#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwg h GLN 6 N 0.00 0.00 -0.24 -1.09 3.07 -2.00 -3.24 115.11 111.61 3bwg h GLN 6 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 3bwg h GLN 6 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3bwg h GLN 6 CO 0.00 0.00 -0.14 0.82 0.09 0.00 0.00 178.83 179.60 3bwg h ILE 7 N 0.00 1.30 -0.99 1.86 2.04 -1.99 -2.57 117.51 117.16 3bwg h ILE 7 Ca 0.00 -1.23 0.20 0.00 1.00 0.00 0.00 64.86 64.82 3bwg h ILE 7 Cb 0.89 1.59 -0.10 0.00 -0.74 0.00 0.00 36.82 38.46 3bwg h ILE 7 CO 0.00 0.38 0.61 0.00 0.00 0.00 0.00 178.15 179.15 3bwg h ALA 8 N 0.71 1.77 -0.14 1.87 0.00 -1.83 0.15 119.26 121.80 3bwg h ALA 8 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3bwg h ALA 8 Cb 0.65 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3bwg h ALA 8 CO 0.04 -0.14 -0.01 1.15 0.00 0.00 0.00 179.25 180.30 3bwg h THR 9 N 0.70 1.26 -0.11 0.00 2.02 -1.57 -0.01 112.91 115.19 3bwg h THR 9 Ca 0.57 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3bwg h THR 9 Cb 0.97 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3bwg h THR 9 CO -0.35 0.25 0.04 -0.33 0.37 0.00 0.00 175.52 175.51 3bwg h GLU 10 N -0.02 0.10 -0.32 6.66 5.08 -0.90 0.22 114.58 125.40 3bwg h GLU 10 Ca 0.04 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3bwg h GLU 10 Cb 0.38 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 3bwg h GLU 10 CO 0.01 0.07 -0.19 0.82 -1.00 0.00 0.00 179.01 178.71 3bwg h ILE 11 N 0.10 0.46 -0.90 3.13 2.04 -0.73 0.33 117.51 121.94 3bwg h ILE 11 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3bwg h ILE 11 Cb 0.02 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3bwg h ILE 11 CO -0.04 0.00 0.57 -0.08 0.00 0.00 0.00 178.15 178.60 3bwg h GLU 12 N -0.15 1.04 0.13 2.37 4.81 -0.75 0.21 114.58 122.24 3bwg h GLU 12 Ca 0.17 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3bwg h GLU 12 Cb 0.40 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3bwg h GLU 12 CO -0.41 0.69 -0.06 1.15 -0.73 0.00 0.00 179.01 179.64 3bwg h THR 13 N 1.07 0.91 -0.82 0.32 2.02 0.14 -1.33 112.91 115.23 3bwg h THR 13 Ca 0.38 -0.13 0.18 0.00 0.77 0.00 0.00 66.41 67.61 3bwg h THR 13 Cb 0.10 0.99 -0.12 0.00 -1.74 0.00 0.00 68.15 67.39 3bwg h THR 13 CO -0.15 0.03 0.29 0.22 0.37 0.00 0.00 175.52 176.28 3bwg h TYR 14 N -0.23 0.47 -0.32 3.16 3.20 0.12 0.88 116.97 124.25 3bwg h TYR 14 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3bwg h TYR 14 Cb 0.18 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3bwg h TYR 14 CO -0.05 -0.05 0.20 0.82 -1.64 0.00 0.00 178.16 177.44 3bwg h ILE 15 N 0.35 1.10 -0.41 1.81 2.04 -0.27 -1.65 117.51 120.48 3bwg h ILE 15 Ca 0.48 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 66.01 3bwg h ILE 15 Cb 0.86 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3bwg h ILE 15 CO -0.51 0.10 -0.22 -0.08 0.00 0.00 0.00 178.15 177.44 3bwg h GLU 16 N 0.42 0.83 -0.78 2.37 4.57 -0.07 -1.96 114.58 119.96 3bwg h GLU 16 Ca 0.12 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3bwg h GLU 16 Cb -0.01 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3bwg h GLU 16 CO -0.02 0.97 0.50 1.49 -1.18 0.00 0.00 179.01 180.76 3bwg h GLU 17 N 0.72 1.04 -0.50 1.92 4.57 0.93 -2.21 114.58 121.05 3bwg h GLU 17 Ca 0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3bwg h GLU 17 Cb 0.75 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3bwg h GLU 17 CO 0.06 0.71 0.00 0.72 -1.18 0.00 0.00 179.01 179.32 3bwg n HIS 18 N -4.40 0.65 -4.21 0.92 8.25 -0.64 -4.95 115.22 110.84 3bwg n HIS 18 Ca 0.08 -0.33 -0.32 0.00 -0.26 0.00 0.00 57.72 56.90 3bwg n HIS 18 Cb 0.05 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 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 1.45 -2.25 -2.03 -0.41 6.02 -0.83 -4.89 117.38 114.44 3bwg n GLN 19 Ca 0.21 0.27 -0.34 0.00 -0.01 0.00 0.00 57.00 57.13 3bwg n GLN 19 Cb 0.58 -4.44 0.02 0.00 1.02 0.00 0.00 30.24 27.43 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 -7.20 3.59 0.32 1.08 1.43 -0.78 -5.05 118.68 112.07 3bwg s LEU 20 Ca 0.31 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 55.61 3bwg s LEU 20 Cb -0.17 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 3bwg s LEU 20 CO 0.95 -1.42 0.13 -1.10 0.23 0.00 0.00 176.35 175.15 3bwg s GLN 21 N -3.63 2.44 0.16 1.70 -1.52 -1.26 -4.95 119.66 112.60 3bwg s GLN 21 Ca 0.71 -1.46 -0.33 0.00 -1.95 0.00 0.00 55.36 52.32 3bwg s GLN 21 Cb -0.23 -2.23 -0.16 0.00 -0.22 0.00 0.00 33.01 30.17 3bwg s GLN 21 CO 0.33 0.18 1.15 0.94 -0.25 0.00 0.00 175.29 177.64 3bwg n GLN 22 N -1.13 1.08 0.00 2.91 7.27 -1.26 -2.07 117.38 124.18 3bwg n GLN 22 Ca -0.04 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.42 3bwg n GLN 22 Cb 0.60 -1.87 0.00 0.00 2.41 0.00 0.00 30.24 31.38 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 2.01 2.89 3.78 1.69 0.00 0.16 -4.95 105.19 110.77 3bwg n GLY 23 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3bwg n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bwg s ASP 24 N -1.49 7.16 -0.05 1.61 1.47 -0.88 -4.70 116.67 119.79 3bwg s ASP 24 Ca 0.00 1.92 -0.24 0.00 1.18 0.00 0.00 52.55 55.41 3bwg s ASP 24 Cb 0.00 -2.58 -0.04 0.00 -0.34 0.00 0.00 42.92 39.96 3bwg s ASP 24 CO 0.00 -0.20 0.71 -0.75 0.68 0.00 0.00 175.17 175.61 3bwg s LYS 25 N -2.16 4.44 0.63 2.11 2.20 -1.26 -1.48 119.74 124.22 3bwg s LYS 25 Ca 0.52 0.92 -0.14 0.00 -0.36 0.00 0.00 55.97 56.91 3bwg s LYS 25 Cb -0.20 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 3bwg s LYS 25 CO 0.26 0.10 1.06 -0.51 -0.36 0.00 0.00 175.35 175.89 3bwg s LEU 26 N 0.67 3.38 0.68 5.43 1.02 0.13 -4.96 118.68 125.02 3bwg s LEU 26 Ca 0.38 1.76 -0.17 0.00 0.02 0.00 0.00 54.13 56.12 3bwg s LEU 26 Cb -0.18 -4.52 -0.03 0.00 0.02 0.00 0.00 46.19 41.48 3bwg s LEU 26 CO 0.19 -1.27 0.82 -2.65 0.02 0.00 0.00 176.35 173.46 3bwg n PRO 27 N -2.38 0.56 -1.51 1.29 -0.02 -1.26 -4.74 135.00 126.93 3bwg n PRO 27 Ca 0.08 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3bwg n PRO 27 Cb 0.53 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3bwg n PRO 27 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3bwg n VAL 28 N -2.20 3.46 -0.17 -1.45 3.14 -1.26 -4.69 118.33 115.16 3bwg n VAL 28 Ca 0.12 -0.45 -0.01 0.00 -2.96 0.00 0.00 64.34 61.04 3bwg n VAL 28 Cb 0.49 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 3bwg n VAL 28 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3bwg n LEU 29 N -1.26 -0.33 0.17 6.55 7.94 -1.26 -1.23 117.00 127.57 3bwg n LEU 29 Ca 0.14 0.78 0.02 0.00 -1.11 0.00 0.00 56.01 55.83 3bwg n LEU 29 Cb 0.48 -0.16 0.29 0.00 0.53 0.00 0.00 43.42 44.57 3bwg n LEU 29 CO 0.49 -0.69 0.64 -0.33 -1.11 0.00 0.00 177.39 176.38 3bwg h GLU 30 N 0.00 0.00 -0.42 1.96 3.07 -2.02 -2.92 114.58 114.25 3bwg h GLU 30 Ca 0.14 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 3bwg h GLU 30 Cb 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3bwg h GLU 30 CO -0.44 0.46 -0.16 1.15 -1.40 0.00 0.00 179.01 178.62 3bwg h THR 31 N 0.00 1.26 0.00 1.13 2.02 -1.50 -3.08 112.91 112.74 3bwg h THR 31 Ca -0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3bwg h THR 31 Cb 0.85 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3bwg h THR 31 CO 0.06 0.43 0.00 0.18 0.37 0.00 0.00 175.52 176.56 3bwg n LEU 32 N -4.14 1.92 0.00 2.58 4.77 -0.99 0.45 117.00 121.59 3bwg n LEU 32 Ca 0.01 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3bwg n LEU 32 Cb 0.40 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3bwg n LEU 32 CO 0.44 0.35 0.00 0.00 -1.33 0.00 0.00 177.39 176.85 3bwg n ALA 34 N 1.37 0.00 0.30 -1.18 0.00 -1.17 -1.94 120.51 117.90 3bwg n ALA 34 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3bwg n ALA 34 Cb 0.22 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.61 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 0.00 0.00 0.00 4.15 -0.27 -3.13 115.11 115.86 3bwg h GLN 35 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3bwg h GLN 35 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3bwg h GLN 35 CO 0.00 0.02 0.00 1.19 -1.93 0.00 0.00 178.83 178.11 3bwg n PHE 36 N -3.67 0.00 -3.17 3.99 3.72 -0.82 -5.05 117.46 112.46 3bwg n PHE 36 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 3bwg n PHE 36 Cb 0.11 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.72 3bwg n PHE 36 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3bwg n GLU 37 N -0.09 -4.38 -4.05 -1.08 2.13 -1.18 -5.05 120.64 106.94 3bwg n GLU 37 Ca 0.00 0.75 -0.10 0.00 0.66 0.00 0.00 57.16 58.47 3bwg n GLU 37 Cb 0.05 -5.39 -0.08 0.00 0.27 0.00 0.00 31.44 26.29 3bwg n GLU 37 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3bwg s VAL 38 N -3.32 0.08 1.18 6.31 0.11 -1.26 -5.01 120.40 118.48 3bwg s VAL 38 Ca 0.15 -1.65 -0.13 0.00 -2.93 0.00 0.00 61.98 57.42 3bwg s VAL 38 Cb -0.02 -1.94 0.28 0.00 -1.53 0.00 0.00 36.38 33.17 3bwg s VAL 38 CO 0.64 -0.38 0.95 -0.24 -3.33 0.00 0.00 175.10 172.74 3bwg n SER 39 N -0.15 -1.77 0.09 3.54 2.88 -1.26 -4.59 113.62 112.35 3bwg n SER 39 Ca -0.06 -0.16 -0.04 0.00 -1.33 0.00 0.00 58.87 57.28 3bwg n SER 39 Cb 0.63 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.83 3bwg n SER 39 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3bwg h LYS 40 N -2.66 -0.24 -0.25 -1.46 3.64 -1.99 -2.86 116.57 110.75 3bwg h LYS 40 Ca -0.61 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.86 3bwg h LYS 40 Cb 1.33 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 3bwg h LYS 40 CO 0.48 -0.16 0.37 1.03 -2.27 0.00 0.00 179.45 178.90 3bwg h SER 41 N -0.43 0.00 0.11 4.20 0.87 -1.99 0.61 113.55 116.91 3bwg h SER 41 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3bwg h SER 41 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3bwg h SER 41 CO 0.04 0.00 -0.05 0.74 -0.53 0.00 0.00 176.83 177.03 3bwg h THR 42 N 0.00 1.09 -0.14 2.23 2.02 -1.95 -2.97 112.91 113.19 3bwg h THR 42 Ca 0.12 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 3bwg h THR 42 Cb 0.86 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 3bwg h THR 42 CO -0.00 0.21 -0.24 -0.29 0.37 0.00 0.00 175.52 175.57 3bwg h ILE 43 N -0.58 1.23 -0.30 3.11 6.09 -0.68 -1.43 117.51 124.96 3bwg h ILE 43 Ca -0.02 -1.09 -0.14 0.00 -1.37 0.00 0.00 64.86 62.24 3bwg h ILE 43 Cb 0.46 1.40 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 3bwg h ILE 43 CO 0.03 0.33 -0.39 0.71 -3.07 0.00 0.00 178.15 175.76 3bwg h THR 44 N 0.22 1.29 -0.75 2.19 1.35 -1.34 -0.46 112.91 115.41 3bwg h THR 44 Ca 0.04 -1.56 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 3bwg h THR 44 Cb 0.56 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 3bwg h THR 44 CO 0.04 0.50 0.32 0.50 -0.25 0.00 0.00 175.52 176.63 3bwg h LYS 45 N 0.58 1.09 0.00 4.72 3.11 -1.32 0.24 116.57 124.99 3bwg h LYS 45 Ca 0.05 -0.18 -0.06 0.00 -2.81 0.00 0.00 60.65 57.66 3bwg h LYS 45 Cb 0.92 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 3bwg h LYS 45 CO 0.08 0.87 -0.28 1.03 -2.81 0.00 0.00 179.45 178.35 3bwg h SER 46 N 1.08 0.00 0.46 4.20 0.87 -0.77 -2.55 113.55 116.84 3bwg h SER 46 Ca 0.25 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.51 3bwg h SER 46 Cb 0.17 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3bwg h SER 46 CO -0.03 0.28 -1.42 -0.07 -0.53 0.00 0.00 176.83 175.06 3bwg h LEU 47 N 0.00 0.55 -0.93 2.23 4.07 -0.59 -3.08 115.31 117.56 3bwg h LEU 47 Ca -0.00 -0.63 0.09 0.00 0.08 0.00 0.00 57.88 57.41 3bwg h LEU 47 Cb 0.52 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 42.00 3bwg h LEU 47 CO 0.04 1.51 0.58 -0.33 -1.08 0.00 0.00 178.44 179.15 3bwg h GLU 48 N 0.10 0.96 0.19 1.13 5.08 -0.28 -1.35 114.58 120.41 3bwg h GLU 48 Ca -0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3bwg h GLU 48 Cb 2.05 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.08 3bwg h GLU 48 CO 0.21 0.64 -0.09 1.25 -1.00 0.00 0.00 179.01 180.02 3bwg h LEU 49 N 0.99 -0.22 -1.68 1.33 5.85 -1.56 -2.09 115.31 117.93 3bwg h LEU 49 Ca 0.43 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3bwg h LEU 49 Cb 0.31 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3bwg h LEU 49 CO -0.22 0.08 0.29 -0.07 -0.34 0.00 0.00 178.44 178.18 3bwg h LEU 50 N -0.54 0.35 0.04 2.25 3.38 -1.38 0.14 115.31 119.56 3bwg h LEU 50 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3bwg h LEU 50 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3bwg h LEU 50 CO 0.04 0.24 -0.02 -0.08 0.09 0.00 0.00 178.44 178.71 3bwg h GLU 51 N 0.41 -0.06 -1.03 1.13 4.81 -1.26 0.33 114.58 118.91 3bwg h GLU 51 Ca 0.18 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.67 3bwg h GLU 51 Cb 0.20 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 3bwg h GLU 51 CO -0.04 0.53 0.65 0.37 -0.73 0.00 0.00 179.01 179.79 3bwg h GLN 52 N -0.70 0.43 0.00 1.92 4.15 -0.94 -0.44 115.11 119.53 3bwg h GLN 52 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3bwg h GLN 52 Cb 0.61 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3bwg h GLN 52 CO 0.01 0.29 0.00 -0.22 -1.93 0.00 0.00 178.83 176.98 3bwg h LYS 53 N 0.45 0.00 0.00 1.69 3.64 -0.58 -3.48 116.57 118.29 3bwg h LYS 53 Ca 0.60 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3bwg h LYS 53 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3bwg h LYS 53 CO -0.33 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.26 3bwg n GLY 54 N 0.80 0.46 0.08 5.01 0.00 -0.17 -4.82 105.19 106.55 3bwg n GLY 54 Ca 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 0.61 -2.33 4.61 0.00 -0.58 -3.43 119.26 118.14 3bwg h ALA 55 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 54.91 53.67 3bwg h ALA 55 Cb 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 17.82 3bwg h ALA 55 CO 0.00 1.29 -0.69 0.96 0.00 0.00 0.00 179.25 180.82 3bwg s ILE 56 N -2.72 0.28 0.11 0.00 -4.36 -1.17 -0.93 121.20 112.41 3bwg s ILE 56 Ca -0.02 -1.72 0.07 0.00 -0.26 0.00 0.00 60.65 58.72 3bwg s ILE 56 Cb 0.09 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 3bwg s ILE 56 CO 0.81 -0.92 -0.18 0.72 0.24 0.00 0.00 174.94 175.62 3bwg s PHE 57 N -3.58 1.60 -0.01 1.37 -0.71 0.14 -4.37 117.98 112.41 3bwg s PHE 57 Ca 0.05 -0.47 0.07 0.00 -1.04 0.00 0.00 56.93 55.54 3bwg s PHE 57 Cb 0.05 -0.85 -0.02 0.00 -1.21 0.00 0.00 43.02 40.99 3bwg s PHE 57 CO -0.08 0.19 -0.21 -0.65 -1.34 0.00 0.00 175.22 173.12 3bwg s GLN 58 N -2.22 1.71 -0.14 1.99 -0.21 -1.26 -1.15 119.66 118.38 3bwg s GLN 58 Ca 0.07 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.66 3bwg s GLN 58 Cb -0.08 -1.67 0.04 0.00 1.00 0.00 0.00 33.01 32.30 3bwg s GLN 58 CO 0.04 0.46 -0.01 0.54 -2.12 0.00 0.00 175.29 174.19 3bwg s VAL 59 N -0.52 0.71 -0.01 1.09 0.11 -0.75 -5.04 120.40 115.99 3bwg s VAL 59 Ca 0.08 -0.36 -0.34 0.00 -2.93 0.00 0.00 61.98 58.44 3bwg s VAL 59 Cb -0.08 -0.97 -0.12 0.00 -1.53 0.00 0.00 36.38 33.68 3bwg s VAL 59 CO -0.01 0.09 1.80 -1.14 -3.33 0.00 0.00 175.10 172.51 3bwg n ARG 60 N 5.01 2.20 -0.89 1.54 0.63 -1.26 -1.06 116.66 122.83 3bwg n ARG 60 Ca -0.10 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 3bwg n ARG 60 Cb 0.48 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.76 3bwg n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bwg n GLY 61 N 4.13 0.72 0.64 5.14 0.00 -1.26 -4.84 105.19 109.72 3bwg n GLY 61 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 3bwg n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bwg n SER 62 N 0.00 0.92 0.00 1.61 7.64 -0.23 -5.16 113.62 118.41 3bwg n SER 62 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3bwg n SER 62 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3bwg n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bwg n GLY 63 N 2.33 0.02 3.11 0.23 0.00 -0.92 -5.03 105.19 104.93 3bwg n GLY 63 Ca -0.20 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 3bwg n GLY 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bwg s ILE 64 N -2.94 1.37 -0.03 -0.61 -5.25 -1.26 -1.80 121.20 110.67 3bwg s ILE 64 Ca 0.00 -0.67 0.02 0.00 -0.99 0.00 0.00 60.65 59.00 3bwg s ILE 64 Cb 0.00 -1.19 0.01 0.00 2.95 0.00 0.00 42.46 44.24 3bwg s ILE 64 CO 0.00 0.40 -0.06 -0.36 -1.79 0.00 0.00 174.94 173.13 3bwg s PHE 65 N 0.14 0.76 0.40 1.37 0.40 -0.30 -0.69 117.98 120.06 3bwg s PHE 65 Ca -0.06 -0.19 -0.26 0.00 -0.60 0.00 0.00 56.93 55.82 3bwg s PHE 65 Cb -0.12 -0.60 -0.09 0.00 0.51 0.00 0.00 43.02 42.72 3bwg s PHE 65 CO 0.02 -0.13 1.23 0.54 0.70 0.00 0.00 175.22 177.59 3bwg s VAL 66 N 0.51 2.91 -0.14 -0.44 0.11 -0.55 -0.69 120.40 122.11 3bwg s VAL 66 Ca -0.07 0.79 0.02 0.00 -2.93 0.00 0.00 61.98 59.79 3bwg s VAL 66 Cb -0.11 -3.45 0.01 0.00 -1.53 0.00 0.00 36.38 31.30 3bwg s VAL 66 CO 0.00 0.10 -0.22 -0.60 -3.33 0.00 0.00 175.10 171.05 3bwg s ARG 67 N -2.25 3.03 -0.30 1.54 3.52 -0.11 0.37 118.95 124.75 3bwg s ARG 67 Ca 0.57 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 55.26 3bwg s ARG 67 Cb -0.34 -2.45 0.16 0.00 -1.56 0.00 0.00 34.95 30.76 3bwg s ARG 67 CO 0.43 -0.01 0.65 0.21 -0.81 0.00 0.00 175.30 175.77 3bwg s LYS 68 N 0.80 0.56 0.68 5.12 2.20 -1.26 -4.55 119.74 123.28 3bwg s LYS 68 Ca -0.07 1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 56.60 3bwg s LYS 68 Cb -0.16 0.69 0.01 0.00 -1.51 0.00 0.00 37.83 36.86 3bwg s LYS 68 CO -0.02 -0.40 1.08 -3.38 -0.36 0.00 0.00 175.35 172.27 3bwg s HIS 69 N 2.87 2.83 -1.96 4.03 -3.43 -1.26 -4.11 115.29 114.26 3bwg s HIS 69 Ca 0.08 1.51 0.23 0.00 -0.80 0.00 0.00 55.06 56.07 3bwg s HIS 69 Cb -0.13 -3.02 0.66 0.00 -1.43 0.00 0.00 32.58 28.65 3bwg s HIS 69 CO -0.20 -1.45 1.55 1.63 -2.00 0.00 0.00 174.74 174.27 3bwg n LYS 70 N -2.77 2.77 -3.48 -0.38 4.01 -1.26 -4.97 118.16 112.07 3bwg n LYS 70 Ca 0.09 -2.69 -0.29 0.00 -0.51 0.00 0.00 58.31 54.91 3bwg n LYS 70 Cb 0.53 -1.59 -0.04 0.00 -0.51 0.00 0.00 35.03 33.43 3bwg n LYS 70 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3bwg s ARG 71 N -1.03 3.63 0.29 1.97 0.52 -1.26 -5.12 118.95 117.95 3bwg s ARG 71 Ca 0.50 -0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.75 3bwg s ARG 71 Cb 0.26 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 3bwg s ARG 71 CO 0.33 0.31 0.05 0.15 0.02 0.00 0.00 175.30 176.16 3bwg s LYS 72 N -3.24 2.35 0.00 3.54 -0.14 -1.26 -4.79 119.74 116.20 3bwg s LYS 72 Ca 0.43 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 3bwg s LYS 72 Cb -0.11 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 3bwg s LYS 72 CO 0.28 0.29 0.00 0.41 -0.76 0.00 0.00 175.35 175.57 3bwg n GLY 73 N -0.98 0.52 3.67 -3.33 0.00 -1.26 -5.05 105.19 98.76 3bwg n GLY 73 Ca -0.06 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 3.19 -0.12 1.61 2.02 -1.26 -4.60 117.35 116.19 3bwg s TYR 74 Ca 0.00 0.14 -0.18 0.00 -0.37 0.00 0.00 57.07 56.66 3bwg s TYR 74 Cb 0.00 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3bwg s TYR 74 CO 0.00 0.39 0.49 0.42 -1.57 0.00 0.00 175.55 175.28 3bwg s ILE 75 N -0.58 5.18 0.01 2.71 1.01 0.76 -4.80 121.20 125.49 3bwg s ILE 75 Ca 0.10 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 3bwg s ILE 75 Cb -0.12 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 3bwg s ILE 75 CO 0.02 0.32 1.52 -0.94 0.00 0.00 0.00 174.94 175.86 3bwg s SER 76 N 0.64 6.74 0.19 3.58 1.04 -1.26 -1.34 113.70 123.29 3bwg s SER 76 Ca 0.27 2.25 -0.12 0.00 0.48 0.00 0.00 55.95 58.82 3bwg s SER 76 Cb -0.15 -2.56 0.16 0.00 0.10 0.00 0.00 66.02 63.57 3bwg s SER 76 CO 0.11 -0.81 1.81 0.25 0.98 0.00 0.00 173.24 175.57 3bwg h LEU 77 N 8.73 0.49 -8.88 2.42 5.85 -1.46 -3.40 115.31 119.06 3bwg h LEU 77 Ca -0.39 0.02 -0.64 0.00 0.84 0.00 0.00 57.88 57.71 3bwg h LEU 77 Cb 1.18 -0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.98 3bwg h LEU 77 CO 0.92 0.34 -0.28 -0.76 -0.34 0.00 0.00 178.44 178.32 3bwg s LEU 78 N -10.24 4.15 0.18 2.25 1.43 -1.26 -4.97 118.68 110.22 3bwg s LEU 78 Ca -0.13 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 3bwg s LEU 78 Cb 0.14 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 44.05 3bwg s LEU 78 CO 0.75 -0.22 1.55 0.28 0.23 0.00 0.00 176.35 178.94 3bwg h SER 79 N 8.28 -1.68 -0.20 2.29 0.02 -1.95 -0.49 113.55 119.82 3bwg h SER 79 Ca -0.31 0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3bwg h SER 79 Cb 1.16 0.78 -0.06 0.00 0.14 0.00 0.00 62.40 64.42 3bwg h SER 79 CO 0.65 -0.30 0.16 0.59 -1.14 0.00 0.00 176.83 176.80 3bwg n ASN 80 N -5.38 4.82 -0.00 3.07 4.13 -1.26 -3.48 115.26 117.15 3bwg n ASN 80 Ca 0.04 -2.55 0.05 0.00 1.68 0.00 0.00 54.58 53.79 3bwg n ASN 80 Cb 0.34 -0.90 -0.08 0.00 -1.54 0.00 0.00 39.78 37.60 3bwg n ASN 80 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 3bwg n GLN 81 N 0.69 0.50 0.00 3.52 7.27 -0.19 -4.93 117.38 124.24 3bwg n GLN 81 Ca 0.13 -0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3bwg n GLN 81 Cb 0.61 -1.22 0.00 0.00 2.41 0.00 0.00 30.24 32.04 3bwg n GLN 81 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3bwg n GLY 82 N 1.89 6.07 3.47 1.69 0.00 -1.23 -4.95 105.19 112.13 3bwg n GLY 82 Ca -0.02 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 3bwg n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bwg s ASP 89 N 1.00 6.76 -0.44 1.61 -1.08 -1.26 -5.01 116.67 118.25 3bwg s ASP 89 Ca 0.00 -2.31 -0.27 0.00 -0.52 0.00 0.00 52.55 49.45 3bwg s ASP 89 Cb 0.00 -2.42 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 3bwg s ASP 89 CO 0.00 -1.00 1.00 -0.36 0.52 0.00 0.00 175.17 175.34 3bwg s PHE 90 N 2.54 2.93 -1.06 -5.34 0.08 -1.26 -5.01 117.98 110.86 3bwg s PHE 90 Ca 0.37 0.61 -0.22 0.00 0.12 0.00 0.00 56.93 57.81 3bwg s PHE 90 Cb -0.04 -4.05 0.06 0.00 -0.57 0.00 0.00 43.02 38.42 3bwg s PHE 90 CO -0.06 -1.09 1.48 1.21 -0.10 0.00 0.00 175.22 176.66 3bwg s ASN 91 N 2.22 6.55 -0.21 1.36 2.47 -1.26 -4.97 114.94 121.10 3bwg s ASN 91 Ca 0.41 -1.62 -0.05 0.00 0.42 0.00 0.00 52.86 52.02 3bwg s ASN 91 Cb -0.10 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.12 3bwg s ASN 91 CO 0.26 -1.44 0.01 -0.69 -3.72 0.00 0.00 177.10 171.52 3bwg s VAL 92 N 4.79 3.97 0.35 -5.21 1.01 -1.25 -0.67 120.40 123.38 3bwg s VAL 92 Ca 0.47 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.24 3bwg s VAL 92 Cb 0.00 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 3bwg s VAL 92 CO -0.07 0.41 -0.05 0.42 0.00 0.00 0.00 175.10 175.80 3bwg s THR 93 N 1.20 2.34 -0.00 3.92 -4.23 -0.15 -4.92 115.64 113.79 3bwg s THR 93 Ca 0.03 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 3bwg s THR 93 Cb -0.14 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3bwg s THR 93 CO 0.01 -0.19 -0.10 -0.44 -0.54 0.00 0.00 174.62 173.37 3bwg s SER 94 N -3.65 1.15 -0.30 3.99 0.01 -1.25 0.55 113.70 114.21 3bwg s SER 94 Ca 0.33 -0.20 -0.09 0.00 1.31 0.00 0.00 55.95 57.30 3bwg s SER 94 Cb 0.02 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 3bwg s SER 94 CO 0.17 0.10 0.14 -0.75 0.41 0.00 0.00 173.24 173.32 3bwg s LYS 95 N -0.32 3.47 -0.21 12.44 2.20 0.75 -4.88 119.74 133.20 3bwg s LYS 95 Ca 0.03 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 3bwg s LYS 95 Cb -0.04 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3bwg s LYS 95 CO -0.00 -0.35 1.07 0.08 -0.36 0.00 0.00 175.35 175.79 3bwg s VAL 96 N 1.63 4.63 -0.18 4.02 1.01 -1.26 -0.71 120.40 129.55 3bwg s VAL 96 Ca 0.05 1.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 3bwg s VAL 96 Cb -0.17 -4.27 -0.22 0.00 0.00 0.00 0.00 36.38 31.73 3bwg s VAL 96 CO 0.06 -0.16 0.35 0.40 0.00 0.00 0.00 175.10 175.76 3bwg h ILE 97 N 5.42 1.01 -3.42 2.22 1.08 -1.20 -3.49 117.51 119.13 3bwg h ILE 97 Ca -0.21 -2.25 -0.15 0.00 -0.39 0.00 0.00 64.86 61.86 3bwg h ILE 97 Cb 1.07 2.46 -0.22 0.00 -3.07 0.00 0.00 36.82 37.07 3bwg h ILE 97 CO 0.97 0.46 -0.47 -1.61 -0.69 0.00 0.00 178.15 176.81 3bwg s GLU 98 N -2.38 0.44 -0.25 2.37 2.02 -0.91 -4.97 118.70 115.02 3bwg s GLU 98 Ca -0.26 -0.24 -0.10 0.00 0.02 0.00 0.00 54.97 54.39 3bwg s GLU 98 Cb 0.05 0.19 0.10 0.00 0.10 0.00 0.00 34.13 34.57 3bwg s GLU 98 CO 0.65 -0.10 0.57 -1.17 0.02 0.00 0.00 175.26 175.22 3bwg s LEU 99 N -1.06 -0.84 0.36 1.80 2.96 -1.25 -1.34 118.68 119.31 3bwg s LEU 99 Ca -0.11 1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 54.96 3bwg s LEU 99 Cb -0.06 1.95 0.05 0.00 0.50 0.00 0.00 46.19 48.62 3bwg s LEU 99 CO 0.02 -0.22 0.76 1.51 -1.32 0.00 0.00 176.35 177.09 3bwg s ASP 100 N 2.37 -0.02 -0.15 3.68 1.47 -0.82 -4.99 116.67 118.22 3bwg s ASP 100 Ca -0.06 -1.05 -0.05 0.00 1.18 0.00 0.00 52.55 52.56 3bwg s ASP 100 Cb -0.10 0.82 -0.04 0.00 -0.34 0.00 0.00 42.92 43.26 3bwg s ASP 100 CO -0.17 -1.61 0.03 -0.69 0.68 0.00 0.00 175.17 173.42 3bwg s VAL 101 N -2.67 4.55 0.02 2.11 1.01 -1.26 -1.15 120.40 123.02 3bwg s VAL 101 Ca 0.15 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 3bwg s VAL 101 Cb -0.05 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3bwg s VAL 101 CO 0.11 0.52 0.38 -0.60 0.00 0.00 0.00 175.10 175.50 3bwg s ARG 102 N -0.06 0.84 0.45 2.72 3.52 -0.62 -4.97 118.95 120.82 3bwg s ARG 102 Ca 0.05 -0.31 -0.23 0.00 -0.13 0.00 0.00 55.73 55.12 3bwg s ARG 102 Cb -0.12 0.37 -0.08 0.00 -1.56 0.00 0.00 34.95 33.56 3bwg s ARG 102 CO 0.01 -0.27 1.09 0.15 -0.81 0.00 0.00 175.30 175.48 3bwg s LYS 103 N -2.11 3.90 0.55 5.12 -0.14 -1.26 -1.17 119.74 124.63 3bwg s LYS 103 Ca -0.08 1.58 -0.17 0.00 -1.36 0.00 0.00 55.97 55.94 3bwg s LYS 103 Cb -0.02 -2.37 -0.06 0.00 -1.68 0.00 0.00 37.83 33.70 3bwg s LYS 103 CO -0.00 -0.38 1.03 -1.25 -0.76 0.00 0.00 175.35 173.99 3bwg s PRO 104 N -2.76 3.58 0.71 -1.68 0.04 -1.26 -4.87 135.00 128.77 3bwg s PRO 104 Ca 0.63 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 3bwg s PRO 104 Cb -0.23 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.26 3bwg s PRO 104 CO 0.28 -0.59 1.11 0.95 0.04 0.00 0.00 177.00 178.79 3bwg s THR 105 N -2.44 3.22 0.41 1.26 -4.23 -1.26 -4.82 115.64 107.78 3bwg s THR 105 Ca 0.63 0.50 0.21 0.00 -1.18 0.00 0.00 61.69 61.84 3bwg s THR 105 Cb -0.14 -2.99 0.41 0.00 1.34 0.00 0.00 72.50 71.11 3bwg s THR 105 CO 0.33 -0.42 1.77 -0.65 -0.54 0.00 0.00 174.62 175.11 3bwg h PRO 106 N -0.46 0.33 -0.49 3.99 0.11 -1.99 -0.21 132.00 133.29 3bwg h PRO 106 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3bwg h PRO 106 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3bwg h PRO 106 CO 0.53 0.22 -0.13 1.49 -0.21 0.00 0.00 178.00 179.89 3bwg h GLU 107 N 0.34 0.95 -0.37 1.05 4.81 -2.00 -1.68 114.58 117.69 3bwg h GLU 107 Ca 0.59 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 3bwg h GLU 107 Cb 1.59 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 3bwg h GLU 107 CO -0.27 1.04 -0.38 0.00 -0.73 0.00 0.00 179.01 178.67 3bwg h ALA 108 N 0.88 0.63 -0.60 2.92 0.00 -1.72 -2.21 119.26 119.17 3bwg h ALA 108 Ca 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3bwg h ALA 108 Cb 0.70 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3bwg h ALA 108 CO 0.05 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.99 3bwg h ALA 109 N 0.84 0.81 -0.47 0.00 0.00 -0.99 -0.67 119.26 118.78 3bwg h ALA 109 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3bwg h ALA 109 Cb 0.96 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3bwg h ALA 109 CO 0.09 0.64 0.01 1.49 0.00 0.00 0.00 179.25 181.48 3bwg h GLU 110 N 0.95 0.83 -0.01 0.00 4.22 -1.27 0.31 114.58 119.60 3bwg h GLU 110 Ca 0.17 -0.26 -0.11 0.00 0.08 0.00 0.00 59.36 59.25 3bwg h GLU 110 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3bwg h GLU 110 CO 0.03 0.87 -0.49 -0.91 -2.18 0.00 0.00 179.01 176.33 3bwg h ASN 111 N 0.68 0.04 0.15 1.04 2.35 -1.11 -3.05 115.58 115.68 3bwg h ASN 111 Ca 0.14 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3bwg h ASN 111 Cb 0.49 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3bwg h ASN 111 CO 0.02 0.52 -0.29 0.18 -1.65 0.00 0.00 177.43 176.21 3bwg n LEU 112 N -3.96 1.36 -3.30 1.61 4.77 -0.28 -4.91 117.00 112.29 3bwg n LEU 112 Ca -0.02 -0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 55.37 3bwg n LEU 112 Cb 0.51 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3bwg n LEU 112 CO 0.41 0.25 0.13 -3.20 -1.33 0.00 0.00 177.39 173.65 3bwg n ASN 113 N -0.39 -2.97 -4.44 -1.43 5.15 -0.08 -4.47 115.26 106.63 3bwg n ASN 113 Ca 0.12 -0.56 -0.21 0.00 -0.60 0.00 0.00 54.58 53.32 3bwg n ASN 113 Cb 0.39 -4.80 -0.11 0.00 -0.53 0.00 0.00 39.78 34.73 3bwg n ASN 113 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3bwg s ILE 114 N -3.33 1.30 0.00 -1.44 -4.36 -0.20 -5.04 121.20 108.13 3bwg s ILE 114 Ca 0.13 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3bwg s ILE 114 Cb -0.06 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.97 3bwg s ILE 114 CO 0.68 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 176.37 3bwg n GLY 115 N -0.65 0.82 1.83 6.27 0.00 -1.26 -4.61 105.19 107.58 3bwg n GLY 115 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3bwg n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bwg n ASP 117 N 0.00 0.00 -4.68 1.61 5.75 -1.26 -4.81 116.55 113.16 3bwg n ASP 117 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.38 3bwg n ASP 117 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3bwg n ASP 117 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3bwg s GLU 118 N 0.00 4.28 0.44 0.11 2.02 -1.26 -5.03 118.70 119.26 3bwg s GLU 118 Ca 0.00 0.64 -0.25 0.00 0.02 0.00 0.00 54.97 55.38 3bwg s GLU 118 Cb 0.00 -3.53 -0.08 0.00 0.10 0.00 0.00 34.13 30.62 3bwg s GLU 118 CO 0.00 -0.12 1.28 -0.51 0.02 0.00 0.00 175.26 175.94 3bwg s ASP 119 N 1.03 6.12 0.20 -0.19 1.01 -1.26 -4.08 116.67 119.50 3bwg s ASP 119 Ca 0.30 2.60 0.10 0.00 0.71 0.00 0.00 52.55 56.26 3bwg s ASP 119 Cb -0.16 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 3bwg s ASP 119 CO 0.12 -0.98 -0.20 0.27 0.21 0.00 0.00 175.17 174.59 3bwg s ILE 120 N -1.33 2.11 0.05 0.77 -5.25 -0.32 -1.81 121.20 115.43 3bwg s ILE 120 Ca 0.61 -2.09 -0.25 0.00 -0.99 0.00 0.00 60.65 57.93 3bwg s ILE 120 Cb -0.36 -2.05 -0.06 0.00 2.95 0.00 0.00 42.46 42.94 3bwg s ILE 120 CO 0.46 -0.30 0.75 -0.31 -1.79 0.00 0.00 174.94 173.75 3bwg s TYR 121 N -2.13 3.74 -0.16 1.37 1.51 0.10 -1.59 117.35 120.20 3bwg s TYR 121 Ca 0.21 1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.72 3bwg s TYR 121 Cb -0.06 -2.80 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 3bwg s TYR 121 CO 0.09 0.30 -0.10 -0.47 -1.11 0.00 0.00 175.55 174.26 3bwg s TYR 122 N -0.14 2.87 -0.06 2.71 5.04 -0.30 -0.48 117.35 126.99 3bwg s TYR 122 Ca 0.38 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 54.32 3bwg s TYR 122 Cb -0.20 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.18 3bwg s TYR 122 CO 0.23 -0.30 -0.18 0.54 -1.34 0.00 0.00 175.55 174.49 3bwg s VAL 123 N 0.68 1.57 -0.17 3.14 0.11 0.59 -1.95 120.40 124.38 3bwg s VAL 123 Ca -0.05 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 3bwg s VAL 123 Cb -0.15 -1.37 -0.00 0.00 -1.53 0.00 0.00 36.38 33.33 3bwg s VAL 123 CO 0.02 0.45 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.37 3bwg s LYS 124 N 0.26 3.28 0.07 1.54 2.20 -0.45 0.18 119.74 126.82 3bwg s LYS 124 Ca -0.10 -0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 54.69 3bwg s LYS 124 Cb -0.14 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 3bwg s LYS 124 CO 0.04 -0.02 0.25 -0.98 -0.36 0.00 0.00 175.35 174.28 3bwg s ARG 125 N 0.94 0.84 -0.19 4.03 1.70 -0.04 -0.57 118.95 125.66 3bwg s ARG 125 Ca -0.02 -0.76 -0.05 0.00 -0.47 0.00 0.00 55.73 54.43 3bwg s ARG 125 Cb -0.15 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 3bwg s ARG 125 CO -0.01 -0.27 0.00 0.08 -1.08 0.00 0.00 175.30 174.02 3bwg s VAL 126 N -3.32 4.03 0.10 4.99 1.01 0.11 -1.49 120.40 125.84 3bwg s VAL 126 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3bwg s VAL 126 Cb 0.02 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3bwg s VAL 126 CO -0.08 0.44 0.25 -0.13 0.00 0.00 0.00 175.10 175.58 3bwg s ARG 127 N 0.84 3.46 -0.04 2.72 0.52 0.32 -0.18 118.95 126.58 3bwg s ARG 127 Ca 0.01 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 3bwg s ARG 127 Cb -0.14 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.33 3bwg s ARG 127 CO 0.02 0.57 -0.15 0.71 0.02 0.00 0.00 175.30 176.47 3bwg s TYR 128 N -1.60 1.50 -0.18 -0.53 2.02 0.19 0.92 117.35 119.67 3bwg s TYR 128 Ca 0.35 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3bwg s TYR 128 Cb -0.12 -1.03 -0.00 0.00 -0.40 0.00 0.00 41.96 40.40 3bwg s TYR 128 CO 0.28 -0.17 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.47 3bwg s ILE 129 N 0.17 2.82 -1.13 2.71 -1.16 0.26 -0.98 121.20 123.90 3bwg s ILE 129 Ca -0.05 -0.70 -0.09 0.00 -0.51 0.00 0.00 60.65 59.29 3bwg s ILE 129 Cb -0.11 -2.23 0.08 0.00 0.61 0.00 0.00 42.46 40.81 3bwg s ILE 129 CO 0.02 0.49 0.38 0.59 -2.81 0.00 0.00 174.94 173.61 3bwg n ASN 130 N 4.34 -2.92 0.00 4.50 3.02 0.16 0.12 115.26 124.48 3bwg n ASN 130 Ca -0.19 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3bwg n ASN 130 Cb 0.51 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 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 -1.00 1.64 3.92 7.41 0.00 -1.26 -5.05 105.19 110.83 3bwg n GLY 131 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.33 3.31 0.17 1.61 -1.52 0.12 -5.07 119.66 117.95 3bwg s GLN 132 Ca 0.00 -0.73 -0.32 0.00 -1.95 0.00 0.00 55.36 52.36 3bwg s GLN 132 Cb 0.00 -2.86 -0.10 0.00 -0.22 0.00 0.00 33.01 29.83 3bwg s GLN 132 CO 0.00 0.48 1.63 0.95 -0.25 0.00 0.00 175.29 178.09 3bwg s THR 133 N -1.85 2.50 -0.22 -0.19 -4.23 -1.26 0.92 115.64 111.31 3bwg s THR 133 Ca 0.34 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 3bwg s THR 133 Cb -0.10 -3.21 -0.12 0.00 1.34 0.00 0.00 72.50 70.41 3bwg s THR 133 CO 0.28 0.02 -0.14 -0.11 -0.54 0.00 0.00 174.62 174.13 3bwg n LEU 134 N 4.20 1.90 -3.47 4.79 7.94 0.26 -4.64 117.00 127.98 3bwg n LEU 134 Ca 0.15 0.41 -0.11 0.00 -1.11 0.00 0.00 56.01 55.35 3bwg n LEU 134 Cb 0.38 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.44 3bwg n LEU 134 CO 0.62 0.19 0.42 0.00 -1.11 0.00 0.00 177.39 177.52 3bwg s TYR 136 N -3.73 2.86 -0.03 0.00 5.04 0.02 -0.52 117.35 120.99 3bwg s TYR 136 Ca 0.02 -0.71 0.02 0.00 -2.44 0.00 0.00 57.07 53.96 3bwg s TYR 136 Cb -0.01 -1.91 0.01 0.00 0.35 0.00 0.00 41.96 40.39 3bwg s TYR 136 CO -0.11 -0.28 -0.08 -2.00 -1.34 0.00 0.00 175.55 171.74 3bwg s GLU 137 N 0.61 0.92 -0.14 4.97 2.12 -0.55 -0.94 118.70 125.70 3bwg s GLU 137 Ca -0.06 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.04 3bwg s GLU 137 Cb -0.15 -0.87 0.01 0.00 0.26 0.00 0.00 34.13 33.38 3bwg s GLU 137 CO 0.03 0.06 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.38 3bwg s GLU 138 N 0.37 3.00 0.12 4.30 2.02 -0.27 -0.86 118.70 127.37 3bwg s GLU 138 Ca -0.06 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.12 3bwg s GLU 138 Cb -0.10 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 3bwg s GLU 138 CO 0.01 -0.01 -0.09 -1.54 0.02 0.00 0.00 175.26 173.65 3bwg s SER 139 N 0.81 1.46 -0.11 -0.19 1.04 0.13 -0.23 113.70 116.60 3bwg s SER 139 Ca -0.07 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.39 3bwg s SER 139 Cb -0.16 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.02 3bwg s SER 139 CO -0.02 -0.37 -0.10 -0.31 0.98 0.00 0.00 173.24 173.42 3bwg s TYR 140 N -3.27 1.65 -0.11 5.02 2.02 0.16 -0.30 117.35 122.52 3bwg s TYR 140 Ca 0.12 -0.80 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 3bwg s TYR 140 Cb 0.03 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 3bwg s TYR 140 CO -0.02 -0.49 -0.23 0.71 -1.57 0.00 0.00 175.55 173.95 3bwg s TYR 141 N 1.38 2.58 -0.01 2.71 2.02 0.37 -1.37 117.35 125.02 3bwg s TYR 141 Ca -0.00 -1.06 -0.30 0.00 -0.37 0.00 0.00 57.07 55.34 3bwg s TYR 141 Cb -0.13 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.63 3bwg s TYR 141 CO -0.06 -0.43 1.84 0.99 -1.57 0.00 0.00 175.55 176.32 3bwg s THR 142 N 0.39 3.27 0.02 -0.71 2.01 -1.02 -0.72 115.64 118.89 3bwg s THR 142 Ca -0.18 0.32 0.22 0.00 0.31 0.00 0.00 61.69 62.37 3bwg s THR 142 Cb -0.18 -3.21 0.20 0.00 0.01 0.00 0.00 72.50 69.33 3bwg s THR 142 CO 0.08 -0.03 1.73 0.50 -0.69 0.00 0.00 174.62 176.20 3bwg h LYS 143 N 10.30 0.00 0.00 4.92 3.64 -1.56 -0.25 116.57 133.61 3bwg h LYS 143 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3bwg h LYS 143 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3bwg h LYS 143 CO 0.95 0.27 0.00 -1.13 -2.27 0.00 0.00 179.45 177.27 3bwg n SER 144 N -3.33 0.00 -0.00 4.20 3.41 -1.26 -3.33 113.62 113.31 3bwg n SER 144 Ca 0.01 0.13 -0.03 0.00 -0.26 0.00 0.00 58.87 58.72 3bwg n SER 144 Cb 0.50 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.33 1.32 -2.85 -1.33 5.41 -0.70 -4.82 119.36 115.05 3bwg n ILE 145 Ca 0.07 0.31 -0.43 0.00 1.00 0.00 0.00 62.75 63.70 3bwg n ILE 145 Cb 0.15 -1.86 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 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 -2.32 4.56 -0.01 1.39 1.01 -0.19 -4.87 120.40 119.97 3bwg s VAL 146 Ca -0.10 -1.40 0.15 0.00 0.00 0.00 0.00 61.98 60.63 3bwg s VAL 146 Cb 0.01 -4.83 0.05 0.00 0.00 0.00 0.00 36.38 31.61 3bwg s VAL 146 CO 0.15 -1.59 1.52 0.71 0.00 0.00 0.00 175.10 175.89 3bwg h THR 147 N 6.03 0.98 -3.07 3.92 1.35 -1.82 -3.39 112.91 116.90 3bwg h THR 147 Ca 0.16 -2.14 -0.16 0.00 -0.55 0.00 0.00 66.41 63.72 3bwg h THR 147 Cb 1.02 2.31 -0.26 0.00 -1.73 0.00 0.00 68.15 69.50 3bwg h THR 147 CO 1.17 0.51 -0.40 -0.47 -0.25 0.00 0.00 175.52 176.08 3bwg s TYR 148 N -3.14 -0.30 0.04 4.73 5.04 -1.26 -5.00 117.35 117.45 3bwg s TYR 148 Ca 0.02 0.74 -0.04 0.00 -2.44 0.00 0.00 57.07 55.35 3bwg s TYR 148 Cb 0.09 0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.48 3bwg s TYR 148 CO 0.73 -0.15 0.05 -0.51 -1.34 0.00 0.00 175.55 174.34 3bwg s LEU 149 N 0.22 2.00 0.31 6.97 1.43 -1.26 -5.10 118.68 123.24 3bwg s LEU 149 Ca -0.01 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3bwg s LEU 149 Cb -0.02 0.44 -0.00 0.00 0.03 0.00 0.00 46.19 46.64 3bwg s LEU 149 CO -0.00 -0.49 0.44 0.54 0.23 0.00 0.00 176.35 177.07 3bwg s ASN 150 N -2.15 0.65 0.14 2.29 2.20 -1.26 -5.04 114.94 111.77 3bwg s ASN 150 Ca -0.05 -1.37 -0.22 0.00 -0.94 0.00 0.00 52.86 50.29 3bwg s ASN 150 Cb -0.01 0.62 0.01 0.00 -2.00 0.00 0.00 41.25 39.87 3bwg s ASN 150 CO -0.05 -1.22 1.65 -1.13 -2.94 0.00 0.00 177.10 173.42 3bwg h ASN 151 N 2.19 -0.58 -0.65 3.54 -0.73 -1.97 -1.99 115.58 115.38 3bwg h ASN 151 Ca -0.29 0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.02 3bwg h ASN 151 Cb 1.24 0.28 -0.04 0.00 0.27 0.00 0.00 38.32 40.07 3bwg h ASN 151 CO 0.39 -0.23 0.41 -0.08 -0.37 0.00 0.00 177.43 177.56 3bwg h GLU 152 N -0.20 0.79 -0.63 6.67 4.81 -1.99 -0.17 114.58 123.86 3bwg h GLU 152 Ca 0.12 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3bwg h GLU 152 Cb 0.38 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 3bwg h GLU 152 CO -0.31 0.52 0.28 0.82 -0.73 0.00 0.00 179.01 179.60 3bwg h ILE 153 N 0.81 0.83 -0.00 2.32 2.04 -1.86 -2.29 117.51 119.37 3bwg h ILE 153 Ca 0.26 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3bwg h ILE 153 Cb -0.01 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3bwg h ILE 153 CO -0.09 0.09 -0.24 0.52 0.00 0.00 0.00 178.15 178.43 3bwg n VAL 154 N -4.92 0.00 0.52 1.67 0.31 -0.79 -2.18 118.33 112.94 3bwg n VAL 154 Ca 0.09 -0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.52 3bwg n VAL 154 Cb 0.25 -0.07 0.45 0.00 -0.91 0.00 0.00 33.84 33.56 3bwg n VAL 154 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3bwg n SER 155 N -1.36 0.59 -0.21 4.52 7.64 -0.12 -4.88 113.62 119.80 3bwg n SER 155 Ca 0.08 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.57 3bwg n SER 155 Cb 0.33 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3bwg n SER 155 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3bwg n HIS 156 N -2.11 0.00 -1.96 1.43 8.25 -0.93 -3.79 115.22 116.12 3bwg n HIS 156 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 3bwg n HIS 156 Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 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 0.76 5.70 0.25 0.41 0.15 -1.26 -4.87 113.70 114.83 3bwg s SER 157 Ca 0.00 1.19 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 3bwg s SER 157 Cb 0.00 -2.52 0.29 0.00 -1.71 0.00 0.00 66.02 62.08 3bwg s SER 157 CO 0.00 -1.88 1.77 0.40 1.20 0.00 0.00 173.24 174.73 3bwg h ILE 158 N 6.88 1.24 -0.95 6.45 2.04 -1.90 -2.85 117.51 128.43 3bwg h ILE 158 Ca -0.33 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.64 3bwg h ILE 158 Cb 1.18 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3bwg h ILE 158 CO 1.06 0.34 0.62 -0.26 0.00 0.00 0.00 178.15 179.91 3bwg h PHE 159 N 0.87 1.17 -0.60 1.37 0.04 -1.96 -0.52 116.94 117.30 3bwg h PHE 159 Ca 0.18 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 3bwg h PHE 159 Cb 0.37 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3bwg h PHE 159 CO 0.02 0.70 0.16 1.25 -0.60 0.00 0.00 178.31 179.85 3bwg h HIS 160 N 1.24 1.00 -0.35 -0.55 2.76 -1.94 0.12 115.15 117.42 3bwg h HIS 160 Ca 0.36 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3bwg h HIS 160 Cb -0.07 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.59 3bwg h HIS 160 CO -0.01 0.83 0.17 -0.92 -1.30 0.00 0.00 177.93 176.71 3bwg h TYR 161 N 0.87 0.51 -0.58 5.26 3.20 -1.27 0.61 116.97 125.57 3bwg h TYR 161 Ca 0.19 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3bwg h TYR 161 Cb 0.33 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3bwg h TYR 161 CO 0.02 0.44 0.38 0.82 -1.64 0.00 0.00 178.16 178.18 3bwg h ILE 162 N 0.44 1.16 -0.00 1.81 2.04 -0.70 0.56 117.51 122.81 3bwg h ILE 162 Ca 0.12 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3bwg h ILE 162 Cb 0.12 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3bwg h ILE 162 CO -0.02 0.15 -0.06 0.03 0.00 0.00 0.00 178.15 178.26 3bwg h ARG 163 N 0.79 0.04 0.08 2.37 3.08 -0.67 -1.64 114.38 118.42 3bwg h ARG 163 Ca 0.21 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.99 3bwg h ARG 163 Cb -0.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3bwg h ARG 163 CO -0.04 0.81 -1.16 1.49 -1.07 0.00 0.00 179.97 180.00 3bwg h GLU 164 N -0.71 0.17 0.19 0.04 4.22 0.20 -2.42 114.58 116.27 3bwg h GLU 164 Ca -0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 59.36 59.14 3bwg h GLU 164 Cb 0.83 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3bwg h GLU 164 CO 0.01 1.14 -0.09 0.78 -2.18 0.00 0.00 179.01 178.66 3bwg h GLY 165 N -0.30 -0.27 1.59 1.92 0.00 -0.02 -3.34 103.07 102.65 3bwg h GLY 165 Ca -0.26 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3bwg h GLY 165 CO 0.00 -0.10 -0.28 1.04 0.00 0.00 0.00 176.54 177.21 3bwg n LEU 166 N -4.94 0.63 -2.17 3.11 4.77 0.05 -4.95 117.00 113.50 3bwg n LEU 166 Ca -0.06 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 3bwg n LEU 166 Cb 0.22 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3bwg n LEU 166 CO 0.19 -0.08 -0.13 0.61 -1.33 0.00 0.00 177.39 176.65 3bwg n GLY 167 N 1.37 -0.32 3.85 -0.72 0.00 -0.91 -4.99 105.19 103.46 3bwg n GLY 167 Ca 0.05 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.17 4.03 -0.33 0.99 1.43 -0.66 -5.00 118.68 113.97 3bwg s LEU 168 Ca 0.10 1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 54.37 3bwg s LEU 168 Cb -0.04 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 42.10 3bwg s LEU 168 CO 0.12 -0.24 0.16 -0.54 0.23 0.00 0.00 176.35 176.08 3bwg s LYS 169 N -3.11 3.08 -0.14 1.70 -0.14 -1.26 -4.27 119.74 115.60 3bwg s LYS 169 Ca 0.54 -0.90 -0.24 0.00 -1.36 0.00 0.00 55.97 54.01 3bwg s LYS 169 Cb -0.10 -3.60 -0.02 0.00 -1.68 0.00 0.00 37.83 32.43 3bwg s LYS 169 CO 0.19 -0.54 0.76 0.42 -0.76 0.00 0.00 175.35 175.42 3bwg s ILE 170 N 1.56 4.95 0.00 2.17 1.01 -1.26 -1.83 121.20 127.80 3bwg s ILE 170 Ca 0.03 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.18 3bwg s ILE 170 Cb -0.18 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3bwg s ILE 170 CO 0.06 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3bwg n GLY 171 N 3.42 0.53 3.93 6.18 0.00 0.30 -4.64 105.19 114.91 3bwg n GLY 171 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 3.66 3.08 0.07 1.61 -0.12 -1.24 -4.69 117.98 120.34 3bwg s PHE 172 Ca 0.00 0.45 -0.10 0.00 -0.05 0.00 0.00 56.93 57.23 3bwg s PHE 172 Cb 0.00 -2.87 0.00 0.00 -0.63 0.00 0.00 43.02 39.53 3bwg s PHE 172 CO 0.00 -1.00 0.21 -1.54 -0.05 0.00 0.00 175.22 172.84 3bwg s SER 173 N -4.39 0.05 -0.07 1.98 1.04 -1.26 -0.63 113.70 110.42 3bwg s SER 173 Ca 0.56 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.53 3bwg s SER 173 Cb -0.11 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 3bwg s SER 173 CO 0.43 -0.67 -0.20 -1.81 0.98 0.00 0.00 173.24 171.97 3bwg s ASP 174 N -2.53 2.59 -0.09 7.02 1.01 -0.65 -5.00 116.67 119.02 3bwg s ASP 174 Ca 0.01 -0.45 0.04 0.00 0.71 0.00 0.00 52.55 52.86 3bwg s ASP 174 Cb 0.02 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 43.00 3bwg s ASP 174 CO -0.08 0.15 -0.21 -0.76 0.21 0.00 0.00 175.17 174.48 3bwg s LEU 175 N 0.20 1.99 -0.19 1.23 1.02 -1.26 -1.35 118.68 120.32 3bwg s LEU 175 Ca -0.11 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 53.53 3bwg s LEU 175 Cb -0.15 -1.27 0.00 0.00 0.02 0.00 0.00 46.19 44.79 3bwg s LEU 175 CO 0.05 0.13 -0.12 -0.36 0.02 0.00 0.00 176.35 176.08 3bwg s PHE 176 N 0.39 2.86 -0.10 0.29 0.08 -0.05 -4.99 117.98 116.47 3bwg s PHE 176 Ca -0.17 -1.20 0.03 0.00 0.12 0.00 0.00 56.93 55.71 3bwg s PHE 176 Cb -0.17 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3bwg s PHE 176 CO 0.08 -0.62 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.87 3bwg s LEU 177 N 1.28 2.33 0.07 -0.37 1.02 -1.26 -0.61 118.68 121.15 3bwg s LEU 177 Ca 0.03 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.76 3bwg s LEU 177 Cb -0.14 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 3bwg s LEU 177 CO -0.06 0.19 -0.08 -1.00 0.02 0.00 0.00 176.35 175.41 3bwg s HIS 178 N 0.20 0.85 -0.08 0.29 3.76 0.30 -5.00 115.29 115.62 3bwg s HIS 178 Ca -0.12 -0.64 0.03 0.00 -0.15 0.00 0.00 55.06 54.18 3bwg s HIS 178 Cb -0.16 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.02 3bwg s HIS 178 CO 0.07 -0.07 -0.18 0.08 -0.85 0.00 0.00 174.74 173.78 3bwg s VAL 179 N -2.21 2.69 0.00 -0.90 1.01 -1.26 -0.81 120.40 118.92 3bwg s VAL 179 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3bwg s VAL 179 Cb -0.04 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3bwg s VAL 179 CO -0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3bwg n GLY 180 N 2.91 3.27 3.78 4.51 0.00 -0.63 -4.99 105.19 114.04 3bwg n GLY 180 Ca -0.18 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 1.10 3.48 0.45 1.61 -0.21 -1.26 -0.09 119.66 124.74 3bwg s GLN 181 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 55.36 54.89 3bwg s GLN 181 Cb 0.00 -3.12 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 3bwg s GLN 181 CO 0.00 0.64 1.41 -0.51 -2.12 0.00 0.00 175.29 174.71 3bwg s LEU 182 N -0.64 4.12 0.00 2.90 1.43 0.13 -4.79 118.68 121.82 3bwg s LEU 182 Ca 0.12 2.89 0.05 0.00 -1.03 0.00 0.00 54.13 56.16 3bwg s LEU 182 Cb -0.12 -3.94 0.07 0.00 0.03 0.00 0.00 46.19 42.23 3bwg s LEU 182 CO 0.02 -1.15 0.53 -0.46 0.23 0.00 0.00 176.35 175.52 3bwg n ASN 183 N -0.18 1.23 -0.01 2.29 0.23 -1.26 -1.04 115.26 116.53 3bwg n ASN 183 Ca 0.05 -1.91 -0.11 0.00 -0.53 0.00 0.00 54.58 52.07 3bwg n ASN 183 Cb 0.42 -0.30 -0.06 0.00 -2.08 0.00 0.00 39.78 37.77 3bwg n ASN 183 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3bwg h GLU 184 N 0.00 0.14 -0.12 -3.83 4.39 -1.97 -0.37 114.58 112.81 3bwg h GLU 184 Ca -0.18 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.36 3bwg h GLU 184 Cb 0.78 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3bwg h GLU 184 CO 0.24 0.14 -0.58 1.05 -1.16 0.00 0.00 179.01 178.70 3bwg h GLU 185 N 0.09 0.39 -0.09 2.33 4.11 -1.98 0.28 114.58 119.71 3bwg h GLU 185 Ca 0.04 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 3bwg h GLU 185 Cb 0.04 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3bwg h GLU 185 CO -0.01 0.86 -0.00 0.93 0.07 0.00 0.00 179.01 180.86 3bwg h GLU 186 N 0.30 0.17 -0.63 1.06 5.08 -1.93 0.91 114.58 119.52 3bwg h GLU 186 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3bwg h GLU 186 Cb 1.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3bwg h GLU 186 CO 0.10 0.44 0.36 0.00 -1.00 0.00 0.00 179.01 178.91 3bwg h ALA 187 N 0.72 0.81 0.65 3.43 0.00 -1.05 0.56 119.26 124.37 3bwg h ALA 187 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3bwg h ALA 187 Cb 0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3bwg h ALA 187 CO 0.01 0.30 -0.38 1.49 0.00 0.00 0.00 179.25 180.66 3bwg h GLU 188 N 0.86 -0.93 -0.89 0.00 4.57 -0.88 -0.17 114.58 117.14 3bwg h GLU 188 Ca 0.22 0.06 0.20 0.00 -1.18 0.00 0.00 59.36 58.67 3bwg h GLU 188 Cb 0.01 0.21 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 3bwg h GLU 188 CO -0.04 -0.62 0.59 1.88 -1.18 0.00 0.00 179.01 179.64 3bwg h TYR 189 N -0.97 0.50 0.00 0.92 0.05 -0.69 -2.89 116.97 113.88 3bwg h TYR 189 Ca -0.08 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3bwg h TYR 189 Cb 0.78 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.37 3bwg h TYR 189 CO -0.09 0.13 -0.77 1.28 -1.05 0.00 0.00 178.16 177.67 3bwg n LEU 190 N -4.49 0.72 -0.12 3.88 4.77 0.18 -4.97 117.00 116.95 3bwg n LEU 190 Ca 0.19 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3bwg n LEU 190 Cb 0.70 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3bwg n LEU 190 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3bwg n GLY 191 N 1.48 0.58 3.43 -0.72 0.00 -0.34 -4.68 105.19 104.94 3bwg n GLY 191 Ca 0.04 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 3bwg n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwg s LEU 192 N -0.24 1.96 -0.01 0.99 1.43 -0.22 -5.05 118.68 117.54 3bwg s LEU 192 Ca 0.00 -1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 51.46 3bwg s LEU 192 Cb 0.00 -0.16 -0.06 0.00 0.03 0.00 0.00 46.19 46.00 3bwg s LEU 192 CO 0.00 -0.76 0.43 -0.70 0.23 0.00 0.00 176.35 175.55 3bwg s GLU 193 N -3.86 3.99 0.34 1.70 2.12 -1.26 -4.18 118.70 117.55 3bwg s GLU 193 Ca 0.33 0.44 -0.27 0.00 0.36 0.00 0.00 54.97 55.83 3bwg s GLU 193 Cb 0.06 -3.25 -0.13 0.00 0.26 0.00 0.00 34.13 31.08 3bwg s GLU 193 CO 0.15 0.63 1.02 0.00 -0.54 0.00 0.00 175.26 176.52 3bwg n ALA 194 N 2.03 0.03 0.00 6.30 0.00 -1.26 -2.54 120.51 125.07 3bwg n ALA 194 Ca -0.13 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3bwg n ALA 194 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3bwg n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwg n GLY 195 N 1.18 3.33 3.69 0.00 0.00 -0.20 -4.93 105.19 108.25 3bwg n GLY 195 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 2.47 0.60 0.99 1.43 -1.05 -4.49 118.68 118.63 3bwg s LEU 196 Ca 0.00 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 54.75 3bwg s LEU 196 Cb 0.00 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 3bwg s LEU 196 CO 0.00 -2.85 1.10 -2.16 0.23 0.00 0.00 176.35 172.67 3bwg s PRO 197 N -4.77 3.11 -0.01 1.29 0.04 -1.26 0.17 135.00 133.56 3bwg s PRO 197 Ca 0.65 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3bwg s PRO 197 Cb -0.20 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3bwg s PRO 197 CO 0.58 -1.01 0.17 -1.59 0.04 0.00 0.00 177.00 175.19 3bwg s LYS 198 N -3.82 0.46 -0.05 4.56 -2.85 0.87 -4.46 119.74 114.45 3bwg s LYS 198 Ca 0.68 -0.25 -0.24 0.00 -1.00 0.00 0.00 55.97 55.16 3bwg s LYS 198 Cb -0.20 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.73 3bwg s LYS 198 CO 0.35 -0.11 0.73 -1.17 0.10 0.00 0.00 175.35 175.26 3bwg s LEU 199 N -1.10 4.33 -0.18 2.77 2.96 -1.26 -1.61 118.68 124.59 3bwg s LEU 199 Ca -0.12 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3bwg s LEU 199 Cb -0.06 -3.14 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3bwg s LEU 199 CO 0.02 -0.12 -0.18 -0.47 -1.32 0.00 0.00 176.35 174.28 3bwg s TYR 200 N 0.74 2.67 -0.10 5.38 5.04 0.01 -1.47 117.35 129.61 3bwg s TYR 200 Ca 0.39 -1.60 0.04 0.00 -2.44 0.00 0.00 57.07 53.45 3bwg s TYR 200 Cb -0.18 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.29 3bwg s TYR 200 CO 0.19 -0.78 -0.23 0.42 -1.34 0.00 0.00 175.55 173.82 3bwg s ILE 201 N 1.32 1.96 -0.23 3.14 1.01 0.16 -0.54 121.20 128.03 3bwg s ILE 201 Ca 0.04 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 3bwg s ILE 201 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3bwg s ILE 201 CO -0.12 0.54 0.10 -1.61 0.00 0.00 0.00 174.94 173.85 3bwg s GLU 202 N 0.44 3.83 -0.03 2.79 2.02 0.22 -0.71 118.70 127.26 3bwg s GLU 202 Ca -0.17 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.50 3bwg s GLU 202 Cb -0.17 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 3bwg s GLU 202 CO 0.07 -0.04 -0.25 -1.12 0.02 0.00 0.00 175.26 173.95 3bwg s SER 203 N 1.24 2.97 -0.15 -0.19 0.01 0.32 -0.87 113.70 117.03 3bwg s SER 203 Ca 0.05 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3bwg s SER 203 Cb -0.14 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.64 3bwg s SER 203 CO 0.04 0.29 -0.15 -0.63 0.41 0.00 0.00 173.24 173.20 3bwg s ILE 204 N -0.47 1.66 -0.07 1.44 1.09 -0.46 -0.90 121.20 123.50 3bwg s ILE 204 Ca 0.06 -0.69 -0.02 0.00 -1.10 0.00 0.00 60.65 58.89 3bwg s ILE 204 Cb -0.11 -1.54 -0.04 0.00 -1.06 0.00 0.00 42.46 39.72 3bwg s ILE 204 CO 0.00 0.47 0.04 -0.36 -0.10 0.00 0.00 174.94 175.00 3bwg s PHE 205 N 1.38 3.26 0.12 3.97 0.08 0.07 -1.64 117.98 125.22 3bwg s PHE 205 Ca 0.03 0.25 0.10 0.00 0.12 0.00 0.00 56.93 57.43 3bwg s PHE 205 Cb -0.13 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 3bwg s PHE 205 CO -0.10 0.54 -0.25 -1.01 -0.10 0.00 0.00 175.22 174.30 3bwg s HIS 206 N -0.99 2.12 0.80 0.36 3.76 0.20 -0.66 115.29 120.88 3bwg s HIS 206 Ca 0.16 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.56 3bwg s HIS 206 Cb -0.12 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.49 3bwg s HIS 206 CO 0.06 0.28 1.09 -0.51 -0.85 0.00 0.00 174.74 174.81 3bwg s LEU 207 N -1.97 2.64 0.63 0.89 1.43 0.15 0.11 118.68 122.57 3bwg s LEU 207 Ca 0.11 1.45 0.41 0.00 -1.03 0.00 0.00 54.13 55.08 3bwg s LEU 207 Cb -0.10 -4.07 2.07 0.00 0.03 0.00 0.00 46.19 44.12 3bwg s LEU 207 CO 0.05 -2.06 2.24 0.71 0.23 0.00 0.00 176.35 177.53 3bwg h THR 208 N -1.15 0.00 0.00 5.49 1.35 -1.62 0.20 112.91 117.18 3bwg h THR 208 Ca -0.47 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3bwg h THR 208 Cb 1.26 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3bwg h THR 208 CO 0.57 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.38 3bwg n ASN 209 N -3.08 0.00 0.00 5.36 6.94 -1.26 -4.90 115.26 118.31 3bwg n ASN 209 Ca -0.02 -0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 3bwg n ASN 209 Cb 0.15 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3bwg n ASN 209 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bwg n GLY 210 N 0.58 2.10 3.70 4.83 0.00 0.71 -5.06 105.19 112.05 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 -0.64 4.24 0.59 1.61 0.74 -1.25 -4.69 119.66 120.25 3bwg s GLN 211 Ca 0.00 2.19 -0.19 0.00 0.05 0.00 0.00 55.36 57.41 3bwg s GLN 211 Cb 0.00 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 3bwg s GLN 211 CO 0.00 -0.63 1.25 -2.14 -0.55 0.00 0.00 175.29 173.21 3bwg s PRO 212 N 2.20 2.96 0.00 1.67 0.02 -1.26 -0.67 135.00 139.92 3bwg s PRO 212 Ca 0.69 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3bwg s PRO 212 Cb -0.37 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.16 3bwg s PRO 212 CO 0.30 -1.25 0.00 1.97 -0.33 0.00 0.00 177.00 177.70 3bwg n PHE 213 N -1.50 0.00 -3.68 6.54 1.16 0.17 -4.84 117.46 115.31 3bwg n PHE 213 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.55 3bwg n PHE 213 Cb 0.48 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.20 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 -0.37 0.59 -0.15 5.98 2.15 -1.19 -2.42 116.67 121.26 3bwg s ASP 214 Ca 0.00 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.34 3bwg s ASP 214 Cb 0.00 0.33 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 3bwg s ASP 214 CO 0.00 -0.23 -0.12 -0.47 -0.17 0.00 0.00 175.17 174.17 3bwg s TYR 215 N 2.17 2.83 -0.04 -5.34 5.04 -0.47 -0.75 117.35 120.78 3bwg s TYR 215 Ca 0.01 -0.76 0.02 0.00 -2.44 0.00 0.00 57.07 53.90 3bwg s TYR 215 Cb -0.12 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.32 3bwg s TYR 215 CO -0.06 -0.30 -0.08 0.45 -1.34 0.00 0.00 175.55 174.22 3bwg s SER 216 N 0.57 1.15 -0.20 4.32 0.15 -0.08 -0.66 113.70 118.95 3bwg s SER 216 Ca -0.08 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.41 3bwg s SER 216 Cb -0.16 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 3bwg s SER 216 CO 0.03 0.01 -0.18 -0.54 1.20 0.00 0.00 173.24 173.77 3bwg s LYS 217 N 0.53 2.85 -0.04 5.44 1.02 0.68 -0.52 119.74 129.69 3bwg s LYS 217 Ca -0.08 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 54.99 3bwg s LYS 217 Cb -0.12 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 3bwg s LYS 217 CO 0.01 -0.28 -0.03 0.42 -0.92 0.00 0.00 175.35 174.55 3bwg s ILE 218 N 1.26 0.45 -0.20 2.17 1.01 0.12 -1.11 121.20 124.88 3bwg s ILE 218 Ca 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3bwg s ILE 218 Cb -0.14 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 3bwg s ILE 218 CO -0.11 0.21 -0.07 -0.44 0.00 0.00 0.00 174.94 174.53 3bwg s SER 219 N 0.97 4.19 0.14 3.58 0.01 -0.11 -0.66 113.70 121.80 3bwg s SER 219 Ca -0.10 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 56.71 3bwg s SER 219 Cb -0.14 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.33 3bwg s SER 219 CO -0.00 0.01 0.37 -0.31 0.41 0.00 0.00 173.24 173.72 3bwg s TYR 220 N 1.28 3.48 -0.35 2.43 2.02 -0.54 -0.80 117.35 124.87 3bwg s TYR 220 Ca 0.03 0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 57.00 3bwg s TYR 220 Cb -0.14 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 3bwg s TYR 220 CO -0.03 0.44 1.43 1.21 -1.57 0.00 0.00 175.55 177.04 3bwg s ASN 221 N -2.40 6.40 0.50 2.29 3.84 0.45 -4.27 114.94 121.75 3bwg s ASN 221 Ca 0.40 1.06 0.33 0.00 0.21 0.00 0.00 52.86 54.86 3bwg s ASN 221 Cb -0.12 -2.54 1.59 0.00 -0.55 0.00 0.00 41.25 39.63 3bwg s ASN 221 CO 0.24 -1.34 2.00 0.10 -2.79 0.00 0.00 177.10 175.32 3bwg h TYR 222 N 10.47 0.00 0.00 0.43 -0.00 -1.88 -1.79 116.97 124.20 3bwg h TYR 222 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.45 3bwg h TYR 222 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 3bwg h TYR 222 CO 0.94 0.00 -0.46 0.93 -0.00 0.00 0.00 178.16 179.56 3bwg h GLU 223 N 0.00 0.00 0.00 0.10 5.08 -1.93 -3.38 114.58 114.45 3bwg h GLU 223 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bwg h GLU 223 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3bwg h GLU 223 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 3bwg n GLN 224 N -2.22 0.93 -3.99 2.33 1.13 -0.71 -5.04 117.38 109.81 3bwg n GLN 224 Ca 0.04 -0.84 -0.09 0.00 -1.94 0.00 0.00 57.00 54.16 3bwg n GLN 224 Cb 0.45 -0.84 -0.11 0.00 0.11 0.00 0.00 30.24 29.84 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 -0.40 0.30 -0.18 1.08 1.04 -0.95 -4.94 113.70 109.63 3bwg s SER 225 Ca 0.00 -0.49 -0.28 0.00 0.48 0.00 0.00 55.95 55.66 3bwg s SER 225 Cb 0.00 0.09 0.10 0.00 0.10 0.00 0.00 66.02 66.31 3bwg s SER 225 CO 0.00 -0.28 0.86 0.00 0.98 0.00 0.00 173.24 174.80 3bwg s GLN 226 N -1.44 0.75 0.11 4.02 -2.07 -1.26 -4.83 119.66 114.95 3bwg s GLN 226 Ca -0.15 0.47 0.07 0.00 -1.82 0.00 0.00 55.36 53.94 3bwg s GLN 226 Cb -0.10 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 3bwg s GLN 226 CO -0.01 -0.18 -0.18 -0.06 -1.32 0.00 0.00 175.29 173.54 3bwg s PHE 227 N -0.48 1.64 -0.02 9.60 0.08 -1.26 -0.17 117.98 127.38 3bwg s PHE 227 Ca -0.03 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.63 3bwg s PHE 227 Cb -0.02 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 3bwg s PHE 227 CO 0.02 0.20 -0.21 0.54 -0.10 0.00 0.00 175.22 175.67 3bwg s VAL 228 N -1.53 1.68 0.02 -0.44 0.11 -0.45 -4.81 120.40 114.98 3bwg s VAL 228 Ca 0.08 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 3bwg s VAL 228 Cb -0.08 -1.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.36 3bwg s VAL 228 CO 0.04 0.48 -0.06 0.54 -3.33 0.00 0.00 175.10 172.77 3bwg s VAL 229 N -0.48 0.41 0.01 2.04 0.11 -1.26 -1.06 120.40 120.17 3bwg s VAL 229 Ca 0.08 -0.61 0.08 0.00 -2.93 0.00 0.00 61.98 58.60 3bwg s VAL 229 Cb -0.08 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3bwg s VAL 229 CO -0.01 -0.14 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.29 3bwg s GLN 230 N -0.81 2.06 0.17 1.54 -0.21 -1.26 -5.08 119.66 116.07 3bwg s GLN 230 Ca -0.04 -0.96 0.11 0.00 0.02 0.00 0.00 55.36 54.48 3bwg s GLN 230 Cb -0.06 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 3bwg s GLN 230 CO 0.00 0.55 -0.24 0.00 -2.12 0.00 0.00 175.29 173.48 3bwg s ALA 231 N -0.76 2.52 0.50 6.09 0.00 -1.26 -5.02 121.76 123.84 3bwg s ALA 231 Ca 0.12 -1.58 0.09 0.00 0.00 0.00 0.00 51.96 50.58 3bwg s ALA 231 Cb -0.10 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.69 3bwg s ALA 231 CO 0.01 0.47 0.65 -0.80 0.00 0.00 0.00 175.76 176.09 3bwg s ASN 232 N -2.50 5.29 0.00 0.00 0.01 -1.26 -5.05 114.94 111.42 3bwg s ASN 232 Ca 0.19 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 3bwg s ASN 232 Cb -0.09 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.44 3bwg s ASN 232 CO 0.09 -1.05 0.28 -1.20 -1.51 0.00 0.00 177.10 173.71