#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khk s GLN 7 N 0.00 2.24 0.33 -1.09 1.03 -1.26 -5.05 119.66 115.85 3khk s GLN 7 Ca 0.00 -2.13 0.17 0.00 0.04 0.00 0.00 55.36 53.45 3khk s GLN 7 Cb 0.00 -1.92 0.18 0.00 0.03 0.00 0.00 33.01 31.31 3khk s GLN 7 CO 0.00 -0.51 1.51 0.27 -2.54 0.00 0.00 175.29 174.02 3khk h PHE 8 N 0.98 0.00 -0.84 9.60 -0.00 -2.03 -3.41 116.94 121.23 3khk h PHE 8 Ca -0.39 0.00 0.14 0.00 -0.00 0.00 0.00 57.97 57.72 3khk h PHE 8 Cb 1.30 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.11 3khk h PHE 8 CO 1.13 0.37 -0.28 1.28 -0.00 0.00 0.00 178.31 180.81 3khk n LEU 9 N -3.21 -0.45 -0.22 2.10 4.77 -1.26 0.39 117.00 119.12 3khk n LEU 9 Ca 0.02 1.45 -0.04 0.00 -0.03 0.00 0.00 56.01 57.41 3khk n LEU 9 Cb 0.67 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3khk n LEU 9 CO 0.39 -1.34 1.11 0.78 -1.33 0.00 0.00 177.39 177.00 3khk h ASN 10 N 0.00 0.64 -0.41 -1.43 2.35 -1.99 1.26 115.58 116.00 3khk h ASN 10 Ca 0.33 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.99 3khk h ASN 10 Cb 0.54 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3khk h ASN 10 CO -0.84 0.45 -0.12 0.44 -1.65 0.00 0.00 177.43 175.71 3khk h ASP 11 N 0.77 0.82 -0.28 5.81 3.32 0.43 -2.58 116.42 124.70 3khk h ASP 11 Ca 0.25 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 3khk h ASP 11 Cb 0.01 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3khk h ASP 11 CO -0.10 1.00 -0.31 0.25 -1.72 0.00 0.00 179.24 178.36 3khk h LEU 12 N 0.62 0.76 -0.45 1.55 7.12 0.78 0.45 115.31 126.15 3khk h LEU 12 Ca 0.10 -0.48 0.07 0.00 0.13 0.00 0.00 57.88 57.70 3khk h LEU 12 Cb 0.66 -0.21 -0.09 0.00 -0.53 0.00 0.00 40.66 40.48 3khk h LEU 12 CO 0.04 1.09 -0.42 0.44 -0.13 0.00 0.00 178.44 179.46 3khk h ASP 13 N 0.44 -1.42 -0.57 1.25 3.32 0.15 -0.57 116.42 119.02 3khk h ASP 13 Ca 0.04 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3khk h ASP 13 Cb 0.89 0.63 -0.03 0.00 0.22 0.00 0.00 39.33 41.04 3khk h ASP 13 CO 0.08 -0.36 0.37 0.78 -1.72 0.00 0.00 179.24 178.39 3khk h ASN 14 N -0.30 0.66 -0.65 6.45 2.35 -0.96 0.75 115.58 123.88 3khk h ASN 14 Ca 0.15 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3khk h ASN 14 Cb 0.58 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 3khk h ASN 14 CO -0.60 0.49 0.22 -0.61 -1.65 0.00 0.00 177.43 175.28 3khk h GLN 15 N 0.78 1.03 0.18 0.81 4.15 0.17 -0.96 115.11 121.27 3khk h GLN 15 Ca 0.21 -0.20 -0.31 0.00 0.77 0.00 0.00 58.65 59.12 3khk h GLN 15 Cb -0.08 -0.16 0.02 0.00 0.21 0.00 0.00 27.48 27.47 3khk h GLN 15 CO -0.04 0.87 -1.38 -0.07 -1.93 0.00 0.00 178.83 176.27 3khk h LEU 16 N 0.99 0.59 -0.10 -2.39 3.38 -0.72 -3.21 115.31 113.86 3khk h LEU 16 Ca 0.22 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.55 3khk h LEU 16 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3khk h LEU 16 CO -0.01 1.52 -0.00 -0.25 0.09 0.00 0.00 178.44 179.78 3khk h TRP 17 N 0.10 -0.01 -0.52 1.13 2.91 0.66 0.31 115.95 120.53 3khk h TRP 17 Ca -0.20 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.81 3khk h TRP 17 Cb 2.06 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 30.71 3khk h TRP 17 CO 0.09 -0.02 0.24 -0.09 -1.03 0.00 0.00 178.44 177.63 3khk h ARG 18 N 0.03 0.75 -0.15 2.65 2.43 -1.33 0.18 114.38 118.94 3khk h ARG 18 Ca 0.04 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3khk h ARG 18 Cb 0.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3khk h ARG 18 CO -0.08 0.63 -0.21 0.00 -1.51 0.00 0.00 179.97 178.80 3khk h ALA 19 N 1.08 1.38 0.00 2.80 0.00 -1.50 -1.01 119.26 122.00 3khk h ALA 19 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3khk h ALA 19 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3khk h ALA 19 CO -0.02 0.43 -0.12 0.00 0.00 0.00 0.00 179.25 179.54 3khk h ALA 20 N 1.55 0.92 0.07 0.00 0.00 0.08 -3.29 119.26 118.59 3khk h ALA 20 Ca 0.04 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3khk h ALA 20 Cb 0.51 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.30 3khk h ALA 20 CO 0.03 0.15 -0.68 0.22 0.00 0.00 0.00 179.25 178.97 3khk h ASP 21 N 0.00 0.49 0.00 0.00 -0.00 0.15 -3.23 116.42 113.82 3khk h ASP 21 Ca -0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 57.03 56.18 3khk h ASP 21 Cb 1.08 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 40.25 3khk h ASP 21 CO 0.02 1.29 0.08 0.29 -0.00 0.00 0.00 179.24 180.91 3khk n LYS 22 N -4.19 0.09 -0.13 0.28 5.02 -0.46 -1.22 118.16 117.55 3khk n LYS 22 Ca -0.12 0.57 0.06 0.00 -2.02 0.00 0.00 58.31 56.80 3khk n LYS 22 Cb 0.74 -1.88 0.12 0.00 -0.02 0.00 0.00 35.03 33.99 3khk n LYS 22 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3khk n LEU 23 N -2.00 2.64 -0.00 -0.35 4.77 -1.22 -4.74 117.00 116.10 3khk n LEU 23 Ca -0.01 -1.69 0.14 0.00 -0.03 0.00 0.00 56.01 54.42 3khk n LEU 23 Cb 0.10 -0.16 0.63 0.00 -2.33 0.00 0.00 43.42 41.66 3khk n LEU 23 CO 0.06 0.62 0.95 -2.11 -1.33 0.00 0.00 177.39 175.59 3khk n ARG 24 N 0.57 0.10 0.00 3.23 1.85 -0.36 -4.94 116.66 117.11 3khk n ARG 24 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 3khk n ARG 24 Cb 0.39 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 3khk n ARG 24 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3khk n SER 25 N -1.45 0.00 0.07 2.89 2.88 -1.26 -2.18 113.62 114.57 3khk n SER 25 Ca 0.09 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.74 3khk n SER 25 Cb 0.32 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.23 3khk n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3khk n ASN 26 N -0.16 0.46 -4.70 -3.46 3.02 -1.26 -4.92 115.26 104.25 3khk n ASN 26 Ca 0.00 0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 54.71 3khk n ASN 26 Cb 0.00 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.45 3khk n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3khk s LEU 27 N -3.94 4.32 0.18 3.41 1.02 -0.93 -4.97 118.68 117.77 3khk s LEU 27 Ca 0.08 2.02 -0.32 0.00 0.02 0.00 0.00 54.13 55.93 3khk s LEU 27 Cb 0.12 -3.57 -0.11 0.00 0.02 0.00 0.00 46.19 42.65 3khk s LEU 27 CO 0.45 -0.61 1.78 0.47 0.02 0.00 0.00 176.35 178.46 3khk n ASP 28 N 4.81 4.06 -0.22 2.29 8.00 -1.26 -4.72 116.55 129.51 3khk n ASP 28 Ca 0.11 1.03 0.03 0.00 0.71 0.00 0.00 54.79 56.67 3khk n ASP 28 Cb 0.45 -1.57 0.08 0.00 -0.02 0.00 0.00 41.12 40.06 3khk n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khk n ALA 29 N 4.68 0.12 -0.36 2.24 0.00 -1.26 0.62 120.51 126.55 3khk n ALA 29 Ca 0.17 0.66 0.26 0.00 0.00 0.00 0.00 53.44 54.52 3khk n ALA 29 Cb 0.36 -0.38 0.52 0.00 0.00 0.00 0.00 19.45 19.95 3khk n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khk h ALA 30 N 1.16 2.25 0.03 0.00 0.00 -1.89 -0.66 119.26 120.15 3khk h ALA 30 Ca 0.28 0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.95 3khk h ALA 30 Cb 0.43 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3khk h ALA 30 CO -0.62 -0.75 -2.08 0.09 0.00 0.00 0.00 179.25 175.88 3khk n ASN 31 N -4.74 1.12 -0.04 0.00 5.03 0.20 -4.39 115.26 112.45 3khk n ASN 31 Ca 0.29 0.17 -0.12 0.00 0.87 0.00 0.00 54.58 55.79 3khk n ASN 31 Cb 1.01 -0.03 -0.07 0.00 -1.02 0.00 0.00 39.78 39.67 3khk n ASN 31 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3khk h TYR 32 N 0.02 0.22 -0.94 3.10 3.20 -0.39 -3.04 116.97 119.13 3khk h TYR 32 Ca -0.44 -0.04 0.26 0.00 3.14 0.00 0.00 58.73 61.66 3khk h TYR 32 Cb 2.06 -0.06 -0.14 0.00 1.54 0.00 0.00 36.73 40.13 3khk h TYR 32 CO 0.02 0.44 0.43 1.57 -1.64 0.00 0.00 178.16 178.98 3khk h LYS 33 N -0.06 0.32 -0.47 1.82 2.10 -1.37 0.96 116.57 119.87 3khk h LYS 33 Ca 0.03 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 3khk h LYS 33 Cb 0.34 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 3khk h LYS 33 CO 0.01 0.21 0.23 0.45 -2.00 0.00 0.00 179.45 178.35 3khk h HIS 34 N 0.33 0.64 0.15 0.07 3.86 -1.73 0.45 115.15 118.91 3khk h HIS 34 Ca 0.63 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.82 3khk h HIS 34 Cb 1.32 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.59 3khk h HIS 34 CO -0.12 0.47 -0.07 0.28 0.86 0.00 0.00 177.93 179.35 3khk h VAL 35 N 0.65 0.99 0.46 2.45 2.07 0.90 -2.23 116.25 121.54 3khk h VAL 35 Ca 0.17 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3khk h VAL 35 Cb 0.06 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3khk h VAL 35 CO -0.02 0.16 -0.22 0.58 0.02 0.00 0.00 177.57 178.08 3khk h VAL 36 N -0.53 0.54 0.04 2.57 2.07 -0.98 -1.75 116.25 118.21 3khk h VAL 36 Ca -0.02 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3khk h VAL 36 Cb 0.41 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3khk h VAL 36 CO 0.03 0.03 -0.02 -0.07 0.02 0.00 0.00 177.57 177.57 3khk h LEU 37 N -0.72 -0.04 -0.96 2.57 3.38 -0.22 0.33 115.31 119.64 3khk h LEU 37 Ca -0.06 -0.20 0.18 0.00 0.09 0.00 0.00 57.88 57.89 3khk h LEU 37 Cb 0.53 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.18 3khk h LEU 37 CO 0.10 0.18 0.55 1.23 0.09 0.00 0.00 178.44 180.59 3khk h GLY 38 N -0.26 1.68 0.99 0.83 0.00 -1.50 0.13 103.07 104.93 3khk h GLY 38 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3khk h GLY 38 CO 0.01 -0.08 0.29 1.41 0.00 0.00 0.00 176.54 178.16 3khk h LEU 39 N 0.69 0.59 -0.65 3.11 3.38 -0.70 -1.99 115.31 119.74 3khk h LEU 39 Ca 0.55 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.47 3khk h LEU 39 Cb 0.87 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3khk h LEU 39 CO -0.40 0.48 0.42 0.40 0.09 0.00 0.00 178.44 179.44 3khk h ILE 40 N 0.65 1.14 -0.60 1.22 2.04 0.12 -1.53 117.51 120.55 3khk h ILE 40 Ca 0.17 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3khk h ILE 40 Cb 0.00 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 3khk h ILE 40 CO -0.03 0.16 0.31 0.15 0.00 0.00 0.00 178.15 178.73 3khk h PHE 41 N 0.85 0.57 -0.21 1.37 3.57 -0.71 -1.92 116.94 120.45 3khk h PHE 41 Ca 0.24 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3khk h PHE 41 Cb -0.07 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3khk h PHE 41 CO -0.03 0.26 -0.02 1.25 -2.23 0.00 0.00 178.31 177.54 3khk h LEU 42 N 0.58 0.29 -0.15 0.59 5.85 -0.52 -2.11 115.31 119.83 3khk h LEU 42 Ca 0.27 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 3khk h LEU 42 Cb 0.20 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3khk h LEU 42 CO -0.19 0.36 -0.84 0.50 -0.34 0.00 0.00 178.44 177.92 3khk h LYS 43 N 0.31 0.71 0.14 1.25 3.64 -0.76 -3.20 116.57 118.67 3khk h LYS 43 Ca 0.07 -0.63 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 3khk h LYS 43 Cb 0.24 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3khk h LYS 43 CO 0.01 1.23 -0.11 -0.92 -2.27 0.00 0.00 179.45 177.39 3khk h TYR 44 N 0.46 -0.31 -0.94 1.91 3.20 -0.83 -1.95 116.97 118.52 3khk h TYR 44 Ca -0.07 0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.07 3khk h TYR 44 Cb 1.47 0.12 -0.14 0.00 1.54 0.00 0.00 36.73 39.72 3khk h TYR 44 CO 0.08 -0.16 0.39 0.28 -1.64 0.00 0.00 178.16 177.12 3khk h VAL 45 N -0.25 0.32 0.72 1.81 2.07 -1.53 0.21 116.25 119.60 3khk h VAL 45 Ca -0.02 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3khk h VAL 45 Cb 0.21 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3khk h VAL 45 CO 0.00 0.05 -0.35 0.28 0.02 0.00 0.00 177.57 177.58 3khk h SER 46 N 0.28 -0.82 -0.32 0.57 0.02 -1.56 -2.67 113.55 109.05 3khk h SER 46 Ca 0.63 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.65 3khk h SER 46 Cb 1.35 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 64.03 3khk h SER 46 CO -0.63 -0.55 -0.47 0.44 -1.14 0.00 0.00 176.83 174.48 3khk h ASP 47 N -1.04 -1.57 -0.82 3.07 5.19 -0.17 0.43 116.42 121.51 3khk h ASP 47 Ca -0.10 0.20 0.20 0.00 -0.62 0.00 0.00 57.03 56.71 3khk h ASP 47 Cb 0.74 0.64 -0.13 0.00 0.18 0.00 0.00 39.33 40.75 3khk h ASP 47 CO 0.16 -0.35 0.13 0.00 -3.12 0.00 0.00 179.24 176.06 3khk h ALA 48 N -0.27 1.03 0.59 3.45 0.00 -1.40 0.63 119.26 123.29 3khk h ALA 48 Ca 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3khk h ALA 48 Cb 0.52 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3khk h ALA 48 CO -0.49 -0.43 -0.28 0.35 0.00 0.00 0.00 179.25 178.40 3khk h PHE 49 N 0.17 -0.73 -0.53 0.00 3.57 -0.43 0.11 116.94 119.10 3khk h PHE 49 Ca 0.48 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.12 3khk h PHE 49 Cb 0.91 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 3khk h PHE 49 CO -0.34 -0.45 0.53 1.49 -2.23 0.00 0.00 178.31 177.31 3khk h GLU 50 N -1.12 0.00 0.00 1.11 4.81 0.01 0.78 114.58 120.18 3khk h GLU 50 Ca -0.08 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 3khk h GLU 50 Cb 0.60 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.99 3khk h GLU 50 CO 0.13 0.00 -0.46 1.49 -0.73 0.00 0.00 179.01 179.44 3khk h GLU 51 N 0.00 0.31 -0.27 1.92 4.81 0.39 -2.68 114.58 119.06 3khk h GLU 51 Ca 0.25 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 3khk h GLU 51 Cb 1.30 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 3khk h GLU 51 CO -0.00 1.03 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.98 3khk h ARG 52 N -0.28 0.52 -0.35 1.92 9.65 0.20 0.25 114.38 126.28 3khk h ARG 52 Ca -0.06 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3khk h ARG 52 Cb 1.20 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 3khk h ARG 52 CO 0.09 0.72 0.22 1.96 2.80 0.00 0.00 179.97 185.77 3khk h GLN 53 N 0.46 0.47 -0.23 0.20 4.20 0.32 -1.79 115.11 118.73 3khk h GLN 53 Ca 0.07 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3khk h GLN 53 Cb 0.67 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3khk h GLN 53 CO 0.05 0.33 -0.05 0.37 -0.67 0.00 0.00 178.83 178.86 3khk h GLN 54 N 0.47 0.01 0.00 1.46 4.15 -0.97 0.80 115.11 121.03 3khk h GLN 54 Ca 0.13 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3khk h GLN 54 Cb -0.03 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3khk h GLN 54 CO -0.03 0.01 0.00 1.05 -1.93 0.00 0.00 178.83 177.93 3khk h GLU 55 N 0.01 0.00 0.00 1.69 4.11 -0.31 -1.50 114.58 118.59 3khk h GLU 55 Ca 0.11 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.30 3khk h GLU 55 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3khk h GLU 55 CO -0.23 0.00 -1.33 -0.07 0.07 0.00 0.00 179.01 177.46 3khk h LEU 56 N 0.00 0.00 -2.28 3.06 3.38 -0.79 -3.11 115.31 115.56 3khk h LEU 56 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3khk h LEU 56 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3khk h LEU 56 CO 0.00 0.97 -0.04 0.74 0.09 0.00 0.00 178.44 180.20 3khk h THR 57 N 0.00 0.52 0.10 0.22 2.02 0.23 -2.46 112.91 113.55 3khk h THR 57 Ca -0.14 -0.20 -0.35 0.00 0.77 0.00 0.00 66.41 66.48 3khk h THR 57 Cb 1.87 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 3khk h THR 57 CO 0.10 0.04 -1.95 -0.62 0.37 0.00 0.00 175.52 173.47 3khk n GLU 58 N -3.74 0.74 0.07 6.66 -0.58 -1.15 -4.08 120.64 118.56 3khk n GLU 58 Ca -0.03 0.27 -0.03 0.00 -0.42 0.00 0.00 57.16 56.95 3khk n GLU 58 Cb 0.14 -1.72 0.21 0.00 -0.57 0.00 0.00 31.44 29.49 3khk n GLU 58 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3khk h LEU 59 N 0.06 0.32 -1.42 -4.62 3.38 -1.43 -1.97 115.31 109.63 3khk h LEU 59 Ca -0.40 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3khk h LEU 59 Cb 2.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 3khk h LEU 59 CO 0.09 0.69 0.02 -0.26 0.09 0.00 0.00 178.44 179.07 3khk h PHE 60 N 0.26 0.40 -0.01 1.13 0.04 -1.58 -3.14 116.94 114.04 3khk h PHE 60 Ca 0.03 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3khk h PHE 60 Cb 0.81 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.84 3khk h PHE 60 CO 0.02 0.39 -0.34 1.04 -0.60 0.00 0.00 178.31 178.82 3khk n GLN 61 N -4.34 1.04 -2.69 1.51 6.02 -0.83 0.08 117.38 118.17 3khk n GLN 61 Ca 0.01 -0.74 -0.43 0.00 -0.01 0.00 0.00 57.00 55.83 3khk n GLN 61 Cb 0.20 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 3khk n GLN 61 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3khk s LYS 62 N -2.47 4.16 -0.62 -1.09 2.20 -0.80 -4.99 119.74 116.12 3khk s LYS 62 Ca 0.22 1.17 -0.23 0.00 -0.36 0.00 0.00 55.97 56.77 3khk s LYS 62 Cb 0.19 -3.68 0.06 0.00 -1.51 0.00 0.00 37.83 32.88 3khk s LYS 62 CO 0.54 -0.73 0.94 0.34 -0.36 0.00 0.00 175.35 176.07 3khk s ASP 63 N 1.42 6.22 -0.29 1.43 -1.08 -1.26 -4.71 116.67 118.40 3khk s ASP 63 Ca 0.43 -0.81 -0.16 0.00 -0.52 0.00 0.00 52.55 51.49 3khk s ASP 63 Cb -0.14 -2.42 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 3khk s ASP 63 CO 0.10 -1.35 0.89 -0.62 0.52 0.00 0.00 175.17 174.71 3khk s ASP 64 N 3.39 -0.64 0.23 -0.34 -1.08 -1.26 -5.07 116.67 111.90 3khk s ASP 64 Ca 0.24 1.03 -0.02 0.00 -0.52 0.00 0.00 52.55 53.28 3khk s ASP 64 Cb -0.16 1.26 0.24 0.00 -1.46 0.00 0.00 42.92 42.80 3khk s ASP 64 CO 0.13 -0.16 1.63 0.44 0.52 0.00 0.00 175.17 177.72 3khk h ASP 65 N 6.32 0.64 0.54 -0.34 3.32 -2.05 -2.68 116.42 122.17 3khk h ASP 65 Ca -0.29 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3khk h ASP 65 Cb 1.20 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3khk h ASP 65 CO 0.18 0.91 0.00 0.47 -1.72 0.00 0.00 179.24 179.09 3khk n ASP 66 N -4.08 0.45 -4.73 6.45 8.00 -1.26 -4.56 116.55 116.82 3khk n ASP 66 Ca -0.01 0.63 -0.40 0.00 0.71 0.00 0.00 54.79 55.72 3khk n ASP 66 Cb 0.47 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 3khk n ASP 66 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3khk s ASN 67 N -3.83 7.11 -0.00 -2.24 2.47 -1.01 -4.97 114.94 112.46 3khk s ASN 67 Ca 0.04 1.33 0.16 0.00 0.42 0.00 0.00 52.86 54.80 3khk s ASN 67 Cb 0.08 -2.44 -0.17 0.00 -1.45 0.00 0.00 41.25 37.27 3khk s ASN 67 CO 0.31 -0.05 0.66 -0.38 -3.72 0.00 0.00 177.10 173.92 3khk n ILE 68 N 3.29 0.00 1.17 -5.21 -0.00 -1.26 -4.34 119.36 113.01 3khk n ILE 68 Ca -0.02 -0.14 0.14 0.00 -0.00 0.00 0.00 62.75 62.73 3khk n ILE 68 Cb 0.51 0.98 0.56 0.00 -0.00 0.00 0.00 39.64 41.69 3khk n ILE 68 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3khk n TYR 69 N -1.39 0.00 -2.08 1.39 4.01 -1.26 -4.94 117.16 112.90 3khk n TYR 69 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3khk n TYR 69 Cb 0.25 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 3khk n TYR 69 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3khk s TYR 70 N -2.79 2.48 -0.46 -0.72 5.04 -1.24 -4.00 117.35 115.66 3khk s TYR 70 Ca 0.20 0.50 -0.19 0.00 -2.44 0.00 0.00 57.07 55.13 3khk s TYR 70 Cb 0.19 -3.82 0.04 0.00 0.35 0.00 0.00 41.96 38.71 3khk s TYR 70 CO 0.54 -3.26 0.56 -0.51 -1.34 0.00 0.00 175.55 171.54 3khk s LEU 71 N 2.93 4.81 -0.17 6.97 1.43 0.11 -5.00 118.68 129.77 3khk s LEU 71 Ca 0.69 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3khk s LEU 71 Cb -0.34 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3khk s LEU 71 CO 0.29 -0.75 1.78 -2.84 0.23 0.00 0.00 176.35 175.06 3khk s PRO 72 N 2.50 3.76 0.26 1.29 0.02 -1.26 -4.71 135.00 136.85 3khk s PRO 72 Ca 0.16 1.91 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 3khk s PRO 72 Cb -0.17 -4.11 0.37 0.00 0.02 0.00 0.00 34.50 30.61 3khk s PRO 72 CO 0.14 -1.35 1.89 -0.09 -0.33 0.00 0.00 177.00 177.26 3khk h ARG 73 N 11.37 1.17 -0.50 5.54 9.65 -1.95 -2.04 114.38 137.62 3khk h ARG 73 Ca -0.38 -0.07 0.14 0.00 -1.10 0.00 0.00 59.98 58.58 3khk h ARG 73 Cb 1.18 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 3khk h ARG 73 CO 0.98 0.77 0.48 1.05 2.80 0.00 0.00 179.97 186.06 3khk h GLU 74 N 1.20 0.00 0.00 0.20 4.11 -2.01 0.33 114.58 118.41 3khk h GLU 74 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 3khk h GLU 74 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3khk h GLU 74 CO -0.15 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.68 3khk n ASP 75 N -3.83 0.08 -4.77 3.06 9.92 -0.77 -4.84 116.55 115.40 3khk n ASP 75 Ca 0.09 0.52 -0.23 0.00 -0.53 0.00 0.00 54.79 54.64 3khk n ASP 75 Cb 0.69 -0.54 -0.06 0.00 -0.64 0.00 0.00 41.12 40.57 3khk n ASP 75 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3khk s TYR 76 N -3.03 2.69 -0.41 1.24 2.02 0.12 -5.06 117.35 114.91 3khk s TYR 76 Ca 0.09 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3khk s TYR 76 Cb 0.13 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3khk s TYR 76 CO 0.37 0.18 0.72 -0.25 -1.57 0.00 0.00 175.55 175.00 3khk n ASP 77 N -1.28 1.53 -3.52 2.29 8.00 -1.26 -5.03 116.55 117.27 3khk n ASP 77 Ca -0.01 -1.34 -0.08 0.00 0.71 0.00 0.00 54.79 54.06 3khk n ASP 77 Cb 0.62 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 3khk n ASP 77 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3khk s SER 78 N -0.46 -0.37 0.04 -2.24 0.15 -1.26 -5.02 113.70 104.54 3khk s SER 78 Ca 0.05 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 3khk s SER 78 Cb 0.03 0.43 -0.17 0.00 -1.71 0.00 0.00 66.02 64.60 3khk s SER 78 CO 0.05 -0.71 1.41 -0.78 1.20 0.00 0.00 173.24 174.41 3khk h ASP 79 N 2.00 -0.61 -0.94 5.45 3.58 -1.98 -1.82 116.42 122.09 3khk h ASP 79 Ca -0.24 -0.04 0.20 0.00 0.42 0.00 0.00 57.03 57.37 3khk h ASP 79 Cb 1.25 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 42.38 3khk h ASP 79 CO 0.31 -0.32 0.61 -0.33 -2.88 0.00 0.00 179.24 176.63 3khk h GLU 80 N -0.88 0.50 0.00 0.28 3.07 -1.98 0.31 114.58 115.87 3khk h GLU 80 Ca -0.07 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 3khk h GLU 80 Cb 0.61 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3khk h GLU 80 CO 0.12 0.33 -0.33 0.00 -1.40 0.00 0.00 179.01 177.73 3khk h ALA 81 N 1.61 0.90 0.02 3.43 0.00 -1.94 -1.80 119.26 121.50 3khk h ALA 81 Ca 0.51 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 3khk h ALA 81 Cb 1.11 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.87 3khk h ALA 81 CO -0.24 0.41 -1.06 -0.92 0.00 0.00 0.00 179.25 177.44 3khk h TYR 82 N 0.00 0.96 -0.76 0.00 3.20 0.34 -3.17 116.97 117.53 3khk h TYR 82 Ca -0.00 -0.54 -0.03 0.00 3.14 0.00 0.00 58.73 61.30 3khk h TYR 82 Cb 0.99 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 3khk h TYR 82 CO 0.00 1.37 0.38 1.96 -1.64 0.00 0.00 178.16 180.23 3khk h GLN 83 N 0.34 1.09 -0.80 1.82 1.08 -0.54 -2.07 115.11 116.03 3khk h GLN 83 Ca -0.13 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 3khk h GLN 83 Cb 1.72 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 28.91 3khk h GLN 83 CO 0.20 0.84 0.53 0.37 -0.95 0.00 0.00 178.83 179.83 3khk h GLN 84 N 1.07 1.06 -0.23 1.46 4.15 -1.42 0.62 115.11 121.82 3khk h GLN 84 Ca 0.26 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 3khk h GLN 84 Cb 0.11 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3khk h GLN 84 CO -0.03 0.70 -0.04 0.00 -1.93 0.00 0.00 178.83 177.53 3khk h ALA 85 N 1.29 0.32 -0.01 3.38 0.00 -1.48 -1.42 119.26 121.34 3khk h ALA 85 Ca 0.29 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3khk h ALA 85 Cb -0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3khk h ALA 85 CO -0.06 0.09 -0.50 0.82 0.00 0.00 0.00 179.25 179.60 3khk h ILE 86 N 0.18 0.05 -0.60 0.00 2.04 -1.18 0.21 117.51 118.21 3khk h ILE 86 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.03 3khk h ILE 86 Cb 0.49 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3khk h ILE 86 CO 0.02 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.57 3khk h ALA 87 N -0.28 2.09 0.22 1.87 0.00 -0.74 0.13 119.26 122.54 3khk h ALA 87 Ca 0.03 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 3khk h ALA 87 Cb 0.70 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.47 3khk h ALA 87 CO -0.35 -0.24 -1.41 0.93 0.00 0.00 0.00 179.25 178.18 3khk h GLU 88 N 0.35 0.55 -0.95 0.00 5.08 -0.82 -3.16 114.58 115.63 3khk h GLU 88 Ca 0.28 -0.88 0.07 0.00 -1.00 0.00 0.00 59.36 57.83 3khk h GLU 88 Cb 0.64 0.32 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 3khk h GLU 88 CO -0.07 1.42 0.61 0.93 -1.00 0.00 0.00 179.01 180.90 3khk h GLU 89 N 0.18 1.06 -0.81 2.33 4.39 0.11 0.13 114.58 121.96 3khk h GLU 89 Ca -0.23 -0.06 0.13 0.00 0.34 0.00 0.00 59.36 59.54 3khk h GLU 89 Cb 2.10 -0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 30.42 3khk h GLU 89 CO 0.26 0.70 0.41 -0.07 -1.16 0.00 0.00 179.01 179.15 3khk h LEU 90 N 1.09 0.49 0.00 1.33 3.38 -0.86 -2.39 115.31 118.35 3khk h LEU 90 Ca 0.41 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3khk h LEU 90 Cb 0.19 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3khk h LEU 90 CO -0.16 0.22 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 3khk n GLU 91 N -4.88 0.45 -2.86 1.13 1.02 0.43 -4.60 120.64 111.33 3khk n GLU 91 Ca 0.15 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 3khk n GLU 91 Cb 0.39 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 3khk n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3khk s ILE 92 N -2.00 4.45 0.62 -3.67 1.01 -0.90 -4.94 121.20 115.77 3khk s ILE 92 Ca 0.05 0.35 0.32 0.00 0.00 0.00 0.00 60.65 61.37 3khk s ILE 92 Cb 0.02 -4.49 0.37 0.00 0.01 0.00 0.00 42.46 38.37 3khk s ILE 92 CO 0.04 -1.01 2.13 1.23 0.00 0.00 0.00 174.94 177.33 3khk h GLY 93 N 10.76 0.00 1.13 6.18 0.00 -1.90 -2.98 103.07 116.26 3khk h GLY 93 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3khk h GLY 93 CO 1.06 0.00 0.56 -0.55 0.00 0.00 0.00 176.54 177.61 3khk h ASP 94 N 0.00 1.02 0.57 0.19 3.32 -1.95 -2.22 116.42 117.35 3khk h ASP 94 Ca 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3khk h ASP 94 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3khk h ASP 94 CO -0.00 0.75 0.00 1.88 -1.72 0.00 0.00 179.24 180.15 3khk h TYR 95 N 1.19 0.00 0.04 4.55 0.05 -1.91 0.17 116.97 121.06 3khk h TYR 95 Ca 0.32 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.72 3khk h TYR 95 Cb -0.11 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.58 3khk h TYR 95 CO 0.00 0.00 -2.20 0.66 -1.05 0.00 0.00 178.16 175.57 3khk n TYR 96 N -2.64 0.51 0.13 4.88 4.01 -0.86 -4.25 117.16 118.95 3khk n TYR 96 Ca 0.00 0.13 0.03 0.00 -0.16 0.00 0.00 57.90 57.90 3khk n TYR 96 Cb 0.19 -1.06 0.40 0.00 -0.31 0.00 0.00 39.34 38.56 3khk n TYR 96 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3khk h THR 97 N -0.25 1.17 0.00 -0.72 2.02 -1.36 1.21 112.91 114.97 3khk h THR 97 Ca -0.53 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 65.89 3khk h THR 97 Cb 1.83 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3khk h THR 97 CO -0.10 0.24 0.00 1.05 0.37 0.00 0.00 175.52 177.07 3khk h GLU 98 N 0.19 0.00 0.00 6.66 4.11 -1.14 -2.87 114.58 121.53 3khk h GLU 98 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3khk h GLU 98 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3khk h GLU 98 CO 0.02 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.73 3khk n LYS 99 N -2.67 0.67 -2.62 1.06 4.76 -1.20 -5.01 118.16 113.14 3khk n LYS 99 Ca 0.01 -0.87 -0.04 0.00 -2.87 0.00 0.00 58.31 54.54 3khk n LYS 99 Cb 0.26 -0.96 0.01 0.00 -1.84 0.00 0.00 35.03 32.50 3khk n LYS 99 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3khk n ASN 100 N -0.20 -2.63 -4.80 4.39 3.02 -0.94 -5.07 115.26 109.03 3khk n ASN 100 Ca 0.00 -0.09 -0.36 0.00 -0.03 0.00 0.00 54.58 54.10 3khk n ASN 100 Cb 0.13 -1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 37.98 3khk n ASN 100 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khk s VAL 101 N -3.05 5.15 -0.05 2.41 1.01 0.41 -4.99 120.40 121.29 3khk s VAL 101 Ca 0.08 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 3khk s VAL 101 Cb -0.04 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3khk s VAL 101 CO 0.12 0.59 0.24 -0.36 0.00 0.00 0.00 175.10 175.69 3khk s PHE 102 N -0.79 3.61 -0.04 5.22 0.08 -1.26 -3.47 117.98 121.34 3khk s PHE 102 Ca 0.13 0.62 -0.30 0.00 0.12 0.00 0.00 56.93 57.50 3khk s PHE 102 Cb -0.12 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 3khk s PHE 102 CO 0.03 0.67 1.47 -0.46 -0.10 0.00 0.00 175.22 176.83 3khk s TRP 103 N -1.15 2.55 -0.40 0.36 -0.11 -1.26 -4.86 118.94 114.06 3khk s TRP 103 Ca 0.22 0.62 -0.07 0.00 1.22 0.00 0.00 56.10 58.08 3khk s TRP 103 Cb -0.13 -3.74 0.08 0.00 -1.50 0.00 0.00 33.47 28.18 3khk s TRP 103 CO 0.11 -2.86 0.22 0.08 -4.62 0.00 0.00 176.95 169.88 3khk s VAL 104 N 3.09 3.96 1.01 5.86 1.01 -1.26 -4.77 120.40 129.30 3khk s VAL 104 Ca 0.66 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3khk s VAL 104 Cb -0.31 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.67 3khk s VAL 104 CO 0.26 -0.48 0.17 -2.65 0.00 0.00 0.00 175.10 172.40 3khk n PRO 105 N 4.84 -0.70 -0.32 2.72 -0.02 -1.26 -4.71 135.00 135.54 3khk n PRO 105 Ca -0.09 -0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.20 3khk n PRO 105 Cb 0.43 -1.74 0.05 0.00 -0.02 0.00 0.00 33.50 32.21 3khk n PRO 105 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3khk h LYS 106 N -1.69 -0.04 0.07 -0.52 1.57 -1.98 -2.86 116.57 111.11 3khk h LYS 106 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3khk h LYS 106 Cb 1.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3khk h LYS 106 CO 0.35 -0.03 -0.03 1.79 -0.57 0.00 0.00 179.45 180.96 3khk h THR 107 N -0.04 0.97 0.00 -0.16 1.35 -1.99 -3.01 112.91 110.03 3khk h THR 107 Ca 0.33 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 66.05 3khk h THR 107 Cb 0.60 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3khk h THR 107 CO -0.90 0.03 -0.14 0.00 -0.25 0.00 0.00 175.52 174.26 3khk h ALA 108 N 0.79 1.20 -2.13 6.62 0.00 -1.79 -3.44 119.26 120.51 3khk h ALA 108 Ca -0.01 -0.13 -0.60 0.00 0.00 0.00 0.00 54.91 54.17 3khk h ALA 108 Cb 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.93 3khk h ALA 108 CO 0.02 0.18 0.88 0.54 0.00 0.00 0.00 179.25 180.87 3khk n ARG 109 N -3.55 2.07 0.02 0.00 1.74 -1.13 -4.89 116.66 110.91 3khk n ARG 109 Ca -0.01 0.75 -0.10 0.00 -0.77 0.00 0.00 57.85 57.72 3khk n ARG 109 Cb 0.28 -2.54 -0.03 0.00 -1.02 0.00 0.00 32.46 29.15 3khk n ARG 109 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3khk h TRP 110 N 7.03 -0.55 -0.42 -1.55 2.91 -1.89 -2.23 115.95 119.25 3khk h TRP 110 Ca -0.46 0.02 0.09 0.00 1.13 0.00 0.00 58.89 59.68 3khk h TRP 110 Cb 1.27 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 30.15 3khk h TRP 110 CO 0.72 -0.29 0.29 -0.91 -1.03 0.00 0.00 178.44 177.22 3khk h ASN 111 N -0.29 0.13 -0.17 2.65 2.35 -1.97 0.26 115.58 118.54 3khk h ASN 111 Ca 0.09 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 3khk h ASN 111 Cb 0.41 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3khk h ASN 111 CO -0.25 0.08 -0.49 0.50 -1.65 0.00 0.00 177.43 175.61 3khk h LYS 112 N 0.14 0.75 -0.17 0.81 1.63 -1.76 -3.36 116.57 114.61 3khk h LYS 112 Ca 0.20 -0.44 -0.16 0.00 -0.85 0.00 0.00 60.65 59.39 3khk h LYS 112 Cb 0.59 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 3khk h LYS 112 CO -0.03 1.06 -0.57 -0.07 -3.45 0.00 0.00 179.45 176.39 3khk h LEU 113 N 0.59 0.61 -1.00 5.20 3.38 -0.09 -3.01 115.31 120.99 3khk h LEU 113 Ca 0.03 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.77 3khk h LEU 113 Cb 1.06 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 3khk h LEU 113 CO 0.10 1.05 0.63 -0.09 0.09 0.00 0.00 178.44 180.22 3khk h ARG 114 N 0.41 1.01 0.00 1.13 2.43 -1.64 -2.83 114.38 114.90 3khk h ARG 114 Ca 0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3khk h ARG 114 Cb 1.12 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3khk h ARG 114 CO 0.11 0.67 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.42 3khk h ASP 115 N 1.04 0.00 -0.38 -3.80 3.45 -1.70 -3.41 116.42 111.61 3khk h ASP 115 Ca 0.48 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 57.33 3khk h ASP 115 Cb 0.40 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.13 3khk h ASP 115 CO -0.24 0.07 2.22 0.52 -1.57 0.00 0.00 179.24 180.24 3khk n VAL 116 N -2.99 2.97 -0.05 -1.35 0.31 -1.07 -4.51 118.33 111.64 3khk n VAL 116 Ca 0.02 -2.88 -0.22 0.00 -0.01 0.00 0.00 64.34 61.26 3khk n VAL 116 Cb 0.57 -2.37 -0.13 0.00 -0.91 0.00 0.00 33.84 31.00 3khk n VAL 116 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3khk n ILE 117 N 6.29 1.67 0.00 2.52 -0.00 -1.26 -4.93 119.36 123.65 3khk n ILE 117 Ca 0.49 -0.39 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 3khk n ILE 117 Cb 0.43 -1.85 0.00 0.00 -0.00 0.00 0.00 39.64 38.22 3khk n ILE 117 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 3khk n THR 118 N -3.88 0.00 -2.35 1.39 5.66 -1.26 -4.74 114.28 109.09 3khk n THR 118 Ca -0.33 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 3khk n THR 118 Cb 0.89 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 3khk n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3khk n LEU 119 N 0.00 0.00 0.01 1.09 -0.00 -1.26 -4.95 117.00 111.89 3khk n LEU 119 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.20 3khk n LEU 119 Cb 0.00 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.10 3khk n LEU 119 CO 0.00 0.00 1.18 -0.65 -0.00 0.00 0.00 177.39 177.92 3khk h PRO 120 N 0.00 0.01 -1.42 1.47 0.11 -2.02 -3.49 132.00 126.66 3khk h PRO 120 Ca 0.00 -0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.70 3khk h PRO 120 Cb 0.00 -0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 3khk h PRO 120 CO 0.00 0.01 -1.06 2.41 -0.21 0.00 0.00 178.00 179.14 3khk n THR 121 N -4.39 0.13 -2.02 -1.15 -1.04 -1.26 -5.03 114.28 99.52 3khk n THR 121 Ca 0.09 -3.70 -0.37 0.00 -2.04 0.00 0.00 64.05 58.03 3khk n THR 121 Cb 0.57 0.24 0.02 0.00 -1.82 0.00 0.00 70.33 69.34 3khk n THR 121 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3khk s SER 138 N -2.39 5.52 0.32 8.00 1.04 -1.26 -4.93 113.70 120.00 3khk s SER 138 Ca 0.34 2.48 0.12 0.00 0.48 0.00 0.00 55.95 59.36 3khk s SER 138 Cb 0.37 -2.61 0.53 0.00 0.10 0.00 0.00 66.02 64.41 3khk s SER 138 CO -0.05 -1.38 1.72 -0.37 0.98 0.00 0.00 173.24 174.14 3khk h VAL 139 N 1.37 1.35 -0.82 5.02 -1.51 -1.96 -2.08 116.25 117.62 3khk h VAL 139 Ca -0.50 -1.71 0.15 0.00 -1.23 0.00 0.00 66.70 63.40 3khk h VAL 139 Cb 1.28 1.93 -0.06 0.00 -2.13 0.00 0.00 31.29 32.31 3khk h VAL 139 CO 0.57 0.49 0.54 0.28 -1.23 0.00 0.00 177.57 178.22 3khk h SER 140 N 0.00 0.49 -0.81 4.19 0.02 -1.95 -0.94 113.55 114.55 3khk h SER 140 Ca -0.00 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3khk h SER 140 Cb 0.89 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3khk h SER 140 CO 0.06 0.25 0.53 -0.25 -1.14 0.00 0.00 176.83 176.28 3khk h TRP 141 N 0.52 1.00 0.33 3.45 7.01 -1.77 -2.81 115.95 123.68 3khk h TRP 141 Ca 0.41 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.42 3khk h TRP 141 Cb 0.83 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3khk h TRP 141 CO -0.00 0.61 -0.16 1.25 -2.79 0.00 0.00 178.44 177.34 3khk h LEU 142 N 1.06 -0.38 0.00 0.65 5.85 -1.19 -0.06 115.31 121.24 3khk h LEU 142 Ca 0.31 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3khk h LEU 142 Cb -0.07 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3khk h LEU 142 CO -0.09 -0.16 -0.29 0.40 -0.34 0.00 0.00 178.44 177.97 3khk h ILE 143 N -0.59 0.35 -0.69 4.05 1.08 -1.54 0.44 117.51 120.62 3khk h ILE 143 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 3khk h ILE 143 Cb 0.43 0.35 -0.07 0.00 -3.07 0.00 0.00 36.82 34.47 3khk h ILE 143 CO 0.08 0.00 0.33 -0.78 -0.69 0.00 0.00 178.15 177.09 3khk h ASP 144 N -0.44 0.42 -0.41 1.72 -0.00 -1.45 0.18 116.42 116.45 3khk h ASP 144 Ca 0.06 0.06 -0.13 0.00 -0.00 0.00 0.00 57.03 57.02 3khk h ASP 144 Cb 0.53 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.84 3khk h ASP 144 CO -0.25 0.25 -0.27 -1.13 -0.00 0.00 0.00 179.24 177.84 3khk h ASN 145 N 0.57 0.94 0.09 2.28 -0.00 -0.30 -0.75 115.58 118.41 3khk h ASN 145 Ca 0.34 -0.43 0.02 0.00 -0.00 0.00 0.00 56.30 56.23 3khk h ASN 145 Cb 0.36 -0.26 -0.04 0.00 -0.00 0.00 0.00 38.32 38.37 3khk h ASN 145 CO -0.27 1.16 -0.35 0.00 -0.00 0.00 0.00 177.43 177.98 3khk h ALA 146 N 0.80 -0.58 -0.53 1.57 0.00 0.83 0.42 119.26 121.78 3khk h ALA 146 Ca 0.08 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3khk h ALA 146 Cb 0.84 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 3khk h ALA 146 CO 0.07 -0.89 -0.15 0.74 0.00 0.00 0.00 179.25 179.03 3khk h PHE 147 N -0.55 -0.32 0.09 0.00 0.04 -0.47 0.39 116.94 116.11 3khk h PHE 147 Ca 0.04 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.87 3khk h PHE 147 Cb 0.60 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.94 3khk h PHE 147 CO -0.32 -0.24 -0.40 0.22 -0.60 0.00 0.00 178.31 176.97 3khk h ASP 148 N -0.02 -1.19 -1.01 2.17 3.58 -0.77 0.29 116.42 119.47 3khk h ASP 148 Ca 0.25 0.13 0.27 0.00 0.42 0.00 0.00 57.03 58.10 3khk h ASP 148 Cb 0.40 0.44 -0.13 0.00 1.72 0.00 0.00 39.33 41.76 3khk h ASP 148 CO -0.55 -0.42 0.60 0.44 -2.88 0.00 0.00 179.24 176.43 3khk h ASP 149 N -0.57 0.61 -0.49 2.28 5.19 0.11 0.46 116.42 124.01 3khk h ASP 149 Ca -0.01 0.14 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 3khk h ASP 149 Cb 0.57 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 3khk h ASP 149 CO -0.21 0.04 -0.19 0.40 -3.12 0.00 0.00 179.24 176.15 3khk h ILE 150 N 0.50 1.27 0.44 0.35 2.04 0.44 -3.23 117.51 119.32 3khk h ILE 150 Ca 0.67 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3khk h ILE 150 Cb 1.38 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3khk h ILE 150 CO -0.49 0.47 -0.21 -0.33 0.00 0.00 0.00 178.15 177.59 3khk h GLU 151 N 0.87 -0.57 -0.13 2.37 5.08 0.12 -2.84 114.58 119.48 3khk h GLU 151 Ca 0.12 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3khk h GLU 151 Cb 0.77 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3khk h GLU 151 CO 0.06 -0.30 0.17 0.87 -1.00 0.00 0.00 179.01 178.81 3khk h LYS 152 N -0.75 0.00 0.00 2.33 1.79 -1.62 -0.27 116.57 118.04 3khk h LYS 152 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3khk h LYS 152 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3khk h LYS 152 CO 0.10 0.00 -0.00 0.00 -1.08 0.00 0.00 179.45 178.47 3khk h ALA 153 N 1.79 1.00 -1.95 3.86 0.00 -1.52 -3.39 119.26 119.04 3khk h ALA 153 Ca 0.06 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 3khk h ALA 153 Cb 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.83 3khk h ALA 153 CO -0.00 0.00 -0.99 0.09 0.00 0.00 0.00 179.25 178.35 3khk n ASN 154 N -2.98 -0.46 -0.42 0.00 3.02 -0.12 -4.67 115.26 109.63 3khk n ASN 154 Ca 0.04 -2.62 0.35 0.00 -0.03 0.00 0.00 54.58 52.33 3khk n ASN 154 Cb 0.52 -0.33 0.59 0.00 -0.61 0.00 0.00 39.78 39.95 3khk n ASN 154 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3khk n PRO 155 N 2.04 -0.03 0.12 3.52 -0.02 -1.21 0.47 135.00 139.89 3khk n PRO 155 Ca 0.23 1.06 0.07 0.00 -2.02 0.00 0.00 63.50 62.84 3khk n PRO 155 Cb 0.52 -2.12 0.36 0.00 -0.02 0.00 0.00 33.50 32.24 3khk n PRO 155 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3khk n LYS 156 N -4.34 0.09 -0.46 -0.52 5.02 -1.26 -1.81 118.16 114.87 3khk n LYS 156 Ca 0.35 0.55 0.06 0.00 -2.02 0.00 0.00 58.31 57.26 3khk n LYS 156 Cb 1.38 -1.92 0.19 0.00 -0.02 0.00 0.00 35.03 34.66 3khk n LYS 156 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3khk n LEU 157 N -1.97 2.78 -4.70 -0.35 4.32 0.18 -5.04 117.00 112.21 3khk n LEU 157 Ca -0.01 -3.64 -0.42 0.00 -0.02 0.00 0.00 56.01 51.92 3khk n LEU 157 Cb 0.15 -0.51 -0.03 0.00 -1.62 0.00 0.00 43.42 41.41 3khk n LEU 157 CO 0.06 1.17 0.89 -0.75 -1.22 0.00 0.00 177.39 177.54 3khk s LYS 158 N -3.13 4.42 0.00 3.23 2.47 -0.75 -3.58 119.74 122.40 3khk s LYS 158 Ca 0.37 1.71 0.00 0.00 -1.56 0.00 0.00 55.97 56.49 3khk s LYS 158 Cb 0.35 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 33.29 3khk s LYS 158 CO -0.03 -0.30 0.00 0.41 0.16 0.00 0.00 175.35 175.59 3khk n GLY 159 N 3.24 2.66 0.31 5.54 0.00 -1.26 -4.90 105.19 110.78 3khk n GLY 159 Ca 0.09 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.24 3khk n GLY 159 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3khk h ILE 160 N 0.00 0.41 -3.63 -0.61 2.04 -1.95 -3.42 117.51 110.35 3khk h ILE 160 Ca 0.00 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.25 3khk h ILE 160 Cb 0.00 0.96 -0.11 0.00 -0.74 0.00 0.00 36.82 36.93 3khk h ILE 160 CO 0.00 0.00 0.50 -0.76 0.00 0.00 0.00 178.15 177.89 3khk s LEU 161 N -7.36 4.09 -0.27 1.44 1.43 -1.26 -4.75 118.68 111.99 3khk s LEU 161 Ca -0.05 0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.86 3khk s LEU 161 Cb 0.15 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3khk s LEU 161 CO 0.52 -0.98 2.11 0.20 0.23 0.00 0.00 176.35 178.43 3khk s ASN 162 N 2.18 5.50 0.60 2.29 0.01 -1.26 -4.95 114.94 119.30 3khk s ASN 162 Ca 0.35 1.65 -0.16 0.00 -0.71 0.00 0.00 52.86 53.98 3khk s ASN 162 Cb -0.11 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 3khk s ASN 162 CO 0.24 -1.96 1.07 -0.13 -1.51 0.00 0.00 177.10 174.81 3khk s ARG 163 N 6.30 3.23 -0.19 -0.60 1.81 -1.26 -4.91 118.95 123.33 3khk s ARG 163 Ca 0.94 1.29 0.15 0.00 -1.72 0.00 0.00 55.73 56.39 3khk s ARG 163 Cb -0.29 -2.02 0.45 0.00 -0.45 0.00 0.00 34.95 32.64 3khk s ARG 163 CO 0.34 -0.89 1.19 0.44 -0.68 0.00 0.00 175.30 175.69 3khk n ILE 164 N -1.99 1.67 -0.00 1.52 -5.35 -1.26 -4.64 119.36 109.31 3khk n ILE 164 Ca 0.09 -2.95 -0.16 0.00 -0.27 0.00 0.00 62.75 59.47 3khk n ILE 164 Cb 0.52 0.03 -0.14 0.00 -1.74 0.00 0.00 39.64 38.31 3khk n ILE 164 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khk h SER 165 N 1.53 0.24 -0.34 7.28 0.02 -1.94 -3.38 113.55 116.96 3khk h SER 165 Ca 0.02 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.53 3khk h SER 165 Cb 1.37 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 3khk h SER 165 CO 0.24 1.46 -0.25 1.56 -1.14 0.00 0.00 176.83 178.70 3khk h GLN 166 N 0.04 -0.21 -6.54 3.45 4.20 -2.00 -3.35 115.11 110.71 3khk h GLN 166 Ca -0.35 0.01 -0.56 0.00 0.06 0.00 0.00 58.65 57.81 3khk h GLN 166 Cb 2.03 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.77 3khk h GLN 166 CO 0.09 -0.14 0.92 0.71 -0.67 0.00 0.00 178.83 179.74 3khk s TYR 167 N -6.08 2.68 -1.27 2.96 2.02 -1.26 -4.94 117.35 111.47 3khk s TYR 167 Ca -0.15 0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.94 3khk s TYR 167 Cb 0.13 -4.44 0.17 0.00 -0.40 0.00 0.00 41.96 37.42 3khk s TYR 167 CO 0.69 -1.47 2.04 1.04 -1.57 0.00 0.00 175.55 176.28 3khk n GLN 168 N 8.17 4.15 -2.00 -0.62 6.02 -1.26 -4.97 117.38 126.87 3khk n GLN 168 Ca 0.09 -3.63 -0.33 0.00 -0.01 0.00 0.00 57.00 53.12 3khk n GLN 168 Cb 0.49 -2.76 0.02 0.00 1.02 0.00 0.00 30.24 29.01 3khk n GLN 168 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3khk s LEU 169 N -1.31 3.48 0.12 1.08 2.96 -1.26 -5.01 118.68 118.74 3khk s LEU 169 Ca 0.44 1.86 -0.31 0.00 -0.22 0.00 0.00 54.13 55.91 3khk s LEU 169 Cb 0.13 -4.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.21 3khk s LEU 169 CO -0.03 -1.25 1.30 -0.62 -1.32 0.00 0.00 176.35 174.42 3khk s ASP 170 N -2.72 6.95 0.29 3.68 2.15 -1.26 -4.94 116.67 120.82 3khk s ASP 170 Ca 0.64 2.23 0.04 0.00 0.43 0.00 0.00 52.55 55.89 3khk s ASP 170 Cb -0.17 -2.59 0.75 0.00 -0.30 0.00 0.00 42.92 40.61 3khk s ASP 170 CO 0.37 -0.54 1.69 0.00 -0.17 0.00 0.00 175.17 176.52 3khk h ALA 171 N 6.41 1.45 0.00 3.66 0.00 -1.99 0.73 119.26 129.52 3khk h ALA 171 Ca -0.43 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3khk h ALA 171 Cb 1.21 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3khk h ALA 171 CO 0.82 -0.37 -0.00 0.38 0.00 0.00 0.00 179.25 180.07 3khk h ASP 172 N 0.37 0.00 0.02 0.00 2.03 -1.98 0.68 116.42 117.55 3khk h ASP 172 Ca 0.57 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.72 3khk h ASP 172 Cb 1.11 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.62 3khk h ASP 172 CO -0.55 0.00 -0.60 0.11 -1.03 0.00 0.00 179.24 177.18 3khk h LYS 173 N 0.00 0.37 -0.12 4.15 1.79 -1.24 -1.27 116.57 120.25 3khk h LYS 173 Ca -0.00 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3khk h LYS 173 Cb 0.53 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3khk h LYS 173 CO 0.00 1.11 0.07 1.25 -1.08 0.00 0.00 179.45 180.79 3khk h LEU 174 N -0.19 0.11 0.05 2.94 5.85 -0.77 0.51 115.31 123.81 3khk h LEU 174 Ca -0.08 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3khk h LEU 174 Cb 1.33 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 3khk h LEU 174 CO 0.12 0.08 -0.36 0.40 -0.34 0.00 0.00 178.44 178.34 3khk h ILE 175 N 0.14 0.25 -0.56 4.05 1.08 0.27 0.37 117.51 123.11 3khk h ILE 175 Ca 0.05 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.59 3khk h ILE 175 Cb -0.00 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 3khk h ILE 175 CO -0.02 0.00 0.37 1.23 -0.69 0.00 0.00 178.15 179.04 3khk h GLY 176 N -0.54 0.60 0.78 5.37 0.00 -0.98 0.42 103.07 108.72 3khk h GLY 176 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3khk h GLY 176 CO -0.25 0.13 -0.06 -2.00 0.00 0.00 0.00 176.54 174.36 3khk h LEU 177 N 0.47 -0.15 -0.62 3.11 5.85 0.95 -1.60 115.31 123.31 3khk h LEU 177 Ca 0.25 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3khk h LEU 177 Cb 0.37 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3khk h LEU 177 CO -0.07 0.10 0.27 0.40 -0.34 0.00 0.00 178.44 178.80 3khk h ILE 178 N -0.40 0.83 -0.80 4.05 2.04 0.69 -1.91 117.51 122.01 3khk h ILE 178 Ca -0.02 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3khk h ILE 178 Cb 0.32 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3khk h ILE 178 CO 0.03 0.09 0.53 0.78 0.00 0.00 0.00 178.15 179.57 3khk h ASN 179 N 0.48 0.85 0.89 1.72 2.35 -0.85 -2.98 115.58 118.04 3khk h ASN 179 Ca 0.30 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 3khk h ASN 179 Cb 0.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3khk h ASN 179 CO -0.27 0.58 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.51 3khk h GLU 180 N 0.98 0.00 0.00 0.81 4.39 -0.47 -3.00 114.58 117.29 3khk h GLU 180 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3khk h GLU 180 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3khk h GLU 180 CO -0.09 0.26 -0.60 1.19 -1.16 0.00 0.00 179.01 178.60 3khk n PHE 181 N -3.43 0.18 -1.69 4.33 3.72 -1.10 -5.01 117.46 114.46 3khk n PHE 181 Ca -0.00 0.05 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 3khk n PHE 181 Cb 0.44 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3khk n PHE 181 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3khk s SER 182 N -3.44 4.24 -0.03 4.37 0.01 -1.14 -5.14 113.70 112.57 3khk s SER 182 Ca 0.09 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.31 3khk s SER 182 Cb 0.16 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3khk s SER 182 CO 0.72 -3.53 -0.02 0.29 0.41 0.00 0.00 173.24 171.11 3khk n LYS 201 N 8.85 0.89 0.27 12.44 4.76 -1.26 -5.09 118.16 139.02 3khk n LYS 201 Ca 0.44 0.02 0.17 0.00 -2.87 0.00 0.00 58.31 56.07 3khk n LYS 201 Cb 0.45 -1.07 0.85 0.00 -1.84 0.00 0.00 35.03 33.42 3khk n LYS 201 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3khk h ASP 202 N 0.00 0.00 0.04 4.39 5.19 -2.04 -3.29 116.42 120.72 3khk h ASP 202 Ca -0.08 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.16 3khk h ASP 202 Cb 1.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3khk h ASP 202 CO -0.01 0.00 -0.92 0.40 -3.12 0.00 0.00 179.24 175.59 3khk h ILE 203 N 0.00 1.23 -1.10 0.35 2.04 -2.02 -3.40 117.51 114.61 3khk h ILE 203 Ca 0.05 -2.31 0.32 0.00 1.00 0.00 0.00 64.86 63.92 3khk h ILE 203 Cb 0.65 2.75 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 3khk h ILE 203 CO -0.00 0.53 0.87 -0.07 0.00 0.00 0.00 178.15 179.48 3khk h LEU 204 N -0.77 0.00 0.11 1.44 3.38 -1.95 0.45 115.31 117.97 3khk h LEU 204 Ca -0.23 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3khk h LEU 204 Cb 1.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 3khk h LEU 204 CO -0.06 0.00 -0.42 1.23 0.09 0.00 0.00 178.44 179.29 3khk h GLY 205 N 0.00 -0.84 0.81 0.83 0.00 -1.85 0.90 103.07 102.92 3khk h GLY 205 Ca 0.52 0.50 0.03 0.00 0.00 0.00 0.00 47.33 48.38 3khk h GLY 205 CO -0.01 -0.27 0.21 0.84 0.00 0.00 0.00 176.54 177.32 3khk h HIS 206 N -0.65 0.39 0.00 5.60 -0.00 -0.39 -1.87 115.15 118.23 3khk h HIS 206 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3khk h HIS 206 Cb 0.68 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 3khk h HIS 206 CO -0.37 0.20 0.00 0.28 -0.00 0.00 0.00 177.93 178.05 3khk n VAL 207 N -4.91 0.29 -0.13 5.26 0.31 -0.86 -1.67 118.33 116.61 3khk n VAL 207 Ca 0.02 0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.18 3khk n VAL 207 Cb 0.10 -0.78 -0.11 0.00 -0.91 0.00 0.00 33.84 32.14 3khk n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khk n TYR 208 N -1.18 0.09 0.21 3.52 9.36 0.31 -4.31 117.16 125.16 3khk n TYR 208 Ca 0.11 0.03 0.09 0.00 3.32 0.00 0.00 57.90 61.45 3khk n TYR 208 Cb 0.11 -1.01 0.42 0.00 -0.63 0.00 0.00 39.34 38.23 3khk n TYR 208 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3khk h GLU 209 N -0.53 0.00 0.33 2.98 5.08 -1.18 -1.72 114.58 119.53 3khk h GLU 209 Ca -0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.71 3khk h GLU 209 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3khk h GLU 209 CO -0.26 0.25 -0.16 -0.92 -1.00 0.00 0.00 179.01 176.92 3khk h TYR 210 N 0.00 -0.41 -0.66 4.33 3.20 -1.56 -1.29 116.97 120.57 3khk h TYR 210 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3khk h TYR 210 Cb 0.80 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 3khk h TYR 210 CO 0.00 -0.16 0.43 0.74 -1.64 0.00 0.00 178.16 177.53 3khk h PHE 211 N -0.59 0.81 -0.41 -3.82 -1.00 -1.70 0.68 116.94 110.92 3khk h PHE 211 Ca -0.05 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.78 3khk h PHE 211 Cb 0.43 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 3khk h PHE 211 CO -0.02 0.50 0.22 1.25 -1.61 0.00 0.00 178.31 178.65 3khk h LEU 212 N 0.87 0.33 0.01 1.54 5.85 -1.37 0.66 115.31 123.19 3khk h LEU 212 Ca 0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3khk h LEU 212 Cb -0.06 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3khk h LEU 212 CO -0.07 0.24 -0.02 1.23 -0.34 0.00 0.00 178.44 179.48 3khk h GLY 213 N 0.44 -0.03 2.00 3.75 0.00 -0.08 -2.08 103.07 107.07 3khk h GLY 213 Ca 0.17 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 3khk h GLY 213 CO -0.10 -0.02 -0.24 1.46 0.00 0.00 0.00 176.54 177.63 3khk h GLN 214 N -0.04 0.00 0.00 4.80 1.08 0.77 -0.78 115.11 120.93 3khk h GLN 214 Ca 0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3khk h GLN 214 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3khk h GLN 214 CO -0.02 0.24 -0.16 0.74 -0.95 0.00 0.00 178.83 178.69 3khk h PHE 215 N 0.00 0.00 0.35 2.96 0.04 0.33 -2.79 116.94 117.82 3khk h PHE 215 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3khk h PHE 215 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 3khk h PHE 215 CO 0.00 0.16 -0.17 0.00 -0.60 0.00 0.00 178.31 177.70 3khk h ALA 216 N 1.84 -0.47 -0.08 2.45 0.00 -0.44 -2.67 119.26 119.89 3khk h ALA 216 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3khk h ALA 216 Cb 1.11 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3khk h ALA 216 CO 0.02 -0.63 -0.32 -0.07 0.00 0.00 0.00 179.25 178.25 3khk h LEU 217 N -0.74 -0.97 0.00 0.00 3.38 -1.38 -2.74 115.31 112.86 3khk h LEU 217 Ca -0.05 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3khk h LEU 217 Cb 0.50 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3khk h LEU 217 CO 0.08 -0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.24 3khk n ALA 218 N -2.80 2.38 1.01 1.53 0.00 -1.05 -2.05 120.51 119.51 3khk n ALA 218 Ca -0.04 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.36 3khk n ALA 218 Cb 0.32 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 3khk n ALA 218 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3khk n GLU 219 N -1.04 0.10 -2.81 0.00 0.00 -1.01 -4.74 120.64 111.14 3khk n GLU 219 Ca 0.17 -0.08 -0.18 0.00 0.00 0.00 0.00 57.16 57.07 3khk n GLU 219 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.04 3khk n GLU 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3khk n GLY 220 N 1.49 -0.50 3.30 -1.84 0.00 -0.87 -4.96 105.19 101.81 3khk n GLY 220 Ca 0.05 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3khk n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khk s LYS 221 N -5.43 2.83 0.17 1.61 -2.85 -1.25 -5.10 119.74 109.72 3khk s LYS 221 Ca 0.17 -1.03 0.05 0.00 -1.00 0.00 0.00 55.97 54.16 3khk s LYS 221 Cb -0.08 -3.40 -0.04 0.00 -2.06 0.00 0.00 37.83 32.25 3khk s LYS 221 CO 0.21 -0.56 0.13 -0.65 0.10 0.00 0.00 175.35 174.58 3khk s GLN 222 N 1.44 2.86 0.00 1.78 -0.21 -1.26 -4.78 119.66 119.49 3khk s GLN 222 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3khk s GLN 222 Cb -0.18 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.22 3khk s GLN 222 CO 0.02 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 3khk n GLY 223 N -0.41 3.24 0.21 3.09 0.00 -1.09 -4.72 105.19 105.51 3khk n GLY 223 Ca -0.08 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.39 3khk n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3khk h GLY 224 N 0.00 0.00 2.00 -0.02 0.00 -1.74 1.50 103.07 104.81 3khk h GLY 224 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3khk h GLY 224 CO 0.00 0.00 -0.34 0.06 0.00 0.00 0.00 176.54 176.26 3khk h GLN 225 N 0.00 0.00 0.03 4.80 3.07 -1.86 -3.34 115.11 117.80 3khk h GLN 225 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 58.35 3khk h GLN 225 Cb 0.67 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.17 3khk h GLN 225 CO 0.00 0.34 -2.32 0.66 0.09 0.00 0.00 178.83 177.60 3khk n TYR 226 N -3.46 0.34 -3.65 0.06 4.01 0.51 -4.14 117.16 110.84 3khk n TYR 226 Ca 0.00 0.08 0.01 0.00 -0.16 0.00 0.00 57.90 57.84 3khk n TYR 226 Cb 0.51 -1.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.43 3khk n TYR 226 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3khk s TYR 227 N -2.52 -0.11 -0.17 -0.72 5.04 -0.87 -4.72 117.35 113.28 3khk s TYR 227 Ca -0.32 0.22 -0.02 0.00 -2.44 0.00 0.00 57.07 54.51 3khk s TYR 227 Cb 0.09 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.51 3khk s TYR 227 CO 0.62 -0.05 -0.08 0.99 -1.34 0.00 0.00 175.55 175.69 3khk s THR 228 N 0.93 3.30 0.80 4.34 2.01 -1.26 -4.34 115.64 121.42 3khk s THR 228 Ca -0.06 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3khk s THR 228 Cb -0.03 -2.44 0.08 0.00 0.01 0.00 0.00 72.50 70.12 3khk s THR 228 CO -0.11 0.48 1.15 -2.84 -0.69 0.00 0.00 174.62 172.61 3khk s PRO 229 N 0.85 1.80 0.30 4.92 0.02 -1.26 -4.79 135.00 136.84 3khk s PRO 229 Ca -0.02 1.54 0.05 0.00 0.02 0.00 0.00 61.00 62.59 3khk s PRO 229 Cb -0.15 -1.82 0.75 0.00 0.02 0.00 0.00 34.50 33.31 3khk s PRO 229 CO 0.01 -2.05 1.74 -0.22 -0.33 0.00 0.00 177.00 176.15 3khk h LYS 230 N -1.01 0.58 0.07 5.54 3.64 -1.98 -2.98 116.57 120.43 3khk h LYS 230 Ca -0.45 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3khk h LYS 230 Cb 1.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3khk h LYS 230 CO 0.47 0.38 -0.13 0.66 -2.27 0.00 0.00 179.45 178.57 3khk h SER 231 N 0.60 -0.36 -0.49 4.20 4.64 -1.90 0.70 113.55 120.94 3khk h SER 231 Ca 0.58 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.99 3khk h SER 231 Cb 1.00 0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 3khk h SER 231 CO -0.44 -0.15 0.19 0.40 -0.87 0.00 0.00 176.83 175.96 3khk h ILE 232 N -0.21 0.86 0.00 0.95 5.03 -1.85 0.93 117.51 123.22 3khk h ILE 232 Ca -0.01 -0.13 -0.02 0.00 -0.12 0.00 0.00 64.86 64.58 3khk h ILE 232 Cb 0.20 0.45 -0.00 0.00 -3.03 0.00 0.00 36.82 34.43 3khk h ILE 232 CO -0.04 0.07 -0.09 0.58 -0.68 0.00 0.00 178.15 177.98 3khk h VAL 233 N 0.38 0.61 0.08 1.67 2.07 -1.44 -0.14 116.25 119.48 3khk h VAL 233 Ca 0.23 -0.38 -0.30 0.00 0.82 0.00 0.00 66.70 67.06 3khk h VAL 233 Cb 0.22 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3khk h VAL 233 CO -0.22 0.09 -1.61 0.74 0.02 0.00 0.00 177.57 176.59 3khk h THR 234 N 0.00 1.04 0.78 2.57 2.02 0.57 -3.13 112.91 116.76 3khk h THR 234 Ca -0.00 -2.75 -0.04 0.00 0.77 0.00 0.00 66.41 64.39 3khk h THR 234 Cb 0.23 2.65 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3khk h THR 234 CO 0.01 0.76 -0.37 0.25 0.37 0.00 0.00 175.52 176.54 3khk h LEU 235 N 0.05 -0.88 -0.48 2.58 5.85 -0.19 0.68 115.31 122.92 3khk h LEU 235 Ca -0.26 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.56 3khk h LEU 235 Cb 2.00 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 43.16 3khk h LEU 235 CO 0.13 -0.61 -0.46 0.40 -0.34 0.00 0.00 178.44 177.56 3khk h ILE 236 N -1.09 0.08 -0.45 4.05 2.04 -1.22 0.13 117.51 121.06 3khk h ILE 236 Ca -0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3khk h ILE 236 Cb 0.80 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3khk h ILE 236 CO 0.17 0.00 0.15 0.58 0.00 0.00 0.00 178.15 179.06 3khk h VAL 237 N -0.30 0.85 -0.57 1.67 2.07 -1.56 0.14 116.25 118.54 3khk h VAL 237 Ca 0.14 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3khk h VAL 237 Cb 0.58 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3khk h VAL 237 CO -0.63 0.06 0.38 -0.33 0.02 0.00 0.00 177.57 177.07 3khk h GLU 238 N 0.32 0.75 0.00 1.57 4.39 0.03 -0.63 114.58 121.01 3khk h GLU 238 Ca 0.21 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 3khk h GLU 238 Cb 0.21 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3khk h GLU 238 CO -0.22 0.50 -0.76 0.52 -1.16 0.00 0.00 179.01 177.89 3khk h MET 239 N 0.77 0.00 -0.01 2.33 2.86 0.37 -3.33 114.93 117.93 3khk h MET 239 Ca 0.21 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.68 3khk h MET 239 Cb -0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.59 3khk h MET 239 CO -0.05 0.76 -0.65 -0.07 1.06 0.00 0.00 176.91 177.96 3khk h LEU 240 N 0.00 0.59 -2.39 1.22 3.38 -0.07 -3.49 115.31 114.54 3khk h LEU 240 Ca -0.01 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3khk h LEU 240 Cb 1.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3khk h LEU 240 CO 0.10 1.26 -0.24 1.21 0.09 0.00 0.00 178.44 180.86 3khk n GLU 241 N -4.17 -1.69 -2.29 1.13 2.13 -0.31 -4.91 120.64 110.52 3khk n GLU 241 Ca -0.10 1.69 -0.43 0.00 0.66 0.00 0.00 57.16 58.98 3khk n GLU 241 Cb 0.69 -5.29 0.00 0.00 0.27 0.00 0.00 31.44 27.12 3khk n GLU 241 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3khk n PRO 242 N -0.97 3.33 -0.01 5.31 -0.04 -1.26 -4.80 135.00 136.57 3khk n PRO 242 Ca 0.06 -3.31 -0.17 0.00 -0.04 0.00 0.00 63.50 60.04 3khk n PRO 242 Cb 0.45 -3.10 -0.11 0.00 -0.04 0.00 0.00 33.50 30.70 3khk n PRO 242 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3khk h TYR 243 N 6.21 0.49 -3.54 0.54 0.05 -1.96 -3.47 116.97 115.29 3khk h TYR 243 Ca 0.44 -0.27 -0.18 0.00 0.05 0.00 0.00 58.73 58.77 3khk h TYR 243 Cb 0.69 -0.06 -0.24 0.00 1.01 0.00 0.00 36.73 38.14 3khk h TYR 243 CO 1.30 1.08 -0.57 -1.59 -1.05 0.00 0.00 178.16 177.33 3khk s LYS 244 N -3.17 0.28 0.00 4.88 -2.85 -1.26 -4.65 119.74 112.96 3khk s LYS 244 Ca -0.14 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 3khk s LYS 244 Cb 0.03 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 3khk s LYS 244 CO 0.79 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.60 3khk n GLY 245 N 2.30 0.12 3.69 0.59 0.00 0.22 -4.91 105.19 107.21 3khk n GLY 245 Ca -0.17 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.13 3khk n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khk s ARG 246 N -0.86 4.46 -0.13 1.61 0.52 -1.26 -2.33 118.95 120.95 3khk s ARG 246 Ca 0.00 1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 56.63 3khk s ARG 246 Cb 0.00 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 3khk s ARG 246 CO 0.00 -0.25 -0.05 0.08 0.02 0.00 0.00 175.30 175.10 3khk s VAL 247 N 1.70 3.78 -0.03 3.52 1.01 0.88 -1.35 120.40 129.91 3khk s VAL 247 Ca 0.51 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3khk s VAL 247 Cb -0.20 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3khk s VAL 247 CO 0.22 0.52 -0.04 -0.47 0.00 0.00 0.00 175.10 175.33 3khk s TYR 248 N 0.06 0.60 -0.15 5.22 5.04 -0.45 0.17 117.35 127.84 3khk s TYR 248 Ca -0.01 -0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3khk s TYR 248 Cb -0.14 -0.51 0.04 0.00 0.35 0.00 0.00 41.96 41.70 3khk s TYR 248 CO 0.03 -0.11 -0.06 0.34 -1.34 0.00 0.00 175.55 174.41 3khk s ASP 249 N 0.54 2.64 0.00 4.32 -1.08 -0.98 -1.61 116.67 120.50 3khk s ASP 249 Ca -0.07 -0.56 0.14 0.00 -0.52 0.00 0.00 52.55 51.55 3khk s ASP 249 Cb -0.10 -0.89 0.66 0.00 -1.46 0.00 0.00 42.92 41.12 3khk s ASP 249 CO -0.00 -0.16 1.45 -0.81 0.52 0.00 0.00 175.17 176.16 3khk n PRO 250 N 4.89 1.33 -2.73 4.34 -0.04 -1.26 -1.39 135.00 140.14 3khk n PRO 250 Ca -0.12 -0.50 -0.05 0.00 -0.04 0.00 0.00 63.50 62.78 3khk n PRO 250 Cb 0.48 -1.26 0.03 0.00 -0.04 0.00 0.00 33.50 32.72 3khk n PRO 250 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3khk n ALA 251 N -0.21 -2.23 0.02 0.55 0.00 -1.01 -4.56 120.51 113.07 3khk n ALA 251 Ca 0.11 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 3khk n ALA 251 Cb 0.16 -1.93 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 3khk n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khk h MET 252 N 4.33 0.01 0.00 0.00 -0.00 -1.17 -3.40 114.93 114.69 3khk h MET 252 Ca -0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3khk h MET 252 Cb 1.10 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 3khk h MET 252 CO 0.07 0.77 0.00 0.41 -0.00 0.00 0.00 176.91 178.16 3khk n GLY 253 N 1.46 1.79 0.00 -3.00 0.00 -1.26 -2.34 105.19 101.84 3khk n GLY 253 Ca -0.09 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.60 3khk n GLY 253 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3khk n SER 254 N 5.37 0.00 0.00 1.61 3.41 -1.26 -4.43 113.62 118.32 3khk n SER 254 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3khk n SER 254 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3khk n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khk n GLY 255 N 0.86 0.51 0.33 5.00 0.00 -0.99 -4.13 105.19 106.78 3khk n GLY 255 Ca 0.20 -0.88 0.25 0.00 0.00 0.00 0.00 46.02 45.58 3khk n GLY 255 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3khk h GLY 256 N 0.00 2.10 1.51 -0.02 0.00 -1.91 0.22 103.07 104.97 3khk h GLY 256 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3khk h GLY 256 CO 0.00 -0.54 0.24 0.74 0.00 0.00 0.00 176.54 176.99 3khk h PHE 257 N 0.28 0.63 -0.07 5.60 0.04 -1.92 -0.63 116.94 120.87 3khk h PHE 257 Ca 0.75 -0.01 -0.17 0.00 2.80 0.00 0.00 57.97 61.34 3khk h PHE 257 Cb 1.75 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.69 3khk h PHE 257 CO -0.01 0.45 -0.70 0.74 -0.60 0.00 0.00 178.31 178.19 3khk h PHE 258 N 0.65 0.42 0.80 -0.55 0.04 -0.97 0.40 116.94 117.72 3khk h PHE 258 Ca 0.17 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 3khk h PHE 258 Cb 0.04 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.13 3khk h PHE 258 CO 0.00 0.91 -0.38 0.28 -0.60 0.00 0.00 178.31 178.52 3khk h VAL 259 N 0.22 0.02 -0.90 -0.55 2.07 -1.19 -1.67 116.25 114.25 3khk h VAL 259 Ca -0.02 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.49 3khk h VAL 259 Cb 1.25 0.03 -0.17 0.00 -1.52 0.00 0.00 31.29 30.89 3khk h VAL 259 CO 0.11 0.00 -0.11 -1.28 0.02 0.00 0.00 177.57 176.32 3khk h SER 260 N -1.27 -0.64 -0.22 0.57 0.87 -1.11 0.80 113.55 112.55 3khk h SER 260 Ca -0.11 0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3khk h SER 260 Cb 0.82 0.50 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 3khk h SER 260 CO 0.18 -0.29 0.11 0.28 -0.53 0.00 0.00 176.83 176.58 3khk h SER 261 N 0.02 0.17 -0.67 6.23 0.02 -0.08 0.17 113.55 119.42 3khk h SER 261 Ca 0.48 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.41 3khk h SER 261 Cb 0.83 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3khk h SER 261 CO -0.87 0.13 0.32 -0.78 -1.14 0.00 0.00 176.83 174.48 3khk h ASP 262 N 0.24 0.88 -0.55 3.07 3.58 -0.28 -2.68 116.42 120.68 3khk h ASP 262 Ca 0.09 -0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 3khk h ASP 262 Cb 0.02 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 3khk h ASP 262 CO -0.06 0.77 -0.09 0.11 -2.88 0.00 0.00 179.24 177.09 3khk h LYS 263 N 0.93 1.03 -0.46 0.28 1.57 -0.51 -2.95 116.57 116.45 3khk h LYS 263 Ca 0.23 -0.37 0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3khk h LYS 263 Cb 0.13 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 3khk h LYS 263 CO -0.03 1.06 -0.05 0.35 -0.57 0.00 0.00 179.45 180.21 3khk h PHE 264 N 0.91 -0.13 -0.34 -1.35 3.57 -0.64 0.58 116.94 119.54 3khk h PHE 264 Ca 0.14 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3khk h PHE 264 Cb 0.66 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 3khk h PHE 264 CO 0.05 -0.15 -0.14 0.82 -2.23 0.00 0.00 178.31 176.66 3khk h ILE 265 N 0.06 0.55 -0.37 1.41 1.08 -1.46 -2.90 117.51 115.86 3khk h ILE 265 Ca 0.23 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.77 3khk h ILE 265 Cb 0.35 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 3khk h ILE 265 CO -0.43 0.00 -0.03 -0.33 -0.69 0.00 0.00 178.15 176.67 3khk h GLU 266 N -0.08 0.07 0.00 2.37 5.08 -0.75 -2.76 114.58 118.51 3khk h GLU 266 Ca 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3khk h GLU 266 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3khk h GLU 266 CO -0.39 0.04 -0.18 1.63 -1.00 0.00 0.00 179.01 179.11 3khk n LYS 267 N -5.22 0.26 0.00 2.33 5.02 -0.67 -2.85 118.16 117.03 3khk n LYS 267 Ca 0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 3khk n LYS 267 Cb 0.20 -1.76 0.12 0.00 -0.02 0.00 0.00 35.03 33.57 3khk n LYS 267 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3khk n HIS 268 N -2.18 0.00 0.14 2.13 8.25 -1.10 -4.58 115.22 117.88 3khk n HIS 268 Ca 0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 3khk n HIS 268 Cb 0.43 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 3khk n HIS 268 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3khk h ALA 269 N 3.86 -0.96 -1.28 -1.41 0.00 -1.34 -1.68 119.26 116.45 3khk h ALA 269 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3khk h ALA 269 Cb 0.68 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3khk h ALA 269 CO 0.00 -1.11 0.00 0.09 0.00 0.00 0.00 179.25 178.23 3khk n ASN 270 N -5.50 0.00 -0.34 0.00 3.02 -1.26 0.19 115.26 111.37 3khk n ASN 270 Ca -0.09 0.79 0.18 0.00 -0.03 0.00 0.00 54.58 55.43 3khk n ASN 270 Cb 0.41 -0.29 0.40 0.00 -0.61 0.00 0.00 39.78 39.70 3khk n ASN 270 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3khk h VAL 271 N 0.00 0.51 0.00 2.41 2.07 -1.87 0.69 116.25 120.06 3khk h VAL 271 Ca 0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3khk h VAL 271 Cb 0.00 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 3khk h VAL 271 CO 0.00 0.10 -0.18 0.11 0.02 0.00 0.00 177.57 177.62 3khk h LYS 272 N 0.55 0.00 -5.94 1.57 1.79 -0.67 -3.48 116.57 110.39 3khk h LYS 272 Ca 0.65 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.72 3khk h LYS 272 Cb 1.29 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 32.04 3khk h LYS 272 CO -0.48 0.18 -0.72 0.72 -1.08 0.00 0.00 179.45 178.06 3khk n HIS 273 N -3.21 -2.57 -3.62 -1.35 8.25 0.50 -5.04 115.22 108.17 3khk n HIS 273 Ca 0.02 0.97 -0.22 0.00 -0.26 0.00 0.00 57.72 58.22 3khk n HIS 273 Cb 0.51 -4.76 -0.02 0.00 1.12 0.00 0.00 29.99 26.84 3khk n HIS 273 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3khk s TYR 274 N -3.35 2.31 -0.37 4.41 -0.85 -1.08 -5.04 117.35 113.38 3khk s TYR 274 Ca 0.47 -0.61 -0.16 0.00 -0.52 0.00 0.00 57.07 56.25 3khk s TYR 274 Cb -0.21 -2.10 0.00 0.00 0.38 0.00 0.00 41.96 40.03 3khk s TYR 274 CO 0.76 -0.29 0.41 1.21 -1.52 0.00 0.00 175.55 176.11 3khk s ASN 275 N -4.21 6.20 0.27 -0.18 3.84 -1.26 -4.61 114.94 114.99 3khk s ASN 275 Ca 0.45 -0.35 -0.01 0.00 0.21 0.00 0.00 52.86 53.16 3khk s ASN 275 Cb -0.03 -2.21 0.50 0.00 -0.55 0.00 0.00 41.25 38.95 3khk s ASN 275 CO 0.27 -0.44 1.82 0.00 -2.79 0.00 0.00 177.10 175.96 3khk h ALA 276 N 8.55 1.38 -0.96 1.71 0.00 -1.92 -0.28 119.26 127.74 3khk h ALA 276 Ca -0.28 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3khk h ALA 276 Cb 1.13 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3khk h ALA 276 CO 0.74 0.16 0.62 1.03 0.00 0.00 0.00 179.25 181.80 3khk h SER 277 N 0.90 0.95 1.04 0.00 0.87 -1.97 -2.45 113.55 112.89 3khk h SER 277 Ca 0.46 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.90 3khk h SER 277 Cb 0.46 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3khk h SER 277 CO -0.27 0.58 -1.02 -0.33 -0.53 0.00 0.00 176.83 175.26 3khk h GLU 278 N 1.06 0.00 -0.31 2.24 4.39 -1.55 -3.35 114.58 117.06 3khk h GLU 278 Ca 0.43 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.01 3khk h GLU 278 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3khk h GLU 278 CO -0.19 0.41 -0.31 0.37 -1.16 0.00 0.00 179.01 178.13 3khk h GLN 279 N 0.00 0.66 0.00 2.33 5.75 -0.67 -2.71 115.11 120.47 3khk h GLN 279 Ca -0.09 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 3khk h GLN 279 Cb 1.51 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.04 3khk h GLN 279 CO 0.06 0.89 0.00 0.87 -2.65 0.00 0.00 178.83 177.99 3khk h LYS 280 N 0.56 0.00 0.00 1.69 1.57 -1.60 -0.45 116.57 118.34 3khk h LYS 280 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3khk h LYS 280 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3khk h LYS 280 CO 0.07 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.82 3khk h LYS 281 N 0.00 0.00 -0.03 3.15 1.57 -1.66 -3.01 116.57 116.59 3khk h LYS 281 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3khk h LYS 281 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3khk h LYS 281 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3khk n GLN 282 N -2.45 1.44 -5.08 3.15 1.13 -0.18 -4.76 117.38 110.63 3khk n GLN 282 Ca 0.03 -0.64 -0.29 0.00 -1.94 0.00 0.00 57.00 54.16 3khk n GLN 282 Cb 0.35 -1.46 -0.16 0.00 0.11 0.00 0.00 30.24 29.08 3khk n GLN 282 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3khk s ILE 283 N -1.97 1.80 -0.04 5.09 -4.36 -1.14 0.71 121.20 121.29 3khk s ILE 283 Ca 0.39 -0.91 0.05 0.00 -0.26 0.00 0.00 60.65 59.93 3khk s ILE 283 Cb 0.20 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 3khk s ILE 283 CO 0.33 0.51 -0.20 -0.94 0.24 0.00 0.00 174.94 174.87 3khk s SER 284 N 0.02 3.57 -0.28 4.36 1.04 -0.98 -4.97 113.70 116.46 3khk s SER 284 Ca -0.07 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 3khk s SER 284 Cb -0.14 -0.65 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 3khk s SER 284 CO 0.04 0.33 0.13 -0.69 0.98 0.00 0.00 173.24 174.03 3khk s VAL 285 N -0.63 4.64 0.03 5.02 1.01 -1.26 -0.08 120.40 129.13 3khk s VAL 285 Ca 0.10 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.92 3khk s VAL 285 Cb -0.11 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3khk s VAL 285 CO 0.00 0.19 -0.18 -0.31 0.00 0.00 0.00 175.10 174.81 3khk s TYR 286 N 1.64 2.56 0.25 5.22 2.02 0.12 0.03 117.35 129.20 3khk s TYR 286 Ca 0.06 -0.25 -0.21 0.00 -0.37 0.00 0.00 57.07 56.29 3khk s TYR 286 Cb -0.16 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 3khk s TYR 286 CO 0.06 0.24 0.68 0.20 -1.57 0.00 0.00 175.55 175.17 3khk s GLY 287 N -1.38 -0.18 -0.05 0.71 0.00 0.26 -2.31 107.32 104.37 3khk s GLY 287 Ca 0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.60 3khk s GLY 287 CO 0.05 -0.06 0.25 1.62 0.00 0.00 0.00 173.10 174.96 3khk s GLN 288 N -3.89 0.46 -0.23 2.90 0.74 -0.48 -4.15 119.66 115.01 3khk s GLN 288 Ca 0.09 0.00 -0.11 0.00 0.05 0.00 0.00 55.36 55.40 3khk s GLN 288 Cb -0.05 0.21 0.08 0.00 1.10 0.00 0.00 33.01 34.35 3khk s GLN 288 CO 0.03 -0.10 0.52 -2.00 -0.55 0.00 0.00 175.29 173.19 3khk s GLU 289 N -0.70 0.49 0.41 1.67 2.56 -1.26 -0.90 118.70 120.97 3khk s GLU 289 Ca -0.08 1.07 0.22 0.00 0.00 0.00 0.00 54.97 56.18 3khk s GLU 289 Cb -0.04 0.24 0.40 0.00 2.00 0.00 0.00 34.13 36.73 3khk s GLU 289 CO 0.02 -0.18 1.62 0.66 -0.56 0.00 0.00 175.26 176.81 3khk h SER 290 N 7.47 0.00 -3.23 -1.70 4.64 -1.91 -3.02 113.55 115.80 3khk h SER 290 Ca -0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.48 3khk h SER 290 Cb 1.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 3khk h SER 290 CO 0.19 0.14 0.89 0.21 -0.87 0.00 0.00 176.83 177.39 3khk s ASN 291 N -6.22 6.86 0.22 4.97 3.84 -1.26 -4.33 114.94 119.02 3khk s ASN 291 Ca 0.05 1.15 -0.08 0.00 0.21 0.00 0.00 52.86 54.19 3khk s ASN 291 Cb 0.06 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.55 3khk s ASN 291 CO 0.68 -0.93 1.71 1.55 -2.79 0.00 0.00 177.10 177.32 3khk h PRO 292 N 8.44 0.30 0.04 0.43 0.13 -1.94 -0.35 132.00 139.04 3khk h PRO 292 Ca -0.23 -0.02 -0.22 0.00 -0.87 0.00 0.00 66.00 64.66 3khk h PRO 292 Cb 1.07 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3khk h PRO 292 CO 1.03 0.20 -1.01 1.15 -0.23 0.00 0.00 178.00 179.14 3khk h THR 293 N 0.31 1.55 -0.73 1.56 2.02 -1.98 -3.06 112.91 112.58 3khk h THR 293 Ca 0.34 -2.93 -0.05 0.00 0.77 0.00 0.00 66.41 64.54 3khk h THR 293 Cb 0.50 2.69 -0.03 0.00 -1.74 0.00 0.00 68.15 69.57 3khk h THR 293 CO -0.40 0.85 0.25 0.74 0.37 0.00 0.00 175.52 177.33 3khk h THR 294 N 0.07 1.26 -0.41 3.16 2.02 -1.81 0.16 112.91 117.36 3khk h THR 294 Ca -0.06 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.32 3khk h THR 294 Cb 1.70 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 3khk h THR 294 CO 0.15 0.34 0.10 -0.25 0.37 0.00 0.00 175.52 176.24 3khk h TRP 295 N 1.06 0.18 -0.45 3.16 7.01 -1.12 0.20 115.95 126.00 3khk h TRP 295 Ca 0.24 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.15 3khk h TRP 295 Cb 0.27 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 3khk h TRP 295 CO 0.02 0.04 -0.16 0.87 -2.79 0.00 0.00 178.44 176.43 3khk h LYS 296 N 0.25 0.86 -0.78 2.65 1.57 -1.37 -0.52 116.57 119.23 3khk h LYS 296 Ca 0.20 -0.32 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3khk h LYS 296 Cb 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3khk h LYS 296 CO -0.24 0.95 0.46 -0.07 -0.57 0.00 0.00 179.45 179.99 3khk h LEU 297 N 0.76 0.70 0.04 2.94 3.38 -0.14 0.57 115.31 123.57 3khk h LEU 297 Ca 0.12 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3khk h LEU 297 Cb 0.68 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3khk h LEU 297 CO 0.05 0.44 -0.02 0.00 0.09 0.00 0.00 178.44 179.00 3khk h ALA 298 N 1.39 -0.06 -0.67 1.53 0.00 -0.30 -1.88 119.26 119.28 3khk h ALA 298 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3khk h ALA 298 Cb 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3khk h ALA 298 CO -0.19 -0.44 0.38 0.00 0.00 0.00 0.00 179.25 179.00 3khk h ALA 299 N 0.71 0.86 -0.74 0.00 0.00 -0.88 -1.08 119.26 118.14 3khk h ALA 299 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3khk h ALA 299 Cb 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3khk h ALA 299 CO 0.01 0.36 0.39 0.52 0.00 0.00 0.00 179.25 180.53 3khk h MET 300 N 0.92 0.65 -0.44 0.00 2.07 -0.85 -2.45 114.93 114.83 3khk h MET 300 Ca 0.24 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.82 3khk h MET 300 Cb 0.02 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.58 3khk h MET 300 CO -0.04 0.43 0.25 -0.97 1.07 0.00 0.00 176.91 177.65 3khk h ASN 301 N 0.67 0.54 -0.41 1.22 -0.00 -0.42 -2.73 115.58 114.44 3khk h ASN 301 Ca 0.36 -0.08 -0.03 0.00 -0.00 0.00 0.00 56.30 56.55 3khk h ASN 301 Cb 0.34 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.50 3khk h ASN 301 CO -0.25 0.46 0.18 0.24 -0.00 0.00 0.00 177.43 178.05 3khk h MET 302 N 0.57 0.67 0.82 6.67 2.86 -0.78 -1.29 114.93 124.44 3khk h MET 302 Ca 0.15 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3khk h MET 302 Cb 0.03 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.58 3khk h MET 302 CO -0.03 0.56 -0.39 0.28 1.06 0.00 0.00 176.91 178.39 3khk h VAL 303 N 0.66 0.09 -0.99 -2.22 2.07 -1.36 0.19 116.25 114.69 3khk h VAL 303 Ca 0.16 -0.14 0.27 0.00 0.82 0.00 0.00 66.70 67.81 3khk h VAL 303 Cb 0.15 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 29.90 3khk h VAL 303 CO -0.01 0.01 0.56 0.40 0.02 0.00 0.00 177.57 178.55 3khk h ILE 304 N -1.22 0.46 -0.00 4.57 2.04 -1.25 0.56 117.51 122.67 3khk h ILE 304 Ca -0.11 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3khk h ILE 304 Cb 0.85 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3khk h ILE 304 CO 0.18 0.09 -0.01 0.54 0.00 0.00 0.00 178.15 178.95 3khk n ARG 305 N -4.95 0.63 -3.08 2.37 5.12 -0.51 -4.79 116.66 111.44 3khk n ARG 305 Ca 0.28 -0.03 -0.23 0.00 -1.93 0.00 0.00 57.85 55.94 3khk n ARG 305 Cb 0.81 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.65 3khk n ARG 305 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3khk n GLY 306 N 1.20 -0.52 3.64 -0.13 0.00 0.20 -4.99 105.19 104.58 3khk n GLY 306 Ca 0.17 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3khk n GLY 306 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khk s ILE 307 N -3.18 4.60 0.29 -0.61 1.01 0.49 -5.01 121.20 118.79 3khk s ILE 307 Ca 0.33 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 3khk s ILE 307 Cb -0.15 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.19 3khk s ILE 307 CO 0.41 0.51 1.12 -1.81 0.00 0.00 0.00 174.94 175.17 3khk s ASP 308 N 0.03 7.17 -0.04 3.58 1.01 -1.26 -4.46 116.67 122.69 3khk s ASP 308 Ca 0.05 2.31 -0.05 0.00 0.71 0.00 0.00 52.55 55.57 3khk s ASP 308 Cb -0.12 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.19 3khk s ASP 308 CO 0.01 -0.22 0.12 0.72 0.21 0.00 0.00 175.17 176.02 3khk s PHE 309 N -1.19 -0.11 -0.21 4.23 -0.12 -1.26 -4.20 117.98 115.11 3khk s PHE 309 Ca 0.46 0.27 0.01 0.00 -0.05 0.00 0.00 56.93 57.62 3khk s PHE 309 Cb -0.32 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.13 3khk s PHE 309 CO 0.42 -0.09 -0.15 1.21 -0.05 0.00 0.00 175.22 176.55 3khk s ASN 310 N -0.11 3.71 -0.16 1.98 3.84 0.10 -4.96 114.94 119.34 3khk s ASN 310 Ca -0.02 -0.89 0.16 0.00 0.21 0.00 0.00 52.86 52.32 3khk s ASN 310 Cb -0.02 -1.53 0.35 0.00 -0.55 0.00 0.00 41.25 39.50 3khk s ASN 310 CO 0.00 -0.07 1.19 0.49 -2.79 0.00 0.00 177.10 175.92 3khk n PHE 311 N 4.58 0.05 -0.45 0.43 3.72 -1.26 -0.57 117.46 123.96 3khk n PHE 311 Ca -0.18 -1.18 0.06 0.00 -0.05 0.00 0.00 57.45 56.10 3khk n PHE 311 Cb 0.47 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 3khk n PHE 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khk n GLY 312 N -1.30 -1.53 0.32 1.37 0.00 -1.26 -4.25 105.19 98.55 3khk n GLY 312 Ca 0.18 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.93 3khk n GLY 312 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3khk h LYS 313 N -0.42 0.00 0.00 1.61 3.64 -1.97 -3.46 116.57 115.98 3khk h LYS 313 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3khk h LYS 313 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3khk h LYS 313 CO 0.00 0.00 0.00 0.36 -2.27 0.00 0.00 179.45 177.54 3khk n LYS 314 N -4.27 0.00 -1.73 1.90 2.85 -1.26 -5.14 118.16 110.51 3khk n LYS 314 Ca 0.03 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 3khk n LYS 314 Cb 0.33 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.70 3khk n LYS 314 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3khk n ASN 315 N 0.00 3.38 -3.62 -5.58 6.94 -1.26 -4.90 115.26 110.22 3khk n ASN 315 Ca 0.00 1.19 -0.06 0.00 -0.02 0.00 0.00 54.58 55.69 3khk n ASN 315 Cb 0.00 -1.55 -0.05 0.00 -2.36 0.00 0.00 39.78 35.82 3khk n ASN 315 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3khk s ALA 316 N -0.69 -2.04 0.30 -2.53 0.00 -1.14 -4.90 121.76 110.75 3khk s ALA 316 Ca 0.58 1.76 -0.30 0.00 0.00 0.00 0.00 51.96 54.00 3khk s ALA 316 Cb -0.53 -1.19 -0.11 0.00 0.00 0.00 0.00 23.12 21.28 3khk s ALA 316 CO 0.58 -0.26 1.61 0.34 0.00 0.00 0.00 175.76 178.02 3khk s ASP 317 N -0.99 6.34 0.11 0.00 2.15 -1.26 -3.60 116.67 119.42 3khk s ASP 317 Ca 0.04 2.98 -0.13 0.00 0.43 0.00 0.00 52.55 55.87 3khk s ASP 317 Cb -0.01 -2.64 -0.11 0.00 -0.30 0.00 0.00 42.92 39.87 3khk s ASP 317 CO -0.04 -0.94 1.38 0.28 -0.17 0.00 0.00 175.17 175.68 3khk h SER 318 N 4.82 0.88 -0.63 -0.34 0.02 -1.87 -0.54 113.55 115.89 3khk h SER 318 Ca -0.47 -0.54 -0.06 0.00 -0.84 0.00 0.00 61.79 59.88 3khk h SER 318 Cb 1.22 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3khk h SER 318 CO 0.79 1.26 0.15 -0.26 -1.14 0.00 0.00 176.83 177.63 3khk h PHE 319 N 0.54 1.06 0.00 3.45 0.04 -1.95 -2.71 116.94 117.37 3khk h PHE 319 Ca 0.01 -0.13 -0.24 0.00 2.80 0.00 0.00 57.97 60.41 3khk h PHE 319 Cb 1.10 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 3khk h PHE 319 CO 0.08 0.89 -1.68 1.28 -0.60 0.00 0.00 178.31 178.28 3khk n LEU 320 N -4.32 0.75 -3.11 1.54 4.77 -1.23 -4.62 117.00 110.77 3khk n LEU 320 Ca 0.04 0.35 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 3khk n LEU 320 Cb 0.25 0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3khk n LEU 320 CO 0.41 0.30 -0.17 0.47 -1.33 0.00 0.00 177.39 177.07 3khk n ASP 321 N -2.93 -0.92 -4.63 -1.43 8.00 -0.21 -5.04 116.55 109.39 3khk n ASP 321 Ca -0.16 -2.75 -0.43 0.00 0.71 0.00 0.00 54.79 52.16 3khk n ASP 321 Cb 0.97 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 3khk n ASP 321 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3khk s ASP 322 N -0.79 6.15 0.29 -2.24 -1.08 -1.02 -4.45 116.67 113.53 3khk s ASP 322 Ca 0.33 1.87 0.26 0.00 -0.52 0.00 0.00 52.55 54.50 3khk s ASP 322 Cb 0.13 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.98 3khk s ASP 322 CO -0.15 -1.41 1.76 1.56 0.52 0.00 0.00 175.17 177.45 3khk h GLN 323 N 11.83 0.00 -2.17 4.34 1.08 -1.87 -3.30 115.11 125.03 3khk h GLN 323 Ca -0.39 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.27 3khk h GLN 323 Cb 1.19 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.21 3khk h GLN 323 CO 0.98 0.00 -0.88 0.72 -0.95 0.00 0.00 178.83 178.71 3khk n HIS 324 N -2.43 2.42 0.32 2.96 8.25 -1.26 -4.82 115.22 120.65 3khk n HIS 324 Ca 0.03 -3.92 0.21 0.00 -0.26 0.00 0.00 57.72 53.77 3khk n HIS 324 Cb 0.34 -0.46 1.03 0.00 1.12 0.00 0.00 29.99 32.01 3khk n HIS 324 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3khk h PRO 325 N 3.00 0.00 -0.14 -0.41 0.13 -1.98 -1.65 132.00 130.95 3khk h PRO 325 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3khk h PRO 325 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3khk h PRO 325 CO 0.68 0.01 0.00 -3.47 -0.23 0.00 0.00 178.00 174.99 3khk n ASP 326 N -3.13 2.43 -4.71 1.44 4.64 -1.26 -5.02 116.55 110.94 3khk n ASP 326 Ca -0.02 -2.08 -0.42 0.00 -1.38 0.00 0.00 54.79 50.89 3khk n ASP 326 Cb 0.15 -0.13 -0.03 0.00 -1.04 0.00 0.00 41.12 40.08 3khk n ASP 326 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3khk s LEU 327 N -1.15 4.36 -0.46 -2.67 2.96 -0.62 -4.97 118.68 116.13 3khk s LEU 327 Ca 0.12 2.31 0.04 0.00 -0.22 0.00 0.00 54.13 56.37 3khk s LEU 327 Cb 0.07 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.30 3khk s LEU 327 CO 0.06 -0.67 0.19 -0.13 -1.32 0.00 0.00 176.35 174.48 3khk s ARG 328 N 1.33 1.79 0.33 1.98 0.52 -1.26 -4.59 118.95 119.05 3khk s ARG 328 Ca 0.65 -2.36 -0.07 0.00 -0.52 0.00 0.00 55.73 53.43 3khk s ARG 328 Cb -0.36 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 3khk s ARG 328 CO 0.30 -1.06 0.63 0.00 0.02 0.00 0.00 175.30 175.19 3khk s ALA 329 N 0.12 3.53 0.03 2.13 0.00 -0.64 -4.34 121.76 122.58 3khk s ALA 329 Ca 0.15 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 3khk s ALA 329 Cb -0.24 -2.44 -0.35 0.00 0.00 0.00 0.00 23.12 20.10 3khk s ALA 329 CO -0.03 0.14 0.98 -0.44 0.00 0.00 0.00 175.76 176.41 3khk h ASP 330 N 1.50 0.79 -3.32 0.00 3.32 -1.54 -1.84 116.42 115.33 3khk h ASP 330 Ca -0.48 -0.87 -0.63 0.00 0.02 0.00 0.00 57.03 55.08 3khk h ASP 330 Cb 1.19 -0.26 -0.34 0.00 0.22 0.00 0.00 39.33 40.15 3khk h ASP 330 CO 0.65 1.69 -0.86 -0.36 -1.72 0.00 0.00 179.24 178.64 3khk s PHE 331 N -2.60 2.24 -0.16 4.55 0.08 -1.00 -2.06 117.98 119.03 3khk s PHE 331 Ca -0.09 -0.97 0.01 0.00 0.12 0.00 0.00 56.93 56.00 3khk s PHE 331 Cb 0.04 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 3khk s PHE 331 CO 0.93 -0.43 -0.18 0.08 -0.10 0.00 0.00 175.22 175.52 3khk s VAL 332 N 0.61 1.90 -0.02 -0.44 1.01 -1.00 -1.34 120.40 121.12 3khk s VAL 332 Ca -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3khk s VAL 332 Cb -0.17 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3khk s VAL 332 CO 0.04 0.51 0.02 0.00 0.00 0.00 0.00 175.10 175.68 3khk s MET 333 N 1.25 0.07 0.05 2.72 0.23 -0.63 -1.30 119.30 121.69 3khk s MET 333 Ca 0.03 0.16 -0.21 0.00 -1.03 0.00 0.00 55.69 54.63 3khk s MET 333 Cb -0.13 -0.33 0.05 0.00 -1.53 0.00 0.00 34.83 32.88 3khk s MET 333 CO -0.10 -0.16 0.48 -0.08 -2.03 0.00 0.00 175.02 173.13 3khk s THR 334 N 1.09 0.04 -0.56 3.16 -1.32 -1.04 -4.20 115.64 112.81 3khk s THR 334 Ca -0.09 -0.32 0.04 0.00 -1.21 0.00 0.00 61.69 60.11 3khk s THR 334 Cb -0.13 -0.98 0.16 0.00 -1.51 0.00 0.00 72.50 70.04 3khk s THR 334 CO -0.03 -0.18 0.38 0.21 -2.21 0.00 0.00 174.62 172.80 3khk s ASN 335 N -2.06 3.68 0.72 8.08 2.47 -1.26 -2.39 114.94 124.18 3khk s ASN 335 Ca -0.05 -3.31 -0.06 0.00 0.42 0.00 0.00 52.86 49.86 3khk s ASN 335 Cb -0.01 -1.20 0.08 0.00 -1.45 0.00 0.00 41.25 38.67 3khk s ASN 335 CO -0.03 -0.16 1.02 -2.16 -3.72 0.00 0.00 177.10 172.05 3khk s PRO 336 N -0.57 1.99 0.08 0.43 0.04 -1.26 -3.43 135.00 132.28 3khk s PRO 336 Ca 0.24 -0.44 -0.31 0.00 0.04 0.00 0.00 61.00 60.54 3khk s PRO 336 Cb -0.09 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3khk s PRO 336 CO -0.12 -1.35 1.69 -2.14 0.04 0.00 0.00 177.00 175.12 3khk s PRO 337 N -5.26 4.19 0.72 0.56 0.02 -1.26 -4.29 135.00 129.68 3khk s PRO 337 Ca 0.62 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.88 3khk s PRO 337 Cb -0.09 -3.59 0.03 0.00 0.02 0.00 0.00 34.50 30.87 3khk s PRO 337 CO 0.45 -0.75 1.15 -0.06 -0.33 0.00 0.00 177.00 177.46 3khk s PHE 338 N 2.64 2.28 -0.40 6.54 0.08 -1.26 -4.13 117.98 123.73 3khk s PHE 338 Ca 0.75 1.59 -0.02 0.00 0.12 0.00 0.00 56.93 59.37 3khk s PHE 338 Cb -0.41 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 3khk s PHE 338 CO 0.33 -2.20 0.31 0.09 -0.10 0.00 0.00 175.22 173.65 3khk n ASN 339 N -2.77 -2.49 -4.65 1.36 3.02 -1.26 -4.83 115.26 103.65 3khk n ASN 339 Ca 0.12 -0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 53.80 3khk n ASN 339 Cb 0.51 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 3khk n ASN 339 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3khk s MET 340 N -3.26 4.20 0.36 3.52 1.75 -1.26 -4.87 119.30 119.75 3khk s MET 340 Ca 0.02 0.83 0.07 0.00 -1.25 0.00 0.00 55.69 55.36 3khk s MET 340 Cb -0.00 -3.62 -0.00 0.00 2.84 0.00 0.00 34.83 34.05 3khk s MET 340 CO 0.46 -0.40 0.51 0.15 -0.65 0.00 0.00 175.02 175.08 3khk s LYS 341 N 2.44 3.04 -0.20 4.11 1.02 -1.26 -1.78 119.74 127.11 3khk s LYS 341 Ca 0.33 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.27 3khk s LYS 341 Cb -0.16 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3khk s LYS 341 CO 0.09 -0.04 0.00 -0.25 -0.92 0.00 0.00 175.35 174.23 3khk n ASP 342 N -1.72 -3.44 -0.07 2.83 8.00 -1.26 -4.92 116.55 115.97 3khk n ASP 342 Ca 0.02 0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 3khk n ASP 342 Cb 0.58 -1.10 -0.15 0.00 -0.02 0.00 0.00 41.12 40.43 3khk n ASP 342 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3khk n TRP 343 N -2.87 0.37 -2.25 1.24 4.27 -1.26 -4.96 117.44 111.98 3khk n TRP 343 Ca -0.02 0.12 -0.37 0.00 -3.89 0.00 0.00 57.50 53.34 3khk n TRP 343 Cb 0.10 -1.06 -0.01 0.00 -1.36 0.00 0.00 31.31 28.97 3khk n TRP 343 CO 0.00 0.00 0.00 -0.46 -2.29 0.00 0.00 177.69 174.94 3khk s TRP 344 N -2.53 2.88 -0.02 -2.67 -0.11 -1.26 -4.98 118.94 110.25 3khk s TRP 344 Ca -0.12 1.53 -0.09 0.00 1.22 0.00 0.00 56.10 58.64 3khk s TRP 344 Cb 0.07 -3.39 0.01 0.00 -1.50 0.00 0.00 33.47 28.66 3khk s TRP 344 CO 0.80 -1.52 0.19 -1.01 -4.62 0.00 0.00 176.95 170.79 3khk s HIS 345 N -1.53 -0.06 0.33 5.86 3.76 -1.26 -5.05 115.29 117.33 3khk s HIS 345 Ca 0.63 0.09 0.09 0.00 -0.15 0.00 0.00 55.06 55.72 3khk s HIS 345 Cb -0.29 0.01 0.96 0.00 1.11 0.00 0.00 32.58 34.37 3khk s HIS 345 CO 0.35 -0.27 1.61 0.93 -0.85 0.00 0.00 174.74 176.51 3khk h GLU 346 N 4.50 0.12 0.00 1.40 4.39 -2.00 0.06 114.58 123.06 3khk h GLU 346 Ca -0.29 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3khk h GLU 346 Cb 1.19 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3khk h GLU 346 CO 0.40 0.08 0.00 1.63 -1.16 0.00 0.00 179.01 179.96 3khk n LYS 347 N -5.27 0.29 -0.08 2.33 4.76 -1.26 -2.38 118.16 116.56 3khk n LYS 347 Ca 0.28 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.64 3khk n LYS 347 Cb 0.92 -1.14 -0.14 0.00 -1.84 0.00 0.00 35.03 32.83 3khk n LYS 347 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3khk n LEU 348 N -0.64 0.00 -4.50 -0.35 4.77 0.01 -4.86 117.00 111.42 3khk n LEU 348 Ca 0.02 0.00 -0.56 0.00 -0.03 0.00 0.00 56.01 55.44 3khk n LEU 348 Cb 0.01 0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3khk n LEU 348 CO 0.01 0.41 0.53 0.00 -1.33 0.00 0.00 177.39 177.02 3khk n ALA 349 N -2.62 -3.02 -1.82 -1.18 0.00 -1.00 -0.24 120.51 110.63 3khk n ALA 349 Ca -0.27 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 3khk n ALA 349 Cb 1.04 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 3khk n ALA 349 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3khk n ASP 350 N 1.73 -4.48 -4.74 0.00 8.00 -1.26 -5.00 116.55 110.80 3khk n ASP 350 Ca 0.19 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.45 3khk n ASP 350 Cb 0.13 -3.42 -0.03 0.00 -0.02 0.00 0.00 41.12 37.78 3khk n ASP 350 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3khk s ASP 351 N -2.62 6.69 0.54 -2.24 -1.08 0.67 -4.93 116.67 113.70 3khk s ASP 351 Ca 0.00 2.59 0.28 0.00 -0.52 0.00 0.00 52.55 54.90 3khk s ASP 351 Cb 0.00 -2.61 1.45 0.00 -1.46 0.00 0.00 42.92 40.29 3khk s ASP 351 CO 0.00 -0.70 1.95 -0.65 0.52 0.00 0.00 175.17 176.29 3khk h PRO 352 N 5.62 0.00 -0.02 4.34 0.11 -1.94 -1.94 132.00 138.17 3khk h PRO 352 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3khk h PRO 352 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3khk h PRO 352 CO 0.81 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 178.74 3khk h ARG 353 N 0.00 0.00 -0.32 1.05 3.08 -1.91 0.11 114.38 116.39 3khk h ARG 353 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3khk h ARG 353 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3khk h ARG 353 CO -0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3khk n TRP 354 N -3.13 0.41 -3.99 3.04 5.03 -0.73 -4.57 117.44 113.50 3khk n TRP 354 Ca -0.02 -0.21 -0.33 0.00 3.03 0.00 0.00 57.50 59.97 3khk n TRP 354 Cb 0.21 0.00 -0.14 0.00 -1.03 0.00 0.00 31.31 30.34 3khk n TRP 354 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 3khk s THR 355 N -1.59 2.53 0.12 -0.99 2.01 0.40 0.52 115.64 118.64 3khk s THR 355 Ca 0.34 -1.68 -0.31 0.00 0.31 0.00 0.00 61.69 60.35 3khk s THR 355 Cb 0.18 -2.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.06 3khk s THR 355 CO 0.26 -0.18 1.46 -0.63 -0.69 0.00 0.00 174.62 174.85 3khk s ILE 356 N 1.13 3.10 -0.51 1.82 -1.09 0.28 -4.83 121.20 121.10 3khk s ILE 356 Ca -0.04 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3khk s ILE 356 Cb -0.20 -3.49 0.13 0.00 -1.58 0.00 0.00 42.46 37.32 3khk s ILE 356 CO -0.04 0.05 0.28 0.20 -1.23 0.00 0.00 174.94 174.21 3khk s ASN 357 N 1.24 4.87 0.02 3.58 0.02 -1.26 0.14 114.94 123.55 3khk s ASN 357 Ca 0.67 -2.67 0.03 0.00 -1.02 0.00 0.00 52.86 49.87 3khk s ASN 357 Cb -0.39 -1.75 -0.01 0.00 0.02 0.00 0.00 41.25 39.12 3khk s ASN 357 CO 0.30 -0.35 -0.09 0.42 0.02 0.00 0.00 177.10 177.40 3khk s THR 358 N 0.20 0.73 0.00 1.60 -4.23 -1.26 -5.00 115.64 107.67 3khk s THR 358 Ca 0.15 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.81 3khk s THR 358 Cb -0.22 -0.67 -0.19 0.00 1.34 0.00 0.00 72.50 72.75 3khk s THR 358 CO -0.03 -0.01 1.10 -3.20 -0.54 0.00 0.00 174.62 171.94 3khk n ASN 359 N 2.27 0.26 -4.66 3.99 2.85 -1.26 -4.96 115.26 113.76 3khk n ASN 359 Ca -0.17 -1.77 -0.40 0.00 -0.11 0.00 0.00 54.58 52.13 3khk n ASN 359 Cb 0.56 -0.34 -0.06 0.00 1.24 0.00 0.00 39.78 41.18 3khk n ASN 359 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3khk s LYS 362 N 5.22 4.20 -0.09 1.20 3.01 -1.26 -5.13 119.74 126.89 3khk s LYS 362 Ca 0.35 0.62 0.03 0.00 -1.01 0.00 0.00 55.97 55.97 3khk s LYS 362 Cb 0.08 -3.58 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 3khk s LYS 362 CO 0.18 -0.26 -0.20 0.50 0.51 0.00 0.00 175.35 176.08 3khk s ARG 363 N 1.98 2.66 -0.27 1.68 6.06 0.12 -4.98 118.95 126.19 3khk s ARG 363 Ca 0.29 -0.74 -0.05 0.00 -2.50 0.00 0.00 55.73 52.72 3khk s ARG 363 Cb -0.16 -2.05 0.01 0.00 0.06 0.00 0.00 34.95 32.81 3khk s ARG 363 CO 0.10 0.12 0.03 0.42 -2.50 0.00 0.00 175.30 173.47 3khk s ILE 364 N 0.47 3.67 -0.11 4.11 1.01 -1.26 0.10 121.20 129.18 3khk s ILE 364 Ca -0.17 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 3khk s ILE 364 Cb -0.17 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3khk s ILE 364 CO 0.07 0.18 0.05 -0.76 0.00 0.00 0.00 174.94 174.48 3khk s LEU 365 N 1.47 3.84 -0.19 2.97 1.43 0.18 -4.99 118.68 123.39 3khk s LEU 365 Ca 0.03 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 3khk s LEU 365 Cb -0.16 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3khk s LEU 365 CO 0.00 0.35 1.23 -0.89 0.23 0.00 0.00 176.35 177.28 3khk s THR 366 N -0.71 4.33 0.37 5.49 2.01 -1.26 -4.75 115.64 121.10 3khk s THR 366 Ca 0.12 1.59 -0.22 0.00 0.31 0.00 0.00 61.69 63.49 3khk s THR 366 Cb -0.12 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 3khk s THR 366 CO 0.02 -0.19 0.90 -2.16 -0.69 0.00 0.00 174.62 172.50 3khk s PRO 367 N 3.55 4.31 -0.91 4.92 0.04 -1.26 -4.91 135.00 140.74 3khk s PRO 367 Ca 0.53 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 3khk s PRO 367 Cb -0.20 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 3khk s PRO 367 CO 0.14 0.12 1.85 -1.25 0.04 0.00 0.00 177.00 177.91 3khk s PRO 368 N -2.71 2.74 0.51 0.56 0.04 -1.26 -4.84 135.00 130.04 3khk s PRO 368 Ca 0.56 -0.39 0.30 0.00 0.04 0.00 0.00 61.00 61.51 3khk s PRO 368 Cb -0.13 -5.08 1.11 0.00 0.04 0.00 0.00 34.50 30.45 3khk s PRO 368 CO 0.17 -3.13 1.89 1.79 0.04 0.00 0.00 177.00 177.76 3khk h THR 369 N 7.15 0.10 -0.65 1.26 1.35 -1.92 -2.77 112.91 117.43 3khk h THR 369 Ca 0.10 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3khk h THR 369 Cb 1.01 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3khk h THR 369 CO 1.25 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 177.17 3khk n GLY 370 N 0.25 2.30 3.53 5.82 0.00 -1.26 -4.50 105.19 111.31 3khk n GLY 370 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3khk n GLY 370 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3khk s ASN 371 N -1.14 -1.01 0.00 1.61 3.84 -1.04 -4.61 114.94 112.59 3khk s ASN 371 Ca 0.47 1.28 0.21 0.00 0.21 0.00 0.00 52.86 55.03 3khk s ASN 371 Cb 0.25 2.11 0.96 0.00 -0.55 0.00 0.00 41.25 44.02 3khk s ASN 371 CO 0.33 -0.19 1.68 0.00 -2.79 0.00 0.00 177.10 176.13 3khk n ALA 372 N 5.33 2.01 -0.17 1.71 0.00 -0.74 -4.15 120.51 124.51 3khk n ALA 372 Ca -0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 3khk n ALA 372 Cb 0.50 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3khk n ALA 372 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3khk h ASN 373 N 0.00 -1.06 1.50 0.00 2.35 -1.87 0.36 115.58 116.87 3khk h ASN 373 Ca 0.00 0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3khk h ASN 373 Cb 0.31 0.52 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 3khk h ASN 373 CO 0.00 -0.30 -0.13 -0.26 -1.65 0.00 0.00 177.43 175.09 3khk h PHE 374 N -0.18 0.00 0.14 1.19 0.04 -1.93 -3.10 116.94 113.10 3khk h PHE 374 Ca 0.21 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 3khk h PHE 374 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 3khk h PHE 374 CO -0.58 0.13 -0.07 0.00 -0.60 0.00 0.00 178.31 177.19 3khk h ALA 375 N 1.87 -0.19 -0.44 2.45 0.00 -0.61 -0.75 119.26 121.59 3khk h ALA 375 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3khk h ALA 375 Cb 0.91 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3khk h ALA 375 CO 0.02 -0.49 -0.37 -1.49 0.00 0.00 0.00 179.25 176.92 3khk h TRP 376 N -0.43 -1.17 -0.83 0.00 -0.00 -0.98 0.29 115.95 112.83 3khk h TRP 376 Ca -0.02 0.07 0.10 0.00 -0.00 0.00 0.00 58.89 59.04 3khk h TRP 376 Cb 0.34 0.57 -0.12 0.00 -0.00 0.00 0.00 29.16 29.95 3khk h TRP 376 CO 0.00 -0.28 -0.51 1.98 -0.00 0.00 0.00 178.44 179.63 3khk h MET 377 N -0.14 -0.10 -0.90 0.49 4.05 -1.46 0.26 114.93 117.14 3khk h MET 377 Ca 0.07 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.55 3khk h MET 377 Cb 0.33 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.10 3khk h MET 377 CO -0.49 -0.06 0.59 -0.07 0.23 0.00 0.00 176.91 177.10 3khk h LEU 378 N -0.10 0.94 -0.21 3.39 3.38 -0.40 0.41 115.31 122.71 3khk h LEU 378 Ca 0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3khk h LEU 378 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3khk h LEU 378 CO -0.85 0.62 0.05 -0.74 0.09 0.00 0.00 178.44 177.61 3khk h HIS 379 N 1.07 0.35 -0.25 1.13 2.76 0.17 -1.28 115.15 119.10 3khk h HIS 379 Ca 0.37 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.56 3khk h HIS 379 Cb 0.11 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 28.92 3khk h HIS 379 CO -0.00 0.44 -0.12 0.52 -1.30 0.00 0.00 177.93 177.47 3khk h MET 380 N 0.15 -0.08 -0.23 5.26 2.86 0.96 -2.27 114.93 121.57 3khk h MET 380 Ca 0.06 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3khk h MET 380 Cb 0.27 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3khk h MET 380 CO 0.00 -0.06 -0.05 1.25 1.06 0.00 0.00 176.91 179.11 3khk h LEU 381 N -0.09 -0.21 -1.33 1.22 5.85 0.04 -0.24 115.31 120.55 3khk h LEU 381 Ca 0.13 0.07 0.15 0.00 0.84 0.00 0.00 57.88 59.07 3khk h LEU 381 Cb 0.29 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 3khk h LEU 381 CO -0.31 -0.07 0.57 0.22 -0.34 0.00 0.00 178.44 178.51 3khk h TYR 382 N 0.00 0.77 -0.73 1.25 3.20 -1.17 -0.82 116.97 119.48 3khk h TYR 382 Ca 0.11 0.02 -0.36 0.00 3.14 0.00 0.00 58.73 61.64 3khk h TYR 382 Cb 0.17 -0.24 -0.21 0.00 1.54 0.00 0.00 36.73 37.98 3khk h TYR 382 CO -0.24 0.28 0.46 0.72 -1.64 0.00 0.00 178.16 177.73 3khk n HIS 383 N -4.55 2.25 -3.94 -3.82 8.25 -0.15 -4.87 115.22 108.39 3khk n HIS 383 Ca 0.17 -1.44 -0.35 0.00 -0.26 0.00 0.00 57.72 55.85 3khk n HIS 383 Cb 0.50 -0.75 -0.14 0.00 1.12 0.00 0.00 29.99 30.72 3khk n HIS 383 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3khk s LEU 384 N -2.44 3.01 0.97 2.41 2.96 -0.31 -1.61 118.68 123.66 3khk s LEU 384 Ca 0.43 -0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 3khk s LEU 384 Cb 0.36 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3khk s LEU 384 CO 0.09 -0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 174.95 3khk n ALA 385 N 4.73 -3.78 0.31 5.97 0.00 -0.69 -4.83 120.51 122.22 3khk n ALA 385 Ca -0.17 -0.65 0.16 0.00 0.00 0.00 0.00 53.44 52.77 3khk n ALA 385 Cb 0.49 -1.53 0.62 0.00 0.00 0.00 0.00 19.45 19.03 3khk n ALA 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3khk h PRO 386 N -1.35 0.00 -0.68 0.00 0.11 -1.94 -2.34 132.00 125.80 3khk h PRO 386 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3khk h PRO 386 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3khk h PRO 386 CO 0.30 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.34 3khk n THR 387 N -2.89 1.00 -2.17 -1.15 -2.24 -1.26 -3.21 114.28 102.36 3khk n THR 387 Ca 0.01 -0.94 -0.28 0.00 -2.27 0.00 0.00 64.05 60.58 3khk n THR 387 Cb 0.30 0.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3khk n THR 387 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3khk s GLY 388 N -0.99 1.62 -0.04 3.38 0.00 -0.88 -4.80 107.32 105.62 3khk s GLY 388 Ca 0.46 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.62 3khk s GLY 388 CO 0.30 -0.25 -0.09 -0.56 0.00 0.00 0.00 173.10 172.51 3khk s SER 389 N -4.36 1.26 0.11 1.64 0.01 -0.88 -2.81 113.70 108.68 3khk s SER 389 Ca 0.56 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.71 3khk s SER 389 Cb -0.11 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 3khk s SER 389 CO 0.48 0.04 -0.21 0.00 0.41 0.00 0.00 173.24 173.95 3khk s MET 390 N 0.42 1.18 -0.01 12.44 0.23 0.49 -2.37 119.30 131.67 3khk s MET 390 Ca -0.07 -1.21 0.00 0.00 -1.03 0.00 0.00 55.69 53.38 3khk s MET 390 Cb -0.11 -1.45 0.01 0.00 -1.53 0.00 0.00 34.83 31.75 3khk s MET 390 CO 0.01 0.33 0.01 0.00 -2.03 0.00 0.00 175.02 173.34 3khk s ALA 391 N -1.24 0.09 0.03 3.16 0.00 -0.42 -0.25 121.76 123.12 3khk s ALA 391 Ca 0.08 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3khk s ALA 391 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3khk s ALA 391 CO 0.05 -0.05 -0.07 -0.48 0.00 0.00 0.00 175.76 175.22 3khk s LEU 392 N 0.53 2.19 -0.03 0.00 0.05 -0.23 -2.51 118.68 118.68 3khk s LEU 392 Ca -0.05 -0.42 -0.24 0.00 0.05 0.00 0.00 54.13 53.47 3khk s LEU 392 Cb -0.07 -0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 43.87 3khk s LEU 392 CO -0.01 -0.14 0.73 -0.22 -0.55 0.00 0.00 176.35 176.15 3khk s LEU 393 N -1.19 4.36 0.33 1.48 2.96 -1.01 -0.36 118.68 125.25 3khk s LEU 393 Ca -0.07 1.28 -0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3khk s LEU 393 Cb -0.08 -3.14 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 3khk s LEU 393 CO 0.00 -0.08 0.43 -0.76 -1.32 0.00 0.00 176.35 174.62 3khk s LEU 394 N 0.57 1.12 0.29 -0.68 1.43 0.15 -4.44 118.68 117.11 3khk s LEU 394 Ca 0.38 -1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 51.69 3khk s LEU 394 Cb -0.19 1.29 -0.09 0.00 0.03 0.00 0.00 46.19 47.23 3khk s LEU 394 CO 0.20 -1.24 1.04 0.00 0.23 0.00 0.00 176.35 176.58 3khk s ALA 395 N -3.19 3.34 0.51 4.21 0.00 -1.26 0.05 121.76 125.41 3khk s ALA 395 Ca 0.32 0.77 0.32 0.00 0.00 0.00 0.00 51.96 53.38 3khk s ALA 395 Cb 0.00 -3.28 1.45 0.00 0.00 0.00 0.00 23.12 21.29 3khk s ALA 395 CO 0.21 -0.04 1.79 -0.91 0.00 0.00 0.00 175.76 176.81 3khk h ASN 396 N 3.71 0.11 -0.89 0.00 2.35 -1.82 0.30 115.58 119.34 3khk h ASN 396 Ca -0.46 0.02 0.19 0.00 -0.55 0.00 0.00 56.30 55.50 3khk h ASN 396 Cb 1.21 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 39.47 3khk h ASN 396 CO 0.67 0.01 0.44 1.23 -1.65 0.00 0.00 177.43 178.13 3khk h GLY 397 N 0.09 1.52 -0.85 2.83 0.00 -1.92 0.10 103.07 104.84 3khk h GLY 397 Ca 0.58 -0.22 0.30 0.00 0.00 0.00 0.00 47.33 47.99 3khk h GLY 397 CO -0.08 -0.16 0.27 -1.14 0.00 0.00 0.00 176.54 175.42 3khk n SER 398 N -4.95 0.13 0.22 0.19 3.41 0.09 0.19 113.62 112.91 3khk n SER 398 Ca 0.21 1.43 0.12 0.00 -0.26 0.00 0.00 58.87 60.36 3khk n SER 398 Cb 0.57 -0.62 0.20 0.00 -0.26 0.00 0.00 64.21 64.11 3khk n SER 398 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3khk h MET 399 N 0.00 0.00 0.00 4.33 2.86 -0.97 -3.39 114.93 117.76 3khk h MET 399 Ca 0.63 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.27 3khk h MET 399 Cb 1.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.21 3khk h MET 399 CO -0.72 0.02 0.00 -1.13 1.06 0.00 0.00 176.91 176.14 3khk n SER 400 N -3.10 0.00 -4.79 1.22 3.41 -0.35 -1.69 113.62 108.32 3khk n SER 400 Ca 0.04 -0.88 -0.36 0.00 -0.26 0.00 0.00 58.87 57.41 3khk n SER 400 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3khk n SER 400 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3khk s SER 401 N 0.00 6.70 0.00 4.04 0.15 0.13 -4.94 113.70 119.78 3khk s SER 401 Ca 0.00 1.96 0.16 0.00 0.70 0.00 0.00 55.95 58.77 3khk s SER 401 Cb 0.00 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.83 3khk s SER 401 CO 0.00 -0.53 0.95 0.59 1.20 0.00 0.00 173.24 175.46 3khk n ASN 402 N -0.32 2.12 -4.73 5.45 3.02 -1.26 -3.71 115.26 115.83 3khk n ASN 402 Ca 0.06 -1.56 -0.30 0.00 -0.03 0.00 0.00 54.58 52.75 3khk n ASN 402 Cb 0.51 0.13 0.13 0.00 -0.61 0.00 0.00 39.78 39.93 3khk n ASN 402 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3khk s THR 403 N -1.46 2.80 -1.64 3.41 -4.23 -1.26 -4.01 115.64 109.27 3khk s THR 403 Ca 0.17 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3khk s THR 403 Cb 0.13 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3khk s THR 403 CO 0.25 -0.34 0.00 0.59 -0.54 0.00 0.00 174.62 174.58 3khk n ASN 404 N -3.81 -5.44 -3.74 3.99 4.13 -1.26 -1.90 115.26 107.23 3khk n ASN 404 Ca 0.08 0.05 -0.26 0.00 1.68 0.00 0.00 54.58 56.13 3khk n ASN 404 Cb 0.55 -4.55 0.05 0.00 -1.54 0.00 0.00 39.78 34.29 3khk n ASN 404 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3khk n ASN 405 N -1.93 -5.06 0.01 6.41 5.15 -1.26 -4.05 115.26 114.53 3khk n ASN 405 Ca -0.22 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 3khk n ASN 405 Cb 0.67 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.35 3khk n ASN 405 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3khk n GLU 406 N -4.77 0.64 0.18 1.20 1.02 -0.80 -2.87 120.64 115.24 3khk n GLU 406 Ca -0.02 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 3khk n GLU 406 Cb 0.56 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 3khk n GLU 406 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3khk h GLY 407 N 3.82 -0.51 0.05 0.62 0.00 -1.78 0.36 103.07 105.63 3khk h GLY 407 Ca -0.19 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3khk h GLY 407 CO 0.03 -0.19 -0.35 0.83 0.00 0.00 0.00 176.54 176.86 3khk h GLU 408 N -0.91 -0.39 -0.45 4.80 4.39 -1.93 0.51 114.58 120.61 3khk h GLU 408 Ca -0.05 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.71 3khk h GLU 408 Cb 0.54 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 3khk h GLU 408 CO 0.08 -0.26 0.23 0.82 -1.16 0.00 0.00 179.01 178.73 3khk h ILE 409 N -0.40 0.98 0.00 3.13 2.04 -1.54 0.50 117.51 122.23 3khk h ILE 409 Ca 0.10 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3khk h ILE 409 Cb 0.57 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3khk h ILE 409 CO -0.40 0.09 -0.13 -0.09 0.00 0.00 0.00 178.15 177.62 3khk h ARG 410 N 0.47 0.00 0.39 2.37 2.43 0.08 -1.46 114.38 118.66 3khk h ARG 410 Ca 0.19 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3khk h ARG 410 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3khk h ARG 410 CO -0.12 0.13 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.05 3khk h LYS 411 N 0.00 -0.50 -0.17 0.20 3.64 0.18 -3.17 116.57 116.74 3khk h LYS 411 Ca -0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3khk h LYS 411 Cb 0.24 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3khk h LYS 411 CO 0.02 -0.21 -0.10 1.15 -2.27 0.00 0.00 179.45 178.04 3khk h THR 412 N -1.01 0.70 -0.83 1.00 2.02 -0.77 0.10 112.91 114.12 3khk h THR 412 Ca -0.05 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.32 3khk h THR 412 Cb 0.52 0.70 -0.12 0.00 -1.74 0.00 0.00 68.15 67.51 3khk h THR 412 CO 0.09 0.00 0.26 -0.07 0.37 0.00 0.00 175.52 176.17 3khk h LEU 413 N -0.09 0.11 0.26 2.58 3.38 -1.41 -1.12 115.31 119.04 3khk h LEU 413 Ca 0.10 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3khk h LEU 413 Cb 0.23 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3khk h LEU 413 CO -0.23 -0.05 -0.13 0.58 0.09 0.00 0.00 178.44 178.70 3khk h VAL 414 N 0.30 0.40 -1.31 1.22 2.07 -1.27 -2.25 116.25 115.42 3khk h VAL 414 Ca 0.50 -0.88 0.45 0.00 0.82 0.00 0.00 66.70 67.58 3khk h VAL 414 Cb 0.92 0.68 -0.14 0.00 -1.52 0.00 0.00 31.29 31.23 3khk h VAL 414 CO -0.55 0.11 0.83 -0.33 0.02 0.00 0.00 177.57 177.64 3khk h GLU 415 N -1.00 0.05 -0.44 1.57 5.08 -0.54 1.73 114.58 121.03 3khk h GLU 415 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3khk h GLU 415 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3khk h GLU 415 CO 0.06 0.03 0.00 1.04 -1.00 0.00 0.00 179.01 179.14 3khk n GLN 416 N -4.77 2.06 -1.25 2.33 1.13 -0.45 -4.93 117.38 111.50 3khk n GLN 416 Ca 0.38 -1.64 -0.09 0.00 -1.94 0.00 0.00 57.00 53.71 3khk n GLN 416 Cb 1.46 -1.37 -0.04 0.00 0.11 0.00 0.00 30.24 30.41 3khk n GLN 416 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3khk n ASP 417 N 0.84 -4.42 0.09 1.08 2.03 0.59 -4.88 116.55 111.88 3khk n ASP 417 Ca 0.16 0.21 -0.14 0.00 0.52 0.00 0.00 54.79 55.54 3khk n ASP 417 Cb 0.39 -2.67 -0.09 0.00 -0.72 0.00 0.00 41.12 38.03 3khk n ASP 417 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3khk h LEU 418 N 0.00 0.43 -9.51 -2.67 3.38 -1.60 -3.44 115.31 101.91 3khk h LEU 418 Ca -0.17 -0.41 -0.53 0.00 0.09 0.00 0.00 57.88 56.85 3khk h LEU 418 Cb 0.69 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3khk h LEU 418 CO 0.26 1.27 0.56 -0.69 0.09 0.00 0.00 178.44 179.93 3khk s VAL 419 N -2.92 3.95 -0.08 1.22 1.01 -1.25 -0.12 120.40 122.21 3khk s VAL 419 Ca -0.04 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.44 3khk s VAL 419 Cb 0.08 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 3khk s VAL 419 CO 0.87 0.13 0.03 1.21 0.00 0.00 0.00 175.10 177.34 3khk n GLU 420 N 3.74 2.60 -3.64 2.72 2.13 0.18 -4.79 120.64 123.58 3khk n GLU 420 Ca 0.08 -0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.79 3khk n GLU 420 Cb 0.46 -1.22 -0.07 0.00 0.27 0.00 0.00 31.44 30.88 3khk n GLU 420 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3khk s MET 422 N 0.38 2.68 -0.06 0.00 -1.94 -0.59 -0.36 119.30 119.40 3khk s MET 422 Ca 0.01 -0.80 0.05 0.00 -1.71 0.00 0.00 55.69 53.24 3khk s MET 422 Cb -0.05 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.68 3khk s MET 422 CO -0.04 0.20 -0.22 0.08 -0.01 0.00 0.00 175.02 175.02 3khk s VAL 423 N 0.28 2.31 -0.15 -6.03 1.01 -0.80 -1.60 120.40 115.41 3khk s VAL 423 Ca -0.15 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 3khk s VAL 423 Cb -0.16 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3khk s VAL 423 CO 0.07 0.57 0.12 0.00 0.00 0.00 0.00 175.10 175.86 3khk s ALA 424 N -0.20 3.73 0.02 5.51 0.00 -1.06 -2.06 121.76 127.70 3khk s ALA 424 Ca -0.02 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3khk s ALA 424 Cb -0.13 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 3khk s ALA 424 CO 0.03 0.42 -0.03 -0.51 0.00 0.00 0.00 175.76 175.68 3khk s LEU 425 N -0.43 3.36 0.15 0.00 1.43 -1.04 -1.78 118.68 120.38 3khk s LEU 425 Ca 0.11 -0.10 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 3khk s LEU 425 Cb -0.12 -1.96 -0.16 0.00 0.03 0.00 0.00 46.19 43.98 3khk s LEU 425 CO 0.02 0.26 1.21 -2.65 0.23 0.00 0.00 176.35 175.42 3khk n PRO 426 N 1.29 1.19 -0.32 1.29 -0.02 -1.26 -4.66 135.00 132.51 3khk n PRO 426 Ca -0.14 0.43 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3khk n PRO 426 Cb 0.52 -1.96 0.23 0.00 -0.02 0.00 0.00 33.50 32.27 3khk n PRO 426 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3khk h GLY 427 N 3.69 1.39 1.78 -1.23 0.00 -1.91 -1.10 103.07 105.68 3khk h GLY 427 Ca -0.44 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3khk h GLY 427 CO 0.72 0.28 0.00 0.61 0.00 0.00 0.00 176.54 178.16 3khk n GLN 428 N -4.51 0.09 -1.90 4.80 10.64 -1.26 -4.78 117.38 120.46 3khk n GLN 428 Ca 0.15 0.23 -0.40 0.00 -1.83 0.00 0.00 57.00 55.15 3khk n GLN 428 Cb 0.22 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.11 3khk n GLN 428 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3khk s LEU 429 N -2.78 4.15 -0.64 2.61 2.96 -0.42 -2.15 118.68 122.42 3khk s LEU 429 Ca 0.09 2.81 -0.27 0.00 -0.22 0.00 0.00 54.13 56.54 3khk s LEU 429 Cb 0.08 -3.93 0.00 0.00 0.50 0.00 0.00 46.19 42.85 3khk s LEU 429 CO 0.20 -1.05 1.61 0.12 -1.32 0.00 0.00 176.35 175.92 3khk s PHE 430 N -1.23 1.94 0.00 5.38 5.36 0.26 -4.71 117.98 124.98 3khk s PHE 430 Ca 0.59 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3khk s PHE 430 Cb -0.41 -4.31 0.00 0.00 -0.34 0.00 0.00 43.02 37.96 3khk s PHE 430 CO 0.53 -2.21 0.08 -2.37 -1.46 0.00 0.00 175.22 169.79 3khk n THR 431 N 6.90 0.00 -0.72 0.12 5.66 -1.26 -4.70 114.28 120.27 3khk n THR 431 Ca 0.14 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3khk n THR 431 Cb 0.51 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 70.44 3khk n THR 431 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3khk n ASN 432 N -0.35 -2.95 -4.72 1.09 4.05 -1.26 -4.63 115.26 106.48 3khk n ASN 432 Ca 0.00 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.68 3khk n ASN 432 Cb 0.04 -2.89 -0.09 0.00 1.23 0.00 0.00 39.78 38.07 3khk n ASN 432 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3khk s THR 433 N -0.96 4.75 -0.16 -0.44 -4.23 -1.26 -2.66 115.64 110.68 3khk s THR 433 Ca 0.00 -0.07 0.21 0.00 -1.18 0.00 0.00 61.69 60.65 3khk s THR 433 Cb 0.00 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 71.00 3khk s THR 433 CO 0.00 0.57 1.62 0.06 -0.54 0.00 0.00 174.62 176.34 3khk h GLN 434 N 5.51 0.00 -5.12 3.99 3.07 -1.96 -3.42 115.11 117.19 3khk h GLN 434 Ca -0.48 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 57.63 3khk h GLN 434 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.59 3khk h GLN 434 CO 0.59 0.24 -0.55 0.42 0.09 0.00 0.00 178.83 179.62 3khk s ILE 435 N -3.25 4.92 0.84 1.86 1.01 -1.26 -5.10 121.20 120.22 3khk s ILE 435 Ca 0.04 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 3khk s ILE 435 Cb 0.07 -3.27 0.09 0.00 0.01 0.00 0.00 42.46 39.36 3khk s ILE 435 CO 0.68 0.38 1.13 -2.65 0.00 0.00 0.00 174.94 174.48 3khk n PRO 436 N 4.19 0.01 -4.26 2.79 -0.02 -1.26 -4.84 135.00 131.61 3khk n PRO 436 Ca -0.16 0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.26 3khk n PRO 436 Cb 0.52 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 3khk n PRO 436 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3khk s ALA 437 N -2.25 1.45 0.13 3.55 0.00 -1.26 -2.71 121.76 120.68 3khk s ALA 437 Ca 0.71 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 3khk s ALA 437 Cb -0.28 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3khk s ALA 437 CO 0.53 -0.37 0.37 0.00 0.00 0.00 0.00 175.76 176.29 3khk s ILE 439 N -3.82 3.30 -0.17 0.00 1.01 -0.88 0.30 121.20 120.94 3khk s ILE 439 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3khk s ILE 439 Cb 0.02 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3khk s ILE 439 CO -0.11 0.53 0.12 0.26 0.00 0.00 0.00 174.94 175.74 3khk s TRP 440 N 0.11 3.43 -0.13 3.97 0.52 0.51 -1.90 118.94 125.45 3khk s TRP 440 Ca -0.05 0.34 0.02 0.00 0.02 0.00 0.00 56.10 56.44 3khk s TRP 440 Cb -0.14 -2.07 0.00 0.00 -1.15 0.00 0.00 33.47 30.11 3khk s TRP 440 CO 0.04 0.40 -0.21 0.12 0.02 0.00 0.00 176.95 177.32 3khk s PHE 441 N -0.07 2.67 0.07 -1.98 2.19 0.51 -1.07 117.98 120.30 3khk s PHE 441 Ca 0.09 -1.15 0.06 0.00 0.33 0.00 0.00 56.93 56.27 3khk s PHE 441 Cb -0.11 -1.80 -0.03 0.00 -1.31 0.00 0.00 43.02 39.77 3khk s PHE 441 CO 0.00 -0.50 -0.18 -0.51 1.83 0.00 0.00 175.22 175.87 3khk s LEU 442 N 0.64 2.24 0.23 6.12 1.02 0.65 0.47 118.68 130.06 3khk s LEU 442 Ca -0.11 -0.59 0.08 0.00 0.02 0.00 0.00 54.13 53.53 3khk s LEU 442 Cb -0.16 -0.74 -0.05 0.00 0.02 0.00 0.00 46.19 45.26 3khk s LEU 442 CO 0.02 0.03 -0.13 0.42 0.02 0.00 0.00 176.35 176.72 3khk s THR 443 N -1.06 1.79 -0.80 5.49 -4.23 0.82 -0.38 115.64 117.27 3khk s THR 443 Ca 0.03 -2.21 0.21 0.00 -1.18 0.00 0.00 61.69 58.55 3khk s THR 443 Cb -0.09 -2.18 -0.25 0.00 1.34 0.00 0.00 72.50 71.32 3khk s THR 443 CO 0.03 -0.50 0.82 0.29 -0.54 0.00 0.00 174.62 174.71 3khk n LYS 444 N -0.46 0.14 -3.51 3.99 5.02 -1.12 -4.46 118.16 117.76 3khk n LYS 444 Ca -0.07 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 55.91 3khk n LYS 444 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 3khk n LYS 444 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3khk n ASP 445 N -1.66 0.34 -0.12 4.39 4.64 -1.20 -4.87 116.55 118.08 3khk n ASP 445 Ca 0.02 -2.57 0.02 0.00 -1.38 0.00 0.00 54.79 50.88 3khk n ASP 445 Cb 0.38 -0.60 0.09 0.00 -1.04 0.00 0.00 41.12 39.95 3khk n ASP 445 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khk n LYS 446 N 2.61 1.15 -1.16 -0.67 5.02 -1.26 -4.95 118.16 118.90 3khk n LYS 446 Ca 0.28 -0.24 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 3khk n LYS 446 Cb 0.45 -1.08 0.12 0.00 -0.02 0.00 0.00 35.03 34.49 3khk n LYS 446 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3khk s ASN 447 N -1.07 3.90 -0.51 4.39 0.01 -1.26 -1.74 114.94 118.65 3khk s ASN 447 Ca 0.08 1.74 -0.28 0.00 -0.71 0.00 0.00 52.86 53.68 3khk s ASN 447 Cb 0.04 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.31 3khk s ASN 447 CO 0.05 -2.41 1.33 0.00 -1.51 0.00 0.00 177.10 174.57 3khk s ALA 448 N -2.88 2.96 0.14 0.60 0.00 -1.26 -4.39 121.76 116.94 3khk s ALA 448 Ca 0.63 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 3khk s ALA 448 Cb -0.18 -4.01 0.05 0.00 0.00 0.00 0.00 23.12 18.98 3khk s ALA 448 CO 0.57 -2.63 0.49 0.15 0.00 0.00 0.00 175.76 174.34 3khk s LYS 449 N 5.08 1.16 -0.89 0.00 1.02 0.85 -4.86 119.74 122.10 3khk s LYS 449 Ca 0.53 -0.60 -0.21 0.00 0.02 0.00 0.00 55.97 55.71 3khk s LYS 449 Cb -0.10 0.52 0.03 0.00 -0.52 0.00 0.00 37.83 37.76 3khk s LYS 449 CO 0.28 -0.48 0.39 0.09 -0.92 0.00 0.00 175.35 174.71 3khk n ASN 450 N -0.28 -2.21 0.00 2.83 5.03 -1.26 0.17 115.26 119.53 3khk n ASN 450 Ca -0.16 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.37 3khk n ASN 450 Cb 0.64 -1.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 3khk n ASN 450 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3khk n GLY 451 N -1.82 2.89 3.94 7.41 0.00 -1.26 -5.03 105.19 111.32 3khk n GLY 451 Ca -0.10 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 3khk n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khk s LYS 452 N 0.00 3.46 0.30 1.61 1.02 0.44 -4.75 119.74 121.82 3khk s LYS 452 Ca 0.00 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 55.52 3khk s LYS 452 Cb 0.00 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3khk s LYS 452 CO 0.00 0.47 0.33 -0.98 -0.92 0.00 0.00 175.35 174.24 3khk s ARG 453 N -3.37 3.01 -0.67 1.68 1.70 -0.21 -0.11 118.95 120.98 3khk s ARG 453 Ca 0.36 -1.06 -0.26 0.00 -0.47 0.00 0.00 55.73 54.29 3khk s ARG 453 Cb -0.11 -2.67 -0.02 0.00 -0.57 0.00 0.00 34.95 31.59 3khk s ARG 453 CO 0.29 0.22 1.81 0.34 -1.08 0.00 0.00 175.30 176.88 3khk s ASP 454 N -4.00 5.36 -0.36 -2.89 2.15 -1.26 -4.04 116.67 111.62 3khk s ASP 454 Ca 0.39 0.11 0.06 0.00 0.43 0.00 0.00 52.55 53.54 3khk s ASP 454 Cb -0.08 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.50 3khk s ASP 454 CO 0.28 -2.36 1.51 -2.11 -0.17 0.00 0.00 175.17 172.32 3khk n ARG 455 N 9.16 2.36 -1.64 4.34 1.85 -0.71 -4.91 116.66 127.12 3khk n ARG 455 Ca 0.21 -3.42 -0.40 0.00 -1.00 0.00 0.00 57.85 53.24 3khk n ARG 455 Cb 0.51 -2.00 0.02 0.00 -1.05 0.00 0.00 32.46 29.94 3khk n ARG 455 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3khk n ARG 456 N -1.01 1.42 -0.17 2.89 1.74 -1.26 -1.69 116.66 118.58 3khk n ARG 456 Ca 0.41 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3khk n ARG 456 Cb 1.00 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3khk n ARG 456 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3khk n GLY 457 N 1.10 1.91 3.92 -0.13 0.00 -1.26 -5.00 105.19 105.73 3khk n GLY 457 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3khk n GLY 457 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3khk s GLN 458 N -0.05 3.45 -0.04 1.61 -0.21 -0.68 -1.50 119.66 122.24 3khk s GLN 458 Ca 0.00 -0.42 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 3khk s GLN 458 Cb 0.00 -3.02 0.03 0.00 1.00 0.00 0.00 33.01 31.02 3khk s GLN 458 CO 0.00 0.59 0.04 0.08 -2.12 0.00 0.00 175.29 173.88 3khk s VAL 459 N -1.54 -0.03 -0.44 1.09 1.01 0.67 -4.74 120.40 116.41 3khk s VAL 459 Ca 0.35 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.44 3khk s VAL 459 Cb -0.13 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.10 3khk s VAL 459 CO 0.28 0.16 0.72 -0.22 0.00 0.00 0.00 175.10 176.04 3khk s LEU 460 N 1.79 4.37 -0.08 3.92 2.96 -0.96 -1.57 118.68 129.11 3khk s LEU 460 Ca 0.00 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 3khk s LEU 460 Cb -0.12 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 3khk s LEU 460 CO -0.03 -0.85 0.38 -0.36 -1.32 0.00 0.00 176.35 174.17 3khk s PHE 461 N 3.07 3.59 0.01 5.38 0.08 -0.52 -1.54 117.98 128.05 3khk s PHE 461 Ca 0.26 0.83 0.05 0.00 0.12 0.00 0.00 56.93 58.20 3khk s PHE 461 Cb -0.13 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.94 3khk s PHE 461 CO 0.21 0.40 -0.16 0.42 -0.10 0.00 0.00 175.22 175.99 3khk s ILE 462 N -0.15 1.24 -0.32 0.64 1.01 -0.63 -0.95 121.20 122.04 3khk s ILE 462 Ca 0.22 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 3khk s ILE 462 Cb -0.15 -1.07 0.05 0.00 0.01 0.00 0.00 42.46 41.30 3khk s ILE 462 CO 0.09 0.21 0.05 -0.62 0.00 0.00 0.00 174.94 174.67 3khk s ASP 463 N -0.74 5.10 -0.09 3.58 -1.08 0.20 -2.56 116.67 121.07 3khk s ASP 463 Ca 0.05 -1.23 0.13 0.00 -0.52 0.00 0.00 52.55 50.98 3khk s ASP 463 Cb -0.07 -1.79 0.54 0.00 -1.46 0.00 0.00 42.92 40.14 3khk s ASP 463 CO 0.00 -0.30 1.40 0.00 0.52 0.00 0.00 175.17 176.80 3khk n ALA 464 N 4.71 3.00 -0.19 3.66 0.00 -0.73 -4.61 120.51 126.35 3khk n ALA 464 Ca -0.13 -1.18 0.26 0.00 0.00 0.00 0.00 53.44 52.39 3khk n ALA 464 Cb 0.44 -1.03 0.66 0.00 0.00 0.00 0.00 19.45 19.52 3khk n ALA 464 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khk h ARG 465 N 3.02 0.11 0.00 0.00 -0.00 -1.86 -2.66 114.38 112.99 3khk h ARG 465 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 3khk h ARG 465 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.12 3khk h ARG 465 CO 0.19 0.08 -1.58 1.63 0.00 0.00 0.00 179.97 180.29 3khk n LYS 466 N -4.35 0.40 -1.23 0.04 5.02 -1.26 -4.38 118.16 112.40 3khk n LYS 466 Ca 0.19 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 3khk n LYS 466 Cb 0.88 -1.52 0.11 0.00 -0.02 0.00 0.00 35.03 34.48 3khk n LYS 466 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3khk s LEU 467 N -3.94 2.69 0.00 -0.35 1.43 -1.00 -4.95 118.68 112.56 3khk s LEU 467 Ca -0.02 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 3khk s LEU 467 Cb 0.15 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 42.12 3khk s LEU 467 CO 0.89 -2.31 0.00 0.61 0.23 0.00 0.00 176.35 175.77 3khk n GLY 468 N -1.16 0.23 3.32 -3.19 0.00 -1.26 -4.91 105.19 98.21 3khk n GLY 468 Ca 0.08 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 3khk n GLY 468 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3khk s TYR 469 N -1.48 1.76 -0.73 1.61 -0.85 -0.13 -4.92 117.35 112.61 3khk s TYR 469 Ca 0.00 -0.47 -0.26 0.00 -0.52 0.00 0.00 57.07 55.82 3khk s TYR 469 Cb 0.00 -0.89 -0.02 0.00 0.38 0.00 0.00 41.96 41.43 3khk s TYR 469 CO 0.00 0.29 1.78 -1.64 -1.52 0.00 0.00 175.55 174.46 3khk s MET 470 N -2.68 2.75 0.09 -3.49 -1.94 -1.26 -1.25 119.30 111.51 3khk s MET 470 Ca 0.14 0.16 -0.35 0.00 -1.71 0.00 0.00 55.69 53.92 3khk s MET 470 Cb -0.06 -4.59 -0.16 0.00 2.01 0.00 0.00 34.83 32.03 3khk s MET 470 CO 0.06 -2.78 1.57 -0.22 -0.01 0.00 0.00 175.02 173.63 3khk h LYS 471 N 13.04 -0.90 0.00 2.03 3.64 -1.64 -3.46 116.57 129.28 3khk h LYS 471 Ca -0.14 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3khk h LYS 471 Cb 1.10 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3khk h LYS 471 CO 1.24 -0.60 0.00 -0.40 -2.27 0.00 0.00 179.45 177.42 3khk n ASP 472 N -5.54 0.21 0.05 4.20 5.68 -1.25 -4.98 116.55 114.92 3khk n ASP 472 Ca -0.11 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.20 3khk n ASP 472 Cb 0.45 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.81 3khk n ASP 472 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3khk h ARG 473 N 0.00 0.42 0.00 0.11 2.43 -2.03 -3.37 114.38 111.94 3khk h ARG 473 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3khk h ARG 473 Cb 0.00 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3khk h ARG 473 CO 0.00 0.41 -1.03 1.33 -1.51 0.00 0.00 179.97 179.18 3khk n VAL 474 N -4.35 0.03 -1.04 0.20 0.24 -1.26 -5.07 118.33 107.07 3khk n VAL 474 Ca 0.01 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 3khk n VAL 474 Cb 0.19 -0.59 0.13 0.00 -1.47 0.00 0.00 33.84 32.10 3khk n VAL 474 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3khk s LEU 475 N -4.88 3.03 0.10 1.34 1.43 -1.26 -4.84 118.68 113.60 3khk s LEU 475 Ca -0.01 2.16 0.06 0.00 -1.03 0.00 0.00 54.13 55.31 3khk s LEU 475 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 3khk s LEU 475 CO 0.01 -2.61 -0.16 -0.13 0.23 0.00 0.00 176.35 173.68 3khk s ARG 476 N -4.48 0.98 0.12 1.70 1.81 -0.91 -1.78 118.95 116.39 3khk s ARG 476 Ca 0.68 -1.11 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 3khk s ARG 476 Cb -0.23 -1.04 -0.04 0.00 -0.45 0.00 0.00 34.95 33.18 3khk s ARG 476 CO 0.54 0.23 0.04 0.34 -0.68 0.00 0.00 175.30 175.77 3khk s ASP 477 N -2.00 0.33 -0.11 0.23 2.15 -0.38 0.89 116.67 117.77 3khk s ASP 477 Ca 0.04 -1.17 -0.04 0.00 0.43 0.00 0.00 52.55 51.80 3khk s ASP 477 Cb -0.09 0.28 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 3khk s ASP 477 CO 0.03 -0.71 0.06 -0.36 -0.17 0.00 0.00 175.17 174.02 3khk s PHE 478 N -4.03 3.32 0.38 -5.34 0.08 -1.26 -0.96 117.98 110.18 3khk s PHE 478 Ca 0.21 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.55 3khk s PHE 478 Cb 0.07 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 3khk s PHE 478 CO -0.00 0.50 0.58 0.15 -0.10 0.00 0.00 175.22 176.36 3khk s LYS 479 N -0.72 3.32 0.19 0.44 1.02 -1.26 -4.83 119.74 117.90 3khk s LYS 479 Ca 0.12 -0.43 0.12 0.00 0.02 0.00 0.00 55.97 55.80 3khk s LYS 479 Cb -0.12 -2.64 0.63 0.00 -0.52 0.00 0.00 37.83 35.19 3khk s LYS 479 CO 0.02 0.00 1.33 -0.25 -0.92 0.00 0.00 175.35 175.53 3khk n ASP 480 N -1.88 0.30 -0.09 2.83 8.00 -1.26 -0.23 116.55 124.23 3khk n ASP 480 Ca -0.02 0.61 -0.12 0.00 0.71 0.00 0.00 54.79 55.97 3khk n ASP 480 Cb 0.57 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 3khk n ASP 480 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3khk h GLU 481 N 0.00 0.56 0.88 -1.24 4.81 -1.97 0.85 114.58 118.46 3khk h GLU 481 Ca 0.00 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 3khk h GLU 481 Cb 0.10 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.48 3khk h GLU 481 CO 0.00 0.80 -0.42 -0.44 -0.73 0.00 0.00 179.01 178.22 3khk h ASP 482 N 0.29 -1.00 -0.89 1.04 3.32 -0.98 -1.06 116.42 117.14 3khk h ASP 482 Ca 0.06 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.23 3khk h ASP 482 Cb 0.63 0.26 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 3khk h ASP 482 CO 0.04 -0.64 -0.51 -0.38 -1.72 0.00 0.00 179.24 176.03 3khk n ILE 483 N -5.54 -0.59 -0.05 0.35 5.41 -1.09 -1.94 119.36 115.91 3khk n ILE 483 Ca -0.15 2.14 -0.09 0.00 1.00 0.00 0.00 62.75 65.65 3khk n ILE 483 Cb 0.46 -2.66 -0.02 0.00 -0.71 0.00 0.00 39.64 36.72 3khk n ILE 483 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3khk h GLN 484 N 0.00 -0.28 -0.76 0.38 5.75 0.91 0.37 115.11 121.48 3khk h GLN 484 Ca 0.15 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.76 3khk h GLN 484 Cb 0.38 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 28.88 3khk h GLN 484 CO -0.84 -0.19 -0.54 -0.22 -2.65 0.00 0.00 178.83 174.40 3khk h LYS 485 N -0.29 -0.15 -0.38 1.69 3.64 -0.51 0.66 116.57 121.23 3khk h LYS 485 Ca 0.14 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 3khk h LYS 485 Cb 0.51 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3khk h LYS 485 CO -0.42 -0.10 -0.08 -0.07 -2.27 0.00 0.00 179.45 176.52 3khk h LEU 486 N -0.15 0.72 -0.21 5.20 3.38 -0.46 1.11 115.31 124.90 3khk h LEU 486 Ca 0.15 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3khk h LEU 486 Cb 0.51 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3khk h LEU 486 CO -0.81 0.91 -0.48 0.00 0.09 0.00 0.00 178.44 178.15 3khk h ALA 487 N 0.84 -0.70 -0.33 1.53 0.00 0.05 -2.71 119.26 117.95 3khk h ALA 487 Ca 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3khk h ALA 487 Cb 0.58 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3khk h ALA 487 CO 0.03 -0.99 -0.26 -0.44 0.00 0.00 0.00 179.25 177.59 3khk h ASP 488 N -0.49 0.80 0.00 0.00 5.19 0.16 -2.80 116.42 119.27 3khk h ASP 488 Ca 0.07 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3khk h ASP 488 Cb 0.64 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3khk h ASP 488 CO -0.47 1.08 0.00 0.41 -3.12 0.00 0.00 179.24 177.15 3khk n THR 489 N -4.24 0.00 0.11 0.35 -1.04 0.37 -2.80 114.28 107.03 3khk n THR 489 Ca -0.03 1.47 0.10 0.00 -2.04 0.00 0.00 64.05 63.55 3khk n THR 489 Cb 0.46 -2.11 0.58 0.00 -1.82 0.00 0.00 70.33 67.45 3khk n THR 489 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3khk h PHE 490 N 0.00 0.17 -0.39 -1.42 3.57 -1.40 -0.49 116.94 116.99 3khk h PHE 490 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 3khk h PHE 490 Cb 0.00 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3khk h PHE 490 CO -0.57 0.10 -0.19 0.45 -2.23 0.00 0.00 178.31 175.87 3khk h HIS 491 N 0.18 0.93 -0.75 0.41 3.86 -1.46 -3.00 115.15 115.32 3khk h HIS 491 Ca 0.12 -0.23 0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3khk h HIS 491 Cb 0.25 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 3khk h HIS 491 CO -0.00 0.98 0.48 -0.91 0.86 0.00 0.00 177.93 179.34 3khk h ASN 492 N 0.61 0.80 -0.24 2.45 2.35 -0.91 0.07 115.58 120.70 3khk h ASN 492 Ca 0.09 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.90 3khk h ASN 492 Cb 0.74 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3khk h ASN 492 CO 0.06 0.56 0.18 -0.25 -1.65 0.00 0.00 177.43 176.33 3khk h TRP 493 N 0.95 0.00 0.00 1.19 7.01 -1.39 1.39 115.95 125.09 3khk h TRP 493 Ca 0.29 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.23 3khk h TRP 493 Cb -0.01 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 3khk h TRP 493 CO -0.03 0.00 -0.29 1.96 -2.79 0.00 0.00 178.44 177.28 3khk h GLN 494 N 0.00 0.00 0.00 2.65 4.20 -0.86 -3.37 115.11 117.73 3khk h GLN 494 Ca 0.11 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3khk h GLN 494 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3khk h GLN 494 CO -0.00 0.29 -1.71 1.04 -0.67 0.00 0.00 178.83 177.78 3khk n GLN 495 N -3.40 0.71 0.00 1.46 6.02 0.42 -1.05 117.38 121.54 3khk n GLN 495 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3khk n GLN 495 Cb 0.49 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.41 3khk n GLN 495 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3khk n GLU 496 N -2.10 0.00 -3.69 -1.09 1.02 0.18 -4.74 120.64 110.22 3khk n GLU 496 Ca -0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 3khk n GLU 496 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.81 3khk n GLU 496 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 3khk s TRP 497 N 0.00 -0.66 0.14 -0.32 -0.11 -1.26 -4.35 118.94 112.38 3khk s TRP 497 Ca 0.00 1.42 -0.04 0.00 1.22 0.00 0.00 56.10 58.70 3khk s TRP 497 Cb 0.00 0.31 -0.03 0.00 -1.50 0.00 0.00 33.47 32.25 3khk s TRP 497 CO 0.00 -0.35 0.13 0.45 -4.62 0.00 0.00 176.95 172.56 3khk s SER 498 N 1.21 0.22 0.64 5.86 0.15 -1.26 -5.04 113.70 115.48 3khk s SER 498 Ca -0.08 -1.09 0.20 0.00 0.70 0.00 0.00 55.95 55.68 3khk s SER 498 Cb -0.07 0.34 1.08 0.00 -1.71 0.00 0.00 66.02 65.66 3khk s SER 498 CO -0.11 -0.78 1.59 1.05 1.20 0.00 0.00 173.24 176.19 3khk h GLU 499 N 2.77 0.00 -0.49 5.44 9.09 -1.99 0.19 114.58 129.59 3khk h GLU 499 Ca -0.34 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.97 3khk h GLU 499 Cb 1.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 3khk h GLU 499 CO 0.56 0.00 -0.09 1.05 0.05 0.00 0.00 179.01 180.58 3khk h GLU 500 N 0.00 0.89 0.00 1.06 -0.00 -2.03 -3.18 114.58 111.32 3khk h GLU 500 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 3khk h GLU 500 Cb 1.06 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.74 3khk h GLU 500 CO 0.00 0.94 0.00 -0.91 -0.00 0.00 0.00 179.01 179.04 3khk h ASN 501 N 0.81 0.00 -2.67 3.06 4.21 -1.02 -3.44 115.58 116.52 3khk h ASN 501 Ca 0.14 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 57.08 3khk h ASN 501 Cb 0.60 0.00 0.20 0.00 -1.12 0.00 0.00 38.32 38.00 3khk h ASN 501 CO 0.04 0.00 -0.89 0.59 -1.29 0.00 0.00 177.43 175.88 3khk n ASN 502 N -2.83 -2.84 -3.40 5.81 3.02 -1.20 -4.98 115.26 108.85 3khk n ASN 502 Ca 0.03 0.51 -0.18 0.00 -0.03 0.00 0.00 54.58 54.90 3khk n ASN 502 Cb 0.39 -1.03 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 3khk n ASN 502 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3khk s GLN 503 N -2.21 0.44 0.17 3.52 0.74 -0.87 -4.99 119.66 116.47 3khk s GLN 503 Ca 0.58 -0.48 -0.33 0.00 0.05 0.00 0.00 55.36 55.18 3khk s GLN 503 Cb -0.35 -0.75 -0.16 0.00 1.10 0.00 0.00 33.01 32.86 3khk s GLN 503 CO 0.66 -1.10 1.14 0.00 -0.55 0.00 0.00 175.29 175.44 3khk n ALA 504 N 4.87 -0.90 0.00 1.58 0.00 -1.26 -0.70 120.51 124.10 3khk n ALA 504 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3khk n ALA 504 Cb 0.45 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3khk n ALA 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khk n GLY 505 N 1.97 2.77 1.30 0.00 0.00 -1.26 -4.77 105.19 105.19 3khk n GLY 505 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3khk n GLY 505 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3khk n PHE 506 N -2.00 -0.25 -3.93 1.61 7.35 0.12 -4.66 117.46 115.70 3khk n PHE 506 Ca 0.00 0.04 -0.09 0.00 -0.76 0.00 0.00 57.45 56.64 3khk n PHE 506 Cb 0.00 0.15 -0.09 0.00 0.35 0.00 0.00 39.48 39.89 3khk n PHE 506 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3khk s PHE 508 N -2.86 -0.71 -0.32 0.00 5.36 -0.12 -2.04 117.98 117.30 3khk s PHE 508 Ca -0.03 1.43 -0.07 0.00 -0.96 0.00 0.00 56.93 57.30 3khk s PHE 508 Cb 0.00 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.06 3khk s PHE 508 CO -0.06 -0.52 0.09 0.45 -1.46 0.00 0.00 175.22 173.72 3khk s SER 509 N -0.61 5.21 0.21 6.13 0.15 -1.26 -1.43 113.70 122.10 3khk s SER 509 Ca -0.07 -0.91 0.07 0.00 0.70 0.00 0.00 55.95 55.74 3khk s SER 509 Cb -0.02 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 3khk s SER 509 CO 0.07 -0.26 0.12 0.00 1.20 0.00 0.00 173.24 174.37 3khk s ALA 510 N 1.46 3.48 0.50 5.45 0.00 -0.61 -4.93 121.76 127.10 3khk s ALA 510 Ca 0.01 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.63 3khk s ALA 510 Cb -0.18 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3khk s ALA 510 CO 0.03 0.37 0.13 0.16 0.00 0.00 0.00 175.76 176.45 3khk s ASP 511 N -3.43 4.28 0.50 0.00 3.84 -1.26 -0.24 116.67 120.36 3khk s ASP 511 Ca 0.31 -1.47 0.33 0.00 -0.00 0.00 0.00 52.55 51.73 3khk s ASP 511 Cb -0.09 0.34 1.46 0.00 -1.38 0.00 0.00 42.92 43.25 3khk s ASP 511 CO 0.23 -0.87 1.74 0.25 -0.00 0.00 0.00 175.17 176.52 3khk h LEU 512 N 1.21 0.14 0.23 2.11 5.85 -1.66 -2.94 115.31 120.26 3khk h LEU 512 Ca -0.42 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3khk h LEU 512 Cb 1.30 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3khk h LEU 512 CO 0.69 -0.01 -0.11 0.00 -0.34 0.00 0.00 178.44 178.67 3khk h ALA 513 N 1.43 -0.31 -0.09 1.25 0.00 -1.95 -2.82 119.26 116.77 3khk h ALA 513 Ca 0.66 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 3khk h ALA 513 Cb 2.35 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 3khk h ALA 513 CO -0.14 -0.48 -0.32 1.25 0.00 0.00 0.00 179.25 179.56 3khk h LEU 514 N -0.70 0.18 -0.74 0.00 5.85 -1.93 -2.35 115.31 115.61 3khk h LEU 514 Ca -0.03 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 3khk h LEU 514 Cb 0.48 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3khk h LEU 514 CO 0.05 0.50 -0.61 0.40 -0.34 0.00 0.00 178.44 178.44 3khk h ILE 515 N 0.15 1.40 0.00 4.05 2.04 -1.61 -0.81 117.51 122.74 3khk h ILE 515 Ca 0.02 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 3khk h ILE 515 Cb 0.66 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3khk h ILE 515 CO 0.05 0.60 -0.03 -0.09 0.00 0.00 0.00 178.15 178.68 3khk h ARG 516 N 0.00 0.00 0.09 2.37 2.43 -1.15 0.22 114.38 118.34 3khk h ARG 516 Ca -0.01 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.86 3khk h ARG 516 Cb 1.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3khk h ARG 516 CO 0.08 0.03 -1.54 -0.22 -1.51 0.00 0.00 179.97 176.80 3khk h LYS 517 N 0.00 0.19 -0.42 0.20 3.64 -1.25 -3.22 116.57 115.72 3khk h LYS 517 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3khk h LYS 517 Cb 0.49 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3khk h LYS 517 CO 0.00 1.02 0.00 0.09 -2.27 0.00 0.00 179.45 178.29 3khk n ASN 518 N -3.39 1.27 -3.92 4.20 3.02 -0.36 -4.91 115.26 111.18 3khk n ASN 518 Ca -0.16 -2.07 -0.26 0.00 -0.03 0.00 0.00 54.58 52.06 3khk n ASN 518 Cb 1.04 -0.26 -0.00 0.00 -0.61 0.00 0.00 39.78 39.95 3khk n ASN 518 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3khk n ASP 519 N 0.03 -1.33 -1.25 6.41 2.03 -0.35 -2.02 116.55 120.07 3khk n ASP 519 Ca 0.06 -0.94 -0.14 0.00 0.52 0.00 0.00 54.79 54.29 3khk n ASP 519 Cb 0.25 -3.35 -0.06 0.00 -0.72 0.00 0.00 41.12 37.24 3khk n ASP 519 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3khk n PHE 520 N -4.40 -0.17 -2.56 -0.67 3.72 0.63 -4.93 117.46 109.09 3khk n PHE 520 Ca -0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.75 3khk n PHE 520 Cb 0.64 -2.79 -0.02 0.00 -0.94 0.00 0.00 39.48 36.37 3khk n PHE 520 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3khk s VAL 521 N -2.17 4.50 -0.34 -4.37 1.01 -0.86 -4.75 120.40 113.43 3khk s VAL 521 Ca 0.00 1.80 0.15 0.00 0.00 0.00 0.00 61.98 63.93 3khk s VAL 521 Cb 0.00 -4.16 0.70 0.00 0.00 0.00 0.00 36.38 32.92 3khk s VAL 521 CO 0.00 -0.05 1.61 0.18 0.00 0.00 0.00 175.10 176.84 3khk n LEU 522 N 5.54 4.93 -4.67 3.92 4.77 -0.68 -4.93 117.00 125.88 3khk n LEU 522 Ca 0.11 -2.88 -0.43 0.00 -0.03 0.00 0.00 56.01 52.78 3khk n LEU 522 Cb 0.47 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 3khk n LEU 522 CO 0.54 0.67 1.07 0.42 -1.33 0.00 0.00 177.39 178.76 3khk s THR 523 N -2.64 4.20 0.53 -5.08 -4.23 -1.26 -4.91 115.64 102.26 3khk s THR 523 Ca 0.49 1.48 0.23 0.00 -1.18 0.00 0.00 61.69 62.72 3khk s THR 523 Cb 0.37 -3.95 0.36 0.00 1.34 0.00 0.00 72.50 70.62 3khk s THR 523 CO 0.15 -0.09 2.04 -0.65 -0.54 0.00 0.00 174.62 175.52 3khk h PRO 524 N 8.09 0.00 -0.90 3.99 0.11 -1.91 -2.10 132.00 139.29 3khk h PRO 524 Ca -0.30 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.96 3khk h PRO 524 Cb 1.12 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 3khk h PRO 524 CO 0.95 0.00 0.50 0.78 -0.21 0.00 0.00 178.00 180.02 3khk h GLY 525 N 0.00 1.49 -0.54 -0.55 0.00 -1.91 0.19 103.07 101.75 3khk h GLY 525 Ca 0.18 -0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.31 3khk h GLY 525 CO -0.00 0.01 -0.36 3.21 0.00 0.00 0.00 176.54 179.40 3khk h ARG 526 N 0.73 -0.13 -1.31 4.80 2.47 -1.78 -3.26 114.38 115.89 3khk h ARG 526 Ca 0.48 0.01 -0.39 0.00 -1.26 0.00 0.00 59.98 58.82 3khk h ARG 526 Cb 0.64 0.03 -0.18 0.00 -1.65 0.00 0.00 29.97 28.81 3khk h ARG 526 CO -0.34 -0.09 0.51 0.66 0.56 0.00 0.00 179.97 181.27 3khk n TYR 527 N -5.44 1.95 0.00 3.04 4.01 0.67 -4.91 117.16 116.48 3khk n TYR 527 Ca 0.05 -2.04 0.00 0.00 -0.16 0.00 0.00 57.90 55.75 3khk n TYR 527 Cb 0.36 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 3khk n TYR 527 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3khk n VAL 528 N -0.09 0.00 0.00 -0.72 3.14 -1.23 -4.59 118.33 114.85 3khk n VAL 528 Ca 0.38 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 3khk n VAL 528 Cb 0.73 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 3khk n VAL 528 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98