#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juj s ILE 2 N 0.00 4.70 -0.00 2.02 1.01 -1.26 -4.96 121.20 122.70 3juj s ILE 2 Ca 0.00 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.38 3juj s ILE 2 Cb 0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3juj s ILE 2 CO 0.00 0.35 0.04 0.29 0.00 0.00 0.00 174.94 175.62 3juj n LYS 3 N 2.83 0.47 -4.00 2.79 4.76 -1.26 -4.18 118.16 119.56 3juj n LYS 3 Ca -0.02 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 3juj n LYS 3 Cb 0.50 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.59 3juj n LYS 3 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3juj s LYS 4 N -2.13 3.16 -0.10 1.97 1.02 -1.26 -0.82 119.74 121.59 3juj s LYS 4 Ca -0.01 -0.52 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 3juj s LYS 4 Cb 0.01 -2.90 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 3juj s LYS 4 CO 0.08 0.61 0.06 0.00 -0.92 0.00 0.00 175.35 175.18 3juj s LEU 6 N 2.10 4.29 -0.50 0.00 0.20 0.90 -1.35 118.68 124.31 3juj s LEU 6 Ca 0.04 1.55 -0.00 0.00 0.69 0.00 0.00 54.13 56.40 3juj s LEU 6 Cb -0.14 -3.53 0.13 0.00 -0.43 0.00 0.00 46.19 42.23 3juj s LEU 6 CO -0.06 -0.36 0.28 -0.36 -0.29 0.00 0.00 176.35 175.56 3juj s PHE 7 N 1.59 3.46 -0.43 5.38 0.40 0.18 -1.93 117.98 126.63 3juj s PHE 7 Ca 0.49 -2.78 -0.16 0.00 -0.60 0.00 0.00 56.93 53.87 3juj s PHE 7 Cb -0.19 -3.08 -0.16 0.00 0.51 0.00 0.00 43.02 40.10 3juj s PHE 7 CO 0.21 -0.87 1.68 -2.30 0.70 0.00 0.00 175.22 174.64 3juj n PRO 8 N 3.80 0.91 -2.59 0.24 -0.02 -1.26 -2.01 135.00 134.08 3juj n PRO 8 Ca 0.04 -1.25 -0.43 0.00 -2.02 0.00 0.00 63.50 59.85 3juj n PRO 8 Cb 0.38 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3juj n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3juj n ALA 9 N 6.61 5.25 -0.00 3.55 0.00 -1.05 -4.51 120.51 130.37 3juj n ALA 9 Ca 0.37 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.32 3juj n ALA 9 Cb 0.26 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.95 3juj n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3juj n ALA 10 N 3.01 1.43 -0.40 0.00 0.00 -1.26 -3.91 120.51 119.38 3juj n ALA 10 Ca 0.35 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 3juj n ALA 10 Cb 0.35 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.02 3juj n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3juj n GLY 11 N 0.71 -3.25 0.00 0.00 0.00 -1.26 -4.56 105.19 96.83 3juj n GLY 11 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 45.03 3juj n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3juj n TYR 12 N -5.07 0.00 -2.39 1.61 0.53 -1.26 -4.95 117.16 105.63 3juj n TYR 12 Ca 0.10 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.77 3juj n TYR 12 Cb 0.44 -0.11 -0.01 0.00 -1.03 0.00 0.00 39.34 38.63 3juj n TYR 12 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3juj n GLY 13 N 1.46 -0.46 0.35 2.72 0.00 -1.26 -4.85 105.19 103.15 3juj n GLY 13 Ca 0.01 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.34 3juj n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3juj h THR 14 N 0.00 0.08 0.00 2.61 2.02 -1.94 0.95 112.91 116.63 3juj h THR 14 Ca -0.49 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3juj h THR 14 Cb 1.36 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3juj h THR 14 CO 0.58 0.02 0.00 0.54 0.37 0.00 0.00 175.52 177.03 3juj n ARG 15 N -5.12 0.04 -0.08 6.66 1.74 -1.26 -1.56 116.66 117.07 3juj n ARG 15 Ca 0.37 0.32 0.10 0.00 -0.77 0.00 0.00 57.85 57.87 3juj n ARG 15 Cb 1.25 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 31.33 3juj n ARG 15 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3juj n PHE 16 N -1.42 0.04 -1.35 -1.55 3.01 0.33 -4.78 117.46 111.74 3juj n PHE 16 Ca 0.02 -0.98 -0.33 0.00 1.01 0.00 0.00 57.45 57.17 3juj n PHE 16 Cb 0.07 -0.15 0.09 0.00 -0.01 0.00 0.00 39.48 39.48 3juj n PHE 16 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3juj s LEU 17 N -2.83 3.19 0.13 4.37 1.02 -0.60 -2.91 118.68 121.05 3juj s LEU 17 Ca 0.32 2.11 0.15 0.00 0.02 0.00 0.00 54.13 56.73 3juj s LEU 17 Cb 0.28 -4.56 -0.08 0.00 0.02 0.00 0.00 46.19 41.84 3juj s LEU 17 CO 0.03 -2.19 1.05 1.55 0.02 0.00 0.00 176.35 176.81 3juj h PRO 18 N -0.68 0.00 -1.04 1.29 0.13 -1.95 -3.45 132.00 126.30 3juj h PRO 18 Ca -0.46 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.94 3juj h PRO 18 Cb 1.26 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 3juj h PRO 18 CO 0.50 0.42 0.64 0.97 -0.23 0.00 0.00 178.00 180.30 3juj h ILE 19 N 0.00 0.51 0.00 -3.56 2.10 -1.94 0.95 117.51 115.56 3juj h ILE 19 Ca -0.11 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.68 3juj h ILE 19 Cb 1.55 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 3juj h ILE 19 CO 0.06 0.08 0.00 1.07 -1.08 0.00 0.00 178.15 178.28 3juj n THR 20 N -4.75 0.03 1.26 2.19 5.66 -1.14 -1.25 114.28 116.27 3juj n THR 20 Ca 0.27 0.01 0.13 0.00 -3.05 0.00 0.00 64.05 61.41 3juj n THR 20 Cb 0.85 -0.86 0.46 0.00 -1.55 0.00 0.00 70.33 69.23 3juj n THR 20 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3juj n LYS 21 N -1.01 0.61 0.00 1.09 2.85 0.33 -4.27 118.16 117.75 3juj n LYS 21 Ca 0.07 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 3juj n LYS 21 Cb 0.03 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 3juj n LYS 21 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3juj n THR 22 N -0.94 0.00 -3.64 0.58 -1.04 -0.69 -5.03 114.28 103.51 3juj n THR 22 Ca 0.12 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.75 3juj n THR 22 Cb 0.32 -0.46 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 3juj n THR 22 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3juj s ILE 23 N -1.63 4.84 0.43 12.58 -1.09 -0.38 -4.91 121.20 131.04 3juj s ILE 23 Ca 0.00 -0.16 -0.26 0.00 -2.23 0.00 0.00 60.65 58.00 3juj s ILE 23 Cb 0.00 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.41 3juj s ILE 23 CO 0.00 0.17 1.46 -0.81 -1.23 0.00 0.00 174.94 174.53 3juj n PRO 24 N 5.01 2.41 -0.29 2.79 -0.04 -1.26 -3.92 135.00 139.70 3juj n PRO 24 Ca -0.14 0.85 0.06 0.00 -0.04 0.00 0.00 63.50 64.23 3juj n PRO 24 Cb 0.51 -2.65 0.16 0.00 -0.04 0.00 0.00 33.50 31.48 3juj n PRO 24 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3juj h LYS 25 N 2.53 0.04 0.00 0.54 1.63 -1.89 0.38 116.57 119.80 3juj h LYS 25 Ca -0.51 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 3juj h LYS 25 Cb 1.26 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3juj h LYS 25 CO 0.62 0.03 0.00 0.39 -3.45 0.00 0.00 179.45 177.04 3juj n GLU 26 N -5.46 0.04 0.02 1.90 4.71 -1.26 -2.13 120.64 118.46 3juj n GLU 26 Ca 0.15 0.40 0.11 0.00 -0.01 0.00 0.00 57.16 57.81 3juj n GLU 26 Cb 0.51 -1.59 0.10 0.00 -1.01 0.00 0.00 31.44 29.45 3juj n GLU 26 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3juj n MET 27 N -1.66 0.17 -1.72 3.49 2.81 0.13 -0.64 117.12 119.72 3juj n MET 27 Ca 0.02 0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 3juj n MET 27 Cb 0.10 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 3juj n MET 27 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3juj n LEU 28 N -1.80 3.98 -4.79 4.03 4.77 -0.91 -4.50 117.00 117.77 3juj n LEU 28 Ca 0.03 1.06 -0.32 0.00 -0.03 0.00 0.00 56.01 56.76 3juj n LEU 28 Cb 0.40 -1.57 0.05 0.00 -2.33 0.00 0.00 43.42 39.97 3juj n LEU 28 CO 0.38 0.17 0.71 -2.16 -1.33 0.00 0.00 177.39 175.17 3juj s PRO 29 N 1.19 2.84 0.00 3.23 0.04 -1.26 -1.45 135.00 139.59 3juj s PRO 29 Ca 0.75 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3juj s PRO 29 Cb -0.51 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3juj s PRO 29 CO 0.32 -1.19 0.00 -0.89 0.04 0.00 0.00 177.00 175.29 3juj n ILE 30 N -2.83 0.00 0.00 0.56 2.08 0.18 -4.81 119.36 114.54 3juj n ILE 30 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 3juj n ILE 30 Cb 0.53 -0.69 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 3juj n ILE 30 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3juj n VAL 31 N -1.05 0.00 -0.89 1.39 0.31 -1.26 -4.82 118.33 112.01 3juj n VAL 31 Ca 0.00 0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.39 3juj n VAL 31 Cb 0.00 -0.83 0.06 0.00 -0.91 0.00 0.00 33.84 32.16 3juj n VAL 31 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3juj n ASP 32 N -1.34 1.58 -4.15 4.52 5.68 -1.26 -5.03 116.55 116.55 3juj n ASP 32 Ca 0.00 -2.33 -0.23 0.00 -0.50 0.00 0.00 54.79 51.73 3juj n ASP 32 Cb 0.00 -0.21 -0.15 0.00 -1.14 0.00 0.00 41.12 39.62 3juj n ASP 32 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3juj s LYS 33 N -1.50 1.23 0.40 0.11 1.02 -1.26 -5.06 119.74 114.69 3juj s LYS 33 Ca 0.13 -0.62 -0.25 0.00 0.02 0.00 0.00 55.97 55.26 3juj s LYS 33 Cb 0.12 -1.21 -0.08 0.00 -0.52 0.00 0.00 37.83 36.13 3juj s LYS 33 CO 0.01 0.33 1.13 -2.14 -0.92 0.00 0.00 175.35 173.76 3juj s PRO 34 N -0.54 4.07 0.43 -1.68 0.02 -1.26 0.51 135.00 136.55 3juj s PRO 34 Ca 0.06 1.73 0.25 0.00 0.02 0.00 0.00 61.00 63.06 3juj s PRO 34 Cb -0.06 -2.62 1.29 0.00 0.02 0.00 0.00 34.50 33.12 3juj s PRO 34 CO -0.00 -0.27 1.70 1.25 -0.33 0.00 0.00 177.00 179.35 3juj h LEU 35 N 2.57 0.32 -0.63 -5.54 5.85 -0.94 0.11 115.31 117.05 3juj h LEU 35 Ca -0.49 0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.20 3juj h LEU 35 Cb 1.23 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3juj h LEU 35 CO 0.62 -0.04 -0.67 -0.29 -0.34 0.00 0.00 178.44 177.72 3juj h ILE 36 N 0.22 1.45 -0.40 4.05 6.09 -1.17 -3.12 117.51 124.63 3juj h ILE 36 Ca 0.70 -2.31 -0.02 0.00 -1.37 0.00 0.00 64.86 61.85 3juj h ILE 36 Cb 2.07 2.26 -0.02 0.00 0.47 0.00 0.00 36.82 41.59 3juj h ILE 36 CO -0.33 0.66 0.16 -0.61 -3.07 0.00 0.00 178.15 174.95 3juj h GLN 37 N 0.00 0.59 -0.18 2.19 4.15 -1.05 -0.20 115.11 120.61 3juj h GLN 37 Ca -0.01 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.36 3juj h GLN 37 Cb 1.20 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.73 3juj h GLN 37 CO 0.09 0.56 -0.30 1.88 -1.93 0.00 0.00 178.83 179.13 3juj h TYR 38 N 0.49 -0.82 -0.17 3.99 0.05 -1.53 0.19 116.97 119.18 3juj h TYR 38 Ca 0.13 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.99 3juj h TYR 38 Cb 0.19 0.39 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 3juj h TYR 38 CO -0.00 -0.38 -0.07 0.00 -1.05 0.00 0.00 178.16 176.67 3juj h ALA 39 N 0.54 0.09 -0.46 3.88 0.00 -1.44 -1.33 119.26 120.53 3juj h ALA 39 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3juj h ALA 39 Cb 0.52 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3juj h ALA 39 CO -0.37 -0.50 0.20 0.28 0.00 0.00 0.00 179.25 178.85 3juj h VAL 40 N -0.04 1.17 -0.30 0.00 2.07 -0.55 0.12 116.25 118.73 3juj h VAL 40 Ca 0.09 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 3juj h VAL 40 Cb 0.18 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3juj h VAL 40 CO -0.20 0.20 -0.25 -0.08 0.02 0.00 0.00 177.57 177.26 3juj h GLU 41 N 0.65 0.58 -0.32 1.57 4.57 0.05 -0.61 114.58 121.08 3juj h GLU 41 Ca 0.16 -0.23 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 3juj h GLU 41 Cb 0.11 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3juj h GLU 41 CO -0.02 0.78 -0.32 1.49 -1.18 0.00 0.00 179.01 179.77 3juj h GLU 42 N 0.51 0.78 0.18 1.92 4.81 -0.41 -1.22 114.58 121.15 3juj h GLU 42 Ca 0.07 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3juj h GLU 42 Cb 0.70 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3juj h GLU 42 CO 0.05 1.04 -0.16 0.00 -0.73 0.00 0.00 179.01 179.21 3juj h ALA 43 N 0.73 -0.33 -0.00 2.92 0.00 -0.68 -1.68 119.26 120.21 3juj h ALA 43 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3juj h ALA 43 Cb 0.89 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3juj h ALA 43 CO 0.08 -0.71 -0.27 1.98 0.00 0.00 0.00 179.25 180.34 3juj h MET 44 N -0.36 -0.39 -0.60 0.00 1.85 -1.06 -1.05 114.93 113.32 3juj h MET 44 Ca -0.00 0.03 0.17 0.00 -0.61 0.00 0.00 59.70 59.29 3juj h MET 44 Cb 0.33 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.42 3juj h MET 44 CO -0.03 -0.26 0.47 0.93 -0.40 0.00 0.00 176.91 177.62 3juj h GLU 45 N -0.41 0.00 0.00 0.39 5.08 -1.02 0.42 114.58 119.04 3juj h GLU 45 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3juj h GLU 45 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3juj h GLU 45 CO -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.78 3juj n ALA 46 N -2.58 2.18 0.00 3.43 0.00 -0.42 -4.89 120.51 118.22 3juj n ALA 46 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3juj n ALA 46 Cb 0.71 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3juj n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3juj n GLY 47 N 1.15 1.04 3.79 0.00 0.00 0.15 -4.82 105.19 106.48 3juj n GLY 47 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3juj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juj n GLU 49 N 0.49 2.31 -3.95 0.00 1.02 0.00 -4.35 120.64 116.16 3juj n GLU 49 Ca 0.02 -0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 3juj n GLU 49 Cb 0.51 -1.09 -0.13 0.00 -0.02 0.00 0.00 31.44 30.70 3juj n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3juj s VAL 50 N -2.15 3.84 -0.61 2.62 1.01 -0.56 -0.56 120.40 123.99 3juj s VAL 50 Ca -0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3juj s VAL 50 Cb 0.02 -2.75 0.16 0.00 0.00 0.00 0.00 36.38 33.80 3juj s VAL 50 CO 0.16 0.41 0.50 -0.04 0.00 0.00 0.00 175.10 176.12 3juj s MET 51 N 1.29 2.87 -0.27 2.72 -1.94 0.44 -1.81 119.30 122.61 3juj s MET 51 Ca 0.04 -2.10 -0.27 0.00 -1.71 0.00 0.00 55.69 51.65 3juj s MET 51 Cb -0.15 -4.08 0.01 0.00 2.01 0.00 0.00 34.83 32.63 3juj s MET 51 CO 0.01 -1.24 0.96 0.00 -0.01 0.00 0.00 175.02 174.74 3juj s ALA 52 N 0.78 3.59 -0.22 3.03 0.00 -0.46 -2.10 121.76 126.39 3juj s ALA 52 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3juj s ALA 52 Cb -0.21 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.45 3juj s ALA 52 CO -0.03 -1.18 -0.12 0.42 0.00 0.00 0.00 175.76 174.85 3juj s ILE 53 N 3.21 2.46 0.18 0.00 1.01 0.19 0.51 121.20 128.77 3juj s ILE 53 Ca 0.40 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 3juj s ILE 53 Cb -0.14 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.05 3juj s ILE 53 CO 0.10 0.30 0.84 -0.69 0.00 0.00 0.00 174.94 175.50 3juj s VAL 54 N 1.28 4.30 0.28 2.92 1.01 -0.85 -2.63 120.40 126.71 3juj s VAL 54 Ca 0.01 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.88 3juj s VAL 54 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3juj s VAL 54 CO -0.08 0.49 0.21 0.42 0.00 0.00 0.00 175.10 176.14 3juj s THR 55 N -1.00 0.05 0.00 3.92 -4.23 -0.96 -2.53 115.64 110.89 3juj s THR 55 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3juj s THR 55 Cb -0.24 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3juj s THR 55 CO 0.28 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 3juj n GLY 56 N -0.49 4.11 0.19 3.99 0.00 -1.25 -0.34 105.19 111.40 3juj n GLY 56 Ca 0.04 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.44 3juj n GLY 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3juj h ARG 57 N 0.00 0.00 -2.02 1.61 2.43 -1.93 -3.35 114.38 111.12 3juj h ARG 57 Ca 0.00 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 58.42 3juj h ARG 57 Cb 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.29 3juj h ARG 57 CO 0.00 0.13 1.02 0.09 -1.51 0.00 0.00 179.97 179.70 3juj n ASN 58 N -3.10 7.44 0.14 -3.80 4.13 -1.26 -4.67 115.26 114.14 3juj n ASN 58 Ca 0.03 -3.77 -0.23 0.00 1.68 0.00 0.00 54.58 52.29 3juj n ASN 58 Cb 0.59 -1.09 -0.16 0.00 -1.54 0.00 0.00 39.78 37.58 3juj n ASN 58 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 3juj h LYS 59 N 3.11 0.48 -0.39 3.52 5.09 -1.95 -3.39 116.57 123.04 3juj h LYS 59 Ca 0.55 -0.83 0.03 0.00 0.09 0.00 0.00 60.65 60.50 3juj h LYS 59 Cb 0.10 0.31 -0.05 0.00 0.10 0.00 0.00 32.23 32.69 3juj h LYS 59 CO 1.37 1.39 -0.23 -2.13 -2.09 0.00 0.00 179.45 177.77 3juj n ARG 60 N -3.67 -0.17 -0.09 0.07 3.00 -1.26 0.13 116.66 114.67 3juj n ARG 60 Ca -0.16 0.59 -0.06 0.00 -0.00 0.00 0.00 57.85 58.22 3juj n ARG 60 Cb 1.09 -0.86 0.00 0.00 0.00 0.00 0.00 32.46 32.70 3juj n ARG 60 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3juj h SER 61 N 0.00 -0.21 -0.76 6.15 0.02 -1.91 0.27 113.55 117.11 3juj h SER 61 Ca 0.06 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3juj h SER 61 Cb 0.16 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3juj h SER 61 CO -0.36 -0.07 0.26 0.25 -1.14 0.00 0.00 176.83 175.77 3juj h LEU 62 N 0.05 1.10 -0.01 5.07 6.46 0.88 -2.30 115.31 126.56 3juj h LEU 62 Ca 0.16 -0.20 -0.24 0.00 -0.12 0.00 0.00 57.88 57.48 3juj h LEU 62 Cb 0.23 -0.29 0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3juj h LEU 62 CO -0.30 1.00 -0.93 -0.33 -0.62 0.00 0.00 178.44 177.27 3juj h GLU 63 N 1.13 0.64 -0.78 1.25 5.08 -0.42 -3.29 114.58 118.19 3juj h GLU 63 Ca 0.25 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3juj h GLU 63 Cb 0.29 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3juj h GLU 63 CO -0.01 1.27 0.42 -0.44 -1.00 0.00 0.00 179.01 179.26 3juj h ASP 64 N 0.28 0.97 -0.89 1.42 5.19 -0.43 -2.78 116.42 120.18 3juj h ASP 64 Ca -0.11 -0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.29 3juj h ASP 64 Cb 1.60 -0.25 -0.06 0.00 0.18 0.00 0.00 39.33 40.80 3juj h ASP 64 CO 0.18 0.78 0.58 0.22 -3.12 0.00 0.00 179.24 177.88 3juj h TYR 65 N 1.09 0.99 -0.67 4.55 3.20 -1.48 -2.30 116.97 122.36 3juj h TYR 65 Ca 0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3juj h TYR 65 Cb 0.03 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3juj h TYR 65 CO 0.01 0.49 0.00 1.19 -1.64 0.00 0.00 178.16 178.21 3juj n PHE 66 N -4.51 0.93 -3.69 -3.82 0.99 -1.06 -4.92 117.46 101.37 3juj n PHE 66 Ca 0.14 -0.45 -0.30 0.00 -0.00 0.00 0.00 57.45 56.84 3juj n PHE 66 Cb 0.25 -0.02 -0.04 0.00 -1.00 0.00 0.00 39.48 38.67 3juj n PHE 66 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3juj s ASP 67 N -0.99 6.45 -0.11 4.37 -0.00 -0.87 -4.87 116.67 120.64 3juj s ASP 67 Ca 0.45 0.51 -0.26 0.00 -0.00 0.00 0.00 52.55 53.25 3juj s ASP 67 Cb 0.24 -2.06 -0.02 0.00 -0.00 0.00 0.00 42.92 41.08 3juj s ASP 67 CO 0.30 0.03 0.82 0.28 -0.00 0.00 0.00 175.17 176.60 3juj s THR 68 N -1.71 4.92 0.23 -1.27 -1.32 -1.26 -5.01 115.64 110.23 3juj s THR 68 Ca 0.40 1.66 0.05 0.00 -1.21 0.00 0.00 61.69 62.59 3juj s THR 68 Cb -0.12 -4.14 -0.02 0.00 -1.51 0.00 0.00 72.50 66.71 3juj s THR 68 CO 0.26 0.11 0.19 -1.54 -2.21 0.00 0.00 174.62 171.44 3juj n SER 69 N 4.59 -0.41 0.00 8.08 3.41 -1.26 -5.08 113.62 122.95 3juj n SER 69 Ca 0.03 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 3juj n SER 69 Cb 0.50 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 3juj n SER 69 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3juj n TYR 70 N -0.45 0.00 0.44 7.33 4.02 -1.26 -4.78 117.16 122.46 3juj n TYR 70 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.77 3juj n TYR 70 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.66 3juj n TYR 70 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3juj h GLU 71 N 0.00 -1.08 -0.68 -0.72 4.57 -2.00 -2.93 114.58 111.74 3juj h GLU 71 Ca 0.00 0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3juj h GLU 71 Cb 0.00 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 3juj h GLU 71 CO 0.00 -0.72 0.06 1.51 -1.18 0.00 0.00 179.01 178.68 3juj n ILE 72 N -5.01 2.45 0.00 2.32 3.06 -1.26 -4.23 119.36 116.69 3juj n ILE 72 Ca -0.14 -1.26 0.00 0.00 -2.50 0.00 0.00 62.75 58.85 3juj n ILE 72 Cb 0.44 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.29 3juj n ILE 72 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3juj n GLU 73 N 0.39 0.00 0.15 9.51 2.13 -1.11 -4.73 120.64 126.98 3juj n GLU 73 Ca 0.27 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.17 3juj n GLU 73 Cb 1.12 0.00 0.45 0.00 0.27 0.00 0.00 31.44 33.28 3juj n GLU 73 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 3juj n HIS 74 N 0.00 0.56 0.00 4.31 1.44 -1.20 -4.14 115.22 116.19 3juj n HIS 74 Ca 0.00 0.29 0.00 0.00 -2.01 0.00 0.00 57.72 56.00 3juj n HIS 74 Cb 0.00 -0.86 0.00 0.00 0.12 0.00 0.00 29.99 29.25 3juj n HIS 74 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 3juj n GLN 75 N -2.11 0.00 -0.51 -1.40 0.00 -1.26 -3.57 117.38 108.53 3juj n GLN 75 Ca -0.01 0.05 -0.11 0.00 -0.00 0.00 0.00 57.00 56.93 3juj n GLN 75 Cb 0.17 -0.58 -0.05 0.00 0.00 0.00 0.00 30.24 29.79 3juj n GLN 75 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 3juj n ILE 76 N -0.13 1.60 -0.51 1.69 0.00 -1.26 -4.44 119.36 116.31 3juj n ILE 76 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 62.75 61.82 3juj n ILE 76 Cb 0.00 -1.85 0.24 0.00 0.00 0.00 0.00 39.64 38.03 3juj n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3juj n GLN 77 N 3.51 3.13 0.06 9.51 6.02 -1.23 -3.86 117.38 134.52 3juj n GLN 77 Ca 0.26 -2.31 0.08 0.00 -0.01 0.00 0.00 57.00 55.02 3juj n GLN 77 Cb 0.27 -2.00 -0.05 0.00 1.02 0.00 0.00 30.24 29.48 3juj n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3juj n GLY 78 N -0.01 -1.31 3.93 1.08 0.00 -1.26 -4.88 105.19 102.74 3juj n GLY 78 Ca 0.30 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3juj n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3juj s THR 79 N -3.24 5.27 0.66 2.61 2.01 -1.25 -4.96 115.64 116.74 3juj s THR 79 Ca -0.03 -0.42 0.20 0.00 0.31 0.00 0.00 61.69 61.75 3juj s THR 79 Cb 0.10 -3.70 0.21 0.00 0.01 0.00 0.00 72.50 69.12 3juj s THR 79 CO 0.81 -0.06 1.60 -0.55 -0.69 0.00 0.00 174.62 175.73 3juj h ASN 80 N 2.35 0.00 -1.25 3.53 -1.07 -1.90 -3.36 115.58 113.88 3juj h ASN 80 Ca -0.47 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.39 3juj h ASN 80 Cb 1.18 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 37.35 3juj h ASN 80 CO 0.70 0.00 1.23 -0.54 0.07 0.00 0.00 177.43 178.89 3juj s LYS 81 N -4.11 3.20 0.00 4.14 3.01 -1.26 -3.51 119.74 121.21 3juj s LYS 81 Ca -0.02 -0.66 0.00 0.00 -1.01 0.00 0.00 55.97 54.28 3juj s LYS 81 Cb 0.06 -5.05 0.00 0.00 -1.01 0.00 0.00 37.83 31.84 3juj s LYS 81 CO 0.21 -2.54 0.00 -0.85 0.51 0.00 0.00 175.35 172.68 3juj n GLU 82 N 8.97 0.00 -0.01 1.68 0.28 -1.26 -4.61 120.64 125.69 3juj n GLU 82 Ca 0.30 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.35 3juj n GLU 82 Cb 0.50 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.26 3juj n GLU 82 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3juj n ASN 83 N 0.00 1.78 0.13 -1.84 3.02 -1.23 -4.21 115.26 112.91 3juj n ASN 83 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3juj n ASN 83 Cb 0.30 1.54 0.48 0.00 -0.61 0.00 0.00 39.78 41.48 3juj n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3juj h ALA 84 N 1.21 1.00 -0.02 5.41 0.00 -1.87 -2.73 119.26 122.25 3juj h ALA 84 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3juj h ALA 84 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3juj h ALA 84 CO 0.00 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.47 3juj n LEU 85 N -2.31 2.64 0.09 0.00 4.77 -1.26 -4.63 117.00 116.30 3juj n LEU 85 Ca 0.03 -0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 54.93 3juj n LEU 85 Cb 0.29 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3juj n LEU 85 CO 0.23 0.45 0.72 0.11 -1.33 0.00 0.00 177.39 177.57 3juj h LYS 86 N 3.88 -0.37 0.75 3.23 1.57 -1.68 -1.57 116.57 122.38 3juj h LYS 86 Ca 0.00 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3juj h LYS 86 Cb 0.86 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.26 3juj h LYS 86 CO 0.00 -0.25 -0.36 0.66 -0.57 0.00 0.00 179.45 178.93 3juj h SER 87 N -0.38 -0.85 -0.55 0.86 4.64 -1.82 -1.34 113.55 114.11 3juj h SER 87 Ca 0.04 0.03 0.09 0.00 -0.47 0.00 0.00 61.79 61.48 3juj h SER 87 Cb 0.43 0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.67 3juj h SER 87 CO -0.15 -0.58 0.16 -0.29 -0.87 0.00 0.00 176.83 175.09 3juj h ILE 88 N -1.06 0.74 -0.70 0.95 6.09 -1.86 0.79 117.51 122.46 3juj h ILE 88 Ca -0.10 -0.11 0.05 0.00 -1.37 0.00 0.00 64.86 63.33 3juj h ILE 88 Cb 0.77 0.40 -0.05 0.00 0.47 0.00 0.00 36.82 38.41 3juj h ILE 88 CO 0.17 0.06 0.41 -0.09 -3.07 0.00 0.00 178.15 175.63 3juj h ARG 89 N 0.31 0.75 -0.32 2.19 2.43 -1.30 0.69 114.38 119.14 3juj h ARG 89 Ca 0.27 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3juj h ARG 89 Cb 0.35 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3juj h ARG 89 CO -0.32 0.50 -0.09 -0.97 -1.51 0.00 0.00 179.97 177.58 3juj h ASN 90 N 0.77 0.51 0.04 -3.80 -0.73 0.04 -1.77 115.58 110.64 3juj h ASN 90 Ca 0.31 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.35 3juj h ASN 90 Cb 0.14 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.59 3juj h ASN 90 CO -0.16 0.65 -0.02 0.40 -0.37 0.00 0.00 177.43 177.93 3juj h ILE 91 N 0.49 1.11 -0.96 2.57 2.04 0.59 -1.44 117.51 121.91 3juj h ILE 91 Ca 0.09 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.57 3juj h ILE 91 Cb 0.46 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 3juj h ILE 91 CO 0.03 0.12 0.62 0.40 0.00 0.00 0.00 178.15 179.31 3juj h ILE 92 N -0.26 0.99 -0.01 -0.67 2.04 -0.61 0.35 117.51 119.34 3juj h ILE 92 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3juj h ILE 92 Cb 0.24 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3juj h ILE 92 CO 0.01 0.19 -0.15 -1.84 0.00 0.00 0.00 178.15 176.36 3juj n GLU 93 N -4.54 1.21 -0.02 2.37 0.28 -0.69 -4.18 120.64 115.07 3juj n GLU 93 Ca 0.16 -0.72 0.01 0.00 -0.16 0.00 0.00 57.16 56.45 3juj n GLU 93 Cb 0.28 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.60 3juj n GLU 93 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3juj n LYS 94 N -0.26 1.23 -3.93 3.44 5.02 -0.55 -5.04 118.16 118.06 3juj n LYS 94 Ca 0.15 -0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 3juj n LYS 94 Cb 0.36 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 34.13 3juj n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3juj s PHE 97 N 1.24 3.52 -0.02 0.00 0.40 -1.26 -0.42 117.98 121.43 3juj s PHE 97 Ca -0.03 0.77 -0.09 0.00 -0.60 0.00 0.00 56.93 56.98 3juj s PHE 97 Cb -0.17 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.21 3juj s PHE 97 CO -0.08 0.43 0.20 -1.54 0.70 0.00 0.00 175.22 174.92 3juj s SER 98 N -2.08 -0.09 0.13 1.36 1.04 -0.89 -4.92 113.70 108.25 3juj s SER 98 Ca 0.39 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.89 3juj s SER 98 Cb -0.13 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3juj s SER 98 CO 0.21 -0.31 -0.10 -0.31 0.98 0.00 0.00 173.24 173.70 3juj s TYR 99 N -0.99 1.18 -0.17 5.02 1.51 -1.26 -0.64 117.35 122.00 3juj s TYR 99 Ca -0.11 -0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 55.16 3juj s TYR 99 Cb -0.06 -0.62 0.09 0.00 -0.11 0.00 0.00 41.96 41.26 3juj s TYR 99 CO 0.02 0.04 0.26 0.54 -1.11 0.00 0.00 175.55 175.30 3juj s VAL 100 N -3.14 -0.41 0.05 0.71 0.11 -1.08 -4.95 120.40 111.69 3juj s VAL 100 Ca 0.14 0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.96 3juj s VAL 100 Cb 0.02 -0.59 -0.07 0.00 -1.53 0.00 0.00 36.38 34.21 3juj s VAL 100 CO -0.00 -0.04 1.43 -0.60 -3.33 0.00 0.00 175.10 172.56 3juj s ARG 101 N 2.40 4.28 -0.11 1.54 6.06 -1.26 -2.26 118.95 129.61 3juj s ARG 101 Ca 0.05 2.05 -0.08 0.00 -2.50 0.00 0.00 55.73 55.25 3juj s ARG 101 Cb -0.14 -3.48 -0.04 0.00 0.06 0.00 0.00 34.95 31.35 3juj s ARG 101 CO -0.11 -0.55 0.17 -1.14 -2.50 0.00 0.00 175.30 171.17 3juj s GLN 102 N 2.03 3.51 0.14 5.12 0.74 0.54 -4.92 119.66 126.82 3juj s GLN 102 Ca 0.65 -0.07 -0.11 0.00 0.05 0.00 0.00 55.36 55.88 3juj s GLN 102 Cb -0.34 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3juj s GLN 102 CO 0.28 0.76 1.46 1.57 -0.55 0.00 0.00 175.29 178.82 3juj h LYS 103 N 4.98 0.92 -1.73 1.67 5.09 -1.95 -3.42 116.57 122.12 3juj h LYS 103 Ca -0.54 -0.50 0.09 0.00 0.09 0.00 0.00 60.65 59.79 3juj h LYS 103 Cb 1.23 0.02 -0.22 0.00 0.10 0.00 0.00 32.23 33.36 3juj h LYS 103 CO 0.59 1.15 0.07 1.14 -2.09 0.00 0.00 179.45 180.30 3juj s GLN 104 N -4.36 0.53 -0.04 0.07 1.03 -1.26 -5.03 119.66 110.60 3juj s GLN 104 Ca -0.11 1.12 -0.34 0.00 0.04 0.00 0.00 55.36 56.06 3juj s GLN 104 Cb 0.11 0.44 -0.12 0.00 0.03 0.00 0.00 33.01 33.47 3juj s GLN 104 CO 0.88 -0.15 1.83 -1.33 -2.54 0.00 0.00 175.29 173.98 3juj n MET 105 N 4.73 2.18 -0.93 9.60 2.81 -1.26 -4.81 117.12 129.44 3juj n MET 105 Ca -0.15 0.80 0.05 0.00 -1.81 0.00 0.00 57.70 56.59 3juj n MET 105 Cb 0.54 -2.63 0.09 0.00 -0.71 0.00 0.00 33.22 30.51 3juj n MET 105 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3juj n LYS 106 N 6.06 0.65 0.00 0.03 4.76 -1.26 -5.10 118.16 123.30 3juj n LYS 106 Ca 0.22 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.30 3juj n LYS 106 Cb 0.29 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 3juj n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3juj n GLY 107 N -0.30 1.91 0.21 0.72 0.00 -1.26 -3.89 105.19 102.58 3juj n GLY 107 Ca 0.11 -2.01 0.03 0.00 0.00 0.00 0.00 46.02 44.15 3juj n GLY 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3juj h LEU 108 N 0.00 0.08 0.25 0.99 5.85 -1.98 -1.46 115.31 119.04 3juj h LEU 108 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3juj h LEU 108 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3juj h LEU 108 CO 0.00 0.34 -0.12 1.23 -0.34 0.00 0.00 178.44 179.55 3juj h GLY 109 N 0.86 -0.35 1.16 3.75 0.00 -1.84 -0.14 103.07 106.50 3juj h GLY 109 Ca 0.01 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.52 3juj h GLY 109 CO 0.04 -0.13 0.43 0.84 0.00 0.00 0.00 176.54 177.72 3juj h HIS 110 N -0.63 0.70 -0.22 5.60 -0.00 -1.61 -2.08 115.15 116.90 3juj h HIS 110 Ca -0.03 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.29 3juj h HIS 110 Cb 0.45 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 3juj h HIS 110 CO 0.02 0.38 -0.10 0.00 -0.00 0.00 0.00 177.93 178.23 3juj h ALA 111 N 1.64 0.31 -0.45 5.26 0.00 -1.11 -2.56 119.26 122.35 3juj h ALA 111 Ca 0.28 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3juj h ALA 111 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3juj h ALA 111 CO -0.08 0.15 0.32 0.82 0.00 0.00 0.00 179.25 180.45 3juj h ILE 112 N 0.17 0.82 0.41 0.00 1.08 -0.34 -1.45 117.51 118.19 3juj h ILE 112 Ca 0.05 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3juj h ILE 112 Cb 0.59 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3juj h ILE 112 CO 0.03 0.02 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.24 3juj h LEU 113 N 0.09 -0.46 -0.78 1.44 3.38 -1.14 -3.16 115.31 114.67 3juj h LEU 113 Ca 0.21 -0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.28 3juj h LEU 113 Cb 0.72 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 3juj h LEU 113 CO -0.02 -0.03 0.05 0.74 0.09 0.00 0.00 178.44 179.27 3juj h THR 114 N -1.04 0.33 -0.00 0.22 2.02 -1.06 0.51 112.91 113.87 3juj h THR 114 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3juj h THR 114 Cb 0.52 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3juj h THR 114 CO 0.09 0.02 0.24 1.23 0.37 0.00 0.00 175.52 177.47 3juj h GLY 115 N 0.13 0.00 -0.02 2.16 0.00 -1.26 -2.24 103.07 101.83 3juj h GLY 115 Ca 0.44 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.99 3juj h GLY 115 CO -0.67 0.00 0.61 -2.09 0.00 0.00 0.00 176.54 174.39 3juj h GLU 116 N 0.00 0.64 0.00 4.80 4.81 0.06 0.71 114.58 125.59 3juj h GLU 116 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3juj h GLU 116 Cb 0.47 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3juj h GLU 116 CO -0.00 0.42 0.07 0.00 -0.73 0.00 0.00 179.01 178.78 3juj n ALA 117 N -2.32 0.89 -0.01 2.92 0.00 -0.84 0.17 120.51 121.31 3juj n ALA 117 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 3juj n ALA 117 Cb 0.67 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 3juj n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3juj n LEU 118 N -1.36 0.00 -0.01 0.00 4.77 0.24 -4.69 117.00 115.95 3juj n LEU 118 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3juj n LEU 118 Cb 0.07 0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 3juj n LEU 118 CO 0.00 0.06 -0.66 -0.38 -1.33 0.00 0.00 177.39 175.09 3juj n ILE 119 N -2.06 1.68 0.00 -0.08 -0.00 -0.60 -5.00 119.36 113.29 3juj n ILE 119 Ca -0.04 -0.74 0.00 0.00 -0.00 0.00 0.00 62.75 61.97 3juj n ILE 119 Cb 0.55 -1.31 0.00 0.00 -0.00 0.00 0.00 39.64 38.88 3juj n ILE 119 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3juj n GLY 120 N 1.74 2.32 2.41 7.39 0.00 0.46 -4.25 105.19 115.26 3juj n GLY 120 Ca -0.23 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 3juj n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3juj n ASN 121 N 9.59 0.39 -3.53 1.61 2.85 -1.26 -4.90 115.26 120.01 3juj n ASN 121 Ca 0.00 -2.62 -0.13 0.00 -0.11 0.00 0.00 54.58 51.72 3juj n ASN 121 Cb 0.00 -0.61 -0.05 0.00 1.24 0.00 0.00 39.78 40.37 3juj n ASN 121 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3juj s GLU 122 N -0.59 0.84 0.50 1.20 -1.05 -1.26 -4.95 118.70 113.38 3juj s GLU 122 Ca 0.33 0.05 -0.21 0.00 -0.15 0.00 0.00 54.97 54.98 3juj s GLU 122 Cb 0.07 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 34.06 3juj s GLU 122 CO -0.16 -0.29 0.81 -0.35 0.95 0.00 0.00 175.26 176.22 3juj n PRO 123 N 0.51 0.92 -3.71 -4.83 -0.04 -1.26 -4.26 135.00 122.33 3juj n PRO 123 Ca -0.13 0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.55 3juj n PRO 123 Cb 0.59 -1.91 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 3juj n PRO 123 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3juj s PHE 124 N -1.47 -0.19 0.33 0.54 -0.12 -0.33 -4.72 117.98 112.02 3juj s PHE 124 Ca 0.68 0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 57.61 3juj s PHE 124 Cb -0.50 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.00 3juj s PHE 124 CO 0.54 -0.54 0.59 0.00 -0.05 0.00 0.00 175.22 175.76 3juj s ALA 125 N -2.55 3.60 -0.01 1.99 0.00 -0.73 -0.91 121.76 123.15 3juj s ALA 125 Ca -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3juj s ALA 125 Cb -0.01 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.80 3juj s ALA 125 CO -0.03 0.11 -0.06 0.08 0.00 0.00 0.00 175.76 175.86 3juj s VAL 126 N -2.22 0.48 -0.02 0.00 1.01 -0.69 -0.07 120.40 118.89 3juj s VAL 126 Ca 0.44 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3juj s VAL 126 Cb -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3juj s VAL 126 CO 0.33 0.16 -0.02 -0.63 0.00 0.00 0.00 175.10 174.94 3juj s ILE 127 N 0.12 0.24 -0.50 2.22 1.01 -0.81 -2.07 121.20 121.41 3juj s ILE 127 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 3juj s ILE 127 Cb -0.05 -0.26 0.13 0.00 0.01 0.00 0.00 42.46 42.29 3juj s ILE 127 CO -0.00 0.11 0.35 -0.76 0.00 0.00 0.00 174.94 174.64 3juj s LEU 128 N 0.41 5.55 0.64 2.97 1.43 -1.00 -3.98 118.68 124.71 3juj s LEU 128 Ca -0.04 -2.17 0.07 0.00 -1.03 0.00 0.00 54.13 50.96 3juj s LEU 128 Cb -0.07 -1.94 0.39 0.00 0.03 0.00 0.00 46.19 44.59 3juj s LEU 128 CO -0.01 -0.58 1.20 0.00 0.23 0.00 0.00 176.35 177.19 3juj h ALA 129 N 8.03 1.81 0.00 4.21 0.00 -1.90 0.57 119.26 131.99 3juj h ALA 129 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3juj h ALA 129 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3juj h ALA 129 CO 0.78 -0.81 -0.06 -0.44 0.00 0.00 0.00 179.25 178.72 3juj h ASP 130 N 0.00 0.00 -3.57 0.00 5.19 -1.92 -3.34 116.42 112.78 3juj h ASP 130 Ca 0.00 0.00 -0.77 0.00 -0.62 0.00 0.00 57.03 55.64 3juj h ASP 130 Cb 1.65 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.91 3juj h ASP 130 CO 0.00 0.06 0.09 -1.81 -3.12 0.00 0.00 179.24 174.46 3juj s ASP 131 N -5.82 6.63 -0.46 6.45 1.01 0.20 -1.11 116.67 123.57 3juj s ASP 131 Ca 0.01 -2.45 -0.28 0.00 0.71 0.00 0.00 52.55 50.54 3juj s ASP 131 Cb 0.10 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.83 3juj s ASP 131 CO 0.56 -0.67 1.09 -0.22 0.21 0.00 0.00 175.17 176.14 3juj s LEU 132 N 0.67 3.73 -0.03 1.23 2.96 -0.76 -4.85 118.68 121.63 3juj s LEU 132 Ca 0.16 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3juj s LEU 132 Cb -0.14 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3juj s LEU 132 CO -0.06 -1.18 -0.02 0.00 -1.32 0.00 0.00 176.35 173.77 3juj s ILE 134 N -0.99 0.02 -0.08 0.00 2.07 0.85 -4.94 121.20 118.13 3juj s ILE 134 Ca 0.17 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 3juj s ILE 134 Cb -0.11 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.36 3juj s ILE 134 CO 0.07 -0.10 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.30 3juj s SER 135 N -0.28 2.19 -0.41 4.50 0.15 -1.26 -0.83 113.70 117.76 3juj s SER 135 Ca -0.03 -0.38 -0.28 0.00 0.70 0.00 0.00 55.95 55.96 3juj s SER 135 Cb -0.02 -1.00 -0.00 0.00 -1.71 0.00 0.00 66.02 63.28 3juj s SER 135 CO 0.00 0.05 1.62 -1.38 1.20 0.00 0.00 173.24 174.73 3juj s HIS 136 N 0.69 2.06 -1.47 3.44 -3.43 -1.26 -3.97 115.29 111.35 3juj s HIS 136 Ca -0.13 0.64 -0.06 0.00 -0.80 0.00 0.00 55.06 54.70 3juj s HIS 136 Cb -0.16 -4.22 0.01 0.00 -1.43 0.00 0.00 32.58 26.78 3juj s HIS 136 CO 0.03 -2.43 0.12 -0.40 -2.00 0.00 0.00 174.74 170.07 3juj n ASP 137 N 9.91 0.04 -3.74 7.38 5.68 -1.26 -4.94 116.55 129.62 3juj n ASP 137 Ca 0.19 -1.27 -0.13 0.00 -0.50 0.00 0.00 54.79 53.08 3juj n ASP 137 Cb 0.48 -1.57 -0.08 0.00 -1.14 0.00 0.00 41.12 38.81 3juj n ASP 137 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3juj s HIS 138 N -4.22 -0.19 0.89 2.11 3.76 -1.25 -5.15 115.29 111.23 3juj s HIS 138 Ca 0.09 0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 55.08 3juj s HIS 138 Cb -0.05 0.12 0.11 0.00 1.11 0.00 0.00 32.58 33.88 3juj s HIS 138 CO 0.98 -0.46 1.06 -2.30 -0.85 0.00 0.00 174.74 173.17 3juj n PRO 139 N 0.93 -0.25 -0.66 8.40 -0.02 -1.26 -4.74 135.00 137.40 3juj n PRO 139 Ca -0.20 -0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.96 3juj n PRO 139 Cb 0.58 -2.32 0.18 0.00 -0.02 0.00 0.00 33.50 31.92 3juj n PRO 139 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3juj n SER 140 N -3.53 -1.92 -0.08 2.55 3.41 -1.26 -4.71 113.62 108.09 3juj n SER 140 Ca 0.12 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 3juj n SER 140 Cb 0.52 -1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 63.28 3juj n SER 140 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3juj h VAL 141 N -2.05 1.31 -0.30 -3.33 2.07 -1.91 -2.42 116.25 109.61 3juj h VAL 141 Ca -0.52 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 3juj h VAL 141 Cb 1.33 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3juj h VAL 141 CO 0.40 0.38 0.07 0.25 0.02 0.00 0.00 177.57 178.69 3juj h LEU 142 N 0.20 0.40 0.27 2.57 7.12 -1.91 -1.87 115.31 122.08 3juj h LEU 142 Ca 0.05 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3juj h LEU 142 Cb 0.64 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 3juj h LEU 142 CO 0.04 0.41 -0.13 0.50 -0.13 0.00 0.00 178.44 179.13 3juj h LYS 143 N 0.43 -0.35 -0.70 1.25 1.63 -1.79 0.50 116.57 117.54 3juj h LYS 143 Ca 0.10 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.08 3juj h LYS 143 Cb 0.17 0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 31.77 3juj h LYS 143 CO -0.00 -0.11 0.03 1.96 -3.45 0.00 0.00 179.45 177.87 3juj h GLN 144 N -0.54 0.13 0.22 1.90 4.20 -1.15 0.18 115.11 120.04 3juj h GLN 144 Ca -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3juj h GLN 144 Cb 0.40 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3juj h GLN 144 CO 0.06 0.08 -0.10 0.52 -0.67 0.00 0.00 178.83 178.72 3juj h MET 145 N 0.13 -0.28 -0.87 1.46 2.86 -0.85 -0.83 114.93 116.54 3juj h MET 145 Ca 0.38 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.04 3juj h MET 145 Cb 0.64 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 3juj h MET 145 CO -0.59 -0.11 0.58 1.79 1.06 0.00 0.00 176.91 179.63 3juj h THR 146 N -0.39 1.23 -0.69 2.22 1.35 0.81 -1.18 112.91 116.25 3juj h THR 146 Ca -0.03 -0.42 -0.06 0.00 -0.55 0.00 0.00 66.41 65.36 3juj h THR 146 Cb 0.30 -0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 66.63 3juj h THR 146 CO 0.05 0.22 0.20 -1.28 -0.25 0.00 0.00 175.52 174.46 3juj h SER 147 N 1.19 1.01 0.28 5.36 0.87 -0.55 -1.92 113.55 119.79 3juj h SER 147 Ca 0.32 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3juj h SER 147 Cb -0.13 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.56 3juj h SER 147 CO -0.07 0.96 -0.20 0.25 -0.53 0.00 0.00 176.83 177.24 3juj h LEU 148 N 1.01 0.00 -1.17 2.23 6.46 -0.47 -2.13 115.31 121.24 3juj h LEU 148 Ca 0.22 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.90 3juj h LEU 148 Cb 0.32 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3juj h LEU 148 CO -0.00 0.20 -0.31 0.22 -0.62 0.00 0.00 178.44 177.92 3juj h TYR 149 N 0.00 0.19 -0.09 1.25 3.20 -0.43 -0.73 116.97 120.35 3juj h TYR 149 Ca -0.00 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.86 3juj h TYR 149 Cb 0.40 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 3juj h TYR 149 CO 0.00 0.47 0.09 1.96 -1.64 0.00 0.00 178.16 179.04 3juj h GLN 150 N 0.15 0.00 0.00 1.82 1.08 -1.17 -0.56 115.11 116.42 3juj h GLN 150 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.04 3juj h GLN 150 Cb 0.64 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 3juj h GLN 150 CO 0.05 0.00 -1.41 1.17 -0.95 0.00 0.00 178.83 177.69 3juj n LYS 151 N -3.97 0.54 0.20 1.46 4.81 -0.81 -4.69 118.16 115.71 3juj n LYS 151 Ca -0.01 0.36 0.09 0.00 -0.87 0.00 0.00 58.31 57.88 3juj n LYS 151 Cb 0.20 -1.56 0.31 0.00 0.02 0.00 0.00 35.03 34.00 3juj n LYS 151 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3juj h TYR 152 N -1.00 0.00 -6.42 5.64 0.05 -1.09 -3.48 116.97 110.67 3juj h TYR 152 Ca -0.27 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.02 3juj h TYR 152 Cb 1.14 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.83 3juj h TYR 152 CO -0.19 0.25 -0.85 1.04 -1.05 0.00 0.00 178.16 177.35 3juj n GLN 153 N -3.27 -3.89 -3.84 4.88 1.13 -0.23 -4.96 117.38 107.20 3juj n GLN 153 Ca 0.01 0.47 -0.07 0.00 -1.94 0.00 0.00 57.00 55.48 3juj n GLN 153 Cb 0.52 -4.86 -0.01 0.00 0.11 0.00 0.00 30.24 26.00 3juj n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3juj n SER 155 N -0.60 3.40 -3.92 0.00 7.64 -1.25 -4.78 113.62 114.10 3juj n SER 155 Ca -0.05 1.13 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 3juj n SER 155 Cb 0.59 -1.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.13 3juj n SER 155 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3juj s ILE 156 N 0.23 1.55 -0.28 0.44 1.01 0.94 -1.03 121.20 124.06 3juj s ILE 156 Ca 0.69 -1.42 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 3juj s ILE 156 Cb -0.57 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3juj s ILE 156 CO 0.46 -0.26 0.26 0.54 0.00 0.00 0.00 174.94 175.93 3juj s VAL 157 N 1.35 5.26 0.35 2.92 0.11 -0.60 -2.18 120.40 127.62 3juj s VAL 157 Ca -0.01 0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 59.08 3juj s VAL 157 Cb -0.19 -3.59 -0.10 0.00 -1.53 0.00 0.00 36.38 30.97 3juj s VAL 157 CO -0.09 0.22 1.30 0.00 -3.33 0.00 0.00 175.10 173.20 3juj s ALA 158 N 1.87 3.43 0.28 1.54 0.00 -0.22 -1.55 121.76 127.10 3juj s ALA 158 Ca 0.10 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.33 3juj s ALA 158 Cb -0.16 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3juj s ALA 158 CO 0.11 -0.69 0.06 0.96 0.00 0.00 0.00 175.76 176.20 3juj s ILE 159 N -1.18 0.93 -0.24 0.00 -4.36 0.23 -1.47 121.20 115.11 3juj s ILE 159 Ca 0.51 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.72 3juj s ILE 159 Cb -0.39 -2.64 0.07 0.00 1.25 0.00 0.00 42.46 40.75 3juj s ILE 159 CO 0.51 -0.07 0.60 -0.70 0.24 0.00 0.00 174.94 175.53 3juj s GLU 160 N -3.94 0.65 -0.04 0.37 2.12 0.13 -3.56 118.70 114.43 3juj s GLU 160 Ca 0.35 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.37 3juj s GLU 160 Cb 0.08 0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.62 3juj s GLU 160 CO 0.13 -0.12 1.39 -2.00 -0.54 0.00 0.00 175.26 174.12 3juj s GLU 161 N 1.04 4.27 0.53 4.30 2.12 -1.26 -0.77 118.70 128.93 3juj s GLU 161 Ca -0.06 1.91 0.08 0.00 0.36 0.00 0.00 54.97 57.26 3juj s GLU 161 Cb -0.05 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.72 3juj s GLU 161 CO -0.10 -0.63 0.56 0.14 -0.54 0.00 0.00 175.26 174.70 3juj s VAL 162 N 2.82 2.08 0.24 3.70 -7.23 0.12 -4.93 120.40 117.19 3juj s VAL 162 Ca 0.63 -1.24 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 3juj s VAL 162 Cb -0.29 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 3juj s VAL 162 CO 0.24 0.00 0.89 0.00 -0.31 0.00 0.00 175.10 175.92 3juj s ALA 163 N -2.66 3.34 0.10 1.32 0.00 -1.26 -4.87 121.76 117.72 3juj s ALA 163 Ca 0.48 0.51 0.08 0.00 0.00 0.00 0.00 51.96 53.03 3juj s ALA 163 Cb -0.04 -3.12 0.32 0.00 0.00 0.00 0.00 23.12 20.28 3juj s ALA 163 CO 0.30 0.23 0.32 -0.11 0.00 0.00 0.00 175.76 176.50 3juj n LEU 164 N 1.25 0.03 -0.00 0.00 -0.00 -1.26 0.12 117.00 117.14 3juj n LEU 164 Ca -0.02 0.27 0.03 0.00 -0.00 0.00 0.00 56.01 56.29 3juj n LEU 164 Cb 0.48 -0.13 -0.05 0.00 -0.00 0.00 0.00 43.42 43.72 3juj n LEU 164 CO 0.47 -0.29 -0.30 -1.84 -0.00 0.00 0.00 177.39 175.44 3juj n GLU 165 N -2.88 2.44 0.00 1.96 0.00 -1.26 -4.50 120.64 116.40 3juj n GLU 165 Ca 0.09 -0.03 0.06 0.00 0.00 0.00 0.00 57.16 57.27 3juj n GLU 165 Cb 0.35 -1.00 0.35 0.00 0.00 0.00 0.00 31.44 31.14 3juj n GLU 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3juj n GLU 166 N -1.46 0.59 -0.13 3.44 -0.58 0.12 -3.81 120.64 118.81 3juj n GLU 166 Ca -0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 3juj n GLU 166 Cb 0.15 -1.31 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3juj n GLU 166 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3juj h VAL 167 N 0.00 1.14 0.00 2.62 2.07 -1.79 -2.70 116.25 117.59 3juj h VAL 167 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3juj h VAL 167 Cb 0.00 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3juj h VAL 167 CO 0.00 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 176.19 3juj n SER 168 N -4.76 0.00 -0.24 0.57 3.41 -1.07 -0.99 113.62 110.53 3juj n SER 168 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 3juj n SER 168 Cb 0.07 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3juj n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3juj n LYS 169 N -0.57 1.27 -4.32 4.33 5.02 -1.02 -4.62 118.16 118.26 3juj n LYS 169 Ca 0.00 -1.26 -0.20 0.00 -2.02 0.00 0.00 58.31 54.83 3juj n LYS 169 Cb 0.00 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 3juj n LYS 169 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3juj s TYR 170 N -0.70 1.73 -0.29 2.13 1.51 -0.16 -4.92 117.35 116.64 3juj s TYR 170 Ca 0.08 -1.59 -0.11 0.00 -1.01 0.00 0.00 57.07 54.44 3juj s TYR 170 Cb 0.05 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 3juj s TYR 170 CO 0.07 -0.76 0.20 0.20 -1.11 0.00 0.00 175.55 174.14 3juj s GLY 171 N -3.40 1.93 0.07 0.71 0.00 -1.26 0.17 107.32 105.53 3juj s GLY 171 Ca 0.38 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 3juj s GLY 171 CO 0.24 0.68 0.27 0.14 0.00 0.00 0.00 173.10 174.43 3juj s VAL 172 N 1.74 5.30 0.00 1.40 1.01 0.24 -1.43 120.40 128.68 3juj s VAL 172 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3juj s VAL 172 Cb -0.16 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3juj s VAL 172 CO 0.10 0.18 0.13 -0.63 0.00 0.00 0.00 175.10 174.89 3juj s ILE 173 N -1.49 5.07 -0.30 2.22 1.09 -1.02 -0.19 121.20 126.58 3juj s ILE 173 Ca 0.34 -0.32 -0.01 0.00 -1.10 0.00 0.00 60.65 59.56 3juj s ILE 173 Cb -0.13 -3.36 0.06 0.00 -1.06 0.00 0.00 42.46 37.97 3juj s ILE 173 CO 0.23 0.31 -0.01 -0.60 -0.10 0.00 0.00 174.94 174.77 3juj s ARG 174 N -1.92 2.33 0.09 2.79 3.52 -0.39 -4.03 118.95 121.34 3juj s ARG 174 Ca 0.26 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.53 3juj s ARG 174 Cb -0.12 -3.14 -0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3juj s ARG 174 CO 0.17 -0.64 0.01 0.41 -0.81 0.00 0.00 175.30 174.45 3juj n GLY 175 N 4.57 4.02 2.71 8.12 0.00 -1.26 0.23 105.19 123.57 3juj n GLY 175 Ca -0.12 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.56 3juj n GLY 175 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3juj s GLU 176 N -2.31 0.35 0.27 1.61 2.12 -0.78 -4.84 118.70 115.11 3juj s GLU 176 Ca 0.02 0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.09 3juj s GLU 176 Cb 0.00 -1.22 -0.13 0.00 0.26 0.00 0.00 34.13 33.04 3juj s GLU 176 CO 0.01 -0.44 1.48 1.87 -0.54 0.00 0.00 175.26 177.65 3juj n TRP 177 N 5.19 2.46 -0.03 5.30 -0.00 -1.26 -0.92 117.44 128.17 3juj n TRP 177 Ca -0.06 0.36 -0.06 0.00 -0.00 0.00 0.00 57.50 57.74 3juj n TRP 177 Cb 0.49 -2.52 -0.03 0.00 -0.00 0.00 0.00 31.31 29.26 3juj n TRP 177 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3juj n LEU 178 N 2.10 2.05 -3.73 5.87 4.32 0.55 -4.85 117.00 123.30 3juj n LEU 178 Ca 0.10 0.01 -0.03 0.00 -0.02 0.00 0.00 56.01 56.07 3juj n LEU 178 Cb 0.34 -0.23 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 3juj n LEU 178 CO 0.63 0.44 0.78 -1.83 -1.22 0.00 0.00 177.39 176.19 3juj s GLU 179 N -2.13 1.05 -0.39 3.23 -1.05 -1.12 -5.01 118.70 113.27 3juj s GLU 179 Ca -0.09 -0.58 -0.21 0.00 -0.15 0.00 0.00 54.97 53.94 3juj s GLU 179 Cb 0.03 0.36 -0.11 0.00 -0.44 0.00 0.00 34.13 33.97 3juj s GLU 179 CO 0.14 -0.48 1.32 -1.91 0.95 0.00 0.00 175.26 175.28 3juj n GLU 180 N -0.47 0.00 -1.37 -4.83 4.07 -1.26 0.75 120.64 117.53 3juj n GLU 180 Ca -0.06 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.91 3juj n GLU 180 Cb 0.61 -0.83 -0.06 0.00 -0.06 0.00 0.00 31.44 31.11 3juj n GLU 180 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3juj n GLY 181 N 3.91 1.35 3.01 8.31 0.00 -1.26 -4.97 105.19 115.54 3juj n GLY 181 Ca 0.33 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3juj n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3juj s VAL 182 N -2.42 1.25 0.11 1.61 1.01 0.23 -0.97 120.40 121.22 3juj s VAL 182 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3juj s VAL 182 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3juj s VAL 182 CO 0.00 0.39 -0.20 -0.31 0.00 0.00 0.00 175.10 174.98 3juj s TYR 183 N 1.05 1.76 -0.06 5.22 1.51 -0.57 -0.33 117.35 125.91 3juj s TYR 183 Ca -0.07 -0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 55.37 3juj s TYR 183 Cb -0.15 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 3juj s TYR 183 CO -0.01 0.21 0.55 -2.00 -1.11 0.00 0.00 175.55 173.18 3juj s GLU 184 N -1.97 4.32 -0.48 -0.62 2.12 -0.10 -0.37 118.70 121.60 3juj s GLU 184 Ca 0.07 0.61 -0.28 0.00 0.36 0.00 0.00 54.97 55.72 3juj s GLU 184 Cb -0.10 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 30.93 3juj s GLU 184 CO 0.04 0.25 1.11 0.42 -0.54 0.00 0.00 175.26 176.54 3juj s ILE 185 N 0.27 4.23 -0.17 -3.70 1.01 -0.51 -1.87 121.20 120.47 3juj s ILE 185 Ca 0.29 1.13 0.17 0.00 0.00 0.00 0.00 60.65 62.24 3juj s ILE 185 Cb -0.17 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 3juj s ILE 185 CO 0.14 -1.01 1.12 0.11 0.00 0.00 0.00 174.94 175.30 3juj h LYS 186 N 9.23 0.00 -1.91 2.79 1.79 -0.55 -3.44 116.57 124.48 3juj h LYS 186 Ca -0.23 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.49 3juj h LYS 186 Cb 1.06 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.61 3juj h LYS 186 CO 1.12 0.30 0.66 0.34 -1.08 0.00 0.00 179.45 180.79 3juj s ASP 187 N -5.98 -0.11 -0.20 0.86 3.68 -0.74 -4.83 116.67 109.35 3juj s ASP 187 Ca 0.00 -0.28 -0.04 0.00 2.13 0.00 0.00 52.55 54.36 3juj s ASP 187 Cb 0.08 0.33 0.10 0.00 -1.45 0.00 0.00 42.92 41.98 3juj s ASP 187 CO 0.78 -0.61 0.31 -0.04 0.13 0.00 0.00 175.17 175.74 3juj s MET 188 N -2.84 0.25 -0.15 4.34 -1.94 -1.26 -1.26 119.30 116.45 3juj s MET 188 Ca 0.14 0.56 -0.05 0.00 -1.71 0.00 0.00 55.69 54.62 3juj s MET 188 Cb 0.02 -0.48 -0.04 0.00 2.01 0.00 0.00 34.83 36.34 3juj s MET 188 CO -0.01 -0.51 0.03 0.54 -0.01 0.00 0.00 175.02 175.06 3juj s VAL 189 N 2.46 4.49 -0.09 -6.03 0.11 0.74 -4.88 120.40 117.20 3juj s VAL 189 Ca 0.07 -0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 3juj s VAL 189 Cb -0.14 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 3juj s VAL 189 CO -0.13 0.52 0.64 -0.70 -3.33 0.00 0.00 175.10 172.10 3juj s GLU 190 N -0.06 4.40 -0.37 1.54 2.56 -1.26 0.82 118.70 126.33 3juj s GLU 190 Ca 0.05 0.76 -0.12 0.00 0.00 0.00 0.00 54.97 55.66 3juj s GLU 190 Cb -0.12 -3.45 0.02 0.00 2.00 0.00 0.00 34.13 32.57 3juj s GLU 190 CO 0.02 0.07 0.38 1.63 -0.56 0.00 0.00 175.26 176.80 3juj n LYS 191 N 3.81 -1.03 -2.47 4.30 5.02 0.44 -4.93 118.16 123.30 3juj n LYS 191 Ca -0.03 0.65 -0.24 0.00 -2.02 0.00 0.00 58.31 56.67 3juj n LYS 191 Cb 0.51 -1.24 0.09 0.00 -0.02 0.00 0.00 35.03 34.37 3juj n LYS 191 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3juj s PRO 192 N -2.57 1.93 0.73 1.97 0.04 -1.26 -4.82 135.00 131.02 3juj s PRO 192 Ca 0.12 -0.79 -0.12 0.00 0.04 0.00 0.00 61.00 60.24 3juj s PRO 192 Cb -0.01 -2.30 0.18 0.00 0.04 0.00 0.00 34.50 32.40 3juj s PRO 192 CO 0.53 -1.29 0.80 0.09 0.04 0.00 0.00 177.00 177.16 3juj n ASN 193 N -2.80 -0.87 0.08 6.66 3.02 -1.26 -2.61 115.26 117.47 3juj n ASN 193 Ca 0.12 -1.12 -0.20 0.00 -0.03 0.00 0.00 54.58 53.35 3juj n ASN 193 Cb 0.60 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 3juj n ASN 193 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3juj h GLN 194 N 0.00 0.33 -0.01 3.52 4.15 -1.91 -1.88 115.11 119.32 3juj h GLN 194 Ca -0.28 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.57 3juj h GLN 194 Cb 0.81 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3juj h GLN 194 CO 0.19 1.22 0.00 -0.85 -1.93 0.00 0.00 178.83 177.46 3juj n GLU 195 N -3.53 1.02 0.00 1.69 0.00 -1.26 -3.61 120.64 114.95 3juj n GLU 195 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 56.94 3juj n GLU 195 Cb 1.06 -1.04 0.00 0.00 0.00 0.00 0.00 31.44 31.46 3juj n GLU 195 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3juj n ASP 196 N -0.52 2.61 -4.65 -1.84 8.00 -1.21 -5.04 116.55 113.91 3juj n ASP 196 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3juj n ASP 196 Cb 0.01 0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3juj n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3juj s ALA 197 N -1.30 3.40 -0.92 2.24 0.00 -0.71 -4.83 121.76 119.63 3juj s ALA 197 Ca 0.00 1.15 0.11 0.00 0.00 0.00 0.00 51.96 53.22 3juj s ALA 197 Cb 0.00 -3.89 0.47 0.00 0.00 0.00 0.00 23.12 19.70 3juj s ALA 197 CO 0.00 -1.83 1.34 -0.35 0.00 0.00 0.00 175.76 174.92 3juj n PRO 198 N 7.77 0.02 -2.58 0.00 -0.04 -1.26 -4.82 135.00 134.08 3juj n PRO 198 Ca 0.22 0.36 -0.02 0.00 -0.04 0.00 0.00 63.50 64.02 3juj n PRO 198 Cb 0.42 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 3juj n PRO 198 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3juj n SER 199 N -1.59 -0.90 -0.20 3.54 3.41 -1.26 -4.89 113.62 111.73 3juj n SER 199 Ca 0.02 -1.51 0.08 0.00 -0.26 0.00 0.00 58.87 57.21 3juj n SER 199 Cb 0.11 1.47 0.13 0.00 -0.26 0.00 0.00 64.21 65.67 3juj n SER 199 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3juj n ASN 200 N -0.99 1.99 -4.45 4.04 3.02 -1.26 -4.86 115.26 112.76 3juj n ASN 200 Ca -0.02 -3.04 -0.44 0.00 -0.03 0.00 0.00 54.58 51.06 3juj n ASN 200 Cb 0.29 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3juj n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3juj s LEU 201 N -2.55 4.78 0.32 3.41 1.02 -1.26 0.11 118.68 124.50 3juj s LEU 201 Ca 0.29 -1.53 -0.14 0.00 0.02 0.00 0.00 54.13 52.77 3juj s LEU 201 Cb 0.26 -2.40 -0.08 0.00 0.02 0.00 0.00 46.19 43.98 3juj s LEU 201 CO 0.01 -1.24 0.72 0.00 0.02 0.00 0.00 176.35 175.86 3juj s ALA 202 N 3.31 3.36 0.02 4.21 0.00 0.05 -2.44 121.76 130.28 3juj s ALA 202 Ca 0.26 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 3juj s ALA 202 Cb -0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3juj s ALA 202 CO 0.00 0.32 0.74 0.08 0.00 0.00 0.00 175.76 176.89 3juj s VAL 203 N -2.01 4.79 0.55 0.00 1.01 -0.51 -0.70 120.40 123.53 3juj s VAL 203 Ca 0.53 1.56 0.09 0.00 0.00 0.00 0.00 61.98 64.16 3juj s VAL 203 Cb -0.10 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.26 3juj s VAL 203 CO 0.19 0.36 0.70 -0.63 0.00 0.00 0.00 175.10 175.72 3juj s ILE 204 N 0.04 2.20 -0.83 2.22 1.09 -0.54 -4.71 121.20 120.66 3juj s ILE 204 Ca 0.37 -1.08 -0.06 0.00 -1.10 0.00 0.00 60.65 58.78 3juj s ILE 204 Cb -0.20 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.89 3juj s ILE 204 CO 0.22 0.00 2.90 0.61 -0.10 0.00 0.00 174.94 178.57 3juj n GLY 205 N -2.11 4.26 2.60 6.18 0.00 -1.26 -4.70 105.19 110.16 3juj n GLY 205 Ca 0.12 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 3juj n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3juj s ARG 206 N -0.13 0.15 0.40 1.61 1.81 -1.26 -2.38 118.95 119.14 3juj s ARG 206 Ca 0.62 -0.28 0.06 0.00 -1.72 0.00 0.00 55.73 54.40 3juj s ARG 206 Cb 0.27 -1.38 -0.07 0.00 -0.45 0.00 0.00 34.95 33.32 3juj s ARG 206 CO -0.10 -0.86 0.02 0.71 -0.68 0.00 0.00 175.30 174.39 3juj s TYR 207 N 2.15 2.30 -0.24 -0.53 2.02 -0.88 -1.05 117.35 121.12 3juj s TYR 207 Ca 0.06 -0.78 -0.03 0.00 -0.37 0.00 0.00 57.07 55.95 3juj s TYR 207 Cb -0.16 -1.63 0.13 0.00 -0.40 0.00 0.00 41.96 39.91 3juj s TYR 207 CO -0.24 0.30 0.37 0.42 -1.57 0.00 0.00 175.55 174.83 3juj s ILE 208 N -2.88 -0.59 0.04 2.71 1.01 -0.93 -1.71 121.20 118.86 3juj s ILE 208 Ca 0.32 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.96 3juj s ILE 208 Cb 0.09 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 3juj s ILE 208 CO 0.16 -0.13 -0.19 -0.76 0.00 0.00 0.00 174.94 174.02 3juj s LEU 209 N 2.53 2.58 0.10 2.97 1.43 -0.09 -0.04 118.68 128.17 3juj s LEU 209 Ca 0.12 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 3juj s LEU 209 Cb -0.15 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.50 3juj s LEU 209 CO -0.16 0.26 0.53 0.42 0.23 0.00 0.00 176.35 177.62 3juj s THR 210 N -0.92 4.86 0.31 5.49 -4.23 -1.26 -1.19 115.64 118.71 3juj s THR 210 Ca 0.14 0.92 0.20 0.00 -1.18 0.00 0.00 61.69 61.78 3juj s THR 210 Cb -0.10 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.29 3juj s THR 210 CO 0.05 0.38 1.23 -2.65 -0.54 0.00 0.00 174.62 173.09 3juj n PRO 211 N 1.21 -0.04 0.30 3.99 -0.02 -1.26 -0.21 135.00 138.98 3juj n PRO 211 Ca -0.08 1.04 0.18 0.00 -2.02 0.00 0.00 63.50 62.62 3juj n PRO 211 Cb 0.52 -1.94 0.98 0.00 -0.02 0.00 0.00 33.50 33.03 3juj n PRO 211 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3juj h ASP 212 N 0.00 0.00 -0.28 2.55 2.03 -1.96 -0.26 116.42 118.50 3juj h ASP 212 Ca 0.68 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.98 3juj h ASP 212 Cb 1.97 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.45 3juj h ASP 212 CO -0.50 0.00 0.18 -0.29 -1.03 0.00 0.00 179.24 177.60 3juj h ILE 213 N 0.00 1.08 -0.07 4.15 6.09 -0.98 -0.95 117.51 126.83 3juj h ILE 213 Ca 0.00 -0.16 -0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3juj h ILE 213 Cb 0.22 0.66 -0.00 0.00 0.47 0.00 0.00 36.82 38.17 3juj h ILE 213 CO 0.00 0.08 0.03 -0.26 -3.07 0.00 0.00 178.15 174.93 3juj h PHE 214 N 0.39 0.11 -0.85 2.19 0.05 -1.26 0.53 116.94 118.11 3juj h PHE 214 Ca 0.10 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.92 3juj h PHE 214 Cb -0.03 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 37.84 3juj h PHE 214 CO 0.00 0.20 0.55 1.49 -0.18 0.00 0.00 178.31 180.36 3juj h GLU 215 N -0.01 1.04 -0.40 1.51 4.57 -1.50 -1.85 114.58 117.93 3juj h GLU 215 Ca 0.03 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 3juj h GLU 215 Cb 0.13 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3juj h GLU 215 CO -0.00 0.69 -0.37 0.82 -1.18 0.00 0.00 179.01 178.96 3juj h ILE 216 N 1.07 1.27 0.29 2.32 2.04 -0.81 -2.97 117.51 120.72 3juj h ILE 216 Ca 0.34 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3juj h ILE 216 Cb -0.00 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3juj h ILE 216 CO -0.11 0.52 -0.21 -0.07 0.00 0.00 0.00 178.15 178.28 3juj h LEU 217 N 0.78 -0.53 -2.32 1.44 -0.00 0.54 -1.32 115.31 113.90 3juj h LEU 217 Ca 0.07 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 58.01 3juj h LEU 217 Cb 0.97 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.79 3juj h LEU 217 CO 0.09 -0.32 0.10 0.77 -0.00 0.00 0.00 178.44 179.08 3juj h SER 218 N -0.50 0.00 1.02 -0.43 4.64 -1.39 -0.41 113.55 116.49 3juj h SER 218 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3juj h SER 218 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3juj h SER 218 CO 0.01 0.00 -0.64 -0.33 -0.87 0.00 0.00 176.83 175.00 3juj h GLU 219 N 0.00 0.00 -6.31 4.77 5.08 -1.28 -3.46 114.58 113.38 3juj h GLU 219 Ca 0.04 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.85 3juj h GLU 219 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3juj h GLU 219 CO -0.00 0.00 0.87 0.99 -1.00 0.00 0.00 179.01 179.87 3juj s THR 220 N -3.22 3.85 0.97 1.13 2.01 -0.16 -5.02 115.64 115.20 3juj s THR 220 Ca 0.05 1.17 -0.12 0.00 0.31 0.00 0.00 61.69 63.10 3juj s THR 220 Cb 0.12 -3.75 0.17 0.00 0.01 0.00 0.00 72.50 69.05 3juj s THR 220 CO 0.73 -0.04 1.09 -0.54 -0.69 0.00 0.00 174.62 175.17 3juj s LYS 221 N 2.82 0.67 0.00 4.92 3.01 -1.26 -4.92 119.74 124.99 3juj s LYS 221 Ca 0.63 0.80 0.00 0.00 -1.01 0.00 0.00 55.97 56.39 3juj s LYS 221 Cb -0.29 -1.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.79 3juj s LYS 221 CO 0.24 -2.64 0.00 -2.30 0.51 0.00 0.00 175.35 171.16 3juj n PRO 222 N -4.15 0.00 0.00 -1.68 -0.02 -1.26 -4.64 135.00 123.25 3juj n PRO 222 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3juj n PRO 222 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3juj n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juj n GLY 223 N 0.00 0.38 2.72 -1.23 0.00 -1.25 -4.45 105.19 101.36 3juj n GLY 223 Ca 0.00 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 3juj n GLY 223 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3juj n LYS 224 N 0.00 0.00 -3.58 1.61 4.81 -1.26 -1.35 118.16 118.39 3juj n LYS 224 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 3juj n LYS 224 Cb 0.00 -0.94 0.04 0.00 0.02 0.00 0.00 35.03 34.15 3juj n LYS 224 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3juj n ASN 225 N 5.92 -5.72 0.00 3.14 0.23 -1.26 -3.24 115.26 114.33 3juj n ASN 225 Ca 0.52 -0.87 0.00 0.00 -0.53 0.00 0.00 54.58 53.70 3juj n ASN 225 Cb 0.07 -3.59 0.00 0.00 -2.08 0.00 0.00 39.78 34.18 3juj n ASN 225 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3juj n ASN 226 N -2.60 0.00 -4.78 0.53 5.15 -0.45 -4.96 115.26 108.15 3juj n ASN 226 Ca -0.10 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.52 3juj n ASN 226 Cb 0.59 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.83 3juj n ASN 226 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3juj s GLU 227 N 0.00 3.71 -0.10 1.20 2.02 -1.20 -4.44 118.70 119.89 3juj s GLU 227 Ca 0.00 1.58 -0.15 0.00 0.02 0.00 0.00 54.97 56.42 3juj s GLU 227 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 3juj s GLU 227 CO 0.00 -0.55 0.37 0.42 0.02 0.00 0.00 175.26 175.52 3juj s ILE 228 N -1.74 5.21 -0.05 -1.63 1.01 -1.25 -3.83 121.20 118.92 3juj s ILE 228 Ca 0.66 0.73 0.04 0.00 0.00 0.00 0.00 60.65 62.08 3juj s ILE 228 Cb -0.23 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 3juj s ILE 228 CO 0.28 0.43 -0.17 -1.10 0.00 0.00 0.00 174.94 174.37 3juj s GLN 229 N 0.02 1.94 0.64 2.79 -1.52 -1.26 -3.60 119.66 118.67 3juj s GLN 229 Ca 0.21 -0.62 0.23 0.00 -1.95 0.00 0.00 55.36 53.23 3juj s GLN 229 Cb -0.15 -1.64 1.21 0.00 -0.22 0.00 0.00 33.01 32.22 3juj s GLN 229 CO 0.08 0.21 1.68 -0.84 -0.25 0.00 0.00 175.29 176.17 3juj h ILE 230 N 5.41 0.08 0.20 1.08 -0.00 -1.91 0.73 117.51 123.10 3juj h ILE 230 Ca -0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.54 3juj h ILE 230 Cb 1.18 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.47 3juj h ILE 230 CO 0.48 0.00 -0.10 0.74 -0.00 0.00 0.00 178.15 179.27 3juj h THR 231 N 0.00 0.80 -0.28 0.16 2.02 -1.96 1.13 112.91 114.78 3juj h THR 231 Ca 0.09 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 3juj h THR 231 Cb 1.23 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3juj h THR 231 CO -0.00 0.00 -0.16 0.44 0.37 0.00 0.00 175.52 176.16 3juj h ASP 232 N -0.28 0.62 -0.92 4.18 3.32 -1.21 0.35 116.42 122.49 3juj h ASP 232 Ca -0.03 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.63 3juj h ASP 232 Cb 0.21 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3juj h ASP 232 CO 0.04 0.91 0.60 0.00 -1.72 0.00 0.00 179.24 179.08 3juj h ALA 233 N 0.73 1.22 -0.26 3.45 0.00 -1.29 0.27 119.26 123.37 3juj h ALA 233 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3juj h ALA 233 Cb 0.69 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3juj h ALA 233 CO 0.05 0.47 -0.23 -0.07 0.00 0.00 0.00 179.25 179.46 3juj h LEU 234 N 1.16 0.65 -1.10 0.00 3.38 0.15 -1.56 115.31 118.00 3juj h LEU 234 Ca 0.37 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3juj h LEU 234 Cb 0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3juj h LEU 234 CO -0.12 0.98 0.61 -0.09 0.09 0.00 0.00 178.44 179.92 3juj h ARG 235 N 0.34 1.16 0.74 1.13 2.43 -0.23 0.27 114.38 120.22 3juj h ARG 235 Ca 0.04 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3juj h ARG 235 Cb 0.79 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3juj h ARG 235 CO 0.06 0.77 -0.36 1.15 -1.51 0.00 0.00 179.97 180.08 3juj h THR 236 N 1.19 0.00 -0.98 0.20 2.02 -0.27 -1.51 112.91 113.56 3juj h THR 236 Ca 0.36 -0.16 0.24 0.00 0.77 0.00 0.00 66.41 67.61 3juj h THR 236 Cb -0.03 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.30 3juj h THR 236 CO -0.10 0.00 0.64 -0.61 0.37 0.00 0.00 175.52 175.82 3juj h GLN 237 N -1.16 0.39 -0.65 6.66 4.15 -1.03 0.15 115.11 123.63 3juj h GLN 237 Ca -0.10 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3juj h GLN 237 Cb 0.76 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 3juj h GLN 237 CO 0.17 0.26 0.08 0.00 -1.93 0.00 0.00 178.83 177.41 3juj h ALA 238 N 1.61 0.91 -0.00 3.38 0.00 -0.20 -2.28 119.26 122.67 3juj h ALA 238 Ca 0.53 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3juj h ALA 238 Cb 1.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3juj h ALA 238 CO -0.23 0.66 -0.82 0.87 0.00 0.00 0.00 179.25 179.73 3juj h LYS 239 N 1.01 0.08 -0.20 0.00 1.57 0.06 -3.22 116.57 115.87 3juj h LYS 239 Ca 0.19 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 3juj h LYS 239 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3juj h LYS 239 CO 0.02 0.86 -0.39 0.00 -0.57 0.00 0.00 179.45 179.36 3juj h ARG 240 N 0.05 0.46 -2.50 3.15 3.08 -1.15 -3.47 114.38 114.00 3juj h ARG 240 Ca -0.02 -0.22 0.15 0.00 0.07 0.00 0.00 59.98 59.96 3juj h ARG 240 Cb 1.44 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.44 3juj h ARG 240 CO 0.11 0.78 0.52 -1.59 -1.07 0.00 0.00 179.97 178.73 3juj s LYS 241 N -4.23 1.35 -0.01 0.04 0.00 -0.87 -5.11 119.74 110.90 3juj s LYS 241 Ca -0.06 -0.83 -0.30 0.00 0.00 0.00 0.00 55.97 54.78 3juj s LYS 241 Cb 0.13 0.40 -0.07 0.00 0.00 0.00 0.00 37.83 38.29 3juj s LYS 241 CO 0.81 -0.63 1.71 0.50 0.00 0.00 0.00 175.35 177.74 3juj s ARG 242 N -2.58 4.18 -0.01 1.78 3.52 -1.26 -4.15 118.95 120.42 3juj s ARG 242 Ca 0.18 2.30 0.04 0.00 -0.13 0.00 0.00 55.73 58.12 3juj s ARG 242 Cb -0.02 -3.95 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 3juj s ARG 242 CO 0.05 -0.84 -0.13 0.96 -0.81 0.00 0.00 175.30 174.52 3juj s ILE 243 N 3.84 1.07 0.30 4.11 -4.36 -1.26 -4.69 121.20 120.20 3juj s ILE 243 Ca 0.76 -0.57 0.02 0.00 -0.26 0.00 0.00 60.65 60.61 3juj s ILE 243 Cb -0.36 -0.90 -0.03 0.00 1.25 0.00 0.00 42.46 42.42 3juj s ILE 243 CO 0.32 0.30 0.46 -0.63 0.24 0.00 0.00 174.94 175.64 3juj s ILE 244 N -0.25 5.17 -0.05 8.37 1.09 -0.20 -1.42 121.20 133.91 3juj s ILE 244 Ca 0.04 -0.67 0.06 0.00 -1.10 0.00 0.00 60.65 58.98 3juj s ILE 244 Cb -0.06 -3.85 -0.01 0.00 -1.06 0.00 0.00 42.46 37.47 3juj s ILE 244 CO -0.00 -0.45 -0.25 0.00 -0.10 0.00 0.00 174.94 174.14 3juj s ALA 245 N -2.16 2.12 -0.15 9.38 0.00 0.50 -1.55 121.76 129.90 3juj s ALA 245 Ca 0.37 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3juj s ALA 245 Cb -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3juj s ALA 245 CO 0.33 0.43 -0.19 -0.47 0.00 0.00 0.00 175.76 175.86 3juj s TYR 246 N -0.22 2.47 -0.96 0.00 5.04 -0.60 -1.51 117.35 121.57 3juj s TYR 246 Ca -0.01 -1.32 -0.19 0.00 -2.44 0.00 0.00 57.07 53.11 3juj s TYR 246 Cb -0.13 -1.72 0.12 0.00 0.35 0.00 0.00 41.96 40.58 3juj s TYR 246 CO 0.03 -0.65 1.19 -1.14 -1.34 0.00 0.00 175.55 173.64 3juj s GLN 247 N 1.10 3.62 0.48 4.97 0.74 -0.14 0.73 119.66 131.17 3juj s GLN 247 Ca -0.02 -1.71 -0.23 0.00 0.05 0.00 0.00 55.36 53.45 3juj s GLN 247 Cb -0.14 -4.99 -0.07 0.00 1.10 0.00 0.00 33.01 28.91 3juj s GLN 247 CO -0.06 -1.84 1.30 -0.59 -0.55 0.00 0.00 175.29 173.55 3juj s PHE 248 N 2.97 2.58 -0.04 1.67 -0.12 -1.23 -4.83 117.98 118.97 3juj s PHE 248 Ca 0.35 1.42 -0.26 0.00 -0.05 0.00 0.00 56.93 58.38 3juj s PHE 248 Cb -0.04 -3.67 -0.03 0.00 -0.63 0.00 0.00 43.02 38.65 3juj s PHE 248 CO -0.09 -2.35 0.82 0.15 -0.05 0.00 0.00 175.22 173.71 3juj s LYS 249 N -2.66 4.49 0.00 1.99 3.01 -1.26 -4.94 119.74 120.36 3juj s LYS 249 Ca 0.65 1.12 0.00 0.00 -1.01 0.00 0.00 55.97 56.73 3juj s LYS 249 Cb -0.37 -3.46 0.00 0.00 -1.01 0.00 0.00 37.83 32.99 3juj s LYS 249 CO 0.45 0.00 0.00 0.41 0.51 0.00 0.00 175.35 176.72 3juj n GLY 250 N 3.03 2.95 3.65 -3.33 0.00 -1.26 -4.81 105.19 105.42 3juj n GLY 250 Ca 0.02 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 3juj n GLY 250 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3juj s LYS 251 N -2.04 2.74 -0.07 1.61 2.20 -0.01 -4.96 119.74 119.21 3juj s LYS 251 Ca 0.00 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 3juj s LYS 251 Cb 0.00 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.70 3juj s LYS 251 CO 0.00 0.63 -0.10 0.50 -0.36 0.00 0.00 175.35 176.01 3juj s ARG 252 N -1.40 1.55 -0.19 4.03 3.00 -1.26 -0.10 118.95 124.59 3juj s ARG 252 Ca 0.18 -0.35 -0.09 0.00 -1.00 0.00 0.00 55.73 54.47 3juj s ARG 252 Cb -0.11 -1.35 -0.05 0.00 0.00 0.00 0.00 34.95 33.44 3juj s ARG 252 CO 0.08 -0.03 0.11 0.71 0.00 0.00 0.00 175.30 176.17 3juj s TYR 253 N 0.84 3.38 -0.95 5.12 1.51 0.55 -4.95 117.35 122.85 3juj s TYR 253 Ca -0.12 0.28 -0.18 0.00 -1.01 0.00 0.00 57.07 56.05 3juj s TYR 253 Cb -0.15 -2.11 0.14 0.00 -0.11 0.00 0.00 41.96 39.73 3juj s TYR 253 CO 0.02 0.30 1.14 0.34 -1.11 0.00 0.00 175.55 176.23 3juj s ASP 254 N 0.22 6.69 0.00 2.29 3.68 -1.26 -1.83 116.67 126.45 3juj s ASP 254 Ca 0.07 -2.19 0.00 0.00 2.13 0.00 0.00 52.55 52.57 3juj s ASP 254 Cb -0.11 -2.39 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 3juj s ASP 254 CO -0.01 -1.00 0.69 0.00 0.13 0.00 0.00 175.17 174.98 3juj h GLY 256 N 4.80 0.00 -4.80 0.00 0.00 -1.87 -3.42 103.07 97.77 3juj h GLY 256 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3juj h GLY 256 CO 0.00 0.00 -0.73 -1.35 0.00 0.00 0.00 176.54 174.46 3juj s SER 257 N -6.19 4.39 0.46 0.19 1.04 -1.08 -4.91 113.70 107.60 3juj s SER 257 Ca 0.01 -0.18 0.17 0.00 0.48 0.00 0.00 55.95 56.44 3juj s SER 257 Cb 0.10 -0.98 1.13 0.00 0.10 0.00 0.00 66.02 66.37 3juj s SER 257 CO 0.64 0.30 1.98 -0.37 0.98 0.00 0.00 173.24 176.78 3juj h VAL 258 N 3.97 0.85 -0.73 5.02 -1.51 -1.86 -0.40 116.25 121.58 3juj h VAL 258 Ca -0.48 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3juj h VAL 258 Cb 1.16 0.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.82 3juj h VAL 258 CO 0.52 0.05 0.46 -0.08 -1.23 0.00 0.00 177.57 177.29 3juj h GLU 259 N 0.29 0.97 -0.30 5.19 4.81 -1.95 0.29 114.58 123.88 3juj h GLU 259 Ca 0.27 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 3juj h GLU 259 Cb 0.68 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3juj h GLU 259 CO -0.06 0.67 -0.47 0.78 -0.73 0.00 0.00 179.01 179.20 3juj h GLY 260 N 0.99 0.87 0.33 1.92 0.00 -1.23 -1.19 103.07 104.75 3juj h GLY 260 Ca 0.26 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3juj h GLY 260 CO -0.05 0.85 -0.32 -1.82 0.00 0.00 0.00 176.54 175.20 3juj h TYR 261 N 0.63 -0.88 -0.19 5.60 3.20 -0.31 0.32 116.97 125.35 3juj h TYR 261 Ca 0.03 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3juj h TYR 261 Cb 1.05 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.59 3juj h TYR 261 CO 0.06 -0.42 -0.36 0.82 -1.64 0.00 0.00 178.16 176.62 3juj h ILE 262 N -0.64 0.22 -0.55 1.81 1.08 -0.47 -1.02 117.51 117.95 3juj h ILE 262 Ca -0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 3juj h ILE 262 Cb 0.55 0.22 -0.10 0.00 -3.07 0.00 0.00 36.82 34.43 3juj h ILE 262 CO -0.03 0.00 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.31 3juj h GLU 263 N -0.40 0.08 -0.73 2.37 4.81 -1.08 -0.16 114.58 119.47 3juj h GLU 263 Ca 0.10 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3juj h GLU 263 Cb 0.57 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 3juj h GLU 263 CO -0.41 0.05 0.41 0.00 -0.73 0.00 0.00 179.01 178.33 3juj h ALA 264 N 1.51 0.99 0.26 2.92 0.00 0.55 0.31 119.26 125.81 3juj h ALA 264 Ca 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3juj h ALA 264 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3juj h ALA 264 CO -0.50 0.08 -0.18 0.77 0.00 0.00 0.00 179.25 179.42 3juj h SER 265 N 0.73 -0.47 -0.81 0.00 0.02 0.19 0.37 113.55 113.58 3juj h SER 265 Ca 0.33 0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.51 3juj h SER 265 Cb 0.24 0.14 -0.14 0.00 0.14 0.00 0.00 62.40 62.79 3juj h SER 265 CO -0.20 -0.27 0.10 0.78 -1.14 0.00 0.00 176.83 176.11 3juj h ASN 266 N -0.42 -0.19 -0.46 3.07 2.35 -1.09 0.48 115.58 119.32 3juj h ASN 266 Ca -0.03 0.20 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 3juj h ASN 266 Cb 0.34 0.31 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 3juj h ASN 266 CO 0.02 -0.16 0.13 0.00 -1.65 0.00 0.00 177.43 175.77 3juj h ALA 267 N 1.74 0.54 0.00 -0.83 0.00 0.18 0.31 119.26 121.20 3juj h ALA 267 Ca 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 3juj h ALA 267 Cb 0.88 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3juj h ALA 267 CO -0.66 -0.27 -0.05 1.88 0.00 0.00 0.00 179.25 180.16 3juj h TYR 268 N 0.29 0.00 -0.00 0.00 0.05 0.27 -2.52 116.97 115.06 3juj h TYR 268 Ca 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 3juj h TYR 268 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3juj h TYR 268 CO -0.18 0.04 -0.05 -0.92 -1.05 0.00 0.00 178.16 175.99 3juj h TYR 269 N 0.00 0.05 -0.56 4.88 3.20 0.37 -3.23 116.97 121.68 3juj h TYR 269 Ca -0.00 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.95 3juj h TYR 269 Cb 1.03 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.19 3juj h TYR 269 CO 0.00 0.82 -0.14 0.87 -1.64 0.00 0.00 178.16 178.07 3juj h LYS 270 N -0.72 0.00 0.00 1.82 6.56 -0.42 0.55 116.57 124.36 3juj h LYS 270 Ca -0.01 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3juj h LYS 270 Cb 0.83 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 3juj h LYS 270 CO 0.01 0.00 0.01 1.17 -2.06 0.00 0.00 179.45 178.58 3juj n LYS 271 N -5.39 0.00 -1.98 3.15 4.81 -0.95 -3.75 118.16 114.04 3juj n LYS 271 Ca 0.06 0.12 -0.41 0.00 -0.87 0.00 0.00 58.31 57.21 3juj n LYS 271 Cb 0.29 -1.51 -0.00 0.00 0.02 0.00 0.00 35.03 33.83 3juj n LYS 271 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3juj n ARG 272 N -1.10 3.92 0.00 1.64 5.12 0.19 -5.07 116.66 121.37 3juj n ARG 272 Ca 0.00 -3.20 0.00 0.00 -1.93 0.00 0.00 57.85 52.72 3juj n ARG 272 Cb 0.01 -2.83 0.00 0.00 -1.16 0.00 0.00 32.46 28.47 3juj n ARG 272 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17