#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itk n MET 1 N 0.00 -1.11 -2.66 1.43 0.00 -1.26 -4.99 117.12 108.54 3itk n MET 1 Ca 0.00 0.41 -0.41 0.00 -0.00 0.00 0.00 57.70 57.70 3itk n MET 1 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 33.22 29.62 3itk n MET 1 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 3itk s PHE 2 N -3.18 3.71 -0.16 1.12 5.36 -1.26 -5.01 117.98 118.56 3itk s PHE 2 Ca 0.21 1.70 0.02 0.00 -0.96 0.00 0.00 56.93 57.90 3itk s PHE 2 Cb -0.03 -3.14 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 3itk s PHE 2 CO 0.35 -0.13 -0.20 -2.00 -1.46 0.00 0.00 175.22 171.78 3itk s GLU 3 N 0.22 2.89 -0.14 10.12 2.12 -1.26 -4.75 118.70 127.89 3itk s GLU 3 Ca 0.49 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.73 3itk s GLU 3 Cb -0.25 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 3itk s GLU 3 CO 0.30 -0.12 1.18 0.42 -0.54 0.00 0.00 175.26 176.50 3itk s ILE 4 N 1.08 4.40 -0.01 -3.70 1.01 -1.26 -4.87 121.20 117.85 3itk s ILE 4 Ca -0.01 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.36 3itk s ILE 4 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3itk s ILE 4 CO -0.07 -0.10 0.03 0.29 0.00 0.00 0.00 174.94 175.09 3itk n LYS 5 N 6.05 1.82 -4.47 2.79 5.02 -1.26 -4.87 118.16 123.24 3itk n LYS 5 Ca 0.12 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 3itk n LYS 5 Cb 0.46 -1.07 -0.16 0.00 -0.02 0.00 0.00 35.03 34.24 3itk n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3itk s LYS 6 N -2.13 1.38 -0.04 1.97 1.02 -1.26 -0.89 119.74 119.79 3itk s LYS 6 Ca -0.01 -0.33 0.07 0.00 0.02 0.00 0.00 55.97 55.72 3itk s LYS 6 Cb 0.01 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 36.11 3itk s LYS 6 CO 0.11 0.02 -0.24 0.42 -0.92 0.00 0.00 175.35 174.74 3itk s ILE 7 N 0.63 1.96 -0.06 2.17 1.01 0.21 -1.15 121.20 125.97 3itk s ILE 7 Ca -0.12 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.55 3itk s ILE 7 Cb -0.14 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3itk s ILE 7 CO 0.02 0.55 -0.22 0.00 0.00 0.00 0.00 174.94 175.30 3itk s ILE 10 N 1.23 4.45 0.00 0.00 1.01 -0.01 -0.82 121.20 127.06 3itk s ILE 10 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.35 3itk s ILE 10 Cb -0.18 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3itk s ILE 10 CO -0.07 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.61 3itk n GLY 11 N 4.94 2.85 1.95 6.18 0.00 0.11 -0.08 105.19 121.15 3itk n GLY 11 Ca 0.06 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 3itk n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk n ALA 12 N 0.00 5.35 -1.56 4.61 0.00 -1.25 -4.28 120.51 123.39 3itk n ALA 12 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.94 3itk n ALA 12 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3itk n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itk n GLY 13 N -0.90 1.32 0.20 0.00 0.00 -1.26 -4.60 105.19 99.95 3itk n GLY 13 Ca 0.49 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 3itk n GLY 13 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itk h TYR 14 N 0.00 0.38 0.00 1.61 3.20 -1.94 -1.75 116.97 118.47 3itk h TYR 14 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3itk h TYR 14 Cb 0.00 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3itk h TYR 14 CO 0.00 0.70 -0.08 0.28 -1.64 0.00 0.00 178.16 177.41 3itk h VAL 15 N 0.27 0.00 -0.82 1.81 2.07 -1.93 -3.37 116.25 114.27 3itk h VAL 15 Ca 0.02 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3itk h VAL 15 Cb 0.86 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3itk h VAL 15 CO 0.07 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.42 3itk h GLY 16 N -0.79 1.17 0.97 2.17 0.00 -1.75 -2.42 103.07 102.42 3itk h GLY 16 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3itk h GLY 16 CO 0.00 0.37 -0.47 -1.33 0.00 0.00 0.00 176.54 175.11 3itk h GLY 17 N 1.06 -1.37 0.93 4.60 0.00 -1.50 -1.57 103.07 105.22 3itk h GLY 17 Ca 0.32 0.51 -0.03 0.00 0.00 0.00 0.00 47.33 48.13 3itk h GLY 17 CO -0.09 -0.50 0.12 -2.55 0.00 0.00 0.00 176.54 173.52 3itk h PRO 18 N -1.31 0.58 -0.07 4.80 0.11 -1.72 -0.87 132.00 133.52 3itk h PRO 18 Ca -0.13 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 65.88 3itk h PRO 18 Cb 1.01 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3itk h PRO 18 CO 0.21 0.59 -0.10 1.15 -0.21 0.00 0.00 178.00 179.64 3itk h THR 19 N 0.45 0.72 -0.15 -1.15 2.02 -1.47 -1.59 112.91 111.74 3itk h THR 19 Ca 0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 3itk h THR 19 Cb 0.25 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3itk h THR 19 CO -0.00 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 3itk h SER 21 N 0.26 0.59 -0.42 0.00 0.02 -0.85 -0.83 113.55 112.32 3itk h SER 21 Ca 0.04 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 3itk h SER 21 Cb 0.66 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3itk h SER 21 CO 0.05 0.51 -0.18 0.58 -1.14 0.00 0.00 176.83 176.65 3itk h VAL 22 N 0.62 1.28 -0.43 2.27 2.07 -0.80 -1.51 116.25 119.76 3itk h VAL 22 Ca 0.17 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.43 3itk h VAL 22 Cb 0.05 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3itk h VAL 22 CO -0.03 0.45 0.11 0.40 0.02 0.00 0.00 177.57 178.52 3itk h ILE 23 N 0.68 0.81 -0.44 4.57 2.04 -0.92 -0.88 117.51 123.38 3itk h ILE 23 Ca 0.10 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3itk h ILE 23 Cb 0.74 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3itk h ILE 23 CO 0.06 0.05 0.24 0.00 0.00 0.00 0.00 178.15 178.50 3itk h ALA 24 N 1.30 0.56 -0.98 1.87 0.00 -1.01 0.17 119.26 121.17 3itk h ALA 24 Ca 0.20 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3itk h ALA 24 Cb 0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3itk h ALA 24 CO -0.24 0.08 0.63 1.25 0.00 0.00 0.00 179.25 180.96 3itk h HIS 25 N 0.57 1.13 0.00 0.00 -0.00 -0.81 -3.02 115.15 113.02 3itk h HIS 25 Ca 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 3itk h HIS 25 Cb 0.04 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3itk h HIS 25 CO -0.02 0.51 -1.01 -1.33 -0.00 0.00 0.00 177.93 176.08 3itk n MET 26 N -4.56 0.39 -3.60 5.26 2.81 -0.38 -4.56 117.12 112.49 3itk n MET 26 Ca 0.17 0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.82 3itk n MET 26 Cb 0.28 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 3itk n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3itk h PRO 28 N 5.02 0.00 -0.01 0.00 0.11 -1.80 -1.69 132.00 133.63 3itk h PRO 28 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3itk h PRO 28 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3itk h PRO 28 CO 0.63 0.00 -0.15 -0.85 -0.21 0.00 0.00 178.00 177.42 3itk n GLU 29 N -3.54 0.90 -4.19 1.05 0.00 -1.26 -4.82 120.64 108.78 3itk n GLU 29 Ca -0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 57.16 56.36 3itk n GLU 29 Cb 0.18 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.03 3itk n GLU 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3itk s ILE 30 N -2.40 4.43 -0.14 3.84 1.01 -0.64 -4.91 121.20 122.39 3itk s ILE 30 Ca 0.29 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 3itk s ILE 30 Cb 0.20 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3itk s ILE 30 CO 0.47 0.49 0.66 -0.60 0.00 0.00 0.00 174.94 175.97 3itk s ARG 31 N 0.18 4.32 -0.20 2.79 3.52 -0.07 -4.83 118.95 124.65 3itk s ARG 31 Ca 0.02 0.74 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 3itk s ARG 31 Cb -0.13 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3itk s ARG 31 CO 0.01 -0.10 -0.16 0.08 -0.81 0.00 0.00 175.30 174.32 3itk s VAL 32 N 1.41 2.21 -0.25 7.11 1.01 0.59 -0.62 120.40 131.87 3itk s VAL 32 Ca 0.33 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3itk s VAL 32 Cb -0.16 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3itk s VAL 32 CO 0.13 0.39 -0.10 -0.89 0.00 0.00 0.00 175.10 174.63 3itk s THR 33 N 1.26 2.40 -0.24 3.92 2.01 -0.16 -1.01 115.64 123.82 3itk s THR 33 Ca 0.02 -1.34 -0.15 0.00 0.31 0.00 0.00 61.69 60.52 3itk s THR 33 Cb -0.15 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3itk s THR 33 CO -0.10 0.12 0.38 -0.69 -0.69 0.00 0.00 174.62 173.63 3itk s VAL 34 N 1.20 5.19 0.16 3.82 1.01 0.86 -1.55 120.40 131.09 3itk s VAL 34 Ca -0.04 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.66 3itk s VAL 34 Cb -0.18 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3itk s VAL 34 CO -0.06 0.20 -0.24 0.68 0.00 0.00 0.00 175.10 175.68 3itk s VAL 35 N 1.77 2.15 -0.10 2.92 -7.23 0.00 -1.77 120.40 118.14 3itk s VAL 35 Ca 0.16 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 3itk s VAL 35 Cb -0.15 -1.96 0.07 0.00 0.56 0.00 0.00 36.38 34.89 3itk s VAL 35 CO 0.09 -0.08 0.66 -0.62 -0.31 0.00 0.00 175.10 174.85 3itk s ASP 36 N -2.37 -0.65 0.35 4.85 -1.08 -1.12 -0.71 116.67 115.94 3itk s ASP 36 Ca 0.16 0.85 0.15 0.00 -0.52 0.00 0.00 52.55 53.19 3itk s ASP 36 Cb -0.09 0.74 0.61 0.00 -1.46 0.00 0.00 42.92 42.72 3itk s ASP 36 CO 0.07 -0.51 1.73 1.62 0.52 0.00 0.00 175.17 178.60 3itk h VAL 37 N 3.29 1.14 -0.94 1.11 3.04 -1.90 -3.38 116.25 118.61 3itk h VAL 37 Ca -0.28 -1.64 -0.41 0.00 -1.01 0.00 0.00 66.70 63.37 3itk h VAL 37 Cb 1.15 1.93 -0.07 0.00 -2.01 0.00 0.00 31.29 32.29 3itk h VAL 37 CO 0.31 0.44 1.02 0.21 -1.01 0.00 0.00 177.57 178.54 3itk s ASN 38 N -6.66 5.61 0.30 3.17 3.84 -1.26 -4.85 114.94 115.09 3itk s ASN 38 Ca -0.01 -0.87 0.01 0.00 0.21 0.00 0.00 52.86 52.20 3itk s ASN 38 Cb 0.12 -2.56 0.55 0.00 -0.55 0.00 0.00 41.25 38.82 3itk s ASN 38 CO 0.72 -2.31 1.90 -0.08 -2.79 0.00 0.00 177.10 174.54 3itk h GLU 39 N 10.96 0.97 -0.89 0.43 4.81 -1.99 -1.18 114.58 127.68 3itk h GLU 39 Ca 0.10 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3itk h GLU 39 Cb 1.02 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 3itk h GLU 39 CO 1.28 0.64 0.59 1.03 -0.73 0.00 0.00 179.01 181.82 3itk h SER 40 N 1.00 1.01 -0.15 1.04 0.87 -1.98 -0.54 113.55 114.79 3itk h SER 40 Ca 0.40 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.79 3itk h SER 40 Cb 0.26 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3itk h SER 40 CO -0.16 0.72 -0.50 -0.09 -0.53 0.00 0.00 176.83 176.27 3itk h ARG 41 N 1.18 0.61 -0.45 2.24 2.43 -1.65 -2.36 114.38 116.37 3itk h ARG 41 Ca 0.34 -0.45 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3itk h ARG 41 Cb -0.10 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3itk h ARG 41 CO -0.08 1.07 0.20 0.82 -1.51 0.00 0.00 179.97 180.47 3itk h ILE 42 N 0.26 0.91 -0.98 1.20 1.08 -1.22 -1.45 117.51 117.32 3itk h ILE 42 Ca -0.02 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.38 3itk h ILE 42 Cb 1.13 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 3itk h ILE 42 CO 0.11 0.07 0.63 0.78 -0.69 0.00 0.00 178.15 179.05 3itk h ASN 43 N 0.40 1.01 -0.53 1.72 2.35 -1.02 -1.33 115.58 118.18 3itk h ASN 43 Ca 0.21 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3itk h ASN 43 Cb 0.16 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3itk h ASN 43 CO -0.18 0.65 0.21 0.00 -1.65 0.00 0.00 177.43 176.47 3itk h ALA 44 N 1.44 0.69 -0.06 -0.83 0.00 -0.96 -1.80 119.26 117.75 3itk h ALA 44 Ca 0.42 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3itk h ALA 44 Cb 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3itk h ALA 44 CO -0.17 0.30 0.04 -1.49 0.00 0.00 0.00 179.25 177.94 3itk h TRP 45 N 0.72 0.00 -0.01 0.00 4.06 -0.21 0.14 115.95 120.66 3itk h TRP 45 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 3itk h TRP 45 Cb 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3itk h TRP 45 CO 0.01 0.00 -0.01 0.09 -3.56 0.00 0.00 178.44 174.97 3itk n ASN 46 N -4.52 0.94 -4.94 -3.49 3.02 -0.69 -4.94 115.26 100.64 3itk n ASN 46 Ca -0.02 -1.27 -0.20 0.00 -0.03 0.00 0.00 54.58 53.06 3itk n ASN 46 Cb 0.14 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.38 3itk n ASN 46 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3itk s SER 47 N -2.04 4.99 0.00 6.41 1.04 0.50 -5.01 113.70 119.59 3itk s SER 47 Ca 0.40 -0.64 0.31 0.00 0.48 0.00 0.00 55.95 56.50 3itk s SER 47 Cb 0.21 0.06 1.60 0.00 0.10 0.00 0.00 66.02 67.99 3itk s SER 47 CO 0.36 -1.39 2.09 -0.81 0.98 0.00 0.00 173.24 174.46 3itk n PRO 48 N -2.35 0.59 -3.99 4.02 -0.04 -1.26 -4.50 135.00 127.48 3itk n PRO 48 Ca 0.14 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 3itk n PRO 48 Cb 0.61 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 3itk n PRO 48 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3itk s THR 49 N -2.42 2.40 0.59 0.52 2.01 -1.26 -5.10 115.64 112.38 3itk s THR 49 Ca 0.34 -2.71 -0.19 0.00 0.31 0.00 0.00 61.69 59.44 3itk s THR 49 Cb 0.21 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3itk s THR 49 CO 0.44 -0.68 1.19 -0.76 -0.69 0.00 0.00 174.62 174.13 3itk s LEU 50 N 0.45 3.65 0.35 4.42 1.43 -1.26 -4.70 118.68 123.02 3itk s LEU 50 Ca 0.13 2.35 0.27 0.00 -1.03 0.00 0.00 54.13 55.85 3itk s LEU 50 Cb -0.22 -4.59 0.94 0.00 0.03 0.00 0.00 46.19 42.35 3itk s LEU 50 CO -0.05 -1.57 1.78 1.55 0.23 0.00 0.00 176.35 178.29 3itk h PRO 51 N 0.85 0.00 -5.44 1.29 0.13 -1.89 -3.42 132.00 123.53 3itk h PRO 51 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 3itk h PRO 51 Cb 1.29 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.13 3itk h PRO 51 CO 0.55 0.00 -0.81 0.42 -0.23 0.00 0.00 178.00 177.93 3itk s ILE 52 N -3.33 2.66 -0.27 -3.56 -1.09 -1.26 -5.11 121.20 109.24 3itk s ILE 52 Ca 0.05 -0.81 -0.15 0.00 -2.23 0.00 0.00 60.65 57.51 3itk s ILE 52 Cb 0.09 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 3itk s ILE 52 CO 0.52 0.54 0.38 -0.47 -1.23 0.00 0.00 174.94 174.69 3itk s TYR 53 N 0.24 3.25 -0.05 3.97 5.04 -1.26 -4.98 117.35 123.55 3itk s TYR 53 Ca -0.12 0.42 -0.02 0.00 -2.44 0.00 0.00 57.07 54.91 3itk s TYR 53 Cb -0.16 -2.59 0.04 0.00 0.35 0.00 0.00 41.96 39.60 3itk s TYR 53 CO 0.06 -0.24 0.11 -1.21 -1.34 0.00 0.00 175.55 172.93 3itk s GLU 54 N 2.09 0.04 0.16 4.97 0.41 -1.26 -4.75 118.70 120.36 3itk s GLU 54 Ca 0.15 0.32 -0.34 0.00 -0.41 0.00 0.00 54.97 54.69 3itk s GLU 54 Cb -0.16 -0.21 -0.14 0.00 -1.78 0.00 0.00 34.13 31.83 3itk s GLU 54 CO 0.10 -0.18 1.48 -2.30 -0.49 0.00 0.00 175.26 173.87 3itk n PRO 55 N 4.27 1.87 0.00 0.39 -0.02 -1.26 -1.55 135.00 138.70 3itk n PRO 55 Ca -0.26 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3itk n PRO 55 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3itk n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itk n GLY 56 N 2.93 2.62 0.14 -1.23 0.00 -1.26 -4.48 105.19 103.91 3itk n GLY 56 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3itk n GLY 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3itk h LEU 57 N 0.00 0.41 -0.32 0.99 5.85 -1.70 -2.61 115.31 117.94 3itk h LEU 57 Ca 0.00 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.37 3itk h LEU 57 Cb 0.00 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 3itk h LEU 57 CO 0.00 0.74 -0.17 0.50 -0.34 0.00 0.00 178.44 179.17 3itk h LYS 58 N 0.08 -0.12 -0.35 1.25 3.64 -1.91 0.12 116.57 119.28 3itk h LYS 58 Ca 0.04 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3itk h LYS 58 Cb 0.59 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3itk h LYS 58 CO 0.03 -0.08 0.15 0.93 -2.27 0.00 0.00 179.45 178.21 3itk h GLU 59 N -0.13 0.31 0.10 1.90 3.07 -1.94 0.24 114.58 118.14 3itk h GLU 59 Ca 0.16 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3itk h GLU 59 Cb 0.38 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3itk h GLU 59 CO -0.40 0.20 -0.13 0.28 -1.40 0.00 0.00 179.01 177.57 3itk h VAL 60 N 0.32 0.71 -0.37 3.13 2.07 -1.03 -1.56 116.25 119.53 3itk h VAL 60 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3itk h VAL 60 Cb 0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3itk h VAL 60 CO -0.13 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.22 3itk h VAL 61 N -0.27 1.17 0.00 2.57 2.07 -0.38 -2.58 116.25 118.83 3itk h VAL 61 Ca 0.01 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3itk h VAL 61 Cb 0.27 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3itk h VAL 61 CO -0.05 0.18 -0.17 -0.33 0.02 0.00 0.00 177.57 177.22 3itk h GLU 62 N 0.46 0.00 0.00 1.57 5.08 -0.44 0.13 114.58 121.38 3itk h GLU 62 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3itk h GLU 62 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3itk h GLU 62 CO -0.02 0.17 0.00 0.66 -1.00 0.00 0.00 179.01 178.83 3itk h SER 63 N 0.00 0.00 0.00 1.42 4.64 -0.86 -3.37 113.55 115.38 3itk h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3itk h SER 63 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3itk h SER 63 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3itk s ARG 65 N 0.00 4.15 0.00 0.00 3.52 0.43 -1.42 118.95 125.64 3itk s ARG 65 Ca 0.00 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 3itk s ARG 65 Cb 0.00 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3itk s ARG 65 CO 0.00 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.19 3itk n GLY 66 N 3.93 2.37 0.00 8.12 0.00 0.01 -4.86 105.19 114.76 3itk n GLY 66 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3itk n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itk n LYS 67 N -2.00 0.00 0.00 1.61 5.02 -0.51 -4.88 118.16 117.41 3itk n LYS 67 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3itk n LYS 67 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 3itk n LYS 67 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3itk n ASN 68 N -2.11 0.72 -4.46 4.39 6.94 -1.03 -5.03 115.26 114.68 3itk n ASN 68 Ca 0.00 -0.98 -0.33 0.00 -0.02 0.00 0.00 54.58 53.25 3itk n ASN 68 Cb 0.00 0.02 -0.13 0.00 -2.36 0.00 0.00 39.78 37.32 3itk n ASN 68 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3itk s LEU 69 N -0.05 3.10 0.01 -4.53 2.96 -0.93 -0.30 118.68 118.94 3itk s LEU 69 Ca 0.00 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3itk s LEU 69 Cb 0.00 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3itk s LEU 69 CO 0.00 0.17 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.83 3itk s PHE 70 N 0.33 0.13 -0.12 5.38 0.08 -0.18 -0.81 117.98 122.79 3itk s PHE 70 Ca -0.06 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.83 3itk s PHE 70 Cb -0.15 -0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 3itk s PHE 70 CO 0.04 -0.06 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.83 3itk s PHE 71 N -0.51 2.38 0.05 0.36 0.08 -1.26 -0.10 117.98 118.99 3itk s PHE 71 Ca -0.05 -1.12 -0.10 0.00 0.12 0.00 0.00 56.93 55.78 3itk s PHE 71 Cb -0.04 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3itk s PHE 71 CO -0.00 -0.51 0.22 0.45 -0.10 0.00 0.00 175.22 175.27 3itk s SER 72 N 0.74 0.02 0.00 1.36 0.15 -0.73 -4.94 113.70 110.30 3itk s SER 72 Ca -0.10 -0.41 0.26 0.00 0.70 0.00 0.00 55.95 56.40 3itk s SER 72 Cb -0.16 0.32 0.75 0.00 -1.71 0.00 0.00 66.02 65.22 3itk s SER 72 CO 0.01 -0.62 1.58 0.35 1.20 0.00 0.00 173.24 175.76 3itk n THR 73 N 0.46 0.03 -2.75 6.45 -2.24 -1.26 -2.78 114.28 112.18 3itk n THR 73 Ca -0.18 -0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 3itk n THR 73 Cb 0.60 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3itk n THR 73 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3itk n ASN 74 N 0.58 5.07 -0.02 3.42 2.85 -1.26 -4.77 115.26 121.13 3itk n ASN 74 Ca 0.17 -2.95 -0.12 0.00 -0.11 0.00 0.00 54.58 51.57 3itk n ASN 74 Cb 0.43 -1.64 -0.07 0.00 1.24 0.00 0.00 39.78 39.74 3itk n ASN 74 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3itk h ILE 75 N 4.98 1.18 -0.78 -1.44 2.04 -1.90 -2.88 117.51 118.71 3itk h ILE 75 Ca 0.38 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3itk h ILE 75 Cb 0.86 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3itk h ILE 75 CO 1.36 0.16 0.47 0.44 0.00 0.00 0.00 178.15 180.58 3itk h ASP 76 N -0.04 0.95 -0.35 1.72 3.32 -1.99 -1.40 116.42 118.62 3itk h ASP 76 Ca 0.03 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 3itk h ASP 76 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3itk h ASP 76 CO -0.00 0.73 -0.36 0.44 -1.72 0.00 0.00 179.24 178.33 3itk h ASP 77 N 1.08 0.95 -0.90 6.45 3.32 -1.97 -1.89 116.42 123.46 3itk h ASP 77 Ca 0.28 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3itk h ASP 77 Cb -0.03 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 3itk h ASP 77 CO -0.05 1.20 0.60 0.00 -1.72 0.00 0.00 179.24 179.27 3itk h ALA 78 N 0.84 1.16 -0.10 3.45 0.00 -1.21 -2.67 119.26 120.73 3itk h ALA 78 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3itk h ALA 78 Cb 0.94 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3itk h ALA 78 CO 0.09 0.52 0.01 0.82 0.00 0.00 0.00 179.25 180.69 3itk h ILE 79 N 1.20 1.22 -0.38 0.00 2.04 -1.05 -2.86 117.51 117.68 3itk h ILE 79 Ca 0.34 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.58 3itk h ILE 79 Cb -0.10 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3itk h ILE 79 CO -0.08 0.20 -0.02 0.11 0.00 0.00 0.00 178.15 178.35 3itk h LYS 80 N -0.08 0.08 0.00 2.37 1.57 -1.08 -2.49 116.57 116.94 3itk h LYS 80 Ca 0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3itk h LYS 80 Cb 0.29 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3itk h LYS 80 CO 0.00 0.05 -0.12 0.93 -0.57 0.00 0.00 179.45 179.75 3itk h GLU 81 N 0.08 0.00 -6.86 3.15 5.08 -1.51 -3.47 114.58 111.05 3itk h GLU 81 Ca 0.19 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.04 3itk h GLU 81 Cb 0.27 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.56 3itk h GLU 81 CO -0.33 0.12 0.54 0.00 -1.00 0.00 0.00 179.01 178.34 3itk s ALA 82 N -3.55 3.39 0.01 3.43 0.00 -0.94 -4.84 121.76 119.27 3itk s ALA 82 Ca 0.02 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3itk s ALA 82 Cb 0.09 -3.40 -0.27 0.00 0.00 0.00 0.00 23.12 19.54 3itk s ALA 82 CO 0.61 -0.42 0.88 -0.44 0.00 0.00 0.00 175.76 176.39 3itk h ASP 83 N 3.42 0.35 -3.48 0.00 3.32 -1.46 -3.46 116.42 115.10 3itk h ASP 83 Ca -0.48 -0.48 -0.46 0.00 0.02 0.00 0.00 57.03 55.63 3itk h ASP 83 Cb 1.22 -0.11 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 3itk h ASP 83 CO 0.65 1.40 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.56 3itk s LEU 84 N -6.92 1.53 -0.18 1.55 1.98 -1.04 -0.90 118.68 114.69 3itk s LEU 84 Ca -0.08 -0.21 0.00 0.00 -2.89 0.00 0.00 54.13 50.95 3itk s LEU 84 Cb 0.07 -0.63 0.01 0.00 0.66 0.00 0.00 46.19 46.30 3itk s LEU 84 CO 0.85 0.00 -0.17 -0.69 -1.89 0.00 0.00 176.35 174.45 3itk s VAL 85 N 0.71 2.30 0.01 1.68 1.01 0.10 -1.20 120.40 125.01 3itk s VAL 85 Ca -0.12 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 3itk s VAL 85 Cb -0.14 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3itk s VAL 85 CO 0.02 0.52 0.62 -0.36 0.00 0.00 0.00 175.10 175.90 3itk s PHE 86 N 1.26 3.70 -0.29 5.22 0.08 0.13 -0.72 117.98 127.36 3itk s PHE 86 Ca 0.04 1.25 -0.10 0.00 0.12 0.00 0.00 56.93 58.24 3itk s PHE 86 Cb -0.13 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 3itk s PHE 86 CO -0.10 0.36 0.15 0.42 -0.10 0.00 0.00 175.22 175.95 3itk s ILE 87 N -0.25 4.76 -0.30 0.64 1.01 -0.27 -0.83 121.20 125.95 3itk s ILE 87 Ca 0.32 -0.20 0.18 0.00 0.00 0.00 0.00 60.65 60.95 3itk s ILE 87 Cb -0.19 -3.34 0.48 0.00 0.01 0.00 0.00 42.46 39.42 3itk s ILE 87 CO 0.18 0.17 1.05 -0.24 0.00 0.00 0.00 174.94 176.11 3itk n SER 88 N 5.00 2.14 -4.96 3.58 2.88 0.89 -0.79 113.62 122.35 3itk n SER 88 Ca -0.14 -2.62 -0.22 0.00 -1.33 0.00 0.00 58.87 54.56 3itk n SER 88 Cb 0.50 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 3itk n SER 88 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3itk s VAL 89 N -3.77 5.23 0.64 2.46 -7.23 -1.25 -4.48 120.40 112.00 3itk s VAL 89 Ca 0.31 -0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 59.47 3itk s VAL 89 Cb 0.39 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 3itk s VAL 89 CO -0.01 -0.36 1.11 0.20 -0.31 0.00 0.00 175.10 175.72 3itk s ASN 90 N -3.94 5.20 -0.61 4.85 0.01 -1.26 -4.73 114.94 114.46 3itk s ASN 90 Ca 0.35 2.02 0.05 0.00 -0.71 0.00 0.00 52.86 54.57 3itk s ASN 90 Cb -0.09 -2.55 0.18 0.00 0.41 0.00 0.00 41.25 39.19 3itk s ASN 90 CO 0.30 -1.57 0.47 0.35 -1.51 0.00 0.00 177.10 175.15 3itk n THR 91 N -2.26 0.83 -1.09 1.60 -2.24 -1.26 -4.62 114.28 105.24 3itk n THR 91 Ca 0.10 -4.47 -0.33 0.00 -2.27 0.00 0.00 64.05 57.09 3itk n THR 91 Cb 0.52 -2.03 0.13 0.00 -2.10 0.00 0.00 70.33 66.85 3itk n THR 91 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3itk s PRO 92 N -1.10 1.65 0.35 -0.78 0.04 -1.26 -4.43 135.00 129.47 3itk s PRO 92 Ca 0.28 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 3itk s PRO 92 Cb -0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 3itk s PRO 92 CO -0.17 -2.17 1.20 0.99 0.04 0.00 0.00 177.00 176.88 3itk s THR 93 N -2.36 3.10 0.34 1.26 2.01 -1.26 -0.69 115.64 118.04 3itk s THR 93 Ca 0.70 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 3itk s THR 93 Cb -0.25 -3.62 -0.11 0.00 0.01 0.00 0.00 72.50 68.53 3itk s THR 93 CO 0.52 0.18 1.45 -0.54 -0.69 0.00 0.00 174.62 175.54 3itk s LYS 94 N -1.92 4.19 0.00 4.92 1.02 0.01 -4.78 119.74 123.18 3itk s LYS 94 Ca 0.51 2.46 0.16 0.00 0.02 0.00 0.00 55.97 59.12 3itk s LYS 94 Cb -0.34 -3.01 0.31 0.00 -0.52 0.00 0.00 37.83 34.27 3itk s LYS 94 CO 0.44 -0.45 1.22 0.25 -0.92 0.00 0.00 175.35 175.89 3itk n THR 95 N 0.92 0.56 -3.63 2.17 -2.24 -1.26 -0.60 114.28 110.20 3itk n THR 95 Ca 0.02 -0.78 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 3itk n THR 95 Cb 0.40 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 3itk n THR 95 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3itk s TYR 96 N -1.16 -0.31 0.00 4.78 -0.85 -1.26 -4.84 117.35 113.70 3itk s TYR 96 Ca 0.28 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.85 3itk s TYR 96 Cb 0.16 0.61 0.00 0.00 0.38 0.00 0.00 41.96 43.11 3itk s TYR 96 CO 0.22 -0.88 0.00 0.41 -1.52 0.00 0.00 175.55 173.78 3itk n GLY 97 N -0.39 -1.62 3.66 5.49 0.00 -1.26 -4.42 105.19 106.65 3itk n GLY 97 Ca -0.09 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3itk n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3itk s MET 98 N 0.00 4.15 0.00 1.61 -1.94 -1.26 -1.35 119.30 120.51 3itk s MET 98 Ca 0.00 2.52 0.00 0.00 -1.71 0.00 0.00 55.69 56.50 3itk s MET 98 Cb 0.00 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.74 3itk s MET 98 CO 0.00 -0.93 0.00 0.41 -0.01 0.00 0.00 175.02 174.49 3itk n GLY 99 N 4.44 0.54 3.59 -0.03 0.00 -1.26 -4.85 105.19 107.62 3itk n GLY 99 Ca 0.19 -0.66 -0.59 0.00 0.00 0.00 0.00 46.02 44.96 3itk n GLY 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3itk n LYS 100 N -2.78 0.42 -0.91 1.61 4.81 -0.46 -0.62 118.16 120.24 3itk n LYS 100 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3itk n LYS 100 Cb 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3itk n LYS 100 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3itk n GLY 101 N 2.54 0.93 0.98 3.14 0.00 0.23 -4.72 105.19 108.29 3itk n GLY 101 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3itk n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3itk n ARG 102 N -2.05 0.00 -2.31 1.61 1.74 -0.36 -4.96 116.66 110.33 3itk n ARG 102 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 3itk n ARG 102 Cb 0.00 -0.23 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 3itk n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itk s ALA 103 N -1.49 3.10 0.27 7.54 0.00 0.21 -3.13 121.76 128.26 3itk s ALA 103 Ca 0.00 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 3itk s ALA 103 Cb 0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 3itk s ALA 103 CO 0.00 -0.53 0.99 0.00 0.00 0.00 0.00 175.76 176.22 3itk s ALA 104 N -1.47 3.32 -0.37 0.00 0.00 -1.26 -0.81 121.76 121.17 3itk s ALA 104 Ca 0.59 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 3itk s ALA 104 Cb -0.29 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3itk s ALA 104 CO 0.36 0.08 0.37 0.34 0.00 0.00 0.00 175.76 176.91 3itk s ASP 105 N -1.19 6.17 0.00 0.00 -1.08 0.13 -4.75 116.67 115.95 3itk s ASP 105 Ca 0.44 -0.45 0.07 0.00 -0.52 0.00 0.00 52.55 52.10 3itk s ASP 105 Cb -0.26 -2.20 0.30 0.00 -1.46 0.00 0.00 42.92 39.30 3itk s ASP 105 CO 0.33 -0.41 1.22 0.18 0.52 0.00 0.00 175.17 177.01 3itk n LEU 106 N 5.40 0.67 -0.35 -1.34 4.77 -1.26 -4.26 117.00 120.62 3itk n LEU 106 Ca -0.09 -0.32 0.01 0.00 -0.03 0.00 0.00 56.01 55.58 3itk n LEU 106 Cb 0.49 -0.08 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 3itk n LEU 106 CO 0.42 0.16 1.25 0.07 -1.33 0.00 0.00 177.39 177.96 3itk h LYS 107 N 0.76 1.10 -0.09 3.23 2.10 -1.93 0.52 116.57 122.28 3itk h LYS 107 Ca 0.00 -0.07 -0.21 0.00 -2.00 0.00 0.00 60.65 58.38 3itk h LYS 107 Cb 0.17 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 3itk h LYS 107 CO 0.00 0.73 -0.79 1.88 -2.00 0.00 0.00 179.45 179.27 3itk h TYR 108 N 1.14 0.75 -0.50 0.07 0.05 -1.82 -1.38 116.97 115.29 3itk h TYR 108 Ca 0.41 -0.35 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3itk h TYR 108 Cb 0.12 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3itk h TYR 108 CO -0.01 1.14 0.24 0.82 -1.05 0.00 0.00 178.16 179.30 3itk h ILE 109 N 0.36 1.19 -0.38 -2.88 1.08 -1.59 -1.06 117.51 114.24 3itk h ILE 109 Ca -0.05 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3itk h ILE 109 Cb 1.39 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 3itk h ILE 109 CO 0.15 0.21 0.17 -0.08 -0.69 0.00 0.00 178.15 177.91 3itk h GLU 110 N 0.66 0.55 -0.60 2.37 4.81 -0.85 -1.48 114.58 120.05 3itk h GLU 110 Ca 0.17 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3itk h GLU 110 Cb 0.12 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3itk h GLU 110 CO -0.02 0.50 0.31 0.00 -0.73 0.00 0.00 179.01 179.08 3itk h ALA 111 N 1.02 0.78 -0.12 2.92 0.00 -0.97 -0.28 119.26 122.61 3itk h ALA 111 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3itk h ALA 111 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3itk h ALA 111 CO -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 179.25 179.29 3itk h ALA 113 N 1.04 0.63 -0.89 0.00 0.00 -0.78 0.17 119.26 119.44 3itk h ALA 113 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3itk h ALA 113 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3itk h ALA 113 CO -0.01 -0.04 0.57 0.00 0.00 0.00 0.00 179.25 179.77 3itk h ARG 114 N 0.55 1.18 -0.56 0.00 3.08 -0.94 -1.72 114.38 115.98 3itk h ARG 114 Ca 0.21 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3itk h ARG 114 Cb 0.06 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3itk h ARG 114 CO -0.11 0.80 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.46 3itk h ARG 115 N 1.21 1.02 -0.22 0.04 2.43 -0.34 -2.19 114.38 116.32 3itk h ARG 115 Ca 0.32 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3itk h ARG 115 Cb -0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3itk h ARG 115 CO -0.07 1.03 0.14 0.82 -1.51 0.00 0.00 179.97 180.38 3itk h ILE 116 N 0.90 1.07 -0.51 1.20 2.04 -0.36 -1.62 117.51 120.23 3itk h ILE 116 Ca 0.15 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3itk h ILE 116 Cb 0.60 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3itk h ILE 116 CO 0.04 0.06 -0.02 1.62 0.00 0.00 0.00 178.15 179.85 3itk h VAL 117 N 0.29 1.25 -0.70 1.67 3.04 -1.27 -1.91 116.25 118.62 3itk h VAL 117 Ca 0.08 -1.09 -0.03 0.00 -1.01 0.00 0.00 66.70 64.65 3itk h VAL 117 Cb -0.02 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 30.12 3itk h VAL 117 CO -0.02 0.38 0.31 -0.61 -1.01 0.00 0.00 177.57 176.63 3itk h GLN 118 N 0.80 1.01 -0.66 4.17 4.15 -1.14 -3.03 115.11 120.43 3itk h GLN 118 Ca 0.15 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3itk h GLN 118 Cb 0.51 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3itk h GLN 118 CO 0.03 0.80 0.00 0.09 -1.93 0.00 0.00 178.83 177.82 3itk n ASN 119 N -4.32 4.42 -4.41 -0.69 3.02 -0.63 -4.99 115.26 107.66 3itk n ASN 119 Ca 0.06 -2.38 -0.31 0.00 -0.03 0.00 0.00 54.58 51.93 3itk n ASN 119 Cb 0.15 -0.55 -0.14 0.00 -0.61 0.00 0.00 39.78 38.64 3itk n ASN 119 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3itk s SER 120 N -0.88 3.53 0.07 6.41 0.01 -0.76 -4.17 113.70 117.93 3itk s SER 120 Ca 0.48 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.26 3itk s SER 120 Cb 0.30 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3itk s SER 120 CO 0.24 0.26 -0.06 0.20 0.41 0.00 0.00 173.24 174.29 3itk s ASN 121 N -1.34 0.93 0.58 2.44 0.01 -1.26 -4.98 114.94 111.32 3itk s ASN 121 Ca 0.13 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.42 3itk s ASN 121 Cb -0.10 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.65 3itk s ASN 121 CO 0.04 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 3itk n GLY 122 N 0.44 0.77 3.68 0.66 0.00 -1.11 -4.74 105.19 104.89 3itk n GLY 122 Ca -0.16 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 3itk n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3itk s TYR 123 N 0.00 3.35 0.03 1.61 5.04 -1.26 -0.67 117.35 125.44 3itk s TYR 123 Ca 0.00 0.30 -0.03 0.00 -2.44 0.00 0.00 57.07 54.90 3itk s TYR 123 Cb 0.00 -2.27 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 3itk s TYR 123 CO 0.00 0.11 0.03 0.15 -1.34 0.00 0.00 175.55 174.50 3itk s LYS 124 N 0.92 0.47 -0.22 4.97 1.02 -1.05 -4.85 119.74 120.99 3itk s LYS 124 Ca 0.09 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.26 3itk s LYS 124 Cb -0.13 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 3itk s LYS 124 CO 0.03 -0.10 0.09 0.42 -0.92 0.00 0.00 175.35 174.88 3itk s ILE 125 N -2.24 4.77 -0.19 2.17 1.01 -0.08 -1.34 121.20 125.30 3itk s ILE 125 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3itk s ILE 125 Cb -0.04 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3itk s ILE 125 CO -0.03 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.57 3itk s VAL 126 N 1.04 3.78 -0.12 2.92 1.01 0.20 -0.72 120.40 128.50 3itk s VAL 126 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3itk s VAL 126 Cb -0.14 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3itk s VAL 126 CO 0.03 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.59 3itk s THR 127 N 0.84 1.25 -0.19 3.92 2.01 0.10 -0.59 115.64 122.98 3itk s THR 127 Ca -0.00 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 3itk s THR 127 Cb -0.14 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 3itk s THR 127 CO 0.02 0.40 1.32 -1.61 -0.69 0.00 0.00 174.62 174.06 3itk s GLU 128 N 1.51 4.14 -0.13 4.92 2.02 -0.56 -1.11 118.70 129.48 3itk s GLU 128 Ca 0.03 1.61 0.14 0.00 0.02 0.00 0.00 54.97 56.76 3itk s GLU 128 Cb -0.13 -3.82 -0.19 0.00 0.10 0.00 0.00 34.13 30.09 3itk s GLU 128 CO -0.08 -0.84 0.09 1.17 0.02 0.00 0.00 175.26 175.62 3itk n LYS 129 N 6.86 1.42 -1.52 1.61 3.00 0.03 -1.15 118.16 128.41 3itk n LYS 129 Ca 0.15 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 58.12 3itk n LYS 129 Cb 0.45 -1.39 0.06 0.00 0.00 0.00 0.00 35.03 34.16 3itk n LYS 129 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3itk s SER 130 N -4.74 5.07 -0.25 3.14 1.04 -1.12 -3.58 113.70 113.25 3itk s SER 130 Ca -0.07 1.75 -0.29 0.00 0.48 0.00 0.00 55.95 57.82 3itk s SER 130 Cb 0.05 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 3itk s SER 130 CO 0.62 -1.65 1.78 0.00 0.98 0.00 0.00 173.24 174.97 3itk s ALA 131 N -2.87 3.06 0.24 5.32 0.00 -1.26 -4.86 121.76 121.38 3itk s ALA 131 Ca 0.60 0.46 0.11 0.00 0.00 0.00 0.00 51.96 53.14 3itk s ALA 131 Cb -0.16 -3.95 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 3itk s ALA 131 CO 0.52 -2.31 -0.19 0.14 0.00 0.00 0.00 175.76 173.92 3itk s VAL 132 N 6.22 2.55 0.61 0.00 -7.23 -1.26 -4.64 120.40 116.65 3itk s VAL 132 Ca 0.79 -2.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 3itk s VAL 132 Cb -0.26 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 3itk s VAL 132 CO 0.33 -0.26 1.05 -2.16 -0.31 0.00 0.00 175.10 173.75 3itk s PRO 133 N -3.13 3.28 0.28 4.82 0.04 -1.26 -4.90 135.00 134.12 3itk s PRO 133 Ca 0.26 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 3itk s PRO 133 Cb -0.07 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3itk s PRO 133 CO 0.13 -0.83 1.51 0.08 0.04 0.00 0.00 177.00 177.93 3itk s VAL 134 N -2.61 2.35 0.00 -0.36 1.01 -1.26 -1.57 120.40 117.96 3itk s VAL 134 Ca 0.62 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3itk s VAL 134 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3itk s VAL 134 CO 0.41 0.05 0.00 0.54 0.00 0.00 0.00 175.10 176.10 3itk n ARG 135 N 2.17 0.00 -0.28 2.72 1.74 -1.26 -4.96 116.66 116.78 3itk n ARG 135 Ca 0.07 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.22 3itk n ARG 135 Cb 0.39 -1.38 0.21 0.00 -1.02 0.00 0.00 32.46 30.66 3itk n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itk h ALA 136 N 0.00 1.21 -0.07 7.54 0.00 -1.66 -1.63 119.26 124.66 3itk h ALA 136 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3itk h ALA 136 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3itk h ALA 136 CO 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 179.25 178.80 3itk h ALA 137 N 1.55 1.32 -0.86 0.00 0.00 -1.93 -1.49 119.26 117.85 3itk h ALA 137 Ca 0.45 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3itk h ALA 137 Cb 0.63 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3itk h ALA 137 CO -0.37 0.48 0.56 0.93 0.00 0.00 0.00 179.25 180.86 3itk h GLU 138 N 0.12 1.13 -0.28 0.00 5.08 -1.72 -0.67 114.58 118.24 3itk h GLU 138 Ca 0.02 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3itk h GLU 138 Cb 0.65 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3itk h GLU 138 CO 0.05 0.75 -0.09 0.77 -1.00 0.00 0.00 179.01 179.50 3itk h SER 139 N 1.16 0.56 -0.71 1.42 0.02 -0.87 -0.63 113.55 114.52 3itk h SER 139 Ca 0.31 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3itk h SER 139 Cb -0.13 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 3itk h SER 139 CO -0.07 0.81 0.40 0.40 -1.14 0.00 0.00 176.83 177.24 3itk h ILE 140 N 0.31 0.98 -0.78 3.27 2.04 -1.19 -1.31 117.51 120.83 3itk h ILE 140 Ca 0.07 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3itk h ILE 140 Cb 0.57 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3itk h ILE 140 CO 0.03 0.13 0.34 -0.09 0.00 0.00 0.00 178.15 178.56 3itk h ARG 141 N 0.74 1.15 -0.62 2.37 9.65 -0.68 -1.38 114.38 125.60 3itk h ARG 141 Ca 0.32 -0.19 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3itk h ARG 141 Cb 0.20 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3itk h ARG 141 CO -0.18 0.92 0.17 0.00 2.80 0.00 0.00 179.97 183.67 3itk h ARG 142 N 1.12 0.99 -0.33 0.20 2.47 -0.43 0.53 114.38 118.93 3itk h ARG 142 Ca 0.26 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 3itk h ARG 142 Cb 0.18 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3itk h ARG 142 CO -0.03 0.89 0.08 0.82 0.56 0.00 0.00 179.97 182.30 3itk h ILE 143 N 0.91 1.22 -0.34 2.04 2.04 -0.82 -0.15 117.51 122.41 3itk h ILE 143 Ca 0.20 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3itk h ILE 143 Cb 0.33 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3itk h ILE 143 CO -0.00 0.25 0.14 -0.26 0.00 0.00 0.00 178.15 178.27 3itk h PHE 144 N 0.37 0.52 -0.34 1.37 0.04 -1.07 -2.50 116.94 115.33 3itk h PHE 144 Ca 0.10 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 3itk h PHE 144 Cb 0.29 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3itk h PHE 144 CO 0.01 0.48 0.00 -0.44 -0.60 0.00 0.00 178.31 177.77 3itk h ASP 145 N 0.40 0.49 1.55 2.17 3.32 -0.76 -2.90 116.42 120.69 3itk h ASP 145 Ca 0.11 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3itk h ASP 145 Cb 0.18 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3itk h ASP 145 CO -0.01 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3itk h ALA 146 N 1.51 1.00 -0.70 3.45 0.00 -0.81 -3.31 119.26 120.41 3itk h ALA 146 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.55 3itk h ALA 146 Cb 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.69 3itk h ALA 146 CO 0.01 0.00 -0.90 0.09 0.00 0.00 0.00 179.25 178.45 3itk n ASN 147 N -2.57 4.02 -4.79 0.00 3.02 -0.96 -5.08 115.26 108.90 3itk n ASN 147 Ca 0.05 -3.29 -0.31 0.00 -0.03 0.00 0.00 54.58 51.00 3itk n ASN 147 Cb 0.44 -0.38 0.08 0.00 -0.61 0.00 0.00 39.78 39.31 3itk n ASN 147 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3itk s THR 148 N -4.41 3.39 0.09 3.41 -1.32 -1.15 -4.94 115.64 110.71 3itk s THR 148 Ca 0.44 0.45 0.01 0.00 -1.21 0.00 0.00 61.69 61.39 3itk s THR 148 Cb 0.39 -3.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 3itk s THR 148 CO 0.01 -0.59 -0.06 -0.54 -2.21 0.00 0.00 174.62 171.23 3itk s LYS 149 N -5.02 0.78 0.23 7.08 1.02 -1.26 -5.09 119.74 117.49 3itk s LYS 149 Ca 0.60 -1.27 -0.32 0.00 0.02 0.00 0.00 55.97 55.01 3itk s LYS 149 Cb -0.16 -0.16 -0.13 0.00 -0.52 0.00 0.00 37.83 36.86 3itk s LYS 149 CO 0.55 -0.02 1.57 -2.30 -0.92 0.00 0.00 175.35 174.24 3itk n PRO 150 N 0.12 2.44 -1.11 -1.68 -0.02 -1.26 -1.91 135.00 131.58 3itk n PRO 150 Ca -0.13 0.87 -0.04 0.00 -2.02 0.00 0.00 63.50 62.18 3itk n PRO 150 Cb 0.60 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3itk n PRO 150 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itk n ASN 151 N 2.82 -5.15 -4.67 2.55 3.02 -1.26 -4.82 115.26 107.76 3itk n ASN 151 Ca 0.13 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 3itk n ASN 151 Cb 0.33 -2.99 -0.04 0.00 -0.61 0.00 0.00 39.78 36.47 3itk n ASN 151 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3itk s LEU 152 N -0.88 4.18 -0.37 3.41 2.96 -0.80 -2.76 118.68 124.41 3itk s LEU 152 Ca 0.00 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 3itk s LEU 152 Cb 0.00 -3.19 0.13 0.00 0.50 0.00 0.00 46.19 43.63 3itk s LEU 152 CO 0.00 -0.38 0.21 0.21 -1.32 0.00 0.00 176.35 175.07 3itk s ASN 153 N 1.15 3.31 -0.23 3.68 2.47 0.15 -4.79 114.94 120.69 3itk s ASN 153 Ca 0.37 -2.24 -0.12 0.00 0.42 0.00 0.00 52.86 51.29 3itk s ASN 153 Cb -0.16 -0.65 -0.05 0.00 -1.45 0.00 0.00 41.25 38.94 3itk s ASN 153 CO 0.12 -0.31 0.25 -0.76 -3.72 0.00 0.00 177.10 172.68 3itk s LEU 154 N 0.93 4.12 -0.13 3.21 1.43 -1.26 -2.53 118.68 124.45 3itk s LEU 154 Ca 0.17 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 3itk s LEU 154 Cb -0.23 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3itk s LEU 154 CO -0.03 0.00 0.05 -1.10 0.23 0.00 0.00 176.35 175.50 3itk s GLN 155 N 1.22 3.48 -0.20 1.70 -1.52 -0.45 -4.96 119.66 118.93 3itk s GLN 155 Ca 0.12 -0.32 -0.05 0.00 -1.95 0.00 0.00 55.36 53.15 3itk s GLN 155 Cb -0.14 -3.04 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 3itk s GLN 155 CO 0.06 0.55 -0.01 0.08 -0.25 0.00 0.00 175.29 175.72 3itk s VAL 156 N -0.41 3.87 0.30 1.09 1.01 -1.26 0.61 120.40 125.61 3itk s VAL 156 Ca 0.09 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3itk s VAL 156 Cb -0.12 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 3itk s VAL 156 CO 0.02 0.42 -0.11 -0.76 0.00 0.00 0.00 175.10 174.68 3itk s LEU 157 N 1.08 2.62 -0.08 3.92 1.43 0.24 -4.57 118.68 123.33 3itk s LEU 157 Ca 0.02 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.00 3itk s LEU 157 Cb -0.14 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 3itk s LEU 157 CO 0.01 -0.20 -0.19 -0.55 0.23 0.00 0.00 176.35 175.66 3itk s SER 158 N -3.52 3.60 -0.45 2.29 0.15 0.12 -1.50 113.70 114.38 3itk s SER 158 Ca 0.30 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.63 3itk s SER 158 Cb 0.01 -1.08 0.19 0.00 -1.71 0.00 0.00 66.02 63.43 3itk s SER 158 CO 0.14 0.25 0.51 -3.20 1.20 0.00 0.00 173.24 172.14 3itk n ASN 159 N 2.96 -1.57 -4.76 5.45 4.05 -0.30 -0.50 115.26 120.60 3itk n ASN 159 Ca -0.18 -2.62 -0.32 0.00 0.45 0.00 0.00 54.58 51.91 3itk n ASN 159 Cb 0.52 0.34 0.09 0.00 1.23 0.00 0.00 39.78 41.96 3itk n ASN 159 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3itk s PRO 160 N 0.27 2.29 -0.04 1.20 0.02 -1.25 -4.33 135.00 133.16 3itk s PRO 160 Ca 0.32 1.33 -0.15 0.00 0.02 0.00 0.00 61.00 62.51 3itk s PRO 160 Cb 0.05 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 3itk s PRO 160 CO -0.14 -1.64 0.41 -2.00 -0.33 0.00 0.00 177.00 173.30 3itk s GLU 161 N -4.54 4.05 -0.61 5.54 -6.30 -1.24 -4.72 118.70 110.88 3itk s GLU 161 Ca 0.65 0.39 0.06 0.00 -2.50 0.00 0.00 54.97 53.56 3itk s GLU 161 Cb -0.20 -3.29 0.22 0.00 0.00 0.00 0.00 34.13 30.86 3itk s GLU 161 CO 0.51 0.53 0.62 1.19 0.02 0.00 0.00 175.26 178.12 3itk n PHE 162 N 2.41 2.70 -4.93 5.30 3.72 -1.26 -5.00 117.46 120.41 3itk n PHE 162 Ca -0.12 -4.07 -0.30 0.00 -0.05 0.00 0.00 57.45 52.91 3itk n PHE 162 Cb 0.52 -0.49 -0.15 0.00 -0.94 0.00 0.00 39.48 38.42 3itk n PHE 162 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3itk s LEU 163 N -1.85 2.21 0.11 4.37 1.43 -1.26 -4.91 118.68 118.78 3itk s LEU 163 Ca 0.35 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 3itk s LEU 163 Cb 0.09 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3itk s LEU 163 CO -0.08 0.27 -0.20 0.00 0.23 0.00 0.00 176.35 176.57 3itk s ALA 164 N -0.79 2.61 0.27 4.21 0.00 -1.26 -5.04 121.76 121.76 3itk s ALA 164 Ca 0.12 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 3itk s ALA 164 Cb -0.10 -0.61 -0.11 0.00 0.00 0.00 0.00 23.12 22.30 3itk s ALA 164 CO 0.02 0.58 1.57 -1.21 0.00 0.00 0.00 175.76 176.72 3itk s GLU 165 N -2.04 4.16 0.00 0.00 0.41 -1.26 -2.54 118.70 117.43 3itk s GLU 165 Ca 0.17 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 57.23 3itk s GLU 165 Cb -0.10 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 3itk s GLU 165 CO 0.09 -0.59 0.00 0.41 -0.49 0.00 0.00 175.26 174.67 3itk n GLY 166 N 2.46 2.56 0.09 -1.39 0.00 -1.26 -4.81 105.19 102.85 3itk n GLY 166 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 3itk n GLY 166 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itk n THR 167 N -2.00 0.84 -0.21 2.61 -2.24 -1.05 -4.53 114.28 107.70 3itk n THR 167 Ca 0.00 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3itk n THR 167 Cb 0.00 0.43 0.11 0.00 -2.10 0.00 0.00 70.33 68.77 3itk n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3itk h ALA 168 N 0.00 0.79 -0.12 6.98 0.00 -1.84 0.16 119.26 125.24 3itk h ALA 168 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3itk h ALA 168 Cb 0.88 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3itk h ALA 168 CO 0.00 -0.20 -0.28 0.82 0.00 0.00 0.00 179.25 179.58 3itk h ILE 169 N 0.40 1.38 -0.45 0.00 1.08 -1.90 0.60 117.51 118.62 3itk h ILE 169 Ca 0.31 -1.59 0.05 0.00 -0.39 0.00 0.00 64.86 63.25 3itk h ILE 169 Cb 0.40 2.11 -0.05 0.00 -3.07 0.00 0.00 36.82 36.21 3itk h ILE 169 CO -0.32 0.47 0.17 0.11 -0.69 0.00 0.00 178.15 177.89 3itk h LYS 170 N -0.03 0.35 -0.81 2.37 1.57 -1.81 0.50 116.57 118.71 3itk h LYS 170 Ca -0.00 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3itk h LYS 170 Cb 0.89 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 3itk h LYS 170 CO 0.06 0.23 0.54 -0.44 -0.57 0.00 0.00 179.45 179.27 3itk h ASP 171 N 0.36 0.90 0.35 0.86 3.32 -0.49 0.65 116.42 122.37 3itk h ASP 171 Ca 0.21 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.96 3itk h ASP 171 Cb 0.19 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.54 3itk h ASP 171 CO -0.20 0.64 -1.24 -0.07 -1.72 0.00 0.00 179.24 176.65 3itk h LEU 172 N 1.06 0.67 -0.26 1.55 3.38 -0.36 -2.79 115.31 118.55 3itk h LEU 172 Ca 0.31 -0.65 -0.20 0.00 0.09 0.00 0.00 57.88 57.43 3itk h LEU 172 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3itk h LEU 172 CO -0.08 1.48 -0.89 0.11 0.09 0.00 0.00 178.44 179.15 3itk h LYS 173 N 0.18 0.18 -2.03 1.13 1.57 -0.70 -3.39 116.57 113.51 3itk h LYS 173 Ca -0.16 -0.20 -0.56 0.00 -1.87 0.00 0.00 60.65 57.85 3itk h LYS 173 Cb 1.92 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.90 3itk h LYS 173 CO 0.22 0.95 -1.02 -1.71 -0.57 0.00 0.00 179.45 177.32 3itk n ASN 174 N -3.64 0.85 -4.81 0.86 5.15 0.20 -4.92 115.26 108.96 3itk n ASN 174 Ca -0.03 -2.84 -0.34 0.00 -0.60 0.00 0.00 54.58 50.76 3itk n ASN 174 Cb 0.82 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 39.37 3itk n ASN 174 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3itk s PRO 175 N -1.49 4.18 0.21 1.20 0.04 -1.05 -4.67 135.00 133.42 3itk s PRO 175 Ca 0.36 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 3itk s PRO 175 Cb 0.18 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.60 3itk s PRO 175 CO -0.09 -0.08 1.87 -0.44 0.04 0.00 0.00 177.00 178.29 3itk h ASP 176 N 2.08 0.94 -5.00 6.66 3.32 -1.95 -3.45 116.42 119.02 3itk h ASP 176 Ca -0.49 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 3itk h ASP 176 Cb 1.19 -0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.38 3itk h ASP 176 CO 0.61 0.71 0.21 0.00 -1.72 0.00 0.00 179.24 179.06 3itk s ARG 177 N -6.03 1.27 -0.09 3.56 3.03 -1.26 -4.88 118.95 114.54 3itk s ARG 177 Ca -0.13 -0.45 0.01 0.00 2.03 0.00 0.00 55.73 57.19 3itk s ARG 177 Cb 0.15 0.59 -0.02 0.00 -1.03 0.00 0.00 34.95 34.64 3itk s ARG 177 CO 0.79 -0.55 -0.11 0.08 -1.13 0.00 0.00 175.30 174.38 3itk s VAL 178 N -3.67 3.28 -0.15 4.99 1.01 -0.07 -4.97 120.40 120.82 3itk s VAL 178 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3itk s VAL 178 Cb -0.01 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3itk s VAL 178 CO -0.12 0.56 -0.19 -0.22 0.00 0.00 0.00 175.10 175.13 3itk s LEU 179 N -0.25 1.99 -0.08 3.92 2.96 -1.26 -0.16 118.68 125.80 3itk s LEU 179 Ca 0.02 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3itk s LEU 179 Cb -0.13 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.22 3itk s LEU 179 CO 0.03 0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.39 3itk s ILE 180 N 1.09 0.81 -0.07 6.68 1.01 -0.46 -3.80 121.20 126.47 3itk s ILE 180 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3itk s ILE 180 Cb -0.14 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 3itk s ILE 180 CO -0.07 0.31 -0.14 -0.83 0.00 0.00 0.00 174.94 174.21 3itk s GLY 181 N 1.33 1.53 0.24 6.18 0.00 0.35 -1.19 107.32 115.76 3itk s GLY 181 Ca -0.03 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 3itk s GLY 181 CO -0.03 -0.59 0.50 -0.32 0.00 0.00 0.00 173.10 172.67 3itk s GLY 182 N -0.39 0.36 0.63 0.20 0.00 -0.58 -0.71 107.32 106.83 3itk s GLY 182 Ca 0.04 -0.71 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 3itk s GLY 182 CO 0.02 -0.52 1.27 0.99 0.00 0.00 0.00 173.10 174.86 3itk s ASP 183 N -2.98 4.80 -1.27 1.64 1.01 -1.26 -3.23 116.67 115.38 3itk s ASP 183 Ca 0.19 2.55 -0.06 0.00 0.71 0.00 0.00 52.55 55.94 3itk s ASP 183 Cb -0.01 -2.61 0.16 0.00 1.01 0.00 0.00 42.92 41.47 3itk s ASP 183 CO 0.07 -1.87 2.14 1.21 0.21 0.00 0.00 175.17 176.93 3itk n GLU 184 N -1.80 4.44 -4.27 8.23 4.07 -1.26 -3.74 120.64 126.30 3itk n GLU 184 Ca 0.15 -3.67 -0.15 0.00 -0.06 0.00 0.00 57.16 53.43 3itk n GLU 184 Cb 0.49 -2.68 -0.10 0.00 -0.06 0.00 0.00 31.44 29.09 3itk n GLU 184 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3itk s THR 185 N -1.21 1.19 0.24 6.31 -4.23 -1.26 -5.03 115.64 111.66 3itk s THR 185 Ca 0.47 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.87 3itk s THR 185 Cb 0.15 -1.97 0.21 0.00 1.34 0.00 0.00 72.50 72.24 3itk s THR 185 CO -0.06 -0.65 1.80 -0.65 -0.54 0.00 0.00 174.62 174.52 3itk h PRO 186 N 2.70 0.71 -0.21 3.99 0.11 -1.99 -0.36 132.00 136.95 3itk h PRO 186 Ca -0.37 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 3itk h PRO 186 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3itk h PRO 186 CO 0.64 0.47 -0.53 0.93 -0.21 0.00 0.00 178.00 179.29 3itk h GLU 187 N 0.73 0.61 -0.60 1.05 4.39 -1.97 -1.63 114.58 117.16 3itk h GLU 187 Ca 0.39 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3itk h GLU 187 Cb 0.39 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3itk h GLU 187 CO -0.26 0.99 0.39 0.78 -1.16 0.00 0.00 179.01 179.75 3itk h GLY 188 N 1.01 0.85 1.77 -3.84 0.00 -1.63 -1.03 103.07 100.20 3itk h GLY 188 Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 3itk h GLY 188 CO 0.10 0.29 -0.45 1.46 0.00 0.00 0.00 176.54 177.94 3itk h GLN 189 N 0.79 0.25 -0.36 4.80 1.08 -0.96 0.74 115.11 121.45 3itk h GLN 189 Ca 0.23 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 3itk h GLN 189 Cb -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3itk h GLN 189 CO -0.06 0.66 -0.08 0.00 -0.95 0.00 0.00 178.83 178.40 3itk h ARG 190 N 0.21 0.70 -0.19 1.46 3.08 -0.93 -0.77 114.38 117.93 3itk h ARG 190 Ca 0.01 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.83 3itk h ARG 190 Cb 0.88 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3itk h ARG 190 CO 0.07 0.85 0.03 0.00 -1.07 0.00 0.00 179.97 179.85 3itk h ALA 191 N 0.83 0.19 -0.43 0.04 0.00 -0.87 -0.94 119.26 118.09 3itk h ALA 191 Ca 0.09 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3itk h ALA 191 Cb 0.58 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3itk h ALA 191 CO 0.03 -0.40 0.12 0.28 0.00 0.00 0.00 179.25 179.29 3itk h VAL 192 N 0.11 0.82 -0.52 0.00 2.07 -0.73 -1.83 116.25 116.17 3itk h VAL 192 Ca 0.09 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3itk h VAL 192 Cb 0.08 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3itk h VAL 192 CO -0.12 0.05 0.14 1.56 0.02 0.00 0.00 177.57 179.22 3itk h GLN 193 N 0.27 0.78 -0.76 1.57 1.08 -0.69 -0.84 115.11 116.52 3itk h GLN 193 Ca 0.21 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3itk h GLN 193 Cb 0.23 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 3itk h GLN 193 CO -0.24 0.69 0.43 0.00 -0.95 0.00 0.00 178.83 178.77 3itk h ALA 194 N 1.40 0.97 -0.07 3.87 0.00 -0.34 -1.12 119.26 123.97 3itk h ALA 194 Ca 0.17 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3itk h ALA 194 Cb 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3itk h ALA 194 CO -0.01 0.46 -0.81 1.25 0.00 0.00 0.00 179.25 180.15 3itk h LEU 195 N 1.04 0.58 -0.64 0.00 5.85 -1.06 -2.87 115.31 118.22 3itk h LEU 195 Ca 0.27 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.68 3itk h LEU 195 Cb 0.01 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 3itk h LEU 195 CO -0.05 1.18 0.23 0.00 -0.34 0.00 0.00 178.44 179.46 3itk h ALA 197 N 1.45 1.62 0.08 0.00 0.00 -0.99 0.31 119.26 121.74 3itk h ALA 197 Ca 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3itk h ALA 197 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3itk h ALA 197 CO -0.34 0.32 -0.04 0.28 0.00 0.00 0.00 179.25 179.48 3itk h VAL 198 N 0.59 0.99 -0.06 0.00 2.07 -1.24 -2.85 116.25 115.75 3itk h VAL 198 Ca 0.15 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3itk h VAL 198 Cb -0.00 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3itk h VAL 198 CO -0.03 0.06 -0.27 1.88 0.02 0.00 0.00 177.57 179.24 3itk h TYR 199 N -0.22 0.11 0.00 1.57 -1.99 -0.90 -2.83 116.97 112.71 3itk h TYR 199 Ca -0.01 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3itk h TYR 199 Cb 0.18 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.88 3itk h TYR 199 CO -0.04 0.36 0.00 0.39 -0.00 0.00 0.00 178.16 178.88 3itk n GLU 200 N -4.19 0.15 0.21 4.88 1.02 0.97 -0.71 120.64 122.97 3itk n GLU 200 Ca -0.02 0.52 0.15 0.00 -0.02 0.00 0.00 57.16 57.80 3itk n GLU 200 Cb 0.34 -1.88 0.80 0.00 -0.02 0.00 0.00 31.44 30.68 3itk n GLU 200 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3itk h HIS 201 N 0.00 0.00 0.00 -0.32 3.86 -1.49 -3.36 115.15 113.84 3itk h HIS 201 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3itk h HIS 201 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3itk h HIS 201 CO 0.00 0.00 0.00 -2.67 0.86 0.00 0.00 177.93 176.12 3itk n TRP 202 N -4.01 0.00 -4.47 2.45 2.14 -0.52 -5.02 117.44 108.01 3itk n TRP 202 Ca 0.01 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.24 3itk n TRP 202 Cb 0.26 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.64 3itk n TRP 202 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3itk s VAL 203 N 0.00 3.80 0.49 -1.67 1.01 0.11 -5.01 120.40 119.13 3itk s VAL 203 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 3itk s VAL 203 Cb 0.00 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 3itk s VAL 203 CO 0.00 0.51 1.28 -2.84 0.00 0.00 0.00 175.10 174.05 3itk s PRO 204 N 0.19 3.51 0.45 2.72 0.02 -1.26 -4.25 135.00 136.38 3itk s PRO 204 Ca -0.03 2.06 0.15 0.00 0.02 0.00 0.00 61.00 63.20 3itk s PRO 204 Cb -0.14 -2.40 1.09 0.00 0.02 0.00 0.00 34.50 33.07 3itk s PRO 204 CO 0.03 -0.84 1.99 -0.09 -0.33 0.00 0.00 177.00 177.77 3itk h ARG 205 N 1.89 0.33 0.00 5.54 9.65 -1.95 -1.21 114.38 128.62 3itk h ARG 205 Ca -0.50 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3itk h ARG 205 Cb 1.27 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3itk h ARG 205 CO 0.59 0.22 0.00 1.05 2.80 0.00 0.00 179.97 184.63 3itk h GLU 206 N 0.33 0.00 -0.18 0.20 9.09 -2.03 -2.23 114.58 119.76 3itk h GLU 206 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3itk h GLU 206 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 3itk h GLU 206 CO -0.06 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.63 3itk n LYS 207 N -2.47 2.10 -3.64 1.06 5.02 -0.46 -4.81 118.16 114.95 3itk n LYS 207 Ca 0.02 -1.63 -0.39 0.00 -2.02 0.00 0.00 58.31 54.29 3itk n LYS 207 Cb 0.26 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 3itk n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3itk s ILE 208 N -1.78 4.61 -0.22 -0.18 1.01 -0.84 -0.89 121.20 122.91 3itk s ILE 208 Ca 0.34 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 3itk s ILE 208 Cb 0.20 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3itk s ILE 208 CO 0.30 0.01 0.06 -0.22 0.00 0.00 0.00 174.94 175.09 3itk s LEU 209 N 1.60 3.58 -0.09 2.97 2.96 0.78 -4.96 118.68 125.52 3itk s LEU 209 Ca 0.04 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3itk s LEU 209 Cb -0.17 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3itk s LEU 209 CO 0.06 0.06 -0.02 0.42 -1.32 0.00 0.00 176.35 175.56 3itk s THR 210 N 1.03 4.14 0.29 3.68 -4.23 -1.26 -1.35 115.64 117.93 3itk s THR 210 Ca 0.04 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 3itk s THR 210 Cb -0.14 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 3itk s THR 210 CO 0.03 0.59 0.33 0.35 -0.54 0.00 0.00 174.62 175.38 3itk n THR 211 N 2.28 0.00 -1.81 3.99 -2.24 -0.33 -4.97 114.28 111.20 3itk n THR 211 Ca -0.18 -1.74 -0.30 0.00 -2.27 0.00 0.00 64.05 59.55 3itk n THR 211 Cb 0.53 0.97 0.06 0.00 -2.10 0.00 0.00 70.33 69.79 3itk n THR 211 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itk s ASN 212 N -2.88 5.17 0.19 3.42 2.20 -1.26 -1.53 114.94 120.26 3itk s ASN 212 Ca 0.29 1.14 -0.09 0.00 -0.94 0.00 0.00 52.86 53.25 3itk s ASN 212 Cb 0.00 -1.90 0.12 0.00 -2.00 0.00 0.00 41.25 37.47 3itk s ASN 212 CO 0.20 -1.52 1.74 0.74 -2.94 0.00 0.00 177.10 175.32 3itk h THR 213 N -0.78 1.25 -0.27 0.54 2.02 -1.78 -2.42 112.91 111.47 3itk h THR 213 Ca -0.45 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 65.75 3itk h THR 213 Cb 1.26 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3itk h THR 213 CO 0.63 0.34 -0.35 -0.50 0.37 0.00 0.00 175.52 176.00 3itk h TRP 214 N 1.03 0.71 -0.85 3.16 6.55 -1.94 -2.32 115.95 122.28 3itk h TRP 214 Ca 0.23 -0.19 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 3itk h TRP 214 Cb 0.27 -0.16 -0.04 0.00 -0.86 0.00 0.00 29.16 28.38 3itk h TRP 214 CO 0.02 0.87 0.41 0.77 -1.05 0.00 0.00 178.44 179.47 3itk h SER 215 N 0.51 1.11 0.01 -3.49 0.02 -1.85 -1.15 113.55 108.72 3itk h SER 215 Ca 0.05 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3itk h SER 215 Cb 0.85 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3itk h SER 215 CO 0.07 0.93 -0.01 -1.28 -1.14 0.00 0.00 176.83 175.41 3itk h SER 216 N 1.21 -0.02 -0.68 3.07 0.87 -1.20 0.92 113.55 117.72 3itk h SER 216 Ca 0.29 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3itk h SER 216 Cb 0.11 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3itk h SER 216 CO -0.04 0.26 0.45 -0.33 -0.53 0.00 0.00 176.83 176.64 3itk h GLU 217 N -0.30 0.88 -0.44 2.24 5.08 -1.30 -2.83 114.58 117.92 3itk h GLU 217 Ca -0.00 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3itk h GLU 217 Cb 0.29 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3itk h GLU 217 CO 0.00 0.59 -0.17 1.25 -1.00 0.00 0.00 179.01 179.68 3itk h LEU 218 N 0.91 0.85 -1.13 1.33 5.85 -1.03 -2.86 115.31 119.22 3itk h LEU 218 Ca 0.25 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3itk h LEU 218 Cb -0.10 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 3itk h LEU 218 CO -0.06 1.01 0.59 0.28 -0.34 0.00 0.00 178.44 179.92 3itk h SER 219 N 0.75 0.95 0.34 1.25 0.02 -0.58 0.28 113.55 116.56 3itk h SER 219 Ca 0.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3itk h SER 219 Cb 0.68 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3itk h SER 219 CO 0.05 0.64 -0.16 0.50 -1.14 0.00 0.00 176.83 176.72 3itk h LYS 220 N 1.10 -0.44 -0.24 3.45 1.63 -1.34 0.03 116.57 120.75 3itk h LYS 220 Ca 0.37 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.21 3itk h LYS 220 Cb 0.08 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3itk h LYS 220 CO -0.12 -0.25 0.12 -0.07 -3.45 0.00 0.00 179.45 175.68 3itk h LEU 221 N -0.53 0.18 -1.18 5.20 3.38 -1.41 -3.02 115.31 117.95 3itk h LEU 221 Ca -0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3itk h LEU 221 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3itk h LEU 221 CO 0.08 0.14 0.14 0.00 0.09 0.00 0.00 178.44 178.88 3itk h ALA 222 N 1.12 1.34 -0.53 1.53 0.00 -0.33 -1.98 119.26 120.41 3itk h ALA 222 Ca 0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3itk h ALA 222 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3itk h ALA 222 CO -0.06 0.47 0.10 0.00 0.00 0.00 0.00 179.25 179.76 3itk h ALA 223 N 1.46 0.70 0.00 0.00 0.00 -0.86 -0.39 119.26 120.16 3itk h ALA 223 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3itk h ALA 223 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3itk h ALA 223 CO -0.01 0.42 -0.59 -0.91 0.00 0.00 0.00 179.25 178.16 3itk h ASN 224 N 0.75 0.00 -0.59 0.00 2.35 -1.44 -1.85 115.58 114.79 3itk h ASN 224 Ca 0.16 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3itk h ASN 224 Cb 0.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3itk h ASN 224 CO 0.01 0.59 -0.01 0.00 -1.65 0.00 0.00 177.43 176.37 3itk h ALA 225 N 1.41 0.80 -0.57 -0.83 0.00 -1.09 0.59 119.26 119.57 3itk h ALA 225 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3itk h ALA 225 Cb 1.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3itk h ALA 225 CO 0.08 0.65 -0.07 0.74 0.00 0.00 0.00 179.25 180.65 3itk h PHE 226 N 0.95 1.17 -0.24 0.00 -1.00 -0.89 0.53 116.94 117.46 3itk h PHE 226 Ca 0.17 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 3itk h PHE 226 Cb 0.56 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 3itk h PHE 226 CO 0.04 1.06 0.03 -0.07 -1.61 0.00 0.00 178.31 177.76 3itk h LEU 227 N 0.94 0.39 -1.27 1.54 3.38 -1.24 -2.69 115.31 116.37 3itk h LEU 227 Ca 0.15 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3itk h LEU 227 Cb 0.64 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3itk h LEU 227 CO 0.04 0.56 -0.01 0.00 0.09 0.00 0.00 178.44 179.12 3itk h ALA 228 N 0.84 1.41 -0.46 1.53 0.00 -0.73 -2.56 119.26 119.29 3itk h ALA 228 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3itk h ALA 228 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3itk h ALA 228 CO 0.01 0.41 0.08 0.37 0.00 0.00 0.00 179.25 180.13 3itk h GLN 229 N 0.45 0.70 -0.53 0.00 4.15 -0.62 -2.18 115.11 117.07 3itk h GLN 229 Ca 0.10 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 3itk h GLN 229 Cb 0.32 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3itk h GLN 229 CO 0.01 0.66 0.16 0.00 -1.93 0.00 0.00 178.83 177.73 3itk h ARG 230 N 0.67 0.80 -0.03 1.69 3.08 -1.14 0.16 114.38 119.62 3itk h ARG 230 Ca 0.15 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3itk h ARG 230 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3itk h ARG 230 CO 0.00 0.69 -0.05 0.82 -1.07 0.00 0.00 179.97 180.37 3itk h ILE 231 N 0.78 1.44 -0.13 2.04 2.04 -1.46 -1.59 117.51 120.62 3itk h ILE 231 Ca 0.18 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 3itk h ILE 231 Cb 0.23 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 3itk h ILE 231 CO -0.01 0.36 -0.10 0.28 0.00 0.00 0.00 178.15 178.69 3itk h SER 232 N -0.45 0.18 -0.07 1.72 0.02 -1.22 0.15 113.55 113.88 3itk h SER 232 Ca 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3itk h SER 232 Cb 0.62 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 3itk h SER 232 CO 0.01 0.31 -0.04 0.28 -1.14 0.00 0.00 176.83 176.25 3itk h SER 233 N 0.19 0.16 0.41 3.07 0.02 -0.59 0.25 113.55 117.07 3itk h SER 233 Ca 0.04 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.45 3itk h SER 233 Cb 0.30 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3itk h SER 233 CO 0.02 0.57 -0.46 -0.29 -1.14 0.00 0.00 176.83 175.52 3itk h ILE 234 N -0.24 1.33 -0.56 3.27 6.09 -0.89 -1.71 117.51 124.81 3itk h ILE 234 Ca 0.01 -1.59 -0.06 0.00 -1.37 0.00 0.00 64.86 61.86 3itk h ILE 234 Cb 0.51 1.82 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 3itk h ILE 234 CO 0.01 0.46 0.11 0.78 -3.07 0.00 0.00 178.15 176.44 3itk h ASN 235 N 0.05 0.82 -0.75 2.19 2.35 -0.64 -0.96 115.58 118.65 3itk h ASN 235 Ca 0.00 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3itk h ASN 235 Cb 0.83 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 3itk h ASN 235 CO 0.06 0.82 0.24 0.77 -1.65 0.00 0.00 177.43 177.68 3itk h SER 236 N 0.83 1.08 -0.28 5.81 4.64 -0.08 -1.86 113.55 123.70 3itk h SER 236 Ca 0.18 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3itk h SER 236 Cb 0.34 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3itk h SER 236 CO 0.00 1.00 0.09 0.40 -0.87 0.00 0.00 176.83 177.45 3itk h ILE 237 N 1.11 1.16 -0.96 0.95 1.08 -1.05 -2.54 117.51 117.26 3itk h ILE 237 Ca 0.24 -0.56 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3itk h ILE 237 Cb 0.29 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 3itk h ILE 237 CO -0.01 0.20 0.63 0.77 -0.69 0.00 0.00 178.15 179.06 3itk h SER 238 N 0.50 1.08 -0.48 1.72 4.64 -0.33 -0.06 113.55 120.62 3itk h SER 238 Ca 0.12 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3itk h SER 238 Cb 0.18 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3itk h SER 238 CO -0.00 0.76 0.22 0.00 -0.87 0.00 0.00 176.83 176.94 3itk h ALA 239 N 1.42 0.62 -0.51 5.18 0.00 -1.28 -1.87 119.26 122.82 3itk h ALA 239 Ca 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3itk h ALA 239 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3itk h ALA 239 CO -0.09 0.19 0.17 1.25 0.00 0.00 0.00 179.25 180.76 3itk h LEU 240 N 0.63 0.69 -0.56 0.00 5.85 -1.32 -2.76 115.31 117.84 3itk h LEU 240 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3itk h LEU 240 Cb 0.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3itk h LEU 240 CO -0.02 0.65 0.12 0.00 -0.34 0.00 0.00 178.44 178.86 3itk h GLU 242 N 0.80 0.34 0.00 0.00 5.08 -1.19 0.25 114.58 119.86 3itk h GLU 242 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3itk h GLU 242 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3itk h GLU 242 CO 0.00 0.28 -0.55 0.00 -1.00 0.00 0.00 179.01 177.75 3itk h ALA 243 N 1.78 0.75 0.00 3.43 0.00 -1.20 -3.39 119.26 120.62 3itk h ALA 243 Ca 0.09 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3itk h ALA 243 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3itk h ALA 243 CO -0.01 0.17 -1.48 0.25 0.00 0.00 0.00 179.25 178.17 3itk n THR 244 N -2.95 0.48 0.00 0.00 -2.24 -0.93 -5.03 114.28 103.60 3itk n THR 244 Ca 0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3itk n THR 244 Cb 0.59 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3itk n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itk n GLY 245 N 2.55 0.57 3.71 3.38 0.00 0.03 -5.08 105.19 110.35 3itk n GLY 245 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3itk n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk s ALA 246 N -2.00 1.73 -0.15 4.61 0.00 -1.22 -4.84 121.76 119.89 3itk s ALA 246 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3itk s ALA 246 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3itk s ALA 246 CO 0.00 -2.35 -0.18 0.34 0.00 0.00 0.00 175.76 173.57 3itk s ASP 247 N -3.04 3.41 0.49 0.00 -1.08 -1.26 -4.44 116.67 110.75 3itk s ASP 247 Ca 0.64 -0.53 0.18 0.00 -0.52 0.00 0.00 52.55 52.32 3itk s ASP 247 Cb -0.20 -1.51 1.21 0.00 -1.46 0.00 0.00 42.92 40.96 3itk s ASP 247 CO 0.57 0.08 2.07 1.62 0.52 0.00 0.00 175.17 180.03 3itk h VAL 248 N 5.74 0.97 -0.08 1.11 3.04 -1.62 -1.46 116.25 123.94 3itk h VAL 248 Ca -0.32 -0.39 -0.20 0.00 -1.01 0.00 0.00 66.70 64.77 3itk h VAL 248 Cb 1.19 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3itk h VAL 248 CO 0.56 0.11 -0.78 -0.33 -1.01 0.00 0.00 177.57 176.12 3itk h GLU 249 N 0.00 0.50 -0.27 4.17 4.39 -1.93 0.56 114.58 122.01 3itk h GLU 249 Ca -0.00 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3itk h GLU 249 Cb 0.21 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3itk h GLU 249 CO 0.01 1.06 0.13 0.93 -1.16 0.00 0.00 179.01 179.99 3itk h GLU 250 N 0.33 0.39 -0.59 2.33 5.08 -1.78 -1.84 114.58 118.50 3itk h GLU 250 Ca -0.05 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3itk h GLU 250 Cb 1.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3itk h GLU 250 CO 0.14 0.38 0.12 0.28 -1.00 0.00 0.00 179.01 178.93 3itk h VAL 251 N 0.30 1.25 -0.76 3.13 2.07 -1.15 -1.56 116.25 119.53 3itk h VAL 251 Ca 0.09 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 3itk h VAL 251 Cb 0.12 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3itk h VAL 251 CO -0.01 0.35 0.29 0.00 0.02 0.00 0.00 177.57 178.22 3itk h ALA 252 N 1.02 1.08 -0.40 1.67 0.00 -0.84 -0.32 119.26 121.47 3itk h ALA 252 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3itk h ALA 252 Cb 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3itk h ALA 252 CO 0.01 0.65 0.15 1.15 0.00 0.00 0.00 179.25 181.21 3itk h THR 253 N 1.11 1.20 -0.49 0.00 2.02 -1.03 -0.58 112.91 115.14 3itk h THR 253 Ca 0.25 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3itk h THR 253 Cb 0.23 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3itk h THR 253 CO -0.02 0.23 0.21 0.00 0.37 0.00 0.00 175.52 176.31 3itk h ALA 254 N 1.00 0.64 -0.16 6.16 0.00 -0.77 -2.25 119.26 123.87 3itk h ALA 254 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3itk h ALA 254 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3itk h ALA 254 CO -0.01 0.23 0.03 0.82 0.00 0.00 0.00 179.25 180.32 3itk h ILE 255 N 0.65 1.21 0.00 0.00 2.04 -0.99 -3.25 117.51 117.17 3itk h ILE 255 Ca 0.17 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3itk h ILE 255 Cb 0.17 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3itk h ILE 255 CO -0.02 0.20 0.00 1.23 0.00 0.00 0.00 178.15 179.56 3itk h GLY 256 N 0.06 0.00 2.00 5.37 0.00 -0.90 -2.51 103.07 107.10 3itk h GLY 256 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3itk h GLY 256 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.21 3itk h MET 257 N 0.00 0.00 -6.28 4.80 2.86 -1.44 -3.01 114.93 111.86 3itk h MET 257 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 3itk h MET 257 Cb 0.38 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3itk h MET 257 CO 0.00 0.00 1.11 0.34 1.06 0.00 0.00 176.91 179.42 3itk s ASP 258 N -5.11 6.44 0.48 1.22 -1.08 -0.95 -4.88 116.67 112.78 3itk s ASP 258 Ca 0.06 1.66 0.32 0.00 -0.52 0.00 0.00 52.55 54.08 3itk s ASP 258 Cb 0.09 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.58 3itk s ASP 258 CO 0.55 -1.20 1.98 1.56 0.52 0.00 0.00 175.17 178.58 3itk h GLN 259 N 10.47 0.00 0.00 4.34 4.20 -1.88 -0.36 115.11 131.88 3itk h GLN 259 Ca -0.34 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.29 3itk h GLN 259 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3itk h GLN 259 CO 1.00 0.00 -0.39 0.00 -0.67 0.00 0.00 178.83 178.77 3itk h ARG 260 N 0.00 0.00 0.04 1.46 3.08 -1.93 -3.32 114.38 113.70 3itk h ARG 260 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 3itk h ARG 260 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3itk h ARG 260 CO 0.00 0.39 -1.72 -0.89 -1.07 0.00 0.00 179.97 176.68 3itk n ILE 261 N -3.40 1.60 0.00 2.04 5.41 -0.30 -5.12 119.36 119.60 3itk n ILE 261 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3itk n ILE 261 Cb 0.57 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 3itk n ILE 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3itk n GLY 262 N 1.62 -1.66 1.10 7.39 0.00 -0.31 -4.82 105.19 108.51 3itk n GLY 262 Ca -0.36 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.21 3itk n GLY 262 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3itk n ASN 263 N -1.79 3.57 -4.88 1.61 0.23 -1.14 -4.30 115.26 108.56 3itk n ASN 263 Ca 0.00 -1.99 -0.32 0.00 -0.53 0.00 0.00 54.58 51.74 3itk n ASN 263 Cb 0.00 -0.39 -0.05 0.00 -2.08 0.00 0.00 39.78 37.26 3itk n ASN 263 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3itk s LYS 264 N -1.03 3.72 -1.42 -3.83 -0.14 -1.26 -4.38 119.74 111.40 3itk s LYS 264 Ca 0.40 0.12 -0.06 0.00 -1.36 0.00 0.00 55.97 55.06 3itk s LYS 264 Cb 0.21 -2.76 0.01 0.00 -1.68 0.00 0.00 37.83 33.61 3itk s LYS 264 CO 0.27 0.40 0.79 1.19 -0.76 0.00 0.00 175.35 177.24 3itk n PHE 265 N 0.03 -2.22 -2.06 3.18 3.72 -1.26 -4.90 117.46 113.95 3itk n PHE 265 Ca -0.01 0.68 -0.06 0.00 -0.05 0.00 0.00 57.45 58.01 3itk n PHE 265 Cb 0.52 -4.55 0.09 0.00 -0.94 0.00 0.00 39.48 34.60 3itk n PHE 265 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3itk n LEU 266 N -4.22 3.11 -4.34 4.37 4.77 -1.26 -3.88 117.00 115.55 3itk n LEU 266 Ca -0.06 -3.82 -0.40 0.00 -0.03 0.00 0.00 56.01 51.70 3itk n LEU 266 Cb 0.59 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 3itk n LEU 266 CO 0.52 1.48 -0.17 -0.75 -1.33 0.00 0.00 177.39 177.13 3itk s LYS 267 N -3.00 2.75 0.54 3.23 2.47 -1.26 -4.84 119.74 119.62 3itk s LYS 267 Ca 0.41 -1.14 -0.22 0.00 -1.56 0.00 0.00 55.97 53.45 3itk s LYS 267 Cb 0.38 -3.68 -0.05 0.00 -1.46 0.00 0.00 37.83 33.02 3itk s LYS 267 CO -0.04 -0.72 1.37 0.00 0.16 0.00 0.00 175.35 176.12 3itk s ALA 268 N 1.51 2.86 0.32 3.13 0.00 -1.26 -4.95 121.76 123.37 3itk s ALA 268 Ca 0.01 1.36 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 3itk s ALA 268 Cb -0.20 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.38 3itk s ALA 268 CO 0.05 -1.37 0.66 -1.54 0.00 0.00 0.00 175.76 173.57 3itk s SER 269 N -0.90 0.04 0.57 0.00 1.04 -1.26 -4.73 113.70 108.45 3itk s SER 269 Ca 0.71 -0.99 0.32 0.00 0.48 0.00 0.00 55.95 56.46 3itk s SER 269 Cb -0.41 0.74 1.72 0.00 0.10 0.00 0.00 66.02 68.16 3itk s SER 269 CO 0.49 -1.42 2.16 1.62 0.98 0.00 0.00 173.24 177.07 3itk h VAL 270 N 2.07 0.40 0.00 5.02 3.04 -1.51 -3.47 116.25 121.80 3itk h VAL 270 Ca -0.26 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3itk h VAL 270 Cb 1.25 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3itk h VAL 270 CO 0.34 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.57 3itk n GLY 271 N -0.85 3.80 3.78 3.17 0.00 -1.26 -3.03 105.19 110.80 3itk n GLY 271 Ca -0.02 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3itk n GLY 271 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3itk s PHE 272 N -1.95 2.70 0.00 1.61 -0.12 -1.26 -4.60 117.98 114.35 3itk s PHE 272 Ca 0.00 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.42 3itk s PHE 272 Cb 0.00 -3.16 0.00 0.00 -0.63 0.00 0.00 43.02 39.23 3itk s PHE 272 CO 0.00 -1.56 0.00 0.41 -0.05 0.00 0.00 175.22 174.02 3itk n GLY 273 N -0.47 5.19 0.00 1.99 0.00 -1.26 -4.69 105.19 105.95 3itk n GLY 273 Ca 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3itk n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itk n GLY 274 N 0.27 1.12 0.47 -0.02 0.00 0.79 -4.60 105.19 103.21 3itk n GLY 274 Ca 0.00 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.17 3itk n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itk n SER 275 N -0.26 1.39 -0.03 1.61 3.41 -1.26 -4.33 113.62 114.15 3itk n SER 275 Ca 0.00 -1.81 -0.08 0.00 -0.26 0.00 0.00 58.87 56.72 3itk n SER 275 Cb 0.00 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3itk n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3itk h PHE 277 N -0.42 -1.12 -0.59 0.00 0.04 -1.81 -0.85 116.94 112.20 3itk h PHE 277 Ca -0.15 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.61 3itk h PHE 277 Cb 0.85 0.37 -0.03 0.00 2.20 0.00 0.00 35.95 39.34 3itk h PHE 277 CO -0.11 -0.69 0.37 0.37 -0.60 0.00 0.00 178.31 177.65 3itk h GLN 278 N -1.30 0.73 -0.14 1.51 4.15 -1.89 -2.35 115.11 115.82 3itk h GLN 278 Ca -0.12 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.27 3itk h GLN 278 Cb 0.93 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 3itk h GLN 278 CO 0.20 0.48 0.04 -0.22 -1.93 0.00 0.00 178.83 177.41 3itk h LYS 279 N 0.75 0.11 -0.56 1.69 3.64 -1.78 -1.15 116.57 119.27 3itk h LYS 279 Ca 0.23 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3itk h LYS 279 Cb -0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3itk h LYS 279 CO -0.08 0.07 0.18 -0.44 -2.27 0.00 0.00 179.45 176.92 3itk h ASP 280 N 0.11 0.81 -0.42 4.20 5.19 -1.13 -0.07 116.42 125.12 3itk h ASP 280 Ca 0.06 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.17 3itk h ASP 280 Cb 0.04 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3itk h ASP 280 CO -0.07 0.79 -0.10 0.58 -3.12 0.00 0.00 179.24 177.33 3itk h VAL 281 N 0.78 1.26 -0.06 -1.35 2.07 -1.09 -0.18 116.25 117.69 3itk h VAL 281 Ca 0.18 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.35 3itk h VAL 281 Cb 0.27 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3itk h VAL 281 CO -0.01 0.41 -0.68 -0.07 0.02 0.00 0.00 177.57 177.25 3itk h LEU 282 N 0.78 0.31 -0.04 2.57 3.38 -1.08 -0.93 115.31 120.31 3itk h LEU 282 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3itk h LEU 282 Cb 0.60 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3itk h LEU 282 CO 0.04 0.89 0.03 -1.13 0.09 0.00 0.00 178.44 178.36 3itk h ASN 283 N 0.18 0.05 -0.93 -0.43 -0.00 -0.56 -1.47 115.58 112.43 3itk h ASN 283 Ca -0.02 -0.01 0.09 0.00 -0.00 0.00 0.00 56.30 56.36 3itk h ASN 283 Cb 1.22 -0.01 -0.07 0.00 -0.00 0.00 0.00 38.32 39.45 3itk h ASN 283 CO 0.11 0.05 0.57 0.25 -0.00 0.00 0.00 177.43 178.41 3itk h LEU 284 N 0.04 0.87 -0.55 0.34 5.85 -0.97 -0.25 115.31 120.64 3itk h LEU 284 Ca 0.01 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3itk h LEU 284 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3itk h LEU 284 CO -0.00 0.51 0.15 0.58 -0.34 0.00 0.00 178.44 179.34 3itk h VAL 285 N 0.98 1.24 -0.12 1.05 2.07 -0.95 -1.98 116.25 118.53 3itk h VAL 285 Ca 0.43 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3itk h VAL 285 Cb 0.31 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3itk h VAL 285 CO -0.22 0.31 0.03 0.22 0.02 0.00 0.00 177.57 177.93 3itk h TYR 286 N 0.77 0.21 -0.48 1.57 3.20 -0.54 -1.82 116.97 119.87 3itk h TYR 286 Ca 0.17 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.11 3itk h TYR 286 Cb 0.31 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 3itk h TYR 286 CO 0.02 0.37 0.04 1.25 -1.64 0.00 0.00 178.16 178.20 3itk h LEU 287 N -0.01 -0.12 -0.41 2.82 5.85 -1.01 -1.16 115.31 121.27 3itk h LEU 287 Ca 0.04 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3itk h LEU 287 Cb 0.26 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3itk h LEU 287 CO 0.00 -0.03 0.11 0.00 -0.34 0.00 0.00 178.44 178.18 3itk h GLU 289 N 0.25 1.06 0.00 0.00 5.08 -0.44 -0.99 114.58 119.54 3itk h GLU 289 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3itk h GLU 289 Cb 0.22 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3itk h GLU 289 CO -0.24 0.70 -0.10 0.00 -1.00 0.00 0.00 179.01 178.38 3itk h ALA 290 N 1.47 1.07 -0.45 3.43 0.00 -0.69 -2.26 119.26 121.82 3itk h ALA 290 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3itk h ALA 290 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3itk h ALA 290 CO -0.20 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3itk n LEU 291 N -3.30 3.99 -3.25 0.00 4.77 -0.49 -4.96 117.00 113.75 3itk n LEU 291 Ca -0.00 -2.47 -0.16 0.00 -0.03 0.00 0.00 56.01 53.35 3itk n LEU 291 Cb 0.31 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3itk n LEU 291 CO 0.29 0.75 0.09 0.59 -1.33 0.00 0.00 177.39 177.78 3itk n ASN 292 N 0.50 -2.84 -3.13 -1.43 3.02 -0.85 -4.94 115.26 105.59 3itk n ASN 292 Ca 0.20 -0.60 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 3itk n ASN 292 Cb 0.76 -4.86 -0.04 0.00 -0.61 0.00 0.00 39.78 35.02 3itk n ASN 292 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3itk n LEU 293 N -3.78 2.39 0.21 3.41 4.77 -0.53 -4.94 117.00 118.53 3itk n LEU 293 Ca -0.23 -5.26 0.04 0.00 -0.03 0.00 0.00 56.01 50.53 3itk n LEU 293 Cb 0.65 0.09 0.44 0.00 -2.33 0.00 0.00 43.42 42.28 3itk n LEU 293 CO 0.57 2.26 0.82 1.55 -1.33 0.00 0.00 177.39 181.26 3itk h PRO 294 N 3.25 0.00 -0.39 3.23 0.13 -1.91 -0.66 132.00 135.66 3itk h PRO 294 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 3itk h PRO 294 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3itk h PRO 294 CO 0.65 0.27 -0.22 0.93 -0.23 0.00 0.00 178.00 179.40 3itk h GLU 295 N 0.00 0.77 -0.15 0.86 3.07 -1.96 -0.37 114.58 116.80 3itk h GLU 295 Ca -0.00 -0.31 -0.22 0.00 -0.50 0.00 0.00 59.36 58.33 3itk h GLU 295 Cb 0.48 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3itk h GLU 295 CO 0.03 0.92 -0.78 0.28 -1.40 0.00 0.00 179.01 178.06 3itk h VAL 296 N 0.67 1.29 -0.24 3.13 2.07 -1.82 -1.97 116.25 119.37 3itk h VAL 296 Ca 0.09 -1.99 0.05 0.00 0.82 0.00 0.00 66.70 65.67 3itk h VAL 296 Cb 0.73 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 3itk h VAL 296 CO 0.06 0.63 -0.08 0.00 0.02 0.00 0.00 177.57 178.19 3itk h ALA 297 N 0.59 0.13 0.00 1.67 0.00 -0.98 -2.06 119.26 118.61 3itk h ALA 297 Ca -0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3itk h ALA 297 Cb 1.40 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3itk h ALA 297 CO 0.16 -0.49 -0.30 0.07 0.00 0.00 0.00 179.25 178.68 3itk h ARG 298 N -0.03 0.00 0.12 0.00 0.11 -0.97 -1.06 114.38 112.54 3itk h ARG 298 Ca 0.12 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 3itk h ARG 298 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3itk h ARG 298 CO -0.27 0.30 -0.06 -0.92 0.10 0.00 0.00 179.97 179.12 3itk h TYR 299 N 0.00 -0.15 0.00 4.08 3.20 -0.96 -3.15 116.97 119.99 3itk h TYR 299 Ca -0.00 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 3itk h TYR 299 Cb 0.83 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3itk h TYR 299 CO 0.00 0.07 -0.71 -1.49 -1.64 0.00 0.00 178.16 174.39 3itk h TRP 300 N -0.35 0.00 -0.61 -3.82 4.06 -1.16 -3.04 115.95 111.04 3itk h TRP 300 Ca -0.02 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.04 3itk h TRP 300 Cb 0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.41 3itk h TRP 300 CO -0.01 0.71 0.41 0.37 -3.56 0.00 0.00 178.44 176.35 3itk h GLN 301 N 0.00 0.35 -0.29 0.49 5.75 -1.16 -0.86 115.11 119.38 3itk h GLN 301 Ca -0.01 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3itk h GLN 301 Cb 1.31 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 3itk h GLN 301 CO 0.09 0.23 0.27 1.96 -2.65 0.00 0.00 178.83 178.73 3itk h GLN 302 N 0.36 0.00 -0.40 1.69 1.08 -1.50 -0.86 115.11 115.48 3itk h GLN 302 Ca 0.28 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 3itk h GLN 302 Cb 0.63 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 3itk h GLN 302 CO -0.07 0.00 0.20 0.28 -0.95 0.00 0.00 178.83 178.29 3itk h VAL 303 N 0.00 1.16 -0.13 -0.54 2.07 -1.34 -1.11 116.25 116.37 3itk h VAL 303 Ca 0.14 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 3itk h VAL 303 Cb 0.67 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3itk h VAL 303 CO -0.00 0.17 -0.45 0.40 0.02 0.00 0.00 177.57 177.71 3itk h ILE 304 N 0.51 1.36 -0.58 4.57 1.08 -1.38 -2.85 117.51 120.22 3itk h ILE 304 Ca 0.14 -1.74 -0.01 0.00 -0.39 0.00 0.00 64.86 62.86 3itk h ILE 304 Cb 0.09 2.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 3itk h ILE 304 CO -0.02 0.53 0.33 0.44 -0.69 0.00 0.00 178.15 178.74 3itk h ASP 305 N 0.15 0.70 -0.28 1.72 5.19 -1.14 -0.99 116.42 121.77 3itk h ASP 305 Ca -0.02 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.27 3itk h ASP 305 Cb 1.07 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 3itk h ASP 305 CO 0.09 0.56 -0.14 -0.03 -3.12 0.00 0.00 179.24 176.60 3itk h MET 306 N 0.80 0.59 -0.78 3.56 4.05 -1.22 -0.91 114.93 121.02 3itk h MET 306 Ca 0.21 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3itk h MET 306 Cb 0.00 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 3itk h MET 306 CO -0.04 0.83 0.44 -0.97 0.23 0.00 0.00 176.91 177.40 3itk h ASN 307 N 0.33 0.95 -0.20 1.39 -1.24 -1.23 0.59 115.58 116.17 3itk h ASN 307 Ca 0.06 -0.08 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 3itk h ASN 307 Cb 0.65 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 3itk h ASN 307 CO 0.04 0.76 -0.09 0.44 -1.29 0.00 0.00 177.43 177.29 3itk h ASP 308 N 1.07 0.55 -0.40 1.15 3.32 -1.06 -2.17 116.42 118.88 3itk h ASP 308 Ca 0.27 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3itk h ASP 308 Cb 0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3itk h ASP 308 CO -0.05 0.68 -0.06 0.22 -1.72 0.00 0.00 179.24 178.32 3itk h TYR 309 N 0.53 0.82 -0.41 4.55 3.20 -0.28 -0.75 116.97 124.63 3itk h TYR 309 Ca 0.10 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.81 3itk h TYR 309 Cb 0.48 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3itk h TYR 309 CO 0.02 0.85 0.27 0.37 -1.64 0.00 0.00 178.16 178.03 3itk h GLN 310 N 0.56 0.53 -0.07 1.82 5.75 -0.70 0.70 115.11 123.69 3itk h GLN 310 Ca 0.11 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3itk h GLN 310 Cb 0.56 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3itk h GLN 310 CO 0.03 0.35 -0.04 0.00 -2.65 0.00 0.00 178.83 176.52 3itk h ARG 311 N 0.54 -0.04 -0.83 1.69 3.08 -1.31 -2.70 114.38 114.82 3itk h ARG 311 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3itk h ARG 311 Cb -0.05 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3itk h ARG 311 CO -0.04 -0.03 0.44 -0.09 -1.07 0.00 0.00 179.97 179.18 3itk h ARG 312 N -0.04 1.18 -0.02 0.04 2.43 -0.39 -2.15 114.38 115.44 3itk h ARG 312 Ca 0.04 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 3itk h ARG 312 Cb 0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3itk h ARG 312 CO -0.10 0.88 -0.78 0.07 -1.51 0.00 0.00 179.97 178.54 3itk h ARG 313 N 1.17 0.16 0.01 0.20 0.11 -0.86 -0.07 114.38 115.10 3itk h ARG 313 Ca 0.29 -0.15 -0.00 0.00 0.10 0.00 0.00 59.98 60.22 3itk h ARG 313 Cb 0.06 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3itk h ARG 313 CO -0.04 0.86 -0.00 0.35 0.10 0.00 0.00 179.97 181.23 3itk h PHE 314 N 0.10 -0.01 -0.52 4.08 3.57 -1.16 -1.08 116.94 121.92 3itk h PHE 314 Ca -0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3itk h PHE 314 Cb 1.36 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.08 3itk h PHE 314 CO 0.02 0.09 0.27 0.00 -2.23 0.00 0.00 178.31 176.47 3itk h ALA 315 N 0.88 1.51 -0.27 2.41 0.00 -1.17 -1.79 119.26 120.83 3itk h ALA 315 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3itk h ALA 315 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3itk h ALA 315 CO 0.00 0.41 -0.28 0.77 0.00 0.00 0.00 179.25 180.15 3itk h SER 316 N 0.72 0.54 -0.55 0.00 0.02 -0.74 -1.62 113.55 111.92 3itk h SER 316 Ca 0.18 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3itk h SER 316 Cb 0.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3itk h SER 316 CO -0.03 0.80 0.29 0.03 -1.14 0.00 0.00 176.83 176.78 3itk h ARG 317 N 0.46 0.77 0.07 3.45 3.08 -0.35 0.17 114.38 122.03 3itk h ARG 317 Ca 0.06 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3itk h ARG 317 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3itk h ARG 317 CO 0.06 0.61 -0.03 0.82 -1.07 0.00 0.00 179.97 180.35 3itk h ILE 318 N 0.74 0.96 -0.57 2.04 2.04 -1.28 -0.98 117.51 120.46 3itk h ILE 318 Ca 0.19 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 3itk h ILE 318 Cb 0.07 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3itk h ILE 318 CO -0.03 0.02 0.01 0.40 0.00 0.00 0.00 178.15 178.55 3itk h ILE 319 N -0.13 1.26 -0.66 -0.67 2.04 -1.11 -2.00 117.51 116.25 3itk h ILE 319 Ca -0.01 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 3itk h ILE 319 Cb 0.11 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3itk h ILE 319 CO 0.02 0.40 0.27 0.44 0.00 0.00 0.00 178.15 179.28 3itk h ASP 320 N 0.89 0.90 0.02 1.72 3.32 -0.62 -0.27 116.42 122.38 3itk h ASP 320 Ca 0.16 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3itk h ASP 320 Cb 0.54 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3itk h ASP 320 CO 0.03 0.82 -0.02 0.28 -1.72 0.00 0.00 179.24 178.63 3itk h SER 321 N 0.92 0.00 -0.49 6.45 0.02 -0.77 -1.32 113.55 118.36 3itk h SER 321 Ca 0.22 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 3itk h SER 321 Cb 0.20 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.61 3itk h SER 321 CO -0.02 0.02 0.27 0.18 -1.14 0.00 0.00 176.83 176.14 3itk n LEU 322 N -4.45 4.71 -1.54 5.07 4.77 -0.79 -4.88 117.00 119.89 3itk n LEU 322 Ca -0.03 -2.46 -0.16 0.00 -0.03 0.00 0.00 56.01 53.34 3itk n LEU 322 Cb 0.11 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 3itk n LEU 322 CO 0.34 0.72 -0.18 0.49 -1.33 0.00 0.00 177.39 177.42 3itk n PHE 323 N -0.22 -0.44 -1.69 -1.77 0.99 -0.50 -2.48 117.46 111.36 3itk n PHE 323 Ca 0.29 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.56 3itk n PHE 323 Cb 1.06 -3.02 -0.06 0.00 -1.00 0.00 0.00 39.48 36.46 3itk n PHE 323 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3itk n ASN 324 N -0.79 -5.15 -3.69 4.37 5.15 -0.15 -4.99 115.26 110.02 3itk n ASN 324 Ca -0.17 0.34 -0.17 0.00 -0.60 0.00 0.00 54.58 53.98 3itk n ASN 324 Cb 0.59 -4.22 -0.16 0.00 -0.53 0.00 0.00 39.78 35.46 3itk n ASN 324 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3itk s THR 325 N -2.71 -0.15 0.00 -0.44 -1.32 -1.04 -5.02 115.64 104.97 3itk s THR 325 Ca 0.00 0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 3itk s THR 325 Cb 0.00 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.79 3itk s THR 325 CO 0.00 0.14 0.67 0.52 -2.21 0.00 0.00 174.62 173.75 3itk n VAL 326 N 5.02 0.44 -1.68 5.08 0.31 -1.26 -4.90 118.33 121.35 3itk n VAL 326 Ca -0.10 -0.51 -0.46 0.00 -0.01 0.00 0.00 64.34 63.27 3itk n VAL 326 Cb 0.50 0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 34.27 3itk n VAL 326 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3itk n THR 327 N -0.22 0.25 -1.18 2.52 -1.04 -1.02 -1.08 114.28 112.51 3itk n THR 327 Ca 0.00 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 3itk n THR 327 Cb 0.30 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 3itk n THR 327 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3itk n ASP 328 N 4.88 -5.65 -4.71 8.00 8.00 -0.58 -4.92 116.55 121.57 3itk n ASP 328 Ca 0.19 0.15 -0.40 0.00 0.71 0.00 0.00 54.79 55.44 3itk n ASP 328 Cb 0.31 -3.70 -0.05 0.00 -0.02 0.00 0.00 41.12 37.66 3itk n ASP 328 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3itk s LYS 329 N -2.44 4.43 -0.02 -1.24 1.02 -0.24 -4.70 119.74 116.55 3itk s LYS 329 Ca 0.00 0.92 -0.30 0.00 0.02 0.00 0.00 55.97 56.61 3itk s LYS 329 Cb 0.00 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 3itk s LYS 329 CO 0.00 0.01 0.99 0.21 -0.92 0.00 0.00 175.35 175.64 3itk s LYS 330 N 0.97 4.53 -0.04 1.68 2.20 -1.26 -0.59 119.74 127.24 3itk s LYS 330 Ca 0.38 1.42 0.01 0.00 -0.36 0.00 0.00 55.97 57.42 3itk s LYS 330 Cb -0.18 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 3itk s LYS 330 CO 0.18 -0.10 -0.06 0.42 -0.36 0.00 0.00 175.35 175.43 3itk s ILE 331 N 1.21 0.57 -0.23 5.43 1.01 -0.30 -1.38 121.20 127.51 3itk s ILE 331 Ca 0.51 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 3itk s ILE 331 Cb -0.21 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 3itk s ILE 331 CO 0.26 0.21 0.77 0.00 0.00 0.00 0.00 174.94 176.18 3itk s ALA 332 N 0.63 3.61 -0.37 9.38 0.00 -0.51 -0.83 121.76 133.67 3itk s ALA 332 Ca -0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 3itk s ALA 332 Cb -0.12 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.83 3itk s ALA 332 CO 0.00 -0.81 0.22 0.42 0.00 0.00 0.00 175.76 175.60 3itk s ILE 333 N 2.54 4.81 -0.48 0.00 -1.09 0.26 -0.70 121.20 126.54 3itk s ILE 333 Ca 0.33 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.93 3itk s ILE 333 Cb -0.16 -3.62 0.07 0.00 -1.58 0.00 0.00 42.46 37.18 3itk s ILE 333 CO 0.09 -0.17 0.41 -0.76 -1.23 0.00 0.00 174.94 173.28 3itk s LEU 334 N 1.61 5.62 0.00 2.97 1.43 -0.18 -0.87 118.68 129.27 3itk s LEU 334 Ca 0.04 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 3itk s LEU 334 Cb -0.19 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.84 3itk s LEU 334 CO 0.08 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.60 3itk n GLY 335 N 5.20 1.51 0.00 -3.19 0.00 0.18 -1.77 105.19 107.13 3itk n GLY 335 Ca -0.12 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.77 3itk n GLY 335 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3itk n PHE 336 N 2.56 0.00 -1.04 1.61 7.35 -1.26 -4.15 117.46 122.53 3itk n PHE 336 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 3itk n PHE 336 Cb 0.00 -0.08 0.12 0.00 0.35 0.00 0.00 39.48 39.87 3itk n PHE 336 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3itk s ALA 337 N -2.17 1.90 -0.20 3.13 0.00 -1.26 -4.67 121.76 118.50 3itk s ALA 337 Ca -0.01 0.37 0.28 0.00 0.00 0.00 0.00 51.96 52.60 3itk s ALA 337 Cb 0.03 -3.33 0.91 0.00 0.00 0.00 0.00 23.12 20.72 3itk s ALA 337 CO 0.16 -2.19 1.81 0.27 0.00 0.00 0.00 175.76 175.81 3itk h PHE 338 N -1.44 0.00 -3.26 0.00 -5.15 -1.62 -3.44 116.94 102.03 3itk h PHE 338 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 3itk h PHE 338 Cb 1.25 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.36 3itk h PHE 338 CO 0.54 0.00 0.10 -1.59 -2.00 0.00 0.00 178.31 175.36 3itk s LYS 339 N -3.43 1.76 0.88 6.09 -2.85 -1.26 -4.56 119.74 116.37 3itk s LYS 339 Ca 0.04 -1.15 -0.11 0.00 -1.00 0.00 0.00 55.97 53.74 3itk s LYS 339 Cb 0.08 0.56 0.12 0.00 -2.06 0.00 0.00 37.83 36.52 3itk s LYS 339 CO 0.59 -0.78 1.09 -1.59 0.10 0.00 0.00 175.35 174.76 3itk s LYS 340 N -3.76 1.38 -1.44 1.78 -2.85 -1.26 -4.24 119.74 109.35 3itk s LYS 340 Ca 0.16 0.84 -0.06 0.00 -1.00 0.00 0.00 55.97 55.92 3itk s LYS 340 Cb -0.04 -1.82 0.01 0.00 -2.06 0.00 0.00 37.83 33.92 3itk s LYS 340 CO 0.09 -2.16 0.76 -0.25 0.10 0.00 0.00 175.35 173.88 3itk n ASP 341 N -3.83 -6.05 -3.61 0.03 8.00 -1.26 -4.98 116.55 104.85 3itk n ASP 341 Ca 0.07 -0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.12 3itk n ASP 341 Cb 0.55 -4.81 -0.03 0.00 -0.02 0.00 0.00 41.12 36.81 3itk n ASP 341 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3itk s THR 342 N -3.20 0.03 -2.18 -3.53 -1.32 -1.26 -5.01 115.64 99.16 3itk s THR 342 Ca 0.38 -0.47 0.20 0.00 -1.21 0.00 0.00 61.69 60.58 3itk s THR 342 Cb -0.17 -1.27 0.31 0.00 -1.51 0.00 0.00 72.50 69.86 3itk s THR 342 CO 0.47 -0.14 1.26 0.61 -2.21 0.00 0.00 174.62 174.61 3itk n GLY 343 N -0.32 1.37 3.66 6.08 0.00 -1.26 -4.61 105.19 110.12 3itk n GLY 343 Ca -0.14 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3itk n GLY 343 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3itk s ASP 344 N -1.41 6.78 0.00 1.61 -1.08 -1.26 -4.64 116.67 116.68 3itk s ASP 344 Ca 0.31 2.04 0.18 0.00 -0.52 0.00 0.00 52.55 54.55 3itk s ASP 344 Cb 0.19 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.48 3itk s ASP 344 CO 0.26 -0.85 1.30 0.35 0.52 0.00 0.00 175.17 176.75 3itk n THR 345 N 5.36 0.60 -1.77 1.71 -2.24 -1.26 -1.73 114.28 114.95 3itk n THR 345 Ca 0.16 -0.80 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 3itk n THR 345 Cb 0.44 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3itk n THR 345 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3itk s ARG 346 N -1.22 4.15 -1.31 -0.78 0.52 -1.26 -1.30 118.95 117.75 3itk s ARG 346 Ca 0.32 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.05 3itk s ARG 346 Cb 0.18 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.87 3itk s ARG 346 CO 0.25 -0.85 0.00 0.39 0.02 0.00 0.00 175.30 175.11 3itk n GLU 347 N 6.29 -1.64 -1.75 3.54 -0.58 -1.26 -0.15 120.64 125.08 3itk n GLU 347 Ca 0.18 0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 57.24 3itk n GLU 347 Cb 0.40 -5.13 -0.02 0.00 -0.57 0.00 0.00 31.44 26.12 3itk n GLU 347 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3itk s SER 348 N -2.09 6.37 0.61 1.62 0.15 -0.42 -4.12 113.70 115.82 3itk s SER 348 Ca 0.00 2.92 0.31 0.00 0.70 0.00 0.00 55.95 59.87 3itk s SER 348 Cb 0.00 -2.62 1.70 0.00 -1.71 0.00 0.00 66.02 63.39 3itk s SER 348 CO 0.00 -0.94 2.06 0.28 1.20 0.00 0.00 173.24 175.84 3itk h SER 349 N 5.67 0.00 -0.32 5.45 0.02 -1.84 -0.28 113.55 122.25 3itk h SER 349 Ca -0.45 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 3itk h SER 349 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3itk h SER 349 CO 0.86 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 176.83 3itk h SER 350 N 0.00 0.64 -0.44 3.07 0.02 -1.84 -0.40 113.55 114.59 3itk h SER 350 Ca 0.08 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3itk h SER 350 Cb 0.58 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3itk h SER 350 CO -0.00 0.71 0.23 0.40 -1.14 0.00 0.00 176.83 177.03 3itk h ILE 351 N 0.64 0.99 -0.08 3.27 2.04 -1.33 -0.74 117.51 122.29 3itk h ILE 351 Ca 0.13 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3itk h ILE 351 Cb 0.39 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3itk h ILE 351 CO 0.01 0.09 -0.35 1.88 0.00 0.00 0.00 178.15 179.78 3itk h TYR 352 N 0.47 0.51 -0.73 1.37 -1.99 -1.49 -0.18 116.97 114.92 3itk h TYR 352 Ca 0.19 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3itk h TYR 352 Cb 0.08 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 3itk h TYR 352 CO -0.09 0.96 0.46 0.82 -0.00 0.00 0.00 178.16 180.30 3itk h ILE 353 N -0.08 1.20 -0.99 -2.88 1.08 -1.10 -1.49 117.51 113.25 3itk h ILE 353 Ca -0.02 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3itk h ILE 353 Cb 0.99 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 3itk h ILE 353 CO 0.07 0.20 0.66 0.28 -0.69 0.00 0.00 178.15 178.67 3itk h SER 354 N 0.99 1.13 0.29 1.72 0.02 -1.02 -1.88 113.55 114.80 3itk h SER 354 Ca 0.26 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3itk h SER 354 Cb -0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3itk h SER 354 CO -0.05 0.81 -0.43 0.11 -1.14 0.00 0.00 176.83 176.13 3itk h LYS 355 N 1.33 0.18 -0.54 3.45 1.57 -0.43 -0.88 116.57 121.26 3itk h LYS 355 Ca 0.37 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 3itk h LYS 355 Cb -0.13 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3itk h LYS 355 CO -0.09 0.58 -0.13 1.88 -0.57 0.00 0.00 179.45 181.12 3itk h TYR 356 N 0.15 1.17 -0.08 -1.35 -1.99 -0.85 -1.16 116.97 112.86 3itk h TYR 356 Ca 0.01 -0.25 -0.17 0.00 2.00 0.00 0.00 58.73 60.32 3itk h TYR 356 Cb 0.82 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 3itk h TYR 356 CO 0.01 1.08 -0.68 -0.07 -0.00 0.00 0.00 178.16 178.50 3itk h LEU 357 N 0.91 0.42 -0.95 3.88 3.38 -0.99 -2.99 115.31 118.97 3itk h LEU 357 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3itk h LEU 357 Cb 0.71 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3itk h LEU 357 CO 0.05 0.98 0.08 0.24 0.09 0.00 0.00 178.44 179.88 3itk h MET 358 N 0.25 0.84 0.00 1.13 2.86 -1.00 -1.11 114.93 117.90 3itk h MET 358 Ca -0.02 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3itk h MET 358 Cb 1.24 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3itk h MET 358 CO 0.11 0.79 0.00 0.22 1.06 0.00 0.00 176.91 179.10 3itk h ASP 359 N 0.80 0.00 -0.14 1.22 3.58 -1.06 -1.01 116.42 119.81 3itk h ASP 359 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3itk h ASP 359 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3itk h ASP 359 CO 0.01 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 175.75 3itk n GLU 360 N -2.38 2.31 -0.70 0.28 -0.58 -0.49 -4.99 120.64 114.10 3itk n GLU 360 Ca -0.01 -2.01 0.00 0.00 -0.42 0.00 0.00 57.16 54.72 3itk n GLU 360 Cb 0.10 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3itk n GLU 360 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3itk n GLY 361 N 1.36 0.63 3.71 0.62 0.00 -0.38 -2.42 105.19 108.70 3itk n GLY 361 Ca 0.15 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3itk n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk n ALA 362 N 0.11 1.00 -3.23 4.61 0.00 -0.78 -1.52 120.51 120.69 3itk n ALA 362 Ca 0.00 0.02 -0.46 0.00 0.00 0.00 0.00 53.44 53.00 3itk n ALA 362 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 3itk n ALA 362 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3itk s HIS 363 N -1.40 3.30 0.07 0.00 3.76 0.24 -4.75 115.29 116.51 3itk s HIS 363 Ca 0.80 -1.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 3itk s HIS 363 Cb -0.39 -3.90 -0.05 0.00 1.11 0.00 0.00 32.58 29.35 3itk s HIS 363 CO 0.43 -1.12 0.93 -0.51 -0.85 0.00 0.00 174.74 173.61 3itk s LEU 364 N 1.63 4.46 -0.22 0.89 1.43 -0.21 -1.15 118.68 125.50 3itk s LEU 364 Ca 0.11 1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3itk s LEU 364 Cb -0.22 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3itk s LEU 364 CO 0.00 -0.10 -0.11 -1.00 0.23 0.00 0.00 176.35 175.37 3itk s HIS 365 N 0.22 2.96 -0.16 0.29 3.76 -0.01 -0.92 115.29 121.43 3itk s HIS 365 Ca 0.46 -1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 53.82 3itk s HIS 365 Cb -0.22 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 3itk s HIS 365 CO 0.28 -0.73 -0.07 0.42 -0.85 0.00 0.00 174.74 173.79 3itk s ILE 366 N 1.33 3.48 -0.06 0.60 1.01 -0.34 -0.58 121.20 126.64 3itk s ILE 366 Ca 0.02 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3itk s ILE 366 Cb -0.15 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3itk s ILE 366 CO -0.07 0.49 -0.17 -0.47 0.00 0.00 0.00 174.94 174.72 3itk s TYR 367 N 0.60 1.76 -0.12 3.97 5.04 -0.05 -0.95 117.35 127.60 3itk s TYR 367 Ca -0.05 -0.58 -0.08 0.00 -2.44 0.00 0.00 57.07 53.93 3itk s TYR 367 Cb -0.15 -1.21 0.05 0.00 0.35 0.00 0.00 41.96 41.00 3itk s TYR 367 CO 0.03 -0.23 0.30 0.34 -1.34 0.00 0.00 175.55 174.65 3itk s ASP 368 N 0.24 -0.34 0.13 4.32 -1.08 -1.26 0.52 116.67 119.19 3itk s ASP 368 Ca -0.09 0.64 0.17 0.00 -0.52 0.00 0.00 52.55 52.75 3itk s ASP 368 Cb -0.14 0.55 0.73 0.00 -1.46 0.00 0.00 42.92 42.61 3itk s ASP 368 CO 0.04 -0.16 1.52 -0.81 0.52 0.00 0.00 175.17 176.28 3itk n PRO 369 N 3.93 0.08 0.00 4.34 -0.04 -1.26 -4.07 135.00 137.99 3itk n PRO 369 Ca -0.22 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3itk n PRO 369 Cb 0.55 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3itk n PRO 369 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3itk n LYS 370 N -1.84 1.90 -2.14 0.54 3.00 -1.26 -5.06 118.16 113.30 3itk n LYS 370 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.91 3itk n LYS 370 Cb 0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 35.03 34.40 3itk n LYS 370 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3itk s VAL 371 N -1.53 3.43 0.33 3.15 1.01 -1.26 -4.74 120.40 120.79 3itk s VAL 371 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 3itk s VAL 371 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 3itk s VAL 371 CO 0.00 0.02 1.44 -2.84 0.00 0.00 0.00 175.10 173.72 3itk s PRO 372 N 2.02 4.21 0.54 2.72 0.02 -1.26 -4.88 135.00 138.37 3itk s PRO 372 Ca 0.66 2.42 0.24 0.00 0.02 0.00 0.00 61.00 64.34 3itk s PRO 372 Cb -0.35 -3.03 1.40 0.00 0.02 0.00 0.00 34.50 32.54 3itk s PRO 372 CO 0.29 -0.42 2.03 0.07 -0.33 0.00 0.00 177.00 178.64 3itk h ARG 373 N 3.72 0.00 -0.56 5.54 0.11 -1.96 -1.81 114.38 119.42 3itk h ARG 373 Ca -0.49 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.49 3itk h ARG 373 Cb 1.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 3itk h ARG 373 CO 0.69 0.00 -0.05 0.93 0.10 0.00 0.00 179.97 181.64 3itk h GLU 374 N 0.00 1.00 -0.16 0.08 3.07 -2.00 -2.57 114.58 114.00 3itk h GLU 374 Ca 0.19 -0.33 -0.09 0.00 -0.50 0.00 0.00 59.36 58.62 3itk h GLU 374 Cb 0.77 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3itk h GLU 374 CO -0.00 1.01 -0.30 0.37 -1.40 0.00 0.00 179.01 178.69 3itk h GLN 375 N 0.90 0.31 -0.30 2.33 5.75 -1.71 -0.55 115.11 121.84 3itk h GLN 375 Ca 0.15 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 3itk h GLN 375 Cb 0.59 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3itk h GLN 375 CO 0.04 0.59 -0.07 0.82 -2.65 0.00 0.00 178.83 177.55 3itk h ILE 376 N 0.27 1.28 -0.57 2.39 2.04 -1.44 0.13 117.51 121.61 3itk h ILE 376 Ca 0.04 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 3itk h ILE 376 Cb 0.67 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3itk h ILE 376 CO 0.05 0.35 0.26 0.58 0.00 0.00 0.00 178.15 179.39 3itk h VAL 377 N 0.35 1.21 -0.79 1.67 2.07 -1.23 -1.77 116.25 117.76 3itk h VAL 377 Ca 0.08 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3itk h VAL 377 Cb 0.55 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3itk h VAL 377 CO 0.03 0.25 0.31 0.58 0.02 0.00 0.00 177.57 178.76 3itk h VAL 378 N 0.78 1.26 -0.33 2.57 2.07 -0.91 -2.54 116.25 119.14 3itk h VAL 378 Ca 0.19 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 3itk h VAL 378 Cb 0.15 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3itk h VAL 378 CO -0.02 0.34 -0.14 0.44 0.02 0.00 0.00 177.57 178.21 3itk h ASP 379 N 1.16 0.56 -0.55 0.57 3.32 -0.25 -2.57 116.42 118.65 3itk h ASP 379 Ca 0.26 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3itk h ASP 379 Cb 0.22 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3itk h ASP 379 CO -0.02 0.72 0.00 0.18 -1.72 0.00 0.00 179.24 178.40 3itk n LEU 380 N -4.18 3.03 -4.92 1.55 4.77 -0.71 -4.95 117.00 111.59 3itk n LEU 380 Ca 0.01 -1.51 -0.31 0.00 -0.03 0.00 0.00 56.01 54.16 3itk n LEU 380 Cb 0.35 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3itk n LEU 380 CO 0.41 0.74 -0.13 -0.44 -1.33 0.00 0.00 177.39 176.64 3itk s SER 381 N -0.99 6.37 0.27 -1.43 0.01 -0.97 -4.76 113.70 112.21 3itk s SER 381 Ca 0.37 0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 3itk s SER 381 Cb 0.20 -1.97 -0.10 0.00 0.21 0.00 0.00 66.02 64.35 3itk s SER 381 CO 0.25 0.15 1.45 -1.00 0.41 0.00 0.00 173.24 174.49 3itk s HIS 382 N -1.54 2.97 0.27 2.43 3.76 -1.26 -4.94 115.29 116.98 3itk s HIS 382 Ca 0.36 1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 56.01 3itk s HIS 382 Cb -0.13 -3.84 -0.11 0.00 1.11 0.00 0.00 32.58 29.61 3itk s HIS 382 CO 0.28 -2.70 1.58 -1.25 -0.85 0.00 0.00 174.74 171.79 3itk s PRO 383 N -0.59 4.15 0.00 8.40 0.04 -1.26 -0.76 135.00 144.98 3itk s PRO 383 Ca 0.58 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.15 3itk s PRO 383 Cb -0.42 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3itk s PRO 383 CO 0.46 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3itk n GLY 384 N 2.41 2.61 3.72 0.56 0.00 -1.26 -5.02 105.19 108.21 3itk n GLY 384 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3itk n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3itk s VAL 385 N -2.26 5.01 -0.13 1.61 0.11 0.06 -4.95 120.40 119.86 3itk s VAL 385 Ca 0.00 1.41 0.10 0.00 -2.93 0.00 0.00 61.98 60.56 3itk s VAL 385 Cb 0.00 -4.02 -0.15 0.00 -1.53 0.00 0.00 36.38 30.68 3itk s VAL 385 CO 0.00 0.29 0.02 -1.20 -3.33 0.00 0.00 175.10 170.88 3itk n SER 386 N 3.55 2.03 -3.43 3.54 7.64 -1.26 -4.70 113.62 121.00 3itk n SER 386 Ca -0.02 -0.01 -0.28 0.00 1.01 0.00 0.00 58.87 59.57 3itk n SER 386 Cb 0.51 0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 64.32 3itk n SER 386 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3itk n GLU 387 N -2.52 2.62 -2.15 1.43 0.00 -1.26 -5.07 120.64 113.69 3itk n GLU 387 Ca -0.21 -4.68 -0.43 0.00 0.00 0.00 0.00 57.16 51.84 3itk n GLU 387 Cb 0.89 -2.27 -0.02 0.00 0.00 0.00 0.00 31.44 30.04 3itk n GLU 387 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3itk s ASP 388 N -2.49 6.15 0.34 -1.84 2.15 -1.26 -4.91 116.67 114.81 3itk s ASP 388 Ca 0.40 1.18 0.04 0.00 0.43 0.00 0.00 52.55 54.60 3itk s ASP 388 Cb 0.15 -2.53 0.61 0.00 -0.30 0.00 0.00 42.92 40.85 3itk s ASP 388 CO -0.01 -1.52 1.92 0.44 -0.17 0.00 0.00 175.17 175.83 3itk h ASP 389 N 11.65 0.57 -0.23 -0.34 3.32 -1.99 -2.06 116.42 127.34 3itk h ASP 389 Ca -0.31 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3itk h ASP 389 Cb 1.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3itk h ASP 389 CO 1.05 0.55 0.10 -0.61 -1.72 0.00 0.00 179.24 178.61 3itk h GLN 390 N 0.61 0.34 -0.21 3.56 4.15 -1.98 0.13 115.11 121.72 3itk h GLN 390 Ca 0.14 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3itk h GLN 390 Cb 0.20 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3itk h GLN 390 CO -0.01 0.38 0.13 0.28 -1.93 0.00 0.00 178.83 177.68 3itk h VAL 391 N 0.22 1.06 0.00 2.39 2.07 -1.74 0.21 116.25 120.46 3itk h VAL 391 Ca 0.08 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3itk h VAL 391 Cb 0.16 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3itk h VAL 391 CO -0.01 0.06 -0.47 0.77 0.02 0.00 0.00 177.57 177.94 3itk h SER 392 N 0.27 0.00 0.70 0.57 4.64 -1.21 0.36 113.55 118.88 3itk h SER 392 Ca 0.08 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.18 3itk h SER 392 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3itk h SER 392 CO -0.02 0.47 -0.97 0.03 -0.87 0.00 0.00 176.83 175.48 3itk h ARG 393 N 0.00 0.16 0.00 4.77 -0.00 -0.62 -3.40 114.38 115.29 3itk h ARG 393 Ca -0.00 -0.20 -0.23 0.00 -0.50 0.00 0.00 59.98 59.04 3itk h ARG 393 Cb 0.85 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.84 3itk h ARG 393 CO 0.06 1.01 -1.99 1.28 0.00 0.00 0.00 179.97 180.32 3itk n LEU 394 N -3.56 0.00 -4.42 3.04 4.77 0.72 -4.98 117.00 112.56 3itk n LEU 394 Ca -0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 3itk n LEU 394 Cb 0.88 0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 42.15 3itk n LEU 394 CO 0.49 0.31 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.81 3itk s VAL 395 N -2.50 3.76 -0.07 4.08 1.01 0.12 -1.05 120.40 125.75 3itk s VAL 395 Ca -0.07 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3itk s VAL 395 Cb 0.06 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3itk s VAL 395 CO 0.63 0.44 -0.24 -0.89 0.00 0.00 0.00 175.10 175.05 3itk s THR 396 N 0.99 1.98 -0.34 3.92 2.01 -0.10 -4.68 115.64 119.44 3itk s THR 396 Ca 0.01 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 3itk s THR 396 Cb -0.14 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 3itk s THR 396 CO 0.01 0.55 0.35 -0.63 -0.69 0.00 0.00 174.62 174.21 3itk s ILE 397 N 0.09 5.18 0.21 1.82 1.01 -1.26 -1.20 121.20 127.05 3itk s ILE 397 Ca -0.11 0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.37 3itk s ILE 397 Cb -0.15 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 3itk s ILE 397 CO 0.06 -0.07 0.81 -0.44 0.00 0.00 0.00 174.94 175.30 3itk s SER 398 N 1.73 7.33 0.22 3.58 0.01 -0.13 -4.92 113.70 121.53 3itk s SER 398 Ca 0.12 1.66 0.12 0.00 1.31 0.00 0.00 55.95 59.15 3itk s SER 398 Cb -0.17 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 3itk s SER 398 CO 0.11 0.12 1.38 0.11 0.41 0.00 0.00 173.24 175.37 3itk h LYS 399 N 3.90 0.00 -4.11 12.44 1.57 -1.97 -3.42 116.57 124.97 3itk h LYS 399 Ca -0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 3itk h LYS 399 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 3itk h LYS 399 CO 0.66 0.67 -0.57 0.16 -0.57 0.00 0.00 179.45 179.80 3itk s ASP 400 N -6.54 0.34 0.55 0.86 1.47 -1.26 -5.02 116.67 107.07 3itk s ASP 400 Ca 0.03 -0.91 0.34 0.00 1.18 0.00 0.00 52.55 53.19 3itk s ASP 400 Cb 0.08 0.26 1.42 0.00 -0.34 0.00 0.00 42.92 44.35 3itk s ASP 400 CO 0.77 -0.66 2.00 1.55 0.68 0.00 0.00 175.17 179.51 3itk h PRO 401 N 2.98 0.00 0.02 2.11 0.13 -1.96 -2.93 132.00 132.35 3itk h PRO 401 Ca -0.34 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.58 3itk h PRO 401 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3itk h PRO 401 CO 0.62 0.00 -0.93 1.88 -0.23 0.00 0.00 178.00 179.34 3itk h TYR 402 N 0.00 0.28 -0.42 1.56 0.05 -1.98 -2.68 116.97 113.78 3itk h TYR 402 Ca 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 3itk h TYR 402 Cb 0.47 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 3itk h TYR 402 CO 0.00 1.01 0.14 1.49 -1.05 0.00 0.00 178.16 179.75 3itk h GLU 403 N 0.09 0.65 -0.99 4.88 4.22 -1.92 -2.08 114.58 119.44 3itk h GLU 403 Ca -0.05 -0.14 0.02 0.00 0.08 0.00 0.00 59.36 59.27 3itk h GLU 403 Cb 1.58 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.69 3itk h GLU 403 CO 0.14 0.63 0.65 0.00 -2.18 0.00 0.00 179.01 178.26 3itk h ALA 404 N 0.99 1.32 -0.00 2.92 0.00 -1.51 -2.85 119.26 120.12 3itk h ALA 404 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3itk h ALA 404 Cb 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3itk h ALA 404 CO -0.01 0.62 -0.29 0.00 0.00 0.00 0.00 179.25 179.58 3itk s ASP 406 N -2.72 6.35 -0.38 0.00 -1.08 -0.79 -2.20 116.67 115.86 3itk s ASP 406 Ca 0.20 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 53.49 3itk s ASP 406 Cb 0.19 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 3itk s ASP 406 CO 0.57 -1.34 0.00 0.61 0.52 0.00 0.00 175.17 175.53 3itk n GLY 407 N 4.82 0.62 3.84 2.66 0.00 0.89 -5.01 105.19 113.01 3itk n GLY 407 Ca 0.18 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3itk n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk s ALA 408 N -1.95 2.90 -0.09 4.61 0.00 -0.93 -4.53 121.76 121.77 3itk s ALA 408 Ca 0.00 0.09 0.15 0.00 0.00 0.00 0.00 51.96 52.20 3itk s ALA 408 Cb 0.00 -3.14 -0.22 0.00 0.00 0.00 0.00 23.12 19.76 3itk s ALA 408 CO 0.00 -0.80 0.56 0.72 0.00 0.00 0.00 175.76 176.24 3itk n HIS 409 N -2.54 0.75 -3.80 0.00 8.25 -0.48 -1.10 115.22 116.31 3itk n HIS 409 Ca 0.07 0.27 -0.12 0.00 -0.26 0.00 0.00 57.72 57.67 3itk n HIS 409 Cb 0.54 -1.11 -0.11 0.00 1.12 0.00 0.00 29.99 30.43 3itk n HIS 409 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3itk s ALA 410 N -2.65 -0.57 -0.23 -1.41 0.00 -1.26 -1.84 121.76 113.79 3itk s ALA 410 Ca -0.06 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 3itk s ALA 410 Cb 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3itk s ALA 410 CO 0.83 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 176.45 3itk s VAL 411 N -0.38 3.05 -0.32 0.00 1.01 -0.24 -1.42 120.40 122.10 3itk s VAL 411 Ca -0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3itk s VAL 411 Cb -0.03 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3itk s VAL 411 CO 0.01 0.34 0.06 -0.69 0.00 0.00 0.00 175.10 174.82 3itk s VAL 412 N 1.40 3.49 -0.55 2.92 1.01 0.12 -0.45 120.40 128.34 3itk s VAL 412 Ca 0.03 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.60 3itk s VAL 412 Cb -0.15 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.31 3itk s VAL 412 CO -0.05 -0.12 0.93 -0.63 0.00 0.00 0.00 175.10 175.23 3itk s ILE 413 N 1.36 4.41 -0.39 2.22 1.01 -0.45 -1.01 121.20 128.35 3itk s ILE 413 Ca -0.03 0.21 0.19 0.00 0.00 0.00 0.00 60.65 61.02 3itk s ILE 413 Cb -0.19 -4.53 -0.25 0.00 0.01 0.00 0.00 42.46 37.49 3itk s ILE 413 CO 0.01 -1.11 0.57 0.00 0.00 0.00 0.00 174.94 174.41 3itk s THR 415 N -3.06 0.79 -0.10 0.00 2.01 -1.21 -4.70 115.64 109.36 3itk s THR 415 Ca -0.01 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 3itk s THR 415 Cb 0.13 -0.68 0.09 0.00 0.01 0.00 0.00 72.50 72.05 3itk s THR 415 CO 0.77 0.16 1.75 -1.84 -0.69 0.00 0.00 174.62 174.78 3itk n GLU 416 N 2.66 1.27 -1.65 4.92 0.00 -1.26 -4.76 120.64 121.82 3itk n GLU 416 Ca -0.14 -0.55 -0.45 0.00 0.00 0.00 0.00 57.16 56.02 3itk n GLU 416 Cb 0.56 -1.22 -0.02 0.00 0.00 0.00 0.00 31.44 30.77 3itk n GLU 416 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3itk n TRP 417 N 0.83 1.91 0.22 -1.84 7.02 -1.26 -4.79 117.44 119.52 3itk n TRP 417 Ca 0.11 0.55 0.06 0.00 -1.02 0.00 0.00 57.50 57.19 3itk n TRP 417 Cb 0.58 -2.38 0.48 0.00 -2.42 0.00 0.00 31.31 27.57 3itk n TRP 417 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3itk h ASP 418 N 3.21 0.00 0.28 -0.99 3.32 -2.01 -2.83 116.42 117.40 3itk h ASP 418 Ca -0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3itk h ASP 418 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3itk h ASP 418 CO 0.68 0.25 -0.07 0.00 -1.72 0.00 0.00 179.24 178.38 3itk h MET 419 N 0.00 0.00 0.00 3.56 -0.00 -1.99 -2.95 114.93 113.54 3itk h MET 419 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 3itk h MET 419 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.06 3itk h MET 419 CO 0.03 0.07 -0.09 0.74 -0.00 0.00 0.00 176.91 177.66 3itk h PHE 420 N 0.00 0.00 0.00 -0.10 0.04 -1.87 -1.49 116.94 113.52 3itk h PHE 420 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3itk h PHE 420 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3itk h PHE 420 CO 0.00 0.09 -0.12 0.36 -0.60 0.00 0.00 178.31 178.04 3itk n LYS 421 N -3.27 0.14 -0.07 1.51 2.85 -1.11 -3.68 118.16 114.52 3itk n LYS 421 Ca -0.00 0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 3itk n LYS 421 Cb 0.32 -1.64 0.26 0.00 -0.65 0.00 0.00 35.03 33.32 3itk n LYS 421 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3itk n GLU 422 N -1.88 2.16 -1.65 -1.58 -0.58 -0.56 -4.99 120.64 111.56 3itk n GLU 422 Ca 0.06 -1.72 -0.33 0.00 -0.42 0.00 0.00 57.16 54.75 3itk n GLU 422 Cb 0.39 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 29.85 3itk n GLU 422 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3itk s LEU 423 N -1.76 3.36 -0.96 -4.62 1.43 -1.21 -4.92 118.68 110.00 3itk s LEU 423 Ca 0.34 2.12 -0.24 0.00 -1.03 0.00 0.00 54.13 55.32 3itk s LEU 423 Cb 0.21 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.91 3itk s LEU 423 CO 0.30 -1.84 1.43 -0.62 0.23 0.00 0.00 176.35 175.85 3itk s ASP 424 N -2.40 6.40 0.25 2.29 -1.08 -1.26 -4.84 116.67 116.02 3itk s ASP 424 Ca 0.69 -1.24 0.12 0.00 -0.52 0.00 0.00 52.55 51.61 3itk s ASP 424 Cb -0.23 -2.57 0.18 0.00 -1.46 0.00 0.00 42.92 38.84 3itk s ASP 424 CO 0.43 -1.61 1.50 1.88 0.52 0.00 0.00 175.17 177.89 3itk h TYR 425 N 9.91 0.00 -0.47 -5.34 -1.99 -1.98 -1.94 116.97 115.16 3itk h TYR 425 Ca 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3itk h TYR 425 Cb 1.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 3itk h TYR 425 CO 1.25 0.67 0.21 1.49 -0.00 0.00 0.00 178.16 181.78 3itk h GLU 426 N 0.00 0.69 -0.29 4.88 4.57 -1.98 0.56 114.58 123.01 3itk h GLU 426 Ca -0.01 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3itk h GLU 426 Cb 1.33 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 3itk h GLU 426 CO 0.09 0.60 0.19 -0.09 -1.18 0.00 0.00 179.01 178.62 3itk h ARG 427 N 0.62 0.38 -0.71 1.92 2.43 -1.93 -2.55 114.38 114.53 3itk h ARG 427 Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3itk h ARG 427 Cb 0.15 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3itk h ARG 427 CO -0.02 0.25 0.47 0.82 -1.51 0.00 0.00 179.97 179.98 3itk h ILE 428 N 0.39 1.18 -0.86 1.20 2.04 -0.80 -2.81 117.51 117.84 3itk h ILE 428 Ca 0.11 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.71 3itk h ILE 428 Cb -0.04 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 3itk h ILE 428 CO -0.02 0.18 0.53 -0.74 0.00 0.00 0.00 178.15 178.09 3itk h HIS 429 N 0.96 0.97 -0.32 1.37 2.76 0.44 -2.79 115.15 118.54 3itk h HIS 429 Ca 0.26 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3itk h HIS 429 Cb -0.11 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.52 3itk h HIS 429 CO -0.02 0.46 -0.07 0.87 -1.30 0.00 0.00 177.93 177.86 3itk h LYS 430 N 0.93 0.53 -0.44 5.26 1.57 -1.19 -2.44 116.57 120.78 3itk h LYS 430 Ca 0.39 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3itk h LYS 430 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3itk h LYS 430 CO -0.20 0.61 0.00 1.63 -0.57 0.00 0.00 179.45 180.91 3itk n LYS 431 N -4.23 2.37 -3.26 3.15 5.02 -1.07 -4.94 118.16 115.21 3itk n LYS 431 Ca 0.01 -2.10 -0.29 0.00 -2.02 0.00 0.00 58.31 53.91 3itk n LYS 431 Cb 0.29 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3itk n LYS 431 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3itk s MET 432 N -1.42 3.68 0.55 1.97 -1.94 -0.92 -0.08 119.30 121.14 3itk s MET 432 Ca 0.39 0.12 -0.17 0.00 -1.71 0.00 0.00 55.69 54.32 3itk s MET 432 Cb 0.22 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 34.40 3itk s MET 432 CO 0.30 0.18 1.06 -0.51 -0.01 0.00 0.00 175.02 176.03 3itk s LEU 433 N -3.52 3.63 -0.03 -0.03 1.43 -0.26 -4.92 118.68 114.98 3itk s LEU 433 Ca 0.46 1.88 0.05 0.00 -1.03 0.00 0.00 54.13 55.48 3itk s LEU 433 Cb -0.11 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 3itk s LEU 433 CO 0.29 -1.04 -0.17 -0.54 0.23 0.00 0.00 176.35 175.11 3itk s LYS 434 N -3.75 2.36 0.33 1.70 -0.14 -1.26 -3.18 119.74 115.81 3itk s LYS 434 Ca 0.65 -0.78 -0.28 0.00 -1.36 0.00 0.00 55.97 54.20 3itk s LYS 434 Cb -0.17 -2.28 -0.10 0.00 -1.68 0.00 0.00 37.83 33.61 3itk s LYS 434 CO 0.31 0.60 1.25 -1.25 -0.76 0.00 0.00 175.35 175.49 3itk s PRO 435 N -0.78 4.35 -0.33 -1.68 0.04 -1.26 -5.15 135.00 130.19 3itk s PRO 435 Ca 0.11 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 3itk s PRO 435 Cb -0.10 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 3itk s PRO 435 CO 0.01 -0.14 0.20 0.00 0.04 0.00 0.00 177.00 177.10 3itk s ALA 436 N -1.19 3.38 -0.02 8.56 0.00 -1.19 -4.87 121.76 126.43 3itk s ALA 436 Ca 0.49 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3itk s ALA 436 Cb -0.37 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3itk s ALA 436 CO 0.48 -1.01 0.22 -0.06 0.00 0.00 0.00 175.76 175.40 3itk s PHE 437 N 1.65 3.58 -0.18 0.00 0.40 -0.77 -1.73 117.98 120.93 3itk s PHE 437 Ca 0.05 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 3itk s PHE 437 Cb -0.17 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.43 3itk s PHE 437 CO 0.08 0.65 -0.19 0.42 0.70 0.00 0.00 175.22 176.88 3itk s ILE 438 N -1.25 2.10 -0.42 0.64 1.01 -0.05 -1.08 121.20 122.16 3itk s ILE 438 Ca 0.25 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 3itk s ILE 438 Cb -0.13 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.52 3itk s ILE 438 CO 0.14 0.52 0.26 -0.36 0.00 0.00 0.00 174.94 175.51 3itk s PHE 439 N 1.29 3.32 -0.66 3.97 0.08 0.40 -0.38 117.98 125.99 3itk s PHE 439 Ca 0.05 -1.40 -0.19 0.00 0.12 0.00 0.00 56.93 55.51 3itk s PHE 439 Cb -0.13 -2.90 0.11 0.00 -0.57 0.00 0.00 43.02 39.53 3itk s PHE 439 CO -0.13 -0.82 0.80 0.34 -0.10 0.00 0.00 175.22 175.32 3itk s ASP 440 N 2.08 6.28 0.00 1.36 -1.08 0.35 -1.35 116.67 124.30 3itk s ASP 440 Ca 0.03 -1.53 0.17 0.00 -0.52 0.00 0.00 52.55 50.70 3itk s ASP 440 Cb -0.23 -2.33 1.03 0.00 -1.46 0.00 0.00 42.92 39.94 3itk s ASP 440 CO 0.03 -1.12 1.54 0.61 0.52 0.00 0.00 175.17 176.75 3itk n GLY 441 N 5.22 -0.82 0.00 2.66 0.00 0.07 -3.35 105.19 108.97 3itk n GLY 441 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3itk n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3itk n ARG 442 N -0.83 0.27 -1.91 1.61 5.12 -1.26 -1.17 116.66 118.49 3itk n ARG 442 Ca 0.13 -0.54 -0.21 0.00 -1.93 0.00 0.00 57.85 55.30 3itk n ARG 442 Cb 0.06 -0.55 -0.06 0.00 -1.16 0.00 0.00 32.46 30.75 3itk n ARG 442 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3itk n ARG 443 N -0.05 -1.55 0.19 5.56 5.12 -1.25 -4.86 116.66 119.82 3itk n ARG 443 Ca 0.00 1.15 0.13 0.00 -1.93 0.00 0.00 57.85 57.20 3itk n ARG 443 Cb 0.45 -5.65 0.36 0.00 -1.16 0.00 0.00 32.46 26.45 3itk n ARG 443 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3itk h VAL 444 N 0.00 0.00 -0.42 1.55 3.04 -1.95 -3.15 116.25 115.33 3itk h VAL 444 Ca -0.46 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 3itk h VAL 444 Cb 1.37 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 3itk h VAL 444 CO 0.61 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.35 3itk n LEU 445 N -2.81 4.19 -4.72 3.16 4.77 -1.26 -4.79 117.00 115.54 3itk n LEU 445 Ca 0.04 -2.67 -0.43 0.00 -0.03 0.00 0.00 56.01 52.92 3itk n LEU 445 Cb 0.43 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3itk n LEU 445 CO 0.30 0.71 1.14 0.47 -1.33 0.00 0.00 177.39 178.68 3itk n ASP 446 N 0.25 3.40 0.00 -1.43 9.92 -1.19 -1.59 116.55 125.92 3itk n ASP 446 Ca 0.21 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.63 3itk n ASP 446 Cb 0.85 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 3itk n ASP 446 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3itk n GLY 447 N 1.99 1.15 0.99 0.44 0.00 -1.26 -4.77 105.19 103.73 3itk n GLY 447 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3itk n GLY 447 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3itk n LEU 448 N 0.00 3.00 -0.05 0.99 4.77 -0.62 -4.74 117.00 120.35 3itk n LEU 448 Ca 0.00 -1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 54.72 3itk n LEU 448 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3itk n LEU 448 CO 0.00 0.58 0.96 0.45 -1.33 0.00 0.00 177.39 178.05 3itk h HIS 449 N 4.24 0.28 -0.71 -1.77 3.86 -1.86 -0.77 115.15 118.42 3itk h HIS 449 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3itk h HIS 449 Cb 0.92 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 3itk h HIS 449 CO 0.12 0.19 0.45 -0.91 0.86 0.00 0.00 177.93 178.64 3itk h ASN 450 N 0.29 0.76 1.71 2.45 2.35 -1.95 -0.49 115.58 120.69 3itk h ASN 450 Ca 0.08 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3itk h ASN 450 Cb -0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3itk h ASN 450 CO -0.02 0.53 -0.29 1.05 -1.65 0.00 0.00 177.43 177.06 3itk h GLU 451 N 0.90 0.00 -0.04 0.81 4.11 -1.80 -0.93 114.58 117.63 3itk h GLU 451 Ca 0.28 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.49 3itk h GLU 451 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3itk h GLU 451 CO -0.09 0.29 -0.88 -0.07 0.07 0.00 0.00 179.01 178.32 3itk h LEU 452 N 0.00 0.63 -0.90 3.06 3.38 -0.87 -1.45 115.31 119.16 3itk h LEU 452 Ca -0.00 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3itk h LEU 452 Cb 1.22 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3itk h LEU 452 CO 0.04 1.25 0.44 1.56 0.09 0.00 0.00 178.44 181.82 3itk h GLN 453 N 0.31 1.23 -0.24 1.13 4.20 -0.90 -0.59 115.11 120.26 3itk h GLN 453 Ca -0.07 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 3itk h GLN 453 Cb 1.51 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 3itk h GLN 453 CO 0.16 0.92 -0.06 1.15 -0.67 0.00 0.00 178.83 180.33 3itk h THR 454 N 1.23 1.28 -0.41 -0.54 2.02 -1.05 -1.33 112.91 114.11 3itk h THR 454 Ca 0.30 -1.07 0.12 0.00 0.77 0.00 0.00 66.41 66.53 3itk h THR 454 Cb 0.08 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3itk h THR 454 CO -0.04 0.33 0.30 0.40 0.37 0.00 0.00 175.52 176.88 3itk h ILE 455 N 0.20 0.77 0.00 3.11 2.04 -1.25 -3.46 117.51 118.91 3itk h ILE 455 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3itk h ILE 455 Cb 0.52 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3itk h ILE 455 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 3itk n GLY 456 N -1.61 1.64 3.77 5.37 0.00 -0.50 -5.04 105.19 108.82 3itk n GLY 456 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3itk n GLY 456 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itk s PHE 457 N -2.00 3.82 -0.48 1.61 0.40 -0.28 -4.70 117.98 116.35 3itk s PHE 457 Ca 0.00 1.78 -0.26 0.00 -0.60 0.00 0.00 56.93 57.85 3itk s PHE 457 Cb 0.00 -2.90 0.03 0.00 0.51 0.00 0.00 43.02 40.66 3itk s PHE 457 CO 0.00 0.35 0.98 -0.65 0.70 0.00 0.00 175.22 176.60 3itk s GLN 458 N -1.63 3.54 -0.21 0.44 -0.21 -0.70 -4.25 119.66 116.64 3itk s GLN 458 Ca 0.45 0.19 -0.07 0.00 0.02 0.00 0.00 55.36 55.95 3itk s GLN 458 Cb -0.22 -3.94 -0.04 0.00 1.00 0.00 0.00 33.01 29.82 3itk s GLN 458 CO 0.27 -1.31 0.07 -1.50 -2.12 0.00 0.00 175.29 170.70 3itk s ILE 459 N 3.97 4.55 0.04 1.08 1.10 -1.26 -0.87 121.20 129.81 3itk s ILE 459 Ca 0.39 -0.11 0.04 0.00 -0.51 0.00 0.00 60.65 60.46 3itk s ILE 459 Cb -0.10 -3.09 -0.02 0.00 0.15 0.00 0.00 42.46 39.41 3itk s ILE 459 CO 0.27 0.40 -0.12 -1.61 -2.11 0.00 0.00 174.94 171.76 3itk s GLU 460 N 0.98 0.78 0.23 3.50 2.02 0.48 -4.97 118.70 121.73 3itk s GLU 460 Ca 0.04 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 3itk s GLU 460 Cb -0.14 -0.74 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 3itk s GLU 460 CO 0.03 0.17 0.35 -0.08 0.02 0.00 0.00 175.26 175.75 3itk s THR 461 N -0.97 0.00 -0.01 3.63 -1.32 -1.26 -0.50 115.64 115.21 3itk s THR 461 Ca -0.01 -1.63 -0.30 0.00 -1.21 0.00 0.00 61.69 58.54 3itk s THR 461 Cb -0.08 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.54 3itk s THR 461 CO 0.01 0.00 1.37 -0.63 -2.21 0.00 0.00 174.62 173.16 3itk s ILE 462 N -4.06 3.81 0.00 5.08 1.01 -1.21 -3.57 121.20 122.26 3itk s ILE 462 Ca 0.29 1.18 0.00 0.00 0.00 0.00 0.00 60.65 62.12 3itk s ILE 462 Cb 0.02 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3itk s ILE 462 CO 0.10 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3itk n GLY 463 N 3.60 0.56 2.79 6.18 0.00 -1.26 -4.84 105.19 112.22 3itk n GLY 463 Ca 0.13 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3itk n GLY 463 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3itk s LYS 464 N -2.67 0.27 0.30 1.61 2.20 -1.23 -1.60 119.74 118.61 3itk s LYS 464 Ca 0.00 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 3itk s LYS 464 Cb 0.00 -0.52 -0.11 0.00 -1.51 0.00 0.00 37.83 35.69 3itk s LYS 464 CO 0.00 -0.18 1.56 0.21 -0.36 0.00 0.00 175.35 176.58 3itk s LYS 465 N 1.25 4.13 0.00 4.03 2.20 -1.26 -4.70 119.74 125.40 3itk s LYS 465 Ca -0.07 2.55 0.01 0.00 -0.36 0.00 0.00 55.97 58.11 3itk s LYS 465 Cb -0.13 -3.02 0.08 0.00 -1.51 0.00 0.00 37.83 33.25 3itk s LYS 465 CO -0.02 -0.59 0.57 0.28 -0.36 0.00 0.00 175.35 175.23