#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwg h LYS 3 N 0.00 0.48 0.00 3.23 1.63 -2.00 -2.07 116.57 117.84 3bwg h LYS 3 Ca 0.00 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 3bwg h LYS 3 Cb 0.00 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3bwg h LYS 3 CO 0.00 0.53 -0.23 0.10 -3.45 0.00 0.00 179.45 176.40 3bwg h TYR 4 N 0.46 0.00 -0.06 1.91 -0.00 -1.96 -2.24 116.97 115.07 3bwg h TYR 4 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.70 3bwg h TYR 4 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.09 3bwg h TYR 4 CO 0.01 0.23 -0.44 0.37 -0.00 0.00 0.00 178.16 178.34 3bwg h GLN 5 N 0.00 0.40 -0.56 0.10 -0.00 -1.77 -2.48 115.11 110.80 3bwg h GLN 5 Ca -0.00 -0.35 -0.01 0.00 -0.00 0.00 0.00 58.65 58.28 3bwg h GLN 5 Cb 0.59 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.12 3bwg h GLN 5 CO 0.03 1.00 0.31 0.37 0.00 0.00 0.00 178.83 180.54 3bwg h GLN 6 N -0.07 0.79 -0.13 1.69 5.75 -1.37 -2.27 115.11 119.49 3bwg h GLN 6 Ca -0.04 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3bwg h GLN 6 Cb 1.10 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 3bwg h GLN 6 CO 0.09 0.60 0.06 0.82 -2.65 0.00 0.00 178.83 177.76 3bwg h ILE 7 N 0.76 1.12 -0.67 2.39 1.08 -1.51 -1.70 117.51 118.98 3bwg h ILE 7 Ca 0.20 -0.34 0.14 0.00 -0.39 0.00 0.00 64.86 64.46 3bwg h ILE 7 Cb 0.04 1.11 -0.12 0.00 -3.07 0.00 0.00 36.82 34.78 3bwg h ILE 7 CO -0.03 0.11 -0.12 0.00 -0.69 0.00 0.00 178.15 177.42 3bwg h ALA 8 N 0.94 0.51 -0.62 1.87 0.00 -1.35 -0.82 119.26 119.79 3bwg h ALA 8 Ca 0.05 0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3bwg h ALA 8 Cb 0.12 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3bwg h ALA 8 CO -0.01 -0.42 0.03 1.15 0.00 0.00 0.00 179.25 180.00 3bwg h THR 9 N 0.03 1.27 -0.29 0.00 2.02 -0.96 -1.76 112.91 113.21 3bwg h THR 9 Ca 0.33 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 3bwg h THR 9 Cb 0.53 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3bwg h THR 9 CO -0.66 0.41 -0.22 -0.33 0.37 0.00 0.00 175.52 175.10 3bwg h GLU 10 N 0.98 0.55 -0.16 6.66 5.08 -0.85 -1.61 114.58 125.23 3bwg h GLU 10 Ca 0.18 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3bwg h GLU 10 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3bwg h GLU 10 CO 0.03 0.73 0.06 0.82 -1.00 0.00 0.00 179.01 179.64 3bwg h ILE 11 N 0.49 1.17 -0.50 3.13 2.04 -0.85 0.08 117.51 123.07 3bwg h ILE 11 Ca 0.08 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.51 3bwg h ILE 11 Cb 0.64 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 37.84 3bwg h ILE 11 CO 0.05 0.16 -0.15 -0.33 0.00 0.00 0.00 178.15 177.88 3bwg h GLU 12 N 0.10 -0.03 -0.56 2.37 5.08 -1.21 -1.33 114.58 119.00 3bwg h GLU 12 Ca 0.05 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3bwg h GLU 12 Cb 0.20 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3bwg h GLU 12 CO -0.00 -0.02 0.21 1.15 -1.00 0.00 0.00 179.01 179.35 3bwg h THR 13 N -0.04 0.82 -0.86 1.13 2.02 -1.14 -1.37 112.91 113.47 3bwg h THR 13 Ca 0.24 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.38 3bwg h THR 13 Cb 0.40 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3bwg h THR 13 CO -0.53 0.07 0.51 0.22 0.37 0.00 0.00 175.52 176.16 3bwg h TYR 14 N 0.40 0.92 0.21 3.16 5.03 -0.61 0.67 116.97 126.76 3bwg h TYR 14 Ca 0.27 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 3bwg h TYR 14 Cb 0.30 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.30 3bwg h TYR 14 CO -0.16 0.38 -0.10 0.82 -1.32 0.00 0.00 178.16 177.78 3bwg h ILE 15 N 0.85 0.83 -0.09 1.81 2.04 -0.36 -1.45 117.51 121.13 3bwg h ILE 15 Ca 0.41 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 66.11 3bwg h ILE 15 Cb 0.37 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3bwg h ILE 15 CO -0.24 0.05 -0.25 -0.33 0.00 0.00 0.00 178.15 177.37 3bwg h GLU 16 N -0.39 -0.33 -0.57 2.37 3.07 -1.14 0.01 114.58 117.60 3bwg h GLU 16 Ca -0.03 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 3bwg h GLU 16 Cb 0.30 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3bwg h GLU 16 CO 0.05 -0.22 -0.04 0.93 -1.40 0.00 0.00 179.01 178.33 3bwg h GLU 17 N -0.34 1.04 -0.04 2.33 5.08 -0.81 0.23 114.58 122.09 3bwg h GLU 17 Ca 0.09 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3bwg h GLU 17 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3bwg h GLU 17 CO -0.29 1.05 0.00 0.72 -1.00 0.00 0.00 179.01 179.49 3bwg n HIS 18 N -4.18 0.05 -4.12 4.33 8.25 -0.55 -4.91 115.22 114.09 3bwg n HIS 18 Ca 0.02 -0.02 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 3bwg n HIS 18 Cb 0.37 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 3bwg n HIS 18 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3bwg n GLN 19 N -0.54 -3.72 -2.13 -0.41 6.02 0.07 -4.92 117.38 111.74 3bwg n GLN 19 Ca 0.14 0.43 -0.41 0.00 -0.01 0.00 0.00 57.00 57.15 3bwg n GLN 19 Cb 0.11 -5.11 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 3bwg n GLN 19 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bwg s LEU 20 N -7.23 4.42 0.42 1.08 1.43 -0.08 -5.02 118.68 113.69 3bwg s LEU 20 Ca 0.62 2.61 0.08 0.00 -1.03 0.00 0.00 54.13 56.40 3bwg s LEU 20 Cb -0.33 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3bwg s LEU 20 CO 0.90 -0.55 0.34 0.00 0.23 0.00 0.00 176.35 177.27 3bwg s GLN 21 N -1.13 2.47 0.12 1.70 -2.07 -1.26 -4.88 119.66 114.61 3bwg s GLN 21 Ca 0.53 -1.60 -0.35 0.00 -1.82 0.00 0.00 55.36 52.11 3bwg s GLN 21 Cb -0.39 -2.30 -0.16 0.00 -1.09 0.00 0.00 33.01 29.07 3bwg s GLN 21 CO 0.47 -0.19 1.25 0.94 -1.32 0.00 0.00 175.29 176.45 3bwg n GLN 22 N -1.49 1.13 0.00 9.60 7.27 -1.24 -1.93 117.38 130.71 3bwg n GLN 22 Ca 0.03 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.50 3bwg n GLN 22 Cb 0.62 -1.98 0.00 0.00 2.41 0.00 0.00 30.24 31.29 3bwg n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3bwg n GLY 23 N 2.28 2.44 3.77 1.69 0.00 0.16 -4.95 105.19 110.59 3bwg n GLY 23 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3bwg n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bwg s ASP 24 N -1.68 6.69 0.03 1.61 1.01 -0.82 -4.71 116.67 118.82 3bwg s ASP 24 Ca 0.00 2.76 -0.26 0.00 0.71 0.00 0.00 52.55 55.76 3bwg s ASP 24 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3bwg s ASP 24 CO 0.00 -0.60 0.79 -0.75 0.21 0.00 0.00 175.17 174.82 3bwg s LYS 25 N -1.85 4.51 0.59 8.23 2.20 -1.26 -0.88 119.74 131.28 3bwg s LYS 25 Ca 0.50 1.10 -0.06 0.00 -0.36 0.00 0.00 55.97 57.15 3bwg s LYS 25 Cb -0.41 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 3bwg s LYS 25 CO 0.55 0.23 0.90 -0.51 -0.36 0.00 0.00 175.35 176.16 3bwg s LEU 26 N 0.11 3.25 0.39 5.43 1.43 0.84 -4.94 118.68 125.20 3bwg s LEU 26 Ca 0.40 0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 3bwg s LEU 26 Cb -0.20 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.32 3bwg s LEU 26 CO 0.23 -1.04 0.76 -2.65 0.23 0.00 0.00 176.35 173.89 3bwg n PRO 27 N -2.57 0.90 -1.59 1.29 -0.02 -1.26 -4.71 135.00 127.03 3bwg n PRO 27 Ca 0.04 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 3bwg n PRO 27 Cb 0.57 -1.70 0.06 0.00 -0.02 0.00 0.00 33.50 32.41 3bwg n PRO 27 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bwg s VAL 28 N -1.32 3.38 0.22 -1.45 0.11 -1.26 -4.75 120.40 115.34 3bwg s VAL 28 Ca 0.63 0.56 -0.19 0.00 -2.93 0.00 0.00 61.98 60.04 3bwg s VAL 28 Cb -0.62 -3.08 0.20 0.00 -1.53 0.00 0.00 36.38 31.35 3bwg s VAL 28 CO 0.58 -0.48 1.55 -0.11 -3.33 0.00 0.00 175.10 173.30 3bwg n LEU 29 N -2.84 -0.70 0.26 2.54 0.00 -1.26 -0.68 117.00 114.31 3bwg n LEU 29 Ca 0.10 1.75 0.09 0.00 0.00 0.00 0.00 56.01 57.95 3bwg n LEU 29 Cb 0.53 -0.38 0.67 0.00 0.00 0.00 0.00 43.42 44.23 3bwg n LEU 29 CO 0.50 -1.55 1.00 -0.33 0.00 0.00 0.00 177.39 177.01 3bwg h GLU 30 N 0.00 0.00 -0.24 1.96 4.39 -2.01 -2.22 114.58 116.45 3bwg h GLU 30 Ca 0.32 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.85 3bwg h GLU 30 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3bwg h GLU 30 CO -0.99 0.09 -0.51 1.15 -1.16 0.00 0.00 179.01 177.59 3bwg h THR 31 N 0.00 1.30 0.00 1.13 2.02 -1.25 -2.22 112.91 113.88 3bwg h THR 31 Ca -0.00 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.46 3bwg h THR 31 Cb 0.18 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3bwg h THR 31 CO 0.01 0.55 0.00 0.18 0.37 0.00 0.00 175.52 176.63 3bwg n LEU 32 N -4.10 0.70 0.00 2.58 4.77 -0.84 -0.43 117.00 119.69 3bwg n LEU 32 Ca -0.05 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3bwg n LEU 32 Cb 0.61 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3bwg n LEU 32 CO 0.49 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 3bwg n ALA 34 N 0.66 0.00 -0.04 -1.18 0.00 -0.84 -1.29 120.51 117.82 3bwg n ALA 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3bwg n ALA 34 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 3bwg n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3bwg h GLN 35 N 0.00 -0.30 -0.46 0.00 4.15 -1.01 -2.77 115.11 114.72 3bwg h GLN 35 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3bwg h GLN 35 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3bwg h GLN 35 CO 0.00 -0.20 0.00 1.19 -1.93 0.00 0.00 178.83 177.89 3bwg n PHE 36 N -4.34 0.62 -3.89 3.99 3.72 -0.41 -4.95 117.46 112.20 3bwg n PHE 36 Ca -0.03 -0.30 -0.33 0.00 -0.05 0.00 0.00 57.45 56.73 3bwg n PHE 36 Cb 0.22 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 3bwg n PHE 36 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3bwg n GLU 37 N 0.78 -0.99 -4.21 -1.08 1.02 -1.05 -4.98 120.64 110.14 3bwg n GLU 37 Ca 0.15 0.48 -0.12 0.00 -0.02 0.00 0.00 57.16 57.65 3bwg n GLU 37 Cb 0.39 -2.53 -0.10 0.00 -0.02 0.00 0.00 31.44 29.18 3bwg n GLU 37 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3bwg s VAL 38 N -3.23 0.03 0.90 2.62 -7.23 -1.26 -5.05 120.40 107.18 3bwg s VAL 38 Ca 0.22 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3bwg s VAL 38 Cb -0.12 -2.51 0.13 0.00 0.56 0.00 0.00 36.38 34.45 3bwg s VAL 38 CO 0.92 0.00 1.10 -0.55 -0.31 0.00 0.00 175.10 176.27 3bwg s SER 39 N -3.17 3.30 0.22 4.85 0.15 -1.26 -4.77 113.70 113.02 3bwg s SER 39 Ca 0.39 1.84 -0.08 0.00 0.70 0.00 0.00 55.95 58.80 3bwg s SER 39 Cb 0.07 -2.43 0.24 0.00 -1.71 0.00 0.00 66.02 62.19 3bwg s SER 39 CO 0.12 -2.80 1.86 0.50 1.20 0.00 0.00 173.24 174.11 3bwg h LYS 40 N -1.66 0.91 -0.29 5.44 3.64 -1.99 -2.09 116.57 120.53 3bwg h LYS 40 Ca -0.47 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.77 3bwg h LYS 40 Cb 1.27 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3bwg h LYS 40 CO 0.49 0.60 -0.18 1.03 -2.27 0.00 0.00 179.45 179.11 3bwg h SER 41 N 0.94 0.51 -0.27 4.20 0.87 -1.99 -0.58 113.55 117.22 3bwg h SER 41 Ca 0.32 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3bwg h SER 41 Cb 0.05 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3bwg h SER 41 CO -0.13 0.71 -0.10 0.74 -0.53 0.00 0.00 176.83 177.52 3bwg h THR 42 N 0.47 1.29 -0.66 2.23 2.02 -1.87 -2.48 112.91 113.91 3bwg h THR 42 Ca 0.08 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 3bwg h THR 42 Cb 0.58 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3bwg h THR 42 CO 0.04 0.36 0.24 0.40 0.37 0.00 0.00 175.52 176.93 3bwg h ILE 43 N 0.29 1.25 -0.92 3.11 1.08 -1.14 -2.36 117.51 118.82 3bwg h ILE 43 Ca 0.06 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 63.79 3bwg h ILE 43 Cb 0.59 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 3bwg h ILE 43 CO 0.03 0.31 0.60 0.74 -0.69 0.00 0.00 178.15 179.15 3bwg h THR 44 N 0.95 1.10 -0.20 -0.27 2.02 -1.03 -0.15 112.91 115.32 3bwg h THR 44 Ca 0.22 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.88 3bwg h THR 44 Cb 0.25 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3bwg h THR 44 CO -0.01 0.20 -0.48 0.11 0.37 0.00 0.00 175.52 175.71 3bwg h LYS 45 N 1.08 0.53 -0.62 6.66 1.57 -1.25 -2.01 116.57 122.53 3bwg h LYS 45 Ca 0.39 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3bwg h LYS 45 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3bwg h LYS 45 CO -0.14 0.89 0.09 0.77 -0.57 0.00 0.00 179.45 180.49 3bwg h SER 46 N 0.42 1.00 -0.37 0.86 0.02 -0.84 -2.65 113.55 111.99 3bwg h SER 46 Ca 0.02 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 3bwg h SER 46 Cb 0.99 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3bwg h SER 46 CO 0.09 1.01 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.68 3bwg h LEU 47 N 0.94 0.75 -0.03 5.07 3.38 -0.90 -2.42 115.31 122.10 3bwg h LEU 47 Ca 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3bwg h LEU 47 Cb 0.45 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3bwg h LEU 47 CO 0.01 0.85 0.01 -0.33 0.09 0.00 0.00 178.44 179.07 3bwg h GLU 48 N 0.71 0.05 -0.41 1.13 4.39 -1.22 -2.04 114.58 117.20 3bwg h GLU 48 Ca 0.13 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.90 3bwg h GLU 48 Cb 0.50 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 3bwg h GLU 48 CO 0.03 0.26 -0.36 1.25 -1.16 0.00 0.00 179.01 179.03 3bwg h LEU 49 N -0.17 -1.21 -1.01 1.33 5.85 -1.39 -0.99 115.31 117.72 3bwg h LEU 49 Ca 0.01 0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.03 3bwg h LEU 49 Cb 0.23 0.55 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 3bwg h LEU 49 CO 0.00 -0.34 0.64 -0.07 -0.34 0.00 0.00 178.44 178.33 3bwg h LEU 50 N -0.27 0.98 0.01 2.25 4.07 -1.37 -0.70 115.31 120.28 3bwg h LEU 50 Ca 0.17 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 3bwg h LEU 50 Cb 0.56 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3bwg h LEU 50 CO -0.56 0.58 -0.00 -0.08 -1.08 0.00 0.00 178.44 177.29 3bwg h GLU 51 N 1.09 -0.01 0.00 1.13 4.81 -0.61 0.52 114.58 121.51 3bwg h GLU 51 Ca 0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 3bwg h GLU 51 Cb 0.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3bwg h GLU 51 CO -0.22 0.41 -0.09 -0.56 -0.73 0.00 0.00 179.01 177.82 3bwg h GLN 52 N -0.43 0.00 0.00 1.92 3.07 -1.07 -0.26 115.11 118.34 3bwg h GLN 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3bwg h GLN 52 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 3bwg h GLN 52 CO 0.00 0.09 0.00 1.17 0.09 0.00 0.00 178.83 180.18 3bwg n LYS 53 N -3.46 0.63 -1.35 0.06 4.81 -0.28 -4.92 118.16 113.66 3bwg n LYS 53 Ca -0.02 0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3bwg n LYS 53 Cb 0.23 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 3bwg n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bwg n GLY 54 N 1.00 1.30 0.12 3.14 0.00 -0.11 -4.89 105.19 105.75 3bwg n GLY 54 Ca 0.17 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 3bwg n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwg h ALA 55 N 0.00 0.15 -2.33 4.61 0.00 -1.12 -3.16 119.26 117.40 3bwg h ALA 55 Ca -0.25 -1.01 -0.17 0.00 0.00 0.00 0.00 54.91 53.48 3bwg h ALA 55 Cb 0.81 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.64 3bwg h ALA 55 CO 0.36 1.02 -0.66 0.96 0.00 0.00 0.00 179.25 180.92 3bwg s ILE 56 N -2.62 0.25 0.11 0.00 -4.36 -1.20 -1.29 121.20 112.09 3bwg s ILE 56 Ca -0.08 -1.88 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 3bwg s ILE 56 Cb 0.06 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 3bwg s ILE 56 CO 0.88 -0.70 -0.10 0.72 0.24 0.00 0.00 174.94 175.98 3bwg s PHE 57 N -3.93 1.11 -0.06 1.37 -0.71 -0.06 -4.31 117.98 111.39 3bwg s PHE 57 Ca 0.17 -0.73 0.05 0.00 -1.04 0.00 0.00 56.93 55.37 3bwg s PHE 57 Cb 0.07 -0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 41.29 3bwg s PHE 57 CO -0.03 0.01 -0.21 -0.65 -1.34 0.00 0.00 175.22 172.99 3bwg s GLN 58 N -3.30 2.28 -0.29 1.99 -0.21 -1.26 -0.70 119.66 118.16 3bwg s GLN 58 Ca 0.10 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.75 3bwg s GLN 58 Cb 0.00 -1.91 0.08 0.00 1.00 0.00 0.00 33.01 32.18 3bwg s GLN 58 CO -0.01 0.29 -0.04 0.14 -2.12 0.00 0.00 175.29 173.55 3bwg s VAL 59 N 0.02 2.17 0.29 1.09 -7.23 0.04 -5.02 120.40 111.75 3bwg s VAL 59 Ca -0.06 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 3bwg s VAL 59 Cb -0.14 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 34.28 3bwg s VAL 59 CO 0.04 -0.27 1.50 -0.13 -0.31 0.00 0.00 175.10 175.93 3bwg s ARG 60 N 1.04 4.19 0.00 4.82 0.52 -1.26 -1.43 118.95 126.83 3bwg s ARG 60 Ca -0.01 2.45 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 3bwg s ARG 60 Cb -0.20 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.23 3bwg s ARG 60 CO -0.07 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.15 3bwg n GLY 61 N 1.84 2.99 0.00 -3.53 0.00 -1.26 -4.85 105.19 100.38 3bwg n GLY 61 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3bwg n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bwg n SER 62 N 0.58 2.86 0.00 1.61 3.41 -0.60 -5.16 113.62 116.32 3bwg n SER 62 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3bwg n SER 62 Cb 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3bwg n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bwg n GLY 63 N 1.66 -0.05 3.43 5.00 0.00 -0.51 -5.01 105.19 109.71 3bwg n GLY 63 Ca 0.00 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3bwg n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bwg s ILE 64 N -2.72 3.61 0.12 -0.61 1.01 -1.26 -0.78 121.20 120.56 3bwg s ILE 64 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3bwg s ILE 64 Cb 0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3bwg s ILE 64 CO 0.00 0.48 -0.14 -0.36 0.00 0.00 0.00 174.94 174.93 3bwg s PHE 65 N 0.61 1.37 0.17 3.97 0.08 0.12 -0.11 117.98 124.19 3bwg s PHE 65 Ca -0.04 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 3bwg s PHE 65 Cb -0.15 -0.72 -0.08 0.00 -0.57 0.00 0.00 43.02 41.51 3bwg s PHE 65 CO 0.03 0.13 1.21 0.08 -0.10 0.00 0.00 175.22 176.57 3bwg s VAL 66 N -2.15 3.58 -0.16 -0.44 1.01 -0.06 -0.88 120.40 121.31 3bwg s VAL 66 Ca 0.08 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.45 3bwg s VAL 66 Cb -0.05 -3.83 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 3bwg s VAL 66 CO 0.03 0.19 -0.04 -1.14 0.00 0.00 0.00 175.10 174.14 3bwg n ARG 67 N 2.71 1.14 -1.59 2.72 3.00 -0.41 -0.66 116.66 123.57 3bwg n ARG 67 Ca 0.05 0.04 -0.52 0.00 -0.00 0.00 0.00 57.85 57.42 3bwg n ARG 67 Cb 0.45 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.47 3bwg n ARG 67 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3bwg n LYS 68 N -2.75 1.12 -1.48 -0.14 2.85 -1.20 -4.83 118.16 111.73 3bwg n LYS 68 Ca -0.28 0.40 -0.37 0.00 -1.05 0.00 0.00 58.31 57.01 3bwg n LYS 68 Cb 0.93 -2.02 0.05 0.00 -0.65 0.00 0.00 35.03 33.34 3bwg n LYS 68 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 3bwg n HIS 69 N 2.35 0.02 -1.40 5.58 1.44 -1.26 -3.68 115.22 118.27 3bwg n HIS 69 Ca 0.18 0.42 -0.29 0.00 -2.01 0.00 0.00 57.72 56.01 3bwg n HIS 69 Cb 0.20 -2.03 0.19 0.00 0.12 0.00 0.00 29.99 28.47 3bwg n HIS 69 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3bwg s LYS 70 N -2.61 0.00 0.21 -1.40 1.02 -1.26 -4.78 119.74 110.93 3bwg s LYS 70 Ca 0.72 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.72 3bwg s LYS 70 Cb -0.40 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 3bwg s LYS 70 CO 0.51 -2.91 0.00 0.54 -0.92 0.00 0.00 175.35 172.57 3bwg n ARG 71 N -4.21 -1.29 -4.28 1.68 1.74 -1.26 -5.06 116.66 103.98 3bwg n ARG 71 Ca 0.11 1.03 -0.19 0.00 -0.77 0.00 0.00 57.85 58.03 3bwg n ARG 71 Cb 0.59 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.56 3bwg n ARG 71 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3bwg s LYS 72 N -3.97 1.14 0.00 5.56 1.02 -1.26 -4.83 119.74 117.41 3bwg s LYS 72 Ca 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.64 3bwg s LYS 72 Cb 0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 3bwg s LYS 72 CO 0.00 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 3bwg n GLY 73 N 0.27 0.65 3.78 -3.33 0.00 -1.26 -5.03 105.19 100.27 3bwg n GLY 73 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3bwg n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bwg s TYR 74 N -2.15 3.68 -0.00 1.61 2.02 -1.26 -4.75 117.35 116.50 3bwg s TYR 74 Ca 0.00 1.08 -0.27 0.00 -0.37 0.00 0.00 57.07 57.51 3bwg s TYR 74 Cb 0.00 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 3bwg s TYR 74 CO 0.00 0.44 0.84 0.42 -1.57 0.00 0.00 175.55 175.68 3bwg s ILE 75 N -0.45 4.86 -0.21 2.71 1.01 -0.25 -4.74 121.20 124.13 3bwg s ILE 75 Ca 0.27 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.40 3bwg s ILE 75 Cb -0.17 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3bwg s ILE 75 CO 0.15 0.25 1.97 -0.55 0.00 0.00 0.00 174.94 176.75 3bwg s SER 76 N 0.61 5.87 0.22 3.58 0.15 -1.26 -0.90 113.70 121.98 3bwg s SER 76 Ca 0.44 1.80 -0.08 0.00 0.70 0.00 0.00 55.95 58.81 3bwg s SER 76 Cb -0.20 -2.52 0.19 0.00 -1.71 0.00 0.00 66.02 61.78 3bwg s SER 76 CO 0.24 -1.64 1.86 0.25 1.20 0.00 0.00 173.24 175.14 3bwg h LEU 77 N 13.49 1.06 -9.18 3.45 5.85 -1.39 -3.40 115.31 125.19 3bwg h LEU 77 Ca -0.39 -0.09 -0.60 0.00 0.84 0.00 0.00 57.88 57.65 3bwg h LEU 77 Cb 1.20 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 3bwg h LEU 77 CO 0.98 0.83 -0.16 -0.76 -0.34 0.00 0.00 178.44 179.00 3bwg s LEU 78 N -9.97 4.18 0.15 2.25 1.43 -1.26 -5.05 118.68 110.41 3bwg s LEU 78 Ca -0.13 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 3bwg s LEU 78 Cb 0.16 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3bwg s LEU 78 CO 0.82 -0.07 1.13 -0.44 0.23 0.00 0.00 176.35 178.01 3bwg s SER 79 N 0.95 7.20 -0.84 2.29 0.01 -1.26 -4.41 113.70 117.64 3bwg s SER 79 Ca 0.21 2.08 -0.04 0.00 1.31 0.00 0.00 55.95 59.52 3bwg s SER 79 Cb -0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3bwg s SER 79 CO 0.08 -0.29 0.75 0.59 0.41 0.00 0.00 173.24 174.78 3bwg n ASN 80 N 2.74 -6.30 0.00 2.44 4.13 -1.26 -5.09 115.26 111.92 3bwg n ASN 80 Ca 0.04 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 55.84 3bwg n ASN 80 Cb 0.46 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 3bwg n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3bwg n GLN 81 N -2.64 3.70 0.06 3.52 6.02 -1.26 -5.18 117.38 121.59 3bwg n GLN 81 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3bwg n GLN 81 Cb 0.58 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.52 3bwg n GLN 81 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3bwg n ASP 86 N -0.02 -1.04 0.00 1.08 10.43 -1.26 -4.85 116.55 120.89 3bwg n ASP 86 Ca 0.00 0.59 0.00 0.00 2.57 0.00 0.00 54.79 57.95 3bwg n ASP 86 Cb 0.00 1.33 0.00 0.00 1.84 0.00 0.00 41.12 44.29 3bwg n ASP 86 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3bwg n LEU 87 N -3.08 0.00 0.33 0.64 0.00 -1.26 -0.94 117.00 112.69 3bwg n LEU 87 Ca 0.00 0.43 0.21 0.00 0.00 0.00 0.00 56.01 56.66 3bwg n LEU 87 Cb 0.00 -0.19 1.13 0.00 0.00 0.00 0.00 43.42 44.35 3bwg n LEU 87 CO 0.00 -0.19 1.16 -0.33 0.00 0.00 0.00 177.39 178.02 3bwg h GLU 88 N 0.00 0.00 -0.02 1.96 4.39 -2.00 -2.30 114.58 116.61 3bwg h GLU 88 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bwg h GLU 88 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3bwg h GLU 88 CO 0.00 0.00 -0.31 -0.40 -1.16 0.00 0.00 179.01 177.15 3bwg n ASP 89 N -3.17 2.07 -4.56 1.42 5.75 -0.11 -4.65 116.55 113.29 3bwg n ASP 89 Ca -0.03 -1.54 -0.29 0.00 -0.01 0.00 0.00 54.79 52.93 3bwg n ASP 89 Cb 0.10 0.35 0.22 0.00 -1.03 0.00 0.00 41.12 40.77 3bwg n ASP 89 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3bwg s PHE 90 N -2.08 1.55 -1.29 2.11 0.08 -0.87 -4.92 117.98 112.56 3bwg s PHE 90 Ca 0.18 1.27 -0.13 0.00 0.12 0.00 0.00 56.93 58.37 3bwg s PHE 90 Cb 0.16 -3.16 0.13 0.00 -0.57 0.00 0.00 43.02 39.58 3bwg s PHE 90 CO 0.43 -3.49 1.74 -1.71 -0.10 0.00 0.00 175.22 172.10 3bwg n ASN 91 N -4.65 4.93 -4.57 1.36 2.85 -1.26 -4.94 115.26 108.97 3bwg n ASN 91 Ca 0.05 -2.98 -0.38 0.00 -0.11 0.00 0.00 54.58 51.16 3bwg n ASN 91 Cb 0.54 -1.60 -0.11 0.00 1.24 0.00 0.00 39.78 39.86 3bwg n ASN 91 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3bwg s VAL 92 N 2.03 5.18 0.34 3.44 0.11 -1.25 -2.67 120.40 127.57 3bwg s VAL 92 Ca 0.45 0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.70 3bwg s VAL 92 Cb 0.05 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.38 3bwg s VAL 92 CO 0.01 0.26 0.05 0.42 -3.33 0.00 0.00 175.10 172.50 3bwg s THR 93 N 1.74 2.79 -0.01 5.04 -4.23 -0.32 -4.93 115.64 115.72 3bwg s THR 93 Ca 0.07 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3bwg s THR 93 Cb -0.16 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 3bwg s THR 93 CO 0.10 -0.20 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.50 3bwg s SER 94 N -3.76 0.55 -0.28 3.99 0.01 -1.25 0.31 113.70 113.27 3bwg s SER 94 Ca 0.36 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.45 3bwg s SER 94 Cb -0.01 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 3bwg s SER 94 CO 0.20 0.04 0.11 -0.75 0.41 0.00 0.00 173.24 173.26 3bwg s LYS 95 N 0.00 3.50 -0.21 12.44 2.20 -0.23 -4.84 119.74 132.60 3bwg s LYS 95 Ca 0.00 -0.60 -0.26 0.00 -0.36 0.00 0.00 55.97 54.75 3bwg s LYS 95 Cb -0.03 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 3bwg s LYS 95 CO -0.00 -0.30 0.89 0.08 -0.36 0.00 0.00 175.35 175.66 3bwg s VAL 96 N 1.61 4.81 -0.16 4.02 1.01 -1.26 -1.98 120.40 128.45 3bwg s VAL 96 Ca 0.05 1.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 3bwg s VAL 96 Cb -0.16 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.81 3bwg s VAL 96 CO 0.05 -0.06 0.31 0.40 0.00 0.00 0.00 175.10 175.79 3bwg h ILE 97 N 5.33 0.79 -3.71 2.22 2.04 -0.93 -3.49 117.51 119.77 3bwg h ILE 97 Ca -0.25 -2.27 -0.17 0.00 1.00 0.00 0.00 64.86 63.18 3bwg h ILE 97 Cb 1.10 2.38 -0.22 0.00 -0.74 0.00 0.00 36.82 39.34 3bwg h ILE 97 CO 0.89 0.60 -0.61 -1.61 0.00 0.00 0.00 178.15 177.42 3bwg s GLU 98 N -2.46 0.32 -0.21 2.37 2.02 -0.86 -4.98 118.70 114.90 3bwg s GLU 98 Ca -0.25 -0.36 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 3bwg s GLU 98 Cb 0.06 0.13 0.09 0.00 0.10 0.00 0.00 34.13 34.51 3bwg s GLU 98 CO 0.68 -0.06 0.45 -1.17 0.02 0.00 0.00 175.26 175.18 3bwg s LEU 99 N -1.07 -0.64 0.37 1.80 2.96 -1.25 -1.74 118.68 119.11 3bwg s LEU 99 Ca -0.12 1.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.72 3bwg s LEU 99 Cb -0.07 1.49 0.05 0.00 0.50 0.00 0.00 46.19 48.16 3bwg s LEU 99 CO 0.00 -0.23 0.74 1.51 -1.32 0.00 0.00 176.35 177.06 3bwg s ASP 100 N 2.47 0.12 -0.10 3.68 1.47 -1.03 -4.99 116.67 118.28 3bwg s ASP 100 Ca -0.03 -1.17 -0.05 0.00 1.18 0.00 0.00 52.55 52.48 3bwg s ASP 100 Cb -0.11 0.82 -0.04 0.00 -0.34 0.00 0.00 42.92 43.25 3bwg s ASP 100 CO -0.14 -1.62 0.09 -0.69 0.68 0.00 0.00 175.17 173.49 3bwg s VAL 101 N -2.50 5.04 -0.04 2.11 1.01 -1.26 -0.96 120.40 123.81 3bwg s VAL 101 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 3bwg s VAL 101 Cb -0.04 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.23 3bwg s VAL 101 CO 0.12 0.59 0.72 -0.60 0.00 0.00 0.00 175.10 175.93 3bwg s ARG 102 N -1.04 1.02 0.48 2.72 3.52 -0.87 -4.97 118.95 119.80 3bwg s ARG 102 Ca 0.15 0.14 -0.21 0.00 -0.13 0.00 0.00 55.73 55.67 3bwg s ARG 102 Cb -0.12 0.48 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 3bwg s ARG 102 CO 0.04 -0.34 1.09 0.15 -0.81 0.00 0.00 175.30 175.44 3bwg s LYS 103 N -1.56 3.76 0.50 5.12 -0.14 -1.26 -0.92 119.74 125.23 3bwg s LYS 103 Ca -0.08 1.56 -0.20 0.00 -1.36 0.00 0.00 55.97 55.89 3bwg s LYS 103 Cb -0.00 -2.24 -0.08 0.00 -1.68 0.00 0.00 37.83 33.83 3bwg s LYS 103 CO 0.05 -0.50 1.04 -1.25 -0.76 0.00 0.00 175.35 173.93 3bwg s PRO 104 N -2.96 3.76 0.93 -1.68 0.04 -1.26 -4.86 135.00 128.97 3bwg s PRO 104 Ca 0.66 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 3bwg s PRO 104 Cb -0.22 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.36 3bwg s PRO 104 CO 0.27 -0.47 0.99 0.25 0.04 0.00 0.00 177.00 178.08 3bwg n THR 105 N -1.07 0.00 -0.10 1.26 -2.24 -1.26 -4.80 114.28 106.08 3bwg n THR 105 Ca 0.09 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 3bwg n THR 105 Cb 0.53 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 3bwg n THR 105 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3bwg h PRO 106 N -1.86 0.05 -0.78 -0.78 0.11 -1.99 -1.65 132.00 125.10 3bwg h PRO 106 Ca -0.44 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.84 3bwg h PRO 106 Cb 1.27 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 3bwg h PRO 106 CO 0.40 0.03 0.22 1.49 -0.21 0.00 0.00 178.00 179.94 3bwg h GLU 107 N 0.05 0.29 -0.06 1.05 4.81 -1.99 -1.49 114.58 117.24 3bwg h GLU 107 Ca 0.17 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 3bwg h GLU 107 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3bwg h GLU 107 CO -0.32 0.19 -0.75 0.00 -0.73 0.00 0.00 179.01 177.41 3bwg h ALA 108 N 1.63 0.59 -0.61 2.92 0.00 -1.83 -1.85 119.26 120.11 3bwg h ALA 108 Ca 0.45 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3bwg h ALA 108 Cb 0.78 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3bwg h ALA 108 CO -0.52 0.78 0.28 0.00 0.00 0.00 0.00 179.25 179.79 3bwg h ALA 109 N 0.94 0.78 -0.16 0.00 0.00 -0.85 0.16 119.26 120.13 3bwg h ALA 109 Ca -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3bwg h ALA 109 Cb 1.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3bwg h ALA 109 CO 0.13 0.36 -0.17 0.93 0.00 0.00 0.00 179.25 180.49 3bwg h GLU 110 N 0.83 0.40 -0.13 0.00 5.08 -1.21 0.43 114.58 119.98 3bwg h GLU 110 Ca 0.21 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3bwg h GLU 110 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3bwg h GLU 110 CO -0.02 0.78 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.54 3bwg h ASN 111 N 0.03 0.25 0.53 1.42 2.35 -1.19 -2.54 115.58 116.43 3bwg h ASN 111 Ca 0.02 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3bwg h ASN 111 Cb 0.72 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3bwg h ASN 111 CO 0.04 0.56 -0.10 0.18 -1.65 0.00 0.00 177.43 176.46 3bwg n LEU 112 N -4.11 0.27 -3.59 1.61 4.77 0.55 -4.87 117.00 111.64 3bwg n LEU 112 Ca -0.01 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.89 3bwg n LEU 112 Cb 0.41 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3bwg n LEU 112 CO 0.41 0.05 0.23 0.59 -1.33 0.00 0.00 177.39 177.34 3bwg n ASN 113 N -1.18 -5.82 -4.53 -1.43 4.13 0.25 -4.50 115.26 102.18 3bwg n ASN 113 Ca 0.12 -0.56 -0.25 0.00 1.68 0.00 0.00 54.58 55.57 3bwg n ASN 113 Cb 0.28 -5.00 -0.10 0.00 -1.54 0.00 0.00 39.78 33.41 3bwg n ASN 113 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3bwg s ILE 114 N -3.33 2.15 0.00 2.41 -4.36 0.12 -5.01 121.20 113.19 3bwg s ILE 114 Ca 0.52 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3bwg s ILE 114 Cb -0.23 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.86 3bwg s ILE 114 CO 0.73 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 176.31 3bwg n GLY 115 N -0.77 -1.27 0.00 6.27 0.00 -1.26 -4.54 105.19 103.62 3bwg n GLY 115 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3bwg n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bwg n ASP 117 N 0.00 0.00 -4.71 1.61 2.03 -1.26 -4.87 116.55 109.35 3bwg n ASP 117 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 3bwg n ASP 117 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3bwg n ASP 117 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3bwg s GLU 118 N 0.00 4.44 0.35 -0.67 2.02 -1.26 -5.03 118.70 118.55 3bwg s GLU 118 Ca 0.00 1.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.75 3bwg s GLU 118 Cb 0.00 -3.47 -0.11 0.00 0.10 0.00 0.00 34.13 30.65 3bwg s GLU 118 CO 0.00 -0.04 1.43 -0.51 0.02 0.00 0.00 175.26 176.16 3bwg s ASP 119 N 0.92 6.51 0.17 -0.19 1.01 -1.26 -4.14 116.67 119.69 3bwg s ASP 119 Ca 0.41 2.90 0.11 0.00 0.71 0.00 0.00 52.55 56.68 3bwg s ASP 119 Cb -0.18 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.05 3bwg s ASP 119 CO 0.20 -0.76 -0.23 0.27 0.21 0.00 0.00 175.17 174.86 3bwg s ILE 120 N -0.95 2.18 0.03 0.77 -5.25 -0.09 -1.94 121.20 115.95 3bwg s ILE 120 Ca 0.53 -1.95 -0.30 0.00 -0.99 0.00 0.00 60.65 57.94 3bwg s ILE 120 Cb -0.44 -2.01 -0.04 0.00 2.95 0.00 0.00 42.46 42.92 3bwg s ILE 120 CO 0.57 -0.14 0.96 -0.31 -1.79 0.00 0.00 174.94 174.23 3bwg s TYR 121 N -1.66 3.70 -0.14 1.37 1.51 0.32 -2.05 117.35 120.40 3bwg s TYR 121 Ca 0.18 1.71 -0.02 0.00 -1.01 0.00 0.00 57.07 57.93 3bwg s TYR 121 Cb -0.08 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.67 3bwg s TYR 121 CO 0.08 0.06 -0.07 -0.47 -1.11 0.00 0.00 175.55 174.04 3bwg s TYR 122 N 0.68 2.94 -0.04 2.71 5.04 -0.13 -1.10 117.35 127.46 3bwg s TYR 122 Ca 0.50 -0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.76 3bwg s TYR 122 Cb -0.22 -1.90 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 3bwg s TYR 122 CO 0.28 -0.08 -0.16 0.14 -1.34 0.00 0.00 175.55 174.39 3bwg s VAL 123 N 0.30 1.37 -0.12 3.14 -7.23 -0.04 -2.47 120.40 115.34 3bwg s VAL 123 Ca -0.06 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3bwg s VAL 123 Cb -0.15 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.64 3bwg s VAL 123 CO 0.04 0.40 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.35 3bwg s LYS 124 N -0.00 1.98 -0.03 4.82 2.20 -0.71 -0.77 119.74 127.23 3bwg s LYS 124 Ca -0.02 -0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 54.95 3bwg s LYS 124 Cb -0.11 -1.83 0.04 0.00 -1.51 0.00 0.00 37.83 34.42 3bwg s LYS 124 CO 0.02 -0.18 0.40 -0.98 -0.36 0.00 0.00 175.35 174.25 3bwg s ARG 125 N 1.36 0.76 -0.14 4.03 1.70 -0.67 -0.16 118.95 125.84 3bwg s ARG 125 Ca 0.00 -0.06 -0.05 0.00 -0.47 0.00 0.00 55.73 55.15 3bwg s ARG 125 Cb -0.13 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 3bwg s ARG 125 CO -0.06 -0.22 0.06 0.08 -1.08 0.00 0.00 175.30 174.08 3bwg s VAL 126 N -1.24 4.79 0.13 4.99 1.01 -0.84 -0.69 120.40 128.56 3bwg s VAL 126 Ca -0.13 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3bwg s VAL 126 Cb -0.04 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3bwg s VAL 126 CO 0.06 0.54 -0.09 -0.13 0.00 0.00 0.00 175.10 175.48 3bwg s ARG 127 N -0.36 2.13 -0.01 2.72 0.52 -0.12 -1.07 118.95 122.77 3bwg s ARG 127 Ca 0.09 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 3bwg s ARG 127 Cb -0.12 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 3bwg s ARG 127 CO 0.02 0.48 -0.12 0.71 0.02 0.00 0.00 175.30 176.41 3bwg s TYR 128 N -1.41 1.09 -0.22 -0.53 2.02 0.15 -0.12 117.35 118.33 3bwg s TYR 128 Ca 0.23 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 3bwg s TYR 128 Cb -0.10 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3bwg s TYR 128 CO 0.15 -0.02 -0.15 0.96 -1.57 0.00 0.00 175.55 174.92 3bwg s ILE 129 N -0.32 2.19 -1.24 2.71 -5.25 0.48 -1.17 121.20 118.60 3bwg s ILE 129 Ca 0.04 -1.23 -0.15 0.00 -0.99 0.00 0.00 60.65 58.32 3bwg s ILE 129 Cb -0.05 -2.10 -0.00 0.00 2.95 0.00 0.00 42.46 43.27 3bwg s ILE 129 CO -0.00 0.27 0.65 0.59 -1.79 0.00 0.00 174.94 174.66 3bwg n ASN 130 N 4.55 -3.40 0.00 4.36 3.02 -1.09 -2.44 115.26 120.26 3bwg n ASN 130 Ca -0.18 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3bwg n ASN 130 Cb 0.46 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 3bwg n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bwg n GLY 131 N -1.83 1.74 3.58 7.41 0.00 -1.26 -4.99 105.19 109.85 3bwg n GLY 131 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3bwg n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bwg s GLN 132 N -0.06 2.14 0.23 1.61 -1.52 -1.02 -5.09 119.66 115.94 3bwg s GLN 132 Ca 0.00 -1.06 -0.30 0.00 -1.95 0.00 0.00 55.36 52.05 3bwg s GLN 132 Cb 0.00 -2.29 -0.10 0.00 -0.22 0.00 0.00 33.01 30.40 3bwg s GLN 132 CO 0.00 0.50 1.41 0.95 -0.25 0.00 0.00 175.29 177.90 3bwg s THR 133 N -1.31 2.82 -0.27 -0.19 -4.23 -1.26 -0.39 115.64 110.80 3bwg s THR 133 Ca 0.22 0.67 -0.11 0.00 -1.18 0.00 0.00 61.69 61.29 3bwg s THR 133 Cb -0.11 -3.43 -0.13 0.00 1.34 0.00 0.00 72.50 70.17 3bwg s THR 133 CO 0.14 0.10 -0.32 -0.11 -0.54 0.00 0.00 174.62 173.90 3bwg n LEU 134 N 2.56 2.14 -3.71 4.79 7.94 0.82 -4.65 117.00 126.89 3bwg n LEU 134 Ca 0.07 0.26 -0.06 0.00 -1.11 0.00 0.00 56.01 55.17 3bwg n LEU 134 Cb 0.41 -0.84 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 3bwg n LEU 134 CO 0.60 0.64 0.62 0.00 -1.11 0.00 0.00 177.39 178.14 3bwg s TYR 136 N -3.46 1.91 0.03 0.00 5.04 -0.42 -0.95 117.35 119.50 3bwg s TYR 136 Ca 0.10 -0.84 0.04 0.00 -2.44 0.00 0.00 57.07 53.93 3bwg s TYR 136 Cb -0.02 -1.37 -0.02 0.00 0.35 0.00 0.00 41.96 40.90 3bwg s TYR 136 CO 0.00 -0.42 -0.12 -2.00 -1.34 0.00 0.00 175.55 171.68 3bwg s GLU 137 N 0.82 0.83 -0.08 4.97 2.12 0.13 -1.27 118.70 126.22 3bwg s GLU 137 Ca -0.10 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.59 3bwg s GLU 137 Cb -0.16 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.44 3bwg s GLU 137 CO 0.01 0.20 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.53 3bwg s GLU 138 N -1.01 2.45 0.12 4.30 2.02 -0.21 -1.66 118.70 124.72 3bwg s GLU 138 Ca 0.00 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.35 3bwg s GLU 138 Cb -0.07 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 3bwg s GLU 138 CO 0.01 0.12 -0.10 -1.54 0.02 0.00 0.00 175.26 173.77 3bwg s SER 139 N 0.46 1.62 -0.06 -0.19 1.04 0.05 0.27 113.70 116.90 3bwg s SER 139 Ca -0.17 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3bwg s SER 139 Cb -0.17 0.00 0.02 0.00 0.10 0.00 0.00 66.02 65.98 3bwg s SER 139 CO 0.07 -0.31 -0.04 -0.31 0.98 0.00 0.00 173.24 173.63 3bwg s TYR 140 N -3.02 0.81 -0.10 5.02 2.02 0.11 -0.87 117.35 121.33 3bwg s TYR 140 Ca 0.12 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.61 3bwg s TYR 140 Cb 0.01 -0.77 -0.00 0.00 -0.40 0.00 0.00 41.96 40.80 3bwg s TYR 140 CO -0.00 -0.27 -0.23 0.71 -1.57 0.00 0.00 175.55 174.19 3bwg s TYR 141 N 1.31 2.58 -0.09 2.71 2.02 -0.26 -1.58 117.35 124.03 3bwg s TYR 141 Ca -0.05 -1.01 -0.29 0.00 -0.37 0.00 0.00 57.07 55.35 3bwg s TYR 141 Cb -0.14 -1.72 -0.06 0.00 -0.40 0.00 0.00 41.96 39.64 3bwg s TYR 141 CO -0.02 -0.40 1.95 0.99 -1.57 0.00 0.00 175.55 176.50 3bwg s THR 142 N 0.33 3.19 0.36 -0.71 2.01 -0.93 -0.52 115.64 119.37 3bwg s THR 142 Ca -0.18 0.22 0.10 0.00 0.31 0.00 0.00 61.69 62.14 3bwg s THR 142 Cb -0.18 -3.18 0.11 0.00 0.01 0.00 0.00 72.50 69.26 3bwg s THR 142 CO 0.09 -0.06 1.84 0.50 -0.69 0.00 0.00 174.62 176.29 3bwg h LYS 143 N 11.87 0.13 0.00 4.92 3.64 -1.58 0.41 116.57 135.95 3bwg h LYS 143 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3bwg h LYS 143 Cb 1.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3bwg h LYS 143 CO 0.96 0.42 0.00 -1.13 -2.27 0.00 0.00 179.45 177.43 3bwg n SER 144 N -4.15 0.75 -0.08 4.20 3.41 -1.26 -3.21 113.62 113.28 3bwg n SER 144 Ca -0.01 0.63 -0.08 0.00 -0.26 0.00 0.00 58.87 59.15 3bwg n SER 144 Cb 0.37 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3bwg n SER 144 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3bwg n ILE 145 N -2.27 1.45 -3.17 -1.33 5.41 -0.87 -4.78 119.36 113.81 3bwg n ILE 145 Ca 0.04 0.16 -0.46 0.00 1.00 0.00 0.00 62.75 63.48 3bwg n ILE 145 Cb 0.32 -2.33 -0.03 0.00 -0.71 0.00 0.00 39.64 36.89 3bwg n ILE 145 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bwg s VAL 146 N -2.44 5.19 -0.08 1.39 1.01 0.08 -4.90 120.40 120.65 3bwg s VAL 146 Ca -0.21 -1.90 0.13 0.00 0.00 0.00 0.00 61.98 60.00 3bwg s VAL 146 Cb 0.03 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 3bwg s VAL 146 CO 0.31 -1.18 1.40 0.71 0.00 0.00 0.00 175.10 176.35 3bwg h THR 147 N 5.35 1.09 -3.18 3.92 1.35 -1.83 -3.39 112.91 116.22 3bwg h THR 147 Ca 0.03 -2.53 -0.17 0.00 -0.55 0.00 0.00 66.41 63.19 3bwg h THR 147 Cb 1.05 2.53 -0.26 0.00 -1.73 0.00 0.00 68.15 69.74 3bwg h THR 147 CO 0.93 0.62 -0.45 -0.47 -0.25 0.00 0.00 175.52 175.90 3bwg s TYR 148 N -2.90 -0.25 0.05 4.73 5.04 -1.26 -4.96 117.35 117.79 3bwg s TYR 148 Ca 0.03 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 3bwg s TYR 148 Cb 0.08 0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 3bwg s TYR 148 CO 0.76 -0.12 -0.10 -0.51 -1.34 0.00 0.00 175.55 174.24 3bwg s LEU 149 N 0.15 2.24 0.30 6.97 1.43 -1.26 -5.11 118.68 123.40 3bwg s LEU 149 Ca -0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3bwg s LEU 149 Cb -0.02 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 3bwg s LEU 149 CO 0.00 -0.14 0.17 0.54 0.23 0.00 0.00 176.35 177.15 3bwg s ASN 150 N -1.51 1.50 0.25 2.29 2.20 -1.26 -5.05 114.94 113.37 3bwg s ASN 150 Ca -0.06 -1.57 -0.02 0.00 -0.94 0.00 0.00 52.86 50.26 3bwg s ASN 150 Cb -0.09 0.40 0.49 0.00 -2.00 0.00 0.00 41.25 40.05 3bwg s ASN 150 CO 0.01 -0.90 1.75 -1.13 -2.94 0.00 0.00 177.10 173.89 3bwg h ASN 151 N 2.22 0.43 -0.16 3.54 -0.73 -1.98 -2.63 115.58 116.27 3bwg h ASN 151 Ca -0.33 0.10 -0.00 0.00 1.87 0.00 0.00 56.30 57.94 3bwg h ASN 151 Cb 1.25 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.87 3bwg h ASN 151 CO 0.51 0.18 0.10 -0.08 -0.37 0.00 0.00 177.43 177.77 3bwg h GLU 152 N 0.55 0.22 -0.15 6.67 4.81 -1.98 -1.21 114.58 123.49 3bwg h GLU 152 Ca 0.44 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 3bwg h GLU 152 Cb 0.63 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3bwg h GLU 152 CO -0.37 0.19 0.01 0.82 -0.73 0.00 0.00 179.01 178.92 3bwg h ILE 153 N 0.19 0.91 0.00 2.32 2.04 -1.88 -2.93 117.51 118.16 3bwg h ILE 153 Ca 0.06 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3bwg h ILE 153 Cb 0.02 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3bwg h ILE 153 CO -0.01 0.01 0.00 0.58 0.00 0.00 0.00 178.15 178.73 3bwg h VAL 154 N 0.06 0.00 -0.01 1.67 2.07 -1.35 -1.20 116.25 117.51 3bwg h VAL 154 Ca 0.07 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3bwg h VAL 154 Cb 0.07 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3bwg h VAL 154 CO -0.11 0.00 -0.13 -1.54 0.02 0.00 0.00 177.57 175.82 3bwg n SER 155 N -2.79 0.82 0.00 0.57 3.41 -0.47 -4.89 113.62 110.26 3bwg n SER 155 Ca 0.02 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 3bwg n SER 155 Cb 0.34 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3bwg n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bwg n HIS 156 N -0.64 0.00 -3.24 7.33 8.25 -0.45 -3.93 115.22 122.55 3bwg n HIS 156 Ca 0.15 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.18 3bwg n HIS 156 Cb 0.30 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 3bwg n HIS 156 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3bwg s SER 157 N 0.68 6.21 0.18 0.41 0.15 -1.24 -4.95 113.70 115.15 3bwg s SER 157 Ca 0.00 -0.87 -0.11 0.00 0.70 0.00 0.00 55.95 55.67 3bwg s SER 157 Cb 0.00 -2.26 0.09 0.00 -1.71 0.00 0.00 66.02 62.14 3bwg s SER 157 CO 0.00 -0.76 1.74 0.40 1.20 0.00 0.00 173.24 175.82 3bwg h ILE 158 N 5.81 1.24 -0.35 6.45 2.04 -1.92 -2.75 117.51 128.03 3bwg h ILE 158 Ca -0.27 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3bwg h ILE 158 Cb 1.10 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3bwg h ILE 158 CO 0.90 0.29 0.03 -0.26 0.00 0.00 0.00 178.15 179.11 3bwg h PHE 159 N 0.90 0.54 -0.41 1.37 -1.00 -1.94 -1.62 116.94 114.78 3bwg h PHE 159 Ca 0.21 -0.05 0.06 0.00 2.81 0.00 0.00 57.97 61.01 3bwg h PHE 159 Cb 0.21 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 39.56 3bwg h PHE 159 CO 0.01 0.51 0.12 1.25 -1.61 0.00 0.00 178.31 178.59 3bwg h HIS 160 N 0.51 0.20 -0.60 -0.55 2.76 -1.91 -1.54 115.15 114.02 3bwg h HIS 160 Ca 0.11 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3bwg h HIS 160 Cb 0.28 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 3bwg h HIS 160 CO 0.01 0.06 0.03 -0.92 -1.30 0.00 0.00 177.93 175.80 3bwg h TYR 161 N 0.26 1.10 -0.44 5.26 3.20 -1.19 -0.03 116.97 125.12 3bwg h TYR 161 Ca 0.20 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3bwg h TYR 161 Cb 0.21 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3bwg h TYR 161 CO -0.18 0.96 0.28 0.82 -1.64 0.00 0.00 178.16 178.41 3bwg h ILE 162 N 0.94 1.12 0.19 1.81 2.04 -1.10 0.81 117.51 123.33 3bwg h ILE 162 Ca 0.17 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3bwg h ILE 162 Cb 0.51 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3bwg h ILE 162 CO 0.02 0.12 -0.09 0.03 0.00 0.00 0.00 178.15 178.23 3bwg h ARG 163 N 0.59 -0.25 0.04 2.37 3.08 -1.19 -1.72 114.38 117.30 3bwg h ARG 163 Ca 0.16 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 3bwg h ARG 163 Cb -0.04 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.08 3bwg h ARG 163 CO -0.03 0.06 -0.65 1.49 -1.07 0.00 0.00 179.97 179.77 3bwg h GLU 164 N -0.98 0.37 0.08 0.04 4.57 -0.97 -2.27 114.58 115.41 3bwg h GLU 164 Ca -0.03 -0.45 -0.33 0.00 -1.18 0.00 0.00 59.36 57.37 3bwg h GLU 164 Cb 0.42 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 3bwg h GLU 164 CO 0.04 1.14 -1.82 0.41 -1.18 0.00 0.00 179.01 177.60 3bwg n GLY 165 N 1.24 -0.63 0.09 1.92 0.00 0.26 -4.19 105.19 103.88 3bwg n GLY 165 Ca -0.11 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3bwg n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bwg h LEU 166 N -0.30 0.00 1.19 0.99 3.38 -1.03 -3.49 115.31 116.06 3bwg h LEU 166 Ca -0.42 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.20 3bwg h LEU 166 Cb 1.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 3bwg h LEU 166 CO -0.03 0.07 -0.24 0.61 0.09 0.00 0.00 178.44 178.94 3bwg n GLY 167 N 1.29 0.29 3.88 0.83 0.00 -0.86 -5.00 105.19 105.62 3bwg n GLY 167 Ca 0.03 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3bwg n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwg s LEU 168 N -2.78 4.00 -0.33 0.99 1.43 -0.68 -4.99 118.68 116.33 3bwg s LEU 168 Ca 0.00 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.06 3bwg s LEU 168 Cb 0.00 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.41 3bwg s LEU 168 CO 0.00 -0.25 0.09 -0.54 0.23 0.00 0.00 176.35 175.88 3bwg s LYS 169 N -3.39 2.66 -0.11 1.70 -0.14 -1.26 -4.22 119.74 114.97 3bwg s LYS 169 Ca 0.49 -1.15 -0.27 0.00 -1.36 0.00 0.00 55.97 53.68 3bwg s LYS 169 Cb -0.11 -3.41 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 3bwg s LYS 169 CO 0.26 -0.63 0.90 0.42 -0.76 0.00 0.00 175.35 175.54 3bwg s ILE 170 N 1.40 4.86 0.00 2.17 1.01 -1.26 -1.38 121.20 128.00 3bwg s ILE 170 Ca -0.02 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.45 3bwg s ILE 170 Cb -0.19 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3bwg s ILE 170 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3bwg n GLY 171 N 3.21 2.31 3.82 6.18 0.00 0.12 -4.68 105.19 116.15 3bwg n GLY 171 Ca 0.06 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3bwg n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bwg s PHE 172 N 4.11 3.08 0.02 1.61 -0.12 -1.25 -4.61 117.98 120.83 3bwg s PHE 172 Ca 0.00 1.40 -0.00 0.00 -0.05 0.00 0.00 56.93 58.28 3bwg s PHE 172 Cb 0.00 -2.90 -0.02 0.00 -0.63 0.00 0.00 43.02 39.46 3bwg s PHE 172 CO 0.00 -1.29 -0.03 -1.54 -0.05 0.00 0.00 175.22 172.31 3bwg s SER 173 N -3.80 0.26 -0.15 1.98 1.04 -1.26 -0.77 113.70 111.01 3bwg s SER 173 Ca 0.58 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 3bwg s SER 173 Cb -0.14 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 3bwg s SER 173 CO 0.55 -0.32 -0.07 -1.81 0.98 0.00 0.00 173.24 172.57 3bwg s ASP 174 N -1.57 4.53 -0.10 7.02 1.01 -0.33 -4.96 116.67 122.27 3bwg s ASP 174 Ca -0.14 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 52.94 3bwg s ASP 174 Cb -0.09 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 3bwg s ASP 174 CO -0.02 0.16 -0.17 -0.76 0.21 0.00 0.00 175.17 174.60 3bwg s LEU 175 N 0.38 2.50 -0.22 1.23 1.02 -1.26 -0.82 118.68 121.51 3bwg s LEU 175 Ca -0.06 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 53.69 3bwg s LEU 175 Cb -0.15 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.54 3bwg s LEU 175 CO 0.04 0.21 -0.08 -0.36 0.02 0.00 0.00 176.35 176.18 3bwg s PHE 176 N 0.06 2.94 -0.12 0.29 0.08 0.37 -5.00 117.98 116.60 3bwg s PHE 176 Ca -0.07 -1.19 -0.01 0.00 0.12 0.00 0.00 56.93 55.78 3bwg s PHE 176 Cb -0.15 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 3bwg s PHE 176 CO 0.05 -0.63 -0.07 -0.51 -0.10 0.00 0.00 175.22 173.95 3bwg s LEU 177 N 1.42 3.06 0.02 -0.37 1.02 -1.26 -0.77 118.68 121.79 3bwg s LEU 177 Ca 0.05 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.06 3bwg s LEU 177 Cb -0.14 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 3bwg s LEU 177 CO -0.05 0.22 -0.08 -1.00 0.02 0.00 0.00 176.35 175.45 3bwg s HIS 178 N 0.06 0.73 -0.13 0.29 3.76 -0.13 -5.01 115.29 114.86 3bwg s HIS 178 Ca -0.02 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3bwg s HIS 178 Cb -0.14 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 3bwg s HIS 178 CO 0.03 -0.02 -0.08 0.08 -0.85 0.00 0.00 174.74 173.90 3bwg s VAL 179 N -0.64 3.54 0.13 -0.90 1.01 -1.26 -0.79 120.40 121.50 3bwg s VAL 179 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3bwg s VAL 179 Cb -0.06 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3bwg s VAL 179 CO 0.00 0.52 0.19 0.61 0.00 0.00 0.00 175.10 176.43 3bwg n GLY 180 N 3.27 2.69 3.75 4.51 0.00 -0.73 -5.00 105.19 113.67 3bwg n GLY 180 Ca -0.18 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 3bwg n GLY 180 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bwg s GLN 181 N -2.28 3.33 0.36 1.61 -0.21 -1.26 -0.89 119.66 120.32 3bwg s GLN 181 Ca 0.11 -0.29 -0.28 0.00 0.02 0.00 0.00 55.36 54.91 3bwg s GLN 181 Cb -0.00 -3.02 -0.11 0.00 1.00 0.00 0.00 33.01 30.88 3bwg s GLN 181 CO 0.08 0.66 1.46 -0.51 -2.12 0.00 0.00 175.29 174.86 3bwg s LEU 182 N -0.73 4.34 0.65 2.90 1.43 0.23 -4.76 118.68 122.73 3bwg s LEU 182 Ca 0.12 2.97 0.05 0.00 -1.03 0.00 0.00 54.13 56.24 3bwg s LEU 182 Cb -0.12 -3.66 0.11 0.00 0.03 0.00 0.00 46.19 42.55 3bwg s LEU 182 CO 0.03 -0.81 0.89 0.54 0.23 0.00 0.00 176.35 177.23 3bwg s ASN 183 N -0.15 4.73 0.15 2.29 2.20 -1.26 0.53 114.94 123.43 3bwg s ASN 183 Ca 0.53 -0.66 -0.16 0.00 -0.94 0.00 0.00 52.86 51.63 3bwg s ASN 183 Cb -0.45 0.21 0.01 0.00 -2.00 0.00 0.00 41.25 39.01 3bwg s ASN 183 CO 0.60 -1.60 1.77 -0.33 -2.94 0.00 0.00 177.10 174.60 3bwg h GLU 184 N -0.15 0.55 -0.11 3.55 4.39 -1.96 0.23 114.58 121.07 3bwg h GLU 184 Ca -0.32 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 3bwg h GLU 184 Cb 1.28 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3bwg h GLU 184 CO 0.40 0.42 0.01 1.49 -1.16 0.00 0.00 179.01 180.17 3bwg h GLU 185 N 0.53 0.19 -0.36 2.33 4.81 -1.99 -0.85 114.58 119.24 3bwg h GLU 185 Ca 0.14 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3bwg h GLU 185 Cb 0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3bwg h GLU 185 CO -0.03 0.40 0.23 0.93 -0.73 0.00 0.00 179.01 179.81 3bwg h GLU 186 N -0.05 0.45 -0.91 1.92 5.08 -1.89 -2.09 114.58 117.09 3bwg h GLU 186 Ca 0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3bwg h GLU 186 Cb 0.31 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3bwg h GLU 186 CO 0.00 0.30 0.58 0.00 -1.00 0.00 0.00 179.01 178.89 3bwg h ALA 187 N 1.14 1.23 -0.16 3.43 0.00 -0.44 -0.24 119.26 124.22 3bwg h ALA 187 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3bwg h ALA 187 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3bwg h ALA 187 CO -0.04 0.38 -0.03 1.49 0.00 0.00 0.00 179.25 181.05 3bwg h GLU 188 N 1.08 0.30 -0.94 0.00 4.81 -1.01 0.18 114.58 119.00 3bwg h GLU 188 Ca 0.38 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.56 3bwg h GLU 188 Cb 0.10 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3bwg h GLU 188 CO -0.15 0.56 0.60 1.88 -0.73 0.00 0.00 179.01 181.17 3bwg h TYR 189 N 0.01 1.11 0.00 0.92 0.05 -1.11 -2.65 116.97 115.30 3bwg h TYR 189 Ca 0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3bwg h TYR 189 Cb 0.45 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3bwg h TYR 189 CO 0.05 0.58 -0.10 1.28 -1.05 0.00 0.00 178.16 178.92 3bwg n LEU 190 N -4.55 0.40 -1.53 3.88 4.77 -0.12 -4.94 117.00 114.90 3bwg n LEU 190 Ca 0.14 0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3bwg n LEU 190 Cb 0.17 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3bwg n LEU 190 CO 0.32 -0.06 -0.16 0.61 -1.33 0.00 0.00 177.39 176.77 3bwg n GLY 191 N 1.42 -0.17 3.12 -0.72 0.00 0.39 -4.72 105.19 104.51 3bwg n GLY 191 Ca 0.06 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3bwg n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bwg n LEU 192 N -1.94 0.00 -4.87 0.99 4.77 0.22 -5.02 117.00 111.15 3bwg n LEU 192 Ca -0.15 -2.61 -0.34 0.00 -0.03 0.00 0.00 56.01 52.88 3bwg n LEU 192 Cb 0.62 0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.85 3bwg n LEU 192 CO 0.19 -0.43 0.09 -1.61 -1.33 0.00 0.00 177.39 174.30 3bwg s GLU 193 N -3.66 3.77 0.49 3.23 2.02 -1.26 -4.31 118.70 118.98 3bwg s GLU 193 Ca 0.08 0.19 -0.23 0.00 0.02 0.00 0.00 54.97 55.03 3bwg s GLU 193 Cb -0.01 -2.97 -0.06 0.00 0.10 0.00 0.00 34.13 31.19 3bwg s GLU 193 CO 0.05 0.54 1.36 0.00 0.02 0.00 0.00 175.26 177.23 3bwg s ALA 194 N -1.44 3.01 0.00 5.21 0.00 -1.26 -2.73 121.76 124.54 3bwg s ALA 194 Ca 0.35 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3bwg s ALA 194 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3bwg s ALA 194 CO 0.19 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.16 3bwg n GLY 195 N 0.65 3.31 3.74 0.00 0.00 0.19 -4.93 105.19 108.16 3bwg n GLY 195 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3bwg n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwg s LEU 196 N 0.00 2.94 0.51 0.99 1.43 -1.11 -4.47 118.68 118.98 3bwg s LEU 196 Ca 0.00 1.89 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 3bwg s LEU 196 Cb 0.00 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 3bwg s LEU 196 CO 0.00 -2.32 1.15 -2.84 0.23 0.00 0.00 176.35 172.57 3bwg s PRO 197 N -4.85 3.48 -0.00 1.29 0.02 -1.26 0.74 135.00 134.42 3bwg s PRO 197 Ca 0.63 1.70 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 3bwg s PRO 197 Cb -0.18 -2.16 -0.00 0.00 0.02 0.00 0.00 34.50 32.18 3bwg s PRO 197 CO 0.57 -0.76 0.11 -1.59 -0.33 0.00 0.00 177.00 174.99 3bwg s LYS 198 N -3.06 0.41 -0.15 5.54 -2.85 -0.06 -4.36 119.74 115.20 3bwg s LYS 198 Ca 0.70 -0.36 -0.19 0.00 -1.00 0.00 0.00 55.97 55.12 3bwg s LYS 198 Cb -0.26 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.64 3bwg s LYS 198 CO 0.31 -0.09 0.52 -1.17 0.10 0.00 0.00 175.35 175.02 3bwg s LEU 199 N -1.20 4.22 -0.21 2.77 2.96 -1.26 -1.78 118.68 124.17 3bwg s LEU 199 Ca -0.13 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 3bwg s LEU 199 Cb -0.07 -2.74 0.04 0.00 0.50 0.00 0.00 46.19 43.92 3bwg s LEU 199 CO 0.01 -0.10 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.33 3bwg s TYR 200 N 1.14 2.86 -0.09 5.38 5.04 0.03 -1.35 117.35 130.35 3bwg s TYR 200 Ca 0.26 -1.88 0.04 0.00 -2.44 0.00 0.00 57.07 53.05 3bwg s TYR 200 Cb -0.15 -1.84 -0.00 0.00 0.35 0.00 0.00 41.96 40.31 3bwg s TYR 200 CO 0.10 -0.82 -0.23 0.42 -1.34 0.00 0.00 175.55 173.69 3bwg s ILE 201 N 1.25 2.16 -0.21 3.14 1.01 0.23 -0.96 121.20 127.83 3bwg s ILE 201 Ca -0.02 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 3bwg s ILE 201 Cb -0.17 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3bwg s ILE 201 CO -0.09 0.56 0.09 -1.61 0.00 0.00 0.00 174.94 173.90 3bwg s GLU 202 N 0.24 3.96 -0.03 2.79 2.02 0.05 -0.76 118.70 126.97 3bwg s GLU 202 Ca -0.15 -0.34 0.07 0.00 0.02 0.00 0.00 54.97 54.57 3bwg s GLU 202 Cb -0.17 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3bwg s GLU 202 CO 0.08 0.13 -0.23 -1.12 0.02 0.00 0.00 175.26 174.14 3bwg s SER 203 N 0.78 3.34 -0.21 -0.19 0.01 -0.60 -0.48 113.70 116.35 3bwg s SER 203 Ca 0.05 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 56.93 3bwg s SER 203 Cb -0.13 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.64 3bwg s SER 203 CO 0.02 0.33 -0.17 -0.63 0.41 0.00 0.00 173.24 173.20 3bwg s ILE 204 N -0.65 2.09 -0.13 1.44 1.09 -0.00 -1.96 121.20 123.07 3bwg s ILE 204 Ca 0.11 -1.17 -0.08 0.00 -1.10 0.00 0.00 60.65 58.41 3bwg s ILE 204 Cb -0.10 -2.00 -0.04 0.00 -1.06 0.00 0.00 42.46 39.26 3bwg s ILE 204 CO -0.00 0.35 0.14 -0.36 -0.10 0.00 0.00 174.94 174.97 3bwg s PHE 205 N 1.23 3.57 0.14 3.97 0.08 -0.52 -1.19 117.98 125.26 3bwg s PHE 205 Ca 0.00 0.50 0.10 0.00 0.12 0.00 0.00 56.93 57.66 3bwg s PHE 205 Cb -0.15 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 3bwg s PHE 205 CO -0.10 0.66 -0.23 -1.01 -0.10 0.00 0.00 175.22 174.44 3bwg s HIS 206 N -0.78 2.39 0.93 0.36 3.76 0.05 -1.28 115.29 120.71 3bwg s HIS 206 Ca 0.14 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 3bwg s HIS 206 Cb -0.12 -1.25 0.15 0.00 1.11 0.00 0.00 32.58 32.47 3bwg s HIS 206 CO 0.03 0.40 1.10 -0.51 -0.85 0.00 0.00 174.74 174.90 3bwg s LEU 207 N -2.26 2.00 0.60 0.89 1.43 0.83 0.10 118.68 122.28 3bwg s LEU 207 Ca 0.17 1.30 0.34 0.00 -1.03 0.00 0.00 54.13 54.91 3bwg s LEU 207 Cb -0.10 -3.63 1.92 0.00 0.03 0.00 0.00 46.19 44.41 3bwg s LEU 207 CO 0.08 -2.76 2.24 0.71 0.23 0.00 0.00 176.35 176.86 3bwg h THR 208 N -1.64 0.34 -0.02 5.49 1.35 -1.50 -0.08 112.91 116.86 3bwg h THR 208 Ca -0.51 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3bwg h THR 208 Cb 1.31 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3bwg h THR 208 CO 0.57 0.02 0.00 -0.46 -0.25 0.00 0.00 175.52 175.40 3bwg n ASN 209 N -3.53 0.18 0.00 5.36 0.23 -1.26 -4.90 115.26 111.34 3bwg n ASN 209 Ca -0.03 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 3bwg n ASN 209 Cb 0.12 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3bwg n ASN 209 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bwg n GLY 210 N 0.85 1.04 3.67 4.83 0.00 -0.04 -5.04 105.19 110.49 3bwg n GLY 210 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3bwg n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bwg s GLN 211 N -0.62 4.25 0.57 1.61 0.74 -1.26 -4.74 119.66 120.21 3bwg s GLN 211 Ca 0.00 1.86 -0.20 0.00 0.05 0.00 0.00 55.36 57.07 3bwg s GLN 211 Cb 0.00 -3.74 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 3bwg s GLN 211 CO 0.00 -0.67 1.29 -2.14 -0.55 0.00 0.00 175.29 173.21 3bwg s PRO 212 N 3.19 3.02 0.00 1.67 0.02 -1.26 -0.12 135.00 141.52 3bwg s PRO 212 Ca 0.61 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3bwg s PRO 212 Cb -0.27 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3bwg s PRO 212 CO 0.22 -1.23 0.00 1.97 -0.33 0.00 0.00 177.00 177.63 3bwg n PHE 213 N -1.32 0.00 -3.68 6.54 1.16 -0.40 -4.80 117.46 114.96 3bwg n PHE 213 Ca 0.12 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.57 3bwg n PHE 213 Cb 0.47 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.21 3bwg n PHE 213 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3bwg s ASP 214 N -0.97 0.19 -0.14 5.98 2.15 -1.21 -2.19 116.67 120.48 3bwg s ASP 214 Ca 0.00 0.60 0.01 0.00 0.43 0.00 0.00 52.55 53.59 3bwg s ASP 214 Cb 0.00 0.67 -0.00 0.00 -0.30 0.00 0.00 42.92 43.29 3bwg s ASP 214 CO 0.00 -0.22 -0.17 -0.47 -0.17 0.00 0.00 175.17 174.14 3bwg s TYR 215 N 2.18 2.75 0.10 -5.34 5.04 -0.61 -1.43 117.35 120.04 3bwg s TYR 215 Ca -0.01 -1.03 0.06 0.00 -2.44 0.00 0.00 57.07 53.65 3bwg s TYR 215 Cb -0.12 -1.86 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 3bwg s TYR 215 CO -0.09 -0.45 -0.15 -1.54 -1.34 0.00 0.00 175.55 171.98 3bwg s SER 216 N 0.71 1.99 -0.15 4.32 1.04 -0.83 0.06 113.70 120.84 3bwg s SER 216 Ca -0.08 -0.72 -0.00 0.00 0.48 0.00 0.00 55.95 55.63 3bwg s SER 216 Cb -0.16 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.92 3bwg s SER 216 CO 0.01 -0.08 -0.08 -0.54 0.98 0.00 0.00 173.24 173.53 3bwg s LYS 217 N -2.22 1.68 -0.04 4.02 1.02 0.14 -1.56 119.74 122.78 3bwg s LYS 217 Ca 0.05 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.56 3bwg s LYS 217 Cb -0.08 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3bwg s LYS 217 CO 0.03 -0.36 -0.09 0.42 -0.92 0.00 0.00 175.35 174.43 3bwg s ILE 218 N 1.60 0.82 -0.18 2.17 1.01 0.06 -1.04 121.20 125.64 3bwg s ILE 218 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3bwg s ILE 218 Cb -0.14 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 3bwg s ILE 218 CO -0.08 0.27 -0.08 -0.44 0.00 0.00 0.00 174.94 174.60 3bwg s SER 219 N 0.41 4.18 0.19 3.58 0.01 -0.40 -0.60 113.70 121.07 3bwg s SER 219 Ca -0.07 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 3bwg s SER 219 Cb -0.11 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 3bwg s SER 219 CO 0.01 0.07 0.42 -0.31 0.41 0.00 0.00 173.24 173.84 3bwg s TYR 220 N 0.94 3.47 -0.40 2.43 2.02 -0.46 -1.30 117.35 124.06 3bwg s TYR 220 Ca -0.01 0.56 -0.29 0.00 -0.37 0.00 0.00 57.07 56.96 3bwg s TYR 220 Cb -0.15 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 3bwg s TYR 220 CO 0.00 0.37 1.55 1.21 -1.57 0.00 0.00 175.55 177.11 3bwg s ASN 221 N -2.69 6.15 0.65 2.29 3.84 -0.09 -4.16 114.94 120.93 3bwg s ASN 221 Ca 0.42 0.95 0.39 0.00 0.21 0.00 0.00 52.86 54.82 3bwg s ASN 221 Cb -0.12 -2.54 2.13 0.00 -0.55 0.00 0.00 41.25 40.18 3bwg s ASN 221 CO 0.26 -1.56 2.24 0.10 -2.79 0.00 0.00 177.10 175.35 3bwg h TYR 222 N 11.54 0.00 -0.00 0.43 -0.00 -1.88 -1.26 116.97 125.79 3bwg h TYR 222 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.43 3bwg h TYR 222 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.86 3bwg h TYR 222 CO 0.97 0.00 -0.39 0.39 -0.00 0.00 0.00 178.16 179.13 3bwg n GLU 223 N -3.19 0.21 -0.05 0.10 1.02 -1.26 -4.27 120.64 113.19 3bwg n GLU 223 Ca -0.02 -0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.02 3bwg n GLU 223 Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.10 3bwg n GLU 223 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3bwg n GLN 224 N -1.30 1.59 -3.71 3.49 1.13 -0.49 -5.07 117.38 113.03 3bwg n GLN 224 Ca 0.07 -1.26 -0.14 0.00 -1.94 0.00 0.00 57.00 53.73 3bwg n GLN 224 Cb 0.33 -0.86 -0.09 0.00 0.11 0.00 0.00 30.24 29.74 3bwg n GLN 224 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3bwg s SER 225 N -0.90 -0.35 -0.05 1.08 1.04 -1.11 -4.94 113.70 108.47 3bwg s SER 225 Ca 0.04 0.45 -0.30 0.00 0.48 0.00 0.00 55.95 56.62 3bwg s SER 225 Cb 0.03 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.78 3bwg s SER 225 CO 0.00 -0.38 0.78 0.00 0.98 0.00 0.00 173.24 174.63 3bwg s GLN 226 N -0.80 0.92 0.05 4.02 0.00 -1.26 -4.83 119.66 117.76 3bwg s GLN 226 Ca -0.09 0.09 0.06 0.00 -0.00 0.00 0.00 55.36 55.42 3bwg s GLN 226 Cb -0.04 0.43 -0.03 0.00 0.00 0.00 0.00 33.01 33.38 3bwg s GLN 226 CO 0.04 -0.32 -0.18 -0.06 0.00 0.00 0.00 175.29 174.78 3bwg s PHE 227 N -1.64 1.54 0.13 9.60 0.08 -1.26 -1.09 117.98 125.34 3bwg s PHE 227 Ca -0.05 -0.38 0.11 0.00 0.12 0.00 0.00 56.93 56.73 3bwg s PHE 227 Cb -0.00 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 3bwg s PHE 227 CO 0.03 0.08 -0.26 0.54 -0.10 0.00 0.00 175.22 175.52 3bwg s VAL 228 N -0.90 2.33 -0.05 -0.44 0.11 -0.07 -4.85 120.40 116.52 3bwg s VAL 228 Ca 0.04 -1.72 -0.03 0.00 -2.93 0.00 0.00 61.98 57.34 3bwg s VAL 228 Cb -0.09 -2.03 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 3bwg s VAL 228 CO 0.02 0.10 0.13 0.54 -3.33 0.00 0.00 175.10 172.56 3bwg s VAL 229 N -1.06 -0.02 -0.20 2.04 0.11 -1.26 -0.92 120.40 119.08 3bwg s VAL 229 Ca 0.14 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.20 3bwg s VAL 229 Cb -0.10 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3bwg s VAL 229 CO 0.06 0.04 0.09 -1.10 -3.33 0.00 0.00 175.10 170.86 3bwg s GLN 230 N 0.61 3.99 -0.07 1.54 -0.21 -1.26 -5.10 119.66 119.16 3bwg s GLN 230 Ca -0.04 -0.33 0.04 0.00 0.02 0.00 0.00 55.36 55.05 3bwg s GLN 230 Cb -0.06 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 3bwg s GLN 230 CO -0.03 0.20 -0.21 0.00 -2.12 0.00 0.00 175.29 173.13 3bwg s ALA 231 N 0.60 2.33 -0.16 6.09 0.00 -1.26 -5.13 121.76 124.24 3bwg s ALA 231 Ca 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3bwg s ALA 231 Cb -0.13 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3bwg s ALA 231 CO 0.01 0.41 0.54 0.09 0.00 0.00 0.00 175.76 176.81