.75 4.15 3.86 -1.88 0.15 115.15 121.68 1x1j h HIS 319 Ca 0.61 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1x1j h HIS 319 Cb 1.26 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 1x1j h HIS 319 CO -0.13 1.13 0.35 0.00 0.86 0.00 0.00 177.93 180.14 1x1j h ALA 320 N 0.77 1.20 -0.16 2.45 0.00 -1.56 -0.38 119.26 121.58 1x1j h ALA 320 Ca -0.06 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1x1j h ALA 320 Cb 1.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1x1j h ALA 320 CO 0.15 0.61 -0.21 0.28 0.00 0.00 0.00 179.25 180.07 1x1j h VAL 321 N 1.07 1.35 -0.77 0.00 2.07 -1.19 -2.92 116.25 115.86 1x1j h VAL 321 Ca 0.26 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.42 1x1j h VAL 321 Cb 0.12 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1x1j h VAL 321 CO -0.03 0.42 0.46 1.23 0.02 0.00 0.00 177.57 179.67 1x1j h GLY 322 N 0.06 1.14 0.78 2.17 0.00 -0.84 -0.21 103.07 106.18 1x1j h GLY 322 Ca 0.02 -0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.11 1x1j h GLY 322 CO 0.05 0.23 0.54 0.45 0.00 0.00 0.00 176.54 177.81 1x1j h HIS 323 N 0.85 0.85 -0.31 5.60 3.86 -1.03 -0.22 115.15 124.75 1x1j h HIS 323 Ca 0.34 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.46 1x1j h HIS 323 Cb 0.16 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1x1j h HIS 323 CO -0.05 0.39 -0.25 0.78 0.86 0.00 0.00 177.93 179.66 1x1j h GLY 324 N 0.79 0.65 1.43 2.45 0.00 -0.87 -1.38 103.07 106.14 1x1j h GLY 324 Ca 0.39 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 1x1j h GLY 324 CO -0.16 0.51 -0.47 -2.22 0.00 0.00 0.00 176.54 174.20 1x1j h ILE 325 N 0.53 1.30 -0.14 2.60 2.04 -0.28 -2.42 117.51 121.14 1x1j h ILE 325 Ca 0.07 -1.67 -0.13 0.00 1.00 0.00 0.00 64.86 64.14 1x1j h ILE 325 Cb 0.72 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1x1j h ILE 325 CO 0.05 0.53 -0.47 0.58 0.00 0.00 0.00 178.15 178.84 1x1j h VAL 326 N 0.49 1.33 -0.88 1.67 2.07 -1.03 -1.54 116.25 118.36 1x1j h VAL 326 Ca 0.03 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1x1j h VAL 326 Cb 1.00 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1x1j h VAL 326 CO 0.09 0.51 0.57 0.00 0.02 0.00 0.00 177.57 178.76 1x1j h ALA 327 N 1.21 1.12 -0.55 1.67 0.00 -1.04 0.19 119.26 121.86 1x1j h ALA 327 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1x1j h ALA 327 Cb 0.94 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1x1j h ALA 327 CO 0.08 0.54 -0.03 0.77 0.00 0.00 0.00 179.25 180.61 1x1j h SER 328 N 1.20 0.95 -0.74 0.00 0.02 -0.97 -0.84 113.55 113.17 1x1j h SER 328 Ca 0.32 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1x1j h SER 328 Cb -0.11 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.14 1x1j h SER 328 CO -0.07 1.02 0.25 0.40 -1.14 0.00 0.00 176.83 177.29 1x1j h ILE 329 N 0.88 1.26 -0.31 3.27 2.04 -0.54 -0.86 117.51 123.26 1x1j h ILE 329 Ca 0.16 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1x1j h ILE 329 Cb 0.56 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1x1j h ILE 329 CO 0.03 0.35 -0.17 0.58 0.00 0.00 0.00 178.15 178.94 1x1j h VAL 330 N 1.10 1.25 -0.52 1.67 2.07 -0.65 -1.04 116.25 120.13 1x1j h VAL 330 Ca 0.24 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 1x1j h VAL 330 Cb 0.28 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1x1j h VAL 330 CO -0.01 0.37 -0.06 -0.09 0.02 0.00 0.00 177.57 177.80 1x1j h ARG 331 N 0.50 0.96 -0.14 1.57 9.65 -0.45 -2.91 114.38 123.56 1x1j h ARG 331 Ca 0.08 -0.34 -0.11 0.00 -1.10 0.00 0.00 59.98 58.52 1x1j h ARG 331 Cb 0.58 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1x1j h ARG 331 CO 0.04 1.00 -0.38 -0.07 2.80 0.00 0.00 179.97 183.36 1x1j h LEU 332 N 0.83 0.31 -2.59 3.80 3.38 -0.84 -2.71 115.31 117.49 1x1j h LEU 332 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1x1j h LEU 332 Cb 0.61 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1x1j h LEU 332 CO 0.04 0.67 0.01 0.00 0.09 0.00 0.00 178.44 179.24 1x1j h ALA 333 N 1.35 1.41 -0.18 1.53 0.00 -0.99 0.14 119.26 122.51 1x1j h ALA 333 Ca 0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1x1j h ALA 333 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1x1j h ALA 333 CO 0.06 -0.01 -0.31 1.96 0.00 0.00 0.00 179.25 180.96 1x1j h GLN 334 N 0.00 0.36 0.00 0.00 1.08 -1.47 -3.38 115.11 111.69 1x1j h GLN 334 Ca 0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1x1j h GLN 334 Cb 0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1x1j h GLN 334 CO -0.00 0.63 -0.63 1.97 -0.95 0.00 0.00 178.83 179.85 1x1j n PHE 335 N -4.10 0.00 -1.53 2.96 1.16 -0.94 -5.08 117.46 109.93 1x1j n PHE 335 Ca -0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.19 1x1j n PHE 335 Cb 0.42 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.34 1x1j n PHE 335 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1x1j n ALA 336 N -0.97 -0.46 -1.93 1.98 0.00 0.44 -4.98 120.51 114.58 1x1j n ALA 336 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1x1j n ALA 336 Cb 0.02 -1.98 0.17 0.00 0.00 0.00 0.00 19.45 17.65 1x1j n ALA 336 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x1j s PRO 337 N -2.53 0.84 0.35 0.00 0.04 -1.26 -4.23 135.00 128.21 1x1j s PRO 337 Ca 0.73 -0.42 -0.22 0.00 0.04 0.00 0.00 61.00 61.13 1x1j s PRO 337 Cb -0.42 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1x1j s PRO 337 CO 0.50 -2.27 0.89 0.00 0.04 0.00 0.00 177.00 176.17 1x1j s ALA 338 N -3.80 3.18 -0.37 8.56 0.00 -1.26 -1.25 121.76 126.82 1x1j s ALA 338 Ca 0.72 0.36 0.10 0.00 0.00 0.00 0.00 51.96 53.15 1x1j s ALA 338 Cb -0.05 -3.07 0.67 0.00 0.00 0.00 0.00 23.12 20.67 1x1j s ALA 338 CO 0.52 0.20 1.57 -0.35 0.00 0.00 0.00 175.76 177.70 1x1j n PRO 339 N -0.02 3.94 0.05 0.00 -0.04 -1.26 -4.93 135.00 132.75 1x1j n PRO 339 Ca 0.04 -2.60 -0.13 0.00 -0.04 0.00 0.00 63.50 60.77 1x1j n PRO 339 Cb 0.52 -2.12 -0.09 0.00 -0.04 0.00 0.00 33.50 31.77 1x1j n PRO 339 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x1j h HIS 340 N 2.97 -0.16 -0.73 0.54 3.86 -1.52 -2.27 115.15 117.83 1x1j h HIS 340 Ca 0.08 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.45 1x1j h HIS 340 Cb 1.85 0.05 -0.12 0.00 1.06 0.00 0.00 27.41 30.25 1x1j h HIS 340 CO 0.97 0.25 0.03 0.00 0.86 0.00 0.00 177.93 180.05 1x1j h ALA 341 N 0.14 0.78 -0.28 2.45 0.00 -1.44 0.27 119.26 121.19 1x1j h ALA 341 Ca -0.02 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1x1j h ALA 341 Cb 0.48 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x1j h ALA 341 CO 0.03 -0.41 0.15 0.00 0.00 0.00 0.00 179.25 179.02 1x1j h ALA 342 N 1.67 0.36 -0.72 0.00 0.00 -1.83 -1.99 119.26 116.75 1x1j h ALA 342 Ca 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1x1j h ALA 342 Cb 0.70 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1x1j h ALA 342 CO -0.62 -0.11 0.36 0.00 0.00 0.00 0.00 179.25 178.88 1x1j h ALA 343 N 1.03 0.92 -0.59 0.00 0.00 -0.55 -2.07 119.26 118.00 1x1j h ALA 343 Ca 0.10 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1x1j h ALA 343 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1x1j h ALA 343 CO -0.02 0.46 0.32 0.74 0.00 0.00 0.00 179.25 180.75 1x1j h PHE 344 N 0.99 0.58 -0.66 0.00 0.05 -0.28 -0.47 116.94 117.16 1x1j h PHE 344 Ca 0.25 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.05 1x1j h PHE 344 Cb 0.08 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 37.83 1x1j h PHE 344 CO 0.00 0.28 0.37 0.87 -0.18 0.00 0.00 178.31 179.65 1x1j h LYS 345 N 0.60 0.92 -0.59 1.51 1.57 -0.95 0.38 116.57 120.00 1x1j h LYS 345 Ca 0.26 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1x1j h LYS 345 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1x1j h LYS 345 CO -0.17 0.68 0.06 1.96 -0.57 0.00 0.00 179.45 181.42 1x1j h GLN 346 N 0.90 0.97 -0.08 3.15 4.20 -0.85 0.41 115.11 123.81 1x1j h GLN 346 Ca 0.23 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1x1j h GLN 346 Cb 0.03 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1x1j h GLN 346 CO -0.04 0.92 -0.04 0.82 -0.67 0.00 0.00 178.83 179.82 1x1j h ILE 347 N 0.91 1.32 -0.19 2.54 2.04 -0.79 -0.42 117.51 122.93 1x1j h ILE 347 Ca 0.18 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1x1j h ILE 347 Cb 0.44 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1x1j h ILE 347 CO 0.02 0.29 -0.05 0.00 0.00 0.00 0.00 178.15 178.41 1x1j h ALA 348 N 0.63 0.12 -0.27 1.87 0.00 -0.77 -1.86 119.26 118.99 1x1j h ALA 348 Ca 0.02 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1x1j h ALA 348 Cb 0.49 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1x1j h ALA 348 CO 0.01 -0.48 -0.09 -0.22 0.00 0.00 0.00 179.25 178.47 1x1j h LYS 349 N -0.00 -0.03 -0.33 0.00 3.64 -0.92 -0.74 116.57 118.19 1x1j h LYS 349 Ca 0.09 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1x1j h LYS 349 Cb 0.14 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1x1j h LYS 349 CO -0.20 -0.02 0.12 -0.09 -2.27 0.00 0.00 179.45 176.99 1x1j h ARG 350 N -0.03 0.26 -0.51 1.90 1.12 -1.09 -1.56 114.38 114.47 1x1j h ARG 350 Ca 0.14 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.97 1x1j h ARG 350 Cb 0.24 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.12 1x1j h ARG 350 CO -0.30 0.17 0.25 0.28 -3.11 0.00 0.00 179.97 177.26 1x1j h VAL 351 N 0.27 1.19 -0.88 0.20 2.07 -0.85 0.73 116.25 118.98 1x1j h VAL 351 Ca 0.15 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1x1j h VAL 351 Cb 0.11 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1x1j h VAL 351 CO -0.14 0.21 0.52 0.40 0.02 0.00 0.00 177.57 178.58 1x1j h ILE 352 N 0.67 1.24 -0.10 4.57 2.04 -0.88 -2.06 117.51 123.00 1x1j h ILE 352 Ca 0.17 -0.54 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 1x1j h ILE 352 Cb 0.10 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1x1j h ILE 352 CO -0.02 0.26 -0.58 1.56 0.00 0.00 0.00 178.15 179.36 1x1j h GLN 353 N 1.21 0.33 -0.45 2.37 4.20 -0.81 -3.28 115.11 118.68 1x1j h GLN 353 Ca 0.31 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1x1j h GLN 353 Cb -0.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1x1j h GLN 353 CO -0.06 0.82 -0.20 0.93 -0.67 0.00 0.00 178.83 179.64 1x1j h GLU 354 N 0.25 0.93 -6.02 1.46 5.08 -0.34 -3.42 114.58 112.52 1x1j h GLU 354 Ca -0.00 -0.40 -0.49 0.00 -1.00 0.00 0.00 59.36 57.46 1x1j h GLU 354 Cb 1.09 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 1x1j h GLU 354 CO 0.10 1.06 1.20 0.34 -1.00 0.00 0.00 179.01 180.70 1x1j s ASP 355 N -6.65 5.93 -0.07 1.42 3.68 -0.82 -4.78 116.67 115.38 1x1j s ASP 355 Ca -0.12 -0.89 0.18 0.00 2.13 0.00 0.00 52.55 53.85 1x1j s ASP 355 Cb 0.11 -2.56 0.64 0.00 -1.45 0.00 0.00 42.92 39.66 1x1j s ASP 355 CO 0.86 -2.00 1.54 0.35 0.13 0.00 0.00 175.17 176.04 1x1j n THR 356 N 7.13 1.45 -0.11 1.71 -2.24 -1.26 -4.21 114.28 116.74 1x1j n THR 356 Ca 0.29 -1.02 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 1x1j n THR 356 Cb 0.50 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 1x1j n THR 356 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1x1j n PHE 357 N 1.14 0.41 -3.93 4.78 7.35 -1.26 -4.94 117.46 121.00 1x1j n PHE 357 Ca 0.23 0.14 -0.20 0.00 -0.76 0.00 0.00 57.45 56.86 1x1j n PHE 357 Cb 0.75 -1.05 -0.17 0.00 0.35 0.00 0.00 39.48 39.37 1x1j n PHE 357 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1x1j s SER 358 N -7.11 1.10 0.05 -2.13 0.15 -1.26 -5.09 113.70 99.41 1x1j s SER 358 Ca -0.34 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 55.93 1x1j s SER 358 Cb 0.11 -0.38 -0.09 0.00 -1.71 0.00 0.00 66.02 63.95 1x1j s SER 358 CO 0.57 -0.13 1.86 -0.55 1.20 0.00 0.00 173.24 176.19 1x1j s SER 359 N 1.42 6.49 0.28 5.45 0.15 -1.26 -4.87 113.70 121.36 1x1j s SER 359 Ca -0.04 2.61 0.01 0.00 0.70 0.00 0.00 55.95 59.24 1x1j s SER 359 Cb -0.13 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 62.22 1x1j s SER 359 CO -0.03 -1.01 1.80 0.15 1.20 0.00 0.00 173.24 175.35 1x1j h PHE 360 N 9.76 1.01 0.00 3.44 3.04 -1.87 -0.05 116.94 132.27 1x1j h PHE 360 Ca -0.47 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.47 1x1j h PHE 360 Cb 1.22 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1x1j h PHE 360 CO 0.89 0.32 -0.23 1.88 -2.02 0.00 0.00 178.31 179.16 1x1j h TYR 361 N 0.83 0.00 -0.07 0.41 0.05 -1.95 -3.24 116.97 113.00 1x1j h TYR 361 Ca 0.50 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.30 1x1j h TYR 361 Cb 0.63 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.36 1x1j h TYR 361 CO -0.03 0.23 0.07 0.78 -1.05 0.00 0.00 178.16 178.15 1x1j h GLY 362 N 1.40 0.00 -3.16 3.88 0.00 -1.37 -3.26 103.07 100.55 1x1j h GLY 362 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1x1j h GLY 362 CO 0.03 0.00 -0.93 2.09 0.00 0.00 0.00 176.54 177.73 1x1j n ASP 363 N -3.95 1.56 -4.43 0.19 3.85 -1.22 -5.00 116.55 107.54 1x1j n ASP 363 Ca -0.01 -2.51 -0.21 0.00 -0.71 0.00 0.00 54.79 51.34 1x1j n ASP 363 Cb 0.17 -0.38 -0.10 0.00 -1.35 0.00 0.00 41.12 39.45 1x1j n ASP 363 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1x1j s VAL 364 N -1.76 1.47 0.92 2.12 -7.23 -1.23 -4.93 120.40 109.75 1x1j s VAL 364 Ca 0.35 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1x1j s VAL 364 Cb 0.37 -2.57 0.10 0.00 0.56 0.00 0.00 36.38 34.85 1x1j s VAL 364 CO -0.11 -0.20 0.88 -1.54 -0.31 0.00 0.00 175.10 173.82 1x1j n SER 365 N -0.62 -0.49 0.18 4.85 3.41 -1.26 -4.79 113.62 114.90 1x1j n SER 365 Ca -0.04 0.40 0.02 0.00 -0.26 0.00 0.00 58.87 58.99 1x1j n SER 365 Cb 0.65 -1.38 0.32 0.00 -0.26 0.00 0.00 64.21 63.54 1x1j n SER 365 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1x1j h THR 366 N -1.69 1.26 -0.16 6.66 1.35 -1.86 -1.48 112.91 116.98 1x1j h THR 366 Ca -0.43 -1.49 -0.15 0.00 -0.55 0.00 0.00 66.41 63.79 1x1j h THR 366 Cb 1.28 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1x1j h THR 366 CO 0.39 0.42 -0.54 -0.78 -0.25 0.00 0.00 175.52 174.76 1x1j h ASP 367 N 0.00 0.53 -0.24 5.36 3.58 -1.82 -1.15 116.42 122.69 1x1j h ASP 367 Ca -0.00 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1x1j h ASP 367 Cb 0.78 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1x1j h ASP 367 CO 0.06 0.97 0.06 0.74 -2.88 0.00 0.00 179.24 178.18 1x1j h THR 368 N 0.37 1.21 -0.37 2.25 2.02 -1.73 -0.82 112.91 115.84 1x1j h THR 368 Ca 0.01 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1x1j h THR 368 Cb 1.07 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1x1j h THR 368 CO 0.10 0.22 0.12 0.40 0.37 0.00 0.00 175.52 176.73 1x1j h ILE 369 N 0.21 0.88 0.28 3.11 2.04 -1.16 0.38 117.51 123.24 1x1j h ILE 369 Ca 0.07 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1x1j h ILE 369 Cb 0.28 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1x1j h ILE 369 CO 0.00 0.05 -0.30 -0.09 0.00 0.00 0.00 178.15 177.81 1x1j h ARG 370 N 0.27 -0.59 0.00 2.37 2.43 -0.90 0.24 114.38 118.20 1x1j h ARG 370 Ca 0.17 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1x1j h ARG 370 Cb 0.16 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1x1j h ARG 370 CO -0.19 -0.39 -0.25 -0.07 -1.51 0.00 0.00 179.97 177.56 1x1j h LEU 371 N -0.61 0.00 0.08 3.80 3.38 -0.90 -2.79 115.31 118.27 1x1j h LEU 371 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1x1j h LEU 371 Cb 0.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.34 1x1j h LEU 371 CO -0.07 0.25 -0.73 0.00 0.09 0.00 0.00 178.44 177.98 1x1j h ALA 372 N 1.75 -0.01 -0.68 1.53 0.00 0.18 -3.03 119.26 119.00 1x1j h ALA 372 Ca -0.00 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.28 1x1j h ALA 372 Cb 0.55 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1x1j h ALA 372 CO 0.03 0.38 0.45 0.87 0.00 0.00 0.00 179.25 180.98 1x1j h LYS 373 N -0.22 0.87 -0.39 0.00 1.79 -0.48 0.13 116.57 118.28 1x1j h LYS 373 Ca -0.11 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1x1j h LYS 373 Cb 1.50 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1x1j h LYS 373 CO 0.14 0.58 0.14 0.00 -1.08 0.00 0.00 179.45 179.22 1x1j h ALA 374 N 1.58 1.52 0.07 3.86 0.00 -1.53 0.33 119.26 125.09 1x1j h ALA 374 Ca 0.25 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1x1j h ALA 374 Cb -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.57 1x1j h ALA 374 CO -0.06 0.37 -0.64 0.82 0.00 0.00 0.00 179.25 179.74 1x1j h ILE 375 N 0.55 1.50 -0.52 0.00 2.04 -0.93 -3.15 117.51 117.00 1x1j h ILE 375 Ca 0.13 -2.31 -0.09 0.00 1.00 0.00 0.00 64.86 63.59 1x1j h ILE 375 Cb 0.14 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1x1j h ILE 375 CO -0.01 0.66 -0.05 0.58 0.00 0.00 0.00 178.15 179.32 1x1j h VAL 376 N -0.33 1.26 -0.06 1.67 2.07 -0.58 -2.78 116.25 117.50 1x1j h VAL 376 Ca -0.10 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1x1j h VAL 376 Cb 1.43 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1x1j h VAL 376 CO 0.12 0.41 0.00 0.47 0.02 0.00 0.00 177.57 178.59 1x1j n ASP 377 N -4.17 0.51 -4.47 0.57 8.00 0.11 -4.72 116.55 112.39 1x1j n ASP 377 Ca 0.02 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.49 1x1j n ASP 377 Cb 0.36 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 1x1j n ASP 377 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x1j s ASP 378 N -1.47 6.23 0.64 -2.24 -1.08 -1.05 -4.94 116.67 112.77 1x1j s ASP 378 Ca 0.25 -0.76 0.42 0.00 -0.52 0.00 0.00 52.55 51.94 1x1j s ASP 378 Cb 0.12 -2.27 2.19 0.00 -1.46 0.00 0.00 42.92 41.50 1x1j s ASP 378 CO 0.19 -0.77 2.29 1.55 0.52 0.00 0.00 175.17 178.95 1x1j h PRO 379 N 8.89 0.00 0.00 4.34 0.13 -1.87 -1.69 132.00 141.80 1x1j h PRO 379 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1x1j h PRO 379 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x1j h PRO 379 CO 0.90 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.54 1x1j n SER 380 N -3.08 0.26 -4.52 1.44 3.41 -1.26 -4.65 113.62 105.22 1x1j n SER 380 Ca -0.02 0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 1x1j n SER 380 Cb 0.12 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.36 1x1j n SER 380 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x1j s ILE 381 N -3.04 4.95 0.00 -1.33 1.01 -0.64 -5.08 121.20 117.08 1x1j s ILE 381 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1x1j s ILE 381 Cb 0.16 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1x1j s ILE 381 CO 0.53 0.20 0.22 0.00 0.00 0.00 0.00 174.94 175.89 1x1j s ALA 382 N 1.70 3.92 0.28 9.38 0.00 -1.26 -4.91 121.76 130.86 1x1j s ALA 382 Ca 0.06 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 1x1j s ALA 382 Cb -0.16 -1.95 -0.11 0.00 0.00 0.00 0.00 23.12 20.90 1x1j s ALA 382 CO 0.08 0.71 1.52 -2.14 0.00 0.00 0.00 175.76 175.93 1x1j s PRO 383 N -1.91 4.19 0.92 0.00 0.02 -1.26 -4.52 135.00 132.43 1x1j s PRO 383 Ca 0.28 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1x1j s PRO 383 Cb -0.13 -3.06 0.14 0.00 0.02 0.00 0.00 34.50 31.48 1x1j s PRO 383 CO 0.18 -0.53 1.10 0.00 -0.33 0.00 0.00 177.00 177.42 1x1j s ALA 384 N -0.05 1.34 0.57 -1.55 0.00 -0.22 -4.93 121.76 116.93 1x1j s ALA 384 Ca 0.61 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 1x1j s ALA 384 Cb -0.45 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1x1j s ALA 384 CO 0.46 -2.61 1.09 0.00 0.00 0.00 0.00 175.76 174.71 1x1j s ALA 385 N -2.76 2.68 0.43 0.00 0.00 -1.26 -4.85 121.76 116.01 1x1j s ALA 385 Ca 0.65 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 1x1j s ALA 385 Cb -0.20 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1x1j s ALA 385 CO 0.58 -0.82 1.13 0.00 0.00 0.00 0.00 175.76 176.65 1x1j s ALA 386 N -2.10 3.04 0.51 0.00 0.00 -1.26 -4.97 121.76 116.97 1x1j s ALA 386 Ca 0.68 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.28 1x1j s ALA 386 Cb -0.20 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1x1j s ALA 386 CO 0.31 -0.49 1.25 -1.25 0.00 0.00 0.00 175.76 175.58 1x1j s PRO 387 N -2.58 3.43 -0.26 0.00 0.04 -1.26 -5.00 135.00 129.37 1x1j s PRO 387 Ca 0.61 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.58 1x1j s PRO 387 Cb -0.27 -2.30 0.11 0.00 0.04 0.00 0.00 34.50 32.09 1x1j s PRO 387 CO 0.33 -0.87 0.21 1.21 0.04 0.00 0.00 177.00 177.91 1x1j s ASN 388 N -1.23 2.24 -0.02 6.66 3.04 -1.26 -4.38 114.94 120.00 1x1j s ASN 388 Ca 0.68 -0.78 -0.26 0.00 0.04 0.00 0.00 52.86 52.54 1x1j s ASN 388 Cb -0.33 0.15 0.09 0.00 -1.54 0.00 0.00 41.25 39.61 1x1j s ASN 388 CO 0.40 -0.39 1.18 0.00 -3.04 0.00 0.00 177.10 175.25 1x1j n LEU 389 N 5.29 0.00 -4.09 3.21 -0.00 -0.73 -4.94 117.00 115.74 1x1j n LEU 389 Ca -0.05 -0.40 -0.26 0.00 -0.00 0.00 0.00 56.01 55.30 1x1j n LEU 389 Cb 0.46 1.75 -0.16 0.00 -0.00 0.00 0.00 43.42 45.46 1x1j n LEU 389 CO 0.04 -0.13 -0.49 -0.47 -0.00 0.00 0.00 177.39 176.34 1x1j s TYR 390 N -2.11 1.70 -0.01 1.47 5.04 -0.36 -0.39 117.35 122.69 1x1j s TYR 390 Ca 0.28 -0.60 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 1x1j s TYR 390 Cb -0.01 -1.19 -0.00 0.00 0.35 0.00 0.00 41.96 41.11 1x1j s TYR 390 CO -0.00 -0.26 -0.05 0.21 -1.34 0.00 0.00 175.55 174.10 1x1j s LYS 391 N 0.41 0.48 -0.36 4.97 2.20 0.12 -4.41 119.74 123.15 1x1j s LYS 391 Ca -0.12 -0.19 -0.09 0.00 -0.36 0.00 0.00 55.97 55.22 1x1j s LYS 391 Cb -0.15 -0.48 0.04 0.00 -1.51 0.00 0.00 37.83 35.73 1x1j s LYS 391 CO 0.04 0.10 0.16 -1.14 -0.36 0.00 0.00 175.35 174.15 1x1j s GLN 392 N -0.02 2.71 -1.22 4.03 2.00 -1.26 -1.17 119.66 124.73 1x1j s GLN 392 Ca 0.01 -1.15 -0.10 0.00 -2.00 0.00 0.00 55.36 52.12 1x1j s GLN 392 Cb -0.04 -3.61 0.20 0.00 0.80 0.00 0.00 33.01 30.36 1x1j s GLN 392 CO -0.00 -0.70 1.65 0.66 -0.50 0.00 0.00 175.29 176.40 1x1j n TYR 393 N 4.91 3.57 -0.32 1.67 4.02 0.16 -4.81 117.16 126.35 1x1j n TYR 393 Ca -0.12 -2.99 0.06 0.00 -0.01 0.00 0.00 57.90 54.83 1x1j n TYR 393 Cb 0.45 -1.90 0.25 0.00 -0.02 0.00 0.00 39.34 38.12 1x1j n TYR 393 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x1j h ALA 394 N 6.14 1.54 0.00 -0.72 0.00 -1.88 -1.90 119.26 122.45 1x1j h ALA 394 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1x1j h ALA 394 Cb 0.71 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x1j h ALA 394 CO 1.44 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 180.92 1x1j h ALA 395 N 1.52 1.14 -0.01 0.00 0.00 -1.87 -3.11 119.26 116.93 1x1j h ALA 395 Ca 0.43 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1x1j h ALA 395 Cb 0.34 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.95 1x1j h ALA 395 CO -0.19 0.05 -0.73 0.00 0.00 0.00 0.00 179.25 178.38 1x1j n MET 396 N -3.33 0.94 -4.31 0.00 0.00 -0.87 -4.95 117.12 104.60 1x1j n MET 396 Ca -0.02 -2.77 -0.34 0.00 0.00 0.00 0.00 57.70 54.57 1x1j n MET 396 Cb 0.18 -0.95 -0.07 0.00 0.00 0.00 0.00 33.22 32.39 1x1j n MET 396 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1x1j n ASP 397 N -0.43 -0.58 -4.21 3.17 8.00 -0.96 -4.72 116.55 116.82 1x1j n ASP 397 Ca 0.14 -1.19 -0.17 0.00 0.71 0.00 0.00 54.79 54.28 1x1j n ASP 397 Cb 0.89 -2.00 -0.11 0.00 -0.02 0.00 0.00 41.12 39.88 1x1j n ASP 397 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x1j s ARG 398 N -7.15 0.93 0.03 -1.24 1.81 -0.77 -1.48 118.95 111.09 1x1j s ARG 398 Ca 0.33 -1.18 -0.09 0.00 -1.72 0.00 0.00 55.73 53.07 1x1j s ARG 398 Cb -0.19 -0.75 0.00 0.00 -0.45 0.00 0.00 34.95 33.56 1x1j s ARG 398 CO 0.98 0.14 0.18 0.00 -0.68 0.00 0.00 175.30 175.91 1x1j s ALA 399 N -2.16 -0.32 -0.04 2.13 0.00 -0.95 0.39 121.76 120.81 1x1j s ALA 399 Ca 0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 1x1j s ALA 399 Cb -0.05 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1x1j s ALA 399 CO 0.02 -0.33 0.23 0.54 0.00 0.00 0.00 175.76 176.21 1x1j s VAL 400 N -2.40 0.04 -0.11 0.00 0.11 -0.32 -1.46 120.40 116.26 1x1j s VAL 400 Ca -0.06 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 1x1j s VAL 400 Cb -0.02 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1x1j s VAL 400 CO -0.03 -0.18 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.18 1x1j s LEU 401 N -0.68 1.76 -0.15 2.54 2.96 0.05 -0.70 118.68 124.47 1x1j s LEU 401 Ca -0.08 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1x1j s LEU 401 Cb -0.04 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.54 1x1j s LEU 401 CO 0.02 0.03 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.79 1x1j s GLN 402 N 0.93 3.12 0.16 1.98 -1.52 0.48 -0.28 119.66 124.52 1x1j s GLN 402 Ca -0.08 -0.81 -0.01 0.00 -1.95 0.00 0.00 55.36 52.52 1x1j s GLN 402 Cb -0.15 -2.52 -0.04 0.00 -0.22 0.00 0.00 33.01 30.08 1x1j s GLN 402 CO -0.01 0.01 0.08 1.03 -0.25 0.00 0.00 175.29 176.16 1x1j s ARG 403 N 0.79 1.03 -0.03 2.91 1.81 0.17 -1.77 118.95 123.87 1x1j s ARG 403 Ca -0.07 -1.51 -0.30 0.00 -1.72 0.00 0.00 55.73 52.13 1x1j s ARG 403 Cb -0.16 0.25 -0.06 0.00 -0.45 0.00 0.00 34.95 34.53 1x1j s ARG 403 CO -0.01 -0.31 1.72 -2.14 -0.68 0.00 0.00 175.30 173.89 1x1j s PRO 404 N -4.09 4.17 0.00 3.54 0.02 -1.26 -2.13 135.00 135.25 1x1j s PRO 404 Ca 0.30 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1x1j s PRO 404 Cb 0.07 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.59 1x1j s PRO 404 CO 0.06 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 1x1j n GLY 405 N 4.21 1.83 3.73 0.52 0.00 -1.26 -5.03 105.19 109.19 1x1j n GLY 405 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1x1j n GLY 405 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1j s PHE 406 N -2.39 -0.18 -0.13 1.61 -0.12 -0.91 -4.43 117.98 111.43 1x1j s PHE 406 Ca 0.00 -0.13 -0.11 0.00 -0.05 0.00 0.00 56.93 56.64 1x1j s PHE 406 Cb 0.00 0.64 0.04 0.00 -0.63 0.00 0.00 43.02 43.07 1x1j s PHE 406 CO 0.00 -0.86 0.34 0.00 -0.05 0.00 0.00 175.22 174.65 1x1j s ALA 407 N -3.38 -0.85 -0.15 1.99 0.00 -0.61 -0.66 121.76 118.11 1x1j s ALA 407 Ca 0.11 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1x1j s ALA 407 Cb -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1x1j s ALA 407 CO 0.01 -0.18 -0.21 -1.17 0.00 0.00 0.00 175.76 174.21 1x1j s LEU 408 N 0.49 2.13 -0.10 0.00 1.98 0.62 -0.07 118.68 123.72 1x1j s LEU 408 Ca -0.03 -0.60 -0.02 0.00 -2.89 0.00 0.00 54.13 50.59 1x1j s LEU 408 Cb -0.04 -1.45 -0.03 0.00 0.66 0.00 0.00 46.19 45.32 1x1j s LEU 408 CO -0.03 0.07 -0.02 -0.83 -1.89 0.00 0.00 176.35 173.66 1x1j s GLY 409 N 0.87 1.79 -0.13 7.98 0.00 0.82 -0.77 107.32 117.88 1x1j s GLY 409 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1x1j s GLY 409 CO -0.03 -0.47 -0.19 -2.27 0.00 0.00 0.00 173.10 170.14 1x1j s LEU 410 N -0.57 1.95 -0.21 0.66 2.96 -0.54 -0.03 118.68 122.90 1x1j s LEU 410 Ca 0.09 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1x1j s LEU 410 Cb -0.12 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 1x1j s LEU 410 CO 0.02 0.04 -0.08 0.00 -1.32 0.00 0.00 176.35 175.01 1x1j s ALA 411 N 0.96 2.69 0.42 5.97 0.00 -0.46 -2.24 121.76 129.11 1x1j s ALA 411 Ca -0.05 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1x1j s ALA 411 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1x1j s ALA 411 CO -0.03 -0.37 0.04 -0.51 0.00 0.00 0.00 175.76 174.89 1x1j s LEU 412 N 1.36 2.35 0.16 0.00 1.43 -0.55 -0.97 118.68 122.46 1x1j s LEU 412 Ca 0.05 -1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 51.56 1x1j s LEU 412 Cb -0.14 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1x1j s LEU 412 CO -0.05 -0.71 0.21 -0.72 0.23 0.00 0.00 176.35 175.31 1x1j s TYR 413 N -3.01 0.56 0.00 0.29 -0.00 -1.00 -4.75 117.35 109.45 1x1j s TYR 413 Ca 0.24 -0.93 0.00 0.00 -0.00 0.00 0.00 57.07 56.39 1x1j s TYR 413 Cb 0.06 -0.20 0.00 0.00 -0.00 0.00 0.00 41.96 41.82 1x1j s TYR 413 CO 0.12 -0.66 0.00 -1.13 -0.00 0.00 0.00 175.55 173.88 1x1j n SER 414 N -0.18 0.00 0.21 -0.18 3.41 -0.25 -4.88 113.62 111.75 1x1j n SER 414 Ca -0.06 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 1x1j n SER 414 Cb 0.63 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.04 1x1j n SER 414 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1x1j h THR 415 N 0.00 0.00 0.03 6.66 1.35 -1.49 0.72 112.91 120.18 1x1j h THR 415 Ca 0.00 -0.61 -0.37 0.00 -0.55 0.00 0.00 66.41 64.88 1x1j h THR 415 Cb 0.00 1.57 -0.06 0.00 -1.73 0.00 0.00 68.15 67.93 1x1j h THR 415 CO 0.00 0.00 -2.25 0.54 -0.25 0.00 0.00 175.52 173.56 1x1j n ARG 416 N -2.85 0.68 -5.11 4.72 1.74 -1.26 -4.74 116.66 109.84 1x1j n ARG 416 Ca 0.03 0.16 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 1x1j n ARG 416 Cb 0.38 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.07 1x1j n ARG 416 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x1j s ILE 417 N -2.53 2.43 0.56 0.55 -1.09 -1.23 -4.62 121.20 115.27 1x1j s ILE 417 Ca -0.23 -0.93 -0.18 0.00 -2.23 0.00 0.00 60.65 57.09 1x1j s ILE 417 Cb 0.08 -1.92 -0.05 0.00 -1.58 0.00 0.00 42.46 38.98 1x1j s ILE 417 CO 0.72 0.57 1.07 -0.44 -1.23 0.00 0.00 174.94 175.63 1x1j s SER 418 N -0.20 5.88 0.21 3.58 0.01 0.46 -1.09 113.70 122.54 1x1j s SER 418 Ca -0.02 1.93 -0.09 0.00 1.31 0.00 0.00 55.95 59.09 1x1j s SER 418 Cb -0.13 -2.55 0.28 0.00 0.21 0.00 0.00 66.02 63.82 1x1j s SER 418 CO 0.03 -1.10 1.78 0.77 0.41 0.00 0.00 173.24 175.13 1x1j h SER 419 N 0.88 0.41 -4.09 2.44 4.64 -1.55 -3.45 113.55 112.82 1x1j h SER 419 Ca -0.48 0.05 0.31 0.00 -0.47 0.00 0.00 61.79 61.20 1x1j h SER 419 Cb 1.23 -0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 63.11 1x1j h SER 419 CO 0.57 0.25 0.94 -0.72 -0.87 0.00 0.00 176.83 177.00 1x1j s TYR 420 N -6.08 -0.04 -0.09 4.77 1.13 -1.26 -3.73 117.35 112.04 1x1j s TYR 420 Ca -0.13 0.03 -0.00 0.00 -1.41 0.00 0.00 57.07 55.56 1x1j s TYR 420 Cb 0.17 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.51 1x1j s TYR 420 CO 0.75 -0.07 -0.07 -2.00 -2.51 0.00 0.00 175.55 171.66 1x1j s GLU 421 N -2.14 2.99 -0.27 -3.49 2.12 -1.26 -4.36 118.70 112.28 1x1j s GLU 421 Ca 0.11 -0.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 1x1j s GLU 421 Cb -0.01 -2.66 0.14 0.00 0.26 0.00 0.00 34.13 31.85 1x1j s GLU 421 CO -0.03 0.54 0.33 0.45 -0.54 0.00 0.00 175.26 176.02 1x1j s SER 422 N -0.48 0.99 0.19 -1.70 0.15 -1.26 -4.09 113.70 107.50 1x1j s SER 422 Ca 0.07 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1x1j s SER 422 Cb -0.12 0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 64.92 1x1j s SER 422 CO 0.02 -0.35 0.01 0.27 1.20 0.00 0.00 173.24 174.39 1x1j s ILE 423 N 2.44 0.69 -1.32 6.45 -4.36 -1.23 -4.84 121.20 119.04 1x1j s ILE 423 Ca 0.10 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.42 1x1j s ILE 423 Cb -0.14 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.43 1x1j s ILE 423 CO -0.26 -0.41 0.50 0.59 0.24 0.00 0.00 174.94 175.60 1x1j n ASN 424 N -0.28 -4.03 -1.52 4.36 3.02 -1.26 -1.03 115.26 114.52 1x1j n ASN 424 Ca -0.06 -0.37 -0.16 0.00 -0.03 0.00 0.00 54.58 53.96 1x1j n ASN 424 Cb 0.64 -3.32 -0.04 0.00 -0.61 0.00 0.00 39.78 36.44 1x1j n ASN 424 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x1j n SER 425 N -2.31 -4.95 -4.64 6.41 7.64 -1.26 -4.77 113.62 109.73 1x1j n SER 425 Ca -0.03 0.23 -0.33 0.00 1.01 0.00 0.00 58.87 59.75 1x1j n SER 425 Cb 0.55 -3.96 -0.10 0.00 -1.01 0.00 0.00 64.21 59.69 1x1j n SER 425 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x1j s GLU 426 N -3.98 2.76 -1.13 1.43 2.02 -0.20 -1.27 118.70 118.34 1x1j s GLU 426 Ca 0.00 -0.59 -0.00 0.00 0.02 0.00 0.00 54.97 54.40 1x1j s GLU 426 Cb 0.00 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 1x1j s GLU 426 CO 0.00 0.64 0.94 -1.71 0.02 0.00 0.00 175.26 175.15 1x1j n ASN 427 N 1.72 -2.05 0.16 -0.19 4.05 0.13 -3.54 115.26 115.54 1x1j n ASN 427 Ca -0.16 -0.58 0.13 0.00 0.45 0.00 0.00 54.58 54.42 1x1j n ASN 427 Cb 0.53 -4.85 0.53 0.00 1.23 0.00 0.00 39.78 37.22 1x1j n ASN 427 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1x1j h GLY 428 N -1.78 0.00 -2.04 8.20 0.00 -1.80 -2.98 103.07 102.67 1x1j h GLY 428 Ca -0.55 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.57 1x1j h GLY 428 CO 0.47 0.00 -0.62 0.54 0.00 0.00 0.00 176.54 176.93 1x1j n ARG 429 N -2.41 2.36 -0.00 4.80 1.74 -1.26 -4.70 116.66 117.19 1x1j n ARG 429 Ca 0.02 -3.64 0.15 0.00 -0.77 0.00 0.00 57.85 53.61 1x1j n ARG 429 Cb 0.25 -1.87 0.80 0.00 -1.02 0.00 0.00 32.46 30.62 1x1j n ARG 429 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x1j n GLY 430 N -0.96 -0.68 0.03 -0.13 0.00 -1.13 -4.65 105.19 97.67 1x1j n GLY 430 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1x1j n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x1j n TRP 431 N -0.62 -0.03 -0.36 1.61 8.01 -1.26 -1.36 117.44 123.42 1x1j n TRP 431 Ca 0.22 0.09 0.10 0.00 -1.31 0.00 0.00 57.50 56.59 1x1j n TRP 431 Cb 0.19 -0.28 0.28 0.00 -2.01 0.00 0.00 31.31 29.48 1x1j n TRP 431 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1x1j n TYR 432 N -3.10 0.89 0.19 -5.99 4.01 -1.26 -4.51 117.16 107.38 1x1j n TYR 432 Ca 0.00 -0.52 0.02 0.00 -0.16 0.00 0.00 57.90 57.24 1x1j n TYR 432 Cb 0.02 -0.04 0.11 0.00 -0.31 0.00 0.00 39.34 39.12 1x1j n TYR 432 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1x1j n THR 433 N 1.22 1.40 -2.23 -0.72 -2.24 -0.47 -2.21 114.28 109.03 1x1j n THR 433 Ca 0.21 0.35 0.03 0.00 -2.27 0.00 0.00 64.05 62.37 1x1j n THR 433 Cb 0.60 -1.27 0.02 0.00 -2.10 0.00 0.00 70.33 67.59 1x1j n THR 433 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1j n GLY 434 N -0.95 1.12 2.78 3.38 0.00 -1.24 -4.74 105.19 105.52 1x1j n GLY 434 Ca 0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1x1j n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j n ALA 435 N 0.18 4.92 -1.79 4.61 0.00 -0.94 -2.37 120.51 125.12 1x1j n ALA 435 Ca 0.05 -4.71 -0.00 0.00 0.00 0.00 0.00 53.44 48.77 1x1j n ALA 435 Cb 0.94 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.18 1x1j n ALA 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1j n GLY 436 N 0.13 0.37 3.73 0.00 0.00 -0.14 -4.49 105.19 104.79 1x1j n GLY 436 Ca 0.34 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1x1j n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j s ALA 437 N -2.01 3.30 -0.13 4.61 0.00 -0.96 -3.25 121.76 123.32 1x1j s ALA 437 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 1x1j s ALA 437 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1x1j s ALA 437 CO 0.00 -0.03 0.03 0.95 0.00 0.00 0.00 175.76 176.71 1x1j s THR 438 N 0.25 4.50 -0.19 0.00 -4.23 -0.41 -1.35 115.64 114.21 1x1j s THR 438 Ca 0.43 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1x1j s THR 438 Cb -0.21 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.71 1x1j s THR 438 CO 0.25 0.55 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.39 1x1j s TYR 439 N -0.31 2.80 -0.23 3.99 1.51 0.95 -4.60 117.35 121.47 1x1j s TYR 439 Ca 0.07 -1.75 -0.08 0.00 -1.01 0.00 0.00 57.07 54.30 1x1j s TYR 439 Cb -0.12 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1x1j s TYR 439 CO 0.02 -0.81 0.09 -1.17 -1.11 0.00 0.00 175.55 172.57 1x1j s LEU 440 N 1.28 3.72 -0.20 -1.29 2.96 -1.26 -0.13 118.68 123.76 1x1j s LEU 440 Ca 0.02 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1x1j s LEU 440 Cb -0.15 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1x1j s LEU 440 CO -0.11 0.05 0.00 -0.31 -1.32 0.00 0.00 176.35 174.67 1x1j s TYR 441 N 1.11 3.06 0.00 5.38 2.02 0.90 -4.98 117.35 124.83 1x1j s TYR 441 Ca 0.05 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1x1j s TYR 441 Cb -0.14 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 1x1j s TYR 441 CO 0.04 -0.19 0.00 0.27 -1.57 0.00 0.00 175.55 174.10 1x1j n ASN 442 N 4.13 0.08 0.00 2.29 2.04 -1.26 -1.57 115.26 120.97 1x1j n ASN 442 Ca -0.17 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.04 1x1j n ASN 442 Cb 0.52 0.00 0.34 0.00 -2.53 0.00 0.00 39.78 38.10 1x1j n ASN 442 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 1x1j n GLN 443 N 0.00 0.17 -2.22 -3.83 -0.06 -0.28 -3.73 117.38 107.43 1x1j n GLN 443 Ca 0.00 0.17 -0.42 0.00 -2.00 0.00 0.00 57.00 54.74 1x1j n GLN 443 Cb 0.00 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 1x1j n GLN 443 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1x1j n ASP 444 N -1.31 4.83 0.04 1.69 4.64 -1.26 -4.79 116.55 120.39 1x1j n ASP 444 Ca 0.06 -3.05 0.21 0.00 -1.38 0.00 0.00 54.79 50.64 1x1j n ASP 444 Cb 0.11 -1.52 0.66 0.00 -1.04 0.00 0.00 41.12 39.33 1x1j n ASP 444 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1x1j h LEU 445 N 8.42 0.00 -0.18 -2.67 3.38 -1.98 -0.82 115.31 121.46 1x1j h LEU 445 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1x1j h LEU 445 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1x1j h LEU 445 CO 1.67 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 180.06 1x1j n ALA 446 N -2.25 2.79 -0.37 1.53 0.00 -1.26 -4.54 120.51 116.41 1x1j n ALA 446 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1x1j n ALA 446 Cb 0.84 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.99 1x1j n ALA 446 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x1j n GLN 447 N -1.07 -0.25 -0.03 0.00 -0.06 -0.31 -0.86 117.38 114.79 1x1j n GLN 447 Ca 0.13 1.45 0.13 0.00 -2.00 0.00 0.00 57.00 56.71 1x1j n GLN 447 Cb 0.29 -2.16 0.32 0.00 -4.06 0.00 0.00 30.24 24.64 1x1j n GLN 447 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1x1j n TYR 448 N -5.37 0.07 -2.41 3.69 4.01 -1.26 -4.73 117.16 111.17 1x1j n TYR 448 Ca 0.09 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1x1j n TYR 448 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1x1j n TYR 448 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x1j n SER 449 N 0.74 0.46 -3.91 7.72 7.64 -0.04 -4.31 113.62 121.92 1x1j n SER 449 Ca 0.17 -0.17 -0.26 0.00 1.01 0.00 0.00 58.87 59.61 1x1j n SER 449 Cb 0.46 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1x1j n SER 449 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x1j n GLU 450 N -0.13 -4.05 -3.44 1.43 1.02 -1.26 -2.66 120.64 111.55 1x1j n GLU 450 Ca 0.00 0.49 -0.20 0.00 -0.02 0.00 0.00 57.16 57.42 1x1j n GLU 450 Cb 0.00 -4.91 0.07 0.00 -0.02 0.00 0.00 31.44 26.58 1x1j n GLU 450 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x1j n ASP 451 N -2.94 -5.33 -0.06 1.62 9.92 -1.26 -4.94 116.55 113.55 1x1j n ASP 451 Ca -0.21 -0.49 -0.13 0.00 -0.53 0.00 0.00 54.79 53.44 1x1j n ASP 451 Cb 0.64 -4.51 -0.06 0.00 -0.64 0.00 0.00 41.12 36.54 1x1j n ASP 451 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1x1j h TYR 452 N -2.29 0.47 -0.73 1.24 3.20 -1.69 -3.26 116.97 113.90 1x1j h TYR 452 Ca -0.51 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.19 1x1j h TYR 452 Cb 1.32 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 1x1j h TYR 452 CO 0.43 0.73 0.25 -1.49 -1.64 0.00 0.00 178.16 176.44 1x1j h TRP 453 N 0.08 1.15 -0.00 -3.82 4.06 -1.88 -0.38 115.95 115.15 1x1j h TRP 453 Ca 0.04 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1x1j h TRP 453 Cb 0.62 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1x1j h TRP 453 CO 0.07 0.89 -0.05 -0.35 -3.56 0.00 0.00 178.44 175.44 1x1j n PRO 454 N -4.26 0.70 -0.03 0.49 -0.04 -1.25 -4.16 135.00 126.45 1x1j n PRO 454 Ca 0.06 -0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1x1j n PRO 454 Cb 0.21 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 1x1j n PRO 454 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x1j n THR 455 N -1.02 0.34 -1.86 0.52 -2.24 -1.09 -3.87 114.28 105.06 1x1j n THR 455 Ca 0.16 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 1x1j n THR 455 Cb 0.24 -0.85 0.05 0.00 -2.10 0.00 0.00 70.33 67.67 1x1j n THR 455 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x1j s VAL 456 N -2.12 2.26 -0.63 2.28 0.11 -0.17 -4.70 120.40 117.42 1x1j s VAL 456 Ca -0.03 0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 58.92 1x1j s VAL 456 Cb 0.02 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.78 1x1j s VAL 456 CO 0.19 -0.02 1.69 -0.62 -3.33 0.00 0.00 175.10 173.01 1x1j s ASP 457 N -1.30 5.57 0.31 3.54 -1.08 -1.26 -4.83 116.67 117.62 1x1j s ASP 457 Ca 0.77 0.18 0.21 0.00 -0.52 0.00 0.00 52.55 53.18 1x1j s ASP 457 Cb -0.36 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 39.70 1x1j s ASP 457 CO 0.40 -2.18 1.65 0.00 0.52 0.00 0.00 175.17 175.57 1x1j n ALA 458 N 11.63 1.09 1.22 3.66 0.00 -1.26 -0.94 120.51 135.90 1x1j n ALA 458 Ca 0.16 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.92 1x1j n ALA 458 Cb 0.51 -1.31 0.45 0.00 0.00 0.00 0.00 19.45 19.10 1x1j n ALA 458 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x1j n TYR 459 N -2.24 0.00 -3.24 0.00 4.01 -1.26 -4.38 117.16 110.05 1x1j n TYR 459 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 1x1j n TYR 459 Cb 0.05 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 38.81 1x1j n TYR 459 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1x1j n ARG 460 N -1.03 1.83 -2.56 -0.72 1.74 -0.12 -4.72 116.66 111.07 1x1j n ARG 460 Ca 0.11 -4.04 -0.42 0.00 -0.77 0.00 0.00 57.85 52.73 1x1j n ARG 460 Cb 0.32 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 1x1j n ARG 460 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x1j s ILE 461 N -2.37 4.33 0.28 0.55 -1.09 -1.26 -4.74 121.20 116.90 1x1j s ILE 461 Ca 0.40 1.74 -0.28 0.00 -2.23 0.00 0.00 60.65 60.28 1x1j s ILE 461 Cb 0.21 -4.12 -0.14 0.00 -1.58 0.00 0.00 42.46 36.83 1x1j s ILE 461 CO -0.07 0.18 0.96 -2.65 -1.23 0.00 0.00 174.94 172.12 1x1j n PRO 462 N 3.55 1.22 0.00 2.79 -0.02 -1.26 -2.41 135.00 138.87 1x1j n PRO 462 Ca 0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1x1j n PRO 462 Cb 0.48 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1x1j n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1j n GLY 463 N 1.30 3.00 3.88 -1.23 0.00 0.24 -1.28 105.19 111.09 1x1j n GLY 463 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1x1j n GLY 463 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x1j s THR 464 N -1.18 3.77 -0.12 2.61 -4.23 -1.01 -4.69 115.64 110.80 1x1j s THR 464 Ca 0.00 0.57 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1x1j s THR 464 Cb 0.00 -3.57 0.02 0.00 1.34 0.00 0.00 72.50 70.29 1x1j s THR 464 CO 0.00 -0.75 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.31 1x1j s THR 465 N -3.31 1.39 0.25 3.99 2.01 -1.26 0.02 115.64 118.73 1x1j s THR 465 Ca 0.57 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1x1j s THR 465 Cb -0.11 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1x1j s THR 465 CO 0.52 0.42 0.37 0.68 -0.69 0.00 0.00 174.62 175.92 1x1j s VAL 466 N 1.27 0.00 -0.22 3.82 -7.23 -0.03 -4.99 120.40 113.02 1x1j s VAL 466 Ca -0.01 -1.63 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 1x1j s VAL 466 Cb -0.14 -2.37 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 1x1j s VAL 466 CO -0.05 0.00 0.87 0.00 -0.31 0.00 0.00 175.10 175.61 1x1j s ALA 467 N -3.89 3.62 -0.05 1.32 0.00 -1.26 -1.36 121.76 120.14 1x1j s ALA 467 Ca 0.29 -0.03 -0.40 0.00 0.00 0.00 0.00 51.96 51.82 1x1j s ALA 467 Cb 0.02 -3.33 -0.19 0.00 0.00 0.00 0.00 23.12 19.62 1x1j s ALA 467 CO 0.12 -0.88 1.22 0.45 0.00 0.00 0.00 175.76 176.67 1x1j n SER 468 N 5.87 0.60 -1.39 0.00 2.88 0.25 -1.32 113.62 120.51 1x1j n SER 468 Ca 0.07 1.15 -0.14 0.00 -1.33 0.00 0.00 58.87 58.61 1x1j n SER 468 Cb 0.48 -0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 62.89 1x1j n SER 468 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1j n GLY 469 N 2.13 1.37 3.47 0.46 0.00 -1.26 -4.91 105.19 106.45 1x1j n GLY 469 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1x1j n GLY 469 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1j s THR 470 N -2.21 3.36 0.69 2.61 2.01 -0.44 -5.08 115.64 116.59 1x1j s THR 470 Ca 0.00 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1x1j s THR 470 Cb 0.00 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 70.19 1x1j s THR 470 CO 0.00 0.55 0.99 -2.16 -0.69 0.00 0.00 174.62 173.31 1x1j s PRO 471 N -0.20 2.12 0.25 4.92 0.04 -1.26 -4.68 135.00 136.19 1x1j s PRO 471 Ca 0.01 -0.43 0.04 0.00 0.04 0.00 0.00 61.00 60.66 1x1j s PRO 471 Cb -0.13 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1x1j s PRO 471 CO 0.03 -1.24 0.00 0.96 0.04 0.00 0.00 177.00 176.80 1x1j s ILE 472 N -3.19 1.08 0.63 0.56 -4.36 -1.26 -4.87 121.20 109.79 1x1j s ILE 472 Ca 0.61 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.87 1x1j s ILE 472 Cb -0.10 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 1x1j s ILE 472 CO 0.44 -0.27 1.00 0.00 0.24 0.00 0.00 174.94 176.34 1x1j s ALA 473 N -3.38 3.10 -0.40 2.27 0.00 -1.26 -4.85 121.76 117.24 1x1j s ALA 473 Ca 0.30 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.65 1x1j s ALA 473 Cb 0.06 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1x1j s ALA 473 CO 0.10 -0.85 0.77 0.45 0.00 0.00 0.00 175.76 176.23 1x1j s SER 474 N -4.27 6.48 0.00 0.00 0.15 -1.26 -4.77 113.70 110.03 1x1j s SER 474 Ca 0.55 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1x1j s SER 474 Cb -0.11 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1x1j s SER 474 CO 0.50 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x1j n GLY 475 N 4.72 0.80 3.83 9.45 0.00 -1.26 -4.95 105.19 117.78 1x1j n GLY 475 Ca 0.02 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1x1j n GLY 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x1j s THR 476 N -2.00 4.03 0.04 2.61 -4.23 -1.26 -1.43 115.64 113.39 1x1j s THR 476 Ca 0.00 0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1x1j s THR 476 Cb 0.00 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.39 1x1j s THR 476 CO 0.00 -0.86 0.05 0.61 -0.54 0.00 0.00 174.62 173.88 1x1j n GLY 477 N -2.18 0.46 0.51 3.99 0.00 0.25 -4.89 105.19 103.33 1x1j n GLY 477 Ca 0.07 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.24 1x1j n GLY 477 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1j n THR 478 N -1.55 0.15 -4.42 2.61 -2.24 -1.26 -3.77 114.28 103.80 1x1j n THR 478 Ca 0.01 -0.57 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 1x1j n THR 478 Cb 0.03 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 1x1j n THR 478 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x1j s SER 479 N -1.00 5.03 0.02 3.42 0.01 -1.26 -4.91 113.70 115.01 1x1j s SER 479 Ca 0.16 0.04 0.22 0.00 1.31 0.00 0.00 55.95 57.68 1x1j s SER 479 Cb 0.10 -1.50 -0.07 0.00 0.21 0.00 0.00 66.02 64.77 1x1j s SER 479 CO 0.15 0.32 0.93 -1.54 0.41 0.00 0.00 173.24 173.51 1x1j n SER 480 N 2.54 0.63 -4.58 2.44 3.41 -1.26 -1.98 113.62 114.83 1x1j n SER 480 Ca -0.18 -0.43 -0.40 0.00 -0.26 0.00 0.00 58.87 57.59 1x1j n SER 480 Cb 0.53 1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 65.48 1x1j n SER 480 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1x1j s TRP 481 N -3.17 2.62 -0.08 7.33 -0.00 -1.26 -3.87 118.94 120.51 1x1j s TRP 481 Ca 0.04 -1.20 -0.03 0.00 -0.00 0.00 0.00 56.10 54.90 1x1j s TRP 481 Cb 0.15 -4.64 0.05 0.00 -0.00 0.00 0.00 33.47 29.03 1x1j s TRP 481 CO 0.83 -1.75 0.17 0.99 -0.00 0.00 0.00 176.95 177.19 1x1j s THR 482 N 5.31 -0.22 -3.08 5.86 2.01 -1.26 -1.38 115.64 122.88 1x1j s THR 482 Ca 0.55 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1x1j s THR 482 Cb 0.03 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1x1j s THR 482 CO 0.06 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 1x1j n GLY 483 N 5.07 -0.10 0.00 4.40 0.00 -0.94 -4.66 105.19 108.96 1x1j n GLY 483 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1x1j n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1j n GLY 484 N 0.00 -1.23 3.32 -0.02 0.00 -1.26 -0.57 105.19 105.43 1x1j n GLY 484 Ca 0.00 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1x1j n GLY 484 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1j s VAL 485 N -3.00 1.92 -0.12 1.61 0.11 0.02 -4.76 120.40 116.18 1x1j s VAL 485 Ca 0.00 -1.52 0.03 0.00 -2.93 0.00 0.00 61.98 57.56 1x1j s VAL 485 Cb 0.00 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 1x1j s VAL 485 CO 0.00 0.09 -0.23 -0.55 -3.33 0.00 0.00 175.10 171.08 1x1j s SER 486 N -1.72 3.10 -0.80 3.54 0.15 -1.26 -1.50 113.70 115.21 1x1j s SER 486 Ca 0.10 -0.58 -0.15 0.00 0.70 0.00 0.00 55.95 56.02 1x1j s SER 486 Cb -0.10 -1.42 0.20 0.00 -1.71 0.00 0.00 66.02 62.98 1x1j s SER 486 CO 0.04 0.12 0.77 -0.22 1.20 0.00 0.00 173.24 175.15 1x1j s LEU 487 N 0.56 6.50 -1.95 3.45 2.96 0.43 -4.52 118.68 126.11 1x1j s LEU 487 Ca -0.13 -2.49 0.00 0.00 -0.22 0.00 0.00 54.13 51.29 1x1j s LEU 487 Cb -0.17 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1x1j s LEU 487 CO 0.04 -0.67 0.00 0.00 -1.32 0.00 0.00 176.35 174.40 1x1j n ALA 488 N 4.43 -0.46 -1.17 5.97 0.00 -1.26 -1.43 120.51 126.58 1x1j n ALA 488 Ca 0.11 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.74 1x1j n ALA 488 Cb 0.46 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1x1j n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1j n GLY 489 N -0.67 0.69 0.16 0.00 0.00 -1.26 -4.83 105.19 99.28 1x1j n GLY 489 Ca -0.22 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1x1j n GLY 489 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x1j n GLN 490 N -1.17 0.58 -4.37 1.61 6.02 -0.52 -1.22 117.38 118.31 1x1j n GLN 490 Ca -0.06 0.20 -0.20 0.00 -0.01 0.00 0.00 57.00 56.93 1x1j n GLN 490 Cb 0.40 -1.46 -0.09 0.00 1.02 0.00 0.00 30.24 30.11 1x1j n GLN 490 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1x1j s TYR 491 N -2.49 1.66 0.02 1.08 1.51 -1.18 -4.22 117.35 113.74 1x1j s TYR 491 Ca -0.35 -1.32 -0.27 0.00 -1.01 0.00 0.00 57.07 54.12 1x1j s TYR 491 Cb 0.12 -0.95 0.09 0.00 -0.11 0.00 0.00 41.96 41.11 1x1j s TYR 491 CO 0.51 -0.44 1.24 0.20 -1.11 0.00 0.00 175.55 175.96 1x1j s GLY 492 N -3.42 -0.10 -0.17 0.71 0.00 -1.02 -0.42 107.32 102.90 1x1j s GLY 492 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.90 1x1j s GLY 492 CO 0.17 4.82 0.46 0.00 0.00 0.00 0.00 173.10 178.54 1x1j s ALA 493 N -2.07 -1.14 0.28 3.20 0.00 -0.56 -0.32 121.76 121.16 1x1j s ALA 493 Ca 0.27 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.58 1x1j s ALA 493 Cb -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 1x1j s ALA 493 CO 0.00 -0.22 -0.05 -1.12 0.00 0.00 0.00 175.76 174.37 1x1j s SER 494 N 0.20 2.76 0.11 0.00 0.01 0.11 -0.80 113.70 116.09 1x1j s SER 494 Ca -0.00 -1.20 -0.15 0.00 1.31 0.00 0.00 55.95 55.90 1x1j s SER 494 Cb -0.03 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1x1j s SER 494 CO 0.01 -0.36 0.37 -0.83 0.41 0.00 0.00 173.24 172.83 1x1j s GLY 495 N -3.45 -0.21 -0.15 3.44 0.00 0.26 -0.82 107.32 106.38 1x1j s GLY 495 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 1x1j s GLY 495 CO 0.12 -0.37 0.34 -0.29 0.00 0.00 0.00 173.10 172.91 1x1j s MET 496 N -3.72 0.27 -0.65 2.90 1.75 0.85 -2.21 119.30 118.49 1x1j s MET 496 Ca 0.03 0.80 -0.24 0.00 -1.25 0.00 0.00 55.69 55.03 1x1j s MET 496 Cb 0.02 0.05 0.06 0.00 2.84 0.00 0.00 34.83 37.80 1x1j s MET 496 CO -0.11 -0.22 1.02 0.34 -0.65 0.00 0.00 175.02 175.40 1x1j s ASP 497 N 1.98 6.20 0.03 1.11 2.15 -0.48 -1.94 116.67 125.73 1x1j s ASP 497 Ca -0.04 -0.76 -0.26 0.00 0.43 0.00 0.00 52.55 51.91 1x1j s ASP 497 Cb -0.11 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1x1j s ASP 497 CO -0.11 -1.48 0.82 -0.22 -0.17 0.00 0.00 175.17 174.01 1x1j s LEU 498 N 4.37 4.42 -0.33 -1.34 0.20 0.15 -4.72 118.68 121.43 1x1j s LEU 498 Ca 0.26 1.50 -0.00 0.00 0.69 0.00 0.00 54.13 56.58 1x1j s LEU 498 Cb -0.14 -3.32 0.19 0.00 -0.43 0.00 0.00 46.19 42.48 1x1j s LEU 498 CO 0.13 -0.06 0.79 -0.55 -0.29 0.00 0.00 176.35 176.36 1x1j s SER 499 N 0.26 -1.10 0.60 3.68 0.15 -1.25 -1.53 113.70 114.52 1x1j s SER 499 Ca 0.42 -0.19 -0.17 0.00 0.70 0.00 0.00 55.95 56.71 1x1j s SER 499 Cb -0.21 1.54 -0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1x1j s SER 499 CO 0.24 -0.16 1.09 -0.31 1.20 0.00 0.00 173.24 175.30 1x1j s TYR 500 N 2.40 2.76 -0.13 3.44 2.02 -1.03 -4.58 117.35 122.24 1x1j s TYR 500 Ca 0.16 1.54 0.14 0.00 -0.37 0.00 0.00 57.07 58.55 1x1j s TYR 500 Cb -0.04 -3.14 -0.24 0.00 -0.40 0.00 0.00 41.96 38.14 1x1j s TYR 500 CO -0.18 -1.44 0.34 0.41 -1.57 0.00 0.00 175.55 173.11 1x1j n GLY 501 N -0.49 -0.97 0.21 0.71 0.00 -1.26 -4.33 105.19 99.07 1x1j n GLY 501 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1x1j n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j h ALA 502 N 0.95 1.59 -2.95 4.61 0.00 -1.94 -3.45 119.26 118.07 1x1j h ALA 502 Ca -0.43 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1x1j h ALA 502 Cb 2.13 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.79 1x1j h ALA 502 CO 0.05 0.31 0.14 1.52 0.00 0.00 0.00 179.25 181.26 1x1j s TYR 503 N -4.51 -0.23 -0.17 0.00 -0.85 -1.26 -5.07 117.35 105.26 1x1j s TYR 503 Ca -0.04 -0.12 -0.29 0.00 -0.52 0.00 0.00 57.07 56.10 1x1j s TYR 503 Cb 0.15 0.53 -0.00 0.00 0.38 0.00 0.00 41.96 43.02 1x1j s TYR 503 CO 0.71 -1.01 1.09 1.21 -1.52 0.00 0.00 175.55 176.03 1x1j s ASN 504 N -2.86 7.10 -0.30 -0.18 2.47 -1.26 -4.39 114.94 115.52 1x1j s ASN 504 Ca 0.08 1.52 -0.16 0.00 0.42 0.00 0.00 52.86 54.72 1x1j s ASN 504 Cb -0.03 -2.55 0.18 0.00 -1.45 0.00 0.00 41.25 37.41 1x1j s ASN 504 CO -0.02 -0.63 1.11 -0.22 -3.72 0.00 0.00 177.10 173.63 1x1j s LEU 505 N 2.88 -0.32 0.12 3.21 2.96 -1.26 -3.87 118.68 122.39 1x1j s LEU 505 Ca 0.48 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 1x1j s LEU 505 Cb -0.18 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 47.89 1x1j s LEU 505 CO 0.12 -0.07 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.09 1x1j s SER 506 N 1.67 1.20 0.00 3.68 1.04 -0.12 -2.46 113.70 118.71 1x1j s SER 506 Ca -0.05 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1x1j s SER 506 Cb -0.03 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x1j s SER 506 CO -0.14 -0.48 0.00 0.00 0.98 0.00 0.00 173.24 173.60 1x1j n ALA 507 N -0.10 0.00 -3.52 5.32 0.00 -0.58 -1.44 120.51 120.19 1x1j n ALA 507 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 1x1j n ALA 507 Cb 0.61 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 1x1j n ALA 507 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x1j s ARG 508 N -2.00 3.14 -0.12 0.00 1.81 -0.34 -0.67 118.95 120.77 1x1j s ARG 508 Ca 0.00 -0.79 0.03 0.00 -1.72 0.00 0.00 55.73 53.25 1x1j s ARG 508 Cb 0.00 -3.07 -0.00 0.00 -0.45 0.00 0.00 34.95 31.43 1x1j s ARG 508 CO 0.00 -0.31 -0.21 0.15 -0.68 0.00 0.00 175.30 174.25 1x1j s LYS 509 N 1.43 3.11 0.20 3.54 1.02 -0.82 -1.58 119.74 126.64 1x1j s LYS 509 Ca 0.03 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.25 1x1j s LYS 509 Cb -0.16 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 1x1j s LYS 509 CO -0.03 0.14 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.31 1x1j s SER 510 N 0.47 2.34 -0.06 2.83 0.01 -0.13 -0.10 113.70 119.04 1x1j s SER 510 Ca -0.15 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.03 1x1j s SER 510 Cb -0.17 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.00 1x1j s SER 510 CO 0.06 -0.26 0.13 0.26 0.41 0.00 0.00 173.24 173.84 1x1j s TRP 511 N -3.11 -0.14 -0.26 2.43 0.51 -0.00 -1.40 118.94 116.97 1x1j s TRP 511 Ca 0.22 0.44 -0.01 0.00 -2.12 0.00 0.00 56.10 54.64 1x1j s TRP 511 Cb 0.01 -0.12 0.04 0.00 -0.81 0.00 0.00 33.47 32.59 1x1j s TRP 511 CO 0.06 -0.16 -0.07 -0.06 -0.51 0.00 0.00 176.95 176.21 1x1j s PHE 512 N 1.23 3.12 -0.38 -1.98 0.08 0.03 0.09 117.98 120.17 1x1j s PHE 512 Ca -0.08 -1.78 -0.17 0.00 0.12 0.00 0.00 56.93 55.02 1x1j s PHE 512 Cb -0.12 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1x1j s PHE 512 CO -0.06 -0.78 0.44 -1.64 -0.10 0.00 0.00 175.22 173.09 1x1j s MET 513 N 1.26 3.38 0.00 0.44 -1.94 0.56 -1.55 119.30 121.45 1x1j s MET 513 Ca -0.02 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1x1j s MET 513 Cb -0.18 -3.88 0.00 0.00 2.01 0.00 0.00 34.83 32.79 1x1j s MET 513 CO -0.05 -0.71 0.00 1.19 -0.01 0.00 0.00 175.02 175.44 1x1j n PHE 514 N 5.61 0.00 0.02 -0.03 0.99 -0.85 -2.42 117.46 120.78 1x1j n PHE 514 Ca -0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.31 1x1j n PHE 514 Cb 0.48 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.91 1x1j n PHE 514 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 1x1j h ASP 515 N 0.00 -0.14 -0.03 4.37 -0.00 -1.96 -3.41 116.42 115.24 1x1j h ASP 515 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 1x1j h ASP 515 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.37 1x1j h ASP 515 CO 0.00 0.44 0.00 -0.90 -0.00 0.00 0.00 179.24 178.78 1x1j n ASP 516 N -4.87 1.85 -3.83 4.15 5.75 -1.26 -4.97 116.55 113.37 1x1j n ASP 516 Ca -0.05 -1.75 -0.10 0.00 -0.01 0.00 0.00 54.79 52.88 1x1j n ASP 516 Cb 0.21 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 1x1j n ASP 516 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1x1j s GLU 517 N -0.76 0.76 -0.10 0.11 1.03 -1.26 -4.02 118.70 114.45 1x1j s GLU 517 Ca 0.03 -0.72 0.01 0.00 0.03 0.00 0.00 54.97 54.31 1x1j s GLU 517 Cb 0.01 0.32 0.02 0.00 -0.80 0.00 0.00 34.13 33.68 1x1j s GLU 517 CO 0.02 -0.23 -0.11 0.42 -1.33 0.00 0.00 175.26 174.03 1x1j s ILE 518 N -2.99 1.19 -0.24 1.83 1.09 -0.83 -2.02 121.20 119.23 1x1j s ILE 518 Ca -0.02 -0.44 -0.10 0.00 -1.10 0.00 0.00 60.65 59.00 1x1j s ILE 518 Cb 0.01 -1.14 -0.04 0.00 -1.06 0.00 0.00 42.46 40.22 1x1j s ILE 518 CO -0.06 0.39 0.14 -0.69 -0.10 0.00 0.00 174.94 174.61 1x1j s VAL 519 N 1.26 5.07 -0.19 2.92 1.01 -0.59 -0.13 120.40 129.75 1x1j s VAL 519 Ca -0.03 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1x1j s VAL 519 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1x1j s VAL 519 CO -0.04 0.33 0.03 0.00 0.00 0.00 0.00 175.10 175.43 1x1j s ALA 520 N 1.26 3.24 0.01 5.51 0.00 0.22 -0.79 121.76 131.20 1x1j s ALA 520 Ca 0.06 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1x1j s ALA 520 Cb -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 1x1j s ALA 520 CO 0.06 0.06 -0.24 -0.51 0.00 0.00 0.00 175.76 175.13 1x1j s LEU 521 N 0.61 2.09 -0.02 0.00 1.43 -0.50 -1.92 118.68 120.37 1x1j s LEU 521 Ca 0.01 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1x1j s LEU 521 Cb -0.13 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 1x1j s LEU 521 CO 0.02 0.26 -0.10 -0.83 0.23 0.00 0.00 176.35 175.93 1x1j s GLY 522 N -0.80 0.54 0.18 -3.19 0.00 -0.17 -0.96 107.32 102.93 1x1j s GLY 522 Ca 0.09 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.32 1x1j s GLY 522 CO 0.00 -0.25 0.29 -1.35 0.00 0.00 0.00 173.10 171.79 1x1j s SER 523 N -0.05 0.04 -1.05 1.64 1.04 -0.62 -1.25 113.70 113.46 1x1j s SER 523 Ca 0.01 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 1x1j s SER 523 Cb -0.06 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1x1j s SER 523 CO 0.00 -0.92 0.25 0.61 0.98 0.00 0.00 173.24 174.16 1x1j n GLY 524 N -0.25 -0.49 3.57 7.32 0.00 -0.91 -1.20 105.19 113.24 1x1j n GLY 524 Ca -0.05 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1x1j n GLY 524 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1j s ILE 525 N -2.70 3.55 0.10 -0.61 1.01 0.70 -3.96 121.20 119.28 1x1j s ILE 525 Ca 0.22 0.43 0.07 0.00 0.00 0.00 0.00 60.65 61.36 1x1j s ILE 525 Cb -0.12 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1x1j s ILE 525 CO 0.27 -0.99 -0.17 -0.44 0.00 0.00 0.00 174.94 173.60 1x1j s SER 526 N 6.18 2.13 -0.02 3.58 0.01 -0.52 -1.58 113.70 123.47 1x1j s SER 526 Ca 0.61 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 1x1j s SER 526 Cb -0.13 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.08 1x1j s SER 526 CO 0.24 -0.03 0.72 -0.55 0.41 0.00 0.00 173.24 174.03 1x1j s SER 527 N -1.97 -0.58 -0.02 2.44 0.15 -0.75 -0.95 113.70 112.01 1x1j s SER 527 Ca 0.04 0.50 0.03 0.00 0.70 0.00 0.00 55.95 57.22 1x1j s SER 527 Cb -0.09 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1x1j s SER 527 CO 0.03 -0.64 0.85 0.35 1.20 0.00 0.00 173.24 175.04 1x1j n THR 528 N 0.58 0.67 0.24 6.45 -2.24 -1.26 -3.95 114.28 114.77 1x1j n THR 528 Ca -0.17 -0.72 0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1x1j n THR 528 Cb 0.59 0.56 0.60 0.00 -2.10 0.00 0.00 70.33 69.99 1x1j n THR 528 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x1j h ALA 529 N 0.00 1.41 -0.08 6.98 0.00 -1.96 -3.47 119.26 122.15 1x1j h ALA 529 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1x1j h ALA 529 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1x1j h ALA 529 CO 0.00 0.22 -0.02 0.41 0.00 0.00 0.00 179.25 179.86 1x1j n GLY 530 N -0.73 0.43 3.17 0.00 0.00 -1.26 -4.99 105.19 101.80 1x1j n GLY 530 Ca -0.02 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1x1j n GLY 530 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1j s ILE 531 N -2.05 1.73 0.18 -0.61 1.01 -1.26 -4.91 121.20 115.30 1x1j s ILE 531 Ca 0.00 -0.86 -0.33 0.00 0.00 0.00 0.00 60.65 59.46 1x1j s ILE 531 Cb 0.00 -1.50 -0.15 0.00 0.01 0.00 0.00 42.46 40.83 1x1j s ILE 531 CO 0.00 0.49 1.35 -2.65 0.00 0.00 0.00 174.94 174.13 1x1j n PRO 532 N 3.34 1.63 -4.03 2.79 -0.02 -1.26 -4.26 135.00 133.18 1x1j n PRO 532 Ca -0.19 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 1x1j n PRO 532 Cb 0.52 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1x1j n PRO 532 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1x1j s ILE 533 N 0.17 5.10 0.04 4.25 -1.09 0.27 -0.58 121.20 129.36 1x1j s ILE 533 Ca 0.74 -0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 59.06 1x1j s ILE 533 Cb -0.77 -3.24 -0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1x1j s ILE 533 CO 0.48 0.54 0.14 -1.83 -1.23 0.00 0.00 174.94 173.04 1x1j s GLU 534 N -1.21 0.64 -0.14 2.79 -1.05 -0.46 0.03 118.70 119.30 1x1j s GLU 534 Ca 0.17 -0.70 0.02 0.00 -0.15 0.00 0.00 54.97 54.31 1x1j s GLU 534 Cb -0.12 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.84 1x1j s GLU 534 CO 0.07 -0.17 -0.19 0.99 0.95 0.00 0.00 175.26 176.91 1x1j s THR 535 N -2.60 1.83 -0.29 1.83 2.01 -0.63 -0.85 115.64 116.94 1x1j s THR 535 Ca -0.05 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 1x1j s THR 535 Cb -0.01 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1x1j s THR 535 CO -0.04 0.51 0.98 -0.69 -0.69 0.00 0.00 174.62 174.69 1x1j s VAL 536 N 1.01 4.64 -0.03 3.82 1.01 0.10 -0.77 120.40 130.18 1x1j s VAL 536 Ca -0.04 1.67 -0.23 0.00 0.00 0.00 0.00 61.98 63.38 1x1j s VAL 536 Cb -0.15 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 1x1j s VAL 536 CO -0.04 -0.33 1.07 0.58 0.00 0.00 0.00 175.10 176.38 1x1j h VAL 537 N 5.61 1.50 -2.21 2.92 2.07 -1.32 0.69 116.25 125.52 1x1j h VAL 537 Ca -0.21 -1.91 0.11 0.00 0.82 0.00 0.00 66.70 65.51 1x1j h VAL 537 Cb 1.07 2.65 -0.16 0.00 -1.52 0.00 0.00 31.29 33.33 1x1j h VAL 537 CO 0.97 0.53 0.51 -0.62 0.02 0.00 0.00 177.57 178.99 1x1j s ASP 538 N -6.38 -0.36 -0.38 0.57 3.68 -1.08 -4.06 116.67 108.66 1x1j s ASP 538 Ca -0.15 0.02 0.05 0.00 2.13 0.00 0.00 52.55 54.60 1x1j s ASP 538 Cb 0.02 0.37 0.17 0.00 -1.45 0.00 0.00 42.92 42.02 1x1j s ASP 538 CO 0.76 -0.59 0.48 0.21 0.13 0.00 0.00 175.17 176.16 1x1j s ASN 539 N -2.40 0.00 -0.07 -0.34 3.84 -1.26 -1.17 114.94 113.55 1x1j s ASN 539 Ca 0.05 -1.16 -0.03 0.00 0.21 0.00 0.00 52.86 51.93 1x1j s ASN 539 Cb -0.01 1.17 -0.04 0.00 -0.55 0.00 0.00 41.25 41.83 1x1j s ASN 539 CO -0.08 -0.23 0.08 -0.13 -2.79 0.00 0.00 177.10 173.94 1x1j s ARG 540 N 1.69 3.17 -0.13 0.43 1.81 -0.88 -4.82 118.95 120.22 1x1j s ARG 540 Ca 0.16 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.53 1x1j s ARG 540 Cb -0.11 -2.95 -0.01 0.00 -0.45 0.00 0.00 34.95 31.43 1x1j s ARG 540 CO -0.07 0.71 1.08 0.21 -0.68 0.00 0.00 175.30 176.55 1x1j s LYS 541 N -1.23 4.35 0.82 3.54 2.20 -1.26 -1.44 119.74 126.73 1x1j s LYS 541 Ca 0.17 1.47 -0.07 0.00 -0.36 0.00 0.00 55.97 57.18 1x1j s LYS 541 Cb -0.12 -3.59 0.18 0.00 -1.51 0.00 0.00 37.83 32.79 1x1j s LYS 541 CO 0.07 -0.45 1.12 1.28 -0.36 0.00 0.00 175.35 177.01 1x1j n LEU 542 N 5.51 0.00 -4.73 5.43 4.77 0.35 -4.95 117.00 123.37 1x1j n LEU 542 Ca 0.10 -1.81 -0.30 0.00 -0.03 0.00 0.00 56.01 53.98 1x1j n LEU 542 Cb 0.47 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 40.90 1x1j n LEU 542 CO 0.53 -1.17 0.68 0.54 -1.33 0.00 0.00 177.39 176.63 1x1j s ASN 543 N -5.34 3.64 0.47 -1.43 2.20 -1.26 -4.53 114.94 108.69 1x1j s ASN 543 Ca 0.69 1.43 0.30 0.00 -0.94 0.00 0.00 52.86 54.34 1x1j s ASN 543 Cb -0.03 -2.12 1.39 0.00 -2.00 0.00 0.00 41.25 38.50 1x1j s ASN 543 CO 0.47 -2.53 1.73 1.23 -2.94 0.00 0.00 177.10 175.06 1x1j h GLY 544 N -1.47 0.72 1.05 0.45 0.00 -1.98 0.61 103.07 102.46 1x1j h GLY 544 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1x1j h GLY 544 CO 0.56 -0.14 -0.50 0.00 0.00 0.00 0.00 176.54 176.46 1x1j n ALA 545 N -2.63 3.44 -2.39 3.60 0.00 -1.26 -4.91 120.51 116.36 1x1j n ALA 545 Ca 0.30 -0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1x1j n ALA 545 Cb 1.24 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1x1j n ALA 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1j n GLY 546 N 1.48 -0.45 1.02 0.00 0.00 0.21 -4.85 105.19 102.60 1x1j n GLY 546 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1x1j n GLY 546 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x1j n ASP 547 N -1.98 4.01 -4.63 1.61 3.85 -1.26 -4.53 116.55 113.62 1x1j n ASP 547 Ca -0.24 -2.81 -0.52 0.00 -0.71 0.00 0.00 54.79 50.52 1x1j n ASP 547 Cb 0.68 -0.51 -0.06 0.00 -1.35 0.00 0.00 41.12 39.88 1x1j n ASP 547 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1x1j n ASN 548 N -0.11 2.12 -4.77 -1.12 5.03 -1.26 -4.90 115.26 110.24 1x1j n ASN 548 Ca 0.21 1.10 -0.34 0.00 0.87 0.00 0.00 54.58 56.41 1x1j n ASN 548 Cb 0.86 -1.23 0.02 0.00 -1.02 0.00 0.00 39.78 38.40 1x1j n ASN 548 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x1j s ALA 549 N 1.31 2.63 -0.00 5.41 0.00 -1.26 -4.82 121.76 125.04 1x1j s ALA 549 Ca 0.87 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 53.30 1x1j s ALA 549 Cb -0.92 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 18.92 1x1j s ALA 549 CO 0.49 -0.91 0.55 1.67 0.00 0.00 0.00 175.76 177.55 1x1j s TRP 550 N -1.98 -0.47 0.13 0.00 1.48 -1.26 -0.57 118.94 116.27 1x1j s TRP 550 Ca 0.70 0.69 0.03 0.00 -1.06 0.00 0.00 56.10 56.46 1x1j s TRP 550 Cb -0.22 0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 32.37 1x1j s TRP 550 CO 0.32 -0.59 -0.06 0.99 -4.06 0.00 0.00 176.95 173.54 1x1j s THR 551 N -1.77 0.87 -0.08 0.66 2.01 1.00 -1.11 115.64 117.23 1x1j s THR 551 Ca -0.09 -1.99 -0.03 0.00 0.31 0.00 0.00 61.69 59.89 1x1j s THR 551 Cb -0.01 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.70 1x1j s THR 551 CO 0.04 -0.74 0.16 0.00 -0.69 0.00 0.00 174.62 173.38 1x1j s ALA 552 N -3.52 -0.20 -1.51 7.40 0.00 -0.69 -0.08 121.76 123.16 1x1j s ALA 552 Ca 0.16 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1x1j s ALA 552 Cb 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1x1j s ALA 552 CO -0.01 -0.40 0.00 0.09 0.00 0.00 0.00 175.76 175.44 1x1j n ASN 553 N 4.88 -4.27 0.00 0.00 5.03 -0.32 -1.05 115.26 119.53 1x1j n ASN 553 Ca -0.13 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.60 1x1j n ASN 553 Cb 0.51 -3.78 0.00 0.00 -1.02 0.00 0.00 39.78 35.49 1x1j n ASN 553 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x1j n GLY 554 N -0.51 0.70 3.42 7.41 0.00 -1.26 -5.06 105.19 109.89 1x1j n GLY 554 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1x1j n GLY 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j s ALA 555 N -2.57 2.85 0.56 4.61 0.00 -0.22 -5.09 121.76 121.90 1x1j s ALA 555 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 1x1j s ALA 555 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1x1j s ALA 555 CO 0.00 0.07 1.31 0.00 0.00 0.00 0.00 175.76 177.15 1x1j n ALA 556 N 3.83 1.40 -2.52 0.00 0.00 -1.26 -1.70 120.51 120.26 1x1j n ALA 556 Ca -0.18 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1x1j n ALA 556 Cb 0.52 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.54 1x1j n ALA 556 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1j s LEU 557 N -3.34 2.82 0.38 0.00 1.43 -0.27 -4.87 118.68 114.83 1x1j s LEU 557 Ca 0.73 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1x1j s LEU 557 Cb -0.42 -1.65 -0.11 0.00 0.03 0.00 0.00 46.19 44.04 1x1j s LEU 557 CO 0.48 0.19 1.28 -1.54 0.23 0.00 0.00 176.35 176.99 1x1j n SER 558 N 0.84 2.67 -1.01 2.29 3.41 -1.26 -4.55 113.62 116.02 1x1j n SER 558 Ca -0.15 1.16 0.10 0.00 -0.26 0.00 0.00 58.87 59.72 1x1j n SER 558 Cb 0.52 -1.49 0.20 0.00 -0.26 0.00 0.00 64.21 63.18 1x1j n SER 558 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x1j n THR 559 N 0.09 0.62 -2.21 6.66 -2.24 -1.26 -4.94 114.28 110.99 1x1j n THR 559 Ca 0.05 -0.81 -0.38 0.00 -2.27 0.00 0.00 64.05 60.64 1x1j n THR 559 Cb 0.38 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 1x1j n THR 559 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x1j s GLY 560 N -1.25 2.87 0.40 3.38 0.00 -1.26 -4.30 107.32 107.16 1x1j s GLY 560 Ca 0.34 1.04 -0.23 0.00 0.00 0.00 0.00 44.72 45.88 1x1j s GLY 560 CO 0.27 1.57 0.99 1.08 0.00 0.00 0.00 173.10 177.01 1x1j s LEU 561 N -2.59 4.09 0.00 0.66 1.43 -1.26 -3.78 118.68 117.23 1x1j s LEU 561 Ca 0.58 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1x1j s LEU 561 Cb -0.33 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1x1j s LEU 561 CO 0.41 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1x1j n GLY 562 N 0.02 0.55 3.52 -3.19 0.00 0.22 -4.95 105.19 101.36 1x1j n GLY 562 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1x1j n GLY 562 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1j s VAL 563 N -2.04 4.45 -0.02 1.61 1.01 -1.05 -4.96 120.40 119.40 1x1j s VAL 563 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1x1j s VAL 563 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1x1j s VAL 563 CO 0.00 0.39 0.15 0.00 0.00 0.00 0.00 175.10 175.64 1x1j s ALA 564 N 1.08 3.84 -0.27 5.51 0.00 -1.26 -2.25 121.76 128.41 1x1j s ALA 564 Ca 0.04 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 1x1j s ALA 564 Cb -0.14 -1.81 0.08 0.00 0.00 0.00 0.00 23.12 21.25 1x1j s ALA 564 CO 0.03 0.71 0.75 1.14 0.00 0.00 0.00 175.76 178.40 1x1j s GLN 565 N -1.75 0.78 -0.04 0.00 -2.07 0.04 -4.97 119.66 111.64 1x1j s GLN 565 Ca 0.24 0.98 -0.17 0.00 -1.82 0.00 0.00 55.36 54.59 1x1j s GLN 565 Cb -0.12 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 1x1j s GLN 565 CO 0.15 -0.10 0.48 0.99 -1.32 0.00 0.00 175.29 175.49 1x1j s THR 566 N 0.57 5.05 -0.27 3.63 2.01 -1.26 -2.07 115.64 123.29 1x1j s THR 566 Ca -0.01 0.98 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 1x1j s THR 566 Cb -0.05 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1x1j s THR 566 CO -0.03 0.45 0.02 -0.76 -0.69 0.00 0.00 174.62 173.61 1x1j s LEU 567 N -0.27 3.52 -0.02 4.42 1.43 0.24 -4.99 118.68 123.02 1x1j s LEU 567 Ca 0.26 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1x1j s LEU 567 Cb -0.17 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1x1j s LEU 567 CO 0.13 -0.15 0.04 0.42 0.23 0.00 0.00 176.35 177.02 1x1j s THR 568 N 1.43 4.51 -1.23 5.49 -4.23 -1.26 -0.53 115.64 119.82 1x1j s THR 568 Ca 0.02 -0.41 -0.07 0.00 -1.18 0.00 0.00 61.69 60.04 1x1j s THR 568 Cb -0.17 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.67 1x1j s THR 568 CO -0.01 0.42 1.07 0.61 -0.54 0.00 0.00 174.62 176.17 1x1j n GLY 569 N 1.45 -0.41 3.71 3.99 0.00 -1.02 -4.96 105.19 107.95 1x1j n GLY 569 Ca -0.15 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1x1j n GLY 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1j s VAL 570 N -3.30 4.97 -0.24 1.61 1.01 0.13 -4.77 120.40 119.82 1x1j s VAL 570 Ca 0.48 1.64 0.07 0.00 0.00 0.00 0.00 61.98 64.16 1x1j s VAL 570 Cb -0.21 -4.13 -0.20 0.00 0.00 0.00 0.00 36.38 31.84 1x1j s VAL 570 CO 0.67 0.19 -0.13 0.59 0.00 0.00 0.00 175.10 176.42 1x1j n ASN 571 N 4.05 1.38 -3.59 3.32 5.03 -1.26 -0.44 115.26 123.75 1x1j n ASN 571 Ca 0.02 -0.09 -0.16 0.00 0.87 0.00 0.00 54.58 55.21 1x1j n ASN 571 Cb 0.51 0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 39.21 1x1j n ASN 571 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 1x1j s TRP 572 N -2.51 -0.50 0.03 3.10 1.48 -1.26 -0.23 118.94 119.04 1x1j s TRP 572 Ca -0.27 0.81 0.04 0.00 -1.06 0.00 0.00 56.10 55.62 1x1j s TRP 572 Cb 0.08 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.69 1x1j s TRP 572 CO 0.67 -0.56 -0.13 0.08 -4.06 0.00 0.00 176.95 172.95 1x1j s VAL 573 N -1.42 1.02 -0.05 -0.66 1.01 -0.25 -1.18 120.40 118.87 1x1j s VAL 573 Ca -0.11 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1x1j s VAL 573 Cb -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1x1j s VAL 573 CO 0.07 0.03 -0.10 -2.28 0.00 0.00 0.00 175.10 172.81 1x1j s HIS 574 N -0.76 1.19 -0.19 5.22 5.04 0.88 -0.82 115.29 125.85 1x1j s HIS 574 Ca 0.01 -0.38 0.01 0.00 -1.54 0.00 0.00 55.06 53.16 1x1j s HIS 574 Cb -0.07 -0.89 0.03 0.00 0.04 0.00 0.00 32.58 31.69 1x1j s HIS 574 CO 0.01 -0.20 -0.17 -1.17 -2.34 0.00 0.00 174.74 170.87 1x1j s LEU 575 N 0.55 2.30 0.27 8.88 2.96 -0.38 -0.00 118.68 133.26 1x1j s LEU 575 Ca -0.10 -0.78 -0.30 0.00 -0.22 0.00 0.00 54.13 52.73 1x1j s LEU 575 Cb -0.13 -1.42 -0.10 0.00 0.50 0.00 0.00 46.19 45.03 1x1j s LEU 575 CO 0.02 -0.05 1.36 0.00 -1.32 0.00 0.00 176.35 176.35 1x1j s ALA 576 N 1.30 3.55 0.92 5.97 0.00 0.27 -1.31 121.76 132.46 1x1j s ALA 576 Ca 0.02 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 1x1j s ALA 576 Cb -0.14 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.61 1x1j s ALA 576 CO -0.11 -0.65 1.19 0.20 0.00 0.00 0.00 175.76 176.39 1x1j s GLY 577 N 0.02 1.62 0.00 0.00 0.00 -1.25 -4.65 107.32 103.07 1x1j s GLY 577 Ca 0.55 -0.74 0.25 0.00 0.00 0.00 0.00 44.72 44.77 1x1j s GLY 577 CO 0.46 -0.13 1.94 0.70 0.00 0.00 0.00 173.10 176.06 1x1j n ASN 578 N -3.72 0.06 -4.31 1.64 3.02 -1.26 -4.72 115.26 105.97 1x1j n ASN 578 Ca 0.09 -1.24 -0.25 0.00 -0.03 0.00 0.00 54.58 53.15 1x1j n ASN 578 Cb 0.60 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.64 1x1j n ASN 578 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1x1j s THR 579 N -2.00 1.84 0.47 3.41 -4.23 -1.26 -5.00 115.64 108.88 1x1j s THR 579 Ca 0.37 -1.63 0.29 0.00 -1.18 0.00 0.00 61.69 59.54 1x1j s THR 579 Cb 0.17 -1.68 0.49 0.00 1.34 0.00 0.00 72.50 72.82 1x1j s THR 579 CO 0.29 -0.06 1.76 0.00 -0.54 0.00 0.00 174.62 176.06 1x1j h ALA 580 N 3.94 2.76 -2.76 3.99 0.00 -2.00 -3.43 119.26 121.76 1x1j h ALA 580 Ca -0.47 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1x1j h ALA 580 Cb 1.18 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1x1j h ALA 580 CO 0.41 -1.17 0.30 0.16 0.00 0.00 0.00 179.25 178.94 1x1j s ASP 581 N -5.06 -0.50 0.00 0.00 3.84 -1.26 -4.96 116.67 108.73 1x1j s ASP 581 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 52.55 52.49 1x1j s ASP 581 Cb 0.25 0.53 0.00 0.00 -1.38 0.00 0.00 42.92 42.32 1x1j s ASP 581 CO 0.81 -0.86 0.00 0.61 -0.00 0.00 0.00 175.17 175.73 1x1j n GLY 582 N -0.33 0.70 0.00 2.12 0.00 -1.26 -4.86 105.19 101.56 1x1j n GLY 582 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1x1j n GLY 582 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1j n SER 583 N 0.00 0.27 -4.76 1.61 3.41 -1.26 -1.13 113.62 111.76 1x1j n SER 583 Ca 0.00 -1.12 -0.32 0.00 -0.26 0.00 0.00 58.87 57.17 1x1j n SER 583 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1x1j n SER 583 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1j s ASP 584 N -0.12 4.59 -0.03 4.04 -0.00 -1.26 -3.83 116.67 120.06 1x1j s ASP 584 Ca 0.00 1.98 0.01 0.00 -0.00 0.00 0.00 52.55 54.54 1x1j s ASP 584 Cb 0.00 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.40 1x1j s ASP 584 CO 0.00 -1.98 -0.00 -0.63 -0.00 0.00 0.00 175.17 172.56 1x1j s ILE 585 N -2.55 0.21 0.16 0.77 1.01 -0.42 -0.79 121.20 119.57 1x1j s ILE 585 Ca 0.65 0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.41 1x1j s ILE 585 Cb -0.20 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1x1j s ILE 585 CO 0.49 0.15 0.12 -0.83 0.00 0.00 0.00 174.94 174.87 1x1j s GLY 586 N 0.94 1.75 -0.08 6.18 0.00 0.42 -1.25 107.32 115.28 1x1j s GLY 586 Ca -0.10 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 1x1j s GLY 586 CO -0.01 -1.21 0.06 -0.19 0.00 0.00 0.00 173.10 171.75 1x1j s TYR 587 N -1.71 0.16 -0.14 1.90 1.51 0.00 -0.33 117.35 118.76 1x1j s TYR 587 Ca 0.30 0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1x1j s TYR 587 Cb -0.10 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1x1j s TYR 587 CO 0.23 -0.31 0.00 -0.47 -1.11 0.00 0.00 175.55 173.90 1x1j s TYR 588 N 2.14 3.14 -0.40 2.71 5.04 -0.27 -1.09 117.35 128.62 1x1j s TYR 588 Ca 0.04 -0.02 -0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1x1j s TYR 588 Cb -0.13 -1.94 0.11 0.00 0.35 0.00 0.00 41.96 40.35 1x1j s TYR 588 CO -0.05 0.19 0.17 -0.06 -1.34 0.00 0.00 175.55 174.46 1x1j s PHE 589 N -0.06 3.63 0.10 4.97 0.40 0.68 -0.47 117.98 127.22 1x1j s PHE 589 Ca 0.04 -2.64 -0.32 0.00 -0.60 0.00 0.00 56.93 53.41 1x1j s PHE 589 Cb -0.13 -3.12 -0.11 0.00 0.51 0.00 0.00 43.02 40.17 1x1j s PHE 589 CO 0.02 -0.95 1.83 -2.30 0.70 0.00 0.00 175.22 174.51 1x1j n PRO 590 N 4.39 2.68 -0.85 0.24 -0.02 -1.25 -0.72 135.00 139.46 1x1j n PRO 590 Ca 0.00 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1x1j n PRO 590 Cb 0.41 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 1x1j n PRO 590 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1j n GLY 591 N 4.20 0.90 0.05 -1.23 0.00 -1.26 -4.85 105.19 102.99 1x1j n GLY 591 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1x1j n GLY 591 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1j n GLY 592 N -2.06 -2.66 3.66 -0.02 0.00 0.10 -5.05 105.19 99.15 1x1j n GLY 592 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1x1j n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j s ALA 593 N -3.14 -0.58 -0.17 4.61 0.00 0.42 -4.90 121.76 118.00 1x1j s ALA 593 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1x1j s ALA 593 Cb 0.00 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.12 1x1j s ALA 593 CO 0.00 -0.90 -0.21 0.99 0.00 0.00 0.00 175.76 175.64 1x1j s THR 594 N -3.98 2.05 -0.07 0.00 2.01 -1.26 0.23 115.64 114.62 1x1j s THR 594 Ca 0.18 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1x1j s THR 594 Cb -0.02 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1x1j s THR 594 CO 0.07 0.54 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.21 1x1j s LEU 595 N 1.12 2.86 -0.19 4.42 2.96 0.31 -4.56 118.68 125.61 1x1j s LEU 595 Ca 0.01 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 1x1j s LEU 595 Cb -0.14 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1x1j s LEU 595 CO -0.09 0.32 0.22 -1.10 -1.32 0.00 0.00 176.35 174.38 1x1j s GLN 596 N -0.57 4.21 0.08 1.98 -1.52 0.67 -0.59 119.66 123.92 1x1j s GLN 596 Ca 0.08 -0.05 -0.01 0.00 -1.95 0.00 0.00 55.36 53.42 1x1j s GLN 596 Cb -0.12 -3.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.20 1x1j s GLN 596 CO 0.01 0.23 0.02 0.95 -0.25 0.00 0.00 175.29 176.26 1x1j s THR 597 N 0.52 0.17 -0.19 -0.19 -4.23 -0.88 -1.06 115.64 109.78 1x1j s THR 597 Ca 0.12 -1.81 -0.27 0.00 -1.18 0.00 0.00 61.69 58.55 1x1j s THR 597 Cb -0.12 -1.72 0.08 0.00 1.34 0.00 0.00 72.50 72.08 1x1j s THR 597 CO 0.02 -0.76 0.76 -1.59 -0.54 0.00 0.00 174.62 172.50 1x1j s LYS 598 N -3.97 0.86 -0.17 3.99 -2.85 -0.71 -0.78 119.74 116.11 1x1j s LYS 598 Ca 0.14 0.66 0.01 0.00 -1.00 0.00 0.00 55.97 55.78 1x1j s LYS 598 Cb 0.08 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.28 1x1j s LYS 598 CO -0.05 -0.17 -0.18 0.50 0.10 0.00 0.00 175.35 175.54 1x1j s ARG 599 N -0.24 2.79 0.15 1.78 3.52 -0.96 -0.70 118.95 125.30 1x1j s ARG 599 Ca -0.03 -0.75 -0.12 0.00 -0.13 0.00 0.00 55.73 54.70 1x1j s ARG 599 Cb -0.03 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.95 1x1j s ARG 599 CO 0.03 -0.20 0.34 -1.83 -0.81 0.00 0.00 175.30 172.83 1x1j s GLU 600 N 1.29 1.14 -0.29 5.12 -1.05 -0.57 0.73 118.70 125.07 1x1j s GLU 600 Ca 0.04 -1.00 -0.11 0.00 -0.15 0.00 0.00 54.97 53.75 1x1j s GLU 600 Cb -0.13 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 1x1j s GLU 600 CO -0.11 -0.43 0.19 0.00 0.95 0.00 0.00 175.26 175.86 1x1j s ALA 601 N -3.90 3.51 -0.10 -0.84 0.00 -1.26 -0.89 121.76 118.27 1x1j s ALA 601 Ca 0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1x1j s ALA 601 Cb 0.02 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1x1j s ALA 601 CO -0.04 -0.60 -0.05 1.03 0.00 0.00 0.00 175.76 176.09 1x1j s ARG 602 N 1.75 3.12 0.07 0.00 0.52 0.19 -4.92 118.95 119.68 1x1j s ARG 602 Ca 0.07 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 1x1j s ARG 602 Cb -0.16 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1x1j s ARG 602 CO 0.11 0.50 -0.04 0.99 0.02 0.00 0.00 175.30 176.88 1x1j s THR 603 N -0.37 3.80 0.12 0.02 2.01 -1.26 -1.51 115.64 118.46 1x1j s THR 603 Ca 0.06 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1x1j s THR 603 Cb -0.12 -2.77 0.06 0.00 0.01 0.00 0.00 72.50 69.67 1x1j s THR 603 CO 0.02 0.18 0.76 0.61 -0.69 0.00 0.00 174.62 175.50 1x1j n GLY 604 N 0.81 0.76 3.10 4.40 0.00 -0.52 -4.86 105.19 108.87 1x1j n GLY 604 Ca -0.12 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1x1j n GLY 604 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x1j s THR 605 N -2.19 0.12 0.40 2.61 -4.23 -1.25 -0.92 115.64 110.19 1x1j s THR 605 Ca 0.17 -1.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.82 1x1j s THR 605 Cb -0.02 -0.73 0.15 0.00 1.34 0.00 0.00 72.50 73.24 1x1j s THR 605 CO 0.04 -0.55 1.92 -0.50 -0.54 0.00 0.00 174.62 174.98 1x1j h TRP 606 N 3.91 0.00 -0.32 3.99 4.06 -1.78 -1.87 115.95 123.94 1x1j h TRP 606 Ca -0.32 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.69 1x1j h TRP 606 Cb 1.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 1x1j h TRP 606 CO 0.57 0.27 0.22 -0.22 -3.56 0.00 0.00 178.44 175.72 1x1j h LYS 607 N 0.00 0.14 0.00 0.49 1.63 -1.71 0.33 116.57 117.45 1x1j h LYS 607 Ca -0.00 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1x1j h LYS 607 Cb 0.49 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1x1j h LYS 607 CO 0.03 0.09 -0.10 1.96 -3.45 0.00 0.00 179.45 177.99 1x1j h GLN 608 N 0.14 0.00 -0.01 1.90 4.20 -1.67 -2.91 115.11 116.76 1x1j h GLN 608 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1x1j h GLN 608 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1x1j h GLN 608 CO -0.02 0.10 0.00 0.44 -0.67 0.00 0.00 178.83 178.68 1x1j n ILE 609 N -3.94 0.28 -3.03 2.54 -5.35 -0.38 -4.80 119.36 104.68 1x1j n ILE 609 Ca -0.02 -0.64 -0.14 0.00 -0.27 0.00 0.00 62.75 61.67 1x1j n ILE 609 Cb 0.19 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 38.92 1x1j n ILE 609 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x1j n ASN 610 N -0.10 -2.17 -3.44 7.28 5.15 -0.03 0.18 115.26 122.13 1x1j n ASN 610 Ca 0.00 -2.69 -0.39 0.00 -0.60 0.00 0.00 54.58 50.90 1x1j n ASN 610 Cb 0.08 0.76 -0.02 0.00 -0.53 0.00 0.00 39.78 40.07 1x1j n ASN 610 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x1j n ASN 611 N 2.87 7.10 -4.51 1.20 5.15 -0.40 -4.28 115.26 122.40 1x1j n ASN 611 Ca 0.23 -2.64 -0.32 0.00 -0.60 0.00 0.00 54.58 51.25 1x1j n ASN 611 Cb 0.53 -1.57 -0.12 0.00 -0.53 0.00 0.00 39.78 38.09 1x1j n ASN 611 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x1j s ARG 612 N 2.56 2.37 0.35 1.20 0.52 -1.26 -4.86 118.95 119.82 1x1j s ARG 612 Ca 0.62 -0.81 0.16 0.00 -0.52 0.00 0.00 55.73 55.18 1x1j s ARG 612 Cb 0.16 -2.35 1.14 0.00 0.52 0.00 0.00 34.95 34.42 1x1j s ARG 612 CO -0.07 0.59 1.65 -1.00 0.02 0.00 0.00 175.30 176.49 1x1j h PRO 613 N 4.78 0.25 0.00 3.54 0.13 -1.99 0.18 132.00 138.88 1x1j h PRO 613 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x1j h PRO 613 Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x1j h PRO 613 CO 0.50 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1x1j n ALA 614 N -2.29 2.12 -2.12 -0.56 0.00 -1.26 -4.84 120.51 111.56 1x1j n ALA 614 Ca 0.33 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1x1j n ALA 614 Cb 1.04 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1x1j n ALA 614 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x1j s THR 615 N -3.12 3.17 0.32 0.00 2.01 0.62 -4.98 115.64 113.67 1x1j s THR 615 Ca 0.10 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1x1j s THR 615 Cb 0.13 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 1x1j s THR 615 CO 0.52 0.06 1.32 -2.16 -0.69 0.00 0.00 174.62 173.67 1x1j s PRO 616 N 1.21 4.34 0.00 4.92 0.04 -1.26 -4.75 135.00 139.51 1x1j s PRO 616 Ca 0.66 2.23 0.18 0.00 0.04 0.00 0.00 61.00 64.10 1x1j s PRO 616 Cb -0.38 -3.07 0.42 0.00 0.04 0.00 0.00 34.50 31.50 1x1j s PRO 616 CO 0.30 -0.21 1.34 -1.13 0.04 0.00 0.00 177.00 177.34 1x1j n SER 617 N 0.92 3.29 -4.74 6.66 3.41 -1.26 -2.84 113.62 119.05 1x1j n SER 617 Ca 0.01 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 1x1j n SER 617 Cb 0.42 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1x1j n SER 617 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1x1j n THR 618 N 1.13 1.54 -2.98 6.66 -1.04 -1.26 -4.87 114.28 113.47 1x1j n THR 618 Ca 0.17 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.05 61.44 1x1j n THR 618 Cb 0.52 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 1x1j n THR 618 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1j s ALA 619 N -0.60 3.30 0.06 2.41 0.00 -1.26 -4.46 121.76 121.21 1x1j s ALA 619 Ca 0.59 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1x1j s ALA 619 Cb -0.52 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1x1j s ALA 619 CO 0.57 0.26 -0.10 0.14 0.00 0.00 0.00 175.76 176.62 1x1j s VAL 620 N -1.67 0.77 -0.11 0.00 -7.23 -0.09 -4.97 120.40 107.11 1x1j s VAL 620 Ca 0.48 -1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 1x1j s VAL 620 Cb -0.16 -0.83 0.03 0.00 0.56 0.00 0.00 36.38 35.98 1x1j s VAL 620 CO 0.21 -0.34 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.70 1x1j s THR 621 N -1.41 0.94 0.11 5.32 2.01 -1.26 -1.44 115.64 119.91 1x1j s THR 621 Ca -0.06 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 61.79 1x1j s THR 621 Cb -0.10 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1x1j s THR 621 CO 0.01 0.35 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.96 1x1j s ARG 622 N 1.73 1.16 0.01 4.92 1.81 -0.57 -4.92 118.95 123.08 1x1j s ARG 622 Ca 0.05 -1.21 -0.09 0.00 -1.72 0.00 0.00 55.73 52.77 1x1j s ARG 622 Cb -0.13 -1.40 -0.05 0.00 -0.45 0.00 0.00 34.95 32.93 1x1j s ARG 622 CO -0.08 0.32 0.31 -0.80 -0.68 0.00 0.00 175.30 174.37 1x1j s ASN 623 N -2.03 6.57 0.04 0.23 0.01 -1.26 -0.64 114.94 117.85 1x1j s ASN 623 Ca 0.08 0.66 0.02 0.00 -0.71 0.00 0.00 52.86 52.92 1x1j s ASN 623 Cb -0.09 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 1x1j s ASN 623 CO 0.05 0.26 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.52 1x1j s TYR 624 N -1.26 0.64 -0.23 2.20 2.02 -0.07 0.13 117.35 120.78 1x1j s TYR 624 Ca 0.27 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1x1j s TYR 624 Cb -0.14 -0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 1x1j s TYR 624 CO 0.15 -0.07 -0.09 -2.00 -1.57 0.00 0.00 175.55 171.97 1x1j s GLU 625 N -1.37 2.92 -0.10 -0.62 2.56 -0.52 -1.51 118.70 120.06 1x1j s GLU 625 Ca -0.08 -0.91 0.04 0.00 0.00 0.00 0.00 54.97 54.01 1x1j s GLU 625 Cb -0.09 -2.91 -0.00 0.00 2.00 0.00 0.00 34.13 33.13 1x1j s GLU 625 CO 0.00 -0.34 -0.23 0.99 -0.56 0.00 0.00 175.26 175.13 1x1j s THR 626 N 1.33 2.18 -0.04 -1.70 2.01 0.13 -2.07 115.64 117.48 1x1j s THR 626 Ca 0.02 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1x1j s THR 626 Cb -0.16 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1x1j s THR 626 CO -0.06 0.56 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.30 1x1j s MET 627 N 0.30 1.07 0.15 4.92 1.00 -0.31 -1.73 119.30 124.69 1x1j s MET 627 Ca -0.17 -0.27 -0.15 0.00 0.00 0.00 0.00 55.69 55.11 1x1j s MET 627 Cb -0.17 -0.98 0.02 0.00 0.00 0.00 0.00 34.83 33.70 1x1j s MET 627 CO 0.08 0.04 0.40 1.67 0.00 0.00 0.00 175.02 177.22 1x1j s TRP 628 N 0.49 -0.04 -0.19 -0.03 -2.14 -0.22 -0.86 118.94 115.96 1x1j s TRP 628 Ca -0.08 -0.31 -0.09 0.00 2.66 0.00 0.00 56.10 58.28 1x1j s TRP 628 Cb -0.12 0.22 -0.05 0.00 -3.10 0.00 0.00 33.47 30.43 1x1j s TRP 628 CO 0.01 -0.77 0.10 0.42 -2.66 0.00 0.00 176.95 174.05 1x1j s ILE 629 N -3.86 5.09 -0.35 0.66 1.01 0.05 -0.23 121.20 123.56 1x1j s ILE 629 Ca 0.08 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 1x1j s ILE 629 Cb 0.01 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1x1j s ILE 629 CO -0.07 0.44 0.68 -0.62 0.00 0.00 0.00 174.94 175.38 1x1j s ASP 630 N 0.42 6.47 0.00 3.58 3.68 -1.26 -1.61 116.67 127.95 1x1j s ASP 630 Ca 0.05 0.24 0.23 0.00 2.13 0.00 0.00 52.55 55.21 1x1j s ASP 630 Cb -0.12 -2.35 0.57 0.00 -1.45 0.00 0.00 42.92 39.58 1x1j s ASP 630 CO -0.01 -0.62 1.47 1.41 0.13 0.00 0.00 175.17 177.56 1x1j n HIS 631 N 6.13 0.23 -0.15 -5.34 8.25 0.10 -5.00 115.22 119.44 1x1j n HIS 631 Ca 0.00 -0.11 0.02 0.00 -0.26 0.00 0.00 57.72 57.37 1x1j n HIS 631 Cb 0.48 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 1x1j n HIS 631 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x1j n GLY 632 N 1.31 -1.38 3.82 -1.41 0.00 -1.22 -4.47 105.19 101.83 1x1j n GLY 632 Ca 0.17 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 1x1j n GLY 632 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1j s THR 633 N -1.20 4.75 -1.32 2.61 2.01 -1.26 -0.56 115.64 120.67 1x1j s THR 633 Ca 0.00 1.16 -0.09 0.00 0.31 0.00 0.00 61.69 63.07 1x1j s THR 633 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1x1j s THR 633 CO 0.00 0.50 0.52 0.59 -0.69 0.00 0.00 174.62 175.54 1x1j n ASN 634 N 1.56 -1.95 -4.72 3.53 5.03 -1.26 -4.94 115.26 112.50 1x1j n ASN 634 Ca -0.09 -1.05 -0.30 0.00 0.87 0.00 0.00 54.58 54.01 1x1j n ASN 634 Cb 0.51 -2.95 0.14 0.00 -1.02 0.00 0.00 39.78 36.45 1x1j n ASN 634 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1x1j s PRO 635 N -6.51 1.27 -0.13 3.52 0.04 -1.25 -4.75 135.00 127.18 1x1j s PRO 635 Ca 0.18 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 1x1j s PRO 635 Cb -0.07 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1x1j s PRO 635 CO 0.89 -2.22 0.08 0.45 0.04 0.00 0.00 177.00 176.25 1x1j s SER 636 N -3.48 1.93 -1.49 6.66 0.15 -1.25 -1.81 113.70 114.42 1x1j s SER 636 Ca 0.63 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1x1j s SER 636 Cb -0.18 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1x1j s SER 636 CO 0.57 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1x1j n GLY 637 N 5.29 0.12 3.72 9.45 0.00 -1.12 -4.93 105.19 117.72 1x1j n GLY 637 Ca -0.06 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1x1j n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j s ALA 638 N -2.78 1.63 0.35 4.61 0.00 -0.62 -4.29 121.76 120.67 1x1j s ALA 638 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 1x1j s ALA 638 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1x1j s ALA 638 CO 0.00 -2.28 0.68 -1.54 0.00 0.00 0.00 175.76 172.62 1x1j s SER 639 N -3.40 0.18 0.16 0.00 1.04 -1.26 -0.22 113.70 110.20 1x1j s SER 639 Ca 0.63 -1.14 -0.24 0.00 0.48 0.00 0.00 55.95 55.68 1x1j s SER 639 Cb -0.18 0.77 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1x1j s SER 639 CO 0.57 -1.51 0.74 -0.72 0.98 0.00 0.00 173.24 173.30 1x1j s TYR 640 N -2.82 -0.34 -0.30 5.02 -0.85 -0.38 -4.95 117.35 112.74 1x1j s TYR 640 Ca 0.19 0.06 -0.06 0.00 -0.52 0.00 0.00 57.07 56.74 1x1j s TYR 640 Cb -0.04 0.61 0.16 0.00 0.38 0.00 0.00 41.96 43.08 1x1j s TYR 640 CO 0.13 -0.90 0.66 0.20 -1.52 0.00 0.00 175.55 174.12 1x1j s GLY 641 N -2.78 -0.82 0.08 5.49 0.00 -1.26 -1.00 107.32 107.03 1x1j s GLY 641 Ca 0.06 2.16 0.01 0.00 0.00 0.00 0.00 44.72 46.95 1x1j s GLY 641 CO -0.04 3.26 -0.05 -2.52 0.00 0.00 0.00 173.10 173.75 1x1j s TYR 642 N 2.86 0.73 -0.10 1.90 1.13 -0.81 -3.90 117.35 119.15 1x1j s TYR 642 Ca 0.08 -0.93 0.03 0.00 -1.41 0.00 0.00 57.07 54.84 1x1j s TYR 642 Cb -0.13 -0.45 0.01 0.00 -1.10 0.00 0.00 41.96 40.29 1x1j s TYR 642 CO -0.20 -0.23 -0.18 0.08 -2.51 0.00 0.00 175.55 172.52 1x1j s VAL 643 N -3.50 1.66 -0.22 -3.49 1.01 0.37 -0.61 120.40 115.63 1x1j s VAL 643 Ca 0.08 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1x1j s VAL 643 Cb 0.05 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1x1j s VAL 643 CO -0.06 0.47 0.62 -0.76 0.00 0.00 0.00 175.10 175.37 1x1j s LEU 644 N 0.73 4.11 -0.72 3.92 1.43 0.82 -1.11 118.68 127.85 1x1j s LEU 644 Ca -0.11 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1x1j s LEU 644 Cb -0.16 -2.86 0.18 0.00 0.03 0.00 0.00 46.19 43.38 1x1j s LEU 644 CO 0.02 -0.31 0.55 -0.76 0.23 0.00 0.00 176.35 176.09 1x1j s LEU 645 N 2.13 5.22 0.64 1.79 1.43 0.56 -1.96 118.68 128.50 1x1j s LEU 645 Ca 0.27 -3.30 -0.18 0.00 -1.03 0.00 0.00 54.13 49.89 1x1j s LEU 645 Cb -0.16 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1x1j s LEU 645 CO 0.09 -0.26 1.30 -2.84 0.23 0.00 0.00 176.35 174.88 1x1j s PRO 646 N -0.72 2.57 -0.46 1.29 0.02 -1.26 -0.43 135.00 136.01 1x1j s PRO 646 Ca 0.22 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1x1j s PRO 646 Cb -0.14 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1x1j s PRO 646 CO -0.08 -1.59 0.00 0.09 -0.33 0.00 0.00 177.00 175.10 1x1j n ASN 647 N -1.88 -1.58 -4.86 2.53 3.02 0.03 -4.83 115.26 107.68 1x1j n ASN 647 Ca 0.16 0.22 -0.35 0.00 -0.03 0.00 0.00 54.58 54.58 1x1j n ASN 647 Cb 0.48 -1.64 -0.05 0.00 -0.61 0.00 0.00 39.78 37.95 1x1j n ASN 647 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1x1j s LYS 648 N -3.43 3.78 1.03 3.52 1.02 -1.24 -4.82 119.74 119.60 1x1j s LYS 648 Ca 0.00 0.21 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 1x1j s LYS 648 Cb 0.00 -3.00 0.21 0.00 -0.52 0.00 0.00 37.83 34.52 1x1j s LYS 648 CO 0.00 0.56 1.20 0.95 -0.92 0.00 0.00 175.35 177.14 1x1j s THR 649 N -1.39 1.86 0.19 2.17 -4.23 -1.26 -4.54 115.64 108.43 1x1j s THR 649 Ca 0.33 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 1x1j s THR 649 Cb -0.14 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 71.05 1x1j s THR 649 CO 0.18 0.00 1.81 -1.28 -0.54 0.00 0.00 174.62 174.79 1x1j h SER 650 N -1.92 0.80 -0.40 3.99 0.87 -1.98 -1.41 113.55 113.49 1x1j h SER 650 Ca -0.46 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 59.99 1x1j h SER 650 Cb 1.28 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1x1j h SER 650 CO 0.43 0.65 0.17 0.00 -0.53 0.00 0.00 176.83 177.56 1x1j h ALA 651 N 1.18 0.52 -0.53 6.23 0.00 -1.99 -1.84 119.26 122.83 1x1j h ALA 651 Ca 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1x1j h ALA 651 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1x1j h ALA 651 CO -0.04 0.11 0.21 1.96 0.00 0.00 0.00 179.25 181.49 1x1j h GLN 652 N 0.50 0.77 -0.37 0.00 4.20 -1.83 0.14 115.11 118.51 1x1j h GLN 652 Ca 0.13 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1x1j h GLN 652 Cb 0.17 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1x1j h GLN 652 CO -0.01 0.63 -0.06 0.28 -0.67 0.00 0.00 178.83 179.00 1x1j h VAL 653 N 0.76 1.27 -0.64 -0.54 2.07 -1.04 -0.12 116.25 118.01 1x1j h VAL 653 Ca 0.18 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1x1j h VAL 653 Cb 0.15 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1x1j h VAL 653 CO -0.02 0.37 0.42 1.23 0.02 0.00 0.00 177.57 179.60 1x1j h GLY 654 N 0.51 0.90 1.02 2.17 0.00 -0.62 0.13 103.07 107.17 1x1j h GLY 654 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1x1j h GLY 654 CO 0.03 0.33 0.50 0.00 0.00 0.00 0.00 176.54 177.40 1x1j h ALA 655 N 1.23 1.08 -0.12 3.60 0.00 -0.46 -0.79 119.26 123.80 1x1j h ALA 655 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x1j h ALA 655 Cb -0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 1x1j h ALA 655 CO -0.05 0.55 0.02 -0.92 0.00 0.00 0.00 179.25 178.85 1x1j h TYR 656 N 1.16 0.20 -0.71 0.00 3.20 -0.44 -2.74 116.97 117.64 1x1j h TYR 656 Ca 0.30 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.27 1x1j h TYR 656 Cb -0.03 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 1x1j h TYR 656 CO -0.00 0.37 0.47 0.00 -1.64 0.00 0.00 178.16 177.36 1x1j h ALA 657 N 0.81 2.02 0.00 1.82 0.00 -0.28 0.38 119.26 124.01 1x1j h ALA 657 Ca 0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1x1j h ALA 657 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1x1j h ALA 657 CO 0.00 -0.20 -0.58 0.00 0.00 0.00 0.00 179.25 178.48 1x1j h ALA 658 N 1.65 0.97 -0.96 0.00 0.00 -0.87 -3.38 119.26 116.67 1x1j h ALA 658 Ca 0.34 -0.52 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1x1j h ALA 658 Cb 0.68 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.16 1x1j h ALA 658 CO -0.11 0.72 -0.67 -3.47 0.00 0.00 0.00 179.25 175.72 1x1j n ASP 659 N -3.73 -2.18 -4.77 0.00 2.03 -0.46 -5.11 116.55 102.32 1x1j n ASP 659 Ca -0.01 -2.96 -0.40 0.00 0.52 0.00 0.00 54.79 51.93 1x1j n ASP 659 Cb 0.60 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 42.05 1x1j n ASP 659 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x1j s PRO 660 N 0.32 3.97 0.37 -0.67 0.04 0.12 -4.75 135.00 134.40 1x1j s PRO 660 Ca 0.32 2.46 0.20 0.00 0.04 0.00 0.00 61.00 64.03 1x1j s PRO 660 Cb 0.13 -2.85 0.47 0.00 0.04 0.00 0.00 34.50 32.28 1x1j s PRO 660 CO -0.16 -0.61 1.63 0.00 0.04 0.00 0.00 177.00 177.90 1x1j h ALA 661 N 2.77 0.87 -2.46 8.56 0.00 -1.96 -3.46 119.26 123.58 1x1j h ALA 661 Ca -0.51 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 53.60 1x1j h ALA 661 Cb 1.25 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1x1j h ALA 661 CO 0.63 0.39 -0.50 0.96 0.00 0.00 0.00 179.25 180.73 1x1j s ILE 662 N -3.28 4.90 -0.05 0.00 -5.25 -1.26 -0.31 121.20 115.94 1x1j s ILE 662 Ca 0.03 -1.00 -0.02 0.00 -0.99 0.00 0.00 60.65 58.67 1x1j s ILE 662 Cb 0.08 -3.57 0.04 0.00 2.95 0.00 0.00 42.46 41.96 1x1j s ILE 662 CO 0.69 -0.19 0.11 -0.70 -1.79 0.00 0.00 174.94 173.05 1x1j s GLU 663 N -3.46 0.03 -0.39 0.37 2.12 0.15 -4.92 118.70 112.60 1x1j s GLU 663 Ca 0.33 0.34 -0.29 0.00 0.36 0.00 0.00 54.97 55.72 1x1j s GLU 663 Cb -0.10 -0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.06 1x1j s GLU 663 CO 0.26 -0.20 1.30 0.42 -0.54 0.00 0.00 175.26 176.51 1x1j s ILE 664 N 1.39 4.07 0.01 -3.70 1.01 -1.26 0.22 121.20 122.93 1x1j s ILE 664 Ca -0.06 1.13 -0.20 0.00 0.00 0.00 0.00 60.65 61.52 1x1j s ILE 664 Cb -0.12 -4.29 -0.22 0.00 0.01 0.00 0.00 42.46 37.83 1x1j s ILE 664 CO -0.05 -0.72 1.12 0.58 0.00 0.00 0.00 174.94 175.87 1x1j h VAL 665 N 6.24 1.42 -2.53 2.92 2.07 -0.05 -3.48 116.25 122.83 1x1j h VAL 665 Ca -0.26 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.19 1x1j h VAL 665 Cb 1.09 2.52 -0.17 0.00 -1.52 0.00 0.00 31.29 33.21 1x1j h VAL 665 CO 1.08 0.59 0.09 0.68 0.02 0.00 0.00 177.57 180.02 1x1j s VAL 666 N -3.31 0.02 -0.45 2.57 -7.23 -0.77 -4.91 120.40 106.31 1x1j s VAL 666 Ca -0.13 -0.15 0.07 0.00 -1.81 0.00 0.00 61.98 59.96 1x1j s VAL 666 Cb 0.04 -0.96 0.29 0.00 0.56 0.00 0.00 36.38 36.31 1x1j s VAL 666 CO 0.82 -0.08 0.92 -3.20 -0.31 0.00 0.00 175.10 173.25 1x1j n ASN 667 N 0.58 -1.85 -4.72 4.85 5.15 -1.20 -0.15 115.26 117.93 1x1j n ASN 667 Ca -0.19 -3.36 -0.26 0.00 -0.60 0.00 0.00 54.58 50.17 1x1j n ASN 667 Cb 0.59 1.28 -0.08 0.00 -0.53 0.00 0.00 39.78 41.04 1x1j n ASN 667 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1x1j s THR 668 N -0.10 2.17 -1.11 -0.44 -4.23 -0.62 -4.78 115.64 106.54 1x1j s THR 668 Ca 0.29 -1.77 0.17 0.00 -1.18 0.00 0.00 61.69 59.20 1x1j s THR 668 Cb 0.26 -2.94 0.18 0.00 1.34 0.00 0.00 72.50 71.35 1x1j s THR 668 CO -0.13 0.00 1.52 -1.54 -0.54 0.00 0.00 174.62 173.93 1x1j n SER 669 N -1.20 0.00 -0.02 3.99 3.41 -1.26 -2.60 113.62 115.94 1x1j n SER 669 Ca -0.03 0.38 -0.21 0.00 -0.26 0.00 0.00 58.87 58.75 1x1j n SER 669 Cb 0.65 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 1x1j n SER 669 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1j n GLY 670 N 0.19 -0.58 3.49 5.00 0.00 -1.26 -4.62 105.19 107.42 1x1j n GLY 670 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1x1j n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1j s VAL 671 N -2.53 -0.00 -0.13 1.61 0.11 -1.07 -0.97 120.40 117.41 1x1j s VAL 671 Ca -0.24 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1x1j s VAL 671 Cb 0.07 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1x1j s VAL 671 CO 0.73 0.00 -0.18 -1.10 -3.33 0.00 0.00 175.10 171.22 1x1j s GLN 672 N 0.66 3.17 -0.06 1.54 -0.21 -0.68 -1.58 119.66 122.49 1x1j s GLN 672 Ca -0.03 -0.79 -0.05 0.00 0.02 0.00 0.00 55.36 54.52 1x1j s GLN 672 Cb -0.05 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.48 1x1j s GLN 672 CO -0.04 0.09 0.16 0.45 -2.12 0.00 0.00 175.29 173.83 1x1j s SER 673 N 0.60 -0.15 -0.02 5.90 0.15 0.79 -0.45 113.70 120.51 1x1j s SER 673 Ca -0.10 0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.90 1x1j s SER 673 Cb -0.16 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1x1j s SER 673 CO 0.03 -0.09 -0.09 -0.69 1.20 0.00 0.00 173.24 173.61 1x1j s VAL 674 N 0.47 0.74 -0.01 4.45 1.01 -0.64 0.71 120.40 127.14 1x1j s VAL 674 Ca -0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1x1j s VAL 674 Cb -0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1x1j s VAL 674 CO -0.02 0.23 -0.04 -0.75 0.00 0.00 0.00 175.10 174.52 1x1j s LYS 675 N 0.14 2.68 -0.50 2.72 2.20 0.13 -1.13 119.74 125.98 1x1j s LYS 675 Ca -0.02 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1x1j s LYS 675 Cb -0.08 -2.59 0.13 0.00 -1.51 0.00 0.00 37.83 33.79 1x1j s LYS 675 CO 0.00 0.62 0.29 -2.00 -0.36 0.00 0.00 175.35 173.91 1x1j s GLU 676 N -1.36 2.17 0.24 4.03 -6.30 0.12 0.33 118.70 117.94 1x1j s GLU 676 Ca 0.17 -2.22 -0.07 0.00 -2.50 0.00 0.00 54.97 50.35 1x1j s GLU 676 Cb -0.11 -3.57 0.43 0.00 0.00 0.00 0.00 34.13 30.88 1x1j s GLU 676 CO 0.07 -1.11 1.66 -0.22 0.02 0.00 0.00 175.26 175.68 1x1j h LYS 677 N 7.39 0.16 0.00 4.30 3.64 -0.92 -0.82 116.57 130.31 1x1j h LYS 677 Ca -0.07 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1x1j h LYS 677 Cb 0.98 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1x1j h LYS 677 CO 0.69 0.10 -0.21 1.79 -2.27 0.00 0.00 179.45 179.55 1x1j h THR 678 N 0.16 0.62 -0.01 1.00 1.35 -1.95 -3.15 112.91 110.92 1x1j h THR 678 Ca 0.40 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1x1j h THR 678 Cb 0.70 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1x1j h THR 678 CO -0.59 0.21 -0.21 0.18 -0.25 0.00 0.00 175.52 174.85 1x1j n LEU 679 N -3.52 1.77 -1.52 3.87 4.77 -0.88 -4.98 117.00 116.52 1x1j n LEU 679 Ca -0.01 -0.84 -0.15 0.00 -0.03 0.00 0.00 56.01 54.99 1x1j n LEU 679 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1x1j n LEU 679 CO 0.33 0.33 -0.17 0.61 -1.33 0.00 0.00 177.39 177.15 1x1j n GLY 680 N 1.03 0.22 3.84 -0.72 0.00 -0.36 -4.62 105.19 104.57 1x1j n GLY 680 Ca 0.07 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1x1j n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x1j s LEU 681 N -3.96 4.39 -0.13 0.99 1.43 -0.98 -0.69 118.68 119.73 1x1j s LEU 681 Ca 0.00 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1x1j s LEU 681 Cb 0.00 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1x1j s LEU 681 CO 0.00 0.34 -0.02 -0.69 0.23 0.00 0.00 176.35 176.22 1x1j s VAL 682 N -0.81 0.69 0.00 -1.59 1.01 -0.56 0.16 120.40 119.30 1x1j s VAL 682 Ca 0.17 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1x1j s VAL 682 Cb -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1x1j s VAL 682 CO 0.06 0.14 -0.03 -0.83 0.00 0.00 0.00 175.10 174.43 1x1j s GLY 683 N 1.82 1.81 -0.18 4.51 0.00 -0.28 -1.05 107.32 113.95 1x1j s GLY 683 Ca 0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 1x1j s GLY 683 CO -0.07 -0.85 0.44 0.00 0.00 0.00 0.00 173.10 172.61 1x1j s ALA 684 N -1.04 -1.11 -0.27 3.20 0.00 0.21 -1.61 121.76 121.13 1x1j s ALA 684 Ca 0.18 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 1x1j s ALA 684 Cb -0.11 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1x1j s ALA 684 CO 0.09 -0.25 0.01 -0.80 0.00 0.00 0.00 175.76 174.80 1x1j s ASN 685 N 1.03 4.73 -0.30 0.00 0.02 0.41 -0.13 114.94 120.69 1x1j s ASN 685 Ca -0.06 -0.77 -0.15 0.00 -1.02 0.00 0.00 52.86 50.86 1x1j s ASN 685 Cb -0.06 -1.78 -0.03 0.00 0.02 0.00 0.00 41.25 39.40 1x1j s ASN 685 CO -0.09 -0.15 0.35 -0.36 0.02 0.00 0.00 177.10 176.86 1x1j s PHE 686 N 1.42 3.22 -1.23 2.20 0.40 0.06 -1.69 117.98 122.37 1x1j s PHE 686 Ca 0.02 0.18 0.28 0.00 -0.60 0.00 0.00 56.93 56.80 1x1j s PHE 686 Cb -0.17 -2.59 0.98 0.00 0.51 0.00 0.00 43.02 41.74 1x1j s PHE 686 CO -0.01 -0.31 1.73 0.91 0.70 0.00 0.00 175.22 178.23 1x1j n TRP 687 N 5.32 0.00 -4.34 0.36 7.02 -0.15 -2.31 117.44 123.35 1x1j n TRP 687 Ca -0.09 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.21 1x1j n TRP 687 Cb 0.50 -0.31 -0.10 0.00 -2.42 0.00 0.00 31.31 28.98 1x1j n TRP 687 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1x1j s THR 688 N -2.82 0.72 -0.62 -0.99 -4.23 -1.26 -4.90 115.64 101.55 1x1j s THR 688 Ca 0.18 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1x1j s THR 688 Cb 0.19 -2.64 0.16 0.00 1.34 0.00 0.00 72.50 71.55 1x1j s THR 688 CO 0.57 -0.04 2.51 0.47 -0.54 0.00 0.00 174.62 177.59 1x1j n ASP 689 N -0.50 6.88 -4.04 3.99 8.00 -1.26 -2.51 116.55 127.10 1x1j n ASP 689 Ca -0.01 -3.42 -0.14 0.00 0.71 0.00 0.00 54.79 51.94 1x1j n ASP 689 Cb 0.66 -1.18 -0.12 0.00 -0.02 0.00 0.00 41.12 40.46 1x1j n ASP 689 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1x1j s THR 690 N -3.16 0.51 0.06 -3.53 -4.23 -1.10 -4.77 115.64 99.42 1x1j s THR 690 Ca 0.56 -0.90 -0.33 0.00 -1.18 0.00 0.00 61.69 59.84 1x1j s THR 690 Cb 0.39 -0.55 -0.12 0.00 1.34 0.00 0.00 72.50 73.56 1x1j s THR 690 CO -0.28 -0.28 1.76 0.41 -0.54 0.00 0.00 174.62 175.69 1x1j n THR 691 N 1.78 0.32 -4.06 3.99 -1.04 -1.25 -4.49 114.28 109.52 1x1j n THR 691 Ca -0.21 -0.06 -0.07 0.00 -2.04 0.00 0.00 64.05 61.67 1x1j n THR 691 Cb 0.55 -1.83 -0.10 0.00 -1.82 0.00 0.00 70.33 67.14 1x1j n THR 691 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1x1j s GLN 692 N 2.58 0.61 -0.03 -2.82 -0.21 0.31 -4.98 119.66 115.11 1x1j s GLN 692 Ca 0.85 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 55.10 1x1j s GLN 692 Cb -0.63 0.21 0.01 0.00 1.00 0.00 0.00 33.01 33.61 1x1j s GLN 692 CO 0.43 -0.12 -0.06 0.99 -2.12 0.00 0.00 175.29 174.40 1x1j s THR 693 N -3.70 0.60 -0.23 -0.19 2.01 -1.26 -1.09 115.64 111.78 1x1j s THR 693 Ca 0.05 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1x1j s THR 693 Cb 0.06 -0.57 0.07 0.00 0.01 0.00 0.00 72.50 72.07 1x1j s THR 693 CO -0.09 0.21 0.00 0.00 -0.69 0.00 0.00 174.62 174.05 1x1j s ALA 694 N 0.43 1.62 0.00 7.40 0.00 0.11 -5.00 121.76 126.32 1x1j s ALA 694 Ca -0.06 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1x1j s ALA 694 Cb -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1x1j s ALA 694 CO 0.00 -1.27 0.00 -3.47 0.00 0.00 0.00 175.76 171.03 1x1j n ASP 695 N 4.81 0.00 -0.02 0.00 2.03 -1.26 -0.79 116.55 121.32 1x1j n ASP 695 Ca -0.09 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.36 1x1j n ASP 695 Cb 0.45 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.51 1x1j n ASP 695 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x1j n LEU 696 N 0.00 0.10 -4.69 -2.67 -0.00 -1.26 -4.83 117.00 103.64 1x1j n LEU 696 Ca 0.00 0.29 -0.37 0.00 -0.00 0.00 0.00 56.01 55.94 1x1j n LEU 696 Cb 0.00 -0.33 -0.08 0.00 -0.00 0.00 0.00 43.42 43.00 1x1j n LEU 696 CO 0.00 0.02 -0.07 -0.63 -0.00 0.00 0.00 177.39 176.71 1x1j s ILE 697 N -2.71 5.31 -0.05 1.47 1.01 0.03 -0.66 121.20 125.60 1x1j s ILE 697 Ca 0.23 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1x1j s ILE 697 Cb 0.20 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 1x1j s ILE 697 CO 0.50 0.34 -0.22 -0.89 0.00 0.00 0.00 174.94 174.68 1x1j s THR 698 N 0.89 1.77 0.04 2.92 2.01 -0.50 0.07 115.64 122.85 1x1j s THR 698 Ca 0.13 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1x1j s THR 698 Cb -0.13 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1x1j s THR 698 CO 0.04 0.50 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.84 1x1j s SER 699 N -0.11 0.92 0.00 3.53 0.15 -0.25 -1.50 113.70 116.44 1x1j s SER 699 Ca -0.03 -0.54 0.17 0.00 0.70 0.00 0.00 55.95 56.25 1x1j s SER 699 Cb -0.12 0.02 -0.19 0.00 -1.71 0.00 0.00 66.02 64.02 1x1j s SER 699 CO 0.03 -0.18 0.74 -0.46 1.20 0.00 0.00 173.24 174.56 1x1j n ASN 700 N 1.50 0.83 -4.23 5.45 2.04 -1.04 -0.53 115.26 119.26 1x1j n ASN 700 Ca -0.22 -0.91 -0.13 0.00 -0.44 0.00 0.00 54.58 52.87 1x1j n ASN 700 Cb 0.55 1.00 -0.10 0.00 -2.53 0.00 0.00 39.78 38.69 1x1j n ASN 700 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1x1j s LYS 701 N -2.63 1.23 0.18 -3.83 1.02 -1.26 -2.71 119.74 111.74 1x1j s LYS 701 Ca 0.07 -1.65 -0.33 0.00 0.02 0.00 0.00 55.97 54.08 1x1j s LYS 701 Cb 0.13 0.10 -0.14 0.00 -0.52 0.00 0.00 37.83 37.40 1x1j s LYS 701 CO 0.71 -0.34 1.50 1.63 -0.92 0.00 0.00 175.35 177.93 1x1j n LYS 702 N -0.31 2.02 -3.53 1.68 5.02 -1.04 -4.84 118.16 117.17 1x1j n LYS 702 Ca 0.00 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 56.95 1x1j n LYS 702 Cb 0.66 -2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.20 1x1j n LYS 702 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x1j s ALA 703 N 0.58 -1.83 -0.16 7.82 0.00 -0.98 -4.77 121.76 122.43 1x1j s ALA 703 Ca 0.76 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.71 1x1j s ALA 703 Cb -0.69 0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1x1j s ALA 703 CO 0.42 -0.71 -0.20 0.45 0.00 0.00 0.00 175.76 175.72 1x1j s SER 704 N -2.50 3.22 0.00 0.00 0.15 -0.82 -0.76 113.70 112.98 1x1j s SER 704 Ca 0.06 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.13 1x1j s SER 704 Cb -0.01 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.81 1x1j s SER 704 CO -0.08 0.05 -0.07 -0.69 1.20 0.00 0.00 173.24 173.65 1x1j s VAL 705 N 1.02 0.53 -0.04 4.45 1.01 0.82 -1.97 120.40 126.22 1x1j s VAL 705 Ca -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1x1j s VAL 705 Cb -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1x1j s VAL 705 CO -0.06 0.09 0.08 -0.32 0.00 0.00 0.00 175.10 174.89 1x1j s MET 706 N -0.31 0.05 0.19 2.72 1.75 -0.89 0.64 119.30 123.45 1x1j s MET 706 Ca 0.01 0.21 0.10 0.00 -1.25 0.00 0.00 55.69 54.76 1x1j s MET 706 Cb -0.03 -0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.48 1x1j s MET 706 CO -0.00 -0.11 -0.20 0.95 -0.65 0.00 0.00 175.02 175.01 1x1j s THR 707 N 0.71 2.06 -0.11 10.11 -4.23 -0.22 -0.93 115.64 123.03 1x1j s THR 707 Ca -0.06 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1x1j s THR 707 Cb -0.08 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.80 1x1j s THR 707 CO -0.03 -0.28 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.15 1x1j s ARG 708 N -2.89 0.94 -0.24 3.99 3.52 -0.26 -1.50 118.95 122.51 1x1j s ARG 708 Ca 0.19 -0.13 -0.06 0.00 -0.13 0.00 0.00 55.73 55.60 1x1j s ARG 708 Cb -0.06 -1.42 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 1x1j s ARG 708 CO 0.09 -0.36 0.04 -2.00 -0.81 0.00 0.00 175.30 172.25 1x1j s GLU 709 N 1.85 3.59 -0.43 5.12 2.12 0.13 -0.06 118.70 131.02 1x1j s GLU 709 Ca 0.04 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 54.73 1x1j s GLU 709 Cb -0.13 -3.23 0.06 0.00 0.26 0.00 0.00 34.13 31.09 1x1j s GLU 709 CO -0.07 -0.16 0.30 0.42 -0.54 0.00 0.00 175.26 175.21 1x1j s ILE 710 N 1.50 4.79 -0.16 -3.70 -1.09 0.23 -4.60 121.20 118.18 1x1j s ILE 710 Ca 0.06 -1.07 -0.21 0.00 -2.23 0.00 0.00 60.65 57.20 1x1j s ILE 710 Cb -0.15 -3.82 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1x1j s ILE 710 CO 0.02 -0.45 0.66 0.00 -1.23 0.00 0.00 174.94 173.94 1x1j n ALA 711 N 5.07 -1.06 -1.21 9.38 0.00 -1.26 -0.56 120.51 130.86 1x1j n ALA 711 Ca -0.11 0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1x1j n ALA 711 Cb 0.44 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1x1j n ALA 711 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x1j n ASP 712 N 1.47 -2.69 0.04 0.00 10.43 -1.26 -4.68 116.55 119.85 1x1j n ASP 712 Ca 0.13 0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.71 1x1j n ASP 712 Cb -0.01 -2.55 0.00 0.00 1.84 0.00 0.00 41.12 40.40 1x1j n ASP 712 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1x1j n GLU 713 N -1.46 0.00 -3.50 -1.24 1.02 0.28 -4.79 120.64 110.95 1x1j n GLU 713 Ca -0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.96 1x1j n GLU 713 Cb 0.32 -0.41 -0.02 0.00 -0.02 0.00 0.00 31.44 31.31 1x1j n GLU 713 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1x1j s ARG 714 N -2.00 1.02 -0.11 3.49 1.70 -0.90 -1.56 118.95 120.59 1x1j s ARG 714 Ca 0.00 -0.40 -0.01 0.00 -0.47 0.00 0.00 55.73 54.85 1x1j s ARG 714 Cb 0.00 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.86 1x1j s ARG 714 CO 0.00 -0.45 -0.06 -1.17 -1.08 0.00 0.00 175.30 172.54 1x1j s LEU 715 N -2.61 1.10 0.19 -1.89 2.96 0.37 -0.60 118.68 118.19 1x1j s LEU 715 Ca 0.04 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1x1j s LEU 715 Cb -0.01 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 1x1j s LEU 715 CO -0.09 -0.14 0.43 -1.61 -1.32 0.00 0.00 176.35 173.61 1x1j s GLU 716 N 1.76 3.62 -0.17 1.98 2.02 0.91 -0.27 118.70 128.56 1x1j s GLU 716 Ca 0.04 -0.08 -0.13 0.00 0.02 0.00 0.00 54.97 54.83 1x1j s GLU 716 Cb -0.13 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.36 1x1j s GLU 716 CO -0.08 0.40 0.43 0.00 0.02 0.00 0.00 175.26 176.04 1x1j s ALA 717 N -1.78 -1.09 -0.03 5.21 0.00 0.39 -1.10 121.76 123.36 1x1j s ALA 717 Ca 0.42 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1x1j s ALA 717 Cb -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1x1j s ALA 717 CO 0.26 -0.24 -0.16 -1.12 0.00 0.00 0.00 175.76 174.50 1x1j s SER 718 N 0.79 1.95 0.01 0.00 0.01 -0.11 -0.35 113.70 115.99 1x1j s SER 718 Ca -0.05 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.92 1x1j s SER 718 Cb -0.05 -0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.73 1x1j s SER 718 CO -0.06 0.16 -0.04 -0.69 0.41 0.00 0.00 173.24 173.02 1x1j s VAL 719 N -0.08 0.30 0.05 3.43 1.01 0.10 -2.08 120.40 123.13 1x1j s VAL 719 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1x1j s VAL 719 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1x1j s VAL 719 CO 0.01 -0.04 0.05 -0.94 0.00 0.00 0.00 175.10 174.18 1x1j s SER 720 N -0.42 0.30 -0.51 3.32 1.04 -0.83 0.05 113.70 116.65 1x1j s SER 720 Ca -0.02 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.58 1x1j s SER 720 Cb -0.03 0.23 0.13 0.00 0.10 0.00 0.00 66.02 66.45 1x1j s SER 720 CO -0.00 -0.58 0.37 -0.62 0.98 0.00 0.00 173.24 173.40 1x1j s ASP 721 N -2.56 5.66 0.46 7.02 3.68 -1.26 -1.95 116.67 127.72 1x1j s ASP 721 Ca 0.01 -2.12 0.21 0.00 2.13 0.00 0.00 52.55 52.78 1x1j s ASP 721 Cb 0.03 -1.98 1.14 0.00 -1.45 0.00 0.00 42.92 40.66 1x1j s ASP 721 CO -0.08 -0.62 1.97 -0.65 0.13 0.00 0.00 175.17 175.92 1x1j h PRO 722 N 8.15 0.00 0.00 4.34 0.11 -1.87 -2.68 132.00 140.05 1x1j h PRO 722 Ca -0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 1x1j h PRO 722 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1x1j h PRO 722 CO 0.81 0.21 -0.14 1.79 -0.21 0.00 0.00 178.00 180.45 1x1j h THR 723 N 0.00 0.75 -1.79 -1.15 1.35 -1.83 -3.36 112.91 106.87 1x1j h THR 723 Ca -0.00 -0.58 -0.38 0.00 -0.55 0.00 0.00 66.41 64.90 1x1j h THR 723 Cb 0.45 1.35 -0.11 0.00 -1.73 0.00 0.00 68.15 68.11 1x1j h THR 723 CO 0.03 0.14 -0.39 0.00 -0.25 0.00 0.00 175.52 175.05 1x1j n GLN 724 N -3.85 -1.54 0.00 4.72 6.02 -1.01 -4.79 117.38 116.93 1x1j n GLN 724 Ca -0.02 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 1x1j n GLN 724 Cb 0.24 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.02 1x1j n GLN 724 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x1j n ALA 725 N 0.09 1.79 -2.30 -1.58 0.00 -1.26 -4.81 120.51 112.44 1x1j n ALA 725 Ca -0.20 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1x1j n ALA 725 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1x1j n ALA 725 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x1j s ASN 726 N -0.58 6.88 0.00 0.00 3.84 -1.26 -4.88 114.94 118.93 1x1j s ASN 726 Ca 0.00 1.90 0.21 0.00 0.21 0.00 0.00 52.86 55.18 1x1j s ASN 726 Cb 0.00 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.69 1x1j s ASN 726 CO 0.00 -0.77 1.45 0.59 -2.79 0.00 0.00 177.10 175.58 1x1j n ASN 727 N 6.32 2.83 0.00 -4.21 5.03 -1.26 -3.48 115.26 120.49 1x1j n ASN 727 Ca 0.14 -1.92 0.00 0.00 0.87 0.00 0.00 54.58 53.67 1x1j n ASN 727 Cb 0.44 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1x1j n ASN 727 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x1j n GLY 728 N 1.37 2.17 3.36 7.41 0.00 -1.26 -4.56 105.19 113.67 1x1j n GLY 728 Ca 0.18 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1x1j n GLY 728 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x1j s THR 729 N 2.48 0.43 -0.16 2.61 -4.23 -1.26 -2.23 115.64 113.27 1x1j s THR 729 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1x1j s THR 729 Cb 0.00 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1x1j s THR 729 CO 0.00 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.26 1x1j s ILE 730 N -3.55 1.95 -0.29 2.99 1.01 -0.72 -4.89 121.20 117.70 1x1j s ILE 730 Ca 0.34 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 1x1j s ILE 730 Cb 0.05 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1x1j s ILE 730 CO 0.17 0.52 0.46 0.00 0.00 0.00 0.00 174.94 176.09 1x1j s ALA 731 N 1.22 3.55 0.06 9.38 0.00 -1.26 -0.77 121.76 133.94 1x1j s ALA 731 Ca 0.02 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1x1j s ALA 731 Cb -0.14 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1x1j s ALA 731 CO -0.10 -0.84 -0.21 0.42 0.00 0.00 0.00 175.76 175.03 1x1j s ILE 732 N 2.24 2.56 -0.01 0.00 -1.09 0.11 -2.51 121.20 122.51 1x1j s ILE 732 Ca 0.18 -1.32 0.03 0.00 -2.23 0.00 0.00 60.65 57.31 1x1j s ILE 732 Cb -0.16 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.65 1x1j s ILE 732 CO 0.10 0.30 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.33 1x1j s GLU 733 N -1.50 0.71 -0.10 2.79 2.12 -0.56 -1.57 118.70 120.60 1x1j s GLU 733 Ca 0.14 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.18 1x1j s GLU 733 Cb -0.10 -0.69 0.01 0.00 0.26 0.00 0.00 34.13 33.60 1x1j s GLU 733 CO 0.05 0.19 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.25 1x1j s LEU 734 N -0.22 1.95 -0.99 2.70 1.43 0.87 -1.41 118.68 123.02 1x1j s LEU 734 Ca 0.03 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1x1j s LEU 734 Cb -0.03 -1.24 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 1x1j s LEU 734 CO -0.00 0.11 2.49 0.00 0.23 0.00 0.00 176.35 179.18 1x1j n ALA 735 N 3.69 5.64 -3.27 4.21 0.00 0.16 -1.91 120.51 129.04 1x1j n ALA 735 Ca -0.20 -2.36 -0.14 0.00 0.00 0.00 0.00 53.44 50.74 1x1j n ALA 735 Cb 0.52 -3.00 -0.09 0.00 0.00 0.00 0.00 19.45 16.89 1x1j n ALA 735 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x1j s ARG 736 N 2.71 0.66 -0.18 0.00 1.81 -1.26 -4.98 118.95 117.71 1x1j s ARG 736 Ca 0.51 -0.01 -0.12 0.00 -1.72 0.00 0.00 55.73 54.38 1x1j s ARG 736 Cb 0.15 0.30 -0.05 0.00 -0.45 0.00 0.00 34.95 34.90 1x1j s ARG 736 CO -0.04 -0.17 0.23 0.45 -0.68 0.00 0.00 175.30 175.10 1x1j s SER 737 N -1.03 6.34 0.25 0.23 0.15 -1.25 -2.02 113.70 116.37 1x1j s SER 737 Ca -0.11 0.39 0.08 0.00 0.70 0.00 0.00 55.95 57.01 1x1j s SER 737 Cb -0.04 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1x1j s SER 737 CO 0.04 0.11 0.09 0.00 1.20 0.00 0.00 173.24 174.69 1x1j s ALA 738 N 0.51 3.36 -0.22 5.45 0.00 0.12 -2.92 121.76 128.06 1x1j s ALA 738 Ca 0.13 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.62 1x1j s ALA 738 Cb -0.12 -1.04 -0.17 0.00 0.00 0.00 0.00 23.12 21.79 1x1j s ALA 738 CO 0.02 0.27 -0.14 0.39 0.00 0.00 0.00 175.76 176.30 1x1j n GLU 739 N -0.98 0.69 -3.84 0.00 -0.58 0.21 -4.44 120.64 111.69 1x1j n GLU 739 Ca -0.07 0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.70 1x1j n GLU 739 Cb 0.58 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 30.00 1x1j n GLU 739 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1x1j s GLY 740 N -6.04 0.28 0.16 0.62 0.00 -1.19 -4.99 107.32 96.17 1x1j s GLY 740 Ca -0.26 -0.60 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 1x1j s GLY 740 CO 0.59 0.97 0.75 1.58 0.00 0.00 0.00 173.10 176.99 1x1j n TYR 741 N -0.61 -1.28 -3.58 1.90 4.11 -1.26 0.34 117.16 116.78 1x1j n TYR 741 Ca -0.06 -1.01 -0.16 0.00 -0.00 0.00 0.00 57.90 56.67 1x1j n TYR 741 Cb 0.60 0.49 -0.07 0.00 -0.00 0.00 0.00 39.34 40.36 1x1j n TYR 741 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1x1j s SER 742 N -2.78 -0.62 0.12 9.48 1.04 -1.00 -4.99 113.70 114.95 1x1j s SER 742 Ca 0.16 0.84 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 1x1j s SER 742 Cb -0.02 0.76 0.03 0.00 0.10 0.00 0.00 66.02 66.89 1x1j s SER 742 CO 0.05 -0.48 0.37 0.00 0.98 0.00 0.00 173.24 174.16 1x1j s ALA 743 N -0.74 -0.81 0.65 5.32 0.00 -1.26 -1.51 121.76 123.41 1x1j s ALA 743 Ca -0.08 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 1x1j s ALA 743 Cb -0.02 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 1x1j s ALA 743 CO 0.07 -0.63 1.17 -0.51 0.00 0.00 0.00 175.76 175.86 1x1j s ASP 744 N -2.82 4.88 0.47 0.00 -0.00 -0.12 -4.94 116.67 114.16 1x1j s ASP 744 Ca 0.04 2.24 -0.24 0.00 -0.00 0.00 0.00 52.55 54.59 1x1j s ASP 744 Cb 0.02 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.92 40.29 1x1j s ASP 744 CO -0.12 -1.79 1.32 -2.16 -0.00 0.00 0.00 175.17 172.42 1x1j s PRO 745 N -3.75 3.59 0.00 8.23 0.04 -1.26 -2.52 135.00 139.34 1x1j s PRO 745 Ca 0.73 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1x1j s PRO 745 Cb -0.26 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1x1j s PRO 745 CO 0.39 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1x1j n GLY 746 N 0.63 2.09 3.79 0.56 0.00 -1.26 -5.00 105.19 106.00 1x1j n GLY 746 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1x1j n GLY 746 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1j s ILE 747 N -2.08 5.44 -0.15 -0.61 1.01 -1.05 -0.35 121.20 123.42 1x1j s ILE 747 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1x1j s ILE 747 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.04 1x1j s ILE 747 CO 0.00 0.51 -0.15 -0.89 0.00 0.00 0.00 174.94 174.41 1x1j s THR 748 N -0.21 1.65 -0.17 2.92 2.01 -0.69 -4.90 115.64 116.25 1x1j s THR 748 Ca 0.11 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1x1j s THR 748 Cb -0.11 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1x1j s THR 748 CO 0.01 0.47 0.65 -0.69 -0.69 0.00 0.00 174.62 174.37 1x1j s VAL 749 N 1.43 5.02 -0.46 3.82 1.01 -1.26 -1.21 120.40 128.74 1x1j s VAL 749 Ca 0.04 1.25 0.16 0.00 0.00 0.00 0.00 61.98 63.44 1x1j s VAL 749 Cb -0.13 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 32.07 1x1j s VAL 749 CO -0.11 0.13 0.56 0.35 0.00 0.00 0.00 175.10 176.03 1x1j n THR 750 N 4.53 0.00 -3.56 3.92 -2.24 0.47 -4.97 114.28 112.43 1x1j n THR 750 Ca -0.01 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1x1j n THR 750 Cb 0.50 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 1x1j n THR 750 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1x1j s GLN 751 N -2.80 0.90 0.00 -0.78 0.74 -0.86 -4.96 119.66 111.91 1x1j s GLN 751 Ca 0.01 0.45 0.00 0.00 0.05 0.00 0.00 55.36 55.87 1x1j s GLN 751 Cb 0.12 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.66 1x1j s GLN 751 CO 0.68 -0.23 0.00 1.28 -0.55 0.00 0.00 175.29 176.47 1x1j n LEU 752 N 1.42 0.00 -3.75 3.68 4.77 -1.23 -0.99 117.00 120.90 1x1j n LEU 752 Ca -0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 1x1j n LEU 752 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1x1j n LEU 752 CO 0.16 0.00 0.04 0.00 -1.33 0.00 0.00 177.39 176.26 1x1j s ALA 753 N -1.83 -0.86 0.35 -1.18 0.00 -1.26 0.12 121.76 117.10 1x1j s ALA 753 Ca 0.00 0.62 0.39 0.00 0.00 0.00 0.00 51.96 52.96 1x1j s ALA 753 Cb 0.00 -0.18 1.88 0.00 0.00 0.00 0.00 23.12 24.82 1x1j s ALA 753 CO 0.00 -0.23 2.16 -1.00 0.00 0.00 0.00 175.76 176.69 1x1j h PRO 754 N 4.49 0.00 -4.77 0.00 0.13 -1.97 -3.49 132.00 126.39 1x1j h PRO 754 Ca -0.28 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.58 1x1j h PRO 754 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1x1j h PRO 754 CO 0.35 0.00 -0.68 0.95 -0.23 0.00 0.00 178.00 178.39 1x1j s THR 755 N -3.89 0.75 -0.07 1.56 -4.23 -1.26 -3.74 115.64 104.76 1x1j s THR 755 Ca -0.02 -1.97 -0.26 0.00 -1.18 0.00 0.00 61.69 58.26 1x1j s THR 755 Cb 0.11 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1x1j s THR 755 CO 0.47 -0.68 0.81 -0.63 -0.54 0.00 0.00 174.62 174.04 1x1j s ILE 756 N -3.60 4.96 -0.03 2.99 1.01 -0.80 -3.50 121.20 122.23 1x1j s ILE 756 Ca 0.18 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.50 1x1j s ILE 756 Cb 0.05 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.40 1x1j s ILE 756 CO -0.00 0.17 -0.01 -0.54 0.00 0.00 0.00 174.94 174.56 1x1j s LYS 757 N 1.17 0.41 0.12 2.79 1.02 -0.16 -0.09 119.74 125.00 1x1j s LYS 757 Ca 0.42 0.01 -0.21 0.00 0.02 0.00 0.00 55.97 56.21 1x1j s LYS 757 Cb -0.18 -0.53 0.06 0.00 -0.52 0.00 0.00 37.83 36.65 1x1j s LYS 757 CO 0.20 -0.09 0.53 -0.59 -0.92 0.00 0.00 175.35 174.47 1x1j s PHE 758 N 0.84 -0.43 0.22 3.18 -0.71 -0.61 -0.39 117.98 120.09 1x1j s PHE 758 Ca -0.09 0.27 0.09 0.00 -1.04 0.00 0.00 56.93 56.17 1x1j s PHE 758 Cb -0.12 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1x1j s PHE 758 CO -0.01 -0.75 -0.08 0.95 -1.34 0.00 0.00 175.22 173.99 1x1j s THR 759 N -3.37 3.17 -0.18 -4.49 -4.23 -0.35 -0.71 115.64 105.49 1x1j s THR 759 Ca -0.00 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1x1j s THR 759 Cb -0.00 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1x1j s THR 759 CO -0.09 -0.23 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.94 1x1j s VAL 760 N -1.99 1.69 -0.51 2.29 1.01 0.05 -1.70 120.40 121.24 1x1j s VAL 760 Ca 0.27 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 1x1j s VAL 760 Cb -0.08 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1x1j s VAL 760 CO 0.16 0.33 1.44 0.20 0.00 0.00 0.00 175.10 177.23 1x1j s ASN 761 N 1.41 6.16 0.00 3.32 0.01 0.53 -1.76 114.94 124.61 1x1j s ASN 761 Ca 0.02 0.48 0.13 0.00 -0.71 0.00 0.00 52.86 52.78 1x1j s ASN 761 Cb -0.14 -2.54 0.32 0.00 0.41 0.00 0.00 41.25 39.29 1x1j s ASN 761 CO -0.10 -1.64 1.23 1.33 -1.51 0.00 0.00 177.10 176.41 1x1j n VAL 762 N 6.96 0.78 -1.67 1.60 0.24 -0.95 -4.87 118.33 120.42 1x1j n VAL 762 Ca 0.14 -0.89 -0.42 0.00 -2.04 0.00 0.00 64.34 61.13 1x1j n VAL 762 Cb 0.49 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 1x1j n VAL 762 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1x1j s ASN 763 N -1.03 6.09 -0.36 -1.34 2.47 -1.23 -1.44 114.94 118.10 1x1j s ASN 763 Ca 0.26 2.35 0.00 0.00 0.42 0.00 0.00 52.86 55.89 1x1j s ASN 763 Cb 0.14 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 1x1j s ASN 763 CO 0.19 -1.39 0.00 0.61 -3.72 0.00 0.00 177.10 172.79 1x1j n GLY 764 N 4.98 0.60 0.23 1.21 0.00 -1.26 -4.90 105.19 106.05 1x1j n GLY 764 Ca 0.23 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1x1j n GLY 764 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1j h ALA 765 N 0.00 1.00 -6.20 4.61 0.00 -1.58 -3.47 119.26 113.62 1x1j h ALA 765 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.38 1x1j h ALA 765 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x1j h ALA 765 CO 0.10 0.00 -0.74 1.63 0.00 0.00 0.00 179.25 180.24 1x1j n LYS 766 N -2.78 -6.12 -1.06 0.00 4.76 -1.26 -2.43 118.16 109.27 1x1j n LYS 766 Ca 0.01 0.65 -0.02 0.00 -2.87 0.00 0.00 58.31 56.08 1x1j n LYS 766 Cb 0.24 -5.59 -0.01 0.00 -1.84 0.00 0.00 35.03 27.84 1x1j n LYS 766 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1j n GLY 767 N -1.77 0.54 3.85 0.72 0.00 -1.25 -4.63 105.19 102.65 1x1j n GLY 767 Ca 0.04 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1x1j n GLY 767 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x1j s LYS 768 N -1.29 3.58 -0.11 1.61 -2.85 -1.02 -4.78 119.74 114.88 1x1j s LYS 768 Ca 0.00 0.85 -0.09 0.00 -1.00 0.00 0.00 55.97 55.73 1x1j s LYS 768 Cb 0.00 -2.08 -0.04 0.00 -2.06 0.00 0.00 37.83 33.65 1x1j s LYS 768 CO 0.00 -0.58 0.19 -1.12 0.10 0.00 0.00 175.35 173.94 1x1j s SER 769 N -3.77 6.44 -0.15 0.03 0.01 -1.26 -4.34 113.70 110.65 1x1j s SER 769 Ca 0.57 0.53 -0.04 0.00 1.31 0.00 0.00 55.95 58.31 1x1j s SER 769 Cb -0.11 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1x1j s SER 769 CO 0.47 0.36 -0.02 -0.36 0.41 0.00 0.00 173.24 174.10 1x1j s PHE 770 N -0.82 3.07 0.01 2.43 0.40 0.11 -4.87 117.98 118.31 1x1j s PHE 770 Ca 0.16 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1x1j s PHE 770 Cb -0.13 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1x1j s PHE 770 CO 0.05 0.04 0.06 -1.58 0.70 0.00 0.00 175.22 174.49 1x1j s HIS 771 N 0.27 3.22 -0.05 0.36 2.46 -1.26 -0.72 115.29 119.57 1x1j s HIS 771 Ca -0.02 0.15 -0.07 0.00 0.47 0.00 0.00 55.06 55.60 1x1j s HIS 771 Cb -0.14 -1.70 0.01 0.00 -0.13 0.00 0.00 32.58 30.63 1x1j s HIS 771 CO 0.02 0.53 0.17 0.00 -2.47 0.00 0.00 174.74 172.99 1x1j s ALA 772 N -1.21 -0.42 -0.12 1.58 0.00 0.52 -0.94 121.76 121.18 1x1j s ALA 772 Ca 0.23 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1x1j s ALA 772 Cb -0.12 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1x1j s ALA 772 CO 0.15 -0.12 -0.10 0.45 0.00 0.00 0.00 175.76 176.14 1x1j s SER 773 N -0.31 2.25 -0.12 0.00 0.15 -0.57 -0.46 113.70 114.64 1x1j s SER 773 Ca -0.04 -0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 1x1j s SER 773 Cb -0.03 -0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 63.33 1x1j s SER 773 CO 0.01 -0.08 -0.04 -0.36 1.20 0.00 0.00 173.24 173.96 1x1j s PHE 774 N 1.51 3.02 -0.31 3.44 0.40 0.63 -2.37 117.98 124.31 1x1j s PHE 774 Ca 0.02 -0.15 -0.27 0.00 -0.60 0.00 0.00 56.93 55.93 1x1j s PHE 774 Cb -0.13 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1x1j s PHE 774 CO -0.07 0.13 0.96 -1.14 0.70 0.00 0.00 175.22 175.80 1x1j s GLN 775 N -0.10 4.04 0.43 0.44 0.74 0.15 -0.48 119.66 124.88 1x1j s GLN 775 Ca 0.02 0.91 -0.19 0.00 0.05 0.00 0.00 55.36 56.15 1x1j s GLN 775 Cb -0.13 -3.73 -0.10 0.00 1.10 0.00 0.00 33.01 30.15 1x1j s GLN 775 CO 0.03 -0.79 0.92 -0.51 -0.55 0.00 0.00 175.29 174.38 1x1j s LEU 776 N 3.35 3.91 0.00 3.68 1.43 -0.60 0.63 118.68 131.08 1x1j s LEU 776 Ca 0.40 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1x1j s LEU 776 Cb -0.13 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1x1j s LEU 776 CO 0.13 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.95