#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kro s PHE 2 N 0.00 2.93 -0.85 1.12 5.36 -1.26 -5.07 117.98 120.21 3kro s PHE 2 Ca 0.00 -1.45 -0.21 0.00 -0.96 0.00 0.00 56.93 54.32 3kro s PHE 2 Cb 0.00 -2.01 0.10 0.00 -0.34 0.00 0.00 43.02 40.77 3kro s PHE 2 CO 0.00 -0.72 1.12 0.34 -1.46 0.00 0.00 175.22 174.51 3kro s ASP 3 N 1.35 6.45 0.13 6.13 3.68 -1.26 -4.89 116.67 128.25 3kro s ASP 3 Ca 0.03 -1.57 -0.14 0.00 2.13 0.00 0.00 52.55 53.00 3kro s ASP 3 Cb -0.15 -2.43 -0.01 0.00 -1.45 0.00 0.00 42.92 38.88 3kro s ASP 3 CO -0.08 -1.27 1.59 2.19 0.13 0.00 0.00 175.17 177.73 3kro h PHE 4 N 9.25 0.77 -0.89 -5.34 -5.15 -1.98 -2.48 116.94 111.11 3kro h PHE 4 Ca 0.00 -0.12 0.06 0.00 -0.20 0.00 0.00 57.97 57.71 3kro h PHE 4 Cb 1.04 -0.21 -0.06 0.00 0.22 0.00 0.00 35.95 36.94 3kro h PHE 4 CO 1.12 0.76 0.56 -0.44 -2.00 0.00 0.00 178.31 178.31 3kro h ASP 5 N 0.56 0.90 -0.41 -0.68 3.32 -2.00 -1.32 116.42 116.79 3kro h ASP 5 Ca 0.12 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3kro h ASP 5 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kro h ASP 5 CO 0.01 0.58 -0.05 1.23 -1.72 0.00 0.00 179.24 179.30 3kro h GLY 6 N 1.04 0.81 0.99 2.75 0.00 -1.95 -2.28 103.07 104.43 3kro h GLY 6 Ca 0.38 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3kro h GLY 6 CO -0.16 0.58 -0.09 -1.82 0.00 0.00 0.00 176.54 175.04 3kro h TYR 7 N 0.57 -0.24 -0.28 5.60 3.20 -0.96 -2.30 116.97 122.57 3kro h TYR 7 Ca 0.11 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3kro h TYR 7 Cb 0.55 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3kro h TYR 7 CO 0.04 -0.14 -0.12 0.52 -1.64 0.00 0.00 178.16 176.82 3kro h MET 8 N -0.28 0.47 0.14 1.82 2.86 -1.31 -0.12 114.93 118.52 3kro h MET 8 Ca -0.03 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3kro h MET 8 Cb 0.21 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3kro h MET 8 CO 0.04 0.59 -0.10 1.25 1.06 0.00 0.00 176.91 179.75 3kro h LEU 9 N 0.43 -0.26 -0.50 1.22 5.85 -1.11 0.23 115.31 121.17 3kro h LEU 9 Ca 0.08 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3kro h LEU 9 Cb 0.47 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3kro h LEU 9 CO 0.03 -0.17 -0.45 0.08 -0.34 0.00 0.00 178.44 177.59 3kro h ARG 10 N -0.25 0.00 -0.13 1.25 0.11 -1.13 -1.55 114.38 112.67 3kro h ARG 10 Ca -0.01 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 3kro h ARG 10 Cb 0.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 3kro h ARG 10 CO -0.00 0.45 -0.16 0.87 0.10 0.00 0.00 179.97 181.22 3kro h LYS 11 N 0.00 0.34 -0.84 0.08 1.79 -0.50 -1.40 116.57 116.05 3kro h LYS 11 Ca -0.00 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3kro h LYS 11 Cb 1.14 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 3kro h LYS 11 CO 0.06 0.76 0.51 0.00 -1.08 0.00 0.00 179.45 179.69 3kro h ALA 12 N 0.58 1.07 -0.18 3.86 0.00 -0.55 0.22 119.26 124.25 3kro h ALA 12 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kro h ALA 12 Cb 0.71 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kro h ALA 12 CO 0.04 0.53 0.08 0.87 0.00 0.00 0.00 179.25 180.76 3kro h LYS 13 N 1.15 0.17 -0.64 0.00 6.56 -1.24 0.34 116.57 122.91 3kro h LYS 13 Ca 0.30 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 3kro h LYS 13 Cb -0.05 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.54 3kro h LYS 13 CO -0.06 0.11 0.41 1.03 -2.06 0.00 0.00 179.45 178.89 3kro h SER 14 N 0.17 0.74 -0.24 0.86 0.87 -0.43 -1.09 113.55 114.44 3kro h SER 14 Ca 0.08 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3kro h SER 14 Cb 0.03 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3kro h SER 14 CO -0.07 0.55 0.06 0.58 -0.53 0.00 0.00 176.83 177.42 3kro h VAL 15 N 0.86 1.21 -0.68 2.23 2.07 -0.10 -2.30 116.25 119.55 3kro h VAL 15 Ca 0.23 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3kro h VAL 15 Cb -0.08 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3kro h VAL 15 CO -0.05 0.22 0.45 0.78 0.02 0.00 0.00 177.57 178.99 3kro h ASN 16 N 0.21 0.77 0.22 0.57 2.35 -0.14 -0.43 115.58 119.13 3kro h ASN 16 Ca 0.08 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3kro h ASN 16 Cb 0.27 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3kro h ASN 16 CO 0.00 0.55 -0.38 0.50 -1.65 0.00 0.00 177.43 176.45 3kro h LYS 17 N 0.91 0.23 0.00 0.81 3.64 -1.06 -2.49 116.57 118.61 3kro h LYS 17 Ca 0.25 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 3kro h LYS 17 Cb -0.08 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3kro h LYS 17 CO -0.06 0.58 -1.03 0.00 -2.27 0.00 0.00 179.45 176.67 3kro h ALA 18 N 1.41 0.52 -0.49 5.00 0.00 -0.71 -2.80 119.26 122.19 3kro h ALA 18 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 3kro h ALA 18 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kro h ALA 18 CO 0.06 1.13 0.01 -0.07 0.00 0.00 0.00 179.25 180.38 3kro h LEU 19 N 0.00 0.84 -0.55 0.00 3.38 -1.04 -0.19 115.31 117.76 3kro h LEU 19 Ca -0.07 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3kro h LEU 19 Cb 1.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 3kro h LEU 19 CO 0.10 0.94 0.15 -0.08 0.09 0.00 0.00 178.44 179.64 3kro h GLU 20 N 0.73 0.87 -0.10 1.13 4.22 -1.46 -2.28 114.58 117.70 3kro h GLU 20 Ca 0.14 -0.20 -0.13 0.00 0.08 0.00 0.00 59.36 59.25 3kro h GLU 20 Cb 0.50 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3kro h GLU 20 CO 0.02 0.80 -0.52 0.00 -2.18 0.00 0.00 179.01 177.14 3kro h ALA 21 N 1.03 0.94 -0.06 2.92 0.00 -1.31 -3.24 119.26 119.53 3kro h ALA 21 Ca 0.18 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3kro h ALA 21 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kro h ALA 21 CO -0.00 0.67 -0.62 0.00 0.00 0.00 0.00 179.25 179.30 3kro h ALA 22 N 1.25 0.84 -3.24 0.00 0.00 -0.68 -3.38 119.26 114.05 3kro h ALA 22 Ca 0.01 -0.55 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 3kro h ALA 22 Cb 0.98 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.29 3kro h ALA 22 CO 0.08 0.74 -0.55 0.08 0.00 0.00 0.00 179.25 179.61 3kro s VAL 23 N -3.72 2.93 0.54 0.00 1.01 -0.89 -5.10 120.40 115.17 3kro s VAL 23 Ca -0.04 -3.58 -0.05 0.00 0.00 0.00 0.00 61.98 58.32 3kro s VAL 23 Cb 0.12 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 3kro s VAL 23 CO 0.80 -0.88 0.83 -1.10 0.00 0.00 0.00 175.10 174.74 3kro s GLN 24 N -0.66 3.10 0.15 2.72 -1.52 -1.26 -4.84 119.66 117.36 3kro s GLN 24 Ca 0.20 -0.05 -0.30 0.00 -1.95 0.00 0.00 55.36 53.26 3kro s GLN 24 Cb -0.18 -2.35 -0.07 0.00 -0.22 0.00 0.00 33.01 30.19 3kro s GLN 24 CO -0.06 -0.50 1.02 -1.64 -0.25 0.00 0.00 175.29 173.87 3kro s MET 25 N -4.85 4.67 0.14 2.91 -1.94 -1.26 -4.94 119.30 114.03 3kro s MET 25 Ca 0.51 1.57 -0.25 0.00 -1.71 0.00 0.00 55.69 55.81 3kro s MET 25 Cb -0.10 -3.33 0.07 0.00 2.01 0.00 0.00 34.83 33.48 3kro s MET 25 CO 0.44 0.18 0.99 -1.59 -0.01 0.00 0.00 175.02 175.03 3kro s LYS 26 N -0.27 1.12 0.34 2.03 -2.85 -1.26 -5.12 119.74 113.73 3kro s LYS 26 Ca 0.47 -0.62 -0.28 0.00 -1.00 0.00 0.00 55.97 54.54 3kro s LYS 26 Cb -0.26 0.38 -0.10 0.00 -2.06 0.00 0.00 37.83 35.79 3kro s LYS 26 CO 0.32 -0.52 1.26 -1.21 0.10 0.00 0.00 175.35 175.31 3kro s GLU 27 N -3.21 4.34 -0.06 1.78 0.41 -1.26 -3.19 118.70 117.52 3kro s GLU 27 Ca 0.12 2.11 -0.30 0.00 -0.41 0.00 0.00 54.97 56.50 3kro s GLU 27 Cb -0.01 -3.02 -0.03 0.00 -1.78 0.00 0.00 34.13 29.28 3kro s GLU 27 CO 0.02 -0.16 1.24 -2.14 -0.49 0.00 0.00 175.26 173.72 3kro s PRO 28 N -1.83 4.33 0.17 0.39 0.02 -1.26 -5.02 135.00 131.80 3kro s PRO 28 Ca 0.50 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 63.09 3kro s PRO 28 Cb -0.38 -3.58 0.11 0.00 0.02 0.00 0.00 34.50 30.67 3kro s PRO 28 CO 0.49 -0.49 1.75 -0.07 -0.33 0.00 0.00 177.00 178.35 3kro h LEU 29 N 8.37 0.13 -1.35 -5.54 3.38 -1.99 -2.81 115.31 115.50 3kro h LEU 29 Ca -0.34 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3kro h LEU 29 Cb 1.16 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3kro h LEU 29 CO 0.89 0.11 0.14 0.50 0.09 0.00 0.00 178.44 180.17 3kro h LYS 30 N 0.29 0.58 -0.43 1.13 3.64 -1.98 0.19 116.57 119.99 3kro h LYS 30 Ca 0.19 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3kro h LYS 30 Cb 0.19 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3kro h LYS 30 CO -0.21 0.50 0.02 0.82 -2.27 0.00 0.00 179.45 178.31 3kro h ILE 31 N 0.58 1.26 0.02 2.00 1.08 -1.87 -0.19 117.51 120.38 3kro h ILE 31 Ca 0.14 -1.00 -0.21 0.00 -0.39 0.00 0.00 64.86 63.41 3kro h ILE 31 Cb 0.15 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 3kro h ILE 31 CO -0.01 0.34 -0.92 0.45 -0.69 0.00 0.00 178.15 177.32 3kro h HIS 32 N 0.60 0.28 -0.49 1.37 3.86 -1.20 -1.23 115.15 118.34 3kro h HIS 32 Ca 0.13 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 3kro h HIS 32 Cb 0.46 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3kro h HIS 32 CO 0.03 1.00 0.07 1.49 0.86 0.00 0.00 177.93 181.39 3kro h GLU 33 N 0.09 0.82 -0.64 2.45 4.81 -0.54 -1.36 114.58 120.21 3kro h GLU 33 Ca -0.05 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3kro h GLU 33 Cb 1.57 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 3kro h GLU 33 CO 0.14 0.82 0.26 1.03 -0.73 0.00 0.00 179.01 180.53 3kro h SER 34 N 0.69 0.85 -0.26 1.04 0.87 -0.82 0.16 113.55 116.09 3kro h SER 34 Ca 0.15 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3kro h SER 34 Cb 0.40 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3kro h SER 34 CO 0.01 0.76 0.12 0.24 -0.53 0.00 0.00 176.83 177.43 3kro h MET 35 N 0.92 0.38 -0.12 2.24 2.86 -0.92 -2.91 114.93 117.37 3kro h MET 35 Ca 0.22 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 3kro h MET 35 Cb 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3kro h MET 35 CO -0.02 0.38 -0.50 0.00 1.06 0.00 0.00 176.91 177.83 3kro h ARG 36 N 0.28 0.34 -0.29 1.72 3.08 -0.79 -1.80 114.38 116.92 3kro h ARG 36 Ca 0.09 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 59.99 3kro h ARG 36 Cb 0.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3kro h ARG 36 CO -0.01 0.77 0.03 -0.92 -1.07 0.00 0.00 179.97 178.76 3kro h TYR 37 N 0.27 0.04 0.06 3.04 5.03 -0.51 -0.16 116.97 124.74 3kro h TYR 37 Ca 0.01 0.02 -0.27 0.00 2.58 0.00 0.00 58.73 61.07 3kro h TYR 37 Cb 0.98 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.27 3kro h TYR 37 CO 0.02 -0.02 -1.40 0.77 -1.32 0.00 0.00 178.16 176.22 3kro h SER 38 N 0.12 0.21 -0.15 -2.11 0.02 -1.54 -3.15 113.55 106.94 3kro h SER 38 Ca 0.14 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 3kro h SER 38 Cb 0.17 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3kro h SER 38 CO -0.21 1.23 -0.10 0.25 -1.14 0.00 0.00 176.83 176.86 3kro h LEU 39 N 0.04 0.36 -1.65 5.07 5.85 -1.16 -3.20 115.31 120.61 3kro h LEU 39 Ca -0.18 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3kro h LEU 39 Cb 1.94 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3kro h LEU 39 CO 0.14 0.72 0.00 0.18 -0.34 0.00 0.00 178.44 179.14 3kro n LEU 40 N -4.60 2.44 0.25 2.25 4.77 -0.09 -4.35 117.00 117.67 3kro n LEU 40 Ca -0.06 -1.13 -0.16 0.00 -0.03 0.00 0.00 56.01 54.64 3kro n LEU 40 Cb 0.33 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3kro n LEU 40 CO 0.38 0.56 0.68 0.00 -1.33 0.00 0.00 177.39 177.69 3kro h ALA 41 N 4.05 -0.68 0.00 -1.18 0.00 -1.54 -3.48 119.26 116.44 3kro h ALA 41 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kro h ALA 41 Cb 0.65 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kro h ALA 41 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 179.25 178.76 3kro n GLY 42 N -1.41 -0.86 3.96 0.00 0.00 -1.26 -5.05 105.19 100.57 3kro n GLY 42 Ca -0.10 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3kro n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kro s GLY 43 N 0.00 1.76 0.53 -0.02 0.00 -1.26 -4.95 107.32 103.38 3kro s GLY 43 Ca 0.00 -1.41 0.32 0.00 0.00 0.00 0.00 44.72 43.63 3kro s GLY 43 CO 0.00 -0.87 1.92 0.50 0.00 0.00 0.00 173.10 174.65 3kro h LYS 44 N -0.70 0.00 -3.74 2.90 1.57 -2.02 -3.47 116.57 111.11 3kro h LYS 44 Ca -0.40 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.09 3kro h LYS 44 Cb 1.27 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.65 3kro h LYS 44 CO 0.45 0.00 -0.45 0.54 -0.57 0.00 0.00 179.45 179.42 3kro n ARG 45 N -3.10 -4.31 -0.23 3.15 5.12 -1.26 -4.91 116.66 111.12 3kro n ARG 45 Ca 0.01 0.63 -0.07 0.00 -1.93 0.00 0.00 57.85 56.49 3kro n ARG 45 Cb 0.35 -4.96 0.03 0.00 -1.16 0.00 0.00 32.46 26.72 3kro n ARG 45 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kro h VAL 46 N -1.34 1.24 0.10 1.55 2.07 -1.99 -1.93 116.25 115.95 3kro h VAL 46 Ca -0.39 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3kro h VAL 46 Cb 1.26 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3kro h VAL 46 CO 0.41 0.32 -0.05 0.03 0.02 0.00 0.00 177.57 178.30 3kro h ARG 47 N 0.91 -0.12 -0.21 1.57 3.08 -1.96 0.77 114.38 118.41 3kro h ARG 47 Ca 0.21 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 3kro h ARG 47 Cb 0.27 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3kro h ARG 47 CO -0.01 0.19 -0.07 -1.00 -1.07 0.00 0.00 179.97 178.01 3kro h PRO 48 N -0.45 0.33 -0.53 0.04 0.13 -1.74 -1.59 132.00 128.19 3kro h PRO 48 Ca -0.01 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 3kro h PRO 48 Cb 0.37 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3kro h PRO 48 CO 0.02 0.42 -0.07 0.52 -0.23 0.00 0.00 178.00 178.66 3kro h MET 49 N 0.32 0.96 -0.63 0.86 2.86 -1.14 -1.61 114.93 116.55 3kro h MET 49 Ca 0.07 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 3kro h MET 49 Cb 0.33 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3kro h MET 49 CO 0.02 0.99 0.19 -0.07 1.06 0.00 0.00 176.91 179.10 3kro h LEU 50 N 0.87 0.92 -0.00 1.22 3.38 -0.41 0.12 115.31 121.41 3kro h LEU 50 Ca 0.15 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kro h LEU 50 Cb 0.60 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kro h LEU 50 CO 0.04 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.46 3kro h ILE 52 N -0.07 1.25 -0.49 0.00 2.04 -1.09 -2.00 117.51 117.15 3kro h ILE 52 Ca 0.00 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 3kro h ILE 52 Cb 0.07 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3kro h ILE 52 CO -0.00 0.33 -0.06 0.00 0.00 0.00 0.00 178.15 178.42 3kro h ALA 53 N 1.15 0.98 -0.10 1.87 0.00 -0.62 -1.10 119.26 121.44 3kro h ALA 53 Ca 0.25 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3kro h ALA 53 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kro h ALA 53 CO -0.02 0.61 -0.61 0.00 0.00 0.00 0.00 179.25 179.23 3kro h ALA 54 N 1.15 0.76 -0.08 0.00 0.00 -1.12 -0.67 119.26 119.29 3kro h ALA 54 Ca 0.14 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kro h ALA 54 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kro h ALA 54 CO 0.03 0.72 0.04 0.00 0.00 0.00 0.00 179.25 180.04 3kro h GLU 56 N 0.01 0.99 -0.91 0.00 5.08 -1.04 -1.59 114.58 117.13 3kro h GLU 56 Ca 0.03 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3kro h GLU 56 Cb 0.12 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 3kro h GLU 56 CO -0.00 0.85 0.54 1.25 -1.00 0.00 0.00 179.01 180.65 3kro h LEU 57 N 0.93 0.78 -1.14 1.33 5.85 -1.13 -2.38 115.31 119.55 3kro h LEU 57 Ca 0.21 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3kro h LEU 57 Cb 0.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kro h LEU 57 CO -0.01 0.42 0.00 1.33 -0.34 0.00 0.00 178.44 179.84 3kro n VAL 58 N -4.69 0.24 0.00 1.05 0.24 -1.11 -4.92 118.33 109.12 3kro n VAL 58 Ca 0.16 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3kro n VAL 58 Cb 0.32 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 3kro n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kro n GLY 59 N 1.13 1.59 3.89 7.63 0.00 -0.89 -4.56 105.19 113.97 3kro n GLY 59 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3kro n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kro s GLY 60 N -1.58 1.78 0.28 -0.02 0.00 -0.61 -4.95 107.32 102.21 3kro s GLY 60 Ca 0.00 -1.24 0.11 0.00 0.00 0.00 0.00 44.72 43.59 3kro s GLY 60 CO 0.00 -0.42 -0.14 0.51 0.00 0.00 0.00 173.10 173.05 3kro s ASP 61 N -4.80 3.88 0.18 1.64 3.84 -1.26 -3.98 116.67 116.16 3kro s ASP 61 Ca 0.75 -0.92 -0.20 0.00 -0.00 0.00 0.00 52.55 52.19 3kro s ASP 61 Cb -0.04 -0.46 0.11 0.00 -1.38 0.00 0.00 42.92 41.15 3kro s ASP 61 CO 0.54 0.02 1.62 -0.08 -0.00 0.00 0.00 175.17 177.27 3kro h GLU 62 N 2.15 -0.15 -1.06 2.11 4.81 -1.95 -2.68 114.58 117.81 3kro h GLU 62 Ca -0.41 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.12 3kro h GLU 62 Cb 1.26 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.56 3kro h GLU 62 CO 0.60 -0.10 0.67 0.66 -0.73 0.00 0.00 179.01 180.11 3kro h SER 63 N -0.15 0.48 0.36 1.04 4.64 -1.97 0.21 113.55 118.15 3kro h SER 63 Ca 0.21 0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.53 3kro h SER 63 Cb 0.49 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3kro h SER 63 CO -0.55 0.03 -0.49 0.74 -0.87 0.00 0.00 176.83 175.69 3kro h THR 64 N 0.39 1.35 0.00 2.95 2.02 -1.69 -3.20 112.91 114.73 3kro h THR 64 Ca 0.65 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 66.11 3kro h THR 64 Cb 1.60 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3kro h THR 64 CO -0.38 0.50 -0.77 0.00 0.37 0.00 0.00 175.52 175.24 3kro n ALA 65 N -2.46 4.14 -0.14 6.16 0.00 0.53 -4.54 120.51 124.21 3kro n ALA 65 Ca -0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 3kro n ALA 65 Cb 0.53 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.07 3kro n ALA 65 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kro h MET 66 N 0.00 0.46 -0.73 0.00 4.05 -0.96 0.13 114.93 117.88 3kro h MET 66 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3kro h MET 66 Cb 0.51 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 3kro h MET 66 CO 0.00 0.30 0.43 -1.35 0.23 0.00 0.00 176.91 176.53 3kro h PRO 67 N 0.47 1.00 -0.39 0.39 0.11 -1.80 0.08 132.00 131.88 3kro h PRO 67 Ca 0.19 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 3kro h PRO 67 Cb 0.07 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3kro h PRO 67 CO -0.12 0.72 -0.16 0.00 -0.21 0.00 0.00 178.00 178.23 3kro h ALA 68 N 1.23 0.99 -0.66 -0.75 0.00 -1.72 0.37 119.26 118.72 3kro h ALA 68 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kro h ALA 68 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kro h ALA 68 CO -0.05 0.60 0.38 0.00 0.00 0.00 0.00 179.25 180.18 3kro h ALA 69 N 1.18 0.85 -0.32 0.00 0.00 -0.27 -0.34 119.26 120.36 3kro h ALA 69 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3kro h ALA 69 Cb 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kro h ALA 69 CO 0.04 0.34 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 3kro h ALA 71 N 1.08 0.55 0.00 0.00 0.00 -0.32 0.51 119.26 121.08 3kro h ALA 71 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3kro h ALA 71 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kro h ALA 71 CO 0.07 0.18 -0.29 -0.39 0.00 0.00 0.00 179.25 178.82 3kro h VAL 72 N 0.54 1.13 0.00 0.00 -1.51 -0.97 -0.91 116.25 114.53 3kro h VAL 72 Ca 0.14 -1.01 -0.10 0.00 -1.23 0.00 0.00 66.70 64.50 3kro h VAL 72 Cb 0.22 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 3kro h VAL 72 CO -0.01 0.28 -0.46 -0.08 -1.23 0.00 0.00 177.57 176.07 3kro h GLU 73 N 0.00 0.00 -0.12 5.19 4.57 -1.17 0.43 114.58 123.47 3kro h GLU 73 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 3kro h GLU 73 Cb 0.53 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3kro h GLU 73 CO 0.04 0.46 -0.50 0.52 -1.18 0.00 0.00 179.01 178.35 3kro h MET 74 N 0.00 0.55 -0.50 1.92 2.86 0.24 -0.83 114.93 119.17 3kro h MET 74 Ca -0.00 -0.43 -0.13 0.00 -2.06 0.00 0.00 59.70 57.08 3kro h MET 74 Cb 1.25 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 3kro h MET 74 CO 0.06 1.06 -0.18 0.82 1.06 0.00 0.00 176.91 179.73 3kro h ILE 75 N 0.17 1.27 -0.48 -1.22 2.04 -1.15 -1.24 117.51 116.89 3kro h ILE 75 Ca -0.03 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3kro h ILE 75 Cb 1.14 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3kro h ILE 75 CO 0.10 0.47 0.31 -0.74 0.00 0.00 0.00 178.15 178.29 3kro h HIS 76 N 0.86 0.62 -0.25 1.37 2.76 -0.88 -1.41 115.15 118.22 3kro h HIS 76 Ca 0.12 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3kro h HIS 76 Cb 0.76 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 3kro h HIS 76 CO 0.05 0.40 0.13 1.15 -1.30 0.00 0.00 177.93 178.36 3kro h THR 77 N 0.65 1.14 0.00 6.26 2.02 -0.96 -2.03 112.91 119.98 3kro h THR 77 Ca 0.18 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 3kro h THR 77 Cb -0.05 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3kro h THR 77 CO -0.04 0.13 -0.18 0.00 0.37 0.00 0.00 175.52 175.80 3kro h MET 78 N 0.28 0.00 0.00 6.66 -0.00 -1.11 -1.17 114.93 119.59 3kro h MET 78 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.70 3kro h MET 78 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 3kro h MET 78 CO -0.01 0.18 -0.42 0.66 -0.00 0.00 0.00 176.91 177.33 3kro h SER 79 N 0.00 0.00 0.46 -0.10 4.64 -0.53 -1.22 113.55 116.79 3kro h SER 79 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3kro h SER 79 Cb 0.58 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3kro h SER 79 CO 0.02 0.42 -1.23 -0.07 -0.87 0.00 0.00 176.83 175.10 3kro h LEU 80 N 0.00 0.57 -0.52 5.97 3.38 -1.04 -1.10 115.31 122.57 3kro h LEU 80 Ca -0.00 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 3kro h LEU 80 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3kro h LEU 80 CO 0.05 1.42 0.31 0.24 0.09 0.00 0.00 178.44 180.55 3kro h MET 81 N 0.14 0.71 -0.04 1.13 2.86 -1.07 -0.61 114.93 118.04 3kro h MET 81 Ca -0.15 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.25 3kro h MET 81 Cb 1.93 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 3kro h MET 81 CO 0.21 0.52 -0.72 0.45 1.06 0.00 0.00 176.91 178.44 3kro h HIS 82 N 0.69 0.29 -0.02 -0.22 3.86 -1.25 -3.23 115.15 115.27 3kro h HIS 82 Ca 0.18 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 3kro h HIS 82 Cb 0.00 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3kro h HIS 82 CO -0.02 0.86 -0.41 0.22 0.86 0.00 0.00 177.93 179.43 3kro h ASP 83 N 0.15 0.05 1.65 2.45 3.58 -0.85 -3.05 116.42 120.40 3kro h ASP 83 Ca -0.02 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3kro h ASP 83 Cb 1.27 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.31 3kro h ASP 83 CO 0.11 0.46 0.00 0.44 -2.88 0.00 0.00 179.24 177.37 3kro h ASP 84 N 0.04 0.00 -4.20 2.28 3.32 -1.13 -0.06 116.42 116.67 3kro h ASP 84 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3kro h ASP 84 Cb 0.75 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.48 3kro h ASP 84 CO 0.06 0.00 0.36 -0.76 -1.72 0.00 0.00 179.24 177.18 3kro s LEU 85 N -5.71 3.18 0.28 1.55 1.43 -1.15 -0.66 118.68 117.59 3kro s LEU 85 Ca 0.07 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.58 3kro s LEU 85 Cb 0.08 -4.59 0.60 0.00 0.03 0.00 0.00 46.19 42.30 3kro s LEU 85 CO 0.62 -2.61 1.76 -0.65 0.23 0.00 0.00 176.35 175.70 3kro h PRO 86 N -0.76 0.62 0.00 1.29 0.11 -1.91 0.31 132.00 131.67 3kro h PRO 86 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kro h PRO 86 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kro h PRO 86 CO 0.47 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 3kro n MET 88 N -1.62 0.00 0.04 0.00 2.81 0.84 -4.95 117.12 114.23 3kro n MET 88 Ca 0.04 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 3kro n MET 88 Cb 0.21 0.00 0.17 0.00 -0.71 0.00 0.00 33.22 32.89 3kro n MET 88 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kro n ASP 89 N 0.00 0.63 -3.46 7.83 8.00 -0.04 -4.96 116.55 124.54 3kro n ASP 89 Ca 0.00 -0.03 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 3kro n ASP 89 Cb 0.00 0.30 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 3kro n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kro n ASN 90 N -1.92 -6.16 -4.83 -2.24 5.15 0.21 -4.97 115.26 100.50 3kro n ASN 90 Ca 0.04 -0.67 -0.22 0.00 -0.60 0.00 0.00 54.58 53.13 3kro n ASN 90 Cb 0.41 -3.77 -0.04 0.00 -0.53 0.00 0.00 39.78 35.85 3kro n ASN 90 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3kro s ASP 91 N -3.19 5.30 0.00 1.20 -0.00 0.16 -4.91 116.67 115.23 3kro s ASP 91 Ca 0.21 -0.44 0.05 0.00 -0.00 0.00 0.00 52.55 52.37 3kro s ASP 91 Cb -0.06 -1.10 -0.05 0.00 -0.00 0.00 0.00 42.92 41.71 3kro s ASP 91 CO 0.82 -0.23 0.21 0.47 -0.00 0.00 0.00 175.17 176.45 3kro n ASP 92 N -1.27 0.25 -4.00 0.27 10.43 -1.26 -4.70 116.55 116.27 3kro n ASP 92 Ca -0.04 -0.63 -0.18 0.00 2.57 0.00 0.00 54.79 56.51 3kro n ASP 92 Cb 0.59 0.97 -0.15 0.00 1.84 0.00 0.00 41.12 44.37 3kro n ASP 92 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3kro s LEU 93 N -2.17 1.95 -0.23 0.64 2.96 -1.26 -2.15 118.68 118.42 3kro s LEU 93 Ca 0.02 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 3kro s LEU 93 Cb 0.04 -0.43 0.07 0.00 0.50 0.00 0.00 46.19 46.37 3kro s LEU 93 CO 0.19 0.08 0.55 -0.60 -1.32 0.00 0.00 176.35 175.25 3kro s ARG 94 N -0.08 0.54 -1.51 1.98 6.06 -0.69 -2.45 118.95 122.79 3kro s ARG 94 Ca 0.01 1.04 -0.13 0.00 -2.50 0.00 0.00 55.73 54.15 3kro s ARG 94 Cb -0.04 0.12 0.08 0.00 0.06 0.00 0.00 34.95 35.17 3kro s ARG 94 CO -0.00 -0.16 0.98 0.54 -2.50 0.00 0.00 175.30 174.16 3kro n ARG 95 N 4.44 -5.65 -1.02 5.12 1.74 0.08 -2.23 116.66 119.13 3kro n ARG 95 Ca -0.20 0.61 -0.01 0.00 -0.77 0.00 0.00 57.85 57.48 3kro n ARG 95 Cb 0.56 -5.50 -0.00 0.00 -1.02 0.00 0.00 32.46 26.50 3kro n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kro n GLY 96 N -1.71 0.44 3.43 -0.13 0.00 0.25 -4.71 105.19 102.76 3kro n GLY 96 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3kro n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kro s LYS 97 N -0.73 1.40 0.45 1.61 -2.85 -0.95 -5.10 119.74 113.58 3kro s LYS 97 Ca 0.00 -1.41 -0.24 0.00 -1.00 0.00 0.00 55.97 53.32 3kro s LYS 97 Cb 0.00 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 36.07 3kro s LYS 97 CO 0.00 -0.54 1.19 -2.30 0.10 0.00 0.00 175.35 173.80 3kro n PRO 98 N -0.34 1.66 -1.72 1.78 -0.02 -1.26 -1.71 135.00 133.39 3kro n PRO 98 Ca -0.00 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 3kro n PRO 98 Cb 0.64 -2.30 0.05 0.00 -0.02 0.00 0.00 33.50 31.87 3kro n PRO 98 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kro n THR 99 N -0.53 4.17 -0.27 3.45 -2.24 -0.91 -4.71 114.28 113.25 3kro n THR 99 Ca 0.08 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 3kro n THR 99 Cb 0.41 -1.55 -0.00 0.00 -2.10 0.00 0.00 70.33 67.09 3kro n THR 99 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3kro h ASN 100 N 1.04 -1.40 -0.20 3.42 -0.73 -1.92 0.21 115.58 116.00 3kro h ASN 100 Ca -0.50 0.26 0.06 0.00 1.87 0.00 0.00 56.30 57.99 3kro h ASN 100 Cb 1.32 0.68 -0.01 0.00 0.27 0.00 0.00 38.32 40.59 3kro h ASN 100 CO 0.55 -0.31 0.16 1.12 -0.37 0.00 0.00 177.43 178.58 3kro h HIS 101 N -0.13 0.00 -0.34 0.67 2.07 -1.89 -0.84 115.15 114.69 3kro h HIS 101 Ca 0.24 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.64 3kro h HIS 101 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 3kro h HIS 101 CO -0.75 0.00 -0.27 0.52 -3.07 0.00 0.00 177.93 174.36 3kro h MET 102 N 0.00 0.70 0.00 5.12 2.86 -1.26 0.47 114.93 122.82 3kro h MET 102 Ca 0.10 -0.30 -0.14 0.00 -2.06 0.00 0.00 59.70 57.29 3kro h MET 102 Cb 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3kro h MET 102 CO -0.00 0.90 -0.77 0.00 1.06 0.00 0.00 176.91 178.10 3kro h ALA 103 N 1.09 0.59 0.00 6.32 0.00 -0.88 -3.39 119.26 122.99 3kro h ALA 103 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3kro h ALA 103 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kro h ALA 103 CO 0.06 0.84 0.00 1.19 0.00 0.00 0.00 179.25 181.34 3kro n PHE 104 N -3.21 0.00 0.00 0.00 3.01 -0.43 -5.12 117.46 111.72 3kro n PHE 104 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kro n PHE 104 Cb 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 3kro n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kro n GLY 105 N 0.35 1.66 0.26 1.37 0.00 0.17 -4.39 105.19 104.60 3kro n GLY 105 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.25 3kro n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kro h GLU 106 N 0.00 0.39 0.39 1.61 5.08 -1.92 -2.61 114.58 117.52 3kro h GLU 106 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3kro h GLU 106 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3kro h GLU 106 CO 0.00 0.45 -0.19 1.03 -1.00 0.00 0.00 179.01 179.30 3kro h SER 107 N 0.38 -0.45 -0.40 1.42 0.87 -1.94 -1.55 113.55 111.88 3kro h SER 107 Ca 0.08 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3kro h SER 107 Cb 0.31 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3kro h SER 107 CO 0.01 -0.28 -0.01 0.58 -0.53 0.00 0.00 176.83 176.59 3kro h VAL 108 N -0.57 1.24 -0.47 2.23 2.07 -1.76 -2.25 116.25 116.74 3kro h VAL 108 Ca -0.05 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 3kro h VAL 108 Cb 0.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3kro h VAL 108 CO 0.09 0.36 -0.01 0.00 0.02 0.00 0.00 177.57 178.03 3kro h ALA 109 N 1.24 0.64 0.18 1.67 0.00 -1.37 0.34 119.26 121.96 3kro h ALA 109 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kro h ALA 109 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kro h ALA 109 CO 0.02 0.45 -0.09 0.28 0.00 0.00 0.00 179.25 179.91 3kro h VAL 110 N 0.69 0.88 -0.75 0.00 2.07 -1.11 -2.28 116.25 115.75 3kro h VAL 110 Ca 0.13 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3kro h VAL 110 Cb 0.52 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3kro h VAL 110 CO 0.03 0.07 0.26 -0.07 0.02 0.00 0.00 177.57 177.88 3kro h LEU 111 N -0.40 1.07 -1.16 2.57 3.38 -1.22 -0.04 115.31 119.52 3kro h LEU 111 Ca -0.03 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 3kro h LEU 111 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kro h LEU 111 CO 0.04 0.97 -0.16 0.00 0.09 0.00 0.00 178.44 179.39 3kro h ALA 112 N 1.17 1.30 -0.00 1.53 0.00 -0.36 0.16 119.26 123.06 3kro h ALA 112 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kro h ALA 112 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kro h ALA 112 CO -0.01 0.46 -0.00 0.78 0.00 0.00 0.00 179.25 180.48 3kro h GLY 113 N 0.91 0.01 0.92 0.00 0.00 -0.71 -1.86 103.07 102.34 3kro h GLY 113 Ca 0.07 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.45 3kro h GLY 113 CO 0.03 0.01 0.57 -0.55 0.00 0.00 0.00 176.54 176.59 3kro h ASP 114 N -0.40 0.87 -0.51 0.19 3.32 -0.66 -1.98 116.42 117.26 3kro h ASP 114 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3kro h ASP 114 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3kro h ASP 114 CO 0.00 0.57 0.05 0.00 -1.72 0.00 0.00 179.24 178.14 3kro h ALA 115 N 1.52 0.68 -0.52 3.45 0.00 -0.71 -2.47 119.26 121.21 3kro h ALA 115 Ca 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kro h ALA 115 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kro h ALA 115 CO -0.13 0.45 0.23 -0.07 0.00 0.00 0.00 179.25 179.72 3kro h LEU 116 N 0.74 0.67 -0.22 0.00 3.38 -0.64 -0.34 115.31 118.90 3kro h LEU 116 Ca 0.15 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3kro h LEU 116 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kro h LEU 116 CO 0.02 0.59 -0.10 0.25 0.09 0.00 0.00 178.44 179.28 3kro h LEU 117 N 0.74 0.48 -0.23 1.67 5.85 -0.97 -0.93 115.31 121.92 3kro h LEU 117 Ca 0.18 -0.41 -0.13 0.00 0.84 0.00 0.00 57.88 58.37 3kro h LEU 117 Cb 0.11 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3kro h LEU 117 CO -0.02 0.78 -0.35 -1.28 -0.34 0.00 0.00 178.44 177.22 3kro h SER 118 N 0.17 0.70 0.34 1.25 0.87 -1.37 -3.05 113.55 112.46 3kro h SER 118 Ca 0.05 -0.52 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 3kro h SER 118 Cb 0.59 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3kro h SER 118 CO 0.03 1.09 -0.23 0.15 -0.53 0.00 0.00 176.83 177.35 3kro h PHE 119 N 0.34 0.00 -0.79 2.24 3.04 -1.03 -1.37 116.94 119.36 3kro h PHE 119 Ca 0.02 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 3kro h PHE 119 Cb 0.94 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 3kro h PHE 119 CO 0.08 0.23 0.42 0.00 -2.02 0.00 0.00 178.31 177.02 3kro h ALA 120 N 1.77 1.25 -0.25 2.41 0.00 -1.05 0.20 119.26 123.60 3kro h ALA 120 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 3kro h ALA 120 Cb 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kro h ALA 120 CO 0.03 0.60 -0.50 0.74 0.00 0.00 0.00 179.25 180.12 3kro h PHE 121 N 1.11 0.99 0.29 0.00 0.04 -1.34 -2.22 116.94 115.81 3kro h PHE 121 Ca 0.28 -0.36 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3kro h PHE 121 Cb 0.04 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 3kro h PHE 121 CO 0.01 1.16 -0.18 1.49 -0.60 0.00 0.00 178.31 180.20 3kro h GLU 122 N 0.54 -0.43 -0.92 1.51 4.81 -0.91 -2.25 114.58 116.92 3kro h GLU 122 Ca 0.01 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3kro h GLU 122 Cb 1.11 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 3kro h GLU 122 CO 0.11 -0.29 0.60 1.25 -0.73 0.00 0.00 179.01 179.95 3kro h HIS 123 N -0.45 1.12 -0.03 0.92 2.76 -0.58 0.47 115.15 119.36 3kro h HIS 123 Ca -0.03 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 3kro h HIS 123 Cb 0.37 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3kro h HIS 123 CO -0.09 0.64 -0.73 0.28 -1.30 0.00 0.00 177.93 176.73 3kro h VAL 124 N 1.16 1.44 -0.16 5.26 2.07 -1.28 -0.28 116.25 124.47 3kro h VAL 124 Ca 0.37 -2.30 -0.20 0.00 0.82 0.00 0.00 66.70 65.39 3kro h VAL 124 Cb 0.01 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3kro h VAL 124 CO -0.12 0.67 -0.71 0.00 0.02 0.00 0.00 177.57 177.43 3kro h ALA 125 N 1.11 0.45 0.00 1.67 0.00 -0.93 -3.11 119.26 118.46 3kro h ALA 125 Ca -0.02 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3kro h ALA 125 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3kro h ALA 125 CO 0.11 0.70 -2.03 0.00 0.00 0.00 0.00 179.25 178.04 3kro n ALA 126 N -2.57 2.45 1.01 0.00 0.00 0.11 -4.47 120.51 117.05 3kro n ALA 126 Ca -0.06 -0.68 0.11 0.00 0.00 0.00 0.00 53.44 52.81 3kro n ALA 126 Cb 0.70 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3kro n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kro n ALA 127 N -2.33 4.16 -2.47 0.00 0.00 -0.12 -4.93 120.51 114.83 3kro n ALA 127 Ca -0.10 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 3kro n ALA 127 Cb 0.68 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 3kro n ALA 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kro s THR 128 N -2.78 4.21 0.04 0.00 2.01 -1.17 -4.87 115.64 113.08 3kro s THR 128 Ca 0.13 1.58 0.06 0.00 0.31 0.00 0.00 61.69 63.77 3kro s THR 128 Cb 0.17 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 3kro s THR 128 CO 0.73 0.08 -0.18 -0.54 -0.69 0.00 0.00 174.62 174.03 3kro s LYS 129 N 1.46 1.18 0.00 4.92 -0.14 -1.26 -4.78 119.74 121.12 3kro s LYS 129 Ca 0.57 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 3kro s LYS 129 Cb -0.27 -1.25 0.00 0.00 -1.68 0.00 0.00 37.83 34.64 3kro s LYS 129 CO 0.27 0.32 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 3kro n GLY 130 N 1.91 1.08 3.10 -3.33 0.00 -1.26 -4.45 105.19 102.23 3kro n GLY 130 Ca -0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 3kro n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kro s ALA 131 N -2.00 -0.52 0.68 4.61 0.00 -1.26 -5.02 121.76 118.24 3kro s ALA 131 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 3kro s ALA 131 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3kro s ALA 131 CO 0.00 -0.11 1.20 -1.25 0.00 0.00 0.00 175.76 175.60 3kro s PRO 132 N -0.03 2.49 0.24 0.00 0.04 -1.26 -4.83 135.00 131.65 3kro s PRO 132 Ca -0.01 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 3kro s PRO 132 Cb -0.02 -1.88 0.39 0.00 0.04 0.00 0.00 34.50 33.04 3kro s PRO 132 CO 0.00 -1.56 1.81 -1.35 0.04 0.00 0.00 177.00 175.95 3kro h PRO 133 N 0.13 0.77 0.00 0.56 0.11 -2.00 -0.53 132.00 131.05 3kro h PRO 133 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3kro h PRO 133 Cb 1.29 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kro h PRO 133 CO 0.52 0.51 -0.04 1.49 -0.21 0.00 0.00 178.00 180.27 3kro h GLU 134 N 0.79 0.00 0.16 1.05 4.57 -1.99 -0.66 114.58 118.50 3kro h GLU 134 Ca 0.40 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.28 3kro h GLU 134 Cb 0.36 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3kro h GLU 134 CO -0.24 0.04 -1.30 -0.09 -1.18 0.00 0.00 179.01 176.23 3kro h ARG 135 N 0.00 0.46 -0.26 1.92 2.43 -1.48 -2.58 114.38 114.87 3kro h ARG 135 Ca -0.00 -0.71 -0.02 0.00 -0.81 0.00 0.00 59.98 58.43 3kro h ARG 135 Cb 0.07 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3kro h ARG 135 CO 0.00 1.33 0.07 0.82 -1.51 0.00 0.00 179.97 180.68 3kro h ILE 136 N 0.16 1.21 -0.80 1.20 2.04 -0.61 -1.97 117.51 118.74 3kro h ILE 136 Ca -0.19 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.10 3kro h ILE 136 Cb 2.00 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 39.16 3kro h ILE 136 CO 0.23 0.22 0.46 0.58 0.00 0.00 0.00 178.15 179.64 3kro h VAL 137 N 0.25 0.92 -0.72 1.67 2.07 -1.20 0.76 116.25 119.98 3kro h VAL 137 Ca 0.08 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kro h VAL 137 Cb 0.26 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3kro h VAL 137 CO -0.00 0.14 0.41 -0.09 0.02 0.00 0.00 177.57 178.05 3kro h ARG 138 N 0.77 1.00 -0.38 1.57 2.43 -1.28 -1.93 114.38 116.57 3kro h ARG 138 Ca 0.38 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3kro h ARG 138 Cb 0.34 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3kro h ARG 138 CO -0.24 0.74 -0.00 0.28 -1.51 0.00 0.00 179.97 179.24 3kro h VAL 139 N 1.00 1.26 -0.96 0.20 2.07 -0.33 -1.43 116.25 118.06 3kro h VAL 139 Ca 0.26 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.85 3kro h VAL 139 Cb 0.02 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 3kro h VAL 139 CO -0.04 0.33 0.61 -0.07 0.02 0.00 0.00 177.57 178.42 3kro h LEU 140 N 0.49 0.97 -0.47 2.57 3.38 -0.50 0.05 115.31 121.80 3kro h LEU 140 Ca 0.11 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3kro h LEU 140 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3kro h LEU 140 CO 0.02 0.61 -0.16 1.23 0.09 0.00 0.00 178.44 180.24 3kro h GLY 141 N 1.10 1.00 1.24 0.83 0.00 -1.07 -0.58 103.07 105.60 3kro h GLY 141 Ca 0.42 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3kro h GLY 141 CO -0.18 0.78 0.13 0.83 0.00 0.00 0.00 176.54 178.11 3kro h GLU 142 N 0.77 0.94 -0.25 4.80 4.39 -0.14 -0.55 114.58 124.54 3kro h GLU 142 Ca 0.11 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3kro h GLU 142 Cb 0.72 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3kro h GLU 142 CO 0.05 0.85 0.08 1.25 -1.16 0.00 0.00 179.01 180.09 3kro h LEU 143 N 0.90 0.36 -0.32 1.33 5.85 -0.86 -1.16 115.31 121.41 3kro h LEU 143 Ca 0.19 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kro h LEU 143 Cb 0.34 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3kro h LEU 143 CO 0.00 0.47 0.21 0.00 -0.34 0.00 0.00 178.44 178.78 3kro h ALA 144 N 0.91 0.41 -0.02 1.25 0.00 -0.90 -2.69 119.26 118.21 3kro h ALA 144 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3kro h ALA 144 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kro h ALA 144 CO -0.00 -0.12 -0.47 0.28 0.00 0.00 0.00 179.25 178.93 3kro h VAL 145 N 0.44 1.34 0.00 0.00 2.07 -1.00 -2.80 116.25 116.30 3kro h VAL 145 Ca 0.12 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3kro h VAL 145 Cb -0.05 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3kro h VAL 145 CO -0.03 0.47 0.00 -1.54 0.02 0.00 0.00 177.57 176.50 3kro n SER 146 N -3.97 0.41 -0.09 0.57 3.41 -0.45 -3.81 113.62 109.68 3kro n SER 146 Ca -0.02 0.55 0.02 0.00 -0.26 0.00 0.00 58.87 59.16 3kro n SER 146 Cb 0.50 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3kro n SER 146 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3kro n ILE 147 N -1.89 0.00 -0.48 -1.33 -5.35 -1.05 -1.99 119.36 107.27 3kro n ILE 147 Ca 0.05 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3kro n ILE 147 Cb 0.34 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3kro n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kro n GLY 148 N 0.51 1.84 0.00 3.28 0.00 -1.07 -2.13 105.19 107.61 3kro n GLY 148 Ca 0.02 -1.80 0.04 0.00 0.00 0.00 0.00 46.02 44.28 3kro n GLY 148 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kro n SER 149 N 0.00 0.00 -0.13 1.61 7.64 -1.26 -0.69 113.62 120.79 3kro n SER 149 Ca 0.00 0.04 0.06 0.00 1.01 0.00 0.00 58.87 59.98 3kro n SER 149 Cb 0.00 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.08 3kro n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kro n GLU 150 N -1.20 1.30 0.00 1.43 1.02 -1.26 -4.50 120.64 117.42 3kro n GLU 150 Ca 0.05 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 3kro n GLU 150 Cb 0.05 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3kro n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kro n GLY 151 N -0.91 4.99 0.28 0.62 0.00 0.14 -4.87 105.19 105.44 3kro n GLY 151 Ca 0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 3kro n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kro h LEU 152 N 0.00 -0.80 -1.00 0.99 6.46 -0.70 -2.05 115.31 118.21 3kro h LEU 152 Ca 0.00 0.21 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 3kro h LEU 152 Cb 0.00 0.46 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 3kro h LEU 152 CO 0.00 -0.25 0.16 0.58 -0.62 0.00 0.00 178.44 178.31 3kro h VAL 153 N -0.06 1.23 -0.43 1.05 2.07 -1.09 -2.27 116.25 116.73 3kro h VAL 153 Ca 0.29 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3kro h VAL 153 Cb 0.51 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kro h VAL 153 CO -0.67 0.31 0.21 0.00 0.02 0.00 0.00 177.57 177.43 3kro h ALA 154 N 1.32 0.56 -0.36 1.67 0.00 -1.21 0.33 119.26 121.56 3kro h ALA 154 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kro h ALA 154 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kro h ALA 154 CO -0.01 0.11 0.00 0.78 0.00 0.00 0.00 179.25 180.14 3kro h GLY 155 N 0.56 0.61 1.19 0.00 0.00 -1.31 0.25 103.07 104.37 3kro h GLY 155 Ca 0.15 -0.37 -0.23 0.00 0.00 0.00 0.00 47.33 46.88 3kro h GLY 155 CO -0.02 0.34 -0.83 -1.61 0.00 0.00 0.00 176.54 174.43 3kro h GLN 156 N 0.54 0.78 -0.01 4.80 5.75 -1.07 -0.62 115.11 125.29 3kro h GLN 156 Ca 0.12 -0.67 -0.23 0.00 -0.15 0.00 0.00 58.65 57.71 3kro h GLN 156 Cb 0.34 0.15 0.01 0.00 1.07 0.00 0.00 27.48 29.05 3kro h GLN 156 CO 0.01 1.27 -0.95 -0.39 -2.65 0.00 0.00 178.83 176.12 3kro h VAL 157 N 0.52 1.37 0.00 2.39 -1.51 -0.53 -2.47 116.25 116.01 3kro h VAL 157 Ca -0.07 -2.37 -0.06 0.00 -1.23 0.00 0.00 66.70 62.97 3kro h VAL 157 Cb 1.46 2.38 -0.01 0.00 -2.13 0.00 0.00 31.29 32.99 3kro h VAL 157 CO 0.17 0.72 -0.28 0.58 -1.23 0.00 0.00 177.57 177.53 3kro h VAL 158 N 0.28 0.88 -0.35 7.19 2.07 -0.53 -1.97 116.25 123.81 3kro h VAL 158 Ca -0.09 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 3kro h VAL 158 Cb 1.59 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3kro h VAL 158 CO 0.17 0.27 -0.21 -0.78 0.02 0.00 0.00 177.57 177.05 3kro h ASP 159 N 0.00 0.79 0.83 0.57 3.58 -0.85 -2.19 116.42 119.15 3kro h ASP 159 Ca -0.00 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.02 3kro h ASP 159 Cb 0.63 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.46 3kro h ASP 159 CO 0.04 1.04 -0.17 1.33 -2.88 0.00 0.00 179.24 178.60 3kro n VAL 160 N -4.28 0.00 1.01 2.25 0.24 -0.95 -2.89 118.33 113.71 3kro n VAL 160 Ca -0.02 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.39 3kro n VAL 160 Cb 0.43 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.57 3kro n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kro n SER 162 N 0.10 1.56 0.04 0.00 7.64 -0.83 -4.74 113.62 117.38 3kro n SER 162 Ca 0.10 -2.97 0.13 0.00 1.01 0.00 0.00 58.87 57.13 3kro n SER 162 Cb 0.48 -0.42 0.34 0.00 -1.01 0.00 0.00 64.21 63.60 3kro n SER 162 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3kro n GLU 163 N -0.36 0.14 -0.00 1.43 2.13 -1.14 -3.52 120.64 119.31 3kro n GLU 163 Ca 0.14 0.07 0.01 0.00 0.66 0.00 0.00 57.16 58.03 3kro n GLU 163 Cb 0.91 -1.61 0.01 0.00 0.27 0.00 0.00 31.44 31.01 3kro n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kro n GLY 164 N 1.41 -0.86 3.57 8.31 0.00 -1.26 -3.05 105.19 113.31 3kro n GLY 164 Ca 0.05 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3kro n GLY 164 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kro s MET 165 N -0.21 2.55 0.29 1.61 0.00 -1.23 -4.79 119.30 117.52 3kro s MET 165 Ca 0.02 1.53 0.25 0.00 0.00 0.00 0.00 55.69 57.49 3kro s MET 165 Cb 0.01 -4.48 0.57 0.00 0.00 0.00 0.00 34.83 30.94 3kro s MET 165 CO 0.02 -2.77 1.66 0.00 0.00 0.00 0.00 175.02 173.92 3kro h ALA 166 N 17.32 0.96 -0.92 4.11 0.00 -1.92 -3.34 119.26 135.46 3kro h ALA 166 Ca -0.30 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.89 3kro h ALA 166 Cb 1.24 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 3kro h ALA 166 CO 1.09 0.00 1.10 0.39 0.00 0.00 0.00 179.25 181.84 3kro n GLU 167 N -2.59 3.66 -2.19 0.00 1.02 -1.26 -5.02 120.64 114.26 3kro n GLU 167 Ca 0.05 -3.58 -0.40 0.00 -0.02 0.00 0.00 57.16 53.21 3kro n GLU 167 Cb 0.47 -2.35 -0.02 0.00 -0.02 0.00 0.00 31.44 29.53 3kro n GLU 167 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kro s VAL 168 N -3.76 2.89 0.13 2.62 1.01 -1.26 -5.06 120.40 116.98 3kro s VAL 168 Ca 0.50 0.85 0.06 0.00 0.00 0.00 0.00 61.98 63.40 3kro s VAL 168 Cb 0.33 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3kro s VAL 168 CO -0.26 0.17 -0.15 -0.83 0.00 0.00 0.00 175.10 174.04 3kro s GLY 169 N -0.69 1.16 0.33 4.51 0.00 -1.26 -5.03 107.32 106.34 3kro s GLY 169 Ca 0.51 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3kro s GLY 169 CO 0.48 -1.41 1.96 1.41 0.00 0.00 0.00 173.10 175.54 3kro h LEU 170 N 3.41 0.81 -0.38 0.66 3.38 -1.98 -0.40 115.31 120.81 3kro h LEU 170 Ca -0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3kro h LEU 170 Cb 1.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3kro h LEU 170 CO 0.51 0.55 0.19 0.44 0.09 0.00 0.00 178.44 180.23 3kro h ASP 171 N 0.94 0.48 -0.06 -0.43 5.19 -1.98 0.18 116.42 120.74 3kro h ASP 171 Ca 0.31 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 3kro h ASP 171 Cb 0.07 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 3kro h ASP 171 CO -0.09 0.46 0.01 -0.74 -3.12 0.00 0.00 179.24 175.76 3kro h HIS 172 N 0.47 0.10 -0.85 4.55 2.76 -1.83 -1.37 115.15 118.99 3kro h HIS 172 Ca 0.13 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3kro h HIS 172 Cb 0.09 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 3kro h HIS 172 CO -0.02 0.31 0.48 1.25 -1.30 0.00 0.00 177.93 178.64 3kro h LEU 173 N -0.13 1.05 -0.62 0.26 5.85 -0.97 -1.99 115.31 118.75 3kro h LEU 173 Ca 0.02 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3kro h LEU 173 Cb 0.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3kro h LEU 173 CO 0.00 0.83 0.26 -0.33 -0.34 0.00 0.00 178.44 178.87 3kro h GLU 174 N 1.18 0.92 -0.92 1.25 3.07 -0.51 -1.63 114.58 117.94 3kro h GLU 174 Ca 0.30 -0.16 0.05 0.00 -0.50 0.00 0.00 59.36 59.06 3kro h GLU 174 Cb 0.01 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 27.70 3kro h GLU 174 CO -0.05 0.77 0.59 0.35 -1.40 0.00 0.00 179.01 179.27 3kro h PHE 175 N 0.87 1.09 0.39 4.33 3.04 -0.54 -0.51 116.94 125.61 3kro h PHE 175 Ca 0.21 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.17 3kro h PHE 175 Cb 0.18 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.34 3kro h PHE 175 CO 0.01 0.58 -0.19 0.82 -2.02 0.00 0.00 178.31 177.52 3kro h ILE 176 N 1.09 0.50 -0.53 1.41 2.04 -0.97 -2.32 117.51 118.73 3kro h ILE 176 Ca 0.39 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3kro h ILE 176 Cb 0.11 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3kro h ILE 176 CO -0.16 0.09 0.34 0.45 0.00 0.00 0.00 178.15 178.87 3kro h HIS 177 N -0.90 0.63 -0.49 1.37 3.86 -1.19 0.33 115.15 118.76 3kro h HIS 177 Ca -0.05 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3kro h HIS 177 Cb 0.55 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3kro h HIS 177 CO 0.02 0.38 0.30 1.25 0.86 0.00 0.00 177.93 180.74 3kro h HIS 178 N 0.68 0.56 0.03 2.45 -0.00 -1.17 -1.65 115.15 116.05 3kro h HIS 178 Ca 0.21 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.44 3kro h HIS 178 Cb -0.03 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.21 3kro h HIS 178 CO -0.05 0.32 -0.62 0.45 -0.00 0.00 0.00 177.93 178.03 3kro h HIS 179 N 0.60 0.57 -0.15 5.26 -0.00 -1.12 0.37 115.15 120.68 3kro h HIS 179 Ca 0.20 -0.33 -0.13 0.00 -0.00 0.00 0.00 60.37 60.11 3kro h HIS 179 Cb 0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 3kro h HIS 179 CO -0.06 1.17 -0.46 -0.22 -0.00 0.00 0.00 177.93 178.36 3kro h LYS 180 N -0.20 0.37 0.00 2.45 3.64 -0.39 -1.92 116.57 120.52 3kro h LYS 180 Ca -0.09 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3kro h LYS 180 Cb 1.37 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3kro h LYS 180 CO 0.12 0.76 -0.73 2.41 -2.27 0.00 0.00 179.45 179.74 3kro n THR 181 N -3.99 0.00 -0.05 1.00 -1.04 -0.70 -4.78 114.28 104.73 3kro n THR 181 Ca -0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 3kro n THR 181 Cb 0.53 -1.04 0.24 0.00 -1.82 0.00 0.00 70.33 68.24 3kro n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kro h ALA 182 N 0.00 1.27 -0.85 2.41 0.00 -0.59 -2.98 119.26 118.53 3kro h ALA 182 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 3kro h ALA 182 Cb 0.73 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3kro h ALA 182 CO 0.00 0.49 0.52 0.00 0.00 0.00 0.00 179.25 180.26 3kro h ALA 183 N 1.41 1.17 -0.02 0.00 0.00 -0.42 0.10 119.26 121.49 3kro h ALA 183 Ca 0.13 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3kro h ALA 183 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kro h ALA 183 CO 0.01 0.24 -0.80 1.25 0.00 0.00 0.00 179.25 179.95 3kro h LEU 184 N 0.93 0.29 -0.43 0.00 5.85 -1.65 -1.71 115.31 118.58 3kro h LEU 184 Ca 0.38 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3kro h LEU 184 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kro h LEU 184 CO -0.19 0.97 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.76 3kro h LEU 185 N 0.14 0.80 -0.35 2.25 3.38 -1.24 -1.03 115.31 119.26 3kro h LEU 185 Ca -0.04 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3kro h LEU 185 Cb 1.39 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 3kro h LEU 185 CO 0.12 0.95 0.11 1.56 0.09 0.00 0.00 178.44 181.27 3kro h GLN 186 N 0.63 0.24 -1.01 1.13 4.20 -0.77 -1.95 115.11 117.59 3kro h GLN 186 Ca 0.12 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.90 3kro h GLN 186 Cb 0.57 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 3kro h GLN 186 CO 0.03 0.16 0.65 0.78 -0.67 0.00 0.00 178.83 179.78 3kro h GLY 187 N 0.25 1.57 0.96 3.46 0.00 -1.10 0.50 103.07 108.72 3kro h GLY 187 Ca 0.16 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3kro h GLY 187 CO -0.17 0.28 -0.07 1.76 0.00 0.00 0.00 176.54 178.34 3kro h SER 188 N 1.12 0.74 -0.36 0.19 0.02 -0.53 0.15 113.55 114.88 3kro h SER 188 Ca 0.46 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3kro h SER 188 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3kro h SER 188 CO -0.21 0.91 -0.06 0.58 -1.14 0.00 0.00 176.83 176.92 3kro h VAL 189 N 0.55 1.27 -0.47 2.27 2.07 -0.84 -2.90 116.25 118.20 3kro h VAL 189 Ca 0.10 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 3kro h VAL 189 Cb 0.58 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3kro h VAL 189 CO 0.03 0.36 0.14 0.58 0.02 0.00 0.00 177.57 178.71 3kro h VAL 190 N 0.46 1.23 -0.85 2.57 2.07 0.11 -1.57 116.25 120.27 3kro h VAL 190 Ca 0.09 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3kro h VAL 190 Cb 0.55 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3kro h VAL 190 CO 0.03 0.28 0.55 -0.07 0.02 0.00 0.00 177.57 178.38 3kro h LEU 191 N 0.63 0.92 -0.01 2.57 3.38 -0.98 -0.49 115.31 121.33 3kro h LEU 191 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kro h LEU 191 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kro h LEU 191 CO -0.00 0.64 0.00 1.23 0.09 0.00 0.00 178.44 180.40 3kro h GLY 192 N 1.08 0.01 1.01 0.83 0.00 -1.32 -0.48 103.07 104.21 3kro h GLY 192 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3kro h GLY 192 CO -0.11 0.01 0.63 0.00 0.00 0.00 0.00 176.54 177.07 3kro h ALA 193 N 0.71 1.25 -0.22 3.60 0.00 -1.04 0.38 119.26 123.95 3kro h ALA 193 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3kro h ALA 193 Cb 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kro h ALA 193 CO 0.00 0.67 -0.39 0.82 0.00 0.00 0.00 179.25 180.34 3kro h ILE 194 N 1.34 1.32 0.00 0.00 2.04 -1.09 -0.44 117.51 120.68 3kro h ILE 194 Ca 0.36 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3kro h ILE 194 Cb -0.11 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3kro h ILE 194 CO -0.07 0.50 0.00 -0.07 0.00 0.00 0.00 178.15 178.51 3kro h LEU 195 N 0.35 0.00 -0.03 1.44 3.38 -0.74 -2.41 115.31 117.30 3kro h LEU 195 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kro h LEU 195 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3kro h LEU 195 CO 0.09 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.15 3kro n GLY 196 N 0.29 -1.35 0.21 0.83 0.00 0.13 -4.88 105.19 100.42 3kro n GLY 196 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3kro n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 197 N 1.43 0.85 3.60 -0.02 0.00 -0.91 -3.06 105.19 107.08 3kro n GLY 197 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3kro n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 198 N -2.07 -0.46 3.88 -0.02 0.00 -0.19 -4.98 105.19 101.35 3kro n GLY 198 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3kro n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kro s LYS 199 N -2.75 3.71 0.32 1.61 3.01 -1.26 -4.84 119.74 119.54 3kro s LYS 199 Ca 0.76 0.46 0.10 0.00 -1.01 0.00 0.00 55.97 56.28 3kro s LYS 199 Cb -0.41 -2.34 0.90 0.00 -1.01 0.00 0.00 37.83 34.97 3kro s LYS 199 CO 0.47 -0.15 1.73 0.93 0.51 0.00 0.00 175.35 178.84 3kro h GLU 200 N 0.82 0.55 -0.58 1.68 4.39 -1.99 0.69 114.58 120.14 3kro h GLU 200 Ca -0.47 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.11 3kro h GLU 200 Cb 1.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3kro h GLU 200 CO 0.63 0.36 0.02 1.49 -1.16 0.00 0.00 179.01 180.35 3kro h GLU 201 N 0.57 1.00 -0.40 2.33 4.81 -1.99 -1.02 114.58 119.87 3kro h GLU 201 Ca 0.65 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3kro h GLU 201 Cb 1.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3kro h GLU 201 CO -0.48 0.99 -0.09 0.93 -0.73 0.00 0.00 179.01 179.63 3kro h GLU 202 N 0.90 0.70 -0.47 1.92 5.08 -1.27 -1.49 114.58 119.94 3kro h GLU 202 Ca 0.17 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3kro h GLU 202 Cb 0.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3kro h GLU 202 CO 0.03 0.78 0.14 0.28 -1.00 0.00 0.00 179.01 179.24 3kro h VAL 203 N 0.64 1.23 -0.61 3.13 2.07 -0.95 -1.32 116.25 120.43 3kro h VAL 203 Ca 0.12 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3kro h VAL 203 Cb 0.54 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kro h VAL 203 CO 0.03 0.28 0.12 0.00 0.02 0.00 0.00 177.57 178.02 3kro h ALA 204 N 1.00 0.81 -0.19 1.67 0.00 -0.94 0.18 119.26 121.79 3kro h ALA 204 Ca 0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3kro h ALA 204 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kro h ALA 204 CO -0.00 0.55 -0.34 0.87 0.00 0.00 0.00 179.25 180.32 3kro h LYS 205 N 0.91 0.40 -0.07 0.00 1.79 -1.13 -2.41 116.57 116.05 3kro h LYS 205 Ca 0.19 -0.17 -0.19 0.00 -2.18 0.00 0.00 60.65 58.30 3kro h LYS 205 Cb 0.40 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3kro h LYS 205 CO 0.01 0.69 -0.75 -0.07 -1.08 0.00 0.00 179.45 178.25 3kro h LEU 206 N 0.34 0.49 -0.45 2.94 3.38 -0.89 -1.05 115.31 120.07 3kro h LEU 206 Ca 0.04 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3kro h LEU 206 Cb 0.77 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3kro h LEU 206 CO 0.06 1.08 0.29 -0.09 0.09 0.00 0.00 178.44 179.87 3kro h ARG 207 N 0.28 0.58 -0.09 1.13 2.43 -0.48 0.77 114.38 118.98 3kro h ARG 207 Ca -0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kro h ARG 207 Cb 1.34 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3kro h ARG 207 CO 0.13 0.38 0.04 -0.22 -1.51 0.00 0.00 179.97 178.79 3kro h LYS 208 N 0.60 0.14 -0.51 0.20 3.64 -1.39 0.30 116.57 119.55 3kro h LYS 208 Ca 0.16 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3kro h LYS 208 Cb -0.06 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3kro h LYS 208 CO -0.04 0.26 0.14 0.35 -2.27 0.00 0.00 179.45 177.89 3kro h PHE 209 N -0.01 0.24 -0.06 1.91 3.57 -0.77 -1.88 116.94 119.94 3kro h PHE 209 Ca 0.03 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3kro h PHE 209 Cb 0.17 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3kro h PHE 209 CO -0.02 0.04 -0.27 0.00 -2.23 0.00 0.00 178.31 175.84 3kro h ALA 210 N 1.37 1.45 -0.63 2.41 0.00 0.12 -2.29 119.26 121.68 3kro h ALA 210 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kro h ALA 210 Cb 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3kro h ALA 210 CO -0.29 0.40 0.33 -0.97 0.00 0.00 0.00 179.25 178.72 3kro h ASN 211 N 0.09 0.79 0.33 0.00 -1.24 0.36 0.39 115.58 116.30 3kro h ASN 211 Ca 0.01 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 3kro h ASN 211 Cb 0.53 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.38 3kro h ASN 211 CO 0.04 0.67 -0.16 0.00 -1.29 0.00 0.00 177.43 176.69 3kro h ILE 213 N -0.60 0.96 0.36 0.00 3.07 -1.39 0.04 117.51 119.95 3kro h ILE 213 Ca -0.05 -1.15 -0.02 0.00 1.55 0.00 0.00 64.86 65.19 3kro h ILE 213 Cb 0.44 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3kro h ILE 213 CO 0.07 0.30 -0.17 1.23 -1.05 0.00 0.00 178.15 178.53 3kro h GLY 214 N 1.34 -0.50 1.23 0.16 0.00 0.08 0.30 103.07 105.68 3kro h GLY 214 Ca -0.00 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3kro h GLY 214 CO 0.04 -0.18 0.18 -2.00 0.00 0.00 0.00 176.54 174.58 3kro h LEU 215 N -0.48 0.90 -0.92 3.11 5.85 -0.85 -2.81 115.31 120.11 3kro h LEU 215 Ca -0.05 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3kro h LEU 215 Cb 0.37 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3kro h LEU 215 CO 0.08 0.86 0.19 0.25 -0.34 0.00 0.00 178.44 179.47 3kro h LEU 216 N 0.93 0.91 -1.16 2.25 5.85 -0.60 -2.54 115.31 120.94 3kro h LEU 216 Ca 0.20 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3kro h LEU 216 Cb 0.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3kro h LEU 216 CO -0.01 0.86 0.57 0.15 -0.34 0.00 0.00 178.44 179.68 3kro h PHE 217 N 0.94 1.05 0.04 1.25 3.57 -0.14 -1.17 116.94 122.48 3kro h PHE 217 Ca 0.21 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.51 3kro h PHE 217 Cb 0.29 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3kro h PHE 217 CO 0.02 0.61 -1.01 0.37 -2.23 0.00 0.00 178.31 176.07 3kro h GLN 218 N 1.09 0.24 -0.10 1.11 5.75 -1.48 0.23 115.11 121.94 3kro h GLN 218 Ca 0.35 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3kro h GLN 218 Cb 0.03 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 3kro h GLN 218 CO -0.11 1.06 0.02 0.28 -2.65 0.00 0.00 178.83 177.44 3kro h VAL 219 N 0.11 1.21 -0.43 2.39 2.07 -1.21 0.22 116.25 120.60 3kro h VAL 219 Ca -0.07 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3kro h VAL 219 Cb 1.68 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3kro h VAL 219 CO 0.16 0.18 0.13 0.58 0.02 0.00 0.00 177.57 178.64 3kro h VAL 220 N -0.05 1.18 0.11 2.57 2.07 -1.22 -0.67 116.25 120.24 3kro h VAL 220 Ca 0.03 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3kro h VAL 220 Cb 0.27 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kro h VAL 220 CO 0.00 0.24 -0.05 -0.78 0.02 0.00 0.00 177.57 176.99 3kro h ASP 221 N 0.62 -0.13 -0.99 0.57 3.58 -0.40 -1.48 116.42 118.21 3kro h ASP 221 Ca 0.15 -0.10 0.16 0.00 0.42 0.00 0.00 57.03 57.66 3kro h ASP 221 Cb 0.20 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.19 3kro h ASP 221 CO -0.01 0.02 0.62 0.44 -2.88 0.00 0.00 179.24 177.43 3kro h ASP 222 N -0.26 0.82 -0.13 2.28 3.32 0.24 -0.52 116.42 122.16 3kro h ASP 222 Ca -0.02 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3kro h ASP 222 Cb 0.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kro h ASP 222 CO 0.02 0.37 -0.18 0.40 -1.72 0.00 0.00 179.24 178.14 3kro h ILE 223 N 0.84 1.36 -0.68 0.35 2.04 -1.02 -3.22 117.51 117.18 3kro h ILE 223 Ca 0.53 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3kro h ILE 223 Cb 0.73 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 3kro h ILE 223 CO -0.31 0.40 0.45 -0.07 0.00 0.00 0.00 178.15 178.62 3kro h LEU 224 N -0.04 0.77 -1.52 1.44 3.38 -0.78 -2.30 115.31 116.26 3kro h LEU 224 Ca 0.02 -0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.26 3kro h LEU 224 Cb 0.73 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 3kro h LEU 224 CO 0.04 0.55 0.71 -0.78 0.09 0.00 0.00 178.44 179.05 3kro h ASP 225 N 0.91 0.33 -0.02 -0.43 3.58 -1.12 0.30 116.42 119.97 3kro h ASP 225 Ca 0.25 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.77 3kro h ASP 225 Cb -0.09 0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.98 3kro h ASP 225 CO -0.06 0.05 -0.39 1.33 -2.88 0.00 0.00 179.24 177.29 3kro n VAL 226 N -4.53 0.00 -0.16 2.25 0.24 -0.91 -3.10 118.33 112.13 3kro n VAL 226 Ca 0.26 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3kro n VAL 226 Cb 0.98 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.61 3kro n VAL 226 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kro n THR 227 N 0.09 0.13 -4.31 3.34 -2.24 -0.54 -5.04 114.28 105.70 3kro n THR 227 Ca 0.09 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 3kro n THR 227 Cb 0.44 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.63 3kro n THR 227 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kro s LYS 228 N -0.13 1.21 0.47 -0.78 -0.14 -0.02 -5.04 119.74 115.31 3kro s LYS 228 Ca 0.00 -1.32 -0.07 0.00 -1.36 0.00 0.00 55.97 53.22 3kro s LYS 228 Cb 0.00 -1.31 -0.04 0.00 -1.68 0.00 0.00 37.83 34.80 3kro s LYS 228 CO 0.00 0.28 0.79 -1.54 -0.76 0.00 0.00 175.35 174.12 3kro s SER 229 N -2.42 6.33 0.26 2.83 1.04 -1.26 -4.82 113.70 115.66 3kro s SER 229 Ca 0.12 1.00 -0.02 0.00 0.48 0.00 0.00 55.95 57.53 3kro s SER 229 Cb -0.07 -2.27 0.43 0.00 0.10 0.00 0.00 66.02 64.21 3kro s SER 229 CO 0.06 -0.54 1.84 0.28 0.98 0.00 0.00 173.24 175.85 3kro h SER 230 N 0.48 0.86 -0.97 7.02 0.02 -1.83 0.10 113.55 119.23 3kro h SER 230 Ca -0.47 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3kro h SER 230 Cb 1.20 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 3kro h SER 230 CO 0.62 0.50 0.62 0.11 -1.14 0.00 0.00 176.83 177.55 3kro h LYS 231 N 0.97 1.29 0.02 3.45 1.57 -1.94 0.11 116.57 122.02 3kro h LYS 231 Ca 0.43 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3kro h LYS 231 Cb 0.33 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kro h LYS 231 CO -0.22 0.87 -0.01 0.93 -0.57 0.00 0.00 179.45 180.45 3kro h GLU 232 N 1.32 -0.02 0.00 3.15 5.08 -1.62 -3.20 114.58 119.29 3kro h GLU 232 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3kro h GLU 232 Cb -0.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3kro h GLU 232 CO -0.07 0.42 0.00 -0.07 -1.00 0.00 0.00 179.01 178.29 3kro h LEU 233 N -0.47 0.00 0.00 1.33 3.38 -0.59 -3.47 115.31 115.50 3kro h LEU 233 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kro h LEU 233 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kro h LEU 233 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3kro n GLY 234 N 0.02 0.52 3.34 0.83 0.00 0.35 -4.78 105.19 105.46 3kro n GLY 234 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3kro n GLY 234 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kro s LYS 235 N -0.33 1.15 -0.10 1.61 -2.85 -1.14 -0.59 119.74 117.49 3kro s LYS 235 Ca 0.00 -1.15 -0.29 0.00 -1.00 0.00 0.00 55.97 53.52 3kro s LYS 235 Cb 0.00 0.38 -0.07 0.00 -2.06 0.00 0.00 37.83 36.08 3kro s LYS 235 CO 0.00 -0.42 2.10 2.41 0.10 0.00 0.00 175.35 179.54 3kro n THR 236 N -0.21 0.54 -4.85 3.79 -1.04 -1.03 -4.32 114.28 107.17 3kro n THR 236 Ca -0.08 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.05 61.32 3kro n THR 236 Cb 0.63 -2.40 -0.13 0.00 -1.82 0.00 0.00 70.33 66.61 3kro n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kro s ALA 237 N 6.37 2.60 0.00 2.41 0.00 -1.26 -4.72 121.76 127.16 3kro s ALA 237 Ca 0.96 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3kro s ALA 237 Cb -0.41 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3kro s ALA 237 CO 0.40 0.56 0.00 0.41 0.00 0.00 0.00 175.76 177.13 3kro n GLY 238 N 2.04 0.66 0.07 0.00 0.00 -1.18 -4.67 105.19 102.12 3kro n GLY 238 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3kro n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kro n LYS 239 N -1.23 0.35 0.22 1.61 5.02 -1.26 -3.49 118.16 119.38 3kro n LYS 239 Ca 0.00 -0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.27 3kro n LYS 239 Cb 0.00 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.74 3kro n LYS 239 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3kro h ASP 240 N 0.36 0.00 0.00 4.39 3.32 -1.93 -2.95 116.42 119.61 3kro h ASP 240 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kro h ASP 240 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3kro h ASP 240 CO 0.00 0.00 -0.07 0.25 -1.72 0.00 0.00 179.24 177.70 3kro h LEU 241 N 0.00 0.00 -2.73 1.55 5.85 -1.96 -3.30 115.31 114.72 3kro h LEU 241 Ca 0.00 -0.82 -0.00 0.00 0.84 0.00 0.00 57.88 57.89 3kro h LEU 241 Cb 0.95 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3kro h LEU 241 CO 0.00 0.95 -0.01 -0.37 -0.34 0.00 0.00 178.44 178.67 3kro h VAL 242 N -1.00 0.11 -3.19 1.05 -1.51 -1.68 -3.41 116.25 106.61 3kro h VAL 242 Ca -0.02 -0.07 -0.57 0.00 -1.23 0.00 0.00 66.70 64.81 3kro h VAL 242 Cb 0.87 1.06 -0.03 0.00 -2.13 0.00 0.00 31.29 31.06 3kro h VAL 242 CO -0.01 0.01 -0.28 0.00 -1.23 0.00 0.00 177.57 176.06 3kro s ALA 243 N -4.18 3.75 -0.97 5.19 0.00 -1.11 -4.95 121.76 119.49 3kro s ALA 243 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3kro s ALA 243 Cb 0.13 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3kro s ALA 243 CO 0.45 0.62 0.39 -3.47 0.00 0.00 0.00 175.76 173.75 3kro n ASP 244 N -0.04 0.80 -4.39 0.00 2.03 -1.19 -4.87 116.55 108.89 3kro n ASP 244 Ca -0.02 -1.52 -0.34 0.00 0.52 0.00 0.00 54.79 53.43 3kro n ASP 244 Cb 0.52 -0.38 0.10 0.00 -0.72 0.00 0.00 41.12 40.64 3kro n ASP 244 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kro n LYS 245 N 0.13 -0.14 -3.44 -0.67 5.02 -1.17 -4.40 118.16 113.49 3kro n LYS 245 Ca 0.00 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3kro n LYS 245 Cb 0.20 -1.77 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 3kro n LYS 245 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kro s THR 246 N -2.26 5.25 0.35 -0.18 2.01 -1.26 -5.01 115.64 114.54 3kro s THR 246 Ca 0.57 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.88 3kro s THR 246 Cb -0.24 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 3kro s THR 246 CO 0.67 -0.38 0.25 0.42 -0.69 0.00 0.00 174.62 174.88 3kro s THR 247 N 1.68 0.12 -0.07 -0.82 -4.23 -1.26 -5.00 115.64 106.06 3kro s THR 247 Ca 0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 3kro s THR 247 Cb -0.20 -2.45 -0.29 0.00 1.34 0.00 0.00 72.50 70.89 3kro s THR 247 CO 0.09 0.00 0.61 1.88 -0.54 0.00 0.00 174.62 176.66 3kro h TYR 248 N 2.04 0.62 0.00 3.99 0.05 -1.93 -3.25 116.97 118.49 3kro h TYR 248 Ca -0.27 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.06 3kro h TYR 248 Cb 1.24 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3kro h TYR 248 CO 1.72 1.65 0.03 -2.30 -1.05 0.00 0.00 178.16 178.21 3kro n PRO 249 N -3.69 0.00 -0.01 4.88 -0.02 -1.26 -1.80 135.00 133.09 3kro n PRO 249 Ca -0.25 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 3kro n PRO 249 Cb 1.02 -1.53 -0.00 0.00 -0.02 0.00 0.00 33.50 32.97 3kro n PRO 249 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kro h LYS 250 N 0.00 0.00 0.00 -0.52 3.64 -1.88 -3.02 116.57 114.79 3kro h LYS 250 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3kro h LYS 250 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kro h LYS 250 CO 0.00 0.00 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.02 3kro h LEU 251 N -0.22 0.00 -0.13 5.20 3.38 -1.53 -3.34 115.31 118.67 3kro h LEU 251 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kro h LEU 251 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kro h LEU 251 CO 0.00 0.09 0.00 2.30 0.09 0.00 0.00 178.44 180.92 3kro n ILE 252 N -4.12 0.00 0.00 1.22 -5.35 -0.75 -5.13 119.36 105.23 3kro n ILE 252 Ca -0.03 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3kro n ILE 252 Cb 0.17 1.32 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 3kro n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kro n GLY 253 N 0.16 -1.38 0.32 3.28 0.00 -1.14 -4.06 105.19 102.38 3kro n GLY 253 Ca 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 3kro n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kro h VAL 254 N 0.00 0.00 -0.49 1.61 2.07 -1.86 -2.16 116.25 115.41 3kro h VAL 254 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3kro h VAL 254 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 3kro h VAL 254 CO 0.00 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 177.12 3kro h GLU 255 N -0.38 -0.02 0.00 1.57 4.39 -1.97 0.23 114.58 118.40 3kro h GLU 255 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kro h GLU 255 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3kro h GLU 255 CO -0.33 -0.01 0.00 0.87 -1.16 0.00 0.00 179.01 178.38 3kro h LYS 256 N -0.02 0.00 0.12 2.33 1.79 -1.67 -1.61 116.57 117.51 3kro h LYS 256 Ca 0.23 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.42 3kro h LYS 256 Cb 0.38 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.06 3kro h LYS 256 CO -0.51 0.00 -1.18 0.77 -1.08 0.00 0.00 179.45 177.45 3kro h SER 257 N 0.00 0.84 0.43 0.86 0.02 0.04 -2.78 113.55 112.96 3kro h SER 257 Ca 0.00 -0.83 -0.02 0.00 -0.84 0.00 0.00 61.79 60.10 3kro h SER 257 Cb 0.26 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3kro h SER 257 CO 0.00 1.58 -0.23 0.11 -1.14 0.00 0.00 176.83 177.15 3kro h LYS 258 N 0.21 -0.60 -0.84 3.45 1.79 -0.14 0.72 116.57 121.16 3kro h LYS 258 Ca -0.18 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3kro h LYS 258 Cb 1.87 0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 32.57 3kro h LYS 258 CO 0.23 -0.40 0.48 1.49 -1.08 0.00 0.00 179.45 180.16 3kro h GLU 259 N -0.62 0.75 -0.56 3.15 4.22 -1.50 -0.93 114.58 119.08 3kro h GLU 259 Ca -0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.34 3kro h GLU 259 Cb 0.49 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3kro h GLU 259 CO 0.07 0.49 0.35 0.35 -2.18 0.00 0.00 179.01 178.09 3kro h PHE 260 N 0.77 0.73 -0.76 0.92 3.57 -1.11 -1.60 116.94 119.46 3kro h PHE 260 Ca 0.42 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.93 3kro h PHE 260 Cb 0.43 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3kro h PHE 260 CO -0.06 0.49 0.50 0.00 -2.23 0.00 0.00 178.31 177.01 3kro h ALA 261 N 1.18 0.97 -0.31 2.41 0.00 0.35 -1.61 119.26 122.25 3kro h ALA 261 Ca 0.20 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kro h ALA 261 Cb -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3kro h ALA 261 CO -0.04 0.39 0.05 -0.44 0.00 0.00 0.00 179.25 179.21 3kro h ASP 262 N 1.03 -0.02 -0.65 0.00 3.32 -0.39 -0.30 116.42 119.42 3kro h ASP 262 Ca 0.28 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3kro h ASP 262 Cb -0.12 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3kro h ASP 262 CO -0.06 0.03 0.40 -0.09 -1.72 0.00 0.00 179.24 177.80 3kro h ARG 263 N 0.15 0.87 -0.13 3.56 2.43 -0.80 -0.40 114.38 120.06 3kro h ARG 263 Ca 0.15 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3kro h ARG 263 Cb 0.17 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kro h ARG 263 CO -0.20 0.61 0.03 -0.07 -1.51 0.00 0.00 179.97 178.83 3kro h LEU 264 N 0.88 0.02 -0.00 3.80 3.38 -0.80 0.58 115.31 123.17 3kro h LEU 264 Ca 0.23 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3kro h LEU 264 Cb -0.05 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kro h LEU 264 CO -0.05 0.03 -0.16 -1.13 0.09 0.00 0.00 178.44 177.23 3kro h ASN 265 N 0.09 -0.46 -0.12 -0.43 -1.24 -0.76 0.38 115.58 113.03 3kro h ASN 265 Ca 0.06 0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.18 3kro h ASN 265 Cb 0.04 0.19 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 3kro h ASN 265 CO -0.07 -0.22 -0.38 -0.09 -1.29 0.00 0.00 177.43 175.38 3kro h ARG 266 N -0.26 -0.45 -0.36 6.67 2.43 -0.37 0.71 114.38 122.75 3kro h ARG 266 Ca 0.05 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3kro h ARG 266 Cb 0.33 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3kro h ARG 266 CO -0.15 -0.30 0.25 1.49 -1.51 0.00 0.00 179.97 179.74 3kro h GLU 267 N -0.46 0.26 0.08 0.20 4.57 0.91 -1.66 114.58 118.48 3kro h GLU 267 Ca 0.08 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3kro h GLU 267 Cb 0.60 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3kro h GLU 267 CO -0.38 0.17 -0.04 0.00 -1.18 0.00 0.00 179.01 177.58 3kro h ALA 268 N 1.80 -0.11 0.00 2.92 0.00 0.19 -2.88 119.26 121.18 3kro h ALA 268 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kro h ALA 268 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kro h ALA 268 CO -0.03 -0.32 0.00 1.96 0.00 0.00 0.00 179.25 180.86 3kro h GLN 269 N -0.60 0.00 -0.03 0.00 4.20 -0.57 -1.22 115.11 116.89 3kro h GLN 269 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 3kro h GLN 269 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3kro h GLN 269 CO 0.02 0.00 -0.78 0.93 -0.67 0.00 0.00 178.83 178.33 3kro h GLU 270 N 0.00 0.23 0.00 1.46 5.08 -1.10 -2.67 114.58 117.58 3kro h GLU 270 Ca 0.00 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3kro h GLU 270 Cb 0.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kro h GLU 270 CO 0.00 0.90 -0.23 1.96 -1.00 0.00 0.00 179.01 180.64 3kro h GLN 271 N 0.14 0.00 0.00 2.33 1.08 -1.17 -2.52 115.11 114.98 3kro h GLN 271 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kro h GLN 271 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 3kro h GLN 271 CO 0.12 0.23 0.00 1.28 -0.95 0.00 0.00 178.83 179.51 3kro n LEU 272 N -3.65 0.61 0.00 1.46 4.77 -1.01 -2.55 117.00 116.63 3kro n LEU 272 Ca -0.01 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 3kro n LEU 272 Cb 0.35 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.13 3kro n LEU 272 CO 0.33 -0.42 0.53 0.18 -1.33 0.00 0.00 177.39 176.68 3kro n LEU 273 N -2.14 0.00 0.14 2.23 4.77 -0.95 -0.81 117.00 120.25 3kro n LEU 273 Ca 0.03 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 3kro n LEU 273 Cb 0.27 -0.23 0.20 0.00 -2.33 0.00 0.00 43.42 41.34 3kro n LEU 273 CO 0.22 -0.17 0.53 -0.74 -1.33 0.00 0.00 177.39 175.90 3kro h HIS 274 N 0.00 0.02 -1.95 -1.77 2.76 -1.72 -3.45 115.15 109.05 3kro h HIS 274 Ca 0.00 -0.01 -0.47 0.00 -2.20 0.00 0.00 60.37 57.69 3kro h HIS 274 Cb 0.06 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3kro h HIS 274 CO 0.00 0.59 -0.42 -0.06 -1.30 0.00 0.00 177.93 176.74 3kro s PHE 275 N -3.72 3.11 0.24 5.26 0.40 0.01 -5.05 117.98 118.24 3kro s PHE 275 Ca -0.02 -0.19 -0.31 0.00 -0.60 0.00 0.00 56.93 55.82 3kro s PHE 275 Cb 0.13 -1.76 -0.11 0.00 0.51 0.00 0.00 43.02 41.79 3kro s PHE 275 CO 0.76 0.21 1.58 -1.58 0.70 0.00 0.00 175.22 176.89 3kro s HIS 276 N -2.17 2.90 0.52 0.36 5.65 -1.26 -4.83 115.29 116.45 3kro s HIS 276 Ca 0.40 0.72 0.21 0.00 0.25 0.00 0.00 55.06 56.65 3kro s HIS 276 Cb -0.08 -4.00 1.32 0.00 -1.18 0.00 0.00 32.58 28.64 3kro s HIS 276 CO 0.28 -3.49 2.04 -1.00 -0.65 0.00 0.00 174.74 171.92 3kro h PRO 277 N 5.62 0.04 -0.46 2.88 0.13 -1.94 -1.38 132.00 136.89 3kro h PRO 277 Ca -0.45 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3kro h PRO 277 Cb 1.21 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3kro h PRO 277 CO 0.84 0.03 0.15 1.25 -0.23 0.00 0.00 178.00 180.04 3kro h HIS 278 N 0.04 0.73 -0.06 1.56 2.76 -2.01 -2.60 115.15 115.58 3kro h HIS 278 Ca 0.18 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.15 3kro h HIS 278 Cb 0.68 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3kro h HIS 278 CO -0.00 0.65 -0.56 0.00 -1.30 0.00 0.00 177.93 176.72 3kro h ARG 279 N 0.61 0.17 0.00 5.26 3.08 -1.67 -3.14 114.38 118.69 3kro h ARG 279 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kro h ARG 279 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3kro h ARG 279 CO -0.01 0.68 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 3kro n ALA 280 N -2.46 2.22 -0.28 0.04 0.00 -0.64 -4.15 120.51 115.24 3kro n ALA 280 Ca -0.02 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3kro n ALA 280 Cb 0.58 -1.45 0.15 0.00 0.00 0.00 0.00 19.45 18.72 3kro n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kro h ALA 281 N 2.68 0.71 -0.03 0.00 0.00 -1.41 0.11 119.26 121.32 3kro h ALA 281 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kro h ALA 281 Cb 0.59 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kro h ALA 281 CO 0.00 -0.43 0.02 -1.35 0.00 0.00 0.00 179.25 177.48 3kro h PRO 282 N 0.04 0.04 -0.02 0.00 0.11 -1.83 -0.17 132.00 130.17 3kro h PRO 282 Ca 0.43 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 3kro h PRO 282 Cb 0.73 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3kro h PRO 282 CO -0.79 0.08 -0.26 -0.07 -0.21 0.00 0.00 178.00 176.76 3kro h LEU 283 N -0.02 0.03 -0.64 2.35 3.38 -1.64 0.22 115.31 119.00 3kro h LEU 283 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kro h LEU 283 Cb 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kro h LEU 283 CO -0.00 0.29 0.11 0.40 0.09 0.00 0.00 178.44 179.33 3kro h ILE 284 N 0.03 1.26 0.03 1.22 2.04 -0.43 -1.83 117.51 119.83 3kro h ILE 284 Ca 0.00 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3kro h ILE 284 Cb 0.48 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3kro h ILE 284 CO 0.03 0.38 -0.01 0.00 0.00 0.00 0.00 178.15 178.55 3kro h ALA 285 N 1.04 -0.04 -0.67 1.87 0.00 0.10 -2.20 119.26 119.36 3kro h ALA 285 Ca 0.20 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3kro h ALA 285 Cb 0.42 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3kro h ALA 285 CO 0.01 -0.36 0.45 -0.07 0.00 0.00 0.00 179.25 179.29 3kro h LEU 286 N -0.36 0.32 -0.17 0.00 3.38 -0.53 0.79 115.31 118.73 3kro h LEU 286 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3kro h LEU 286 Cb 0.34 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kro h LEU 286 CO 0.01 0.18 -0.01 0.00 0.09 0.00 0.00 178.44 178.70 3kro h ALA 287 N 1.67 0.23 -0.52 1.53 0.00 -1.03 -0.20 119.26 120.94 3kro h ALA 287 Ca 0.32 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3kro h ALA 287 Cb 0.78 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kro h ALA 287 CO -0.09 -0.05 -0.10 -0.91 0.00 0.00 0.00 179.25 178.11 3kro h ASN 288 N 0.04 0.99 -0.39 0.00 2.35 -0.74 -2.03 115.58 115.82 3kro h ASN 288 Ca 0.05 -0.35 0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3kro h ASN 288 Cb 0.41 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3kro h ASN 288 CO 0.01 1.11 0.15 0.22 -1.65 0.00 0.00 177.43 177.27 3kro h TYR 289 N 0.86 0.27 -0.51 1.19 -0.00 -0.70 0.83 116.97 118.92 3kro h TYR 289 Ca 0.14 0.02 0.04 0.00 -0.00 0.00 0.00 58.73 58.92 3kro h TYR 289 Cb 0.66 -0.07 -0.03 0.00 -0.00 0.00 0.00 36.73 37.30 3kro h TYR 289 CO 0.05 0.12 0.34 0.82 -0.00 0.00 0.00 178.16 179.48 3kro h ILE 290 N 0.32 1.04 0.04 1.81 2.04 -0.70 0.22 117.51 122.28 3kro h ILE 290 Ca 0.17 -0.19 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 3kro h ILE 290 Cb 0.14 0.44 0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3kro h ILE 290 CO -0.16 0.10 -0.83 0.00 0.00 0.00 0.00 178.15 177.26 3kro h ALA 291 N 1.71 0.04 -0.43 1.87 0.00 -0.42 -3.39 119.26 118.64 3kro h ALA 291 Ca 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kro h ALA 291 Cb 0.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kro h ALA 291 CO -0.05 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.33 3kro n TYR 292 N -4.07 0.65 -0.88 0.00 4.02 0.28 -5.00 117.16 112.16 3kro n TYR 292 Ca -0.12 -0.53 -0.31 0.00 -0.01 0.00 0.00 57.90 56.94 3kro n TYR 292 Cb 0.79 -0.05 0.15 0.00 -0.02 0.00 0.00 39.34 40.21 3kro n TYR 292 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 3kro s ARG 293 N -1.17 1.17 -0.00 -0.72 1.70 0.72 -4.96 118.95 115.68 3kro s ARG 293 Ca 0.31 1.31 0.21 0.00 -0.47 0.00 0.00 55.73 57.10 3kro s ARG 293 Cb 0.17 -1.76 -0.20 0.00 -0.57 0.00 0.00 34.95 32.59 3kro s ARG 293 CO 0.19 -2.45 0.87 -0.25 -1.08 0.00 0.00 175.30 172.59 3kro n ASP 294 N -4.09 0.84 0.00 -2.89 9.92 -1.26 -5.07 116.55 114.00 3kro n ASP 294 Ca 0.10 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.54 3kro n ASP 294 Cb 0.53 1.09 0.00 0.00 -0.64 0.00 0.00 41.12 42.09 3kro n ASP 294 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87