#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8r h LEU 8 N 0.00 0.73 -0.61 0.99 5.85 -1.85 -1.36 115.31 119.06 3i8r h LEU 8 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3i8r h LEU 8 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3i8r h LEU 8 CO 0.00 0.46 0.39 0.00 -0.34 0.00 0.00 178.44 178.94 3i8r h ALA 9 N 1.41 0.79 -0.66 1.25 0.00 -1.84 0.12 119.26 120.33 3i8r h ALA 9 Ca 0.36 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3i8r h ALA 9 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3i8r h ALA 9 CO -0.20 0.14 0.11 0.28 0.00 0.00 0.00 179.25 179.59 3i8r h VAL 10 N 0.77 1.26 -0.10 0.00 2.07 -1.88 -2.19 116.25 116.19 3i8r h VAL 10 Ca 0.24 -1.03 -0.18 0.00 0.82 0.00 0.00 66.70 66.55 3i8r h VAL 10 Cb -0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3i8r h VAL 10 CO -0.09 0.39 -0.68 -0.08 0.02 0.00 0.00 177.57 177.13 3i8r h GLU 11 N 1.02 0.43 -0.32 1.57 4.81 -0.58 -0.47 114.58 121.04 3i8r h GLU 11 Ca 0.20 -0.33 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3i8r h GLU 11 Cb 0.44 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 3i8r h GLU 11 CO 0.01 0.96 0.01 -0.07 -0.73 0.00 0.00 179.01 179.19 3i8r h LEU 12 N 0.30 -0.11 -0.09 1.64 3.38 -0.73 0.53 115.31 120.23 3i8r h LEU 12 Ca -0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i8r h LEU 12 Cb 1.25 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3i8r h LEU 12 CO 0.12 -0.02 -0.01 0.50 0.09 0.00 0.00 178.44 179.12 3i8r h LYS 13 N 0.10 0.16 -0.89 1.13 3.64 -1.09 -2.17 116.57 117.46 3i8r h LYS 13 Ca 0.15 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3i8r h LYS 13 Cb 0.20 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3i8r h LYS 13 CO -0.25 0.45 0.57 1.96 -2.27 0.00 0.00 179.45 179.91 3i8r h GLN 14 N -0.14 1.07 0.00 1.90 4.20 -1.06 -1.17 115.11 119.91 3i8r h GLN 14 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3i8r h GLN 14 Cb 0.38 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3i8r h GLN 14 CO 0.01 0.71 0.00 0.45 -0.67 0.00 0.00 178.83 179.32 3i8r n SER 15 N -4.54 0.44 -0.14 1.46 2.88 0.17 -2.99 113.62 110.90 3i8r n SER 15 Ca 0.12 0.56 0.02 0.00 -1.33 0.00 0.00 58.87 58.24 3i8r n SER 15 Cb 0.11 -0.67 0.02 0.00 -0.75 0.00 0.00 64.21 62.91 3i8r n SER 15 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3i8r n THR 16 N -1.93 0.14 -0.03 2.46 -2.24 -0.85 -4.71 114.28 107.12 3i8r n THR 16 Ca 0.05 -0.57 0.04 0.00 -2.27 0.00 0.00 64.05 61.30 3i8r n THR 16 Cb 0.32 0.99 0.41 0.00 -2.10 0.00 0.00 70.33 69.95 3i8r n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8r h ALA 17 N 0.65 1.69 -0.11 6.98 0.00 -1.11 -0.37 119.26 126.98 3i8r h ALA 17 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3i8r h ALA 17 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i8r h ALA 17 CO 0.00 0.29 -0.22 0.37 0.00 0.00 0.00 179.25 179.69 3i8r h GLN 18 N 0.61 0.34 -0.90 0.00 4.15 -1.84 -1.38 115.11 116.09 3i8r h GLN 18 Ca 0.17 -0.22 0.07 0.00 0.77 0.00 0.00 58.65 59.44 3i8r h GLN 18 Cb -0.06 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 3i8r h GLN 18 CO -0.04 0.81 0.59 0.00 -1.93 0.00 0.00 178.83 178.26 3i8r h ALA 19 N 0.53 1.54 -0.41 3.38 0.00 -1.80 -1.20 119.26 121.30 3i8r h ALA 19 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i8r h ALA 19 Cb 0.80 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i8r h ALA 19 CO 0.05 0.31 0.15 1.25 0.00 0.00 0.00 179.25 181.00 3i8r h HIS 20 N 0.99 0.64 -0.86 0.00 -0.00 -0.75 -0.91 115.15 114.26 3i8r h HIS 20 Ca 0.40 -0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.78 3i8r h HIS 20 Cb 0.25 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.41 3i8r h HIS 20 CO -0.00 0.58 0.53 0.93 -0.00 0.00 0.00 177.93 179.97 3i8r h GLU 21 N 0.52 0.93 -0.26 5.26 4.39 -0.99 -1.07 114.58 123.36 3i8r h GLU 21 Ca 0.13 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 3i8r h GLU 21 Cb 0.23 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3i8r h GLU 21 CO -0.01 0.62 -0.14 0.87 -1.16 0.00 0.00 179.01 179.19 3i8r h LYS 22 N 0.96 0.44 -0.38 2.33 1.57 -0.87 -2.76 116.57 117.85 3i8r h LYS 22 Ca 0.38 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3i8r h LYS 22 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3i8r h LYS 22 CO -0.18 0.57 -0.32 0.00 -0.57 0.00 0.00 179.45 178.95 3i8r h ALA 23 N 1.46 0.70 -0.63 3.86 0.00 -0.19 -2.11 119.26 122.35 3i8r h ALA 23 Ca 0.08 -0.42 0.17 0.00 0.00 0.00 0.00 54.91 54.74 3i8r h ALA 23 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3i8r h ALA 23 CO 0.03 0.66 0.45 0.93 0.00 0.00 0.00 179.25 181.32 3i8r h GLU 24 N 0.72 0.05 -0.44 0.00 5.08 -0.94 -2.41 114.58 116.64 3i8r h GLU 24 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i8r h GLU 24 Cb 0.88 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3i8r h GLU 24 CO 0.08 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.85 3i8r n HIS 25 N -4.37 0.59 -1.71 4.33 8.25 -0.83 -4.28 115.22 117.19 3i8r n HIS 25 Ca 0.12 -0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 56.72 3i8r n HIS 25 Cb 0.67 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 3i8r n HIS 25 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i8r n SER 26 N 0.96 2.99 -0.19 0.41 2.88 -0.91 -4.83 113.62 114.94 3i8r n SER 26 Ca 0.16 1.19 -0.07 0.00 -1.33 0.00 0.00 58.87 58.83 3i8r n SER 26 Cb 0.49 -1.50 0.03 0.00 -0.75 0.00 0.00 64.21 62.48 3i8r n SER 26 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i8r h THR 27 N 2.76 1.14 0.45 2.46 2.02 -1.92 0.05 112.91 119.88 3i8r h THR 27 Ca -0.47 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 3i8r h THR 27 Cb 1.27 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3i8r h THR 27 CO 0.67 0.14 -0.22 0.15 0.37 0.00 0.00 175.52 176.62 3i8r h PHE 28 N 0.74 -0.57 -0.20 3.16 3.57 -1.91 -0.04 116.94 121.71 3i8r h PHE 28 Ca 0.20 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 3i8r h PHE 28 Cb -0.08 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3i8r h PHE 28 CO -0.04 -0.35 -0.48 1.98 -2.23 0.00 0.00 178.31 177.19 3i8r h MET 29 N -0.61 0.52 0.22 1.11 4.05 -1.86 -0.10 114.93 118.26 3i8r h MET 29 Ca -0.06 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.05 3i8r h MET 29 Cb 0.47 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3i8r h MET 29 CO 0.10 0.89 -0.10 1.03 0.23 0.00 0.00 176.91 179.05 3i8r h SER 30 N 0.41 -0.25 -0.74 1.39 0.87 -0.94 -0.15 113.55 114.15 3i8r h SER 30 Ca 0.02 -0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.63 3i8r h SER 30 Cb 1.00 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.95 3i8r h SER 30 CO 0.09 -0.10 0.37 0.44 -0.53 0.00 0.00 176.83 177.09 3i8r h ASP 31 N -0.38 0.47 -0.01 6.23 3.32 -0.89 -1.38 116.42 123.79 3i8r h ASP 31 Ca -0.03 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3i8r h ASP 31 Cb 0.29 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3i8r h ASP 31 CO 0.05 0.26 -0.04 0.25 -1.72 0.00 0.00 179.24 178.04 3i8r h LEU 32 N 0.61 -0.12 -0.72 1.55 5.85 -0.72 -1.06 115.31 120.70 3i8r h LEU 32 Ca 0.37 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.11 3i8r h LEU 32 Cb 0.41 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3i8r h LEU 32 CO -0.28 -0.06 0.00 -0.07 -0.34 0.00 0.00 178.44 177.69 3i8r h LEU 33 N -0.06 0.00 -0.64 2.25 3.38 -0.84 -2.74 115.31 116.66 3i8r h LEU 33 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i8r h LEU 33 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i8r h LEU 33 CO -0.05 0.00 -0.02 0.29 0.09 0.00 0.00 178.44 178.75 3i8r n LYS 34 N -3.05 1.38 -0.56 1.13 5.02 -0.54 -4.93 118.16 116.61 3i8r n LYS 34 Ca 0.02 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 3i8r n LYS 34 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3i8r n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8r n GLY 35 N 1.15 0.73 0.07 0.72 0.00 -1.03 -4.98 105.19 101.85 3i8r n GLY 35 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3i8r n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8r n ARG 36 N -2.43 0.17 0.00 1.61 1.74 -0.42 -4.79 116.66 112.54 3i8r n ARG 36 Ca 0.00 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3i8r n ARG 36 Cb 0.00 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 3i8r n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3i8r n LEU 37 N -2.01 0.00 0.00 0.55 4.77 -1.23 -4.99 117.00 114.09 3i8r n LEU 37 Ca 0.06 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3i8r n LEU 37 Cb 0.38 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 3i8r n LEU 37 CO 0.28 0.00 0.72 0.61 -1.33 0.00 0.00 177.39 177.66 3i8r n GLY 38 N 5.00 0.24 0.25 -0.72 0.00 -1.26 -5.01 105.19 103.69 3i8r n GLY 38 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.14 3i8r n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i8r h VAL 39 N 1.60 1.10 -0.47 1.61 3.04 -1.97 -2.07 116.25 119.09 3i8r h VAL 39 Ca -0.12 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 3i8r h VAL 39 Cb 0.71 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3i8r h VAL 39 CO 0.18 0.13 0.26 0.00 -1.01 0.00 0.00 177.57 177.13 3i8r h ALA 40 N 1.82 0.60 -0.16 3.17 0.00 -1.97 0.35 119.26 123.08 3i8r h ALA 40 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3i8r h ALA 40 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i8r h ALA 40 CO 0.01 0.12 -0.55 0.93 0.00 0.00 0.00 179.25 179.76 3i8r h GLU 41 N 0.62 0.47 -0.63 0.00 3.07 -1.79 -0.65 114.58 115.68 3i8r h GLU 41 Ca 0.17 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3i8r h GLU 41 Cb 0.05 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3i8r h GLU 41 CO -0.03 0.90 0.35 0.35 -1.40 0.00 0.00 179.01 179.18 3i8r h PHE 42 N 0.36 0.84 -0.43 4.33 3.57 -1.17 -1.52 116.94 122.92 3i8r h PHE 42 Ca 0.01 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 3i8r h PHE 42 Cb 1.08 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3i8r h PHE 42 CO 0.04 0.58 -0.26 1.15 -2.23 0.00 0.00 178.31 177.59 3i8r h THR 43 N 0.87 1.27 -0.58 4.41 2.02 -0.49 -1.33 112.91 119.08 3i8r h THR 43 Ca 0.22 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 66.00 3i8r h THR 43 Cb 0.01 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3i8r h THR 43 CO -0.04 0.48 0.38 0.03 0.37 0.00 0.00 175.52 176.74 3i8r h ARG 44 N 0.77 0.75 -0.40 6.66 2.47 -0.84 0.69 114.38 124.49 3i8r h ARG 44 Ca 0.09 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3i8r h ARG 44 Cb 0.81 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 3i8r h ARG 44 CO 0.07 0.50 0.26 1.25 0.56 0.00 0.00 179.97 182.61 3i8r h LEU 45 N 0.78 0.44 -1.30 3.04 5.85 -0.90 -2.01 115.31 121.20 3i8r h LEU 45 Ca 0.21 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3i8r h LEU 45 Cb -0.08 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3i8r h LEU 45 CO -0.05 0.32 -0.05 1.56 -0.34 0.00 0.00 178.44 179.88 3i8r h GLN 46 N 0.53 0.41 -0.34 1.25 1.08 -0.54 0.14 115.11 117.64 3i8r h GLN 46 Ca 0.15 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 3i8r h GLN 46 Cb -0.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3i8r h GLN 46 CO -0.04 0.48 -0.11 0.93 -0.95 0.00 0.00 178.83 179.14 3i8r h GLU 47 N 0.39 0.67 -0.45 1.46 5.08 -0.68 0.50 114.58 121.56 3i8r h GLU 47 Ca 0.08 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3i8r h GLU 47 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3i8r h GLU 47 CO 0.01 0.85 0.15 1.96 -1.00 0.00 0.00 179.01 180.98 3i8r h GLN 48 N 0.45 0.69 -0.37 2.33 1.08 -0.87 -2.44 115.11 115.99 3i8r h GLN 48 Ca 0.08 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3i8r h GLN 48 Cb 0.62 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3i8r h GLN 48 CO 0.04 0.66 0.21 0.00 -0.95 0.00 0.00 178.83 178.79 3i8r h ALA 49 N 1.00 1.67 -0.62 3.87 0.00 -0.81 -1.46 119.26 122.92 3i8r h ALA 49 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3i8r h ALA 49 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i8r h ALA 49 CO -0.01 0.28 0.20 2.35 0.00 0.00 0.00 179.25 182.07 3i8r h TRP 50 N 0.51 0.95 0.06 0.00 7.01 -0.46 0.21 115.95 124.23 3i8r h TRP 50 Ca 0.13 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 3i8r h TRP 50 Cb 0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 3i8r h TRP 50 CO 0.00 0.76 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.31 3i8r h LEU 51 N 0.90 -0.07 -0.27 0.65 3.38 -0.85 -0.87 115.31 118.19 3i8r h LEU 51 Ca 0.20 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 3i8r h LEU 51 Cb 0.25 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3i8r h LEU 51 CO -0.01 -0.02 -0.89 2.19 0.09 0.00 0.00 178.44 179.80 3i8r h PHE 52 N -0.11 0.17 -0.39 1.13 -5.15 -1.03 -2.82 116.94 108.73 3i8r h PHE 52 Ca -0.01 -0.10 -0.08 0.00 -0.20 0.00 0.00 57.97 57.59 3i8r h PHE 52 Cb 0.09 -0.02 -0.02 0.00 0.22 0.00 0.00 35.95 36.22 3i8r h PHE 52 CO -0.07 0.93 -0.09 1.88 -2.00 0.00 0.00 178.31 178.97 3i8r h TYR 53 N 0.06 0.73 -0.27 6.09 0.05 -0.58 0.18 116.97 123.22 3i8r h TYR 53 Ca -0.03 -0.12 0.06 0.00 0.05 0.00 0.00 58.73 58.69 3i8r h TYR 53 Cb 1.53 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 39.03 3i8r h TYR 53 CO 0.02 0.74 -0.08 1.15 -1.05 0.00 0.00 178.16 178.94 3i8r h THR 54 N 0.62 0.71 -0.43 -2.88 2.02 -1.11 -0.16 112.91 111.67 3i8r h THR 54 Ca 0.11 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 3i8r h THR 54 Cb 0.52 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3i8r h THR 54 CO 0.03 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.80 3i8r h ALA 55 N 1.25 0.60 -0.72 6.16 0.00 -1.25 -2.36 119.26 122.94 3i8r h ALA 55 Ca 0.13 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3i8r h ALA 55 Cb 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3i8r h ALA 55 CO -0.29 0.49 0.47 1.25 0.00 0.00 0.00 179.25 181.18 3i8r h LEU 56 N 0.67 0.73 0.00 0.00 5.85 -0.40 -2.24 115.31 119.92 3i8r h LEU 56 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i8r h LEU 56 Cb 0.65 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3i8r h LEU 56 CO 0.04 0.49 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.27 3i8r h GLU 57 N 0.84 0.00 -0.28 1.25 5.08 -0.81 0.21 114.58 120.87 3i8r h GLU 57 Ca 0.29 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.48 3i8r h GLU 57 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3i8r h GLU 57 CO -0.09 0.00 -0.50 1.96 -1.00 0.00 0.00 179.01 179.38 3i8r h GLN 58 N 0.00 0.84 -0.40 2.33 4.20 -0.91 -0.51 115.11 120.65 3i8r h GLN 58 Ca 0.00 -0.53 -0.07 0.00 0.06 0.00 0.00 58.65 58.12 3i8r h GLN 58 Cb 0.92 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3i8r h GLN 58 CO 0.00 1.16 -0.01 0.00 -0.67 0.00 0.00 178.83 179.31 3i8r h ALA 59 N 0.67 0.54 -0.43 3.87 0.00 -0.75 -1.51 119.26 121.66 3i8r h ALA 59 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3i8r h ALA 59 Cb 1.11 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3i8r h ALA 59 CO 0.11 0.33 -0.02 0.28 0.00 0.00 0.00 179.25 179.96 3i8r h VAL 60 N 0.55 0.65 -0.95 0.00 2.07 -0.60 -0.77 116.25 117.20 3i8r h VAL 60 Ca 0.11 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3i8r h VAL 60 Cb 0.49 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3i8r h VAL 60 CO 0.02 0.02 0.62 0.44 0.02 0.00 0.00 177.57 178.69 3i8r h ASP 61 N 0.09 1.03 -0.22 0.57 3.32 -0.79 0.34 116.42 120.76 3i8r h ASP 61 Ca 0.21 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3i8r h ASP 61 Cb 0.31 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3i8r h ASP 61 CO -0.37 0.71 0.05 0.00 -1.72 0.00 0.00 179.24 177.91 3i8r h ALA 62 N 1.38 0.29 -0.53 3.45 0.00 -0.90 -0.95 119.26 122.00 3i8r h ALA 62 Ca 0.37 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3i8r h ALA 62 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i8r h ALA 62 CO -0.12 -0.05 -0.13 0.28 0.00 0.00 0.00 179.25 179.24 3i8r h VAL 63 N 0.17 1.27 -0.52 0.00 2.07 -0.85 -1.86 116.25 116.52 3i8r h VAL 63 Ca 0.07 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3i8r h VAL 63 Cb 0.29 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3i8r h VAL 63 CO 0.00 0.45 0.31 -0.09 0.02 0.00 0.00 177.57 178.26 3i8r h ARG 64 N 0.91 0.60 0.00 1.57 2.43 -0.88 -1.90 114.38 117.09 3i8r h ARG 64 Ca 0.14 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3i8r h ARG 64 Cb 0.70 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3i8r h ARG 64 CO 0.05 0.39 -0.25 0.00 -1.51 0.00 0.00 179.97 178.65 3i8r h ALA 65 N 1.23 1.49 0.00 2.80 0.00 -0.84 -2.27 119.26 121.68 3i8r h ALA 65 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i8r h ALA 65 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i8r h ALA 65 CO -0.10 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 3i8r n SER 66 N -4.11 0.66 0.00 0.00 3.41 -0.73 -4.90 113.62 107.96 3i8r n SER 66 Ca -0.02 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3i8r n SER 66 Cb 0.31 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3i8r n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8r n GLY 67 N 0.15 0.86 3.69 5.00 0.00 -0.85 -5.08 105.19 108.95 3i8r n GLY 67 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3i8r n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i8r s PHE 68 N -2.00 3.35 -1.61 1.61 5.36 -1.17 -4.58 117.98 118.94 3i8r s PHE 68 Ca 0.00 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 3i8r s PHE 68 Cb 0.00 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 3i8r s PHE 68 CO 0.00 0.18 0.17 0.00 -1.46 0.00 0.00 175.22 174.11 3i8r n ALA 69 N 3.80 -0.75 -0.21 11.12 0.00 -1.26 -4.39 120.51 128.83 3i8r n ALA 69 Ca -0.16 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i8r n ALA 69 Cb 0.52 -2.54 0.11 0.00 0.00 0.00 0.00 19.45 17.54 3i8r n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i8r h GLU 70 N -0.38 0.44 0.00 0.00 5.08 -1.89 -1.57 114.58 116.26 3i8r h GLU 70 Ca -0.47 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 3i8r h GLU 70 Cb 1.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3i8r h GLU 70 CO 0.55 0.29 -0.36 0.66 -1.00 0.00 0.00 179.01 179.15 3i8r h SER 71 N 0.45 0.00 -0.51 1.42 4.64 -1.98 -2.27 113.55 115.31 3i8r h SER 71 Ca 0.30 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.55 3i8r h SER 71 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3i8r h SER 71 CO -0.28 0.36 0.05 0.25 -0.87 0.00 0.00 176.83 176.34 3i8r h LEU 72 N 0.00 0.83 -5.62 5.97 5.85 -1.69 -3.36 115.31 117.30 3i8r h LEU 72 Ca -0.00 -0.28 -0.71 0.00 0.84 0.00 0.00 57.88 57.72 3i8r h LEU 72 Cb 0.75 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3i8r h LEU 72 CO 0.05 0.91 3.04 0.18 -0.34 0.00 0.00 178.44 182.27 3i8r n LEU 73 N -4.37 7.84 -4.66 2.25 4.77 -0.85 -4.94 117.00 117.04 3i8r n LEU 73 Ca 0.01 -4.50 -0.42 0.00 -0.03 0.00 0.00 56.01 51.07 3i8r n LEU 73 Cb 0.28 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.83 3i8r n LEU 73 CO 0.41 1.75 1.31 -0.62 -1.33 0.00 0.00 177.39 178.91 3i8r s ASP 74 N 1.71 6.72 0.59 -1.43 2.15 -1.26 -4.88 116.67 120.28 3i8r s ASP 74 Ca 0.56 2.14 0.29 0.00 0.43 0.00 0.00 52.55 55.97 3i8r s ASP 74 Cb 0.16 -2.54 1.70 0.00 -0.30 0.00 0.00 42.92 41.94 3i8r s ASP 74 CO -0.06 -0.89 2.15 1.55 -0.17 0.00 0.00 175.17 177.75 3i8r h PRO 75 N 9.18 0.00 -0.49 4.34 0.13 -1.93 -1.30 132.00 141.94 3i8r h PRO 75 Ca -0.37 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.90 3i8r h PRO 75 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3i8r h PRO 75 CO 0.95 0.00 0.52 0.00 -0.23 0.00 0.00 178.00 179.25 3i8r h ALA 76 N 1.84 2.22 0.00 -0.56 0.00 -1.96 -1.51 119.26 119.29 3i8r h ALA 76 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i8r h ALA 76 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i8r h ALA 76 CO -0.00 -0.78 0.00 -0.07 0.00 0.00 0.00 179.25 178.40 3i8r h LEU 77 N 0.00 0.00 -9.32 0.00 3.38 -1.61 -3.46 115.31 104.30 3i8r h LEU 77 Ca 0.23 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.55 3i8r h LEU 77 Cb 1.28 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.07 3i8r h LEU 77 CO -0.00 0.00 0.65 0.59 0.09 0.00 0.00 178.44 179.77 3i8r n ASN 78 N -2.93 2.28 -0.02 -0.43 5.03 -0.57 -4.90 115.26 113.71 3i8r n ASN 78 Ca 0.01 1.09 0.04 0.00 0.87 0.00 0.00 54.58 56.59 3i8r n ASN 78 Cb 0.28 -1.26 -0.11 0.00 -1.02 0.00 0.00 39.78 37.67 3i8r n ASN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i8r n ARG 79 N 3.42 0.78 -0.22 3.52 5.12 -1.26 -4.75 116.66 123.27 3i8r n ARG 79 Ca 0.19 -0.10 -0.07 0.00 -1.93 0.00 0.00 57.85 55.94 3i8r n ARG 79 Cb 0.22 -1.35 0.03 0.00 -1.16 0.00 0.00 32.46 30.20 3i8r n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8r h ALA 80 N 1.19 0.79 -0.04 7.54 0.00 -1.90 0.20 119.26 127.03 3i8r h ALA 80 Ca -0.09 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3i8r h ALA 80 Cb 0.97 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i8r h ALA 80 CO 0.01 0.33 -0.82 0.93 0.00 0.00 0.00 179.25 179.69 3i8r h GLU 81 N 0.83 0.36 -0.52 0.00 3.07 -1.99 -0.82 114.58 115.52 3i8r h GLU 81 Ca 0.21 -0.34 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 3i8r h GLU 81 Cb 0.08 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3i8r h GLU 81 CO -0.03 1.00 0.14 0.28 -1.40 0.00 0.00 179.01 179.00 3i8r h VAL 82 N 0.23 1.24 -0.91 3.13 2.07 -1.80 -1.74 116.25 118.47 3i8r h VAL 82 Ca -0.05 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 66.73 3i8r h VAL 82 Cb 1.42 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 3i8r h VAL 82 CO 0.14 0.30 0.56 -0.07 0.02 0.00 0.00 177.57 178.52 3i8r h LEU 83 N 0.71 0.86 -0.97 2.57 3.38 -0.81 -0.09 115.31 120.97 3i8r h LEU 83 Ca 0.16 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3i8r h LEU 83 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i8r h LEU 83 CO -0.00 0.52 0.02 0.00 0.09 0.00 0.00 178.44 179.07 3i8r h ALA 84 N 1.45 1.15 -0.67 1.53 0.00 -0.53 0.50 119.26 122.68 3i8r h ALA 84 Ca 0.41 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i8r h ALA 84 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3i8r h ALA 84 CO -0.20 0.55 0.26 0.00 0.00 0.00 0.00 179.25 179.86 3i8r h ARG 85 N 0.72 1.00 -0.84 0.00 3.08 -0.86 0.48 114.38 117.96 3i8r h ARG 85 Ca 0.14 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3i8r h ARG 85 Cb 0.42 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3i8r h ARG 85 CO 0.02 0.83 0.53 -0.44 -1.07 0.00 0.00 179.97 179.84 3i8r h ASP 86 N 0.94 0.99 0.31 7.04 3.45 -0.42 -2.74 116.42 126.00 3i8r h ASP 86 Ca 0.22 -0.05 -0.15 0.00 0.43 0.00 0.00 57.03 57.49 3i8r h ASP 86 Cb 0.21 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3i8r h ASP 86 CO -0.02 0.74 -0.59 -0.07 -1.57 0.00 0.00 179.24 177.74 3i8r h LEU 87 N 1.15 0.32 -0.90 1.55 3.38 -0.42 0.31 115.31 120.69 3i8r h LEU 87 Ca 0.30 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3i8r h LEU 87 Cb -0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3i8r h LEU 87 CO -0.06 0.83 0.57 0.44 0.09 0.00 0.00 178.44 180.31 3i8r h ASP 88 N 0.21 0.89 0.13 -0.43 3.32 -0.68 -1.36 116.42 118.49 3i8r h ASP 88 Ca -0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i8r h ASP 88 Cb 1.09 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3i8r h ASP 88 CO 0.09 0.56 -0.06 0.11 -1.72 0.00 0.00 179.24 178.22 3i8r h LYS 89 N 1.02 -0.16 -0.91 3.56 1.57 -1.11 -1.16 116.57 119.38 3i8r h LYS 89 Ca 0.40 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.22 3i8r h LYS 89 Cb 0.20 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3i8r h LYS 89 CO -0.18 0.26 0.59 -0.07 -0.57 0.00 0.00 179.45 179.48 3i8r h LEU 90 N -0.65 0.99 0.00 2.94 3.38 -0.86 -2.98 115.31 118.12 3i8r h LEU 90 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i8r h LEU 90 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i8r h LEU 90 CO 0.03 0.68 -0.89 0.78 0.09 0.00 0.00 178.44 179.12 3i8r h ASN 91 N 1.15 0.00 0.00 -0.43 2.35 -1.35 -3.48 115.58 113.82 3i8r h ASN 91 Ca 0.36 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3i8r h ASN 91 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3i8r h ASN 91 CO -0.12 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.31 3i8r n GLY 92 N 1.23 0.49 2.43 2.83 0.00 -0.48 -4.96 105.19 106.73 3i8r n GLY 92 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 3i8r n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8r n SER 93 N 0.00 -1.06 -0.63 1.61 3.41 -0.94 -4.97 113.62 111.05 3i8r n SER 93 Ca 0.00 -1.53 0.08 0.00 -0.26 0.00 0.00 58.87 57.15 3i8r n SER 93 Cb 0.00 1.72 0.24 0.00 -0.26 0.00 0.00 64.21 65.90 3i8r n SER 93 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i8r n SER 94 N -1.00 1.85 -0.16 4.04 7.64 -1.26 -4.41 113.62 120.31 3i8r n SER 94 Ca -0.01 -1.90 0.13 0.00 1.01 0.00 0.00 58.87 58.11 3i8r n SER 94 Cb 0.37 -0.19 0.47 0.00 -1.01 0.00 0.00 64.21 63.85 3i8r n SER 94 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3i8r h GLU 95 N 2.16 0.47 0.00 1.43 -0.00 -1.95 -2.58 114.58 114.10 3i8r h GLU 95 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.31 3i8r h GLU 95 Cb 0.49 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.13 3i8r h GLU 95 CO 0.00 0.31 -0.11 0.11 -0.00 0.00 0.00 179.01 179.32 3i8r h TRP 96 N 0.48 0.00 -0.91 2.06 5.08 -1.95 -3.04 115.95 117.68 3i8r h TRP 96 Ca 0.35 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.36 3i8r h TRP 96 Cb 0.70 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.81 3i8r h TRP 96 CO -0.00 0.11 0.60 0.00 -1.28 0.00 0.00 178.44 177.86 3i8r h ARG 97 N 0.00 1.12 0.00 0.12 3.08 -1.82 0.17 114.38 117.04 3i8r h ARG 97 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3i8r h ARG 97 Cb 0.20 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3i8r h ARG 97 CO 0.01 0.74 -1.00 -1.13 -1.07 0.00 0.00 179.97 177.52 3i8r n SER 98 N -4.44 0.66 0.06 7.04 3.41 -1.19 -4.12 113.62 115.04 3i8r n SER 98 Ca 0.12 0.05 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 3i8r n SER 98 Cb 0.10 0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 64.53 3i8r n SER 98 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i8r h ARG 99 N 0.00 0.31 -7.02 4.33 2.43 -1.25 -3.47 114.38 109.70 3i8r h ARG 99 Ca 0.00 -0.53 -0.51 0.00 -0.81 0.00 0.00 59.98 58.13 3i8r h ARG 99 Cb 0.84 0.20 0.07 0.00 -0.42 0.00 0.00 29.97 30.65 3i8r h ARG 99 CO 0.00 1.19 0.49 0.96 -1.51 0.00 0.00 179.97 181.10 3i8r s ILE 100 N -2.60 3.02 0.03 1.20 -4.36 0.52 -5.04 121.20 113.98 3i8r s ILE 100 Ca -0.13 0.75 0.04 0.00 -0.26 0.00 0.00 60.65 61.05 3i8r s ILE 100 Cb 0.06 -3.37 -0.02 0.00 1.25 0.00 0.00 42.46 40.39 3i8r s ILE 100 CO 0.85 -0.03 -0.12 0.42 0.24 0.00 0.00 174.94 176.30 3i8r s THR 101 N -1.56 0.90 0.16 8.37 -4.23 -1.26 -5.02 115.64 113.00 3i8r s THR 101 Ca 0.66 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.95 3i8r s THR 101 Cb -0.29 -0.84 -0.09 0.00 1.34 0.00 0.00 72.50 72.62 3i8r s THR 101 CO 0.35 -0.05 1.51 0.00 -0.54 0.00 0.00 174.62 175.89 3i8r s ALA 102 N -0.85 3.72 0.90 3.99 0.00 -1.26 -4.97 121.76 123.29 3i8r s ALA 102 Ca -0.01 1.30 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 3i8r s ALA 102 Cb -0.07 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.58 3i8r s ALA 102 CO 0.01 -0.73 1.12 -1.54 0.00 0.00 0.00 175.76 174.61 3i8r s SER 103 N 1.09 3.21 0.42 0.00 1.04 -1.26 -4.76 113.70 113.44 3i8r s SER 103 Ca 0.68 1.99 0.11 0.00 0.48 0.00 0.00 55.95 59.21 3i8r s SER 103 Cb -0.42 -2.50 0.95 0.00 0.10 0.00 0.00 66.02 64.15 3i8r s SER 103 CO 0.32 -2.88 1.99 -0.65 0.98 0.00 0.00 173.24 172.99 3i8r h PRO 104 N -1.72 0.48 -0.61 4.02 0.11 -1.97 -0.51 132.00 131.80 3i8r h PRO 104 Ca -0.45 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3i8r h PRO 104 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3i8r h PRO 104 CO 0.46 0.32 0.06 0.00 -0.21 0.00 0.00 178.00 178.62 3i8r h ALA 105 N 1.69 0.95 -0.11 -0.75 0.00 -1.91 -2.35 119.26 116.77 3i8r h ALA 105 Ca 0.26 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3i8r h ALA 105 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i8r h ALA 105 CO -0.08 0.65 -0.43 0.28 0.00 0.00 0.00 179.25 179.67 3i8r h VAL 106 N 0.95 1.32 -0.34 0.00 2.07 -1.64 -1.47 116.25 117.15 3i8r h VAL 106 Ca 0.18 -1.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 3i8r h VAL 106 Cb 0.47 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3i8r h VAL 106 CO 0.02 0.47 -0.12 0.40 0.02 0.00 0.00 177.57 178.36 3i8r h ILE 107 N 0.22 1.28 -0.48 4.57 2.04 -0.70 0.23 117.51 124.68 3i8r h ILE 107 Ca 0.02 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 3i8r h ILE 107 Cb 0.86 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3i8r h ILE 107 CO 0.07 0.40 0.23 0.44 0.00 0.00 0.00 178.15 179.28 3i8r h ASP 108 N 0.47 0.63 -0.03 1.72 3.32 -1.23 0.06 116.42 121.36 3i8r h ASP 108 Ca 0.08 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3i8r h ASP 108 Cb 0.64 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3i8r h ASP 108 CO 0.04 0.59 -0.00 0.22 -1.72 0.00 0.00 179.24 178.37 3i8r h TYR 109 N 0.63 0.05 -0.94 4.55 3.20 -0.87 -1.74 116.97 121.86 3i8r h TYR 109 Ca 0.16 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.10 3i8r h TYR 109 Cb 0.12 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 3i8r h TYR 109 CO -0.01 0.36 0.61 0.28 -1.64 0.00 0.00 178.16 177.76 3i8r h VAL 110 N -0.27 1.04 -0.68 1.81 2.07 -0.55 -1.21 116.25 118.47 3i8r h VAL 110 Ca 0.01 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 3i8r h VAL 110 Cb 0.34 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3i8r h VAL 110 CO 0.00 0.19 0.17 0.78 0.02 0.00 0.00 177.57 178.73 3i8r h ASN 111 N 1.05 1.02 -0.49 0.57 2.35 -0.73 0.23 115.58 119.58 3i8r h ASN 111 Ca 0.42 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3i8r h ASN 111 Cb 0.25 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3i8r h ASN 111 CO -0.17 0.98 0.07 -0.09 -1.65 0.00 0.00 177.43 176.57 3i8r h ARG 112 N 1.02 0.81 -0.57 0.81 9.65 -0.73 -1.32 114.38 124.05 3i8r h ARG 112 Ca 0.22 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3i8r h ARG 112 Cb 0.36 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 3i8r h ARG 112 CO 0.00 0.81 0.34 -0.07 2.80 0.00 0.00 179.97 183.86 3i8r h LEU 113 N 0.68 0.67 -0.81 3.80 3.38 -0.83 -0.69 115.31 121.51 3i8r h LEU 113 Ca 0.15 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3i8r h LEU 113 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3i8r h LEU 113 CO 0.01 0.52 -0.53 -0.33 0.09 0.00 0.00 178.44 178.20 3i8r h GLU 114 N 0.78 0.16 -0.49 1.13 5.08 -0.73 0.27 114.58 120.78 3i8r h GLU 114 Ca 0.21 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3i8r h GLU 114 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3i8r h GLU 114 CO -0.04 0.66 -0.05 0.93 -1.00 0.00 0.00 179.01 179.51 3i8r h GLU 115 N 0.13 0.90 -0.66 2.33 5.08 -0.70 -0.53 114.58 121.13 3i8r h GLU 115 Ca 0.00 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3i8r h GLU 115 Cb 0.98 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3i8r h GLU 115 CO 0.08 0.96 0.18 0.82 -1.00 0.00 0.00 179.01 180.05 3i8r h ILE 116 N 0.76 1.26 0.07 3.13 2.04 -0.87 0.28 117.51 124.18 3i8r h ILE 116 Ca 0.13 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3i8r h ILE 116 Cb 0.59 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3i8r h ILE 116 CO 0.04 0.35 -0.34 -0.09 0.00 0.00 0.00 178.15 178.10 3i8r h ARG 117 N 0.97 -0.52 0.00 2.37 2.43 -0.78 0.79 114.38 119.63 3i8r h ARG 117 Ca 0.21 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 3i8r h ARG 117 Cb 0.34 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3i8r h ARG 117 CO -0.00 -0.35 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.25 3i8r h ASP 118 N -0.54 0.00 1.08 -3.80 3.32 -0.96 -1.79 116.42 113.73 3i8r h ASP 118 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3i8r h ASP 118 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i8r h ASP 118 CO -0.23 0.42 -0.19 0.59 -1.72 0.00 0.00 179.24 178.11 3i8r n ASN 119 N -3.51 0.50 -3.76 6.45 3.02 0.08 -4.96 115.26 113.08 3i8r n ASN 119 Ca -0.00 0.35 -0.29 0.00 -0.03 0.00 0.00 54.58 54.62 3i8r n ASN 119 Cb 0.55 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 3i8r n ASN 119 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i8r n VAL 120 N -1.90 -4.91 -2.99 2.41 0.31 0.18 -4.88 118.33 106.55 3i8r n VAL 120 Ca 0.06 -0.78 -0.44 0.00 -0.01 0.00 0.00 64.34 63.16 3i8r n VAL 120 Cb 0.39 -3.80 -0.03 0.00 -0.91 0.00 0.00 33.84 29.50 3i8r n VAL 120 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8r s ASP 121 N -3.83 6.59 0.11 4.52 -1.08 -0.62 -4.91 116.67 117.45 3i8r s ASP 121 Ca 0.29 -2.03 -0.24 0.00 -0.52 0.00 0.00 52.55 50.04 3i8r s ASP 121 Cb -0.10 -2.37 -0.08 0.00 -1.46 0.00 0.00 42.92 38.91 3i8r s ASP 121 CO 0.86 -1.02 1.68 1.23 0.52 0.00 0.00 175.17 178.44 3i8r h GLY 122 N 10.06 -0.20 0.96 2.66 0.00 -1.89 -1.56 103.07 113.10 3i8r h GLY 122 Ca 0.09 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3i8r h GLY 122 CO 1.06 -0.14 0.15 -2.55 0.00 0.00 0.00 176.54 175.06 3i8r h PRO 123 N -0.25 0.36 -0.62 4.80 0.11 -1.90 -0.68 132.00 133.81 3i8r h PRO 123 Ca 0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3i8r h PRO 123 Cb 0.30 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3i8r h PRO 123 CO -0.12 0.31 0.27 0.00 -0.21 0.00 0.00 178.00 178.26 3i8r h ALA 124 N 1.03 1.32 -0.33 -0.75 0.00 -1.82 -2.46 119.26 116.25 3i8r h ALA 124 Ca 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3i8r h ALA 124 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3i8r h ALA 124 CO -0.02 0.52 -0.03 1.25 0.00 0.00 0.00 179.25 180.97 3i8r h LEU 125 N 0.88 0.60 -1.21 0.00 7.12 -0.62 -2.38 115.31 119.71 3i8r h LEU 125 Ca 0.21 -0.33 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 3i8r h LEU 125 Cb 0.13 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.06 3i8r h LEU 125 CO -0.02 0.79 0.41 0.58 -0.13 0.00 0.00 178.44 180.06 3i8r h VAL 126 N 0.39 1.20 -0.08 1.05 2.07 -0.85 -0.38 116.25 119.65 3i8r h VAL 126 Ca 0.09 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3i8r h VAL 126 Cb 0.50 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3i8r h VAL 126 CO 0.02 0.21 -0.07 0.00 0.02 0.00 0.00 177.57 177.76 3i8r h ALA 127 N 1.49 -0.00 -0.01 1.67 0.00 -1.14 0.09 119.26 121.35 3i8r h ALA 127 Ca 0.25 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3i8r h ALA 127 Cb -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i8r h ALA 127 CO -0.05 -0.54 -0.26 0.45 0.00 0.00 0.00 179.25 178.86 3i8r h HIS 128 N -0.09 0.01 -0.10 0.00 -0.00 -0.80 -1.39 115.15 112.78 3i8r h HIS 128 Ca 0.06 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 3i8r h HIS 128 Cb 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 3i8r h HIS 128 CO -0.17 0.27 -0.11 1.25 -0.00 0.00 0.00 177.93 179.16 3i8r h HIS 129 N 0.01 0.30 0.11 2.45 6.17 -0.52 -2.24 115.15 121.43 3i8r h HIS 129 Ca -0.00 -0.09 -0.01 0.00 0.71 0.00 0.00 60.37 60.98 3i8r h HIS 129 Cb 0.46 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.33 3i8r h HIS 129 CO 0.00 0.68 -0.05 -0.92 0.71 0.00 0.00 177.93 178.35 3i8r h TYR 130 N -0.16 -0.14 -0.71 5.26 3.20 -0.86 0.19 116.97 123.75 3i8r h TYR 130 Ca 0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3i8r h TYR 130 Cb 0.63 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 3i8r h TYR 130 CO 0.09 -0.03 0.47 0.28 -1.64 0.00 0.00 178.16 177.32 3i8r h VAL 131 N -0.20 1.16 0.00 1.81 2.07 -1.15 -1.97 116.25 117.97 3i8r h VAL 131 Ca -0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3i8r h VAL 131 Cb 0.16 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3i8r h VAL 131 CO 0.02 0.17 -0.15 0.03 0.02 0.00 0.00 177.57 177.66 3i8r h ARG 132 N 0.94 0.00 -0.13 1.57 2.47 -1.35 -3.32 114.38 114.56 3i8r h ARG 132 Ca 0.26 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.81 3i8r h ARG 132 Cb -0.08 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3i8r h ARG 132 CO -0.07 0.00 -0.65 1.88 0.56 0.00 0.00 179.97 181.69 3i8r h TYR 133 N -0.89 0.65 -0.09 3.04 0.05 -0.69 -0.74 116.97 118.30 3i8r h TYR 133 Ca 0.00 -0.26 -0.12 0.00 0.05 0.00 0.00 58.73 58.39 3i8r h TYR 133 Cb 0.15 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3i8r h TYR 133 CO -0.07 1.01 -0.50 1.25 -1.05 0.00 0.00 178.16 178.81 3i8r h LEU 134 N 0.36 0.27 -0.23 3.88 5.85 -1.42 -0.40 115.31 123.62 3i8r h LEU 134 Ca -0.02 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3i8r h LEU 134 Cb 1.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3i8r h LEU 134 CO 0.12 0.72 0.08 1.23 -0.34 0.00 0.00 178.44 180.25 3i8r h GLY 135 N 1.33 0.37 0.92 3.75 0.00 -1.56 -0.69 103.07 107.20 3i8r h GLY 135 Ca 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3i8r h GLY 135 CO 0.08 0.20 0.36 -0.55 0.00 0.00 0.00 176.54 176.63 3i8r h ASP 136 N 0.20 0.60 0.21 0.19 3.45 -0.65 0.25 116.42 120.67 3i8r h ASP 136 Ca 0.07 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.44 3i8r h ASP 136 Cb 0.21 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3i8r h ASP 136 CO -0.00 0.43 -0.35 -0.07 -1.57 0.00 0.00 179.24 177.68 3i8r h LEU 137 N 0.72 0.20 0.00 1.55 3.38 -0.94 -2.39 115.31 117.83 3i8r h LEU 137 Ca 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3i8r h LEU 137 Cb -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3i8r h LEU 137 CO -0.08 0.54 -0.78 -1.20 0.09 0.00 0.00 178.44 177.01 3i8r n SER 138 N -4.09 1.86 -0.58 -0.43 7.64 -0.28 -4.56 113.62 113.19 3i8r n SER 138 Ca -0.01 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.48 3i8r n SER 138 Cb 0.42 -0.83 0.34 0.00 -1.01 0.00 0.00 64.21 63.14 3i8r n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8r n GLY 139 N 1.54 0.37 0.19 0.23 0.00 -0.01 -4.69 105.19 102.82 3i8r n GLY 139 Ca -0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3i8r n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i8r h GLY 140 N 5.03 0.50 1.67 -0.02 0.00 -1.40 -1.36 103.07 107.49 3i8r h GLY 140 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3i8r h GLY 140 CO 0.00 0.55 0.03 1.46 0.00 0.00 0.00 176.54 178.58 3i8r h GLN 141 N 0.34 0.42 -0.01 4.80 1.08 -1.84 0.57 115.11 120.47 3i8r h GLN 141 Ca -0.01 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3i8r h GLN 141 Cb 1.15 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3i8r h GLN 141 CO 0.11 0.43 0.00 0.28 -0.95 0.00 0.00 178.83 178.70 3i8r h VAL 142 N 0.41 1.13 -0.78 -0.54 2.07 -1.59 0.19 116.25 117.14 3i8r h VAL 142 Ca 0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3i8r h VAL 142 Cb 0.23 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3i8r h VAL 142 CO 0.00 0.10 0.45 0.40 0.02 0.00 0.00 177.57 178.54 3i8r h ILE 143 N -0.14 1.23 -0.43 4.57 1.08 -1.02 -1.18 117.51 121.62 3i8r h ILE 143 Ca 0.00 -0.53 -0.07 0.00 -0.39 0.00 0.00 64.86 63.87 3i8r h ILE 143 Cb 0.16 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 3i8r h ILE 143 CO -0.00 0.24 -0.02 0.00 -0.69 0.00 0.00 178.15 177.68 3i8r h ALA 144 N 1.24 0.58 -0.91 1.87 0.00 -0.75 -1.15 119.26 120.14 3i8r h ALA 144 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i8r h ALA 144 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3i8r h ALA 144 CO -0.05 0.38 0.56 -0.09 0.00 0.00 0.00 179.25 180.06 3i8r h ARG 145 N 0.60 1.22 -0.53 0.00 9.65 -0.44 -1.69 114.38 123.18 3i8r h ARG 145 Ca 0.12 -0.10 -0.11 0.00 -1.10 0.00 0.00 59.98 58.79 3i8r h ARG 145 Cb 0.52 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 3i8r h ARG 145 CO 0.03 0.84 -0.09 0.52 2.80 0.00 0.00 179.97 184.07 3i8r h MET 146 N 1.25 0.98 -0.25 0.20 2.86 -0.60 0.77 114.93 120.13 3i8r h MET 146 Ca 0.33 -0.34 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 3i8r h MET 146 Cb -0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3i8r h MET 146 CO -0.06 1.02 -0.38 0.52 1.06 0.00 0.00 176.91 179.06 3i8r h MET 147 N 0.88 0.58 -0.45 1.72 2.86 -0.90 0.23 114.93 119.85 3i8r h MET 147 Ca 0.14 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3i8r h MET 147 Cb 0.63 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3i8r h MET 147 CO 0.04 0.87 -0.01 1.96 1.06 0.00 0.00 176.91 180.83 3i8r h GLN 148 N 0.48 0.79 0.01 1.72 4.20 -0.94 -2.46 115.11 118.92 3i8r h GLN 148 Ca 0.05 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 3i8r h GLN 148 Cb 0.88 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.60 3i8r h GLN 148 CO 0.08 0.86 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.68 3i8r h ARG 149 N 0.64 0.22 0.07 1.46 2.43 -0.56 -1.88 114.38 116.74 3i8r h ARG 149 Ca 0.13 -0.24 -0.26 0.00 -0.81 0.00 0.00 59.98 58.79 3i8r h ARG 149 Cb 0.51 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3i8r h ARG 149 CO 0.02 0.97 -1.30 0.45 -1.51 0.00 0.00 179.97 178.61 3i8r h HIS 150 N -0.44 0.26 0.00 2.20 3.86 -1.10 -3.39 115.15 116.54 3i8r h HIS 150 Ca -0.04 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3i8r h HIS 150 Cb 1.09 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3i8r h HIS 150 CO 0.18 1.18 0.00 0.66 0.86 0.00 0.00 177.93 180.81 3i8r n TYR 151 N -3.39 0.00 -1.79 2.45 0.53 -0.95 -5.02 117.16 108.99 3i8r n TYR 151 Ca -0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.66 3i8r n TYR 151 Cb 1.00 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.28 3i8r n TYR 151 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i8r n GLY 152 N 0.37 0.64 3.75 2.72 0.00 -0.71 -4.84 105.19 107.12 3i8r n GLY 152 Ca 0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3i8r n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8r s VAL 153 N -2.56 2.36 0.34 1.61 1.01 -1.06 -4.91 120.40 117.19 3i8r s VAL 153 Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 3i8r s VAL 153 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 3i8r s VAL 153 CO 0.00 0.06 1.17 -0.62 0.00 0.00 0.00 175.10 175.71 3i8r s ASP 154 N 0.28 6.87 0.63 3.32 -1.08 -1.26 -4.44 116.67 121.00 3i8r s ASP 154 Ca 0.59 2.39 0.40 0.00 -0.52 0.00 0.00 52.55 55.41 3i8r s ASP 154 Cb -0.45 -2.63 2.14 0.00 -1.46 0.00 0.00 42.92 40.53 3i8r s ASP 154 CO 0.48 -0.43 2.29 1.55 0.52 0.00 0.00 175.17 179.58 3i8r h PRO 155 N 3.25 0.00 0.00 4.34 0.13 -1.98 -0.52 132.00 137.22 3i8r h PRO 155 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3i8r h PRO 155 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i8r h PRO 155 CO 0.65 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 179.36 3i8r h GLU 156 N 0.00 0.00 -0.58 0.86 4.39 -2.02 -1.96 114.58 115.27 3i8r h GLU 156 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i8r h GLU 156 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3i8r h GLU 156 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3i8r n ALA 157 N -2.07 2.75 -1.74 3.43 0.00 -0.20 -4.17 120.51 118.51 3i8r n ALA 157 Ca 0.01 -1.05 0.06 0.00 0.00 0.00 0.00 53.44 52.46 3i8r n ALA 157 Cb 0.33 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 18.92 3i8r n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8r n LEU 158 N 0.84 2.08 -0.33 0.00 4.77 -0.74 -4.78 117.00 118.85 3i8r n LEU 158 Ca 0.18 -3.15 0.18 0.00 -0.03 0.00 0.00 56.01 53.19 3i8r n LEU 158 Cb 0.59 -0.36 0.39 0.00 -2.33 0.00 0.00 43.42 41.71 3i8r n LEU 158 CO 0.15 1.01 1.10 1.23 -1.33 0.00 0.00 177.39 179.56 3i8r h GLY 159 N 0.77 1.83 -0.27 -0.72 0.00 -1.72 -0.19 103.07 102.76 3i8r h GLY 159 Ca -0.05 -0.23 0.27 0.00 0.00 0.00 0.00 47.33 47.32 3i8r h GLY 159 CO 0.02 -0.34 0.57 -2.75 0.00 0.00 0.00 176.54 174.04 3i8r h PHE 160 N 0.42 0.97 -0.00 5.60 3.57 -1.86 -0.04 116.94 125.59 3i8r h PHE 160 Ca 0.65 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.18 3i8r h PHE 160 Cb 1.33 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3i8r h PHE 160 CO -0.06 -0.02 -0.24 0.66 -2.23 0.00 0.00 178.31 176.41 3i8r n TYR 161 N -4.95 0.00 0.08 0.41 4.02 -0.09 -4.27 117.16 112.37 3i8r n TYR 161 Ca 0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.16 3i8r n TYR 161 Cb 0.82 -0.29 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 3i8r n TYR 161 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3i8r h HIS 162 N 0.24 0.00 -6.53 -0.72 3.86 -0.94 -3.45 115.15 107.61 3i8r h HIS 162 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 3i8r h HIS 162 Cb 0.46 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.96 3i8r h HIS 162 CO 0.00 0.65 -0.93 1.19 0.86 0.00 0.00 177.93 179.70 3i8r n PHE 163 N -3.15 -1.84 -1.65 2.45 3.01 -1.25 -4.87 117.46 110.17 3i8r n PHE 163 Ca -0.03 0.45 -0.46 0.00 1.01 0.00 0.00 57.45 58.42 3i8r n PHE 163 Cb 0.82 -3.11 -0.03 0.00 -0.01 0.00 0.00 39.48 37.15 3i8r n PHE 163 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3i8r n GLU 164 N -3.95 1.83 -0.05 -1.08 2.13 -1.26 -1.28 120.64 116.97 3i8r n GLU 164 Ca -0.14 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3i8r n GLU 164 Cb 0.60 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 30.01 3i8r n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i8r n GLY 165 N 2.40 0.48 3.34 8.31 0.00 -1.26 -4.97 105.19 113.49 3i8r n GLY 165 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3i8r n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8r s ILE 166 N -2.20 3.48 0.00 -0.61 1.01 -0.40 -5.03 121.20 117.45 3i8r s ILE 166 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3i8r s ILE 166 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3i8r s ILE 166 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.37 3i8r n ALA 167 N 4.61 0.00 -2.68 9.38 0.00 -1.26 -4.79 120.51 125.77 3i8r n ALA 167 Ca -0.18 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 3i8r n ALA 167 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 3i8r n ALA 167 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i8r s LYS 168 N -0.41 3.26 0.11 0.00 1.02 -1.26 -4.85 119.74 117.61 3i8r s LYS 168 Ca 0.00 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 3i8r s LYS 168 Cb 0.00 -4.44 -0.12 0.00 -0.52 0.00 0.00 37.83 32.75 3i8r s LYS 168 CO 0.00 -2.02 1.34 1.25 -0.92 0.00 0.00 175.35 174.99 3i8r h LEU 169 N 12.25 0.92 -0.56 3.17 5.85 -2.00 -2.23 115.31 132.72 3i8r h LEU 169 Ca -0.17 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 57.94 3i8r h LEU 169 Cb 1.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3i8r h LEU 169 CO 1.26 1.38 0.23 0.50 -0.34 0.00 0.00 178.44 181.47 3i8r h LYS 170 N 0.55 0.82 -0.59 1.25 1.63 -1.97 -1.87 116.57 116.40 3i8r h LYS 170 Ca -0.04 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3i8r h LYS 170 Cb 1.36 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 3i8r h LYS 170 CO 0.15 0.70 0.39 0.28 -3.45 0.00 0.00 179.45 177.52 3i8r h VAL 171 N 0.76 1.15 -0.38 2.00 2.07 -1.97 -1.72 116.25 118.17 3i8r h VAL 171 Ca 0.19 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3i8r h VAL 171 Cb 0.18 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3i8r h VAL 171 CO -0.02 0.15 0.19 0.22 0.02 0.00 0.00 177.57 178.13 3i8r h TYR 172 N 0.80 0.34 -0.01 1.57 3.20 -1.11 0.11 116.97 121.87 3i8r h TYR 172 Ca 0.22 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.13 3i8r h TYR 172 Cb -0.08 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3i8r h TYR 172 CO -0.03 0.18 -0.15 0.87 -1.64 0.00 0.00 178.16 177.39 3i8r h LYS 173 N 0.38 -0.23 -0.57 1.82 1.57 -1.26 0.32 116.57 118.60 3i8r h LYS 173 Ca 0.16 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.07 3i8r h LYS 173 Cb 0.07 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.34 3i8r h LYS 173 CO -0.11 -0.15 0.05 -0.44 -0.57 0.00 0.00 179.45 178.23 3i8r h ASP 174 N -0.24 -0.15 -0.54 0.86 3.32 -0.93 -1.10 116.42 117.65 3i8r h ASP 174 Ca 0.05 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3i8r h ASP 174 Cb 0.31 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3i8r h ASP 174 CO -0.15 -0.05 0.17 -0.33 -1.72 0.00 0.00 179.24 177.16 3i8r h GLU 175 N 0.17 0.88 -0.28 3.56 5.08 -0.77 -1.69 114.58 121.54 3i8r h GLU 175 Ca 0.30 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3i8r h GLU 175 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3i8r h GLU 175 CO -0.44 0.77 0.13 -0.92 -1.00 0.00 0.00 179.01 177.54 3i8r h TYR 176 N 0.85 0.41 -0.13 4.33 5.03 -0.31 -0.32 116.97 126.83 3i8r h TYR 176 Ca 0.19 -0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.37 3i8r h TYR 176 Cb 0.26 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 3i8r h TYR 176 CO 0.02 0.40 -0.38 0.00 -1.32 0.00 0.00 178.16 176.87 3i8r h ARG 177 N 0.31 0.29 -0.38 1.82 3.08 -0.98 -1.48 114.38 117.04 3i8r h ARG 177 Ca 0.10 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3i8r h ARG 177 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3i8r h ARG 177 CO -0.01 0.64 -0.07 1.49 -1.07 0.00 0.00 179.97 180.95 3i8r h GLU 178 N 0.25 0.64 -0.68 0.04 4.81 -1.09 -1.76 114.58 116.79 3i8r h GLU 178 Ca 0.03 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3i8r h GLU 178 Cb 0.79 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3i8r h GLU 178 CO 0.06 0.71 0.19 0.87 -0.73 0.00 0.00 179.01 180.12 3i8r h LYS 179 N 0.60 1.07 -0.24 1.92 1.57 -0.32 -1.47 116.57 119.69 3i8r h LYS 179 Ca 0.11 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3i8r h LYS 179 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3i8r h LYS 179 CO 0.03 0.94 0.13 -0.07 -0.57 0.00 0.00 179.45 179.90 3i8r h LEU 180 N 1.00 0.29 -1.64 2.94 3.38 -0.90 -2.59 115.31 117.79 3i8r h LEU 180 Ca 0.22 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3i8r h LEU 180 Cb 0.33 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3i8r h LEU 180 CO -0.00 0.29 0.38 0.78 0.09 0.00 0.00 178.44 179.98 3i8r h ASN 181 N 0.27 0.38 -0.11 -0.43 2.35 -1.15 -2.84 115.58 114.06 3i8r h ASN 181 Ca 0.08 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3i8r h ASN 181 Cb 0.06 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3i8r h ASN 181 CO -0.01 0.23 0.00 0.59 -1.65 0.00 0.00 177.43 176.59 3i8r n ASN 182 N -4.47 2.23 -4.76 5.81 5.03 -0.57 -4.73 115.26 113.79 3i8r n ASN 182 Ca 0.09 -1.75 -0.41 0.00 0.87 0.00 0.00 54.58 53.38 3i8r n ASN 182 Cb 0.33 -0.06 -0.02 0.00 -1.02 0.00 0.00 39.78 39.02 3i8r n ASN 182 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3i8r s LEU 183 N -1.83 4.39 -0.44 3.41 2.96 -1.01 -4.97 118.68 121.19 3i8r s LEU 183 Ca 0.34 2.75 -0.29 0.00 -0.22 0.00 0.00 54.13 56.71 3i8r s LEU 183 Cb 0.20 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 43.28 3i8r s LEU 183 CO 0.31 -0.67 1.12 -1.61 -1.32 0.00 0.00 176.35 174.17 3i8r s GLU 184 N -1.20 3.80 -0.03 1.98 0.41 -1.26 -5.02 118.70 117.37 3i8r s GLU 184 Ca 0.54 0.67 0.02 0.00 -0.41 0.00 0.00 54.97 55.79 3i8r s GLU 184 Cb -0.42 -3.87 0.01 0.00 -1.78 0.00 0.00 34.13 28.07 3i8r s GLU 184 CO 0.50 -1.28 -0.05 -0.51 -0.49 0.00 0.00 175.26 173.43 3i8r s LEU 185 N 4.27 1.60 1.04 1.80 1.43 -1.26 -5.07 118.68 122.50 3i8r s LEU 185 Ca 0.47 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.29 3i8r s LEU 185 Cb -0.08 -0.41 0.21 0.00 0.03 0.00 0.00 46.19 45.94 3i8r s LEU 185 CO 0.28 0.00 1.14 -0.94 0.23 0.00 0.00 176.35 177.06 3i8r s SER 186 N 0.48 2.31 0.14 2.29 1.04 -1.26 -4.77 113.70 113.93 3i8r s SER 186 Ca -0.06 0.80 -0.12 0.00 0.48 0.00 0.00 55.95 57.05 3i8r s SER 186 Cb -0.10 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.80 3i8r s SER 186 CO 0.00 -3.28 1.54 0.44 0.98 0.00 0.00 173.24 172.92 3i8r h ASP 187 N -2.00 0.91 -0.52 7.02 3.32 -2.01 0.11 116.42 123.24 3i8r h ASP 187 Ca -0.49 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.14 3i8r h ASP 187 Cb 1.31 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3i8r h ASP 187 CO 0.48 1.08 0.19 -0.33 -1.72 0.00 0.00 179.24 178.93 3i8r h GLU 188 N 0.73 0.85 0.03 3.56 3.07 -1.99 -1.00 114.58 119.82 3i8r h GLU 188 Ca 0.11 -0.15 -0.21 0.00 -0.50 0.00 0.00 59.36 58.61 3i8r h GLU 188 Cb 0.70 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.49 3i8r h GLU 188 CO 0.05 0.73 -0.84 1.96 -1.40 0.00 0.00 179.01 179.51 3i8r h GLN 189 N 0.83 0.52 -0.29 2.33 4.20 -1.73 -2.10 115.11 118.86 3i8r h GLN 189 Ca 0.19 -0.60 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 3i8r h GLN 189 Cb 0.23 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3i8r h GLN 189 CO -0.01 1.22 0.08 -0.09 -0.67 0.00 0.00 178.83 179.36 3i8r h ARG 190 N 0.07 0.46 -0.36 1.46 2.43 -0.75 -0.62 114.38 117.07 3i8r h ARG 190 Ca -0.11 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3i8r h ARG 190 Cb 1.54 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.98 3i8r h ARG 190 CO 0.16 0.54 0.08 1.49 -1.51 0.00 0.00 179.97 180.73 3i8r h GLU 191 N 0.31 0.20 -0.72 0.20 4.81 -1.20 -0.14 114.58 118.04 3i8r h GLU 191 Ca 0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3i8r h GLU 191 Cb 0.28 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3i8r h GLU 191 CO -0.00 0.14 0.38 1.25 -0.73 0.00 0.00 179.01 180.04 3i8r h HIS 192 N 0.21 1.01 -0.05 0.92 2.76 -1.15 -0.90 115.15 117.94 3i8r h HIS 192 Ca 0.17 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3i8r h HIS 192 Cb 0.19 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 3i8r h HIS 192 CO -0.18 0.72 0.02 1.25 -1.30 0.00 0.00 177.93 178.44 3i8r h LEU 193 N 1.00 0.08 -0.89 0.26 6.46 -0.72 -0.48 115.31 121.01 3i8r h LEU 193 Ca 0.25 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3i8r h LEU 193 Cb 0.07 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 3i8r h LEU 193 CO -0.04 0.23 0.50 -0.07 -0.62 0.00 0.00 178.44 178.45 3i8r h LEU 194 N -0.08 1.10 -0.60 2.25 3.38 -0.79 -0.77 115.31 119.80 3i8r h LEU 194 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3i8r h LEU 194 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3i8r h LEU 194 CO -0.00 0.88 0.18 0.50 0.09 0.00 0.00 178.44 180.09 3i8r h LYS 195 N 1.24 0.93 -0.45 1.13 3.64 -0.99 -2.62 116.57 119.44 3i8r h LYS 195 Ca 0.32 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3i8r h LYS 195 Cb 0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3i8r h LYS 195 CO -0.05 0.83 -0.00 1.49 -2.27 0.00 0.00 179.45 179.44 3i8r h GLU 196 N 0.85 0.75 -0.83 1.90 4.57 -0.57 -1.79 114.58 119.45 3i8r h GLU 196 Ca 0.19 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3i8r h GLU 196 Cb 0.29 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3i8r h GLU 196 CO -0.01 0.76 0.41 0.00 -1.18 0.00 0.00 179.01 179.00 3i8r h ALA 197 N 1.30 1.07 -0.62 2.92 0.00 -0.80 0.30 119.26 123.43 3i8r h ALA 197 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i8r h ALA 197 Cb 0.44 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i8r h ALA 197 CO 0.02 0.63 0.40 1.15 0.00 0.00 0.00 179.25 181.45 3i8r h THR 198 N 1.18 1.17 -0.16 0.00 2.02 -1.14 -1.98 112.91 114.00 3i8r h THR 198 Ca 0.29 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 3i8r h THR 198 Cb 0.10 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3i8r h THR 198 CO -0.04 0.16 -0.25 0.44 0.37 0.00 0.00 175.52 176.20 3i8r h ASP 199 N 0.84 0.28 -0.99 4.18 3.32 -0.46 -2.01 116.42 121.58 3i8r h ASP 199 Ca 0.23 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3i8r h ASP 199 Cb -0.08 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3i8r h ASP 199 CO -0.05 0.54 0.65 0.00 -1.72 0.00 0.00 179.24 178.67 3i8r h ALA 200 N 1.48 1.26 -0.20 3.45 0.00 -0.10 -0.51 119.26 124.64 3i8r h ALA 200 Ca 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3i8r h ALA 200 Cb 0.59 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i8r h ALA 200 CO 0.04 0.66 -0.49 0.74 0.00 0.00 0.00 179.25 180.21 3i8r h PHE 201 N 1.35 0.64 -0.35 0.00 -1.00 -0.82 -1.70 116.94 115.05 3i8r h PHE 201 Ca 0.36 -0.21 0.02 0.00 2.81 0.00 0.00 57.97 60.95 3i8r h PHE 201 Cb -0.14 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 3i8r h PHE 201 CO 0.00 0.90 0.21 0.28 -1.61 0.00 0.00 178.31 178.09 3i8r h VAL 202 N 0.41 1.04 -0.62 -0.55 2.07 -0.66 0.82 116.25 118.76 3i8r h VAL 202 Ca 0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3i8r h VAL 202 Cb 1.00 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3i8r h VAL 202 CO 0.09 0.08 0.35 -0.26 0.02 0.00 0.00 177.57 177.85 3i8r h PHE 203 N 0.42 0.83 -0.67 1.57 0.05 -0.94 -1.87 116.94 116.33 3i8r h PHE 203 Ca 0.14 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.91 3i8r h PHE 203 Cb 0.00 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 37.65 3i8r h PHE 203 CO -0.08 0.59 0.39 -0.91 -0.18 0.00 0.00 178.31 178.12 3i8r h ASN 204 N 0.83 0.82 -0.48 2.17 2.35 -1.04 -1.52 115.58 118.71 3i8r h ASN 204 Ca 0.22 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3i8r h ASN 204 Cb 0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3i8r h ASN 204 CO -0.04 0.66 0.14 -0.74 -1.65 0.00 0.00 177.43 175.80 3i8r h HIS 205 N 0.91 0.84 0.00 1.19 2.76 -0.66 -2.64 115.15 117.56 3i8r h HIS 205 Ca 0.24 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3i8r h HIS 205 Cb 0.00 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 3i8r h HIS 205 CO -0.01 0.70 -0.23 0.37 -1.30 0.00 0.00 177.93 177.46 3i8r h GLN 206 N 0.79 0.00 -0.40 5.26 5.75 -0.84 -1.12 115.11 124.56 3i8r h GLN 206 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3i8r h GLN 206 Cb 0.28 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3i8r h GLN 206 CO -0.00 0.23 0.26 0.28 -2.65 0.00 0.00 178.83 176.94 3i8r h VAL 207 N 0.00 1.11 -0.48 2.39 2.07 -0.93 0.37 116.25 120.78 3i8r h VAL 207 Ca -0.00 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3i8r h VAL 207 Cb 0.72 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3i8r h VAL 207 CO 0.03 0.11 -0.22 -0.26 0.02 0.00 0.00 177.57 177.25 3i8r h PHE 208 N 0.54 1.14 -0.35 1.57 0.04 -1.16 -1.57 116.94 117.15 3i8r h PHE 208 Ca 0.15 -0.28 0.03 0.00 2.80 0.00 0.00 57.97 60.66 3i8r h PHE 208 Cb -0.05 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 3i8r h PHE 208 CO -0.05 1.11 0.16 0.00 -0.60 0.00 0.00 178.31 178.93 3i8r h ALA 209 N 0.86 0.42 -0.31 2.45 0.00 -0.73 -1.20 119.26 120.75 3i8r h ALA 209 Ca 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3i8r h ALA 209 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i8r h ALA 209 CO 0.07 -0.22 -0.22 -0.44 0.00 0.00 0.00 179.25 178.44 3i8r h ASP 210 N 0.34 0.59 -0.25 0.00 5.19 -0.80 -2.19 116.42 119.30 3i8r h ASP 210 Ca 0.15 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 3i8r h ASP 210 Cb 0.08 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 3i8r h ASP 210 CO -0.12 0.81 0.06 -0.07 -3.12 0.00 0.00 179.24 176.80 3i8r h LEU 211 N 0.52 0.45 -0.56 1.55 3.38 -0.98 -2.68 115.31 116.99 3i8r h LEU 211 Ca 0.08 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3i8r h LEU 211 Cb 0.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3i8r h LEU 211 CO 0.05 0.48 -0.26 1.23 0.09 0.00 0.00 178.44 180.03 3i8r h GLY 212 N 0.74 0.00 1.00 0.83 0.00 -0.82 -3.51 103.07 101.32 3i8r h GLY 212 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3i8r h GLY 212 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82