#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 3.82 -0.97 3.17 0.40 -1.26 -4.54 117.98 118.59 3kro s PHE 2 Ca 0.00 1.35 -0.11 0.00 -0.60 0.00 0.00 56.93 57.58 3kro s PHE 2 Cb 0.00 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 3kro s PHE 2 CO 0.00 0.55 0.75 -3.47 0.70 0.00 0.00 175.22 173.75 3kro n ASP 3 N 1.79 -6.01 -0.13 1.36 2.03 -1.26 -4.90 116.55 109.42 3kro n ASP 3 Ca -0.09 -0.74 -0.09 0.00 0.52 0.00 0.00 54.79 54.39 3kro n ASP 3 Cb 0.50 -3.74 0.05 0.00 -0.72 0.00 0.00 41.12 37.21 3kro n ASP 3 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3kro h PHE 4 N -0.94 1.03 -0.57 -0.67 3.57 -2.00 -2.22 116.94 115.13 3kro h PHE 4 Ca -0.49 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 60.78 3kro h PHE 4 Cb 1.27 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3kro h PHE 4 CO 0.28 1.01 0.34 -0.44 -2.23 0.00 0.00 178.31 177.26 3kro h ASP 5 N 0.80 0.69 -0.83 0.41 3.32 -1.98 -1.36 116.42 117.48 3kro h ASP 5 Ca 0.11 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3kro h ASP 5 Cb 0.72 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3kro h ASP 5 CO 0.06 0.56 0.40 1.23 -1.72 0.00 0.00 179.24 179.77 3kro h GLY 6 N 0.77 1.28 0.96 2.75 0.00 -1.90 -0.21 103.07 106.72 3kro h GLY 6 Ca 0.20 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3kro h GLY 6 CO -0.04 0.60 0.16 -1.82 0.00 0.00 0.00 176.54 175.45 3kro h TYR 7 N 1.19 0.71 -0.65 5.60 3.20 -0.98 -0.67 116.97 125.36 3kro h TYR 7 Ca 0.29 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3kro h TYR 7 Cb 0.11 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3kro h TYR 7 CO 0.01 0.62 0.07 0.52 -1.64 0.00 0.00 178.16 177.75 3kro h MET 8 N 0.59 1.10 -0.50 1.82 2.86 -0.94 -2.06 114.93 117.79 3kro h MET 8 Ca 0.15 -0.31 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 3kro h MET 8 Cb 0.23 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3kro h MET 8 CO -0.01 1.03 -0.08 1.25 1.06 0.00 0.00 176.91 180.16 3kro h LEU 9 N 1.02 0.89 -0.35 1.22 5.85 -0.76 0.12 115.31 123.30 3kro h LEU 9 Ca 0.19 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kro h LEU 9 Cb 0.49 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3kro h LEU 9 CO 0.02 1.00 0.05 0.03 -0.34 0.00 0.00 178.44 179.20 3kro h ARG 10 N 0.82 0.58 -0.67 1.25 3.08 -0.91 -1.36 114.38 117.16 3kro h ARG 10 Ca 0.14 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kro h ARG 10 Cb 0.60 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3kro h ARG 10 CO 0.04 0.66 0.37 0.87 -1.07 0.00 0.00 179.97 180.85 3kro h LYS 11 N 0.41 0.93 -0.21 0.04 1.79 -1.15 -2.08 116.57 116.30 3kro h LYS 11 Ca 0.10 -0.11 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3kro h LYS 11 Cb 0.37 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3kro h LYS 11 CO 0.01 0.70 -0.11 0.00 -1.08 0.00 0.00 179.45 178.96 3kro h ALA 12 N 1.19 1.41 0.04 3.86 0.00 -0.57 -1.37 119.26 123.81 3kro h ALA 12 Ca 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kro h ALA 12 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kro h ALA 12 CO -0.04 0.41 -0.02 -0.22 0.00 0.00 0.00 179.25 179.38 3kro h LYS 13 N 0.33 -0.05 -0.59 0.00 3.11 -0.91 0.58 116.57 119.03 3kro h LYS 13 Ca 0.07 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.94 3kro h LYS 13 Cb 0.40 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 3kro h LYS 13 CO 0.02 0.18 0.34 0.77 -2.81 0.00 0.00 179.45 177.96 3kro h SER 14 N -0.27 0.54 -0.22 4.20 0.02 -1.15 -1.31 113.55 115.36 3kro h SER 14 Ca -0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3kro h SER 14 Cb 0.25 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3kro h SER 14 CO 0.01 0.37 0.07 0.58 -1.14 0.00 0.00 176.83 176.72 3kro h VAL 15 N 0.67 1.19 -0.97 2.27 2.07 -1.10 -1.63 116.25 118.75 3kro h VAL 15 Ca 0.25 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.25 3kro h VAL 15 Cb 0.07 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3kro h VAL 15 CO -0.12 0.19 0.62 0.78 0.02 0.00 0.00 177.57 179.06 3kro h ASN 16 N 0.19 0.93 -0.44 0.57 2.35 0.50 0.27 115.58 119.94 3kro h ASN 16 Ca 0.07 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 3kro h ASN 16 Cb 0.24 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3kro h ASN 16 CO -0.00 0.55 -0.10 0.50 -1.65 0.00 0.00 177.43 176.73 3kro h LYS 17 N 1.03 0.85 -0.26 0.81 3.64 -1.07 -1.93 116.57 119.64 3kro h LYS 17 Ca 0.45 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3kro h LYS 17 Cb 0.36 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3kro h LYS 17 CO -0.21 0.95 -0.35 0.00 -2.27 0.00 0.00 179.45 177.58 3kro h ALA 18 N 0.87 0.92 0.29 5.00 0.00 -0.30 -2.02 119.26 124.02 3kro h ALA 18 Ca 0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kro h ALA 18 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kro h ALA 18 CO 0.04 0.62 -0.14 -0.07 0.00 0.00 0.00 179.25 179.70 3kro h LEU 19 N 0.48 -0.33 -0.69 0.00 3.38 -0.23 -0.38 115.31 117.53 3kro h LEU 19 Ca 0.05 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.15 3kro h LEU 19 Cb 0.83 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 3kro h LEU 19 CO 0.07 -0.21 0.15 -0.08 0.09 0.00 0.00 178.44 178.46 3kro h GLU 20 N -0.43 0.25 -0.06 1.13 4.57 -1.28 -0.16 114.58 118.60 3kro h GLU 20 Ca -0.04 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 3kro h GLU 20 Cb 0.32 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3kro h GLU 20 CO 0.07 0.16 -0.51 0.00 -1.18 0.00 0.00 179.01 177.55 3kro h ALA 21 N 1.57 1.03 0.00 2.92 0.00 -1.13 -3.26 119.26 120.39 3kro h ALA 21 Ca 0.38 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3kro h ALA 21 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kro h ALA 21 CO -0.48 0.66 -0.55 0.00 0.00 0.00 0.00 179.25 178.88 3kro h ALA 22 N 1.34 0.70 -3.03 0.00 0.00 0.71 -3.39 119.26 115.59 3kro h ALA 22 Ca 0.00 -0.50 -0.62 0.00 0.00 0.00 0.00 54.91 53.79 3kro h ALA 22 Cb 0.95 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.25 3kro h ALA 22 CO 0.08 0.69 -0.70 0.08 0.00 0.00 0.00 179.25 179.40 3kro s VAL 23 N -3.07 1.93 0.38 0.00 1.01 -0.68 -5.09 120.40 114.88 3kro s VAL 23 Ca 0.03 -3.19 -0.07 0.00 0.00 0.00 0.00 61.98 58.75 3kro s VAL 23 Cb 0.09 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3kro s VAL 23 CO 0.74 -0.94 0.69 -1.10 0.00 0.00 0.00 175.10 174.49 3kro s GLN 24 N -0.30 3.66 0.26 2.72 -1.52 -1.26 -4.79 119.66 118.43 3kro s GLN 24 Ca 0.21 0.21 -0.30 0.00 -1.95 0.00 0.00 55.36 53.53 3kro s GLN 24 Cb -0.16 -2.48 -0.10 0.00 -0.22 0.00 0.00 33.01 30.05 3kro s GLN 24 CO -0.07 0.01 1.37 -1.64 -0.25 0.00 0.00 175.29 174.72 3kro s MET 25 N -4.00 4.32 0.17 2.91 -1.94 -1.26 -4.95 119.30 114.55 3kro s MET 25 Ca 0.47 2.22 -0.24 0.00 -1.71 0.00 0.00 55.69 56.43 3kro s MET 25 Cb -0.10 -3.12 0.06 0.00 2.01 0.00 0.00 34.83 33.67 3kro s MET 25 CO 0.34 -0.32 0.91 -1.59 -0.01 0.00 0.00 175.02 174.35 3kro s LYS 26 N -0.69 1.31 0.21 2.03 -2.85 -1.26 -5.11 119.74 113.38 3kro s LYS 26 Ca 0.56 -0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 3kro s LYS 26 Cb -0.40 0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 3kro s LYS 26 CO 0.45 -0.60 1.28 -1.21 0.10 0.00 0.00 175.35 175.37 3kro s GLU 27 N -3.41 4.41 -0.10 1.78 0.41 -1.26 -2.45 118.70 118.08 3kro s GLU 27 Ca 0.12 2.03 -0.30 0.00 -0.41 0.00 0.00 54.97 56.41 3kro s GLU 27 Cb -0.02 -3.19 -0.02 0.00 -1.78 0.00 0.00 34.13 29.11 3kro s GLU 27 CO 0.03 -0.20 1.20 -2.14 -0.49 0.00 0.00 175.26 173.66 3kro s PRO 28 N -0.37 4.32 0.26 0.39 0.02 -1.26 -5.02 135.00 133.34 3kro s PRO 28 Ca 0.55 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 3kro s PRO 28 Cb -0.36 -3.62 0.44 0.00 0.02 0.00 0.00 34.50 30.98 3kro s PRO 28 CO 0.40 -0.52 1.83 -0.07 -0.33 0.00 0.00 177.00 178.30 3kro h LEU 29 N 8.69 0.83 -0.82 -5.54 3.38 -1.92 -2.44 115.31 117.48 3kro h LEU 29 Ca -0.31 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3kro h LEU 29 Cb 1.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3kro h LEU 29 CO 0.91 0.47 0.07 0.11 0.09 0.00 0.00 178.44 180.09 3kro h LYS 30 N 0.93 0.95 -0.10 1.13 1.57 -1.99 0.49 116.57 119.56 3kro h LYS 30 Ca 0.43 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3kro h LYS 30 Cb 0.36 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kro h LYS 30 CO -0.23 0.90 0.04 0.82 -0.57 0.00 0.00 179.45 180.40 3kro h ILE 31 N 0.89 1.13 -0.17 1.86 1.08 -1.79 -1.95 117.51 118.57 3kro h ILE 31 Ca 0.18 -0.40 -0.15 0.00 -0.39 0.00 0.00 64.86 64.10 3kro h ILE 31 Cb 0.43 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 3kro h ILE 31 CO 0.01 0.12 -0.51 0.45 -0.69 0.00 0.00 178.15 177.53 3kro h HIS 32 N 0.01 0.59 -0.75 1.37 3.86 -1.20 -0.75 115.15 118.28 3kro h HIS 32 Ca 0.03 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 3kro h HIS 32 Cb 0.15 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 3kro h HIS 32 CO -0.02 0.89 0.41 1.49 0.86 0.00 0.00 177.93 181.56 3kro h GLU 33 N 0.37 1.04 -0.48 2.45 4.81 0.06 -2.11 114.58 120.71 3kro h GLU 33 Ca 0.01 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 3kro h GLU 33 Cb 1.03 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3kro h GLU 33 CO 0.09 0.77 0.04 1.03 -0.73 0.00 0.00 179.01 180.22 3kro h SER 34 N 1.03 0.80 -0.20 1.04 0.87 -0.98 -0.62 113.55 115.49 3kro h SER 34 Ca 0.26 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3kro h SER 34 Cb 0.04 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 3kro h SER 34 CO -0.04 0.89 -0.04 0.24 -0.53 0.00 0.00 176.83 177.34 3kro h MET 35 N 0.69 0.01 -0.14 2.24 2.86 -0.87 -2.93 114.93 116.80 3kro h MET 35 Ca 0.14 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3kro h MET 35 Cb 0.45 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3kro h MET 35 CO 0.02 0.01 -0.36 0.00 1.06 0.00 0.00 176.91 177.63 3kro h ARG 36 N 0.01 0.29 -0.33 1.72 3.08 -1.20 -1.57 114.38 116.39 3kro h ARG 36 Ca 0.10 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3kro h ARG 36 Cb 0.14 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 3kro h ARG 36 CO -0.20 0.62 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.23 3kro h TYR 37 N 0.25 -0.45 0.17 3.04 5.03 -0.92 0.26 116.97 124.35 3kro h TYR 37 Ca 0.03 0.04 -0.33 0.00 2.58 0.00 0.00 58.73 61.05 3kro h TYR 37 Cb 0.76 0.25 0.01 0.00 1.55 0.00 0.00 36.73 39.30 3kro h TYR 37 CO 0.02 -0.26 -1.62 0.77 -1.32 0.00 0.00 178.16 175.75 3kro h SER 38 N -0.13 0.56 -0.35 -2.11 0.02 -1.53 -3.30 113.55 106.71 3kro h SER 38 Ca 0.17 -0.77 -0.11 0.00 -0.84 0.00 0.00 61.79 60.24 3kro h SER 38 Cb 0.39 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3kro h SER 38 CO -0.42 1.64 -0.18 0.25 -1.14 0.00 0.00 176.83 176.98 3kro h LEU 39 N 0.10 0.83 -3.26 5.07 5.85 -1.10 -3.23 115.31 119.57 3kro h LEU 39 Ca -0.29 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3kro h LEU 39 Cb 2.08 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3kro h LEU 39 CO 0.19 1.00 0.00 0.18 -0.34 0.00 0.00 178.44 179.47 3kro n LEU 40 N -4.13 4.92 0.00 2.25 4.77 0.89 -4.41 117.00 121.30 3kro n LEU 40 Ca 0.01 -2.61 0.09 0.00 -0.03 0.00 0.00 56.01 53.47 3kro n LEU 40 Cb 0.42 -0.59 0.46 0.00 -2.33 0.00 0.00 43.42 41.38 3kro n LEU 40 CO 0.44 0.75 0.80 0.00 -1.33 0.00 0.00 177.39 178.06 3kro n ALA 41 N 0.84 1.98 0.00 -1.18 0.00 -1.22 -4.99 120.51 115.94 3kro n ALA 41 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3kro n ALA 41 Cb 0.96 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3kro n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kro n GLY 42 N 0.40 -0.62 0.00 0.00 0.00 -1.26 -5.13 105.19 98.58 3kro n GLY 42 Ca 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3kro n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 43 N 0.02 -1.44 0.24 -0.02 0.00 -1.26 -5.00 105.19 97.72 3kro n GLY 43 Ca 0.00 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.11 3kro n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kro h LYS 44 N 0.00 0.00 -5.29 1.61 1.57 -2.00 -3.47 116.57 108.99 3kro h LYS 44 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 3kro h LYS 44 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.37 3kro h LYS 44 CO 0.00 0.10 -0.65 0.54 -0.57 0.00 0.00 179.45 178.87 3kro n ARG 45 N -3.18 -5.98 -0.29 3.15 5.12 -1.26 -4.71 116.66 109.51 3kro n ARG 45 Ca 0.01 0.81 -0.00 0.00 -1.93 0.00 0.00 57.85 56.74 3kro n ARG 45 Cb 0.43 -5.73 0.13 0.00 -1.16 0.00 0.00 32.46 26.12 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 -1.93 1.03 0.06 1.55 2.07 -1.98 -1.84 116.25 115.22 3kro h VAL 46 Ca -0.54 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3kro h VAL 46 Cb 1.36 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kro h VAL 46 CO 0.58 0.16 -0.03 0.03 0.02 0.00 0.00 177.57 178.33 3kro h ARG 47 N 0.89 -0.08 -0.82 1.57 3.08 -1.95 0.13 114.38 117.21 3kro h ARG 47 Ca 0.35 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.43 3kro h ARG 47 Cb 0.16 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3kro h ARG 47 CO -0.17 -0.01 0.53 -1.35 -1.07 0.00 0.00 179.97 177.89 3kro h PRO 48 N -0.12 1.01 -0.41 0.04 0.11 -1.69 -1.79 132.00 129.14 3kro h PRO 48 Ca -0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3kro h PRO 48 Cb 0.10 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3kro h PRO 48 CO 0.01 0.67 0.23 1.98 -0.21 0.00 0.00 178.00 180.68 3kro h MET 49 N 1.04 0.56 -0.77 1.05 1.85 -0.90 -1.11 114.93 116.65 3kro h MET 49 Ca 0.32 -0.06 0.08 0.00 -0.61 0.00 0.00 59.70 59.43 3kro h MET 49 Cb -0.02 -0.11 -0.07 0.00 0.43 0.00 0.00 31.60 31.83 3kro h MET 49 CO -0.10 0.44 0.44 -0.07 -0.40 0.00 0.00 176.91 177.22 3kro h LEU 50 N 0.53 0.64 0.32 3.39 3.38 -0.16 0.23 115.31 123.65 3kro h LEU 50 Ca 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3kro h LEU 50 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kro h LEU 50 CO -0.02 0.38 -0.16 0.00 0.09 0.00 0.00 178.44 178.73 3kro h ILE 52 N -0.57 0.85 -0.88 0.00 2.04 -0.88 0.13 117.51 118.20 3kro h ILE 52 Ca -0.04 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3kro h ILE 52 Cb 0.42 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3kro h ILE 52 CO 0.07 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.76 3kro h ALA 53 N 0.60 1.26 -0.37 1.87 0.00 -0.56 0.22 119.26 122.27 3kro h ALA 53 Ca -0.02 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3kro h ALA 53 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kro h ALA 53 CO 0.04 0.17 -0.32 0.00 0.00 0.00 0.00 179.25 179.13 3kro h ALA 54 N 1.47 0.73 0.05 0.00 0.00 -0.45 0.11 119.26 121.17 3kro h ALA 54 Ca 0.42 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kro h ALA 54 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kro h ALA 54 CO -0.24 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3kro h GLU 56 N -0.30 0.05 -0.91 0.00 5.08 -0.51 -1.38 114.58 116.61 3kro h GLU 56 Ca -0.01 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3kro h GLU 56 Cb 0.27 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3kro h GLU 56 CO 0.01 0.34 0.59 1.25 -1.00 0.00 0.00 179.01 180.20 3kro h LEU 57 N 0.05 0.81 -2.78 1.33 5.85 -0.67 -1.72 115.31 118.18 3kro h LEU 57 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kro h LEU 57 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3kro h LEU 57 CO 0.04 0.47 0.00 1.33 -0.34 0.00 0.00 178.44 179.94 3kro n VAL 58 N -4.54 1.80 -0.00 1.05 0.24 -1.06 -4.71 118.33 111.11 3kro n VAL 58 Ca 0.16 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 3kro n VAL 58 Cb 0.33 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.75 0.31 3.54 7.63 0.00 -0.65 -4.67 105.19 112.10 3kro n GLY 59 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3kro n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 60 N -2.00 -1.91 3.46 -0.02 0.00 -0.55 -4.95 105.19 99.23 3kro n GLY 60 Ca 0.00 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 3kro n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kro s ASP 61 N -5.17 3.45 0.39 1.61 1.47 -1.26 -4.07 116.67 113.09 3kro s ASP 61 Ca 0.70 -1.06 0.09 0.00 1.18 0.00 0.00 52.55 53.46 3kro s ASP 61 Cb -0.03 -0.28 0.86 0.00 -0.34 0.00 0.00 42.92 43.12 3kro s ASP 61 CO 0.51 -0.04 1.97 -0.08 0.68 0.00 0.00 175.17 178.20 3kro h GLU 62 N 2.27 0.60 -0.43 2.11 4.81 -1.95 -2.66 114.58 119.32 3kro h GLU 62 Ca -0.40 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 3kro h GLU 62 Cb 1.25 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3kro h GLU 62 CO 0.62 0.40 0.21 1.03 -0.73 0.00 0.00 179.01 180.54 3kro h SER 63 N 0.62 0.31 0.13 1.04 0.87 -1.98 -1.45 113.55 113.08 3kro h SER 63 Ca 0.30 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 3kro h SER 63 Cb 0.37 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3kro h SER 63 CO -0.10 0.22 -0.20 0.74 -0.53 0.00 0.00 176.83 176.96 3kro h THR 64 N 0.43 1.19 -0.00 2.23 2.02 -1.70 -3.10 112.91 113.98 3kro h THR 64 Ca 0.19 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3kro h THR 64 Cb 0.10 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3kro h THR 64 CO -0.13 0.27 -0.42 0.00 0.37 0.00 0.00 175.52 175.60 3kro n ALA 65 N -2.49 3.41 -0.21 6.16 0.00 -0.86 -4.49 120.51 122.03 3kro n ALA 65 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 3kro n ALA 65 Cb 0.30 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 0.60 0.85 -0.32 0.00 4.05 -1.20 0.11 114.93 119.02 3kro h MET 66 Ca 0.00 -0.14 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 3kro h MET 66 Cb 0.51 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 3kro h MET 66 CO 0.00 0.72 0.14 -1.35 0.23 0.00 0.00 176.91 176.65 3kro h PRO 67 N 0.80 0.29 -0.83 0.39 0.11 -1.80 0.11 132.00 131.06 3kro h PRO 67 Ca 0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3kro h PRO 67 Cb 0.17 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 3kro h PRO 67 CO -0.02 0.19 0.48 0.00 -0.21 0.00 0.00 178.00 178.44 3kro h ALA 68 N 1.18 1.07 -0.97 -0.75 0.00 -1.79 0.14 119.26 118.14 3kro h ALA 68 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kro h ALA 68 Cb 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3kro h ALA 68 CO -0.11 0.55 0.62 0.00 0.00 0.00 0.00 179.25 180.31 3kro h ALA 69 N 1.26 1.24 -0.23 0.00 0.00 0.21 -1.06 119.26 120.67 3kro h ALA 69 Ca 0.30 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 3kro h ALA 69 Cb -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3kro h ALA 69 CO -0.05 0.66 -0.46 0.00 0.00 0.00 0.00 179.25 179.40 3kro h ALA 71 N 1.01 0.69 -0.11 0.00 0.00 0.22 -0.27 119.26 120.79 3kro h ALA 71 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3kro h ALA 71 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3kro h ALA 71 CO 0.09 0.40 -0.19 -0.39 0.00 0.00 0.00 179.25 179.16 3kro h VAL 72 N 0.73 1.20 -0.10 0.00 -1.51 -1.19 -0.32 116.25 115.06 3kro h VAL 72 Ca 0.16 -0.90 -0.15 0.00 -1.23 0.00 0.00 66.70 64.58 3kro h VAL 72 Cb 0.37 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 3kro h VAL 72 CO 0.01 0.27 -0.60 -0.08 -1.23 0.00 0.00 177.57 175.94 3kro h GLU 73 N 0.18 0.34 -0.22 5.19 4.57 -1.39 -1.35 114.58 121.90 3kro h GLU 73 Ca 0.03 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3kro h GLU 73 Cb 0.45 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3kro h GLU 73 CO 0.03 0.84 0.12 0.52 -1.18 0.00 0.00 179.01 179.34 3kro h MET 74 N 0.25 0.31 -0.16 1.92 2.86 0.09 0.16 114.93 120.36 3kro h MET 74 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3kro h MET 74 Cb 1.12 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3kro h MET 74 CO 0.10 0.29 0.05 0.82 1.06 0.00 0.00 176.91 179.23 3kro h ILE 75 N 0.25 1.18 -0.44 -1.22 1.08 -1.04 -0.95 117.51 116.38 3kro h ILE 75 Ca 0.08 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 3kro h ILE 75 Cb 0.07 1.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 3kro h ILE 75 CO -0.01 0.17 0.14 -0.74 -0.69 0.00 0.00 178.15 177.02 3kro h HIS 76 N 0.08 0.25 -0.16 1.37 2.76 -1.11 0.18 115.15 118.52 3kro h HIS 76 Ca 0.05 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3kro h HIS 76 Cb 0.23 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3kro h HIS 76 CO -0.00 0.08 0.07 1.15 -1.30 0.00 0.00 177.93 177.93 3kro h THR 77 N 0.30 0.98 0.00 6.26 2.02 -0.47 -2.09 112.91 119.92 3kro h THR 77 Ca 0.21 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3kro h THR 77 Cb 0.22 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3kro h THR 77 CO -0.23 0.03 -0.14 0.00 0.37 0.00 0.00 175.52 175.55 3kro h MET 78 N 0.16 0.00 -0.41 6.66 -0.00 -0.69 -1.76 114.93 118.89 3kro h MET 78 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.68 3kro h MET 78 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.61 3kro h MET 78 CO -0.06 0.14 -0.10 0.66 -0.00 0.00 0.00 176.91 177.56 3kro h SER 79 N 0.00 0.71 0.43 -0.10 4.64 -0.01 -1.94 113.55 117.29 3kro h SER 79 Ca -0.00 -0.20 -0.21 0.00 -0.47 0.00 0.00 61.79 60.91 3kro h SER 79 Cb 0.71 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3kro h SER 79 CO 0.02 0.84 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.87 3kro h LEU 80 N 0.66 0.40 -0.91 5.97 3.38 -1.04 -1.12 115.31 122.66 3kro h LEU 80 Ca 0.12 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3kro h LEU 80 Cb 0.55 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3kro h LEU 80 CO 0.03 1.10 0.17 0.24 0.09 0.00 0.00 178.44 180.08 3kro h MET 81 N 0.18 0.97 0.01 1.13 2.86 -1.17 -1.15 114.93 117.76 3kro h MET 81 Ca -0.06 -0.20 -0.26 0.00 -2.06 0.00 0.00 59.70 57.12 3kro h MET 81 Cb 1.50 -0.14 0.02 0.00 0.06 0.00 0.00 31.60 33.03 3kro h MET 81 CO 0.14 0.85 -1.05 0.45 1.06 0.00 0.00 176.91 178.36 3kro h HIS 82 N 0.93 0.98 -0.59 -0.22 3.86 -1.36 -3.26 115.15 115.50 3kro h HIS 82 Ca 0.20 -0.54 -0.03 0.00 -1.16 0.00 0.00 60.37 58.84 3kro h HIS 82 Cb 0.30 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3kro h HIS 82 CO 0.02 1.38 0.23 0.22 0.86 0.00 0.00 177.93 180.64 3kro h ASP 83 N 0.36 0.78 0.63 2.45 3.58 -0.99 -2.33 116.42 120.90 3kro h ASP 83 Ca -0.13 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3kro h ASP 83 Cb 1.70 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.55 3kro h ASP 83 CO 0.20 0.70 0.00 0.47 -2.88 0.00 0.00 179.24 177.73 3kro n ASP 84 N -4.32 0.16 -4.67 2.28 8.00 -0.45 -1.49 116.55 116.05 3kro n ASP 84 Ca 0.05 0.54 -0.37 0.00 0.71 0.00 0.00 54.79 55.71 3kro n ASP 84 Cb 0.17 -0.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.76 3kro n ASP 84 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kro n LEU 85 N -1.67 4.92 -0.16 0.64 4.77 -0.88 -0.74 117.00 123.88 3kro n LEU 85 Ca 0.04 0.80 -0.03 0.00 -0.03 0.00 0.00 56.01 56.79 3kro n LEU 85 Cb 0.21 -1.48 0.05 0.00 -2.33 0.00 0.00 43.42 39.87 3kro n LEU 85 CO 0.17 -1.44 0.80 -0.65 -1.33 0.00 0.00 177.39 174.93 3kro h PRO 86 N 0.43 0.04 0.00 3.23 0.11 -1.89 0.52 132.00 134.44 3kro h PRO 86 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kro h PRO 86 Cb 1.35 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3kro h PRO 86 CO 0.51 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 3kro n MET 88 N -2.89 0.00 0.00 0.00 2.81 0.15 -4.87 117.12 112.32 3kro n MET 88 Ca -0.01 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.01 3kro n MET 88 Cb 0.17 0.00 0.77 0.00 -0.71 0.00 0.00 33.22 33.45 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 0.00 -4.09 7.83 8.00 -0.55 -4.93 116.55 122.81 3kro n ASP 89 Ca 0.00 -1.10 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 3kro n ASP 89 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.92 -3.25 -4.85 -2.24 5.15 0.46 -4.94 115.26 104.66 3kro n ASN 90 Ca 0.20 -1.22 -0.36 0.00 -0.60 0.00 0.00 54.58 52.60 3kro n ASN 90 Cb 0.09 -1.46 -0.06 0.00 -0.53 0.00 0.00 39.78 37.82 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 -3.71 6.73 -0.02 1.20 -0.00 0.08 -4.89 116.67 116.05 3kro s ASP 91 Ca 0.41 0.90 0.19 0.00 -0.00 0.00 0.00 52.55 54.04 3kro s ASP 91 Cb -0.23 -2.22 -0.28 0.00 -0.00 0.00 0.00 42.92 40.19 3kro s ASP 91 CO 0.91 0.23 0.46 0.47 -0.00 0.00 0.00 175.17 177.24 3kro n ASP 92 N 1.27 0.72 -4.27 0.27 10.43 -1.26 -4.64 116.55 119.07 3kro n ASP 92 Ca -0.10 -0.13 -0.21 0.00 2.57 0.00 0.00 54.79 56.92 3kro n ASP 92 Cb 0.52 1.74 -0.10 0.00 1.84 0.00 0.00 41.12 45.12 3kro n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kro s LEU 93 N -4.10 1.92 -0.30 0.64 1.43 -1.26 -1.46 118.68 115.55 3kro s LEU 93 Ca -0.05 -1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 51.39 3kro s LEU 93 Cb 0.12 -0.13 0.18 0.00 0.03 0.00 0.00 46.19 46.40 3kro s LEU 93 CO 0.78 -0.76 1.21 -0.60 0.23 0.00 0.00 176.35 177.21 3kro s ARG 94 N -3.87 0.08 -1.51 1.70 3.52 -0.87 -4.67 118.95 113.33 3kro s ARG 94 Ca 0.34 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 3kro s ARG 94 Cb 0.06 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3kro s ARG 94 CO 0.15 -0.05 0.00 0.54 -0.81 0.00 0.00 175.30 175.13 3kro n ARG 95 N 4.98 -1.34 0.00 5.12 1.74 -1.26 -2.50 116.66 123.39 3kro n ARG 95 Ca -0.08 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 3kro n ARG 95 Cb 0.55 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 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 -1.00 2.94 3.90 -0.13 0.00 -1.26 -5.02 105.19 104.63 3kro n GLY 96 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3kro n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kro s LYS 97 N -0.15 3.54 0.44 1.61 3.01 -1.04 -5.00 119.74 122.15 3kro s LYS 97 Ca 0.00 -0.23 -0.22 0.00 -1.01 0.00 0.00 55.97 54.52 3kro s LYS 97 Cb 0.00 -2.95 -0.12 0.00 -1.01 0.00 0.00 37.83 33.75 3kro s LYS 97 CO 0.00 0.54 0.48 -2.30 0.51 0.00 0.00 175.35 174.59 3kro n PRO 98 N 0.28 0.50 -1.58 -1.68 -0.02 -1.26 -2.05 135.00 129.19 3kro n PRO 98 Ca -0.04 0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.31 3kro n PRO 98 Cb 0.52 -1.47 0.06 0.00 -0.02 0.00 0.00 33.50 32.58 3kro n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kro s THR 99 N -1.54 3.74 0.17 3.45 -4.23 -0.53 -4.74 115.64 111.96 3kro s THR 99 Ca 0.63 0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 61.56 3kro s THR 99 Cb -0.58 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.02 3kro s THR 99 CO 0.58 -0.74 1.71 -1.13 -0.54 0.00 0.00 174.62 174.51 3kro h ASN 100 N -0.82 -0.06 0.69 3.99 -0.73 -1.91 -1.70 115.58 115.05 3kro h ASN 100 Ca -0.45 0.08 0.00 0.00 1.87 0.00 0.00 56.30 57.81 3kro h ASN 100 Cb 1.23 0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.95 3kro h ASN 100 CO 0.58 0.01 0.00 0.00 -0.37 0.00 0.00 177.43 177.64 3kro n HIS 101 N -5.14 0.61 0.06 0.67 1.44 -1.26 -1.03 115.22 110.57 3kro n HIS 101 Ca 0.04 0.24 -0.13 0.00 -2.01 0.00 0.00 57.72 55.86 3kro n HIS 101 Cb 0.21 -0.88 -0.14 0.00 0.12 0.00 0.00 29.99 29.30 3kro n HIS 101 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 3kro h MET 102 N 0.00 0.15 0.25 -1.40 2.86 -1.61 0.21 114.93 115.39 3kro h MET 102 Ca 0.00 -0.26 -0.33 0.00 -2.06 0.00 0.00 59.70 57.05 3kro h MET 102 Cb 0.35 0.10 0.04 0.00 0.06 0.00 0.00 31.60 32.14 3kro h MET 102 CO 0.00 1.02 -1.47 0.00 1.06 0.00 0.00 176.91 177.52 3kro h ALA 103 N 0.71 -0.15 -0.00 6.32 0.00 -0.82 -3.40 119.26 121.93 3kro h ALA 103 Ca -0.17 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3kro h ALA 103 Cb 1.94 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3kro h ALA 103 CO 0.15 0.71 -0.06 1.19 0.00 0.00 0.00 179.25 181.25 3kro n PHE 104 N -3.70 0.00 0.00 0.00 3.01 -0.20 -5.12 117.46 111.45 3kro n PHE 104 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3kro n PHE 104 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.55 1.74 0.30 1.37 0.00 0.74 -4.49 105.19 105.40 3kro n GLY 105 Ca 0.01 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 1.00 -0.26 1.61 5.08 -1.91 -2.05 114.58 118.04 3kro h GLU 106 Ca 0.00 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3kro h GLU 106 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3kro h GLU 106 CO 0.00 0.99 0.15 1.03 -1.00 0.00 0.00 179.01 180.18 3kro h SER 107 N 0.91 0.32 -0.64 1.42 0.87 -1.93 0.29 113.55 114.79 3kro h SER 107 Ca 0.16 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3kro h SER 107 Cb 0.55 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3kro h SER 107 CO 0.03 0.29 0.06 0.58 -0.53 0.00 0.00 176.83 177.26 3kro h VAL 108 N 0.32 1.26 -0.72 2.23 2.07 -1.78 -1.28 116.25 118.36 3kro h VAL 108 Ca 0.09 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3kro h VAL 108 Cb 0.04 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3kro h VAL 108 CO -0.02 0.40 0.36 0.00 0.02 0.00 0.00 177.57 178.33 3kro h ALA 109 N 1.02 0.93 0.37 1.67 0.00 -0.98 0.63 119.26 122.90 3kro h ALA 109 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kro h ALA 109 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kro h ALA 109 CO 0.02 0.48 -0.18 0.28 0.00 0.00 0.00 179.25 179.86 3kro h VAL 110 N 1.01 0.63 -0.93 0.00 2.07 -0.61 -1.43 116.25 116.99 3kro h VAL 110 Ca 0.25 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kro h VAL 110 Cb 0.10 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3kro h VAL 110 CO -0.03 0.07 0.60 -0.07 0.02 0.00 0.00 177.57 178.16 3kro h LEU 111 N -0.71 1.00 -0.77 2.57 3.38 -0.91 -0.37 115.31 119.49 3kro h LEU 111 Ca -0.05 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3kro h LEU 111 Cb 0.50 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kro h LEU 111 CO 0.08 0.68 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 3kro h ALA 112 N 1.39 0.97 -0.39 1.53 0.00 0.26 0.26 119.26 123.28 3kro h ALA 112 Ca 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kro h ALA 112 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kro h ALA 112 CO -0.12 0.62 0.11 0.78 0.00 0.00 0.00 179.25 180.64 3kro h GLY 113 N 0.99 0.65 1.01 0.00 0.00 -0.18 -2.09 103.07 103.45 3kro h GLY 113 Ca 0.16 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3kro h GLY 113 CO 0.03 0.37 0.57 -0.55 0.00 0.00 0.00 176.54 176.96 3kro h ASP 114 N 0.48 0.93 -0.58 0.19 3.32 -0.41 -2.44 116.42 117.92 3kro h ASP 114 Ca 0.12 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 3kro h ASP 114 Cb 0.27 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3kro h ASP 114 CO -0.00 0.64 0.08 0.00 -1.72 0.00 0.00 179.24 178.24 3kro h ALA 115 N 1.49 0.99 -0.45 3.45 0.00 -0.09 -1.85 119.26 122.81 3kro h ALA 115 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kro h ALA 115 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kro h ALA 115 CO -0.11 0.63 0.02 -0.07 0.00 0.00 0.00 179.25 179.72 3kro h LEU 116 N 0.94 0.70 -0.07 0.00 3.38 -0.93 0.57 115.31 119.90 3kro h LEU 116 Ca 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kro h LEU 116 Cb 0.43 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kro h LEU 116 CO 0.01 0.76 0.01 0.25 0.09 0.00 0.00 178.44 179.56 3kro h LEU 117 N 0.69 0.11 -0.55 1.67 5.85 -1.04 -0.63 115.31 121.41 3kro h LEU 117 Ca 0.14 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 3kro h LEU 117 Cb 0.40 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3kro h LEU 117 CO 0.01 0.35 -0.68 0.77 -0.34 0.00 0.00 178.44 178.55 3kro h SER 118 N -0.12 0.27 0.00 1.25 4.64 -1.31 -3.05 113.55 115.23 3kro h SER 118 Ca 0.02 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 3kro h SER 118 Cb 0.28 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3kro h SER 118 CO 0.00 0.87 -0.22 0.15 -0.87 0.00 0.00 176.83 176.76 3kro h PHE 119 N 0.16 0.40 -0.72 4.77 3.04 -0.80 -1.36 116.94 122.43 3kro h PHE 119 Ca -0.02 -0.07 0.10 0.00 3.98 0.00 0.00 57.97 61.96 3kro h PHE 119 Cb 1.22 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 39.55 3kro h PHE 119 CO 0.02 0.56 0.35 0.00 -2.02 0.00 0.00 178.31 177.23 3kro h ALA 120 N 1.45 0.99 -0.15 2.41 0.00 -1.00 0.20 119.26 123.16 3kro h ALA 120 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kro h ALA 120 Cb 0.57 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kro h ALA 120 CO 0.04 -0.06 -0.07 0.74 0.00 0.00 0.00 179.25 179.90 3kro h PHE 121 N 0.59 0.36 -0.38 0.00 0.04 -1.42 -2.56 116.94 113.56 3kro h PHE 121 Ca 0.36 -0.09 0.05 0.00 2.80 0.00 0.00 57.97 61.09 3kro h PHE 121 Cb 0.39 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 3kro h PHE 121 CO -0.11 0.63 0.10 1.49 -0.60 0.00 0.00 178.31 179.82 3kro h GLU 122 N -0.03 0.23 -0.39 1.51 4.81 -0.65 0.22 114.58 120.29 3kro h GLU 122 Ca 0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3kro h GLU 122 Cb 0.54 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3kro h GLU 122 CO 0.02 0.15 0.08 1.25 -0.73 0.00 0.00 179.01 179.78 3kro h HIS 123 N 0.24 0.66 -0.12 0.92 2.76 -0.60 0.23 115.15 119.24 3kro h HIS 123 Ca 0.18 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3kro h HIS 123 Cb 0.19 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3kro h HIS 123 CO -0.18 0.65 0.05 0.28 -1.30 0.00 0.00 177.93 177.43 3kro h VAL 124 N 0.48 1.15 -0.71 5.26 2.07 -1.27 0.16 116.25 123.38 3kro h VAL 124 Ca 0.12 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3kro h VAL 124 Cb 0.33 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3kro h VAL 124 CO 0.00 0.13 0.26 0.00 0.02 0.00 0.00 177.57 177.98 3kro h ALA 125 N 0.89 0.93 0.00 1.67 0.00 -0.71 -3.02 119.26 119.01 3kro h ALA 125 Ca 0.04 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 3kro h ALA 125 Cb 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3kro h ALA 125 CO -0.00 0.57 -1.98 0.00 0.00 0.00 0.00 179.25 177.84 3kro n ALA 126 N -2.42 1.54 0.93 0.00 0.00 0.79 -4.49 120.51 116.87 3kro n ALA 126 Ca 0.05 -0.99 0.11 0.00 0.00 0.00 0.00 53.44 52.61 3kro n ALA 126 Cb 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.62 4.21 -2.15 0.00 0.00 0.55 -4.91 120.51 115.59 3kro n ALA 127 Ca -0.23 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 3kro n ALA 127 Cb 1.08 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -3.03 3.75 0.16 0.00 2.01 -1.14 -4.90 115.64 112.48 3kro s THR 128 Ca 0.08 0.98 0.11 0.00 0.31 0.00 0.00 61.69 63.18 3kro s THR 128 Cb 0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3kro s THR 128 CO 0.81 -0.06 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.88 3kro s LYS 129 N 3.46 1.44 0.00 4.92 -0.14 -1.26 -4.75 119.74 123.42 3kro s LYS 129 Ca 0.67 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 3kro s LYS 129 Cb -0.30 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 3kro s LYS 129 CO 0.25 0.42 0.00 0.41 -0.76 0.00 0.00 175.35 175.68 3kro n GLY 130 N 0.64 0.75 3.13 -3.33 0.00 -1.26 -4.49 105.19 100.64 3kro n GLY 130 Ca -0.16 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.60 0.57 4.61 0.00 -1.26 -5.03 121.76 118.04 3kro s ALA 131 Ca 0.00 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3kro s ALA 131 Cb 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 3kro s ALA 131 CO 0.00 -0.13 1.08 -1.25 0.00 0.00 0.00 175.76 175.46 3kro s PRO 132 N -0.03 3.34 0.27 0.00 0.04 -1.26 -4.83 135.00 132.53 3kro s PRO 132 Ca -0.02 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.38 3kro s PRO 132 Cb -0.02 -2.03 0.63 0.00 0.04 0.00 0.00 34.50 33.12 3kro s PRO 132 CO 0.01 -0.81 1.65 -1.35 0.04 0.00 0.00 177.00 176.54 3kro h PRO 133 N 0.77 0.21 0.00 0.56 0.11 -1.99 -1.30 132.00 130.36 3kro h PRO 133 Ca -0.48 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3kro h PRO 133 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kro h PRO 133 CO 0.57 0.14 -0.38 1.05 -0.21 0.00 0.00 178.00 179.17 3kro h GLU 134 N 0.21 0.00 -0.13 1.05 -0.00 -1.98 0.84 114.58 114.57 3kro h GLU 134 Ca 0.51 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.67 3kro h GLU 134 Cb 0.98 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.74 3kro h GLU 134 CO -0.63 0.38 -0.69 -0.09 -0.00 0.00 0.00 179.01 177.99 3kro h ARG 135 N 0.00 0.69 -0.41 1.06 2.43 -1.64 0.32 114.38 116.84 3kro h ARG 135 Ca -0.00 -0.57 -0.12 0.00 -0.81 0.00 0.00 59.98 58.48 3kro h ARG 135 Cb 0.78 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 3kro h ARG 135 CO 0.05 1.19 -0.21 0.82 -1.51 0.00 0.00 179.97 180.30 3kro h ILE 136 N 0.38 1.27 -0.37 1.20 2.04 -1.01 -1.07 117.51 119.96 3kro h ILE 136 Ca -0.05 -1.33 -0.12 0.00 1.00 0.00 0.00 64.86 64.36 3kro h ILE 136 Cb 1.33 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3kro h ILE 136 CO 0.14 0.45 -0.28 0.58 0.00 0.00 0.00 178.15 179.04 3kro h VAL 137 N 0.70 1.28 -0.48 1.67 2.07 -0.80 -0.15 116.25 120.54 3kro h VAL 137 Ca 0.10 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3kro h VAL 137 Cb 0.73 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3kro h VAL 137 CO 0.06 0.47 0.31 -0.09 0.02 0.00 0.00 177.57 178.34 3kro h ARG 138 N 0.66 0.64 -0.76 1.57 2.43 -0.53 -0.33 114.38 118.05 3kro h ARG 138 Ca 0.08 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3kro h ARG 138 Cb 0.80 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 3kro h ARG 138 CO 0.07 0.44 0.35 0.28 -1.51 0.00 0.00 179.97 179.60 3kro h VAL 139 N 0.65 1.24 -0.64 0.20 2.07 -1.00 0.11 116.25 118.89 3kro h VAL 139 Ca 0.18 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3kro h VAL 139 Cb -0.06 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3kro h VAL 139 CO -0.04 0.30 0.21 -0.07 0.02 0.00 0.00 177.57 177.98 3kro h LEU 140 N 1.09 0.89 -0.02 2.57 3.38 -0.21 -1.77 115.31 121.24 3kro h LEU 140 Ca 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kro h LEU 140 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kro h LEU 140 CO -0.03 0.83 0.01 1.23 0.09 0.00 0.00 178.44 180.57 3kro h GLY 141 N 1.03 0.02 1.25 0.83 0.00 0.69 -1.98 103.07 104.91 3kro h GLY 141 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3kro h GLY 141 CO -0.01 0.01 0.48 0.83 0.00 0.00 0.00 176.54 177.85 3kro h GLU 142 N -0.00 1.01 -0.50 4.80 4.39 -0.61 -1.70 114.58 121.97 3kro h GLU 142 Ca 0.01 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3kro h GLU 142 Cb 0.02 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3kro h GLU 142 CO -0.00 0.68 0.19 1.25 -1.16 0.00 0.00 179.01 179.98 3kro h LEU 143 N 1.03 0.69 -0.46 1.33 5.85 -1.12 0.91 115.31 123.53 3kro h LEU 143 Ca 0.27 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3kro h LEU 143 Cb -0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3kro h LEU 143 CO -0.06 0.67 0.09 0.00 -0.34 0.00 0.00 178.44 178.81 3kro h ALA 144 N 1.04 0.61 -0.04 1.25 0.00 -1.04 -2.29 119.26 118.78 3kro h ALA 144 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kro h ALA 144 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kro h ALA 144 CO -0.01 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.65 3kro h VAL 145 N 0.62 1.15 0.00 0.00 2.07 -1.13 -0.86 116.25 118.10 3kro h VAL 145 Ca 0.14 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kro h VAL 145 Cb 0.36 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3kro h VAL 145 CO 0.01 0.21 -0.13 0.77 0.02 0.00 0.00 177.57 178.44 3kro h SER 146 N 0.06 0.00 -0.00 0.57 4.64 -0.41 -3.34 113.55 115.07 3kro h SER 146 Ca 0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kro h SER 146 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3kro h SER 146 CO 0.02 0.02 -0.02 2.30 -0.87 0.00 0.00 176.83 178.28 3kro n ILE 147 N -2.35 0.00 -0.90 0.95 -5.35 -0.90 -1.41 119.36 109.40 3kro n ILE 147 Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 3kro n ILE 147 Cb 0.45 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 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 0.36 1.27 0.02 3.28 0.00 -0.37 -2.51 105.19 107.24 3kro n GLY 148 Ca 0.02 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.07 -0.27 1.61 7.64 -1.26 -0.11 113.62 121.30 3kro n SER 149 Ca 0.00 0.53 0.09 0.00 1.01 0.00 0.00 58.87 60.50 3kro n SER 149 Cb 0.00 -0.54 0.17 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.60 1.54 0.00 1.43 1.02 -1.26 -4.45 120.64 117.32 3kro n GLU 150 Ca -0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 3kro n GLU 150 Cb 0.01 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.28 4.02 0.38 0.62 0.00 0.84 -4.88 105.19 104.90 3kro n GLY 151 Ca 0.18 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.46 -1.13 0.99 6.46 -1.13 -1.43 115.31 117.62 3kro h LEU 152 Ca 0.00 0.25 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 3kro h LEU 152 Cb 0.00 0.68 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 3kro h LEU 152 CO 0.00 -0.32 0.59 0.58 -0.62 0.00 0.00 178.44 178.67 3kro h VAL 153 N -0.18 1.21 -0.65 1.05 2.07 -1.35 -0.02 116.25 118.39 3kro h VAL 153 Ca 0.21 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3kro h VAL 153 Cb 0.56 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3kro h VAL 153 CO -0.73 0.22 0.39 0.00 0.02 0.00 0.00 177.57 177.47 3kro h ALA 154 N 1.45 0.84 -0.36 1.67 0.00 -1.20 0.31 119.26 121.97 3kro h ALA 154 Ca 0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kro h ALA 154 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kro h ALA 154 CO -0.08 0.13 -0.14 0.78 0.00 0.00 0.00 179.25 179.94 3kro h GLY 155 N 0.76 0.70 0.96 0.00 0.00 -0.83 -1.44 103.07 103.22 3kro h GLY 155 Ca 0.27 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3kro h GLY 155 CO -0.12 0.48 -0.17 1.46 0.00 0.00 0.00 176.54 178.19 3kro h GLN 156 N 0.59 0.70 0.59 4.80 1.08 0.71 -2.23 115.11 121.34 3kro h GLN 156 Ca 0.10 -0.31 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 3kro h GLN 156 Cb 0.58 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.99 3kro h GLN 156 CO 0.04 0.92 -0.28 0.28 -0.95 0.00 0.00 178.83 178.83 3kro h VAL 157 N 0.48 0.29 -0.87 -0.54 2.07 -0.33 -2.53 116.25 114.81 3kro h VAL 157 Ca 0.07 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.42 3kro h VAL 157 Cb 0.71 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3kro h VAL 157 CO 0.05 0.04 0.56 0.58 0.02 0.00 0.00 177.57 178.82 3kro h VAL 158 N -1.03 0.82 -0.25 2.57 2.07 -1.34 0.29 116.25 119.38 3kro h VAL 158 Ca -0.08 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3kro h VAL 158 Cb 0.66 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3kro h VAL 158 CO 0.13 0.12 0.03 -0.78 0.02 0.00 0.00 177.57 177.09 3kro h ASP 159 N 0.64 0.41 1.09 0.57 3.58 -1.37 -1.78 116.42 119.57 3kro h ASP 159 Ca 0.44 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 3kro h ASP 159 Cb 0.75 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 3kro h ASP 159 CO -0.19 0.58 -0.15 1.62 -2.88 0.00 0.00 179.24 178.22 3kro h VAL 160 N 0.23 0.34 -0.40 2.25 3.04 -0.85 -2.54 116.25 118.32 3kro h VAL 160 Ca 0.08 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 3kro h VAL 160 Cb 0.35 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3kro h VAL 160 CO 0.01 0.14 0.00 0.00 -1.01 0.00 0.00 177.57 176.71 3kro n SER 162 N 0.65 1.06 -1.50 0.00 7.64 -0.73 -4.71 113.62 116.04 3kro n SER 162 Ca 0.14 -1.35 -0.10 0.00 1.01 0.00 0.00 58.87 58.58 3kro n SER 162 Cb 0.41 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.68 3kro n SER 162 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kro n GLU 163 N -0.17 1.54 0.00 1.43 1.02 -1.23 -3.80 120.64 119.42 3kro n GLU 163 Ca 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 3kro n GLU 163 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3kro n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kro n GLY 164 N -0.17 0.00 3.10 0.62 0.00 -1.26 -4.97 105.19 102.52 3kro n GLY 164 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.91 1.97 0.00 1.61 -2.45 -1.25 -4.97 119.30 112.31 3kro s MET 165 Ca 0.00 -1.70 0.08 0.00 -1.25 0.00 0.00 55.69 52.82 3kro s MET 165 Cb 0.00 -3.38 0.43 0.00 1.25 0.00 0.00 34.83 33.14 3kro s MET 165 CO 0.00 -0.92 0.97 0.00 1.05 0.00 0.00 175.02 176.11 3kro n ALA 166 N 4.51 1.71 -2.32 4.11 0.00 -1.26 -4.17 120.51 123.09 3kro n ALA 166 Ca -0.03 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3kro n ALA 166 Cb 0.42 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3kro n ALA 166 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kro n GLU 167 N -1.08 3.44 -4.24 0.00 2.13 -1.26 -4.19 120.64 115.44 3kro n GLU 167 Ca 0.05 -3.40 -0.34 0.00 0.66 0.00 0.00 57.16 54.13 3kro n GLU 167 Cb 0.04 -3.02 -0.12 0.00 0.27 0.00 0.00 31.44 28.61 3kro n GLU 167 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kro s VAL 168 N 1.15 4.10 0.65 6.31 1.01 -1.26 -5.12 120.40 127.23 3kro s VAL 168 Ca 0.42 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 3kro s VAL 168 Cb 0.09 -2.82 0.14 0.00 0.00 0.00 0.00 36.38 33.79 3kro s VAL 168 CO -0.01 0.47 0.88 0.61 0.00 0.00 0.00 175.10 177.06 3kro n GLY 169 N 3.70 -0.55 0.32 4.51 0.00 -1.26 -4.86 105.19 107.05 3kro n GLY 169 Ca -0.17 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 3kro n GLY 169 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kro h LEU 170 N 0.00 0.95 -0.02 0.99 5.85 -1.98 -2.26 115.31 118.83 3kro h LEU 170 Ca -0.29 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3kro h LEU 170 Cb 0.89 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3kro h LEU 170 CO 0.24 0.89 0.01 -0.78 -0.34 0.00 0.00 178.44 178.46 3kro h ASP 171 N 0.98 0.03 0.28 1.25 3.58 -1.98 0.15 116.42 120.70 3kro h ASP 171 Ca 0.21 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 3kro h ASP 171 Cb 0.29 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3kro h ASP 171 CO -0.01 0.15 -0.20 -0.74 -2.88 0.00 0.00 179.24 175.56 3kro h HIS 172 N -0.09 -0.53 -0.93 0.28 2.76 -1.91 0.19 115.15 114.93 3kro h HIS 172 Ca 0.01 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3kro h HIS 172 Cb 0.12 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.21 3kro h HIS 172 CO -0.03 -0.31 0.58 1.25 -1.30 0.00 0.00 177.93 178.12 3kro h LEU 173 N -0.48 0.90 -1.03 0.26 5.85 -1.30 -1.05 115.31 118.46 3kro h LEU 173 Ca -0.02 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3kro h LEU 173 Cb 0.42 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kro h LEU 173 CO 0.00 0.55 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.02 3kro h GLU 174 N 1.02 0.32 0.22 1.25 5.08 -0.27 -2.06 114.58 120.14 3kro h GLU 174 Ca 0.42 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3kro h GLU 174 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3kro h GLU 174 CO -0.20 0.60 -0.24 0.35 -1.00 0.00 0.00 179.01 178.52 3kro h PHE 175 N 0.28 -0.64 0.03 4.33 3.04 0.32 0.22 116.94 124.52 3kro h PHE 175 Ca 0.04 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.01 3kro h PHE 175 Cb 0.68 0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 3kro h PHE 175 CO 0.02 -0.35 -0.12 0.82 -2.02 0.00 0.00 178.31 176.65 3kro h ILE 176 N -0.50 0.70 -0.83 1.41 2.04 -1.31 -0.58 117.51 118.43 3kro h ILE 176 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3kro h ILE 176 Cb 0.48 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3kro h ILE 176 CO -0.07 0.00 0.49 0.45 0.00 0.00 0.00 178.15 179.02 3kro h HIS 177 N -0.22 1.11 -0.85 1.37 3.86 -1.24 0.39 115.15 119.56 3kro h HIS 177 Ca 0.03 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3kro h HIS 177 Cb 0.26 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 3kro h HIS 177 CO -0.17 0.75 0.42 1.25 0.86 0.00 0.00 177.93 181.04 3kro h HIS 178 N 1.15 1.21 0.03 2.45 -0.00 -0.25 -0.45 115.15 119.28 3kro h HIS 178 Ca 0.30 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.54 3kro h HIS 178 Cb -0.03 -0.38 0.01 0.00 -0.00 0.00 0.00 27.41 27.01 3kro h HIS 178 CO -0.00 0.87 -0.32 0.45 -0.00 0.00 0.00 177.93 178.92 3kro h HIS 179 N 1.20 0.27 0.00 5.26 -0.00 -0.78 0.11 115.15 121.22 3kro h HIS 179 Ca 0.29 -0.17 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 3kro h HIS 179 Cb 0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 3kro h HIS 179 CO 0.01 1.03 -0.27 -0.22 -0.00 0.00 0.00 177.93 178.48 3kro h LYS 180 N -0.56 0.00 0.00 2.45 3.64 -0.25 -3.06 116.57 118.78 3kro h LYS 180 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kro h LYS 180 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3kro h LYS 180 CO 0.06 0.27 -0.72 2.41 -2.27 0.00 0.00 179.45 179.21 3kro n THR 181 N -3.41 0.06 0.12 1.00 -1.04 -0.20 -4.84 114.28 105.97 3kro n THR 181 Ca 0.00 0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 62.01 3kro n THR 181 Cb 0.47 -1.27 0.20 0.00 -1.82 0.00 0.00 70.33 67.91 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 1.04 -0.05 2.41 0.00 -1.04 -3.04 119.26 118.58 3kro h ALA 182 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3kro h ALA 182 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kro h ALA 182 CO 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 3kro h ALA 183 N 1.37 0.01 -0.01 0.00 0.00 -0.97 0.58 119.26 120.25 3kro h ALA 183 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3kro h ALA 183 Cb 0.98 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kro h ALA 183 CO 0.08 -0.51 -0.47 1.25 0.00 0.00 0.00 179.25 179.59 3kro h LEU 184 N -0.04 0.01 -0.68 0.00 5.85 -1.70 0.20 115.31 118.96 3kro h LEU 184 Ca 0.03 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3kro h LEU 184 Cb 0.09 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kro h LEU 184 CO -0.08 0.48 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.99 3kro h LEU 185 N 0.01 0.53 -0.38 2.25 3.38 -1.23 -2.11 115.31 117.76 3kro h LEU 185 Ca -0.00 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3kro h LEU 185 Cb 0.84 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kro h LEU 185 CO 0.06 0.91 -0.06 -0.61 0.09 0.00 0.00 178.44 178.83 3kro h GLN 186 N 0.40 0.71 -0.98 1.13 4.15 0.65 -2.29 115.11 118.89 3kro h GLN 186 Ca 0.03 -0.26 0.09 0.00 0.77 0.00 0.00 58.65 59.28 3kro h GLN 186 Cb 0.94 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.51 3kro h GLN 186 CO 0.08 0.84 0.62 0.78 -1.93 0.00 0.00 178.83 179.23 3kro h GLY 187 N 0.52 1.54 0.92 2.39 0.00 -0.42 0.07 103.07 108.09 3kro h GLY 187 Ca 0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3kro h GLY 187 CO 0.03 0.26 0.02 1.76 0.00 0.00 0.00 176.54 178.61 3kro h SER 188 N 1.07 0.61 0.75 0.19 0.02 -1.00 0.65 113.55 115.85 3kro h SER 188 Ca 0.45 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3kro h SER 188 Cb 0.29 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3kro h SER 188 CO -0.21 0.76 -0.63 1.62 -1.14 0.00 0.00 176.83 177.22 3kro h VAL 189 N 0.45 1.37 0.02 2.27 3.04 -1.21 -2.27 116.25 119.92 3kro h VAL 189 Ca 0.11 -2.23 -0.21 0.00 -1.01 0.00 0.00 66.70 63.36 3kro h VAL 189 Cb 0.43 2.23 0.02 0.00 -2.01 0.00 0.00 31.29 31.96 3kro h VAL 189 CO 0.02 0.62 -0.82 0.58 -1.01 0.00 0.00 177.57 176.96 3kro h VAL 190 N 0.00 1.37 -0.37 1.51 2.07 -0.75 -0.82 116.25 119.25 3kro h VAL 190 Ca -0.01 -2.19 0.05 0.00 0.82 0.00 0.00 66.70 65.37 3kro h VAL 190 Cb 1.18 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 33.46 3kro h VAL 190 CO 0.08 0.65 0.11 -0.07 0.02 0.00 0.00 177.57 178.36 3kro h LEU 191 N 0.09 0.08 -0.45 2.57 3.38 -0.77 -1.06 115.31 119.15 3kro h LEU 191 Ca -0.11 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3kro h LEU 191 Cb 1.51 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 3kro h LEU 191 CO 0.16 0.08 0.01 1.23 0.09 0.00 0.00 178.44 180.02 3kro h GLY 192 N 0.25 0.84 0.94 0.83 0.00 -1.35 -1.22 103.07 103.36 3kro h GLY 192 Ca 0.18 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3kro h GLY 192 CO -0.20 0.56 0.10 0.00 0.00 0.00 0.00 176.54 177.00 3kro h ALA 193 N 0.91 0.24 0.64 3.60 0.00 -0.84 0.09 119.26 123.91 3kro h ALA 193 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kro h ALA 193 Cb 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kro h ALA 193 CO 0.02 -0.23 -0.31 0.82 0.00 0.00 0.00 179.25 179.55 3kro h ILE 194 N 0.20 0.34 -0.60 0.00 2.04 -1.21 -0.73 117.51 117.55 3kro h ILE 194 Ca 0.07 -0.10 0.16 0.00 1.00 0.00 0.00 64.86 65.98 3kro h ILE 194 Cb 0.07 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3kro h ILE 194 CO -0.01 0.01 0.43 -0.07 0.00 0.00 0.00 178.15 178.51 3kro h LEU 195 N -0.93 0.07 0.00 1.44 3.38 -1.13 0.22 115.31 118.35 3kro h LEU 195 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kro h LEU 195 Cb 0.68 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kro h LEU 195 CO 0.14 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3kro n GLY 196 N -1.63 -1.27 0.52 0.83 0.00 0.01 -4.89 105.19 98.76 3kro n GLY 196 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.05 0.85 3.77 -0.02 0.00 0.76 -3.47 105.19 108.12 3kro n GLY 197 Ca 0.09 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3kro n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kro s GLY 198 N -2.20 2.96 0.99 -0.02 0.00 -0.31 -5.01 107.32 103.73 3kro s GLY 198 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 3kro s GLY 198 CO 0.00 1.61 1.09 0.54 0.00 0.00 0.00 173.10 176.33 3kro s LYS 199 N -1.90 0.47 0.37 2.90 1.02 -1.26 -4.71 119.74 116.62 3kro s LYS 199 Ca 0.51 1.06 0.04 0.00 0.02 0.00 0.00 55.97 57.60 3kro s LYS 199 Cb -0.34 -1.70 0.71 0.00 -0.52 0.00 0.00 37.83 35.98 3kro s LYS 199 CO 0.43 -2.85 2.01 1.49 -0.92 0.00 0.00 175.35 175.51 3kro h GLU 200 N -2.01 0.69 -0.55 1.68 4.57 -1.98 -0.93 114.58 116.05 3kro h GLU 200 Ca -0.51 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.54 3kro h GLU 200 Cb 1.29 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3kro h GLU 200 CO 0.49 0.49 0.05 1.49 -1.18 0.00 0.00 179.01 180.35 3kro h GLU 201 N 0.70 0.94 -0.02 1.92 4.22 -1.99 0.13 114.58 120.49 3kro h GLU 201 Ca 0.18 -0.27 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 3kro h GLU 201 Cb -0.02 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3kro h GLU 201 CO -0.03 0.92 0.00 0.93 -2.18 0.00 0.00 179.01 178.65 3kro h GLU 202 N 0.82 0.03 -0.86 1.92 5.08 -1.81 -2.05 114.58 117.71 3kro h GLU 202 Ca 0.16 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.65 3kro h GLU 202 Cb 0.46 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 3kro h GLU 202 CO 0.02 0.31 0.47 0.28 -1.00 0.00 0.00 179.01 179.08 3kro h VAL 203 N -0.25 0.78 -0.52 3.13 2.07 -0.98 -1.67 116.25 118.81 3kro h VAL 203 Ca 0.00 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3kro h VAL 203 Cb 0.29 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3kro h VAL 203 CO 0.00 0.13 -0.13 0.00 0.02 0.00 0.00 177.57 177.58 3kro h ALA 204 N 1.54 0.71 -0.01 1.67 0.00 -0.73 -2.00 119.26 120.44 3kro h ALA 204 Ca 0.45 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kro h ALA 204 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kro h ALA 204 CO -0.33 0.65 -0.17 0.87 0.00 0.00 0.00 179.25 180.26 3kro h LYS 205 N 0.87 0.01 0.02 0.00 1.57 -0.76 -2.28 116.57 116.01 3kro h LYS 205 Ca 0.13 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.69 3kro h LYS 205 Cb 0.70 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3kro h LYS 205 CO 0.05 0.19 -0.95 -0.07 -0.57 0.00 0.00 179.45 178.10 3kro h LEU 206 N 0.01 0.36 -0.56 2.94 3.38 -0.90 -1.73 115.31 118.81 3kro h LEU 206 Ca 0.00 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3kro h LEU 206 Cb 0.32 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3kro h LEU 206 CO 0.02 1.13 0.25 -0.09 0.09 0.00 0.00 178.44 179.84 3kro h ARG 207 N 0.14 0.81 -0.20 1.13 2.43 -1.07 -0.51 114.38 117.10 3kro h ARG 207 Ca -0.07 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 3kro h ARG 207 Cb 1.60 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 3kro h ARG 207 CO 0.15 0.68 0.08 0.87 -1.51 0.00 0.00 179.97 180.24 3kro h LYS 208 N 0.75 0.31 -0.21 0.20 1.57 -1.38 -1.73 116.57 116.08 3kro h LYS 208 Ca 0.19 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3kro h LYS 208 Cb 0.14 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 3kro h LYS 208 CO -0.02 0.37 -0.39 0.35 -0.57 0.00 0.00 179.45 179.19 3kro h PHE 209 N 0.18 -1.12 -0.93 -1.35 3.57 -1.07 -0.81 116.94 115.41 3kro h PHE 209 Ca 0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3kro h PHE 209 Cb 0.18 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 3kro h PHE 209 CO -0.01 -0.44 0.54 0.00 -2.23 0.00 0.00 178.31 176.16 3kro h ALA 210 N 0.30 1.19 -0.23 2.41 0.00 -0.95 -1.21 119.26 120.78 3kro h ALA 210 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kro h ALA 210 Cb 0.59 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kro h ALA 210 CO -0.44 0.67 -0.15 -0.91 0.00 0.00 0.00 179.25 178.42 3kro h ASN 211 N 1.29 0.38 -0.09 0.00 2.35 -0.83 0.56 115.58 119.24 3kro h ASN 211 Ca 0.33 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 3kro h ASN 211 Cb -0.02 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3kro h ASN 211 CO -0.06 0.56 -0.17 0.00 -1.65 0.00 0.00 177.43 176.11 3kro h ILE 213 N -0.18 0.58 -0.23 0.00 3.07 -1.02 0.34 117.51 120.07 3kro h ILE 213 Ca 0.00 -1.24 -0.04 0.00 1.55 0.00 0.00 64.86 65.14 3kro h ILE 213 Cb 0.75 1.84 -0.01 0.00 -0.27 0.00 0.00 36.82 39.13 3kro h ILE 213 CO 0.04 0.25 0.00 1.23 -1.05 0.00 0.00 178.15 178.62 3kro h GLY 214 N 2.26 0.43 1.27 0.16 0.00 0.24 -2.08 103.07 105.36 3kro h GLY 214 Ca -0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 47.33 46.81 3kro h GLY 214 CO 0.03 0.29 -0.70 -2.00 0.00 0.00 0.00 176.54 174.16 3kro h LEU 215 N 0.17 0.85 -0.98 3.11 5.85 -1.11 -3.11 115.31 120.09 3kro h LEU 215 Ca 0.07 -0.53 0.24 0.00 0.84 0.00 0.00 57.88 58.50 3kro h LEU 215 Cb 0.39 -0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.05 3kro h LEU 215 CO 0.01 1.31 0.55 0.25 -0.34 0.00 0.00 178.44 180.22 3kro h LEU 216 N 0.52 0.61 -0.28 2.25 5.85 -0.14 -1.65 115.31 122.46 3kro h LEU 216 Ca -0.03 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kro h LEU 216 Cb 1.31 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3kro h LEU 216 CO 0.14 0.08 0.18 0.15 -0.34 0.00 0.00 178.44 178.66 3kro h PHE 217 N 0.54 0.35 -0.11 1.25 3.57 -1.30 -1.23 116.94 120.01 3kro h PHE 217 Ca 0.63 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 62.00 3kro h PHE 217 Cb 1.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3kro h PHE 217 CO -0.03 0.22 -0.54 1.96 -2.23 0.00 0.00 178.31 177.69 3kro h GLN 218 N 0.38 0.31 0.58 1.11 1.08 -1.41 -0.73 115.11 116.44 3kro h GLN 218 Ca 0.10 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3kro h GLN 218 Cb -0.04 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3kro h GLN 218 CO -0.02 0.77 -0.28 0.28 -0.95 0.00 0.00 178.83 178.63 3kro h VAL 219 N 0.24 0.21 -0.87 -0.54 2.07 -1.30 -0.98 116.25 115.09 3kro h VAL 219 Ca 0.01 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.26 3kro h VAL 219 Cb 1.02 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 3kro h VAL 219 CO 0.09 0.03 0.50 0.58 0.02 0.00 0.00 177.57 178.79 3kro h VAL 220 N -1.09 0.86 -0.95 2.57 2.07 -1.22 0.22 116.25 118.71 3kro h VAL 220 Ca -0.08 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3kro h VAL 220 Cb 0.65 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 3kro h VAL 220 CO 0.13 0.14 0.62 -0.78 0.02 0.00 0.00 177.57 177.70 3kro h ASP 221 N 0.79 1.00 -0.24 0.57 3.58 -1.05 -0.12 116.42 120.95 3kro h ASP 221 Ca 0.44 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.73 3kro h ASP 221 Cb 0.48 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 3kro h ASP 221 CO -0.28 0.66 -0.46 0.44 -2.88 0.00 0.00 179.24 176.72 3kro h ASP 222 N 1.14 0.87 -0.78 2.28 3.32 0.81 -2.43 116.42 121.63 3kro h ASP 222 Ca 0.39 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3kro h ASP 222 Cb 0.09 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3kro h ASP 222 CO -0.13 1.19 0.38 0.40 -1.72 0.00 0.00 179.24 179.36 3kro h ILE 223 N 0.64 1.25 -0.49 0.35 2.04 -0.64 -2.74 117.51 117.92 3kro h ILE 223 Ca 0.04 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 3kro h ILE 223 Cb 1.04 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3kro h ILE 223 CO 0.10 0.30 0.09 -0.07 0.00 0.00 0.00 178.15 178.57 3kro h LEU 224 N 1.13 0.76 -2.46 1.44 3.38 -0.93 -1.04 115.31 117.59 3kro h LEU 224 Ca 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kro h LEU 224 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kro h LEU 224 CO -0.03 0.82 -0.01 0.44 0.09 0.00 0.00 178.44 179.74 3kro h ASP 225 N 0.68 0.00 0.14 -0.43 3.32 -1.15 -2.82 116.42 116.16 3kro h ASP 225 Ca 0.15 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.84 3kro h ASP 225 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3kro h ASP 225 CO 0.01 0.01 -2.03 0.52 -1.72 0.00 0.00 179.24 176.03 3kro n VAL 226 N -3.19 1.75 -0.37 -1.35 0.31 -0.87 -4.20 118.33 110.40 3kro n VAL 226 Ca -0.02 -0.66 -0.12 0.00 -0.01 0.00 0.00 64.34 63.54 3kro n VAL 226 Cb 0.15 -1.65 0.14 0.00 -0.91 0.00 0.00 33.84 31.57 3kro n VAL 226 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kro n THR 227 N -3.43 2.28 -0.02 2.52 -2.24 -0.45 -5.13 114.28 107.81 3kro n THR 227 Ca -0.32 -1.15 -0.01 0.00 -2.27 0.00 0.00 64.05 60.30 3kro n THR 227 Cb 1.04 -0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3kro n THR 227 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3kro h LYS 228 N 0.99 0.00 0.00 -0.78 2.10 -1.67 -3.49 116.57 113.72 3kro h LYS 228 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3kro h LYS 228 Cb 2.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 3kro h LYS 228 CO 0.63 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 179.25 3kro n LYS 245 N -3.21 0.00 -3.83 0.07 4.81 -1.26 -5.14 118.16 109.59 3kro n LYS 245 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.31 3kro n LYS 245 Cb 0.04 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.98 3kro n LYS 245 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kro s THR 246 N -2.13 0.04 0.16 3.15 2.01 -1.26 -4.92 115.64 112.68 3kro s THR 246 Ca 0.00 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 3kro s THR 246 Cb 0.00 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.16 3kro s THR 246 CO 0.00 -0.18 0.36 0.42 -0.69 0.00 0.00 174.62 174.53 3kro s THR 247 N -0.63 0.06 0.27 -0.82 -4.23 -1.26 -5.02 115.64 104.02 3kro s THR 247 Ca -0.07 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 3kro s THR 247 Cb -0.04 -1.59 0.26 0.00 1.34 0.00 0.00 72.50 72.47 3kro s THR 247 CO 0.01 -0.29 1.94 1.88 -0.54 0.00 0.00 174.62 177.62 3kro h TYR 248 N 2.43 1.16 0.00 3.99 0.05 -1.92 -1.66 116.97 121.03 3kro h TYR 248 Ca -0.31 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.43 3kro h TYR 248 Cb 1.24 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 3kro h TYR 248 CO 0.38 0.72 -0.32 -1.35 -1.05 0.00 0.00 178.16 176.54 3kro h PRO 249 N 1.24 0.00 0.00 4.88 0.11 -1.89 0.10 132.00 136.44 3kro h PRO 249 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3kro h PRO 249 Cb -0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3kro h PRO 249 CO -0.09 0.32 -0.04 0.87 -0.21 0.00 0.00 178.00 178.85 3kro h LYS 250 N 0.00 0.00 0.02 1.05 1.57 -1.75 0.36 116.57 117.82 3kro h LYS 250 Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3kro h LYS 250 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 3kro h LYS 250 CO 0.04 0.00 -2.35 1.28 -0.57 0.00 0.00 179.45 177.85 3kro n LEU 251 N -2.44 2.23 0.00 2.94 4.77 -0.68 -4.74 117.00 119.08 3kro n LEU 251 Ca 0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3kro n LEU 251 Cb 0.45 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3kro n LEU 251 CO 0.31 0.81 0.19 2.30 -1.33 0.00 0.00 177.39 179.68 3kro n ILE 252 N -3.18 0.13 0.00 -0.08 -5.35 0.31 -5.05 119.36 106.13 3kro n ILE 252 Ca -0.40 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3kro n ILE 252 Cb 1.04 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 40.25 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 -0.06 -2.48 0.29 3.28 0.00 0.11 -4.02 105.19 102.32 3kro n GLY 253 Ca 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 1.27 -0.20 1.61 2.07 -1.86 0.15 116.25 119.29 3kro h VAL 254 Ca 0.00 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3kro h VAL 254 Cb 0.00 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3kro h VAL 254 CO 0.00 0.43 -0.11 -0.08 0.02 0.00 0.00 177.57 177.83 3kro h GLU 255 N 0.91 -0.09 -0.01 1.57 4.81 -1.97 0.20 114.58 120.00 3kro h GLU 255 Ca 0.15 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3kro h GLU 255 Cb 0.62 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3kro h GLU 255 CO 0.04 -0.06 -0.66 0.87 -0.73 0.00 0.00 179.01 178.47 3kro h LYS 256 N -0.09 0.04 -0.50 1.92 1.57 -1.67 -1.77 116.57 116.07 3kro h LYS 256 Ca 0.11 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3kro h LYS 256 Cb 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3kro h LYS 256 CO -0.26 0.69 0.01 0.77 -0.57 0.00 0.00 179.45 180.09 3kro h SER 257 N 0.03 0.81 0.16 0.86 0.02 0.32 -0.50 113.55 115.25 3kro h SER 257 Ca -0.01 -0.20 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 3kro h SER 257 Cb 1.18 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3kro h SER 257 CO 0.09 0.87 -0.57 0.11 -1.14 0.00 0.00 176.83 176.18 3kro h LYS 258 N 0.78 0.43 -0.44 3.45 1.57 -0.33 -0.94 116.57 121.09 3kro h LYS 258 Ca 0.15 -0.28 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3kro h LYS 258 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3kro h LYS 258 CO 0.02 0.88 -0.19 1.49 -0.57 0.00 0.00 179.45 181.08 3kro h GLU 259 N 0.32 0.91 -0.67 3.15 4.81 -0.99 -1.09 114.58 121.03 3kro h GLU 259 Ca 0.00 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 3kro h GLU 259 Cb 1.10 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3kro h GLU 259 CO 0.10 1.04 0.30 0.35 -0.73 0.00 0.00 179.01 180.07 3kro h PHE 260 N 0.74 0.98 -0.51 0.92 3.57 -1.00 -0.26 116.94 121.39 3kro h PHE 260 Ca 0.10 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3kro h PHE 260 Cb 0.75 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3kro h PHE 260 CO 0.05 0.75 0.24 0.00 -2.23 0.00 0.00 178.31 177.13 3kro h ALA 261 N 1.13 0.66 -0.67 2.41 0.00 -0.91 0.12 119.26 122.00 3kro h ALA 261 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kro h ALA 261 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kro h ALA 261 CO -0.02 0.22 0.27 -0.44 0.00 0.00 0.00 179.25 179.28 3kro h ASP 262 N 0.68 0.91 -0.58 0.00 3.32 -0.86 -1.60 116.42 118.28 3kro h ASP 262 Ca 0.17 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3kro h ASP 262 Cb 0.13 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3kro h ASP 262 CO -0.02 0.83 0.18 0.03 -1.72 0.00 0.00 179.24 178.54 3kro h ARG 263 N 0.94 0.95 -0.67 3.56 3.08 -0.40 -1.40 114.38 120.44 3kro h ARG 263 Ca 0.22 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3kro h ARG 263 Cb 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3kro h ARG 263 CO -0.02 0.82 0.40 -0.07 -1.07 0.00 0.00 179.97 180.04 3kro h LEU 264 N 0.92 0.81 -0.37 3.04 3.38 -0.47 -1.17 115.31 121.45 3kro h LEU 264 Ca 0.20 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3kro h LEU 264 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kro h LEU 264 CO -0.01 0.64 -0.07 -1.13 0.09 0.00 0.00 178.44 177.96 3kro h ASN 265 N 0.91 0.70 -0.54 -0.43 -1.24 -1.03 0.02 115.58 113.97 3kro h ASN 265 Ca 0.24 -0.35 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 3kro h ASN 265 Cb -0.02 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 3kro h ASN 265 CO -0.04 0.89 0.12 -0.09 -1.29 0.00 0.00 177.43 177.02 3kro h ARG 266 N 0.50 0.87 -0.40 6.67 2.43 -1.09 -1.53 114.38 121.83 3kro h ARG 266 Ca 0.09 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3kro h ARG 266 Cb 0.58 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3kro h ARG 266 CO 0.03 0.82 -0.07 1.49 -1.51 0.00 0.00 179.97 180.74 3kro h GLU 267 N 0.77 0.75 -0.11 0.20 4.57 -1.05 -0.07 114.58 119.63 3kro h GLU 267 Ca 0.17 -0.28 0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3kro h GLU 267 Cb 0.35 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 3kro h GLU 267 CO 0.00 0.87 -0.30 0.00 -1.18 0.00 0.00 179.01 178.41 3kro h ALA 268 N 0.85 -0.35 -0.02 2.92 0.00 -0.87 -1.50 119.26 120.30 3kro h ALA 268 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kro h ALA 268 Cb 0.58 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kro h ALA 268 CO 0.03 -0.78 -0.21 1.96 0.00 0.00 0.00 179.25 180.25 3kro h GLN 269 N -0.39 0.03 -0.32 0.00 4.20 -1.10 -1.83 115.11 115.71 3kro h GLN 269 Ca 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3kro h GLN 269 Cb 0.53 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3kro h GLN 269 CO -0.33 0.24 0.17 0.93 -0.67 0.00 0.00 178.83 179.17 3kro h GLU 270 N 0.03 0.43 0.00 1.46 5.08 0.02 -1.82 114.58 119.78 3kro h GLU 270 Ca 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3kro h GLU 270 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3kro h GLU 270 CO 0.03 0.32 -0.22 1.96 -1.00 0.00 0.00 179.01 180.10 3kro h GLN 271 N 0.43 0.00 -0.06 2.33 1.08 -0.79 -2.86 115.11 115.24 3kro h GLN 271 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3kro h GLN 271 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3kro h GLN 271 CO -0.02 0.22 0.00 1.28 -0.95 0.00 0.00 178.83 179.36 3kro n LEU 272 N -3.88 1.62 -0.28 1.46 4.77 -0.69 -4.49 117.00 115.52 3kro n LEU 272 Ca -0.02 -0.58 0.07 0.00 -0.03 0.00 0.00 56.01 55.45 3kro n LEU 272 Cb 0.31 -0.03 0.29 0.00 -2.33 0.00 0.00 43.42 41.66 3kro n LEU 272 CO 0.34 0.29 1.23 -0.07 -1.33 0.00 0.00 177.39 177.86 3kro h LEU 273 N 2.42 0.80 -2.06 2.23 3.38 -1.48 -2.87 115.31 117.73 3kro h LEU 273 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kro h LEU 273 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kro h LEU 273 CO 0.00 0.48 0.00 1.41 0.09 0.00 0.00 178.44 180.42 3kro n HIS 274 N -4.52 0.74 -2.77 1.13 8.25 -1.26 -4.93 115.22 111.86 3kro n HIS 274 Ca 0.15 -0.37 -0.21 0.00 -0.26 0.00 0.00 57.72 57.03 3kro n HIS 274 Cb 0.29 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.46 3kro n HIS 274 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kro s PHE 275 N -1.26 2.00 0.10 4.41 0.40 -1.08 -5.01 117.98 117.53 3kro s PHE 275 Ca 0.38 -0.34 -0.31 0.00 -0.60 0.00 0.00 56.93 56.05 3kro s PHE 275 Cb 0.20 -2.66 -0.09 0.00 0.51 0.00 0.00 43.02 40.98 3kro s PHE 275 CO 0.26 -1.21 1.66 -1.01 0.70 0.00 0.00 175.22 175.62 3kro s HIS 276 N -2.83 2.53 0.31 0.36 3.76 -1.26 -4.83 115.29 113.32 3kro s HIS 276 Ca 0.62 0.34 0.07 0.00 -0.15 0.00 0.00 55.06 55.94 3kro s HIS 276 Cb -0.07 -3.98 0.76 0.00 1.11 0.00 0.00 32.58 30.39 3kro s HIS 276 CO 0.40 -3.89 1.79 -1.35 -0.85 0.00 0.00 174.74 170.84 3kro h PRO 277 N 8.03 0.73 -0.07 8.40 0.11 -1.92 0.32 132.00 147.61 3kro h PRO 277 Ca -0.43 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 3kro h PRO 277 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3kro h PRO 277 CO 0.93 0.48 -0.64 0.45 -0.21 0.00 0.00 178.00 179.01 3kro h HIS 278 N 0.75 0.34 0.00 0.65 3.86 -2.00 -0.58 115.15 118.17 3kro h HIS 278 Ca 0.56 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.55 3kro h HIS 278 Cb 0.89 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 3kro h HIS 278 CO -0.00 0.83 -0.90 0.00 0.86 0.00 0.00 177.93 178.71 3kro h ARG 279 N 0.19 0.00 0.00 2.45 3.08 -1.58 -3.27 114.38 115.24 3kro h ARG 279 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3kro h ARG 279 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3kro h ARG 279 CO 0.10 0.23 -0.55 0.00 -1.07 0.00 0.00 179.97 178.68 3kro h ALA 280 N 1.67 0.73 -0.80 0.04 0.00 -0.20 -3.38 119.26 117.32 3kro h ALA 280 Ca -0.06 -0.37 0.19 0.00 0.00 0.00 0.00 54.91 54.67 3kro h ALA 280 Cb 1.31 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 3kro h ALA 280 CO 0.03 0.48 0.21 0.00 0.00 0.00 0.00 179.25 179.97 3kro h ALA 281 N 1.64 1.10 -0.29 0.00 0.00 -1.16 0.11 119.26 120.66 3kro h ALA 281 Ca -0.02 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kro h ALA 281 Cb 1.30 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3kro h ALA 281 CO 0.04 -0.37 -0.03 -1.35 0.00 0.00 0.00 179.25 177.54 3kro h PRO 282 N 0.26 0.45 0.02 0.00 0.11 -1.80 0.12 132.00 131.16 3kro h PRO 282 Ca 0.47 -0.10 -0.25 0.00 0.11 0.00 0.00 66.00 66.23 3kro h PRO 282 Cb 0.87 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.92 3kro h PRO 282 CO -0.56 0.51 -1.04 -0.07 -0.21 0.00 0.00 178.00 176.63 3kro h LEU 283 N 0.43 0.71 -0.68 2.35 3.38 -1.30 -1.53 115.31 118.67 3kro h LEU 283 Ca 0.09 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3kro h LEU 283 Cb 0.34 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kro h LEU 283 CO 0.01 1.39 0.20 0.40 0.09 0.00 0.00 178.44 180.53 3kro h ILE 284 N 0.29 1.26 -0.52 1.22 2.04 -0.84 -1.59 117.51 119.36 3kro h ILE 284 Ca -0.11 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3kro h ILE 284 Cb 1.69 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3kro h ILE 284 CO 0.19 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.69 3kro h ALA 285 N 1.08 1.02 -0.41 1.87 0.00 -0.67 -2.38 119.26 119.77 3kro h ALA 285 Ca 0.22 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3kro h ALA 285 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kro h ALA 285 CO -0.00 0.61 -0.33 1.25 0.00 0.00 0.00 179.25 180.77 3kro h LEU 286 N 0.82 0.99 0.03 0.00 5.85 -1.09 0.91 115.31 122.82 3kro h LEU 286 Ca 0.15 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3kro h LEU 286 Cb 0.49 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3kro h LEU 286 CO 0.02 1.22 -0.01 0.00 -0.34 0.00 0.00 178.44 179.33 3kro h ALA 287 N 0.83 -0.04 -0.76 1.25 0.00 -1.16 0.44 119.26 119.82 3kro h ALA 287 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kro h ALA 287 Cb 0.92 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3kro h ALA 287 CO 0.09 -0.51 0.43 -0.91 0.00 0.00 0.00 179.25 178.34 3kro h ASN 288 N -0.06 0.93 -0.42 0.00 2.35 -1.33 -1.67 115.58 115.37 3kro h ASN 288 Ca -0.00 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3kro h ASN 288 Cb 0.05 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3kro h ASN 288 CO 0.01 0.73 0.13 0.22 -1.65 0.00 0.00 177.43 176.87 3kro h TYR 289 N 1.05 0.68 -0.55 1.19 5.03 -0.34 0.26 116.97 124.29 3kro h TYR 289 Ca 0.27 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 3kro h TYR 289 Cb 0.00 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.06 3kro h TYR 289 CO 0.01 0.62 0.15 0.82 -1.32 0.00 0.00 178.16 178.44 3kro h ILE 290 N 0.54 1.22 -0.19 1.81 2.04 -0.63 -1.65 117.51 120.65 3kro h ILE 290 Ca 0.14 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 65.02 3kro h ILE 290 Cb 0.26 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3kro h ILE 290 CO -0.00 0.30 -0.65 0.00 0.00 0.00 0.00 178.15 177.80 3kro h ALA 291 N 1.36 0.50 -0.01 1.87 0.00 -0.89 -3.35 119.26 118.74 3kro h ALA 291 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kro h ALA 291 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kro h ALA 291 CO -0.00 0.70 -0.69 0.66 0.00 0.00 0.00 179.25 179.91 3kro n TYR 292 N -3.95 0.00 -1.42 0.00 0.53 0.04 -5.00 117.16 107.37 3kro n TYR 292 Ca -0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.41 3kro n TYR 292 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.98 3kro n TYR 292 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3kro n ARG 293 N -0.92 0.43 0.09 -0.72 1.85 -0.63 -4.91 116.66 111.84 3kro n ARG 293 Ca 0.05 0.16 0.01 0.00 -1.00 0.00 0.00 57.85 57.07 3kro n ARG 293 Cb 0.33 -1.38 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 3kro n ARG 293 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3kro h ASP 294 N 0.71 0.00 0.00 2.89 3.32 -1.95 -3.51 116.42 117.88 3kro h ASP 294 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3kro h ASP 294 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3kro h ASP 294 CO 0.51 0.57 0.00 -0.46 -1.72 0.00 0.00 179.24 178.14