#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 0.14 -3.24 1.43 0.00 -1.26 -5.03 117.12 109.17 3itk n MET 1 Ca 0.00 0.06 -0.39 0.00 -0.00 0.00 0.00 57.70 57.38 3itk n MET 1 Cb 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 33.22 32.42 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 -2.13 3.70 -0.18 1.12 5.36 -1.26 -5.06 117.98 119.53 3itk s PHE 2 Ca -0.10 1.18 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 3itk s PHE 2 Cb 0.04 -2.57 0.02 0.00 -0.34 0.00 0.00 43.02 40.17 3itk s PHE 2 CO 0.12 0.40 -0.18 -2.00 -1.46 0.00 0.00 175.22 172.10 3itk s GLU 3 N -0.37 3.03 -0.17 10.12 2.12 -1.26 -4.74 118.70 127.42 3itk s GLU 3 Ca 0.30 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 3itk s GLU 3 Cb -0.18 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 3itk s GLU 3 CO 0.17 -0.21 1.24 0.42 -0.54 0.00 0.00 175.26 176.34 3itk s ILE 4 N 1.31 4.32 -0.02 -3.70 1.01 -1.26 -4.86 121.20 117.99 3itk s ILE 4 Ca 0.05 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.32 3itk s ILE 4 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3itk s ILE 4 CO -0.12 -0.14 0.03 0.29 0.00 0.00 0.00 174.94 175.00 3itk n LYS 5 N 6.58 2.38 -4.35 2.79 5.02 -1.26 -4.88 118.16 124.45 3itk n LYS 5 Ca 0.14 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 3itk n LYS 5 Cb 0.45 -1.07 -0.17 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.11 1.52 -0.07 1.97 1.02 -1.26 -1.18 119.74 119.62 3itk s LYS 6 Ca -0.01 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.69 3itk s LYS 6 Cb 0.01 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.94 3itk s LYS 6 CO 0.11 -0.07 -0.20 0.42 -0.92 0.00 0.00 175.35 174.70 3itk s ILE 7 N 0.97 2.50 -0.09 2.17 1.01 0.60 -0.99 121.20 127.38 3itk s ILE 7 Ca -0.09 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3itk s ILE 7 Cb -0.15 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3itk s ILE 7 CO 0.00 0.56 -0.23 0.00 0.00 0.00 0.00 174.94 175.28 3itk s ILE 10 N 1.23 4.53 0.00 0.00 1.01 0.36 -0.72 121.20 127.62 3itk s ILE 10 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.11 3itk s ILE 10 Cb -0.17 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.89 3itk s ILE 10 CO -0.06 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.64 3itk n GLY 11 N 5.00 3.01 2.22 6.18 0.00 0.25 0.10 105.19 121.95 3itk n GLY 11 Ca 0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 5.78 -1.60 4.61 0.00 -1.24 -4.36 120.51 123.69 3itk n ALA 12 Ca 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.80 3itk n ALA 12 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.81 1.28 0.23 0.00 0.00 -1.26 -4.64 105.19 99.98 3itk n GLY 13 Ca 0.54 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.79 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 0.24 0.00 1.61 3.20 -1.94 -2.23 116.97 117.85 3itk h TYR 14 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3itk h TYR 14 Cb 0.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3itk h TYR 14 CO 0.00 0.41 -0.13 0.28 -1.64 0.00 0.00 178.16 177.08 3itk h VAL 15 N 0.21 0.00 -0.63 1.81 2.07 -1.93 -3.39 116.25 114.39 3itk h VAL 15 Ca 0.04 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.97 3itk h VAL 15 Cb 0.47 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 3itk h VAL 15 CO 0.03 0.00 0.30 1.23 0.02 0.00 0.00 177.57 179.15 3itk h GLY 16 N -0.67 0.91 0.75 2.17 0.00 -1.77 -2.66 103.07 101.81 3itk h GLY 16 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3itk h GLY 16 CO 0.00 0.07 -0.36 -1.33 0.00 0.00 0.00 176.54 174.92 3itk h GLY 17 N 0.55 -1.06 0.91 4.60 0.00 -1.60 -1.25 103.07 105.22 3itk h GLY 17 Ca 0.30 0.39 0.02 0.00 0.00 0.00 0.00 47.33 48.04 3itk h GLY 17 CO -0.24 -0.38 0.33 -2.55 0.00 0.00 0.00 176.54 173.70 3itk h PRO 18 N -1.02 0.63 -0.24 4.80 0.11 -1.74 -0.62 132.00 133.91 3itk h PRO 18 Ca -0.10 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.99 3itk h PRO 18 Cb 0.78 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 3itk h PRO 18 CO 0.17 0.42 0.08 1.15 -0.21 0.00 0.00 178.00 179.61 3itk h THR 19 N 0.65 0.94 -0.18 -1.15 2.02 -1.49 -1.09 112.91 112.61 3itk h THR 19 Ca 0.21 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 3itk h THR 19 Cb -0.01 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3itk h THR 19 CO -0.08 0.04 -0.36 0.00 0.37 0.00 0.00 175.52 175.48 3itk h SER 21 N 0.32 0.65 -0.44 0.00 0.02 -0.80 -0.41 113.55 112.89 3itk h SER 21 Ca 0.04 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 3itk h SER 21 Cb 0.79 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3itk h SER 21 CO 0.06 0.59 -0.28 0.58 -1.14 0.00 0.00 176.83 176.64 3itk h VAL 22 N 0.67 1.27 -0.56 2.27 2.07 -0.97 -1.88 116.25 119.12 3itk h VAL 22 Ca 0.17 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.27 3itk h VAL 22 Cb 0.10 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3itk h VAL 22 CO -0.02 0.49 0.35 0.40 0.02 0.00 0.00 177.57 178.81 3itk h ILE 23 N 0.82 1.07 -0.42 4.57 2.04 -0.86 -0.79 117.51 123.94 3itk h ILE 23 Ca 0.09 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3itk h ILE 23 Cb 0.86 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3itk h ILE 23 CO 0.08 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.55 3itk h ALA 24 N 1.24 0.55 -0.82 1.87 0.00 -1.00 0.12 119.26 121.22 3itk h ALA 24 Ca 0.22 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3itk h ALA 24 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3itk h ALA 24 CO -0.09 0.12 0.54 1.25 0.00 0.00 0.00 179.25 181.06 3itk h HIS 25 N 0.54 0.95 0.00 0.00 -0.00 -0.87 -2.87 115.15 112.90 3itk h HIS 25 Ca 0.14 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 3itk h HIS 25 Cb 0.13 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3itk h HIS 25 CO -0.01 0.53 -1.09 -1.33 -0.00 0.00 0.00 177.93 176.03 3itk n MET 26 N -4.46 0.44 -3.52 5.26 2.00 -0.35 -4.60 117.12 111.89 3itk n MET 26 Ca 0.11 0.02 -0.27 0.00 0.00 0.00 0.00 57.70 57.57 3itk n MET 26 Cb 0.15 -1.67 -0.09 0.00 0.00 0.00 0.00 33.22 31.61 3itk n MET 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3itk h PRO 28 N 4.73 0.00 -0.01 0.00 0.11 -1.81 -0.85 132.00 134.16 3itk h PRO 28 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3itk h PRO 28 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3itk h PRO 28 CO 0.66 0.00 -0.11 -0.85 -0.21 0.00 0.00 178.00 177.49 3itk n GLU 29 N -3.64 0.91 -4.18 1.05 0.00 -1.26 -4.79 120.64 108.73 3itk n GLU 29 Ca 0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 57.16 56.43 3itk n GLU 29 Cb 0.28 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.13 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 -2.36 4.45 -0.13 3.84 1.01 -0.33 -4.91 121.20 122.78 3itk s ILE 30 Ca 0.31 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 3itk s ILE 30 Cb 0.20 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3itk s ILE 30 CO 0.45 0.49 0.64 -0.60 0.00 0.00 0.00 174.94 175.92 3itk s ARG 31 N 0.18 4.33 -0.19 2.79 3.52 -0.32 -4.83 118.95 124.43 3itk s ARG 31 Ca 0.02 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.34 3itk s ARG 31 Cb -0.13 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3itk s ARG 31 CO 0.01 -0.04 -0.16 0.08 -0.81 0.00 0.00 175.30 174.38 3itk s VAL 32 N 1.23 1.94 -0.25 7.11 1.01 0.44 -0.29 120.40 131.59 3itk s VAL 32 Ca 0.32 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3itk s VAL 32 Cb -0.16 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.40 3itk s VAL 32 CO 0.13 0.36 -0.09 -0.89 0.00 0.00 0.00 175.10 174.61 3itk s THR 33 N 1.30 2.50 -0.23 3.92 2.01 0.25 -0.93 115.64 124.47 3itk s THR 33 Ca 0.01 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.57 3itk s THR 33 Cb -0.15 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3itk s THR 33 CO -0.10 0.13 0.42 -0.69 -0.69 0.00 0.00 174.62 173.69 3itk s VAL 34 N 1.23 5.16 0.19 3.82 1.01 0.64 -1.16 120.40 131.29 3itk s VAL 34 Ca -0.03 0.71 0.11 0.00 0.00 0.00 0.00 61.98 62.77 3itk s VAL 34 Cb -0.18 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3itk s VAL 34 CO -0.06 0.19 -0.23 0.68 0.00 0.00 0.00 175.10 175.68 3itk s VAL 35 N 1.73 2.28 -0.09 2.92 -7.23 0.10 -1.62 120.40 118.49 3itk s VAL 35 Ca 0.18 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 3itk s VAL 35 Cb -0.15 -2.08 0.07 0.00 0.56 0.00 0.00 36.38 34.78 3itk s VAL 35 CO 0.09 -0.13 0.71 -0.62 -0.31 0.00 0.00 175.10 174.83 3itk s ASP 36 N -2.64 -0.66 0.32 4.85 -1.08 -1.13 -0.59 116.67 115.74 3itk s ASP 36 Ca 0.20 0.82 0.15 0.00 -0.52 0.00 0.00 52.55 53.19 3itk s ASP 36 Cb -0.08 0.67 0.50 0.00 -1.46 0.00 0.00 42.92 42.55 3itk s ASP 36 CO 0.09 -0.53 1.66 1.62 0.52 0.00 0.00 175.17 178.53 3itk h VAL 37 N 3.14 1.15 -1.41 1.11 3.04 -1.90 -3.39 116.25 118.00 3itk h VAL 37 Ca -0.27 -1.85 -0.44 0.00 -1.01 0.00 0.00 66.70 63.13 3itk h VAL 37 Cb 1.14 2.06 -0.06 0.00 -2.01 0.00 0.00 31.29 32.43 3itk h VAL 37 CO 0.33 0.49 1.10 0.21 -1.01 0.00 0.00 177.57 178.69 3itk s ASN 38 N -6.63 5.55 0.30 3.17 3.84 -1.26 -4.86 114.94 115.06 3itk s ASN 38 Ca -0.00 -0.46 -0.00 0.00 0.21 0.00 0.00 52.86 52.61 3itk s ASN 38 Cb 0.12 -2.55 0.50 0.00 -0.55 0.00 0.00 41.25 38.77 3itk s ASN 38 CO 0.72 -2.30 1.94 -0.08 -2.79 0.00 0.00 177.10 174.60 3itk h GLU 39 N 12.02 1.03 -0.93 0.43 4.81 -1.99 -1.87 114.58 128.07 3itk h GLU 39 Ca -0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3itk h GLU 39 Cb 1.06 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 3itk h GLU 39 CO 1.26 0.68 0.62 1.03 -0.73 0.00 0.00 179.01 181.86 3itk h SER 40 N 1.06 1.05 -0.20 1.04 0.87 -1.98 -1.03 113.55 114.36 3itk h SER 40 Ca 0.35 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.76 3itk h SER 40 Cb 0.06 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3itk h SER 40 CO -0.11 0.75 -0.38 -0.09 -0.53 0.00 0.00 176.83 176.47 3itk h ARG 41 N 1.24 0.61 -0.67 2.24 2.43 -1.76 -2.38 114.38 116.09 3itk h ARG 41 Ca 0.35 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3itk h ARG 41 Cb -0.10 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3itk h ARG 41 CO -0.09 1.00 0.42 0.82 -1.51 0.00 0.00 179.97 180.62 3itk h ILE 42 N 0.29 1.11 -0.92 1.20 1.08 -1.31 -1.57 117.51 117.39 3itk h ILE 42 Ca 0.01 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 3itk h ILE 42 Cb 0.98 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 3itk h ILE 42 CO 0.08 0.15 0.60 0.78 -0.69 0.00 0.00 178.15 179.08 3itk h ASN 43 N 0.83 1.00 -0.49 1.72 2.35 -1.12 -1.46 115.58 118.42 3itk h ASN 43 Ca 0.26 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3itk h ASN 43 Cb -0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3itk h ASN 43 CO -0.09 0.68 -0.05 0.00 -1.65 0.00 0.00 177.43 176.32 3itk h ALA 44 N 1.46 0.66 0.00 -0.83 0.00 -0.90 -2.00 119.26 117.65 3itk h ALA 44 Ca 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3itk h ALA 44 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3itk h ALA 44 CO -0.11 0.51 -0.02 -1.49 0.00 0.00 0.00 179.25 178.14 3itk h TRP 45 N 0.75 0.00 -0.16 0.00 4.06 -0.60 0.21 115.95 120.20 3itk h TRP 45 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 3itk h TRP 45 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3itk h TRP 45 CO 0.04 0.02 0.00 0.09 -3.56 0.00 0.00 178.44 175.04 3itk n ASN 46 N -4.41 1.46 -4.97 -3.49 3.02 -0.61 -4.93 115.26 101.32 3itk n ASN 46 Ca -0.03 -1.71 -0.21 0.00 -0.03 0.00 0.00 54.58 52.61 3itk n ASN 46 Cb 0.11 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.50 5.13 0.00 6.41 1.04 0.06 -5.01 113.70 119.82 3itk s SER 47 Ca 0.30 -0.81 0.30 0.00 0.48 0.00 0.00 55.95 56.22 3itk s SER 47 Cb 0.16 -0.07 1.59 0.00 0.10 0.00 0.00 66.02 67.80 3itk s SER 47 CO 0.24 -1.03 2.07 -0.81 0.98 0.00 0.00 173.24 174.69 3itk n PRO 48 N -1.92 0.59 -3.97 4.02 -0.04 -1.26 -4.46 135.00 127.95 3itk n PRO 48 Ca 0.08 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 3itk n PRO 48 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.39 2.51 0.56 0.52 2.01 -1.26 -5.11 115.64 112.48 3itk s THR 49 Ca 0.34 -2.90 -0.20 0.00 0.31 0.00 0.00 61.69 59.24 3itk s THR 49 Cb 0.20 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 3itk s THR 49 CO 0.42 -0.72 1.19 -0.76 -0.69 0.00 0.00 174.62 174.06 3itk s LEU 50 N 0.22 3.74 0.10 4.42 1.43 -1.26 -4.70 118.68 122.63 3itk s LEU 50 Ca 0.14 2.33 0.24 0.00 -1.03 0.00 0.00 54.13 55.81 3itk s LEU 50 Cb -0.23 -4.54 0.93 0.00 0.03 0.00 0.00 46.19 42.38 3itk s LEU 50 CO -0.03 -1.40 1.73 -0.81 0.23 0.00 0.00 176.35 176.06 3itk n PRO 51 N -1.36 0.10 -4.89 1.29 -0.04 -1.26 -4.56 135.00 124.27 3itk n PRO 51 Ca 0.12 0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 63.46 3itk n PRO 51 Cb 0.50 -1.64 -0.17 0.00 -0.04 0.00 0.00 33.50 32.15 3itk n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3itk s ILE 52 N -3.09 1.96 -0.25 0.52 -1.09 -1.26 -5.11 121.20 112.88 3itk s ILE 52 Ca 0.09 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.40 3itk s ILE 52 Cb 0.13 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 3itk s ILE 52 CO 0.45 0.54 0.49 -0.47 -1.23 0.00 0.00 174.94 174.71 3itk s TYR 53 N 0.61 3.28 -0.06 3.97 5.04 -1.26 -4.97 117.35 123.96 3itk s TYR 53 Ca -0.13 0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 55.10 3itk s TYR 53 Cb -0.17 -2.68 0.04 0.00 0.35 0.00 0.00 41.96 39.50 3itk s TYR 53 CO 0.03 -0.24 0.13 -1.21 -1.34 0.00 0.00 175.55 172.92 3itk s GLU 54 N 2.15 0.06 0.15 4.97 0.41 -1.26 -4.70 118.70 120.48 3itk s GLU 54 Ca 0.20 0.38 -0.34 0.00 -0.41 0.00 0.00 54.97 54.80 3itk s GLU 54 Cb -0.16 -0.22 -0.16 0.00 -1.78 0.00 0.00 34.13 31.82 3itk s GLU 54 CO 0.09 -0.20 1.25 -2.30 -0.49 0.00 0.00 175.26 173.61 3itk n PRO 55 N 4.43 1.25 0.00 0.39 -0.02 -1.26 -1.67 135.00 138.12 3itk n PRO 55 Ca -0.22 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3itk n PRO 55 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.23 2.76 0.15 -1.23 0.00 -1.26 -4.38 105.19 103.46 3itk n GLY 56 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 0.47 -0.50 0.99 5.85 -1.73 -2.40 115.31 117.98 3itk h LEU 57 Ca 0.00 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.30 3itk h LEU 57 Cb 0.00 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 3itk h LEU 57 CO 0.00 0.89 0.04 0.50 -0.34 0.00 0.00 178.44 179.52 3itk h LYS 58 N 0.06 0.15 -0.41 1.25 3.64 -1.90 0.17 116.57 119.53 3itk h LYS 58 Ca 0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3itk h LYS 58 Cb 0.78 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3itk h LYS 58 CO 0.05 0.10 0.26 0.93 -2.27 0.00 0.00 179.45 178.52 3itk h GLU 59 N 0.16 0.52 0.16 1.90 3.07 -1.92 0.50 114.58 118.96 3itk h GLU 59 Ca 0.25 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3itk h GLU 59 Cb 0.37 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3itk h GLU 59 CO -0.39 0.34 -0.08 0.28 -1.40 0.00 0.00 179.01 177.77 3itk h VAL 60 N 0.54 0.86 -0.37 3.13 2.07 -0.88 -1.64 116.25 119.96 3itk h VAL 60 Ca 0.15 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3itk h VAL 60 Cb -0.05 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3itk h VAL 60 CO -0.04 0.02 0.24 0.58 0.02 0.00 0.00 177.57 178.39 3itk h VAL 61 N -0.25 1.10 0.00 2.57 2.07 -0.53 -2.63 116.25 118.58 3itk h VAL 61 Ca -0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3itk h VAL 61 Cb 0.20 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3itk h VAL 61 CO 0.04 0.10 -0.23 -0.33 0.02 0.00 0.00 177.57 177.16 3itk h GLU 62 N 0.50 0.00 0.00 1.57 5.08 -0.81 0.77 114.58 121.69 3itk h GLU 62 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3itk h GLU 62 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3itk h GLU 62 CO -0.03 0.23 0.00 0.66 -1.00 0.00 0.00 179.01 178.88 3itk h SER 63 N 0.00 0.00 0.00 1.42 4.64 -0.91 -3.37 113.55 115.33 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 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3itk h SER 63 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3itk n ARG 65 N 0.00 2.67 0.00 0.00 0.63 0.24 -0.81 116.66 119.40 3itk n ARG 65 Ca 0.00 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 3itk n ARG 65 Cb 0.00 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.11 3itk n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3itk n GLY 66 N 3.85 3.01 0.01 5.14 0.00 -0.06 -4.86 105.19 112.28 3itk n GLY 66 Ca 0.16 0.00 -0.01 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 0.09 0.00 1.61 5.02 0.01 -4.86 118.16 118.03 3itk n LYS 67 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3itk n LYS 67 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.75 0.54 -4.48 4.39 6.94 -1.00 -5.03 115.26 113.86 3itk n ASN 68 Ca -0.02 -0.98 -0.34 0.00 -0.02 0.00 0.00 54.58 53.22 3itk n ASN 68 Cb 0.06 0.01 -0.12 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.03 3.24 0.02 -4.53 2.96 -1.00 -0.42 118.68 118.92 3itk s LEU 69 Ca 0.00 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3itk s LEU 69 Cb 0.00 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3itk s LEU 69 CO 0.00 0.15 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.76 3itk s PHE 70 N 0.49 0.49 -0.11 5.38 0.08 -0.10 -0.88 117.98 123.33 3itk s PHE 70 Ca -0.03 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.74 3itk s PHE 70 Cb -0.14 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 42.01 3itk s PHE 70 CO 0.03 -0.06 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.86 3itk s PHE 71 N -0.79 2.10 0.05 0.36 0.08 -1.26 -0.26 117.98 118.26 3itk s PHE 71 Ca -0.05 -0.98 -0.13 0.00 0.12 0.00 0.00 56.93 55.89 3itk s PHE 71 Cb -0.06 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3itk s PHE 71 CO -0.00 -0.48 0.28 0.45 -0.10 0.00 0.00 175.22 175.37 3itk s SER 72 N 0.88 -0.09 0.00 1.36 0.15 -0.64 -4.94 113.70 110.42 3itk s SER 72 Ca -0.08 -0.24 0.26 0.00 0.70 0.00 0.00 55.95 56.59 3itk s SER 72 Cb -0.15 0.35 0.78 0.00 -1.71 0.00 0.00 66.02 65.28 3itk s SER 72 CO -0.00 -0.62 1.59 0.35 1.20 0.00 0.00 173.24 175.76 3itk n THR 73 N 0.55 0.04 -2.66 6.45 -2.24 -1.26 -2.86 114.28 112.30 3itk n THR 73 Ca -0.18 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 3itk n THR 73 Cb 0.60 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.54 5.03 -0.10 3.42 2.85 -1.26 -4.80 115.26 120.94 3itk n ASN 74 Ca 0.17 -2.98 -0.10 0.00 -0.11 0.00 0.00 54.58 51.57 3itk n ASN 74 Cb 0.42 -1.61 -0.02 0.00 1.24 0.00 0.00 39.78 39.82 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 4.66 1.17 -0.79 -1.44 2.04 -1.90 -2.92 117.51 118.33 3itk h ILE 75 Ca 0.38 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3itk h ILE 75 Cb 0.81 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3itk h ILE 75 CO 1.41 0.17 0.34 0.44 0.00 0.00 0.00 178.15 180.51 3itk h ASP 76 N 0.36 1.07 -0.19 1.72 3.32 -1.98 -1.60 116.42 119.12 3itk h ASP 76 Ca 0.11 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 3itk h ASP 76 Cb 0.15 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3itk h ASP 76 CO -0.01 0.94 -0.51 0.44 -1.72 0.00 0.00 179.24 178.38 3itk h ASP 77 N 1.14 0.85 -0.42 6.45 3.32 -1.97 -1.99 116.42 123.80 3itk h ASP 77 Ca 0.27 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3itk h ASP 77 Cb 0.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3itk h ASP 77 CO -0.03 1.20 0.21 0.00 -1.72 0.00 0.00 179.24 178.91 3itk h ALA 78 N 0.82 0.52 -0.06 3.45 0.00 -1.30 -2.88 119.26 119.82 3itk h ALA 78 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3itk h ALA 78 Cb 1.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3itk h ALA 78 CO 0.11 -0.14 0.03 0.82 0.00 0.00 0.00 179.25 180.07 3itk h ILE 79 N 0.43 1.04 -0.48 0.00 2.04 -1.17 -3.12 117.51 116.25 3itk h ILE 79 Ca 0.18 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 66.04 3itk h ILE 79 Cb 0.08 1.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 3itk h ILE 79 CO -0.12 0.03 -0.18 0.11 0.00 0.00 0.00 178.15 178.00 3itk h LYS 80 N 0.05 -0.06 0.00 2.37 1.57 -1.15 -2.86 116.57 116.49 3itk h LYS 80 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3itk h LYS 80 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3itk h LYS 80 CO -0.00 -0.04 -0.25 0.93 -0.57 0.00 0.00 179.45 179.51 3itk h GLU 81 N -0.07 0.00 -6.87 3.15 5.08 -1.58 -3.46 114.58 110.83 3itk h GLU 81 Ca 0.23 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.07 3itk h GLU 81 Cb 0.42 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.73 3itk h GLU 81 CO -0.53 0.25 0.62 0.00 -1.00 0.00 0.00 179.01 178.35 3itk s ALA 82 N -3.59 3.49 -0.01 3.43 0.00 -1.08 -4.82 121.76 119.17 3itk s ALA 82 Ca 0.01 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3itk s ALA 82 Cb 0.10 -3.46 -0.26 0.00 0.00 0.00 0.00 23.12 19.50 3itk s ALA 82 CO 0.65 -0.58 0.78 -0.44 0.00 0.00 0.00 175.76 176.17 3itk h ASP 83 N 3.50 0.28 -3.42 0.00 3.32 -1.39 -3.46 116.42 115.24 3itk h ASP 83 Ca -0.49 -0.43 -0.46 0.00 0.02 0.00 0.00 57.03 55.68 3itk h ASP 83 Cb 1.22 -0.09 -0.34 0.00 0.22 0.00 0.00 39.33 40.34 3itk h ASP 83 CO 0.66 1.37 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.54 3itk s LEU 84 N -6.77 1.42 -0.21 1.55 1.98 -0.95 -0.91 118.68 114.79 3itk s LEU 84 Ca -0.09 -0.20 0.01 0.00 -2.89 0.00 0.00 54.13 50.96 3itk s LEU 84 Cb 0.07 -0.61 0.03 0.00 0.66 0.00 0.00 46.19 46.34 3itk s LEU 84 CO 0.83 -0.03 -0.15 -0.69 -1.89 0.00 0.00 176.35 174.42 3itk s VAL 85 N 0.89 2.28 0.01 1.68 1.01 0.43 -1.41 120.40 125.29 3itk s VAL 85 Ca -0.11 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 3itk s VAL 85 Cb -0.15 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3itk s VAL 85 CO 0.01 0.36 0.72 -0.36 0.00 0.00 0.00 175.10 175.83 3itk s PHE 86 N 1.27 3.68 -0.36 5.22 0.08 0.17 -0.61 117.98 127.43 3itk s PHE 86 Ca 0.01 1.37 -0.12 0.00 0.12 0.00 0.00 56.93 58.31 3itk s PHE 86 Cb -0.15 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 3itk s PHE 86 CO -0.09 0.23 0.23 0.42 -0.10 0.00 0.00 175.22 175.91 3itk s ILE 87 N 0.16 5.00 -0.30 0.64 1.01 0.11 -0.48 121.20 127.34 3itk s ILE 87 Ca 0.37 -0.48 0.16 0.00 0.00 0.00 0.00 60.65 60.70 3itk s ILE 87 Cb -0.19 -3.65 0.48 0.00 0.01 0.00 0.00 42.46 39.10 3itk s ILE 87 CO 0.21 -0.10 1.10 -0.24 0.00 0.00 0.00 174.94 175.90 3itk n SER 88 N 5.07 2.75 -4.97 3.58 2.88 0.29 -1.45 113.62 121.77 3itk n SER 88 Ca -0.12 -2.80 -0.21 0.00 -1.33 0.00 0.00 58.87 54.40 3itk n SER 88 Cb 0.48 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 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 -4.07 4.91 0.55 2.46 -7.23 -1.20 -4.40 120.40 111.42 3itk s VAL 89 Ca 0.35 -0.82 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 3itk s VAL 89 Cb 0.38 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.53 3itk s VAL 89 CO -0.02 -0.36 1.32 0.20 -0.31 0.00 0.00 175.10 175.93 3itk s ASN 90 N -4.05 5.27 -0.63 4.85 0.01 -1.26 -4.75 114.94 114.39 3itk s ASN 90 Ca 0.39 2.67 0.05 0.00 -0.71 0.00 0.00 52.86 55.26 3itk s ASN 90 Cb -0.09 -2.63 0.19 0.00 0.41 0.00 0.00 41.25 39.13 3itk s ASN 90 CO 0.32 -1.56 0.52 0.35 -1.51 0.00 0.00 177.10 175.22 3itk n THR 91 N -1.12 1.16 -1.29 1.60 -2.24 -1.26 -4.59 114.28 106.53 3itk n THR 91 Ca 0.11 -4.64 -0.33 0.00 -2.27 0.00 0.00 64.05 56.92 3itk n THR 91 Cb 0.46 -2.06 0.10 0.00 -2.10 0.00 0.00 70.33 66.73 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 -1.39 2.01 0.27 -0.78 0.04 -1.26 -4.36 135.00 129.52 3itk s PRO 92 Ca 0.30 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 3itk s PRO 92 Cb 0.02 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 3itk s PRO 92 CO -0.14 -1.89 1.26 0.99 0.04 0.00 0.00 177.00 177.25 3itk s THR 93 N -2.34 3.10 0.38 1.26 2.01 -1.26 -0.53 115.64 118.26 3itk s THR 93 Ca 0.69 1.02 -0.27 0.00 0.31 0.00 0.00 61.69 63.44 3itk s THR 93 Cb -0.24 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.51 3itk s THR 93 CO 0.49 0.21 1.39 0.29 -0.69 0.00 0.00 174.62 176.31 3itk n LYS 94 N 1.61 2.36 -0.11 4.92 5.02 -0.05 -4.79 118.16 127.11 3itk n LYS 94 Ca 0.02 0.83 0.07 0.00 -2.02 0.00 0.00 58.31 57.22 3itk n LYS 94 Cb 0.43 -2.53 0.13 0.00 -0.02 0.00 0.00 35.03 33.04 3itk n LYS 94 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3itk n THR 95 N 0.22 0.46 -3.63 -0.18 -2.24 -1.26 -0.76 114.28 106.90 3itk n THR 95 Ca 0.03 -0.73 -0.08 0.00 -2.27 0.00 0.00 64.05 61.01 3itk n THR 95 Cb 0.38 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.13 -0.31 0.00 4.78 -0.85 -1.26 -4.84 117.35 113.74 3itk s TYR 96 Ca 0.23 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 3itk s TYR 96 Cb 0.14 0.61 0.00 0.00 0.38 0.00 0.00 41.96 43.09 3itk s TYR 96 CO 0.20 -0.88 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 3itk n GLY 97 N -0.39 -1.75 3.68 5.49 0.00 -1.26 -4.36 105.19 106.60 3itk n GLY 97 Ca -0.09 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3itk n GLY 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3itk n MET 98 N 0.00 2.84 -0.99 1.61 2.81 -1.26 -0.95 117.12 121.18 3itk n MET 98 Ca 0.00 1.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.92 3itk n MET 98 Cb 0.00 -2.95 0.00 0.00 -0.71 0.00 0.00 33.22 29.56 3itk n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3itk n GLY 99 N 4.35 0.39 3.65 3.03 0.00 -1.26 -4.85 105.19 110.50 3itk n GLY 99 Ca 0.19 -1.05 -0.59 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.99 0.71 -0.73 1.61 4.81 -0.13 -0.54 118.16 120.91 3itk n LYS 100 Ca 0.00 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3itk n LYS 100 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 3.27 1.02 2.00 3.14 0.00 0.06 -4.75 105.19 109.93 3itk n GLY 101 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 0.00 -2.06 1.61 1.74 -0.67 -4.97 116.66 110.32 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 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 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 -2.00 2.99 0.34 7.54 0.00 0.30 -3.49 121.76 127.43 3itk s ALA 103 Ca 0.00 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 3itk s ALA 103 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3itk s ALA 103 CO 0.00 -0.92 1.01 0.00 0.00 0.00 0.00 175.76 175.84 3itk s ALA 104 N -1.40 3.21 -0.35 0.00 0.00 -1.26 -0.88 121.76 121.08 3itk s ALA 104 Ca 0.65 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 3itk s ALA 104 Cb -0.35 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3itk s ALA 104 CO 0.42 -0.01 0.24 0.34 0.00 0.00 0.00 175.76 176.75 3itk s ASP 105 N -1.45 6.02 0.00 0.00 -1.08 0.31 -4.72 116.67 115.75 3itk s ASP 105 Ca 0.51 -0.54 0.08 0.00 -0.52 0.00 0.00 52.55 52.08 3itk s ASP 105 Cb -0.22 -2.13 0.32 0.00 -1.46 0.00 0.00 42.92 39.42 3itk s ASP 105 CO 0.28 -0.28 1.23 0.18 0.52 0.00 0.00 175.17 177.10 3itk n LEU 106 N 5.10 0.68 -0.33 -1.34 4.77 -1.26 -4.18 117.00 120.44 3itk n LEU 106 Ca -0.12 -0.33 0.01 0.00 -0.03 0.00 0.00 56.01 55.54 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 0.37 0.16 1.22 0.07 -1.33 0.00 0.00 177.39 177.88 3itk h LYS 107 N 0.77 1.02 -0.19 3.23 2.10 -1.93 0.10 116.57 121.67 3itk h LYS 107 Ca 0.00 -0.06 -0.18 0.00 -2.00 0.00 0.00 60.65 58.41 3itk h LYS 107 Cb 0.17 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 3itk h LYS 107 CO 0.00 0.67 -0.60 1.88 -2.00 0.00 0.00 179.45 179.40 3itk h TYR 108 N 1.05 0.80 -0.19 0.07 0.05 -1.81 -1.48 116.97 115.46 3itk h TYR 108 Ca 0.39 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3itk h TYR 108 Cb 0.14 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3itk h TYR 108 CO -0.02 1.07 0.08 0.82 -1.05 0.00 0.00 178.16 179.05 3itk h ILE 109 N 0.47 1.15 -0.61 -2.88 1.08 -1.58 -1.13 117.51 114.01 3itk h ILE 109 Ca -0.00 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 3itk h ILE 109 Cb 1.17 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3itk h ILE 109 CO 0.12 0.15 0.36 -0.08 -0.69 0.00 0.00 178.15 178.00 3itk h GLU 110 N 0.15 0.84 -0.66 2.37 4.81 -0.95 -0.89 114.58 120.24 3itk h GLU 110 Ca 0.06 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3itk h GLU 110 Cb 0.16 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3itk h GLU 110 CO -0.01 0.61 0.38 0.00 -0.73 0.00 0.00 179.01 179.26 3itk h ALA 111 N 1.18 0.88 -0.12 2.92 0.00 -1.08 -0.43 119.26 122.61 3itk h ALA 111 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3itk h ALA 111 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3itk h ALA 111 CO -0.04 0.07 0.07 0.00 0.00 0.00 0.00 179.25 179.35 3itk h ALA 113 N 1.00 0.13 -0.88 0.00 0.00 -0.74 0.27 119.26 119.04 3itk h ALA 113 Ca 0.04 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3itk h ALA 113 Cb 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3itk h ALA 113 CO -0.01 -0.46 0.56 0.00 0.00 0.00 0.00 179.25 179.35 3itk h ARG 114 N 0.04 1.04 -0.53 0.00 3.08 -0.95 -1.53 114.38 115.51 3itk h ARG 114 Ca 0.07 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3itk h ARG 114 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3itk h ARG 114 CO -0.14 0.69 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.29 3itk h ARG 115 N 1.07 0.96 -0.22 0.04 2.43 -0.43 -2.16 114.38 116.06 3itk h ARG 115 Ca 0.36 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3itk h ARG 115 Cb 0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3itk h ARG 115 CO -0.14 0.99 0.13 0.82 -1.51 0.00 0.00 179.97 180.26 3itk h ILE 116 N 0.87 1.10 -0.46 1.20 2.04 0.13 -1.84 117.51 120.55 3itk h ILE 116 Ca 0.14 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 3itk h ILE 116 Cb 0.61 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3itk h ILE 116 CO 0.04 0.09 -0.13 1.62 0.00 0.00 0.00 178.15 179.78 3itk h VAL 117 N 0.27 1.26 -0.39 1.67 3.04 -1.27 -2.31 116.25 118.52 3itk h VAL 117 Ca 0.08 -1.22 -0.05 0.00 -1.01 0.00 0.00 66.70 64.50 3itk h VAL 117 Cb 0.04 1.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 3itk h VAL 117 CO -0.01 0.42 0.04 -0.61 -1.01 0.00 0.00 177.57 176.40 3itk h GLN 118 N 0.76 0.60 -0.59 4.17 4.15 -1.24 -3.07 115.11 119.90 3itk h GLN 118 Ca 0.12 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3itk h GLN 118 Cb 0.64 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3itk h GLN 118 CO 0.04 0.59 0.00 0.09 -1.93 0.00 0.00 178.83 177.63 3itk n ASN 119 N -4.29 5.08 -4.40 -0.69 3.02 -0.70 -5.00 115.26 108.28 3itk n ASN 119 Ca 0.02 -2.68 -0.30 0.00 -0.03 0.00 0.00 54.58 51.59 3itk n ASN 119 Cb 0.23 -0.61 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.94 3.47 0.04 6.41 0.01 -0.91 -3.93 113.70 117.85 3itk s SER 120 Ca 0.52 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 3itk s SER 120 Cb 0.36 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 3itk s SER 120 CO 0.20 0.24 -0.02 0.20 0.41 0.00 0.00 173.24 174.27 3itk s ASN 121 N -1.52 0.38 0.56 2.44 -0.87 -1.26 -4.98 114.94 109.69 3itk s ASN 121 Ca 0.14 -0.80 0.00 0.00 -1.57 0.00 0.00 52.86 50.63 3itk s ASN 121 Cb -0.10 0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.30 3itk s ASN 121 CO 0.04 -0.50 0.00 0.61 -2.57 0.00 0.00 177.10 174.69 3itk n GLY 122 N 0.65 0.63 3.70 0.66 0.00 -1.13 -4.78 105.19 104.91 3itk n GLY 122 Ca -0.18 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 3.39 0.02 1.61 5.04 -1.26 -0.77 117.35 125.38 3itk s TYR 123 Ca 0.00 0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 54.96 3itk s TYR 123 Cb 0.00 -2.28 -0.00 0.00 0.35 0.00 0.00 41.96 40.02 3itk s TYR 123 CO 0.00 0.17 0.12 0.15 -1.34 0.00 0.00 175.55 174.65 3itk s LYS 124 N 0.72 0.54 -0.20 4.97 1.02 -0.88 -4.85 119.74 121.06 3itk s LYS 124 Ca 0.11 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.45 3itk s LYS 124 Cb -0.13 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3itk s LYS 124 CO 0.03 -0.13 0.08 0.42 -0.92 0.00 0.00 175.35 174.82 3itk s ILE 125 N -1.99 4.88 -0.16 2.17 1.01 -0.09 -1.39 121.20 125.64 3itk s ILE 125 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 3itk s ILE 125 Cb -0.05 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 3itk s ILE 125 CO -0.01 0.43 -0.14 -0.69 0.00 0.00 0.00 174.94 174.53 3itk s VAL 126 N 0.55 2.74 -0.10 2.92 1.01 0.14 -0.43 120.40 127.23 3itk s VAL 126 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3itk s VAL 126 Cb -0.13 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3itk s VAL 126 CO 0.01 0.51 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 3itk s THR 127 N 0.81 1.44 -0.28 3.92 2.01 0.22 -0.49 115.64 123.26 3itk s THR 127 Ca -0.05 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 3itk s THR 127 Cb -0.15 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.06 3itk s THR 127 CO 0.00 0.43 1.10 -1.61 -0.69 0.00 0.00 174.62 173.85 3itk s GLU 128 N 0.93 4.12 -0.10 4.92 2.02 -0.79 -0.71 118.70 129.10 3itk s GLU 128 Ca -0.08 1.22 0.14 0.00 0.02 0.00 0.00 54.97 56.27 3itk s GLU 128 Cb -0.15 -3.72 -0.20 0.00 0.10 0.00 0.00 34.13 30.16 3itk s GLU 128 CO -0.00 -0.83 0.15 1.17 0.02 0.00 0.00 175.26 175.76 3itk n LYS 129 N 6.73 1.26 -1.96 1.61 3.00 -0.53 -1.37 118.16 126.89 3itk n LYS 129 Ca 0.12 -0.05 -0.32 0.00 -0.00 0.00 0.00 58.31 58.06 3itk n LYS 129 Cb 0.47 -1.37 0.01 0.00 0.00 0.00 0.00 35.03 34.14 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 -4.46 5.80 -0.34 3.14 1.04 -1.17 -3.67 113.70 114.04 3itk s SER 130 Ca -0.07 1.73 -0.28 0.00 0.48 0.00 0.00 55.95 57.81 3itk s SER 130 Cb 0.06 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 3itk s SER 130 CO 0.61 -1.16 1.79 0.00 0.98 0.00 0.00 173.24 175.47 3itk s ALA 131 N -2.64 2.85 0.24 5.32 0.00 -1.26 -4.89 121.76 121.37 3itk s ALA 131 Ca 0.61 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.90 3itk s ALA 131 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 3itk s ALA 131 CO 0.41 -2.67 -0.12 0.14 0.00 0.00 0.00 175.76 173.53 3itk s VAL 132 N 6.92 2.94 0.57 0.00 -7.23 -1.26 -4.69 120.40 117.65 3itk s VAL 132 Ca 0.79 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 3itk s VAL 132 Cb -0.22 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 3itk s VAL 132 CO 0.33 -0.28 1.06 -2.16 -0.31 0.00 0.00 175.10 173.74 3itk s PRO 133 N -3.26 3.41 0.29 4.82 0.04 -1.26 -4.90 135.00 134.13 3itk s PRO 133 Ca 0.28 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3itk s PRO 133 Cb -0.07 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3itk s PRO 133 CO 0.16 -0.74 1.56 0.08 0.04 0.00 0.00 177.00 178.10 3itk s VAL 134 N -2.33 2.18 0.00 -0.36 1.01 -1.26 -1.46 120.40 118.19 3itk s VAL 134 Ca 0.65 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3itk s VAL 134 Cb -0.16 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3itk s VAL 134 CO 0.33 0.03 0.00 0.54 0.00 0.00 0.00 175.10 176.00 3itk n ARG 135 N 2.15 0.00 -0.29 2.72 3.00 -1.26 -4.96 116.66 118.02 3itk n ARG 135 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.02 3itk n ARG 135 Cb 0.38 -1.09 0.27 0.00 0.00 0.00 0.00 32.46 32.02 3itk n ARG 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3itk h ALA 136 N 0.00 1.31 0.00 7.54 0.00 -1.62 -0.49 119.26 125.99 3itk h ALA 136 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3itk h ALA 136 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3itk h ALA 136 CO 0.00 -0.31 -0.36 0.00 0.00 0.00 0.00 179.25 178.58 3itk h ALA 137 N 1.67 1.35 -0.73 0.00 0.00 -1.93 -1.53 119.26 118.09 3itk h ALA 137 Ca 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3itk h ALA 137 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3itk h ALA 137 CO -0.51 0.44 0.40 1.49 0.00 0.00 0.00 179.25 181.08 3itk h GLU 138 N 0.00 1.01 -0.27 0.00 4.81 -1.51 -1.14 114.58 117.48 3itk h GLU 138 Ca -0.00 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3itk h GLU 138 Cb 0.65 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3itk h GLU 138 CO 0.05 0.75 0.05 0.77 -0.73 0.00 0.00 179.01 179.89 3itk h SER 139 N 1.00 0.43 -0.79 1.04 0.02 -0.89 -0.73 113.55 113.63 3itk h SER 139 Ca 0.26 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3itk h SER 139 Cb 0.03 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3itk h SER 139 CO -0.04 0.58 0.51 0.40 -1.14 0.00 0.00 176.83 177.14 3itk h ILE 140 N 0.27 1.21 -0.60 3.27 2.04 -1.15 -1.59 117.51 120.95 3itk h ILE 140 Ca 0.08 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 3itk h ILE 140 Cb 0.33 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 3itk h ILE 140 CO 0.00 0.21 0.10 0.03 0.00 0.00 0.00 178.15 178.50 3itk h ARG 141 N 1.08 0.96 -0.29 2.37 3.08 -0.90 -1.72 114.38 118.96 3itk h ARG 141 Ca 0.29 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3itk h ARG 141 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3itk h ARG 141 CO -0.06 0.89 0.17 0.00 -1.07 0.00 0.00 179.97 179.89 3itk h ARG 142 N 0.91 0.40 -0.44 0.04 2.47 -0.45 0.79 114.38 118.10 3itk h ARG 142 Ca 0.19 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 3itk h ARG 142 Cb 0.39 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 3itk h ARG 142 CO 0.01 0.33 0.23 0.82 0.56 0.00 0.00 179.97 181.93 3itk h ILE 143 N 0.36 1.17 -0.57 2.04 2.04 -1.07 0.31 117.51 121.79 3itk h ILE 143 Ca 0.10 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 3itk h ILE 143 Cb 0.04 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3itk h ILE 143 CO -0.02 0.18 -0.00 -0.26 0.00 0.00 0.00 178.15 178.05 3itk h PHE 144 N 0.58 1.06 -0.37 1.37 0.04 -1.06 -2.30 116.94 116.26 3itk h PHE 144 Ca 0.15 -0.17 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 3itk h PHE 144 Cb 0.08 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 3itk h PHE 144 CO -0.02 0.95 -0.25 -0.44 -0.60 0.00 0.00 178.31 177.95 3itk h ASP 145 N 0.90 0.77 1.25 2.17 3.32 -0.58 -3.11 116.42 121.13 3itk h ASP 145 Ca 0.16 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3itk h ASP 145 Cb 0.53 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3itk h ASP 145 CO 0.03 0.99 -0.14 0.00 -1.72 0.00 0.00 179.24 178.40 3itk h ALA 146 N 1.07 0.97 -0.84 3.45 0.00 -0.68 -3.29 119.26 119.93 3itk h ALA 146 Ca 0.09 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 3itk h ALA 146 Cb 0.76 -0.02 -0.43 0.00 0.00 0.00 0.00 17.79 18.10 3itk h ALA 146 CO 0.06 0.18 -0.83 0.09 0.00 0.00 0.00 179.25 178.75 3itk n ASN 147 N -3.22 4.67 -4.83 0.00 3.02 -0.89 -5.08 115.26 108.94 3itk n ASN 147 Ca 0.01 -3.64 -0.31 0.00 -0.03 0.00 0.00 54.58 50.62 3itk n ASN 147 Cb 0.45 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 -4.67 4.17 0.07 3.41 -1.32 -1.18 -4.94 115.64 111.18 3itk s THR 148 Ca 0.49 0.71 0.02 0.00 -1.21 0.00 0.00 61.69 61.70 3itk s THR 148 Cb 0.40 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 67.86 3itk s THR 148 CO 0.00 -0.92 -0.07 -0.54 -2.21 0.00 0.00 174.62 170.89 3itk s LYS 149 N -5.06 0.69 0.18 7.08 1.02 -1.26 -5.08 119.74 117.30 3itk s LYS 149 Ca 0.57 -1.07 -0.33 0.00 0.02 0.00 0.00 55.97 55.16 3itk s LYS 149 Cb -0.13 -0.23 -0.14 0.00 -0.52 0.00 0.00 37.83 36.81 3itk s LYS 149 CO 0.55 0.01 1.56 -2.30 -0.92 0.00 0.00 175.35 174.25 3itk n PRO 150 N 0.64 2.17 -1.09 -1.68 -0.02 -1.26 -1.40 135.00 132.36 3itk n PRO 150 Ca -0.17 0.78 -0.03 0.00 -2.02 0.00 0.00 63.50 62.06 3itk n PRO 150 Cb 0.58 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.24 -4.86 -4.69 2.55 3.02 -1.26 -4.82 115.26 108.45 3itk n ASN 151 Ca 0.16 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 3itk n ASN 151 Cb 0.29 -2.62 -0.04 0.00 -0.61 0.00 0.00 39.78 36.80 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 -0.69 4.23 -0.34 3.41 2.96 -0.49 -2.86 118.68 124.90 3itk s LEU 152 Ca 0.00 1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 3itk s LEU 152 Cb 0.00 -3.14 0.12 0.00 0.50 0.00 0.00 46.19 43.67 3itk s LEU 152 CO 0.00 -0.27 0.17 0.21 -1.32 0.00 0.00 176.35 175.14 3itk s ASN 153 N 1.02 3.50 -0.25 3.68 2.47 0.05 -4.78 114.94 120.63 3itk s ASN 153 Ca 0.37 -1.89 -0.09 0.00 0.42 0.00 0.00 52.86 51.67 3itk s ASN 153 Cb -0.17 -0.61 -0.04 0.00 -1.45 0.00 0.00 41.25 38.98 3itk s ASN 153 CO 0.15 -0.36 0.13 -0.76 -3.72 0.00 0.00 177.10 172.53 3itk s LEU 154 N 1.36 3.78 -0.14 3.21 1.43 -1.26 -2.06 118.68 124.99 3itk s LEU 154 Ca 0.13 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3itk s LEU 154 Cb -0.20 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3itk s LEU 154 CO -0.16 -0.01 0.07 -1.10 0.23 0.00 0.00 176.35 175.38 3itk s GLN 155 N 1.47 3.62 -0.20 1.70 -1.52 -0.49 -4.96 119.66 119.28 3itk s GLN 155 Ca 0.06 -0.30 -0.06 0.00 -1.95 0.00 0.00 55.36 53.11 3itk s GLN 155 Cb -0.15 -3.11 -0.03 0.00 -0.22 0.00 0.00 33.01 29.50 3itk s GLN 155 CO 0.06 0.50 0.03 0.08 -0.25 0.00 0.00 175.29 175.71 3itk s VAL 156 N -0.27 4.28 0.29 1.09 1.01 -1.26 0.25 120.40 125.78 3itk s VAL 156 Ca 0.09 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3itk s VAL 156 Cb -0.12 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 3itk s VAL 156 CO 0.01 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.66 3itk s LEU 157 N 0.79 2.61 -0.08 3.92 1.43 0.35 -4.61 118.68 123.09 3itk s LEU 157 Ca 0.02 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.02 3itk s LEU 157 Cb -0.14 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 3itk s LEU 157 CO 0.02 -0.16 -0.16 -0.55 0.23 0.00 0.00 176.35 175.73 3itk s SER 158 N -3.50 3.78 -0.45 2.29 0.15 0.19 -1.88 113.70 114.29 3itk s SER 158 Ca 0.30 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.67 3itk s SER 158 Cb 0.00 -1.16 0.18 0.00 -1.71 0.00 0.00 66.02 63.33 3itk s SER 158 CO 0.14 0.25 0.49 0.21 1.20 0.00 0.00 173.24 175.52 3itk s ASN 159 N -0.16 0.31 0.66 5.45 3.04 -0.47 -0.04 114.94 123.72 3itk s ASN 159 Ca -0.01 -2.55 -0.15 0.00 0.04 0.00 0.00 52.86 50.19 3itk s ASN 159 Cb -0.14 0.47 -0.00 0.00 -1.54 0.00 0.00 41.25 40.04 3itk s ASN 159 CO 0.03 -0.13 1.10 -2.84 -3.04 0.00 0.00 177.10 172.22 3itk s PRO 160 N 0.39 2.87 -0.01 0.43 0.02 -1.25 -4.26 135.00 133.19 3itk s PRO 160 Ca 0.32 1.32 -0.16 0.00 0.02 0.00 0.00 61.00 62.49 3itk s PRO 160 Cb 0.02 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 3itk s PRO 160 CO -0.14 -1.19 0.45 -2.00 -0.33 0.00 0.00 177.00 173.80 3itk s GLU 161 N -4.19 4.07 -0.57 5.54 -6.30 -1.24 -4.69 118.70 111.31 3itk s GLU 161 Ca 0.65 0.48 0.06 0.00 -2.50 0.00 0.00 54.97 53.67 3itk s GLU 161 Cb -0.19 -3.27 0.23 0.00 0.00 0.00 0.00 34.13 30.90 3itk s GLU 161 CO 0.42 0.57 0.63 1.19 0.02 0.00 0.00 175.26 178.09 3itk n PHE 162 N 2.18 2.31 -4.70 5.30 3.72 -1.26 -4.99 117.46 120.03 3itk n PHE 162 Ca -0.12 -3.98 -0.31 0.00 -0.05 0.00 0.00 57.45 52.99 3itk n PHE 162 Cb 0.52 -0.46 -0.13 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.84 2.67 0.08 4.37 1.43 -1.26 -4.93 118.68 119.20 3itk s LEU 163 Ca 0.36 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3itk s LEU 163 Cb 0.12 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3itk s LEU 163 CO -0.07 0.27 -0.20 0.00 0.23 0.00 0.00 176.35 176.58 3itk s ALA 164 N -0.89 2.55 0.31 4.21 0.00 -1.26 -5.04 121.76 121.64 3itk s ALA 164 Ca 0.14 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 3itk s ALA 164 Cb -0.11 -0.62 -0.11 0.00 0.00 0.00 0.00 23.12 22.28 3itk s ALA 164 CO 0.05 0.57 1.58 -1.21 0.00 0.00 0.00 175.76 176.75 3itk s GLU 165 N -1.76 4.11 0.00 0.00 0.41 -1.26 -2.50 118.70 117.70 3itk s GLU 165 Ca 0.15 2.59 0.00 0.00 -0.41 0.00 0.00 54.97 57.31 3itk s GLU 165 Cb -0.10 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 3itk s GLU 165 CO 0.07 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 174.62 3itk n GLY 166 N 1.85 2.05 0.04 -1.39 0.00 -1.26 -4.79 105.19 101.69 3itk n GLY 166 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.71 -0.19 2.61 -2.24 -1.04 -4.45 114.28 107.68 3itk n THR 167 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3itk n THR 167 Cb 0.00 0.58 0.10 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.63 -0.11 6.98 0.00 -1.83 0.10 119.26 125.03 3itk h ALA 168 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3itk h ALA 168 Cb 0.77 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3itk h ALA 168 CO 0.00 -0.35 -0.23 0.82 0.00 0.00 0.00 179.25 179.49 3itk h ILE 169 N 0.19 1.39 -0.41 0.00 1.08 -1.91 0.74 117.51 118.59 3itk h ILE 169 Ca 0.30 -1.52 0.07 0.00 -0.39 0.00 0.00 64.86 63.33 3itk h ILE 169 Cb 0.47 2.10 -0.06 0.00 -3.07 0.00 0.00 36.82 36.25 3itk h ILE 169 CO -0.44 0.44 0.03 0.11 -0.69 0.00 0.00 178.15 177.60 3itk h LYS 170 N -0.08 0.14 -0.85 2.37 1.57 -1.80 0.00 116.57 117.93 3itk h LYS 170 Ca 0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3itk h LYS 170 Cb 0.82 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 3itk h LYS 170 CO 0.05 0.09 0.56 -0.44 -0.57 0.00 0.00 179.45 179.14 3itk h ASP 171 N 0.15 0.90 0.37 0.86 3.32 -0.55 -0.12 116.42 121.33 3itk h ASP 171 Ca 0.20 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.97 3itk h ASP 171 Cb 0.27 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.63 3itk h ASP 171 CO -0.30 0.62 -1.16 -0.07 -1.72 0.00 0.00 179.24 176.60 3itk h LEU 172 N 1.04 0.62 -0.19 1.55 3.38 -0.32 -2.72 115.31 118.67 3itk h LEU 172 Ca 0.34 -0.58 -0.22 0.00 0.09 0.00 0.00 57.88 57.51 3itk h LEU 172 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3itk h LEU 172 CO -0.10 1.41 -0.92 0.11 0.09 0.00 0.00 178.44 179.02 3itk h LYS 173 N 0.19 0.42 -2.06 1.13 1.57 -0.83 -3.39 116.57 113.61 3itk h LYS 173 Ca -0.14 -0.44 -0.56 0.00 -1.87 0.00 0.00 60.65 57.64 3itk h LYS 173 Cb 1.84 0.12 -0.40 0.00 0.08 0.00 0.00 32.23 33.87 3itk h LYS 173 CO 0.20 1.10 -0.98 -1.71 -0.57 0.00 0.00 179.45 177.50 3itk n ASN 174 N -3.76 1.30 -4.79 0.86 5.15 -0.08 -4.90 115.26 109.04 3itk n ASN 174 Ca -0.07 -2.95 -0.35 0.00 -0.60 0.00 0.00 54.58 50.61 3itk n ASN 174 Cb 0.82 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 39.38 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 -1.74 4.19 0.21 1.20 0.04 -1.03 -4.68 135.00 133.20 3itk s PRO 175 Ca 0.37 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 3itk s PRO 175 Cb 0.19 -2.44 0.20 0.00 0.04 0.00 0.00 34.50 32.50 3itk s PRO 175 CO -0.08 -0.09 1.86 -0.44 0.04 0.00 0.00 177.00 178.28 3itk h ASP 176 N 2.34 0.79 -4.96 6.66 3.32 -1.95 -3.45 116.42 119.17 3itk h ASP 176 Ca -0.48 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 3itk h ASP 176 Cb 1.20 -0.18 -0.16 0.00 0.22 0.00 0.00 39.33 40.42 3itk h ASP 176 CO 0.62 0.55 0.22 0.00 -1.72 0.00 0.00 179.24 178.91 3itk s ARG 177 N -6.12 1.14 -0.11 3.56 3.03 -1.26 -4.86 118.95 114.33 3itk s ARG 177 Ca -0.13 -0.09 -0.02 0.00 2.03 0.00 0.00 55.73 57.52 3itk s ARG 177 Cb 0.16 0.53 -0.03 0.00 -1.03 0.00 0.00 34.95 34.58 3itk s ARG 177 CO 0.78 -0.43 -0.04 0.08 -1.13 0.00 0.00 175.30 174.56 3itk s VAL 178 N -2.39 3.95 -0.14 4.99 1.01 0.28 -4.98 120.40 123.12 3itk s VAL 178 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3itk s VAL 178 Cb -0.00 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3itk s VAL 178 CO -0.01 0.55 -0.22 -0.22 0.00 0.00 0.00 175.10 175.21 3itk s LEU 179 N -0.30 2.14 -0.05 3.92 2.96 -1.26 0.04 118.68 126.13 3itk s LEU 179 Ca 0.05 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3itk s LEU 179 Cb -0.12 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3itk s LEU 179 CO 0.02 0.09 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.45 3itk s ILE 180 N 0.79 0.64 -0.06 6.68 1.01 -0.22 -3.82 121.20 126.22 3itk s ILE 180 Ca -0.08 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.46 3itk s ILE 180 Cb -0.16 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3itk s ILE 180 CO -0.01 0.26 -0.20 -0.83 0.00 0.00 0.00 174.94 174.15 3itk s GLY 181 N 1.03 1.40 0.20 6.18 0.00 0.94 -0.95 107.32 116.12 3itk s GLY 181 Ca -0.09 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 43.48 3itk s GLY 181 CO -0.00 -0.65 0.46 -0.32 0.00 0.00 0.00 173.10 172.58 3itk s GLY 182 N -0.32 0.23 0.73 0.20 0.00 -0.74 -0.64 107.32 106.79 3itk s GLY 182 Ca 0.02 -0.58 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 3itk s GLY 182 CO 0.02 -0.51 1.15 1.22 0.00 0.00 0.00 173.10 174.99 3itk n ASP 183 N -0.32 1.16 -3.58 1.64 8.00 -1.26 -3.39 116.55 118.80 3itk n ASP 183 Ca -0.07 0.69 -0.41 0.00 0.71 0.00 0.00 54.79 55.72 3itk n ASP 183 Cb 0.62 -1.49 0.01 0.00 -0.02 0.00 0.00 41.12 40.24 3itk n ASP 183 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3itk n GLU 184 N -2.36 4.97 -4.33 -1.24 0.28 -1.26 -3.80 120.64 112.90 3itk n GLU 184 Ca 0.14 -4.05 -0.18 0.00 -0.16 0.00 0.00 57.16 52.92 3itk n GLU 184 Cb 0.49 -2.56 -0.10 0.00 1.43 0.00 0.00 31.44 30.70 3itk n GLU 184 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3itk s THR 185 N -2.62 1.50 0.24 3.84 -4.23 -1.26 -5.02 115.64 108.09 3itk s THR 185 Ca 0.46 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3itk s THR 185 Cb 0.18 -2.09 0.21 0.00 1.34 0.00 0.00 72.50 72.14 3itk s THR 185 CO -0.10 -0.56 1.80 -0.65 -0.54 0.00 0.00 174.62 174.57 3itk h PRO 186 N 2.56 0.72 -0.46 3.99 0.11 -1.99 0.26 132.00 137.18 3itk h PRO 186 Ca -0.38 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 3itk h PRO 186 Cb 1.22 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3itk h PRO 186 CO 0.63 0.48 -0.08 0.93 -0.21 0.00 0.00 178.00 179.75 3itk h GLU 187 N 0.74 0.87 -0.65 1.05 4.39 -1.97 -1.58 114.58 117.44 3itk h GLU 187 Ca 0.40 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.79 3itk h GLU 187 Cb 0.40 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3itk h GLU 187 CO -0.26 0.96 0.42 0.78 -1.16 0.00 0.00 179.01 179.75 3itk h GLY 188 N 0.71 0.91 1.71 -3.84 0.00 -1.64 -1.52 103.07 99.41 3itk h GLY 188 Ca 0.12 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3itk h GLY 188 CO 0.04 0.32 -0.47 1.46 0.00 0.00 0.00 176.54 177.89 3itk h GLN 189 N 0.86 0.32 -0.47 4.80 1.08 -0.85 0.53 115.11 121.38 3itk h GLN 189 Ca 0.24 -0.17 -0.12 0.00 -1.45 0.00 0.00 58.65 57.15 3itk h GLN 189 Cb -0.08 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3itk h GLN 189 CO -0.06 0.73 -0.17 0.00 -0.95 0.00 0.00 178.83 178.37 3itk h ARG 190 N 0.26 0.91 -0.27 1.46 3.08 -0.98 -0.14 114.38 118.69 3itk h ARG 190 Ca 0.02 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 3itk h ARG 190 Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3itk h ARG 190 CO 0.08 1.01 0.06 0.00 -1.07 0.00 0.00 179.97 180.04 3itk h ALA 191 N 1.00 0.36 -0.38 0.04 0.00 -0.92 -1.63 119.26 117.72 3itk h ALA 191 Ca 0.12 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3itk h ALA 191 Cb 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3itk h ALA 191 CO 0.06 0.03 0.10 0.28 0.00 0.00 0.00 179.25 179.71 3itk h VAL 192 N 0.26 0.84 -0.44 0.00 2.07 -0.74 -2.31 116.25 115.94 3itk h VAL 192 Ca 0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3itk h VAL 192 Cb 0.30 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3itk h VAL 192 CO 0.00 0.04 0.14 1.56 0.02 0.00 0.00 177.57 179.34 3itk h GLN 193 N 0.24 0.64 -0.66 1.57 1.08 -0.81 -0.82 115.11 116.35 3itk h GLN 193 Ca 0.18 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3itk h GLN 193 Cb 0.19 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 3itk h GLN 193 CO -0.21 0.56 0.17 0.00 -0.95 0.00 0.00 178.83 178.40 3itk h ALA 194 N 1.53 0.86 -0.02 3.87 0.00 -0.75 -1.51 119.26 123.23 3itk h ALA 194 Ca 0.15 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3itk h ALA 194 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3itk h ALA 194 CO -0.01 0.57 -0.84 1.25 0.00 0.00 0.00 179.25 180.23 3itk h LEU 195 N 0.97 0.38 -0.58 0.00 5.85 -1.12 -2.78 115.31 118.02 3itk h LEU 195 Ca 0.21 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3itk h LEU 195 Cb 0.35 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 3itk h LEU 195 CO 0.00 1.05 0.15 0.00 -0.34 0.00 0.00 178.44 179.31 3itk h ALA 197 N 1.44 1.76 0.34 0.00 0.00 -1.00 0.30 119.26 122.10 3itk h ALA 197 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3itk h ALA 197 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3itk h ALA 197 CO -0.36 0.18 -0.16 0.28 0.00 0.00 0.00 179.25 179.19 3itk h VAL 198 N 0.58 0.68 -0.10 0.00 2.07 -1.30 -2.90 116.25 115.26 3itk h VAL 198 Ca 0.21 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3itk h VAL 198 Cb 0.11 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3itk h VAL 198 CO -0.05 0.04 -0.07 1.88 0.02 0.00 0.00 177.57 179.39 3itk h TYR 199 N -0.57 0.15 0.00 1.57 -1.99 -0.94 -2.61 116.97 112.59 3itk h TYR 199 Ca -0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3itk h TYR 199 Cb 0.42 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.10 3itk h TYR 199 CO -0.03 0.23 0.00 0.39 -0.00 0.00 0.00 178.16 178.75 3itk n GLU 200 N -4.37 0.05 0.28 4.88 1.02 0.90 -0.60 120.64 122.79 3itk n GLU 200 Ca -0.01 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 3itk n GLU 200 Cb 0.20 -1.62 0.78 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.43 -3.38 115.15 113.88 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 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3itk h HIS 201 CO 0.00 0.04 0.00 -2.67 0.86 0.00 0.00 177.93 176.16 3itk n TRP 202 N -4.05 0.00 -4.19 2.45 2.14 -0.67 -5.03 117.44 108.09 3itk n TRP 202 Ca -0.03 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.20 3itk n TRP 202 Cb 0.12 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.50 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 3.96 0.45 -1.67 1.01 0.23 -5.01 120.40 119.37 3itk s VAL 203 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 3itk s VAL 203 Cb 0.00 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 3itk s VAL 203 CO 0.00 0.45 1.42 -2.84 0.00 0.00 0.00 175.10 174.13 3itk s PRO 204 N 0.75 3.69 0.46 2.72 0.02 -1.26 -4.26 135.00 137.12 3itk s PRO 204 Ca -0.00 2.41 0.19 0.00 0.02 0.00 0.00 61.00 63.61 3itk s PRO 204 Cb -0.14 -2.65 1.16 0.00 0.02 0.00 0.00 34.50 32.89 3itk s PRO 204 CO 0.02 -0.81 1.95 -0.09 -0.33 0.00 0.00 177.00 177.74 3itk h ARG 205 N 2.32 0.27 0.00 5.54 9.65 -1.95 -1.41 114.38 128.81 3itk h ARG 205 Ca -0.51 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3itk h ARG 205 Cb 1.27 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3itk h ARG 205 CO 0.61 0.18 0.00 1.05 2.80 0.00 0.00 179.97 184.61 3itk h GLU 206 N 0.28 0.00 -0.14 0.20 9.09 -2.03 -2.53 114.58 119.45 3itk h GLU 206 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 3itk h GLU 206 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 3itk h GLU 206 CO -0.08 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.61 3itk n LYS 207 N -2.71 2.19 -3.62 1.06 5.02 -0.53 -4.82 118.16 114.75 3itk n LYS 207 Ca 0.01 -1.76 -0.39 0.00 -2.02 0.00 0.00 58.31 54.15 3itk n LYS 207 Cb 0.23 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.84 4.89 -0.20 -0.18 1.01 -0.96 -0.56 121.20 123.36 3itk s ILE 208 Ca 0.33 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 3itk s ILE 208 Cb 0.21 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3itk s ILE 208 CO 0.31 0.12 -0.00 -0.22 0.00 0.00 0.00 174.94 175.14 3itk s LEU 209 N 1.67 3.24 -0.09 2.97 2.96 0.11 -4.96 118.68 124.58 3itk s LEU 209 Ca 0.06 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3itk s LEU 209 Cb -0.17 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3itk s LEU 209 CO 0.08 0.06 -0.01 0.42 -1.32 0.00 0.00 176.35 175.58 3itk s THR 210 N 1.04 4.21 0.34 3.68 -4.23 -1.26 -1.05 115.64 118.36 3itk s THR 210 Ca 0.02 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 3itk s THR 210 Cb -0.14 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 3itk s THR 210 CO 0.02 0.59 0.40 0.35 -0.54 0.00 0.00 174.62 175.43 3itk n THR 211 N 2.31 0.00 -1.72 3.99 -2.24 -0.13 -4.96 114.28 111.53 3itk n THR 211 Ca -0.18 -2.07 -0.30 0.00 -2.27 0.00 0.00 64.05 59.23 3itk n THR 211 Cb 0.53 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 69.97 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 -3.23 5.15 0.16 3.42 2.20 -1.26 -1.79 114.94 119.60 3itk s ASN 212 Ca 0.34 1.28 -0.15 0.00 -0.94 0.00 0.00 52.86 53.39 3itk s ASN 212 Cb 0.00 -2.09 0.04 0.00 -2.00 0.00 0.00 41.25 37.21 3itk s ASN 212 CO 0.24 -1.55 1.82 0.74 -2.94 0.00 0.00 177.10 175.41 3itk h THR 213 N -0.79 1.13 -0.65 0.54 2.02 -1.79 -2.22 112.91 111.15 3itk h THR 213 Ca -0.45 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3itk h THR 213 Cb 1.25 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3itk h THR 213 CO 0.61 0.13 0.20 -0.50 0.37 0.00 0.00 175.52 176.33 3itk h TRP 214 N 0.64 1.02 -0.53 3.16 6.55 -1.94 -1.75 115.95 123.11 3itk h TRP 214 Ca 0.17 -0.09 -0.07 0.00 0.95 0.00 0.00 58.89 59.85 3itk h TRP 214 Cb -0.05 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 27.93 3itk h TRP 214 CO -0.04 0.81 0.05 0.77 -1.05 0.00 0.00 178.44 178.99 3itk h SER 215 N 0.96 0.81 -0.04 -3.49 0.02 -1.85 -0.79 113.55 109.17 3itk h SER 215 Ca 0.21 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3itk h SER 215 Cb 0.27 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3itk h SER 215 CO -0.01 0.85 0.01 -1.28 -1.14 0.00 0.00 176.83 175.26 3itk h SER 216 N 0.80 0.06 -0.53 3.07 0.87 -0.87 -0.16 113.55 116.79 3itk h SER 216 Ca 0.16 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3itk h SER 216 Cb 0.41 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 3itk h SER 216 CO 0.01 0.29 0.30 -0.33 -0.53 0.00 0.00 176.83 176.58 3itk h GLU 217 N -0.18 0.74 -0.33 2.24 5.08 -1.22 -2.86 114.58 118.06 3itk h GLU 217 Ca 0.01 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3itk h GLU 217 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3itk h GLU 217 CO 0.00 0.57 -0.21 1.25 -1.00 0.00 0.00 179.01 179.62 3itk h LEU 218 N 0.71 0.62 -1.16 1.33 5.85 -1.06 -3.02 115.31 118.58 3itk h LEU 218 Ca 0.19 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3itk h LEU 218 Cb 0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3itk h LEU 218 CO -0.03 0.83 0.40 0.28 -0.34 0.00 0.00 178.44 179.58 3itk h SER 219 N 0.55 0.87 0.12 1.25 0.02 -0.79 0.38 113.55 115.95 3itk h SER 219 Ca 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3itk h SER 219 Cb 0.66 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3itk h SER 219 CO 0.05 0.69 -0.06 0.50 -1.14 0.00 0.00 176.83 176.87 3itk h LYS 220 N 0.99 -0.15 0.28 3.45 1.63 -1.44 -0.57 116.57 120.76 3itk h LYS 220 Ca 0.25 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 3itk h LYS 220 Cb 0.01 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3itk h LYS 220 CO -0.04 -0.08 -0.14 -0.07 -3.45 0.00 0.00 179.45 175.67 3itk h LEU 221 N -0.18 -0.32 -1.21 5.20 3.38 -1.53 -3.11 115.31 117.54 3itk h LEU 221 Ca -0.02 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3itk h LEU 221 Cb 0.14 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3itk h LEU 221 CO 0.03 -0.19 0.54 0.00 0.09 0.00 0.00 178.44 178.91 3itk h ALA 222 N 0.29 1.46 -0.67 1.53 0.00 -0.87 -1.61 119.26 119.40 3itk h ALA 222 Ca -0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3itk h ALA 222 Cb 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3itk h ALA 222 CO 0.06 0.47 0.18 0.00 0.00 0.00 0.00 179.25 179.96 3itk h ALA 223 N 1.51 0.88 -0.15 0.00 0.00 -1.06 -0.85 119.26 119.59 3itk h ALA 223 Ca 0.32 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3itk h ALA 223 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3itk h ALA 223 CO -0.08 0.59 -0.47 -0.91 0.00 0.00 0.00 179.25 178.37 3itk h ASN 224 N 0.99 0.41 -0.66 0.00 2.35 -1.43 -1.51 115.58 115.73 3itk h ASN 224 Ca 0.21 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3itk h ASN 224 Cb 0.35 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3itk h ASN 224 CO -0.00 0.82 0.43 0.00 -1.65 0.00 0.00 177.43 177.04 3itk h ALA 225 N 1.19 1.71 -0.04 -0.83 0.00 -0.81 -0.08 119.26 120.41 3itk h ALA 225 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3itk h ALA 225 Cb 0.95 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3itk h ALA 225 CO 0.08 0.20 -0.62 0.74 0.00 0.00 0.00 179.25 179.65 3itk h PHE 226 N 0.71 0.69 -0.16 0.00 -1.00 -0.83 -0.82 116.94 115.54 3itk h PHE 226 Ca 0.28 -0.35 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 3itk h PHE 226 Cb 0.19 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 3itk h PHE 226 CO -0.00 1.16 0.05 -0.07 -1.61 0.00 0.00 178.31 177.83 3itk h LEU 227 N 0.03 0.23 -1.33 1.54 3.38 -0.99 -2.53 115.31 115.64 3itk h LEU 227 Ca -0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3itk h LEU 227 Cb 1.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3itk h LEU 227 CO 0.12 0.38 0.18 0.00 0.09 0.00 0.00 178.44 179.21 3itk h ALA 228 N 0.86 1.48 -0.47 1.53 0.00 -1.02 -1.69 119.26 119.95 3itk h ALA 228 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3itk h ALA 228 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3itk h ALA 228 CO -0.00 0.40 0.11 0.37 0.00 0.00 0.00 179.25 180.13 3itk h GLN 229 N 0.63 0.70 -0.71 0.00 4.15 -0.86 -1.32 115.11 117.69 3itk h GLN 229 Ca 0.15 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3itk h GLN 229 Cb 0.13 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3itk h GLN 229 CO -0.02 0.64 0.27 0.00 -1.93 0.00 0.00 178.83 177.80 3itk h ARG 230 N 0.68 1.07 -0.15 1.69 3.08 -0.88 0.15 114.38 120.02 3itk h ARG 230 Ca 0.15 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3itk h ARG 230 Cb 0.26 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3itk h ARG 230 CO -0.00 0.88 -0.19 0.82 -1.07 0.00 0.00 179.97 180.41 3itk h ILE 231 N 1.04 1.35 -0.10 2.04 2.04 -1.33 -0.72 117.51 121.83 3itk h ILE 231 Ca 0.24 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 3itk h ILE 231 Cb 0.22 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3itk h ILE 231 CO -0.02 0.41 -0.17 0.28 0.00 0.00 0.00 178.15 178.65 3itk h SER 232 N 0.01 0.15 -0.10 1.72 0.02 -1.11 0.19 113.55 114.43 3itk h SER 232 Ca 0.02 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3itk h SER 232 Cb 0.74 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 3itk h SER 232 CO 0.04 0.34 -0.10 0.28 -1.14 0.00 0.00 176.83 176.26 3itk h SER 233 N 0.16 0.27 0.35 3.07 0.02 -0.45 0.14 113.55 117.10 3itk h SER 233 Ca 0.03 -0.48 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 3itk h SER 233 Cb 0.39 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3itk h SER 233 CO 0.03 0.69 -0.45 -0.29 -1.14 0.00 0.00 176.83 175.67 3itk h ILE 234 N -0.15 1.33 -0.76 3.27 6.09 -0.93 -2.06 117.51 124.29 3itk h ILE 234 Ca 0.02 -1.58 -0.03 0.00 -1.37 0.00 0.00 64.86 61.90 3itk h ILE 234 Cb 0.61 1.79 -0.04 0.00 0.47 0.00 0.00 36.82 39.65 3itk h ILE 234 CO 0.02 0.46 0.37 0.78 -3.07 0.00 0.00 178.15 176.72 3itk h ASN 235 N 0.10 0.98 -0.83 2.19 2.35 -0.53 -1.36 115.58 118.48 3itk h ASN 235 Ca 0.01 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3itk h ASN 235 Cb 0.84 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 3itk h ASN 235 CO 0.06 0.82 0.39 0.77 -1.65 0.00 0.00 177.43 177.83 3itk h SER 236 N 1.08 1.10 -0.22 5.81 4.64 -0.57 -1.91 113.55 123.49 3itk h SER 236 Ca 0.26 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 3itk h SER 236 Cb 0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3itk h SER 236 CO -0.03 0.93 -0.04 0.40 -0.87 0.00 0.00 176.83 177.22 3itk h ILE 237 N 1.19 1.21 -0.87 0.95 1.08 -1.03 -2.86 117.51 117.18 3itk h ILE 237 Ca 0.29 -0.88 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 3itk h ILE 237 Cb 0.13 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 3itk h ILE 237 CO -0.03 0.30 0.57 0.77 -0.69 0.00 0.00 178.15 179.06 3itk h SER 238 N 0.52 0.96 -0.91 1.72 4.64 -0.44 0.41 113.55 120.45 3itk h SER 238 Ca 0.11 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3itk h SER 238 Cb 0.39 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 3itk h SER 238 CO 0.02 0.67 0.58 0.00 -0.87 0.00 0.00 176.83 177.22 3itk h ALA 239 N 1.35 1.23 -0.10 5.18 0.00 -1.27 -1.44 119.26 124.21 3itk h ALA 239 Ca 0.34 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 3itk h ALA 239 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3itk h ALA 239 CO -0.10 0.38 -0.54 1.25 0.00 0.00 0.00 179.25 180.23 3itk h LEU 240 N 1.08 0.33 -0.58 0.00 5.85 -1.28 -2.77 115.31 117.93 3itk h LEU 240 Ca 0.38 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3itk h LEU 240 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3itk h LEU 240 CO -0.15 0.81 0.17 0.00 -0.34 0.00 0.00 178.44 178.92 3itk h GLU 242 N 0.83 0.05 0.00 0.00 5.08 -1.08 -0.84 114.58 118.62 3itk h GLU 242 Ca 0.19 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3itk h GLU 242 Cb 0.31 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3itk h GLU 242 CO -0.00 0.20 -0.55 0.00 -1.00 0.00 0.00 179.01 177.66 3itk h ALA 243 N 1.80 0.74 0.00 3.43 0.00 -1.18 -3.38 119.26 120.68 3itk h ALA 243 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3itk h ALA 243 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3itk h ALA 243 CO 0.02 0.11 -1.29 0.25 0.00 0.00 0.00 179.25 178.35 3itk n THR 244 N -2.92 0.29 0.00 0.00 -2.24 -0.62 -5.04 114.28 103.74 3itk n THR 244 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3itk n THR 244 Cb 0.58 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.76 0.71 3.75 3.38 0.00 -0.34 -5.07 105.19 110.38 3itk n GLY 245 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 2.13 -0.14 4.61 0.00 -1.22 -4.84 121.76 120.30 3itk s ALA 246 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3itk s ALA 246 Cb 0.00 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 3itk s ALA 246 CO 0.00 -1.92 -0.17 0.34 0.00 0.00 0.00 175.76 174.01 3itk s ASP 247 N -3.30 3.57 0.44 0.00 -1.08 -1.26 -4.46 116.67 110.59 3itk s ASP 247 Ca 0.62 -0.48 0.19 0.00 -0.52 0.00 0.00 52.55 52.36 3itk s ASP 247 Cb -0.18 -1.54 1.03 0.00 -1.46 0.00 0.00 42.92 40.78 3itk s ASP 247 CO 0.56 0.10 1.94 1.62 0.52 0.00 0.00 175.17 179.92 3itk h VAL 248 N 5.66 0.96 -0.12 1.11 3.04 -1.66 -1.35 116.25 123.89 3itk h VAL 248 Ca -0.30 -0.88 -0.20 0.00 -1.01 0.00 0.00 66.70 64.31 3itk h VAL 248 Cb 1.20 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 3itk h VAL 248 CO 0.55 0.23 -0.75 -0.33 -1.01 0.00 0.00 177.57 176.27 3itk h GLU 249 N 0.00 0.60 -0.37 4.17 4.39 -1.93 -0.05 114.58 121.39 3itk h GLU 249 Ca -0.00 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3itk h GLU 249 Cb 0.48 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3itk h GLU 249 CO 0.03 1.11 0.13 0.93 -1.16 0.00 0.00 179.01 180.05 3itk h GLU 250 N 0.41 0.57 -0.40 2.33 5.08 -1.77 -1.91 114.58 118.89 3itk h GLU 250 Ca -0.04 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3itk h GLU 250 Cb 1.35 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3itk h GLU 250 CO 0.14 0.58 0.09 0.28 -1.00 0.00 0.00 179.01 179.10 3itk h VAL 251 N 0.46 1.23 -0.73 3.13 2.07 -1.21 -1.80 116.25 119.40 3itk h VAL 251 Ca 0.12 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3itk h VAL 251 Cb 0.23 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3itk h VAL 251 CO -0.01 0.28 0.49 0.00 0.02 0.00 0.00 177.57 178.35 3itk h ALA 252 N 0.94 0.93 -0.37 1.67 0.00 -0.95 -0.15 119.26 121.33 3itk h ALA 252 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3itk h ALA 252 Cb 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3itk h ALA 252 CO 0.00 0.35 0.13 1.15 0.00 0.00 0.00 179.25 180.89 3itk h THR 253 N 1.00 1.20 -0.23 0.00 2.02 -1.19 -0.21 112.91 115.50 3itk h THR 253 Ca 0.27 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3itk h THR 253 Cb -0.11 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3itk h THR 253 CO -0.06 0.23 0.12 0.00 0.37 0.00 0.00 175.52 176.18 3itk h ALA 254 N 0.97 0.28 -0.24 6.16 0.00 -0.65 -2.41 119.26 123.36 3itk h ALA 254 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3itk h ALA 254 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3itk h ALA 254 CO -0.01 -0.28 0.10 0.82 0.00 0.00 0.00 179.25 179.88 3itk h ILE 255 N 0.26 1.17 0.00 0.00 2.04 -0.97 -3.16 117.51 116.84 3itk h ILE 255 Ca 0.09 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3itk h ILE 255 Cb 0.01 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3itk h ILE 255 CO -0.05 0.17 0.00 1.23 0.00 0.00 0.00 178.15 179.49 3itk h GLY 256 N 0.24 0.00 1.99 5.37 0.00 -0.90 -2.35 103.07 107.42 3itk h GLY 256 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3itk h GLY 256 CO -0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.56 3itk n MET 257 N -2.87 0.01 -2.43 4.80 2.81 -0.92 -2.77 117.12 115.75 3itk n MET 257 Ca 0.00 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.51 3itk n MET 257 Cb 0.23 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 3itk n MET 257 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3itk s ASP 258 N -2.99 6.62 0.62 7.83 -1.08 -0.89 -4.90 116.67 121.89 3itk s ASP 258 Ca 0.13 1.10 0.41 0.00 -0.52 0.00 0.00 52.55 53.67 3itk s ASP 258 Cb 0.17 -2.54 2.12 0.00 -1.46 0.00 0.00 42.92 41.21 3itk s ASP 258 CO 0.47 -1.14 2.25 1.56 0.52 0.00 0.00 175.17 178.83 3itk h GLN 259 N 9.47 0.00 0.00 4.34 4.20 -1.88 0.62 115.11 131.86 3itk h GLN 259 Ca -0.26 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 3itk h GLN 259 Cb 1.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 3itk h GLN 259 CO 1.05 0.00 -0.29 0.00 -0.67 0.00 0.00 178.83 178.92 3itk h ARG 260 N 0.00 0.00 0.03 1.46 3.08 -1.93 -3.31 114.38 113.71 3itk h ARG 260 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 3itk h ARG 260 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3itk h ARG 260 CO 0.00 0.29 -2.14 -0.89 -1.07 0.00 0.00 179.97 176.16 3itk n ILE 261 N -3.46 1.58 0.00 2.04 5.41 0.09 -5.11 119.36 119.90 3itk n ILE 261 Ca -0.00 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3itk n ILE 261 Cb 0.46 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 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 1.76 -1.46 1.34 7.39 0.00 -0.47 -4.80 105.19 108.95 3itk n GLY 262 Ca -0.42 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.50 3.92 -4.88 1.61 0.23 -1.12 -4.35 115.26 109.19 3itk n ASN 263 Ca 0.00 -2.00 -0.33 0.00 -0.53 0.00 0.00 54.58 51.72 3itk n ASN 263 Cb 0.00 -0.47 -0.05 0.00 -2.08 0.00 0.00 39.78 37.18 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 -1.05 3.72 -1.35 -3.83 -0.14 -1.26 -4.39 119.74 111.44 3itk s LYS 264 Ca 0.48 0.10 -0.04 0.00 -1.36 0.00 0.00 55.97 55.15 3itk s LYS 264 Cb 0.25 -2.86 0.00 0.00 -1.68 0.00 0.00 37.83 33.54 3itk s LYS 264 CO 0.33 0.47 0.58 1.19 -0.76 0.00 0.00 175.35 177.16 3itk n PHE 265 N 0.36 -1.80 -1.76 3.18 3.72 -1.26 -4.91 117.46 115.00 3itk n PHE 265 Ca -0.04 0.50 0.01 0.00 -0.05 0.00 0.00 57.45 57.87 3itk n PHE 265 Cb 0.52 -4.12 0.16 0.00 -0.94 0.00 0.00 39.48 35.10 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 -3.64 2.90 -4.36 4.37 4.77 -1.26 -3.85 117.00 115.93 3itk n LEU 266 Ca -0.09 -3.87 -0.42 0.00 -0.03 0.00 0.00 56.01 51.60 3itk n LEU 266 Cb 0.60 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3itk n LEU 266 CO 0.43 1.44 -0.07 -0.75 -1.33 0.00 0.00 177.39 177.11 3itk s LYS 267 N -3.04 2.83 0.56 3.23 2.47 -1.26 -4.84 119.74 119.68 3itk s LYS 267 Ca 0.40 -1.28 -0.21 0.00 -1.56 0.00 0.00 55.97 53.32 3itk s LYS 267 Cb 0.38 -3.91 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 3itk s LYS 267 CO -0.06 -0.89 1.25 0.00 0.16 0.00 0.00 175.35 175.81 3itk n ALA 268 N 5.06 1.16 -3.57 3.13 0.00 -1.26 -4.96 120.51 120.06 3itk n ALA 268 Ca -0.11 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 3itk n ALA 268 Cb 0.44 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 3itk n ALA 268 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3itk s SER 269 N -1.03 0.05 0.45 0.00 1.04 -1.26 -4.75 113.70 108.20 3itk s SER 269 Ca 0.74 -1.01 0.16 0.00 0.48 0.00 0.00 55.95 56.31 3itk s SER 269 Cb -0.42 0.74 1.05 0.00 0.10 0.00 0.00 66.02 67.49 3itk s SER 269 CO 0.48 -1.44 2.00 1.62 0.98 0.00 0.00 173.24 176.87 3itk h VAL 270 N 2.06 1.07 0.00 5.02 3.04 -1.45 -3.46 116.25 122.52 3itk h VAL 270 Ca -0.27 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3itk h VAL 270 Cb 1.25 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 3itk h VAL 270 CO 0.34 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 177.69 3itk n GLY 271 N -0.95 2.69 3.76 3.17 0.00 -1.26 -3.19 105.19 109.40 3itk n GLY 271 Ca -0.02 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 2.45 0.00 1.61 -0.12 -1.26 -4.52 117.98 114.14 3itk s PHE 272 Ca 0.00 1.56 0.00 0.00 -0.05 0.00 0.00 56.93 58.44 3itk s PHE 272 Cb 0.00 -3.30 0.00 0.00 -0.63 0.00 0.00 43.02 39.09 3itk s PHE 272 CO 0.00 -1.97 0.00 0.41 -0.05 0.00 0.00 175.22 173.61 3itk n GLY 273 N -0.07 5.25 0.00 1.99 0.00 -1.26 -4.71 105.19 106.39 3itk n GLY 273 Ca 0.12 -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 0.35 1.62 0.28 -0.02 0.00 0.18 -4.60 105.19 102.99 3itk n GLY 274 Ca 0.00 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 0.80 -0.05 1.61 3.41 -1.26 -4.33 113.62 113.81 3itk n SER 275 Ca 0.00 -1.90 -0.10 0.00 -0.26 0.00 0.00 58.87 56.61 3itk n SER 275 Cb 0.00 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.32 -0.84 -0.52 0.00 0.04 -1.81 0.87 116.94 114.36 3itk h PHE 277 Ca -0.23 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 3itk h PHE 277 Cb 1.20 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.60 3itk h PHE 277 CO -0.03 -0.48 0.26 0.37 -0.60 0.00 0.00 178.31 177.82 3itk h GLN 278 N -1.08 0.74 -0.16 1.51 4.15 -1.90 -1.32 115.11 117.06 3itk h GLN 278 Ca -0.09 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3itk h GLN 278 Cb 0.73 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 3itk h GLN 278 CO 0.15 0.61 0.08 -0.22 -1.93 0.00 0.00 178.83 177.52 3itk h LYS 279 N 0.69 0.23 -0.53 1.69 3.64 -1.82 -0.18 116.57 120.30 3itk h LYS 279 Ca 0.18 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3itk h LYS 279 Cb 0.11 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3itk h LYS 279 CO -0.02 0.26 0.10 -0.44 -2.27 0.00 0.00 179.45 177.08 3itk h ASP 280 N 0.14 0.82 -0.53 4.20 3.32 -0.56 -1.14 116.42 122.68 3itk h ASP 280 Ca 0.06 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3itk h ASP 280 Cb 0.10 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3itk h ASP 280 CO -0.01 0.86 0.15 0.58 -1.72 0.00 0.00 179.24 179.10 3itk h VAL 281 N 0.75 1.24 -0.23 -1.35 2.07 -1.14 -0.73 116.25 116.85 3itk h VAL 281 Ca 0.16 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3itk h VAL 281 Cb 0.38 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3itk h VAL 281 CO 0.01 0.30 -0.15 -0.07 0.02 0.00 0.00 177.57 177.68 3itk h LEU 282 N 0.74 0.37 -0.31 2.57 3.38 -0.92 -0.17 115.31 120.97 3itk h LEU 282 Ca 0.17 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3itk h LEU 282 Cb 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3itk h LEU 282 CO -0.00 0.55 0.04 -1.13 0.09 0.00 0.00 178.44 177.99 3itk h ASN 283 N 0.36 0.51 -0.63 -0.43 -1.24 -0.76 -0.92 115.58 112.46 3itk h ASN 283 Ca 0.07 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3itk h ASN 283 Cb 0.48 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 3itk h ASN 283 CO 0.03 0.65 0.41 0.25 -1.29 0.00 0.00 177.43 177.48 3itk h LEU 284 N 0.34 0.73 -0.52 0.34 5.85 -0.70 -1.16 115.31 120.18 3itk h LEU 284 Ca 0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3itk h LEU 284 Cb 0.37 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3itk h LEU 284 CO 0.01 0.53 0.32 0.58 -0.34 0.00 0.00 178.44 179.54 3itk h VAL 285 N 0.85 1.15 -0.52 1.05 2.07 -0.89 -1.54 116.25 118.41 3itk h VAL 285 Ca 0.23 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3itk h VAL 285 Cb -0.09 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3itk h VAL 285 CO -0.05 0.15 0.25 0.22 0.02 0.00 0.00 177.57 178.16 3itk h TYR 286 N 0.70 0.75 -0.60 1.57 3.20 -0.79 -2.22 116.97 119.57 3itk h TYR 286 Ca 0.19 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.09 3itk h TYR 286 Cb -0.04 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 37.94 3itk h TYR 286 CO -0.03 0.59 0.27 1.25 -1.64 0.00 0.00 178.16 178.60 3itk h LEU 287 N 0.69 0.35 -0.58 2.82 5.85 -0.95 -1.58 115.31 121.91 3itk h LEU 287 Ca 0.18 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.02 3itk h LEU 287 Cb 0.12 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3itk h LEU 287 CO -0.02 0.22 0.26 0.00 -0.34 0.00 0.00 178.44 178.56 3itk h GLU 289 N 0.49 1.01 -0.67 0.00 5.08 -1.08 0.31 114.58 119.70 3itk h GLU 289 Ca 0.28 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3itk h GLU 289 Cb 0.26 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3itk h GLU 289 CO -0.23 1.06 0.44 0.00 -1.00 0.00 0.00 179.01 179.28 3itk h ALA 290 N 0.91 1.72 -0.42 3.43 0.00 -0.81 -2.55 119.26 121.54 3itk h ALA 290 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3itk h ALA 290 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3itk h ALA 290 CO 0.05 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.76 3itk n LEU 291 N -4.47 3.50 -3.83 0.00 4.77 -0.41 -4.92 117.00 111.63 3itk n LEU 291 Ca 0.09 -1.77 -0.23 0.00 -0.03 0.00 0.00 56.01 54.07 3itk n LEU 291 Cb 0.21 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3itk n LEU 291 CO 0.34 0.55 -0.15 0.59 -1.33 0.00 0.00 177.39 177.40 3itk n ASN 292 N 0.60 -0.80 -3.08 -1.43 3.02 -0.96 -4.96 115.26 107.66 3itk n ASN 292 Ca 0.17 -0.91 -0.26 0.00 -0.03 0.00 0.00 54.58 53.55 3itk n ASN 292 Cb 0.69 -3.56 -0.05 0.00 -0.61 0.00 0.00 39.78 36.25 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 -4.34 3.95 0.23 3.41 4.77 -0.00 -4.95 117.00 120.08 3itk n LEU 293 Ca -0.30 -5.56 0.06 0.00 -0.03 0.00 0.00 56.01 50.19 3itk n LEU 293 Cb 0.68 -0.46 0.55 0.00 -2.33 0.00 0.00 43.42 41.85 3itk n LEU 293 CO 0.72 2.28 0.94 1.55 -1.33 0.00 0.00 177.39 181.55 3itk h PRO 294 N 3.28 0.00 -0.52 3.23 0.13 -1.91 -0.68 132.00 135.54 3itk h PRO 294 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 3itk h PRO 294 Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 3itk h PRO 294 CO 0.79 0.14 -0.12 0.93 -0.23 0.00 0.00 178.00 179.51 3itk h GLU 295 N 0.00 1.00 -0.19 0.86 3.07 -1.96 -0.33 114.58 117.03 3itk h GLU 295 Ca -0.00 -0.38 -0.18 0.00 -0.50 0.00 0.00 59.36 58.30 3itk h GLU 295 Cb 0.25 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3itk h GLU 295 CO 0.02 1.06 -0.61 0.28 -1.40 0.00 0.00 179.01 178.35 3itk h VAL 296 N 0.87 1.31 -0.14 3.13 2.07 -1.79 -1.80 116.25 119.89 3itk h VAL 296 Ca 0.13 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.83 3itk h VAL 296 Cb 0.69 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3itk h VAL 296 CO 0.05 0.58 -0.10 0.00 0.02 0.00 0.00 177.57 178.12 3itk h ALA 297 N 0.84 0.01 0.00 1.67 0.00 -0.93 -2.24 119.26 118.61 3itk h ALA 297 Ca -0.01 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3itk h ALA 297 Cb 1.19 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3itk h ALA 297 CO 0.12 -0.55 -0.45 0.07 0.00 0.00 0.00 179.25 178.44 3itk h ARG 298 N -0.11 0.00 -0.24 0.00 0.11 -1.00 -0.59 114.38 112.55 3itk h ARG 298 Ca 0.09 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.16 3itk h ARG 298 Cb 0.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 3itk h ARG 298 CO -0.21 0.45 0.10 -0.92 0.10 0.00 0.00 179.97 179.50 3itk h TYR 299 N 0.00 0.36 -0.00 4.08 3.20 -0.90 -2.96 116.97 120.75 3itk h TYR 299 Ca -0.00 -0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.64 3itk h TYR 299 Cb 1.04 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3itk h TYR 299 CO 0.00 0.37 -0.89 -1.49 -1.64 0.00 0.00 178.16 174.51 3itk h TRP 300 N 0.24 0.41 -0.80 -3.82 4.06 -1.12 -3.16 115.95 111.76 3itk h TRP 300 Ca 0.08 -0.22 0.18 0.00 2.06 0.00 0.00 58.89 60.99 3itk h TRP 300 Cb 0.16 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.22 3itk h TRP 300 CO -0.01 1.03 0.54 0.37 -3.56 0.00 0.00 178.44 176.81 3itk h GLN 301 N 0.15 0.34 -0.83 0.49 5.75 -0.96 -0.03 115.11 120.03 3itk h GLN 301 Ca -0.05 -0.02 0.24 0.00 -0.15 0.00 0.00 58.65 58.66 3itk h GLN 301 Cb 1.51 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.95 3itk h GLN 301 CO 0.14 0.22 0.59 1.96 -2.65 0.00 0.00 178.83 179.10 3itk h GLN 302 N 0.35 0.02 -0.59 1.69 1.08 -1.48 -0.39 115.11 115.79 3itk h GLN 302 Ca 0.40 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.52 3itk h GLN 302 Cb 1.05 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 3itk h GLN 302 CO -0.12 0.01 0.06 0.28 -0.95 0.00 0.00 178.83 178.11 3itk h VAL 303 N 0.02 1.26 0.21 -0.54 2.07 -1.19 -1.28 116.25 116.81 3itk h VAL 303 Ca 0.40 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3itk h VAL 303 Cb 1.55 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3itk h VAL 303 CO -0.01 0.38 -0.10 0.40 0.02 0.00 0.00 177.57 178.26 3itk h ILE 304 N 0.89 0.80 -1.01 4.57 1.08 -1.41 -2.75 117.51 119.68 3itk h ILE 304 Ca 0.17 -0.93 0.20 0.00 -0.39 0.00 0.00 64.86 63.91 3itk h ILE 304 Cb 0.47 1.27 -0.11 0.00 -3.07 0.00 0.00 36.82 35.38 3itk h ILE 304 CO 0.02 0.18 0.61 0.44 -0.69 0.00 0.00 178.15 178.71 3itk h ASP 305 N -0.82 0.77 -0.26 1.72 3.32 -1.07 -0.42 116.42 119.67 3itk h ASP 305 Ca -0.03 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3itk h ASP 305 Cb 0.51 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3itk h ASP 305 CO 0.05 0.25 -0.00 -0.03 -1.72 0.00 0.00 179.24 177.78 3itk h MET 306 N 0.74 0.46 -0.72 3.56 4.05 -1.27 -0.53 114.93 121.22 3itk h MET 306 Ca 0.59 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.88 3itk h MET 306 Cb 0.96 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.67 3itk h MET 306 CO -0.40 0.63 0.46 -0.97 0.23 0.00 0.00 176.91 176.87 3itk h ASN 307 N 0.24 0.78 -0.34 1.39 -1.24 -0.83 0.41 115.58 116.00 3itk h ASN 307 Ca 0.07 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 3itk h ASN 307 Cb 0.42 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 3itk h ASN 307 CO 0.01 0.55 0.20 0.44 -1.29 0.00 0.00 177.43 177.34 3itk h ASP 308 N 0.92 0.41 -0.71 1.15 3.32 -0.97 -2.39 116.42 118.16 3itk h ASP 308 Ca 0.28 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.30 3itk h ASP 308 Cb -0.03 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 3itk h ASP 308 CO -0.09 0.36 0.44 0.22 -1.72 0.00 0.00 179.24 178.45 3itk h TYR 309 N 0.43 0.82 -0.93 4.55 3.20 -0.71 -0.60 116.97 123.75 3itk h TYR 309 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3itk h TYR 309 Cb 0.03 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 3itk h TYR 309 CO -0.04 0.46 0.59 0.37 -1.64 0.00 0.00 178.16 177.90 3itk h GLN 310 N 0.86 1.24 0.14 1.82 5.75 -0.77 0.08 115.11 124.23 3itk h GLN 310 Ca 0.29 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 3itk h GLN 310 Cb 0.04 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.33 3itk h GLN 310 CO -0.12 0.85 -0.07 0.00 -2.65 0.00 0.00 178.83 176.84 3itk h ARG 311 N 1.27 -0.19 -0.49 1.69 3.08 -1.07 -2.85 114.38 115.82 3itk h ARG 311 Ca 0.34 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 3itk h ARG 311 Cb -0.10 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3itk h ARG 311 CO -0.07 0.11 0.14 -0.09 -1.07 0.00 0.00 179.97 179.00 3itk h ARG 312 N -0.49 0.72 0.00 0.04 2.43 -0.85 -1.82 114.38 114.41 3itk h ARG 312 Ca -0.02 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 3itk h ARG 312 Cb 0.39 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3itk h ARG 312 CO 0.03 0.64 -0.56 0.07 -1.51 0.00 0.00 179.97 178.64 3itk h ARG 313 N 0.71 0.00 -0.24 0.20 0.11 -1.02 -1.73 114.38 112.41 3itk h ARG 313 Ca 0.16 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.19 3itk h ARG 313 Cb 0.22 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 3itk h ARG 313 CO -0.01 0.56 -0.05 0.35 0.10 0.00 0.00 179.97 180.93 3itk h PHE 314 N 0.00 0.51 -0.70 4.08 3.57 -1.13 -1.75 116.94 121.51 3itk h PHE 314 Ca -0.01 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 3itk h PHE 314 Cb 1.28 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3itk h PHE 314 CO 0.00 0.67 0.28 0.00 -2.23 0.00 0.00 178.31 177.03 3itk h ALA 315 N 0.76 1.17 -0.15 2.41 0.00 -1.29 -2.34 119.26 119.83 3itk h ALA 315 Ca 0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3itk h ALA 315 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3itk h ALA 315 CO 0.02 0.60 -0.31 0.77 0.00 0.00 0.00 179.25 180.33 3itk h SER 316 N 1.02 0.30 -0.55 0.00 0.02 -1.22 -0.81 113.55 112.31 3itk h SER 316 Ca 0.24 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3itk h SER 316 Cb 0.19 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3itk h SER 316 CO -0.02 0.60 0.20 0.03 -1.14 0.00 0.00 176.83 176.50 3itk h ARG 317 N 0.26 0.84 -0.01 3.45 3.08 -1.01 0.55 114.38 121.54 3itk h ARG 317 Ca 0.03 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3itk h ARG 317 Cb 0.69 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3itk h ARG 317 CO 0.05 0.75 0.01 0.82 -1.07 0.00 0.00 179.97 180.53 3itk h ILE 318 N 0.76 1.08 -0.16 2.04 2.04 -0.91 -1.93 117.51 120.43 3itk h ILE 318 Ca 0.18 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3itk h ILE 318 Cb 0.24 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3itk h ILE 318 CO -0.01 0.06 -0.10 0.40 0.00 0.00 0.00 178.15 178.50 3itk h ILE 319 N -0.08 1.32 -0.84 -0.67 2.04 -1.01 -1.91 117.51 116.37 3itk h ILE 319 Ca 0.00 -1.18 0.13 0.00 1.00 0.00 0.00 64.86 64.81 3itk h ILE 319 Cb 0.09 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3itk h ILE 319 CO -0.00 0.35 0.55 0.44 0.00 0.00 0.00 178.15 179.49 3itk h ASP 320 N 0.00 0.62 0.81 1.72 3.32 -0.92 -0.74 116.42 121.23 3itk h ASP 320 Ca 0.03 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3itk h ASP 320 Cb 0.59 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3itk h ASP 320 CO 0.03 0.33 -0.36 0.28 -1.72 0.00 0.00 179.24 177.80 3itk h SER 321 N 0.67 0.00 -0.64 6.45 0.02 -0.59 -2.25 113.55 117.20 3itk h SER 321 Ca 0.41 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.07 3itk h SER 321 Cb 0.65 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.02 3itk h SER 321 CO -0.17 0.36 0.36 0.18 -1.14 0.00 0.00 176.83 176.43 3itk n LEU 322 N -3.55 5.37 -1.25 5.07 4.77 -0.79 -4.91 117.00 121.70 3itk n LEU 322 Ca -0.00 -2.82 -0.13 0.00 -0.03 0.00 0.00 56.01 53.02 3itk n LEU 322 Cb 0.50 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3itk n LEU 322 CO 0.37 0.81 -0.15 0.49 -1.33 0.00 0.00 177.39 177.58 3itk n PHE 323 N -0.42 -0.30 -1.33 -1.77 0.99 -0.85 -2.68 117.46 111.11 3itk n PHE 323 Ca 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.71 3itk n PHE 323 Cb 1.24 -2.63 -0.05 0.00 -1.00 0.00 0.00 39.48 37.04 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 -0.33 -5.04 -3.71 4.37 5.15 -0.35 -4.97 115.26 110.38 3itk n ASN 324 Ca -0.14 0.28 -0.20 0.00 -0.60 0.00 0.00 54.58 53.92 3itk n ASN 324 Cb 0.52 -3.54 -0.18 0.00 -0.53 0.00 0.00 39.78 36.06 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 -2.20 0.01 -0.03 -0.44 -1.32 -1.09 -4.99 115.64 105.57 3itk s THR 325 Ca 0.00 0.33 0.04 0.00 -1.21 0.00 0.00 61.69 60.85 3itk s THR 325 Cb 0.00 -0.22 0.06 0.00 -1.51 0.00 0.00 72.50 70.83 3itk s THR 325 CO 0.00 0.18 0.99 0.52 -2.21 0.00 0.00 174.62 174.11 3itk n VAL 326 N 5.09 1.09 -1.77 5.08 0.31 -1.26 -4.88 118.33 121.98 3itk n VAL 326 Ca -0.08 -1.17 -0.42 0.00 -0.01 0.00 0.00 64.34 62.66 3itk n VAL 326 Cb 0.50 0.38 -0.03 0.00 -0.91 0.00 0.00 33.84 33.78 3itk n VAL 326 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3itk s THR 327 N -1.31 2.67 -0.76 2.52 2.01 -1.12 -1.67 115.64 117.99 3itk s THR 327 Ca 0.07 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.23 3itk s THR 327 Cb 0.06 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3itk s THR 327 CO 0.01 -0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.41 3itk n ASP 328 N 5.67 -5.40 -4.75 3.53 8.00 -0.67 -4.94 116.55 118.00 3itk n ASP 328 Ca 0.17 0.18 -0.40 0.00 0.71 0.00 0.00 54.79 55.45 3itk n ASP 328 Cb 0.39 -3.75 -0.05 0.00 -0.02 0.00 0.00 41.12 37.68 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 -2.51 4.72 -0.06 -1.24 1.02 -0.67 -4.73 119.74 116.27 3itk s LYS 329 Ca 0.00 1.38 -0.24 0.00 0.02 0.00 0.00 55.97 57.13 3itk s LYS 329 Cb 0.00 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3itk s LYS 329 CO 0.00 0.40 0.73 0.21 -0.92 0.00 0.00 175.35 175.76 3itk s LYS 330 N -0.64 4.44 -0.03 1.68 2.20 -1.26 0.21 119.74 126.34 3itk s LYS 330 Ca 0.42 0.93 0.02 0.00 -0.36 0.00 0.00 55.97 56.98 3itk s LYS 330 Cb -0.24 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3itk s LYS 330 CO 0.29 0.04 -0.08 0.42 -0.36 0.00 0.00 175.35 175.67 3itk s ILE 331 N 0.87 0.70 -0.14 5.43 1.01 -0.10 -1.34 121.20 127.63 3itk s ILE 331 Ca 0.39 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 3itk s ILE 331 Cb -0.18 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3itk s ILE 331 CO 0.19 0.23 0.55 0.00 0.00 0.00 0.00 174.94 175.91 3itk s ALA 332 N 0.39 3.47 -0.37 9.38 0.00 -0.25 -1.55 121.76 132.84 3itk s ALA 332 Ca -0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 3itk s ALA 332 Cb -0.10 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.26 3itk s ALA 332 CO 0.01 -0.19 0.19 0.42 0.00 0.00 0.00 175.76 176.18 3itk s ILE 333 N 1.06 4.47 -0.43 0.00 -1.09 0.87 -0.41 121.20 125.67 3itk s ILE 333 Ca 0.28 -0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 57.67 3itk s ILE 333 Cb -0.16 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3itk s ILE 333 CO 0.12 -0.22 0.33 -0.76 -1.23 0.00 0.00 174.94 173.18 3itk s LEU 334 N 1.54 5.23 0.00 2.97 1.43 -0.41 -0.76 118.68 128.66 3itk s LEU 334 Ca 0.02 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 3itk s LEU 334 Cb -0.19 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3itk s LEU 334 CO 0.06 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3itk n GLY 335 N 5.17 1.52 0.02 -3.19 0.00 0.11 -1.43 105.19 107.39 3itk n GLY 335 Ca -0.11 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 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 2.70 0.00 -1.27 1.61 7.35 -1.26 -4.19 117.46 122.39 3itk n PHE 336 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 3itk n PHE 336 Cb 0.00 -0.21 0.09 0.00 0.35 0.00 0.00 39.48 39.71 3itk n PHE 336 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3itk n ALA 337 N -2.21 -0.64 0.21 3.13 0.00 -1.26 -4.53 120.51 115.21 3itk n ALA 337 Ca -0.07 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.19 3itk n ALA 337 Cb 0.63 -2.05 0.45 0.00 0.00 0.00 0.00 19.45 18.48 3itk n ALA 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3itk h PHE 338 N -0.43 0.00 -4.04 0.00 -5.15 -1.63 -3.44 116.94 102.25 3itk h PHE 338 Ca -0.47 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.11 3itk h PHE 338 Cb 1.33 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 37.41 3itk h PHE 338 CO 0.39 0.30 -0.23 -1.59 -2.00 0.00 0.00 178.31 175.18 3itk s LYS 339 N -3.99 1.68 0.88 6.09 -2.85 -1.26 -4.65 119.74 115.63 3itk s LYS 339 Ca -0.02 -1.57 -0.12 0.00 -1.00 0.00 0.00 55.97 53.27 3itk s LYS 339 Cb 0.13 0.43 0.12 0.00 -2.06 0.00 0.00 37.83 36.44 3itk s LYS 339 CO 0.67 -0.68 1.10 -1.59 0.10 0.00 0.00 175.35 174.95 3itk s LYS 340 N -3.56 1.42 -1.49 1.78 -2.85 -1.26 -4.18 119.74 109.60 3itk s LYS 340 Ca 0.29 0.66 -0.07 0.00 -1.00 0.00 0.00 55.97 55.85 3itk s LYS 340 Cb 0.01 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.96 3itk s LYS 340 CO 0.15 -2.09 0.74 -0.25 0.10 0.00 0.00 175.35 174.00 3itk n ASP 341 N -3.76 -5.79 -3.67 0.03 8.00 -1.26 -4.97 116.55 105.12 3itk n ASP 341 Ca 0.07 -0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.08 3itk n ASP 341 Cb 0.56 -4.66 -0.03 0.00 -0.02 0.00 0.00 41.12 36.97 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 -3.19 0.02 -2.46 -3.53 -1.32 -1.26 -5.00 115.64 98.91 3itk s THR 342 Ca 0.40 -0.62 0.22 0.00 -1.21 0.00 0.00 61.69 60.49 3itk s THR 342 Cb -0.18 -1.47 0.10 0.00 -1.51 0.00 0.00 72.50 69.43 3itk s THR 342 CO 0.50 -0.09 1.15 0.61 -2.21 0.00 0.00 174.62 174.57 3itk n GLY 343 N -0.35 0.50 3.70 6.08 0.00 -1.26 -4.71 105.19 109.15 3itk n GLY 343 Ca -0.11 -0.64 -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 -2.13 6.69 0.00 1.61 -1.08 -1.26 -4.72 116.67 115.79 3itk s ASP 344 Ca 0.23 2.39 0.14 0.00 -0.52 0.00 0.00 52.55 54.78 3itk s ASP 344 Cb 0.18 -2.57 0.15 0.00 -1.46 0.00 0.00 42.92 39.22 3itk s ASP 344 CO 0.40 -0.80 0.99 0.35 0.52 0.00 0.00 175.17 176.63 3itk n THR 345 N 4.49 0.15 -1.68 1.71 -2.24 -1.26 -1.92 114.28 113.53 3itk n THR 345 Ca 0.14 -0.57 -0.45 0.00 -2.27 0.00 0.00 64.05 60.90 3itk n THR 345 Cb 0.41 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.78 3itk n THR 345 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itk n ARG 346 N 0.77 2.44 -2.52 -0.78 1.74 -1.26 -0.89 116.66 116.16 3itk n ARG 346 Ca 0.09 0.89 -0.12 0.00 -0.77 0.00 0.00 57.85 57.93 3itk n ARG 346 Cb 0.36 -2.72 -0.00 0.00 -1.02 0.00 0.00 32.46 29.08 3itk n ARG 346 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3itk n GLU 347 N 4.94 -2.40 -2.02 5.56 -0.58 -1.26 -0.65 120.64 124.22 3itk n GLU 347 Ca 0.18 0.55 -0.41 0.00 -0.42 0.00 0.00 57.16 57.07 3itk n GLU 347 Cb 0.32 -5.16 -0.02 0.00 -0.57 0.00 0.00 31.44 26.01 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 6.67 0.63 1.62 0.15 -0.06 -3.87 113.70 116.74 3itk s SER 348 Ca 0.03 2.67 0.37 0.00 0.70 0.00 0.00 55.95 59.73 3itk s SER 348 Cb -0.02 -2.63 2.12 0.00 -1.71 0.00 0.00 66.02 63.79 3itk s SER 348 CO 0.04 -0.68 2.31 0.28 1.20 0.00 0.00 173.24 176.38 3itk h SER 349 N 4.84 0.00 -0.68 5.45 0.02 -1.84 -1.23 113.55 120.10 3itk h SER 349 Ca -0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3itk h SER 349 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 3itk h SER 349 CO 0.76 0.00 0.40 0.28 -1.14 0.00 0.00 176.83 177.13 3itk h SER 350 N 0.00 0.84 -0.75 3.07 0.02 -1.83 -0.88 113.55 114.01 3itk h SER 350 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3itk h SER 350 Cb 0.03 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 3itk h SER 350 CO -0.00 0.66 0.44 0.40 -1.14 0.00 0.00 176.83 177.19 3itk h ILE 351 N 0.96 1.22 -0.03 3.27 2.04 -1.48 -1.18 117.51 122.31 3itk h ILE 351 Ca 0.25 -0.51 -0.22 0.00 1.00 0.00 0.00 64.86 65.38 3itk h ILE 351 Cb -0.01 0.19 0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3itk h ILE 351 CO -0.04 0.23 -0.84 1.88 0.00 0.00 0.00 178.15 179.38 3itk h TYR 352 N 1.04 0.90 -0.45 1.37 -1.99 -1.34 -1.10 116.97 115.40 3itk h TYR 352 Ca 0.27 -0.47 -0.07 0.00 2.00 0.00 0.00 58.73 60.46 3itk h TYR 352 Cb -0.01 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 3itk h TYR 352 CO -0.01 1.30 -0.02 0.82 -0.00 0.00 0.00 178.16 180.26 3itk h ILE 353 N 0.25 1.24 -0.49 -2.88 1.08 -1.21 -1.78 117.51 113.72 3itk h ILE 353 Ca -0.10 -0.99 -0.11 0.00 -0.39 0.00 0.00 64.86 63.27 3itk h ILE 353 Cb 1.51 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 3itk h ILE 353 CO 0.17 0.35 -0.12 0.28 -0.69 0.00 0.00 178.15 178.13 3itk h SER 354 N 0.69 0.96 -0.10 1.72 0.02 -1.14 -2.32 113.55 113.38 3itk h SER 354 Ca 0.13 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3itk h SER 354 Cb 0.45 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3itk h SER 354 CO 0.02 1.10 -0.06 0.11 -1.14 0.00 0.00 176.83 176.86 3itk h LYS 355 N 0.80 0.37 -0.30 3.45 1.57 -0.87 0.99 116.57 122.59 3itk h LYS 355 Ca 0.12 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 3itk h LYS 355 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3itk h LYS 355 CO 0.05 0.44 -0.42 1.88 -0.57 0.00 0.00 179.45 180.83 3itk h TYR 356 N 0.35 0.89 0.06 -1.35 -1.99 -1.07 -1.94 116.97 111.91 3itk h TYR 356 Ca 0.08 -0.27 -0.24 0.00 2.00 0.00 0.00 58.73 60.29 3itk h TYR 356 Cb 0.33 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.88 3itk h TYR 356 CO 0.01 1.03 -1.07 -0.07 -0.00 0.00 0.00 178.16 178.06 3itk h LEU 357 N 0.60 0.47 -0.79 3.88 3.38 -0.99 -2.95 115.31 118.91 3itk h LEU 357 Ca 0.04 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.66 3itk h LEU 357 Cb 0.98 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 3itk h LEU 357 CO 0.09 1.27 0.46 0.24 0.09 0.00 0.00 178.44 180.59 3itk h MET 358 N 0.15 0.79 0.00 1.13 2.86 -0.79 -0.85 114.93 118.23 3itk h MET 358 Ca -0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3itk h MET 358 Cb 1.74 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.22 3itk h MET 358 CO 0.18 0.52 0.00 -3.47 1.06 0.00 0.00 176.91 175.20 3itk n ASP 359 N -4.72 0.52 -0.51 1.22 2.03 -0.73 -0.86 116.55 113.50 3itk n ASP 359 Ca 0.12 0.69 0.12 0.00 0.52 0.00 0.00 54.79 56.24 3itk n ASP 359 Cb 0.22 -0.78 0.17 0.00 -0.72 0.00 0.00 41.12 40.01 3itk n ASP 359 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3itk n GLU 360 N -2.14 1.35 -0.81 -0.67 -0.58 -0.40 -4.98 120.64 112.40 3itk n GLU 360 Ca 0.00 -1.02 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3itk n GLU 360 Cb 0.11 -1.48 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 0.53 3.72 0.62 0.00 -0.04 -2.78 105.19 108.61 3itk n GLY 361 Ca 0.12 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3itk n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk s ALA 362 N -2.00 2.13 -0.46 4.61 0.00 -0.72 -1.67 121.76 123.65 3itk s ALA 362 Ca 0.00 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 3itk s ALA 362 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.73 3itk s ALA 362 CO 0.00 -1.87 0.35 -1.01 0.00 0.00 0.00 175.76 173.24 3itk s HIS 363 N -1.94 3.30 -0.18 0.00 3.76 0.13 -4.72 115.29 115.64 3itk s HIS 363 Ca 0.75 -1.28 -0.13 0.00 -0.15 0.00 0.00 55.06 54.25 3itk s HIS 363 Cb -0.30 -3.20 -0.05 0.00 1.11 0.00 0.00 32.58 30.14 3itk s HIS 363 CO 0.45 -0.86 0.27 -0.51 -0.85 0.00 0.00 174.74 173.23 3itk s LEU 364 N 1.53 4.21 -0.26 0.89 1.43 -0.08 -0.92 118.68 125.48 3itk s LEU 364 Ca 0.04 0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 3itk s LEU 364 Cb -0.25 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.67 3itk s LEU 364 CO 0.04 0.08 -0.01 -1.00 0.23 0.00 0.00 176.35 175.69 3itk s HIS 365 N 0.65 3.07 -0.14 0.29 3.76 -0.59 -0.40 115.29 121.93 3itk s HIS 365 Ca 0.14 -1.21 -0.02 0.00 -0.15 0.00 0.00 55.06 53.83 3itk s HIS 365 Cb -0.13 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 3itk s HIS 365 CO 0.04 -0.63 -0.09 0.42 -0.85 0.00 0.00 174.74 173.62 3itk s ILE 366 N 1.42 3.42 -0.06 0.60 1.01 0.06 -0.09 121.20 127.56 3itk s ILE 366 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3itk s ILE 366 Cb -0.16 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.85 3itk s ILE 366 CO -0.02 0.51 -0.11 -0.47 0.00 0.00 0.00 174.94 174.85 3itk s TYR 367 N 0.36 1.32 -0.12 3.97 5.04 0.06 0.09 117.35 128.07 3itk s TYR 367 Ca -0.08 -0.46 -0.08 0.00 -2.44 0.00 0.00 57.07 54.01 3itk s TYR 367 Cb -0.15 -0.98 0.04 0.00 0.35 0.00 0.00 41.96 41.21 3itk s TYR 367 CO 0.04 -0.25 0.29 0.34 -1.34 0.00 0.00 175.55 174.63 3itk s ASP 368 N 0.65 -0.32 0.05 4.32 -1.08 -1.26 0.08 116.67 119.11 3itk s ASP 368 Ca -0.13 0.60 0.21 0.00 -0.52 0.00 0.00 52.55 52.71 3itk s ASP 368 Cb -0.15 0.53 0.86 0.00 -1.46 0.00 0.00 42.92 42.70 3itk s ASP 368 CO 0.03 -0.14 1.65 -0.81 0.52 0.00 0.00 175.17 176.42 3itk n PRO 369 N 3.74 0.04 0.00 4.34 -0.04 -1.26 -4.10 135.00 137.72 3itk n PRO 369 Ca -0.20 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3itk n PRO 369 Cb 0.55 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.64 2.50 -2.51 0.54 3.00 -1.26 -5.04 118.16 113.74 3itk n LYS 370 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 3itk n LYS 370 Cb 0.24 -0.84 -0.03 0.00 0.00 0.00 0.00 35.03 34.41 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 -1.58 4.35 0.61 3.15 1.01 -1.26 -4.75 120.40 121.93 3itk s VAL 371 Ca 0.00 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 3itk s VAL 371 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3itk s VAL 371 CO 0.00 0.02 1.30 -2.65 0.00 0.00 0.00 175.10 173.77 3itk n PRO 372 N 5.00 1.31 0.05 2.72 -0.02 -1.26 -4.87 135.00 137.93 3itk n PRO 372 Ca 0.10 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 62.11 3itk n PRO 372 Cb 0.47 -2.53 0.39 0.00 -0.02 0.00 0.00 33.50 31.81 3itk n PRO 372 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3itk h ARG 373 N 0.84 0.42 -0.16 -0.52 0.11 -1.96 -2.84 114.38 110.27 3itk h ARG 373 Ca -0.51 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 59.41 3itk h ARG 373 Cb 1.33 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3itk h ARG 373 CO 0.54 0.40 -0.36 0.93 0.10 0.00 0.00 179.97 181.59 3itk h GLU 374 N 0.42 0.33 -0.13 0.08 3.07 -2.00 -2.57 114.58 113.78 3itk h GLU 374 Ca 0.10 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 3itk h GLU 374 Cb 0.18 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3itk h GLU 374 CO -0.00 0.65 -0.52 0.37 -1.40 0.00 0.00 179.01 178.11 3itk h GLN 375 N 0.28 0.37 -0.41 2.33 5.75 -1.88 -1.80 115.11 119.75 3itk h GLN 375 Ca 0.03 -0.22 -0.11 0.00 -0.15 0.00 0.00 58.65 58.20 3itk h GLN 375 Cb 0.77 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 3itk h GLN 375 CO 0.06 0.80 -0.16 0.82 -2.65 0.00 0.00 178.83 177.70 3itk h ILE 376 N 0.29 1.28 -0.32 2.39 2.04 -1.43 -0.07 117.51 121.68 3itk h ILE 376 Ca 0.01 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 3itk h ILE 376 Cb 1.02 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3itk h ILE 376 CO 0.09 0.43 0.13 0.58 0.00 0.00 0.00 178.15 179.38 3itk h VAL 377 N 0.66 1.19 -0.62 1.67 2.07 -1.36 -1.83 116.25 118.02 3itk h VAL 377 Ca 0.10 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.08 3itk h VAL 377 Cb 0.71 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3itk h VAL 377 CO 0.05 0.20 0.37 0.58 0.02 0.00 0.00 177.57 178.79 3itk h VAL 378 N 0.38 1.04 0.00 2.57 2.07 -1.19 -2.08 116.25 119.04 3itk h VAL 378 Ca 0.11 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3itk h VAL 378 Cb 0.19 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3itk h VAL 378 CO -0.01 0.13 -0.30 0.44 0.02 0.00 0.00 177.57 177.85 3itk h ASP 379 N 0.71 0.00 0.01 0.57 3.32 -0.55 -2.81 116.42 117.67 3itk h ASP 379 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3itk h ASP 379 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3itk h ASP 379 CO -0.13 0.30 -0.41 0.18 -1.72 0.00 0.00 179.24 177.46 3itk n LEU 380 N -4.01 2.00 -4.88 1.55 4.77 -0.73 -4.96 117.00 110.74 3itk n LEU 380 Ca -0.02 -0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 54.94 3itk n LEU 380 Cb 0.36 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3itk n LEU 380 CO 0.37 0.37 0.37 -0.44 -1.33 0.00 0.00 177.39 176.72 3itk s SER 381 N -2.44 6.52 -0.13 -1.43 0.01 -0.80 -4.81 113.70 110.63 3itk s SER 381 Ca 0.20 1.02 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 3itk s SER 381 Cb 0.18 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3itk s SER 381 CO 0.54 -0.32 1.35 -1.00 0.41 0.00 0.00 173.24 174.22 3itk s HIS 382 N -2.24 2.69 0.20 2.43 3.76 -1.26 -4.94 115.29 115.93 3itk s HIS 382 Ca 0.49 0.84 -0.30 0.00 -0.15 0.00 0.00 55.06 55.95 3itk s HIS 382 Cb -0.10 -3.59 -0.09 0.00 1.11 0.00 0.00 32.58 29.91 3itk s HIS 382 CO 0.29 -2.15 1.33 -1.25 -0.85 0.00 0.00 174.74 172.11 3itk s PRO 383 N 3.46 4.37 0.00 8.40 0.04 -1.26 -0.99 135.00 149.02 3itk s PRO 383 Ca 0.59 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3itk s PRO 383 Cb -0.25 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3itk s PRO 383 CO 0.19 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.35 3itk n GLY 384 N 2.45 0.73 3.06 0.56 0.00 -1.26 -5.06 105.19 105.67 3itk n GLY 384 Ca 0.07 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3itk n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itk s VAL 385 N -2.00 2.19 0.14 1.61 1.01 -0.17 -5.00 120.40 118.18 3itk s VAL 385 Ca 0.00 -1.80 0.17 0.00 0.00 0.00 0.00 61.98 60.35 3itk s VAL 385 Cb 0.00 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 34.10 3itk s VAL 385 CO 0.00 -0.17 1.66 0.77 0.00 0.00 0.00 175.10 177.37 3itk h SER 386 N 7.73 0.00 -3.05 3.32 4.64 -1.97 -3.39 113.55 120.83 3itk h SER 386 Ca -0.15 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.63 3itk h SER 386 Cb 1.04 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.72 3itk h SER 386 CO 0.47 0.45 -0.77 -1.83 -0.87 0.00 0.00 176.83 174.29 3itk s GLU 387 N -3.49 0.45 -0.05 4.77 1.03 -1.26 -5.11 118.70 115.03 3itk s GLU 387 Ca 0.00 -0.62 -0.25 0.00 0.03 0.00 0.00 54.97 54.13 3itk s GLU 387 Cb 0.11 -1.73 -0.03 0.00 -0.80 0.00 0.00 34.13 31.67 3itk s GLU 387 CO 0.71 -0.87 0.77 0.34 -1.33 0.00 0.00 175.26 174.88 3itk s ASP 388 N 1.90 7.08 0.25 0.83 3.68 -1.26 -4.98 116.67 124.17 3itk s ASP 388 Ca 0.06 1.31 -0.03 0.00 2.13 0.00 0.00 52.55 56.02 3itk s ASP 388 Cb -0.17 -2.45 0.29 0.00 -1.45 0.00 0.00 42.92 39.14 3itk s ASP 388 CO -0.23 -0.16 1.73 -0.78 0.13 0.00 0.00 175.17 175.86 3itk h ASP 389 N 6.79 0.79 -0.23 -0.34 1.82 -2.00 -2.84 116.42 120.41 3itk h ASP 389 Ca -0.41 -0.20 -0.05 0.00 -0.39 0.00 0.00 57.03 55.98 3itk h ASP 389 Cb 1.20 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.99 3itk h ASP 389 CO 0.76 0.87 -0.06 -0.61 -1.61 0.00 0.00 179.24 178.59 3itk h GLN 390 N 0.76 0.45 -0.65 0.28 4.15 -1.98 -1.01 115.11 117.11 3itk h GLN 390 Ca 0.14 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.40 3itk h GLN 390 Cb 0.49 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 3itk h GLN 390 CO 0.02 0.68 0.42 0.28 -1.93 0.00 0.00 178.83 178.31 3itk h VAL 391 N 0.18 1.15 0.00 2.39 2.07 -1.86 0.59 116.25 120.77 3itk h VAL 391 Ca 0.06 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 3itk h VAL 391 Cb 0.52 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3itk h VAL 391 CO 0.02 0.16 -0.73 0.77 0.02 0.00 0.00 177.57 177.81 3itk h SER 392 N 0.86 0.00 -0.10 0.57 4.64 -1.45 -0.97 113.55 117.09 3itk h SER 392 Ca 0.24 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 3itk h SER 392 Cb -0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3itk h SER 392 CO -0.06 0.73 -0.81 0.03 -0.87 0.00 0.00 176.83 175.84 3itk h ARG 393 N 0.00 0.76 0.00 4.77 -0.00 -1.00 -3.40 114.38 115.51 3itk h ARG 393 Ca -0.01 -0.64 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 3itk h ARG 393 Cb 1.52 0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.63 3itk h ARG 393 CO 0.09 1.25 -1.65 1.28 0.00 0.00 0.00 179.97 180.94 3itk n LEU 394 N -3.92 0.05 -4.29 3.04 4.77 0.18 -4.98 117.00 111.86 3itk n LEU 394 Ca -0.08 -0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 3itk n LEU 394 Cb 0.76 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.70 3itk n LEU 394 CO 0.53 0.01 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.41 3itk s VAL 395 N -3.04 2.56 -0.04 4.08 1.01 -0.37 -0.90 120.40 123.68 3itk s VAL 395 Ca -0.05 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3itk s VAL 395 Cb 0.10 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3itk s VAL 395 CO 0.65 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 175.20 3itk s THR 396 N 0.43 1.65 -0.26 3.92 2.01 0.47 -4.71 115.64 119.15 3itk s THR 396 Ca -0.13 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 3itk s THR 396 Cb -0.17 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3itk s THR 396 CO 0.06 0.47 0.14 -0.63 -0.69 0.00 0.00 174.62 173.97 3itk s ILE 397 N -0.09 4.95 0.08 1.82 1.01 -1.26 -0.76 121.20 126.95 3itk s ILE 397 Ca -0.02 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 3itk s ILE 397 Cb -0.12 -3.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 3itk s ILE 397 CO 0.02 0.29 0.52 -0.44 0.00 0.00 0.00 174.94 175.33 3itk s SER 398 N 1.64 6.90 0.00 3.58 0.01 0.11 -4.88 113.70 121.06 3itk s SER 398 Ca 0.07 1.10 0.26 0.00 1.31 0.00 0.00 55.95 58.69 3itk s SER 398 Cb -0.15 -2.30 0.68 0.00 0.21 0.00 0.00 66.02 64.45 3itk s SER 398 CO 0.08 0.22 1.53 0.29 0.41 0.00 0.00 173.24 175.77 3itk n LYS 399 N 1.37 0.04 -3.68 12.44 4.01 -1.26 -4.62 118.16 126.46 3itk n LYS 399 Ca -0.09 -0.02 -0.14 0.00 -0.51 0.00 0.00 58.31 57.55 3itk n LYS 399 Cb 0.52 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.46 3itk n LYS 399 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 3itk s ASP 400 N -2.98 -0.32 0.49 4.39 1.47 -1.26 -5.05 116.67 113.41 3itk s ASP 400 Ca 0.12 0.20 0.17 0.00 1.18 0.00 0.00 52.55 54.22 3itk s ASP 400 Cb 0.18 0.39 1.19 0.00 -0.34 0.00 0.00 42.92 44.34 3itk s ASP 400 CO 0.66 -0.54 2.06 1.55 0.68 0.00 0.00 175.17 179.58 3itk h PRO 401 N 3.43 0.16 -0.15 2.11 0.13 -1.96 -2.55 132.00 133.17 3itk h PRO 401 Ca -0.29 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 3itk h PRO 401 Cb 1.18 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3itk h PRO 401 CO 0.41 0.11 -0.49 1.88 -0.23 0.00 0.00 178.00 179.67 3itk h TYR 402 N 0.17 0.49 -0.13 1.56 0.05 -1.98 -2.26 116.97 114.86 3itk h TYR 402 Ca 0.14 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.78 3itk h TYR 402 Cb 0.35 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3itk h TYR 402 CO -0.00 0.81 0.03 1.49 -1.05 0.00 0.00 178.16 179.44 3itk h GLU 403 N 0.32 0.08 -0.60 4.88 4.22 -1.85 -1.54 114.58 120.08 3itk h GLU 403 Ca 0.02 -0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.52 3itk h GLU 403 Cb 0.98 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3itk h GLU 403 CO 0.08 0.05 0.40 0.00 -2.18 0.00 0.00 179.01 177.37 3itk h ALA 404 N 1.09 1.83 0.00 2.92 0.00 -1.33 -2.33 119.26 121.44 3itk h ALA 404 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3itk h ALA 404 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3itk h ALA 404 CO -0.08 0.06 -1.05 0.00 0.00 0.00 0.00 179.25 178.19 3itk s ASP 406 N -3.84 5.72 0.00 0.00 2.15 -0.59 -1.25 116.67 118.85 3itk s ASP 406 Ca 0.04 1.45 0.00 0.00 0.43 0.00 0.00 52.55 54.47 3itk s ASP 406 Cb 0.15 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3itk s ASP 406 CO 0.81 -1.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 3itk n GLY 407 N 5.54 0.47 3.85 2.66 0.00 0.04 -5.01 105.19 112.74 3itk n GLY 407 Ca 0.25 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 3.19 -0.05 4.61 0.00 -0.38 -4.50 121.76 122.63 3itk s ALA 408 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 51.96 52.16 3itk s ALA 408 Cb 0.00 -2.95 -0.15 0.00 0.00 0.00 0.00 23.12 20.03 3itk s ALA 408 CO 0.00 -0.03 0.99 0.45 0.00 0.00 0.00 175.76 177.17 3itk h HIS 409 N 1.36 0.00 -2.74 0.00 3.86 -1.49 -0.56 115.15 115.59 3itk h HIS 409 Ca -0.47 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.62 3itk h HIS 409 Cb 1.18 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.43 3itk h HIS 409 CO 0.62 0.80 -0.20 0.00 0.86 0.00 0.00 177.93 180.01 3itk s ALA 410 N -2.78 -1.04 -0.21 2.45 0.00 -1.26 -2.26 121.76 116.66 3itk s ALA 410 Ca -0.01 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 3itk s ALA 410 Cb 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3itk s ALA 410 CO 0.81 -0.23 -0.12 0.08 0.00 0.00 0.00 175.76 176.29 3itk s VAL 411 N -0.30 2.57 -0.33 0.00 1.01 0.06 -1.09 120.40 122.33 3itk s VAL 411 Ca -0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3itk s VAL 411 Cb -0.03 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.21 3itk s VAL 411 CO 0.02 0.39 0.07 -0.69 0.00 0.00 0.00 175.10 174.89 3itk s VAL 412 N 1.33 3.39 -0.42 2.92 1.01 0.46 -0.64 120.40 128.45 3itk s VAL 412 Ca 0.03 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 3itk s VAL 412 Cb -0.15 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3itk s VAL 412 CO -0.08 -0.20 0.64 -0.63 0.00 0.00 0.00 175.10 174.83 3itk s ILE 413 N 1.31 4.84 -0.40 2.22 1.01 -0.02 -1.29 121.20 128.87 3itk s ILE 413 Ca -0.02 0.18 0.12 0.00 0.00 0.00 0.00 60.65 60.93 3itk s ILE 413 Cb -0.20 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 37.94 3itk s ILE 413 CO 0.00 -0.54 0.44 0.00 0.00 0.00 0.00 174.94 174.84 3itk s THR 415 N -2.39 0.61 -0.11 0.00 2.01 -1.17 -4.66 115.64 109.94 3itk s THR 415 Ca 0.02 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3itk s THR 415 Cb 0.09 -0.52 0.11 0.00 0.01 0.00 0.00 72.50 72.19 3itk s THR 415 CO 0.51 0.18 1.57 -1.84 -0.69 0.00 0.00 174.62 174.35 3itk n GLU 416 N 2.92 1.29 -1.67 4.92 0.00 -1.26 -4.71 120.64 122.12 3itk n GLU 416 Ca -0.14 -0.63 -0.46 0.00 0.00 0.00 0.00 57.16 55.93 3itk n GLU 416 Cb 0.57 -1.25 -0.04 0.00 0.00 0.00 0.00 31.44 30.72 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 0.57 2.29 -0.08 -1.84 7.02 -1.26 -4.82 117.44 119.31 3itk n TRP 417 Ca 0.12 0.23 0.21 0.00 -1.02 0.00 0.00 57.50 57.03 3itk n TRP 417 Cb 0.64 -2.56 0.65 0.00 -2.42 0.00 0.00 31.31 27.61 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 6.40 0.11 0.24 -0.99 3.32 -2.00 -1.78 116.42 121.71 3itk h ASP 418 Ca -0.45 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3itk h ASP 418 Cb 1.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3itk h ASP 418 CO 0.90 0.05 -0.20 0.00 -1.72 0.00 0.00 179.24 178.27 3itk h MET 419 N 0.11 0.00 0.00 3.56 -0.00 -1.99 -2.98 114.93 113.64 3itk h MET 419 Ca 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 60.01 3itk h MET 419 Cb 1.11 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.71 3itk h MET 419 CO -0.04 0.20 -0.06 0.74 -0.00 0.00 0.00 176.91 177.75 3itk h PHE 420 N 0.00 0.00 0.00 -0.10 0.04 -1.69 -0.81 116.94 114.38 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 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 3itk h PHE 420 CO 0.00 0.06 0.00 0.36 -0.60 0.00 0.00 178.31 178.13 3itk n LYS 421 N -3.49 0.26 -0.04 1.51 2.85 -1.12 -3.36 118.16 114.78 3itk n LYS 421 Ca -0.02 0.23 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 3itk n LYS 421 Cb 0.18 -1.82 0.35 0.00 -0.65 0.00 0.00 35.03 33.10 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 -2.28 1.94 -1.39 -1.58 -0.58 -0.31 -4.99 120.64 111.44 3itk n GLU 422 Ca 0.05 -1.38 -0.33 0.00 -0.42 0.00 0.00 57.16 55.08 3itk n GLU 422 Cb 0.42 -1.46 0.09 0.00 -0.57 0.00 0.00 31.44 29.92 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 -1.86 3.24 -1.02 -4.62 1.43 -1.21 -4.90 118.68 109.74 3itk s LEU 423 Ca 0.34 2.19 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 3itk s LEU 423 Cb 0.20 -4.57 0.12 0.00 0.03 0.00 0.00 46.19 41.97 3itk s LEU 423 CO 0.31 -2.20 1.28 -0.62 0.23 0.00 0.00 176.35 175.35 3itk s ASP 424 N -2.40 6.69 0.30 2.29 -1.08 -1.26 -4.85 116.67 116.36 3itk s ASP 424 Ca 0.70 -2.12 0.09 0.00 -0.52 0.00 0.00 52.55 50.70 3itk s ASP 424 Cb -0.25 -2.44 0.46 0.00 -1.46 0.00 0.00 42.92 39.23 3itk s ASP 424 CO 0.47 -1.10 1.69 1.88 0.52 0.00 0.00 175.17 178.63 3itk h TYR 425 N 8.65 0.15 -0.26 -5.34 -1.99 -1.98 -1.80 116.97 114.40 3itk h TYR 425 Ca 0.21 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.91 3itk h TYR 425 Cb 0.99 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 3itk h TYR 425 CO 1.19 0.59 0.15 1.49 -0.00 0.00 0.00 178.16 181.58 3itk h GLU 426 N 0.10 0.30 -0.36 4.88 4.57 -1.99 0.34 114.58 122.42 3itk h GLU 426 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3itk h GLU 426 Cb 0.90 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 3itk h GLU 426 CO 0.07 0.20 0.20 -0.09 -1.18 0.00 0.00 179.01 178.20 3itk h ARG 427 N 0.30 0.40 -0.77 1.92 2.43 -1.92 -2.56 114.38 114.19 3itk h ARG 427 Ca 0.10 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3itk h ARG 427 Cb 0.00 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3itk h ARG 427 CO -0.05 0.26 0.50 0.82 -1.51 0.00 0.00 179.97 179.99 3itk h ILE 428 N 0.41 1.13 -0.79 1.20 2.04 -0.68 -2.83 117.51 117.99 3itk h ILE 428 Ca 0.15 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3itk h ILE 428 Cb 0.03 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 3itk h ILE 428 CO -0.08 0.18 0.46 -0.74 0.00 0.00 0.00 178.15 177.96 3itk h HIS 429 N 0.98 1.06 -1.01 1.37 2.76 -0.04 -2.81 115.15 117.46 3itk h HIS 429 Ca 0.30 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.53 3itk h HIS 429 Cb -0.01 -0.34 -0.07 0.00 1.55 0.00 0.00 27.41 28.53 3itk h HIS 429 CO -0.03 0.73 0.65 0.87 -1.30 0.00 0.00 177.93 178.85 3itk h LYS 430 N 1.09 1.14 -0.59 5.26 1.57 -1.20 -2.65 116.57 121.19 3itk h LYS 430 Ca 0.28 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3itk h LYS 430 Cb -0.00 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.05 3itk h LYS 430 CO -0.05 0.75 0.00 1.63 -0.57 0.00 0.00 179.45 181.21 3itk n LYS 431 N -4.51 2.61 -2.60 3.15 5.02 -1.10 -4.94 118.16 115.80 3itk n LYS 431 Ca 0.16 -2.47 -0.27 0.00 -2.02 0.00 0.00 58.31 53.70 3itk n LYS 431 Cb 0.19 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.23 3.39 0.48 1.97 -1.94 -1.00 -0.78 119.30 120.19 3itk s MET 432 Ca 0.45 0.12 -0.17 0.00 -1.71 0.00 0.00 55.69 54.38 3itk s MET 432 Cb 0.24 -2.36 -0.09 0.00 2.01 0.00 0.00 34.83 34.63 3itk s MET 432 CO 0.33 -0.31 0.95 -0.51 -0.01 0.00 0.00 175.02 175.47 3itk s LEU 433 N -4.79 3.75 -0.01 -0.03 1.43 -0.22 -4.91 118.68 113.90 3itk s LEU 433 Ca 0.49 1.57 0.07 0.00 -1.03 0.00 0.00 54.13 55.22 3itk s LEU 433 Cb -0.10 -4.47 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 3itk s LEU 433 CO 0.45 -0.50 -0.21 -0.54 0.23 0.00 0.00 176.35 175.78 3itk s LYS 434 N -3.75 2.20 0.25 1.70 -0.14 -1.26 -3.29 119.74 115.44 3itk s LYS 434 Ca 0.59 -0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 54.03 3itk s LYS 434 Cb -0.10 -2.17 -0.09 0.00 -1.68 0.00 0.00 37.83 33.79 3itk s LYS 434 CO 0.25 0.57 1.30 -1.25 -0.76 0.00 0.00 175.35 175.47 3itk s PRO 435 N -0.86 4.39 -0.28 -1.68 0.04 -1.26 -5.16 135.00 130.19 3itk s PRO 435 Ca 0.11 2.11 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 3itk s PRO 435 Cb -0.10 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 3itk s PRO 435 CO 0.01 -0.21 0.36 0.00 0.04 0.00 0.00 177.00 177.21 3itk s ALA 436 N -0.39 3.55 -0.07 8.56 0.00 -1.21 -4.86 121.76 127.35 3itk s ALA 436 Ca 0.53 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3itk s ALA 436 Cb -0.38 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3itk s ALA 436 CO 0.43 -0.71 -0.02 -0.06 0.00 0.00 0.00 175.76 175.40 3itk s PHE 437 N 2.06 3.08 -0.17 0.00 0.40 -0.96 -1.08 117.98 121.31 3itk s PHE 437 Ca 0.14 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 3itk s PHE 437 Cb -0.16 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.64 3itk s PHE 437 CO 0.10 0.43 -0.19 0.42 0.70 0.00 0.00 175.22 176.68 3itk s ILE 438 N -0.89 2.19 -0.40 0.64 1.01 -0.25 -0.76 121.20 122.74 3itk s ILE 438 Ca 0.14 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 3itk s ILE 438 Cb -0.11 -1.91 0.07 0.00 0.01 0.00 0.00 42.46 40.52 3itk s ILE 438 CO 0.03 0.53 0.22 -0.36 0.00 0.00 0.00 174.94 175.37 3itk s PHE 439 N 1.13 3.34 -0.59 3.97 0.08 0.19 -1.24 117.98 124.87 3itk s PHE 439 Ca 0.01 -1.56 -0.21 0.00 0.12 0.00 0.00 56.93 55.29 3itk s PHE 439 Cb -0.14 -2.82 0.07 0.00 -0.57 0.00 0.00 43.02 39.56 3itk s PHE 439 CO -0.08 -0.83 0.80 0.34 -0.10 0.00 0.00 175.22 175.35 3itk s ASP 440 N 1.93 6.21 0.00 1.36 2.15 0.06 -0.84 116.67 127.53 3itk s ASP 440 Ca 0.02 -1.02 0.17 0.00 0.43 0.00 0.00 52.55 52.15 3itk s ASP 440 Cb -0.22 -2.36 0.78 0.00 -0.30 0.00 0.00 42.92 40.83 3itk s ASP 440 CO 0.02 -1.19 1.53 0.61 -0.17 0.00 0.00 175.17 175.98 3itk n GLY 441 N 5.25 -0.38 0.00 2.66 0.00 0.25 -3.18 105.19 109.78 3itk n GLY 441 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.23 0.13 -1.93 1.61 5.12 -1.26 -1.06 116.66 119.04 3itk n ARG 442 Ca 0.13 -0.34 -0.19 0.00 -1.93 0.00 0.00 57.85 55.52 3itk n ARG 442 Cb 0.18 -0.58 -0.05 0.00 -1.16 0.00 0.00 32.46 30.85 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 -0.03 -1.42 0.10 5.56 5.12 -1.26 -4.90 116.66 119.83 3itk n ARG 443 Ca 0.00 1.06 0.13 0.00 -1.93 0.00 0.00 57.85 57.11 3itk n ARG 443 Cb 0.33 -5.49 0.34 0.00 -1.16 0.00 0.00 32.46 26.48 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 -0.49 1.55 3.04 -1.95 -3.13 116.25 115.27 3itk h VAL 444 Ca -0.42 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 3itk h VAL 444 Cb 1.29 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 3itk h VAL 444 CO 0.56 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.30 3itk n LEU 445 N -2.28 4.52 -4.71 3.16 4.77 -1.26 -4.74 117.00 116.46 3itk n LEU 445 Ca 0.05 -2.65 -0.42 0.00 -0.03 0.00 0.00 56.01 52.96 3itk n LEU 445 Cb 0.44 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3itk n LEU 445 CO 0.32 0.73 0.95 0.47 -1.33 0.00 0.00 177.39 178.53 3itk n ASP 446 N 0.50 2.93 0.00 -1.43 9.92 -1.18 -0.76 116.55 126.53 3itk n ASP 446 Ca 0.23 1.20 0.00 0.00 -0.53 0.00 0.00 54.79 55.70 3itk n ASP 446 Cb 0.90 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 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 0.90 2.95 0.12 0.44 0.00 -1.26 -4.78 105.19 103.56 3itk n GLY 447 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 0.40 -0.19 0.99 4.77 0.06 -4.57 117.00 118.47 3itk n LEU 448 Ca 0.00 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 3itk n LEU 448 Cb 0.00 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3itk n LEU 448 CO 0.00 0.07 0.97 0.45 -1.33 0.00 0.00 177.39 177.55 3itk h HIS 449 N 0.59 0.80 -0.34 -1.77 3.86 -1.87 0.56 115.15 116.99 3itk h HIS 449 Ca 0.00 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 3itk h HIS 449 Cb 0.21 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3itk h HIS 449 CO 0.00 0.65 -0.02 -0.91 0.86 0.00 0.00 177.93 178.51 3itk h ASN 450 N 0.71 0.60 -0.61 2.45 2.35 -1.95 0.24 115.58 119.37 3itk h ASN 450 Ca 0.18 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3itk h ASN 450 Cb 0.18 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3itk h ASN 450 CO -0.02 0.78 0.40 -0.08 -1.65 0.00 0.00 177.43 176.86 3itk h GLU 451 N 0.41 0.77 -0.37 0.81 4.57 -1.74 0.30 114.58 119.34 3itk h GLU 451 Ca 0.09 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 3itk h GLU 451 Cb 0.49 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3itk h GLU 451 CO 0.02 0.51 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.12 3itk h LEU 452 N 0.80 0.69 -0.55 1.64 3.38 -0.69 -0.81 115.31 119.76 3itk h LEU 452 Ca 0.23 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3itk h LEU 452 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3itk h LEU 452 CO -0.07 0.86 -0.05 1.56 0.09 0.00 0.00 178.44 180.83 3itk h GLN 453 N 0.62 1.01 -0.40 1.13 4.20 -0.36 -1.68 115.11 119.63 3itk h GLN 453 Ca 0.10 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3itk h GLN 453 Cb 0.63 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3itk h GLN 453 CO 0.04 1.03 0.25 1.15 -0.67 0.00 0.00 178.83 180.64 3itk h THR 454 N 0.89 1.12 -0.43 -0.54 2.02 -0.22 -1.76 112.91 113.99 3itk h THR 454 Ca 0.15 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3itk h THR 454 Cb 0.61 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3itk h THR 454 CO 0.04 0.12 0.30 0.40 0.37 0.00 0.00 175.52 176.74 3itk h ILE 455 N 0.53 0.90 0.00 3.11 2.04 -1.09 -3.46 117.51 119.53 3itk h ILE 455 Ca 0.14 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3itk h ILE 455 Cb -0.02 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3itk h ILE 455 CO -0.03 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.77 3itk n GLY 456 N -1.55 1.57 3.79 5.37 0.00 -0.66 -5.05 105.19 108.66 3itk n GLY 456 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 3.17 -0.40 1.61 0.40 -0.68 -4.66 117.98 115.42 3itk s PHE 457 Ca 0.00 1.62 -0.21 0.00 -0.60 0.00 0.00 56.93 57.74 3itk s PHE 457 Cb 0.00 -3.09 0.01 0.00 0.51 0.00 0.00 43.02 40.46 3itk s PHE 457 CO 0.00 -0.67 0.67 -0.65 0.70 0.00 0.00 175.22 175.27 3itk s GLN 458 N -2.81 3.50 -0.23 0.44 -0.21 -0.24 -4.17 119.66 115.94 3itk s GLN 458 Ca 0.62 -0.11 -0.06 0.00 0.02 0.00 0.00 55.36 55.83 3itk s GLN 458 Cb -0.19 -3.88 -0.02 0.00 1.00 0.00 0.00 33.01 29.92 3itk s GLN 458 CO 0.24 -0.91 0.02 -1.50 -2.12 0.00 0.00 175.29 171.02 3itk s ILE 459 N 2.87 3.95 0.06 1.08 1.10 -1.26 -1.09 121.20 127.91 3itk s ILE 459 Ca 0.25 -0.30 0.07 0.00 -0.51 0.00 0.00 60.65 60.16 3itk s ILE 459 Cb -0.14 -2.82 -0.03 0.00 0.15 0.00 0.00 42.46 39.62 3itk s ILE 459 CO 0.18 0.39 -0.19 -1.61 -2.11 0.00 0.00 174.94 171.59 3itk s GLU 460 N 1.42 1.21 0.26 3.50 2.02 -0.37 -4.98 118.70 121.76 3itk s GLU 460 Ca 0.05 -0.97 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 3itk s GLU 460 Cb -0.15 -1.34 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 3itk s GLU 460 CO 0.01 0.33 0.28 -0.08 0.02 0.00 0.00 175.26 175.82 3itk s THR 461 N -0.93 0.00 0.08 3.63 -1.32 -1.26 -0.76 115.64 115.08 3itk s THR 461 Ca 0.06 -1.81 -0.31 0.00 -1.21 0.00 0.00 61.69 58.42 3itk s THR 461 Cb -0.09 -2.46 -0.06 0.00 -1.51 0.00 0.00 72.50 68.37 3itk s THR 461 CO 0.02 0.00 1.27 -0.63 -2.21 0.00 0.00 174.62 173.08 3itk s ILE 462 N -3.83 3.77 -0.83 5.08 1.01 -1.19 -3.51 121.20 121.70 3itk s ILE 462 Ca 0.34 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3itk s ILE 462 Cb 0.03 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3itk s ILE 462 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3itk n GLY 463 N 3.33 0.44 2.92 6.18 0.00 -1.26 -4.82 105.19 111.99 3itk n GLY 463 Ca 0.10 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.75 0.96 0.45 1.61 2.20 -1.23 -1.76 119.74 118.23 3itk s LYS 464 Ca 0.00 -0.17 -0.24 0.00 -0.36 0.00 0.00 55.97 55.20 3itk s LYS 464 Cb 0.00 -0.91 -0.09 0.00 -1.51 0.00 0.00 37.83 35.32 3itk s LYS 464 CO 0.00 -0.05 1.20 1.17 -0.36 0.00 0.00 175.35 177.32 3itk n LYS 465 N 3.92 1.70 0.00 4.03 4.81 -1.25 -4.68 118.16 126.69 3itk n LYS 465 Ca -0.25 0.61 0.01 0.00 -0.87 0.00 0.00 58.31 57.82 3itk n LYS 465 Cb 0.51 -2.32 0.07 0.00 0.02 0.00 0.00 35.03 33.31 3itk n LYS 465 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85