#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1j s SER 2 N 0.00 5.82 0.19 6.12 1.04 -1.26 -4.93 113.70 120.68 1j1j s SER 2 Ca 0.00 0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.36 1j1j s SER 2 Cb 0.00 -1.32 0.19 0.00 0.10 0.00 0.00 66.02 64.99 1j1j s SER 2 CO 0.00 -0.65 1.72 0.58 0.98 0.00 0.00 173.24 175.87 1j1j h VAL 3 N 0.55 0.74 -0.86 5.02 2.07 -2.05 -0.69 116.25 121.03 1j1j h VAL 3 Ca -0.45 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1j1j h VAL 3 Cb 1.26 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1j1j h VAL 3 CO 0.55 0.05 0.48 -1.28 0.02 0.00 0.00 177.57 177.38 1j1j h SER 4 N 0.27 1.07 0.01 0.57 0.87 -1.99 -1.95 113.55 112.40 1j1j h SER 4 Ca 0.25 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1j1j h SER 4 Cb 0.32 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1j1j h SER 4 CO -0.31 0.85 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.51 1j1j h GLU 5 N 1.20 -0.02 -0.36 2.24 5.08 -1.74 -2.36 114.58 118.62 1j1j h GLU 5 Ca 0.30 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.74 1j1j h GLU 5 Cb 0.02 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 1j1j h GLU 5 CO -0.05 0.34 -0.19 0.82 -1.00 0.00 0.00 179.01 178.93 1j1j h ILE 6 N -0.38 0.44 0.00 3.13 2.04 -1.00 -0.26 117.51 121.49 1j1j h ILE 6 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1j1j h ILE 6 Cb 0.37 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1j1j h ILE 6 CO 0.00 0.00 -0.25 -0.26 0.00 0.00 0.00 178.15 177.64 1j1j h PHE 7 N -0.13 0.00 -0.39 1.37 -1.00 -1.37 -0.49 116.94 114.92 1j1j h PHE 7 Ca 0.18 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.82 1j1j h PHE 7 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1j1j h PHE 7 CO -0.41 0.25 -0.32 0.28 -1.61 0.00 0.00 178.31 176.50 1j1j h VAL 8 N 0.00 1.27 -0.42 -0.55 2.07 -0.63 0.21 116.25 118.21 1j1j h VAL 8 Ca -0.00 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 1j1j h VAL 8 Cb 0.51 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1j1j h VAL 8 CO 0.03 0.50 0.02 -0.08 0.02 0.00 0.00 177.57 178.06 1j1j h GLU 9 N 0.73 0.72 -0.69 1.57 4.81 -0.43 -1.55 114.58 119.75 1j1j h GLU 9 Ca 0.08 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1j1j h GLU 9 Cb 0.88 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1j1j h GLU 9 CO 0.08 0.79 0.45 -0.07 -0.73 0.00 0.00 179.01 179.54 1j1j h LEU 10 N 0.56 0.73 -1.45 1.64 3.38 -0.81 0.24 115.31 119.60 1j1j h LEU 10 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1j1j h LEU 10 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1j1j h LEU 10 CO 0.02 0.51 0.13 -0.61 0.09 0.00 0.00 178.44 178.57 1j1j h GLN 11 N 0.85 0.49 0.21 1.13 4.15 -0.28 -1.87 115.11 119.79 1j1j h GLN 11 Ca 0.27 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1j1j h GLN 11 Cb 0.03 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1j1j h GLN 11 CO -0.07 0.42 -0.10 0.78 -1.93 0.00 0.00 178.83 177.93 1j1j h GLY 12 N 0.66 -0.29 0.88 2.39 0.00 0.41 -2.59 103.07 104.52 1j1j h GLY 12 Ca 0.12 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1j1j h GLY 12 CO -0.01 -0.10 0.50 0.74 0.00 0.00 0.00 176.54 177.66 1j1j h PHE 13 N -0.68 0.93 -0.42 5.60 0.04 -1.09 -1.32 116.94 119.99 1j1j h PHE 13 Ca -0.03 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1j1j h PHE 13 Cb 0.48 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1j1j h PHE 13 CO 0.04 0.53 0.08 -0.07 -0.60 0.00 0.00 178.31 178.30 1j1j h LEU 14 N 0.97 0.59 -0.42 1.54 3.38 -1.40 0.21 115.31 120.18 1j1j h LEU 14 Ca 0.31 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 1j1j h LEU 14 Cb 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1j1j h LEU 14 CO -0.11 0.61 -0.54 0.00 0.09 0.00 0.00 178.44 178.49 1j1j h ALA 15 N 1.47 0.60 -0.16 1.53 0.00 -0.98 -1.68 119.26 120.03 1j1j h ALA 15 Ca 0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1j1j h ALA 15 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1j1j h ALA 15 CO 0.00 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.87 1j1j h ALA 16 N 0.85 0.23 -0.63 0.00 0.00 -0.82 -2.08 119.26 116.80 1j1j h ALA 16 Ca 0.01 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.78 1j1j h ALA 16 Cb 1.12 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1j1j h ALA 16 CO 0.11 0.01 0.18 1.49 0.00 0.00 0.00 179.25 181.04 1j1j h GLU 17 N 0.01 0.31 0.00 0.00 4.81 -0.50 0.98 114.58 120.20 1j1j h GLU 17 Ca 0.04 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1j1j h GLU 17 Cb 0.52 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1j1j h GLU 17 CO 0.02 0.20 -0.28 0.37 -0.73 0.00 0.00 179.01 178.59 1j1j h GLN 18 N 0.32 0.00 0.00 1.92 5.75 -1.19 -2.02 115.11 119.88 1j1j h GLN 18 Ca 0.33 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.71 1j1j h GLN 18 Cb 0.49 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1j1j h GLN 18 CO -0.39 0.28 -0.59 -0.44 -2.65 0.00 0.00 178.83 175.04 1j1j h ASP 19 N 0.00 0.00 -0.28 -0.69 3.32 -0.14 -2.83 116.42 115.81 1j1j h ASP 19 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1j1j h ASP 19 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1j1j h ASP 19 CO 0.04 0.59 -0.11 0.40 -1.72 0.00 0.00 179.24 178.44 1j1j h ILE 20 N 0.00 1.29 -0.78 0.35 2.04 -0.49 -2.01 117.51 117.90 1j1j h ILE 20 Ca -0.01 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.71 1j1j h ILE 20 Cb 1.15 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 1j1j h ILE 20 CO 0.08 0.37 0.51 0.03 0.00 0.00 0.00 178.15 179.15 1j1j h ARG 21 N 0.31 0.89 0.01 2.37 3.08 -1.36 0.08 114.38 119.76 1j1j h ARG 21 Ca 0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1j1j h ARG 21 Cb 0.62 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1j1j h ARG 21 CO 0.04 0.59 -0.00 0.93 -1.07 0.00 0.00 179.97 180.45 1j1j h GLU 22 N 0.92 -0.01 -1.00 0.04 4.39 -1.24 0.58 114.58 118.26 1j1j h GLU 22 Ca 0.32 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.05 1j1j h GLU 22 Cb 0.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1j1j h GLU 22 CO -0.10 0.28 0.66 0.93 -1.16 0.00 0.00 179.01 179.62 1j1j h GLU 23 N -0.29 1.27 -0.08 2.33 4.39 -0.96 -1.56 114.58 119.68 1j1j h GLU 23 Ca -0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1j1j h GLU 23 Cb 0.29 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1j1j h GLU 23 CO 0.00 0.84 0.05 0.82 -1.16 0.00 0.00 179.01 179.56 1j1j h ILE 24 N 1.31 1.07 -0.98 3.13 2.04 -0.84 -2.37 117.51 120.87 1j1j h ILE 24 Ca 0.39 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 66.12 1j1j h ILE 24 Cb -0.07 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1j1j h ILE 24 CO -0.11 0.07 0.63 -0.09 0.00 0.00 0.00 178.15 178.65 1j1j h ARG 25 N 0.05 1.04 -0.41 2.37 2.43 -0.27 0.09 114.38 119.68 1j1j h ARG 25 Ca 0.03 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1j1j h ARG 25 Cb 0.06 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1j1j h ARG 25 CO -0.00 0.69 -0.07 0.87 -1.51 0.00 0.00 179.97 179.95 1j1j h LYS 26 N 1.07 0.76 -0.54 0.20 1.57 -1.07 -2.25 116.57 116.31 1j1j h LYS 26 Ca 0.44 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1j1j h LYS 26 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1j1j h LYS 26 CO -0.20 0.88 0.09 0.28 -0.57 0.00 0.00 179.45 179.93 1j1j h VAL 27 N 0.58 1.25 -0.77 0.50 2.07 -0.87 -2.83 116.25 116.18 1j1j h VAL 27 Ca 0.11 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1j1j h VAL 27 Cb 0.58 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1j1j h VAL 27 CO 0.03 0.35 0.34 0.58 0.02 0.00 0.00 177.57 178.89 1j1j h VAL 28 N 0.79 1.25 -0.76 2.57 2.07 -0.90 -1.02 116.25 120.25 1j1j h VAL 28 Ca 0.17 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1j1j h VAL 28 Cb 0.41 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1j1j h VAL 28 CO 0.01 0.31 0.49 1.56 0.02 0.00 0.00 177.57 179.96 1j1j h GLN 29 N 1.10 1.01 -0.48 1.57 1.08 -1.32 0.14 115.11 118.21 1j1j h GLN 29 Ca 0.26 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.32 1j1j h GLN 29 Cb 0.17 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1j1j h GLN 29 CO -0.03 0.69 0.04 1.03 -0.95 0.00 0.00 178.83 179.61 1j1j h SER 30 N 1.03 0.73 -0.46 1.46 0.87 -1.22 -1.49 113.55 114.47 1j1j h SER 30 Ca 0.28 -0.16 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1j1j h SER 30 Cb -0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 1j1j h SER 30 CO -0.06 0.78 -0.15 0.25 -0.53 0.00 0.00 176.83 177.12 1j1j h LEU 31 N 0.73 0.93 -0.80 2.23 5.85 -0.19 -1.61 115.31 122.45 1j1j h LEU 31 Ca 0.15 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1j1j h LEU 31 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1j1j h LEU 31 CO 0.01 1.10 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.74 1j1j h GLU 32 N 0.76 0.75 0.04 1.25 5.08 -0.40 -0.15 114.58 121.92 1j1j h GLU 32 Ca 0.11 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1j1j h GLU 32 Cb 0.71 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1j1j h GLU 32 CO 0.05 0.86 -0.02 0.37 -1.00 0.00 0.00 179.01 179.27 1j1j h GLN 33 N 0.68 -0.05 -0.88 2.33 5.75 -1.14 -0.87 115.11 120.92 1j1j h GLN 33 Ca 0.11 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1j1j h GLN 33 Cb 0.62 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 1j1j h GLN 33 CO 0.04 0.12 0.57 1.15 -2.65 0.00 0.00 178.83 178.07 1j1j h THR 34 N -0.22 1.23 -0.33 2.39 2.02 -1.07 -1.58 112.91 115.36 1j1j h THR 34 Ca -0.01 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1j1j h THR 34 Cb 0.20 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1j1j h THR 34 CO 0.01 0.23 -0.06 0.00 0.37 0.00 0.00 175.52 176.07 1j1j h ALA 35 N 1.43 1.28 -0.42 6.16 0.00 -0.77 -1.20 119.26 125.75 1j1j h ALA 35 Ca 0.32 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1j1j h ALA 35 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1j1j h ALA 35 CO -0.07 0.48 -0.31 0.00 0.00 0.00 0.00 179.25 179.35 1j1j h ARG 36 N 0.51 0.94 -0.55 0.00 3.08 -0.38 -1.79 114.38 116.20 1j1j h ARG 36 Ca 0.10 -0.45 -0.08 0.00 0.07 0.00 0.00 59.98 59.62 1j1j h ARG 36 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1j1j h ARG 36 CO 0.02 1.11 0.01 0.93 -1.07 0.00 0.00 179.97 180.97 1j1j h GLU 37 N 0.79 0.93 -0.47 0.04 5.08 -0.89 -1.79 114.58 118.28 1j1j h GLU 37 Ca 0.08 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1j1j h GLU 37 Cb 0.89 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1j1j h GLU 37 CO 0.08 0.92 -0.06 0.82 -1.00 0.00 0.00 179.01 179.77 1j1j h ILE 38 N 0.86 1.27 -0.82 3.13 2.04 -1.06 -2.11 117.51 120.82 1j1j h ILE 38 Ca 0.16 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.89 1j1j h ILE 38 Cb 0.49 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1j1j h ILE 38 CO 0.02 0.40 0.54 0.25 0.00 0.00 0.00 178.15 179.36 1j1j h LEU 39 N 0.71 0.91 -0.97 1.44 5.85 -1.08 -1.37 115.31 120.80 1j1j h LEU 39 Ca 0.13 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1j1j h LEU 39 Cb 0.59 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1j1j h LEU 39 CO 0.04 0.64 0.19 0.74 -0.34 0.00 0.00 178.44 179.71 1j1j h THR 40 N 1.06 1.23 0.00 1.05 2.02 -0.88 0.44 112.91 117.83 1j1j h THR 40 Ca 0.31 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 1j1j h THR 40 Cb -0.05 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1j1j h THR 40 CO -0.08 0.31 -0.23 -0.07 0.37 0.00 0.00 175.52 175.83 1j1j h LEU 41 N 0.91 0.00 0.03 2.58 3.38 -0.61 -3.28 115.31 118.32 1j1j h LEU 41 Ca 0.20 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.80 1j1j h LEU 41 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1j1j h LEU 41 CO -0.01 0.23 -2.31 0.18 0.09 0.00 0.00 178.44 176.62 1j1j n LEU 42 N -3.66 2.16 -0.43 1.67 4.77 -0.79 -4.38 117.00 116.35 1j1j n LEU 42 Ca -0.01 0.00 0.39 0.00 -0.03 0.00 0.00 56.01 56.36 1j1j n LEU 42 Cb 0.35 -0.59 0.74 0.00 -2.33 0.00 0.00 43.42 41.59 1j1j n LEU 42 CO 0.33 0.79 1.35 1.56 -1.33 0.00 0.00 177.39 180.10 1j1j h GLN 43 N 0.01 0.04 -0.10 3.23 1.08 -0.20 0.31 115.11 119.48 1j1j h GLN 43 Ca -0.52 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.71 1j1j h GLN 43 Cb 2.01 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.42 1j1j h GLN 43 CO -0.02 0.03 0.18 0.78 -0.95 0.00 0.00 178.83 178.85 1j1j h GLY 44 N 0.04 0.00 2.00 3.46 0.00 -1.76 -1.70 103.07 105.11 1j1j h GLY 44 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1j1j h GLY 44 CO -0.07 0.00 0.00 -0.39 0.00 0.00 0.00 176.54 176.08 1j1j h VAL 45 N 0.00 0.00 0.00 4.60 -1.51 -1.23 -2.39 116.25 115.72 1j1j h VAL 45 Ca 0.05 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1j1j h VAL 45 Cb 0.42 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1j1j h VAL 45 CO -0.00 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 176.79 1j1j h HIS 46 N 0.00 0.00 -2.98 5.19 -0.00 -1.53 -3.46 115.15 112.37 1j1j h HIS 46 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.75 1j1j h HIS 46 Cb 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.36 1j1j h HIS 46 CO 0.00 0.00 -0.68 -0.65 -0.00 0.00 0.00 177.93 176.60 1j1j s GLN 47 N -3.38 2.28 0.00 2.45 1.11 -0.90 -4.85 119.66 116.37 1j1j s GLN 47 Ca 0.05 -1.14 0.00 0.00 0.01 0.00 0.00 55.36 54.28 1j1j s GLN 47 Cb 0.09 -2.30 0.00 0.00 -1.01 0.00 0.00 33.01 29.79 1j1j s GLN 47 CO 0.55 0.46 0.00 0.41 0.01 0.00 0.00 175.29 176.71 1j1j n GLY 48 N 0.02 0.13 3.74 3.09 0.00 -1.26 -4.97 105.19 105.95 1j1j n GLY 48 Ca -0.10 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1j1j n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1j s ALA 49 N -2.95 3.49 0.11 4.61 0.00 -1.26 -4.46 121.76 121.30 1j1j s ALA 49 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1j1j s ALA 49 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1j1j s ALA 49 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1j1j n GLY 50 N 2.00 -1.69 2.52 0.00 0.00 0.97 -4.68 105.19 104.32 1j1j n GLY 50 Ca 0.04 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1j1j n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j1j n PHE 51 N -2.22 1.84 0.24 1.61 3.01 -1.26 -4.83 117.46 115.84 1j1j n PHE 51 Ca 0.00 -2.17 0.09 0.00 1.01 0.00 0.00 57.45 56.38 1j1j n PHE 51 Cb 0.22 -0.27 0.59 0.00 -0.01 0.00 0.00 39.48 40.01 1j1j n PHE 51 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1j1j h GLN 52 N 2.44 0.00 0.00 -1.08 4.20 -1.99 -2.55 115.11 116.14 1j1j h GLN 52 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1j1j h GLN 52 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1j1j h GLN 52 CO 0.41 0.19 0.00 -0.40 -0.67 0.00 0.00 178.83 178.35 1j1j n ASP 53 N -3.88 0.00 -4.71 1.46 5.75 -1.26 -4.19 116.55 109.72 1j1j n ASP 53 Ca -0.02 0.19 -0.35 0.00 -0.01 0.00 0.00 54.79 54.60 1j1j n ASP 53 Cb 0.28 -0.31 -0.09 0.00 -1.03 0.00 0.00 41.12 39.98 1j1j n ASP 53 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1j1j s ILE 54 N -2.62 4.71 -2.13 2.12 1.01 -0.96 -1.05 121.20 122.28 1j1j s ILE 54 Ca 0.08 -0.09 0.30 0.00 0.00 0.00 0.00 60.65 60.94 1j1j s ILE 54 Cb 0.06 -3.03 0.78 0.00 0.01 0.00 0.00 42.46 40.28 1j1j s ILE 54 CO 0.14 0.57 2.05 -0.81 0.00 0.00 0.00 174.94 176.90 1j1j n PRO 55 N 2.47 1.18 -0.10 2.79 -0.04 -1.26 -4.91 135.00 135.13 1j1j n PRO 55 Ca -0.18 -0.26 -0.06 0.00 -0.04 0.00 0.00 63.50 62.95 1j1j n PRO 55 Cb 0.54 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1j1j n PRO 55 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1j1j h LYS 56 N 0.62 0.28 -0.62 0.54 3.64 -1.78 0.24 116.57 119.50 1j1j h LYS 56 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1j1j h LYS 56 Cb 0.13 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1j1j h LYS 56 CO 0.00 0.19 0.15 0.00 -2.27 0.00 0.00 179.45 177.51 1j1j h ARG 57 N 0.29 0.97 -0.46 1.90 3.08 -1.41 -2.00 114.38 116.75 1j1j h ARG 57 Ca 0.16 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1j1j h ARG 57 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1j1j h ARG 57 CO -0.15 0.87 -0.09 0.00 -1.07 0.00 0.00 179.97 179.53 1j1j h LEU 59 N 0.75 0.03 -0.84 0.00 3.38 -0.13 0.02 115.31 118.53 1j1j h LEU 59 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1j1j h LEU 59 Cb 0.58 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1j1j h LEU 59 CO 0.04 0.11 0.43 0.11 0.09 0.00 0.00 178.44 179.22 1j1j h LYS 60 N -0.05 1.19 -0.42 1.13 1.57 -1.26 -1.25 116.57 117.48 1j1j h LYS 60 Ca 0.01 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1j1j h LYS 60 Cb 0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1j1j h LYS 60 CO -0.00 0.90 0.19 0.00 -0.57 0.00 0.00 179.45 179.96 1j1j h ALA 61 N 1.23 0.55 -0.72 3.86 0.00 -0.96 -2.16 119.26 121.06 1j1j h ALA 61 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1j1j h ALA 61 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1j1j h ALA 61 CO -0.04 0.14 0.34 0.00 0.00 0.00 0.00 179.25 179.69 1j1j h ARG 62 N 0.54 1.03 -1.01 0.00 3.08 -0.66 -2.09 114.38 115.28 1j1j h ARG 62 Ca 0.14 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1j1j h ARG 62 Cb 0.16 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1j1j h ARG 62 CO -0.01 0.81 0.66 0.93 -1.07 0.00 0.00 179.97 181.29 1j1j h GLU 63 N 1.00 1.25 0.00 0.04 5.08 -1.04 -0.66 114.58 120.25 1j1j h GLU 63 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1j1j h GLU 63 Cb 0.12 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1j1j h GLU 63 CO -0.03 0.83 0.00 1.25 -1.00 0.00 0.00 179.01 180.06 1j1j h HIS 64 N 1.29 0.00 0.00 4.33 2.76 -0.79 -1.39 115.15 121.35 1j1j h HIS 64 Ca 0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1j1j h HIS 64 Cb -0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1j1j h HIS 64 CO -0.00 0.00 0.00 1.19 -1.30 0.00 0.00 177.93 177.82 1j1j n PHE 65 N -3.02 0.00 -0.14 5.26 3.01 -0.25 -2.13 117.46 120.18 1j1j n PHE 65 Ca 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1j1j n PHE 65 Cb 0.29 -0.43 0.11 0.00 -0.01 0.00 0.00 39.48 39.44 1j1j n PHE 65 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1j1j h GLY 66 N 2.26 0.94 1.94 1.37 0.00 -1.31 -2.18 103.07 106.09 1j1j h GLY 66 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 1j1j h GLY 66 CO 0.00 0.62 -0.60 -0.84 0.00 0.00 0.00 176.54 175.72 1j1j h THR 67 N 0.80 1.42 -0.45 4.70 2.02 -1.63 -2.98 112.91 116.80 1j1j h THR 67 Ca 0.15 -2.05 -0.05 0.00 0.77 0.00 0.00 66.41 65.23 1j1j h THR 67 Cb 0.53 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1j1j h THR 67 CO 0.03 0.59 0.09 0.58 0.37 0.00 0.00 175.52 177.18 1j1j h VAL 68 N 0.04 1.24 -0.28 3.16 2.07 -1.54 -2.52 116.25 118.43 1j1j h VAL 68 Ca -0.01 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1j1j h VAL 68 Cb 1.08 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1j1j h VAL 68 CO 0.08 0.30 0.01 0.11 0.02 0.00 0.00 177.57 178.09 1j1j h LYS 69 N 0.60 0.09 -0.33 1.57 1.57 -1.26 -0.58 116.57 118.23 1j1j h LYS 69 Ca 0.14 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1j1j h LYS 69 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1j1j h LYS 69 CO 0.01 0.06 -0.28 1.79 -0.57 0.00 0.00 179.45 180.46 1j1j h THR 70 N 0.09 1.28 -0.05 -0.16 1.35 -1.50 -1.65 112.91 112.28 1j1j h THR 70 Ca 0.13 -1.39 -0.13 0.00 -0.55 0.00 0.00 66.41 64.48 1j1j h THR 70 Cb 0.17 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1j1j h THR 70 CO -0.22 0.45 -0.55 0.45 -0.25 0.00 0.00 175.52 175.40 1j1j h HIS 71 N 0.59 0.17 -0.00 4.73 3.86 -1.22 0.67 115.15 123.94 1j1j h HIS 71 Ca 0.08 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 1j1j h HIS 71 Cb 0.77 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1j1j h HIS 71 CO 0.04 0.66 -0.69 -0.07 0.86 0.00 0.00 177.93 178.72 1j1j h LEU 72 N 0.10 0.00 -0.02 2.43 3.38 -0.93 0.28 115.31 120.56 1j1j h LEU 72 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j1j h LEU 72 Cb 1.01 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1j1j h LEU 72 CO 0.08 0.69 0.00 0.74 0.09 0.00 0.00 178.44 180.04 1j1j h THR 73 N 0.00 1.24 -0.83 0.22 2.02 -0.80 -1.93 112.91 112.84 1j1j h THR 73 Ca -0.01 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.47 1j1j h THR 73 Cb 1.22 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 1j1j h THR 73 CO 0.09 0.19 0.54 -1.28 0.37 0.00 0.00 175.52 175.43 1j1j h SER 74 N -0.26 0.92 -0.59 4.18 0.87 -0.65 -2.18 113.55 115.84 1j1j h SER 74 Ca 0.00 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1j1j h SER 74 Cb 0.31 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1j1j h SER 74 CO 0.00 0.66 0.39 0.25 -0.53 0.00 0.00 176.83 177.60 1j1j h LEU 75 N 1.09 0.66 -1.11 2.23 5.85 -0.22 -1.42 115.31 122.39 1j1j h LEU 75 Ca 0.31 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1j1j h LEU 75 Cb -0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1j1j h LEU 75 CO -0.08 0.48 -0.44 0.11 -0.34 0.00 0.00 178.44 178.16 1j1j h LYS 76 N 0.78 0.01 -1.32 1.25 1.57 -0.71 -2.83 116.57 115.32 1j1j h LYS 76 Ca 0.22 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1j1j h LYS 76 Cb -0.06 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1j1j h LYS 76 CO -0.05 0.45 0.04 2.41 -0.57 0.00 0.00 179.45 181.72 1j1j n THR 77 N -4.02 1.44 0.00 -0.16 -1.04 -0.54 -3.55 114.28 106.42 1j1j n THR 77 Ca -0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1j1j n THR 77 Cb 0.47 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 1j1j n THR 77 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1j1j n LYS 78 N 0.74 3.77 -3.56 -2.82 4.76 -1.07 -5.06 118.16 114.93 1j1j n LYS 78 Ca 0.03 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.35 1j1j n LYS 78 Cb 0.54 -0.41 -0.04 0.00 -1.84 0.00 0.00 35.03 33.28 1j1j n LYS 78 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1j1j s PHE 79 N -0.73 -0.37 0.02 2.13 -0.12 -1.23 -4.85 117.98 112.83 1j1j s PHE 79 Ca 0.00 0.21 -0.30 0.00 -0.05 0.00 0.00 56.93 56.79 1j1j s PHE 79 Cb 0.00 0.37 -0.08 0.00 -0.63 0.00 0.00 43.02 42.68 1j1j s PHE 79 CO 0.00 -0.72 1.74 -2.14 -0.05 0.00 0.00 175.22 174.05 1j1j s PRO 80 N -3.31 4.18 0.22 1.99 0.02 -1.26 -4.88 135.00 131.95 1j1j s PRO 80 Ca -0.00 2.36 -0.04 0.00 0.02 0.00 0.00 61.00 63.33 1j1j s PRO 80 Cb 0.00 -3.87 0.42 0.00 0.02 0.00 0.00 34.50 31.07 1j1j s PRO 80 CO -0.09 -0.83 1.20 0.00 -0.33 0.00 0.00 177.00 176.95 1j1j n ALA 81 N 6.63 0.24 1.16 -1.55 0.00 -1.26 0.23 120.51 125.96 1j1j n ALA 81 Ca 0.17 0.84 0.07 0.00 0.00 0.00 0.00 53.44 54.53 1j1j n ALA 81 Cb 0.41 -0.54 0.42 0.00 0.00 0.00 0.00 19.45 19.74 1j1j n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1j1j n GLU 82 N -5.21 0.58 -0.05 0.00 0.28 -1.26 -1.76 120.64 113.23 1j1j n GLU 82 Ca 0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.26 1j1j n GLU 82 Cb 0.45 -1.38 0.19 0.00 1.43 0.00 0.00 31.44 32.12 1j1j n GLU 82 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1j1j n GLN 83 N -0.88 2.28 -0.14 3.44 1.13 0.61 -4.66 117.38 119.16 1j1j n GLN 83 Ca 0.11 -1.88 -0.04 0.00 -1.94 0.00 0.00 57.00 53.25 1j1j n GLN 83 Cb 0.05 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 1j1j n GLN 83 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1j1j n TYR 84 N 1.22 -0.15 0.90 1.08 9.36 -0.72 0.19 117.16 129.03 1j1j n TYR 84 Ca 0.16 0.42 0.05 0.00 3.32 0.00 0.00 57.90 61.86 1j1j n TYR 84 Cb 0.56 -0.51 0.32 0.00 -0.63 0.00 0.00 39.34 39.08 1j1j n TYR 84 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1j1j n TYR 85 N -3.75 0.00 0.02 2.98 4.02 -1.26 0.84 117.16 120.01 1j1j n TYR 85 Ca 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1j1j n TYR 85 Cb 0.09 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.27 1j1j n TYR 85 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1j1j h ARG 86 N 0.00 0.23 -0.00 -0.72 2.43 -0.58 -3.38 114.38 112.35 1j1j h ARG 86 Ca 0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1j1j h ARG 86 Cb 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1j1j h ARG 86 CO 0.00 1.07 -0.52 1.19 -1.51 0.00 0.00 179.97 180.20 1j1j n PHE 87 N -3.40 0.00 -0.38 2.20 3.01 -0.75 -4.71 117.46 113.43 1j1j n PHE 87 Ca -0.26 0.00 0.34 0.00 1.01 0.00 0.00 57.45 58.54 1j1j n PHE 87 Cb 1.05 0.00 0.61 0.00 -0.01 0.00 0.00 39.48 41.14 1j1j n PHE 87 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1j1j h HIS 88 N 0.23 0.70 0.00 1.38 2.76 0.26 0.19 115.15 120.68 1j1j h HIS 88 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1j1j h HIS 88 Cb 0.31 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1j1j h HIS 88 CO 0.00 -0.36 0.00 0.39 -1.30 0.00 0.00 177.93 176.66 1j1j n GLU 89 N -5.01 0.13 0.11 5.26 1.02 -1.26 -2.10 120.64 118.78 1j1j n GLU 89 Ca 0.38 0.48 -0.03 0.00 -0.02 0.00 0.00 57.16 57.97 1j1j n GLU 89 Cb 1.37 -1.81 0.19 0.00 -0.02 0.00 0.00 31.44 31.17 1j1j n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j1j h HIS 90 N 0.00 0.20 -0.07 -0.32 3.86 -0.98 -3.26 115.15 114.58 1j1j h HIS 90 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1j1j h HIS 90 Cb 0.19 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1j1j h HIS 90 CO 0.00 0.65 0.00 -2.67 0.86 0.00 0.00 177.93 176.77 1j1j n TRP 91 N -3.93 0.13 0.02 2.45 4.27 -0.97 -4.74 117.44 114.67 1j1j n TRP 91 Ca -0.02 -0.63 -0.10 0.00 -3.89 0.00 0.00 57.50 52.86 1j1j n TRP 91 Cb 0.55 -0.09 -0.03 0.00 -1.36 0.00 0.00 31.31 30.38 1j1j n TRP 91 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1j1j h ARG 92 N 0.42 -0.30 -0.22 -2.67 2.43 -1.46 -0.25 114.38 112.33 1j1j h ARG 92 Ca 0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1j1j h ARG 92 Cb 0.70 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1j1j h ARG 92 CO 0.01 -0.20 -0.03 0.35 -1.51 0.00 0.00 179.97 178.59 1j1j h PHE 93 N -0.31 -0.07 -0.04 2.20 3.57 -1.85 -2.06 116.94 118.38 1j1j h PHE 93 Ca 0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 1j1j h PHE 93 Cb 0.44 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1j1j h PHE 93 CO -0.32 -0.07 -0.62 -0.24 -2.23 0.00 0.00 178.31 174.84 1j1j h VAL 94 N 0.03 1.41 -0.58 1.41 3.04 -1.85 -2.51 116.25 117.20 1j1j h VAL 94 Ca 0.11 -2.04 -0.09 0.00 -1.01 0.00 0.00 66.70 63.67 1j1j h VAL 94 Cb 0.15 2.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1j1j h VAL 94 CO -0.21 0.60 0.03 0.25 -1.01 0.00 0.00 177.57 177.23 1j1j h LEU 95 N 0.12 0.99 -0.86 3.16 6.46 -0.85 0.98 115.31 125.29 1j1j h LEU 95 Ca -0.01 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.37 1j1j h LEU 95 Cb 1.12 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1j1j h LEU 95 CO 0.09 1.04 -0.12 1.56 -0.62 0.00 0.00 178.44 180.39 1j1j h GLN 96 N 0.90 0.71 -0.39 1.25 4.20 -1.32 -0.64 115.11 119.82 1j1j h GLN 96 Ca 0.17 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1j1j h GLN 96 Cb 0.51 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1j1j h GLN 96 CO 0.02 0.81 -0.01 0.00 -0.67 0.00 0.00 178.83 178.98 1j1j h ARG 97 N 0.64 0.70 -0.60 1.46 2.47 -1.09 -1.52 114.38 116.45 1j1j h ARG 97 Ca 0.11 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1j1j h ARG 97 Cb 0.58 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 1j1j h ARG 97 CO 0.04 0.80 0.25 -0.07 0.56 0.00 0.00 179.97 181.54 1j1j h LEU 98 N 0.52 0.78 -0.21 3.04 3.38 -0.43 0.25 115.31 122.64 1j1j h LEU 98 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1j1j h LEU 98 Cb 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1j1j h LEU 98 CO 0.02 0.70 0.10 0.58 0.09 0.00 0.00 178.44 179.92 1j1j h VAL 99 N 0.85 1.14 -0.27 1.22 2.07 -0.89 0.11 116.25 120.49 1j1j h VAL 99 Ca 0.20 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1j1j h VAL 99 Cb 0.15 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1j1j h VAL 99 CO -0.02 0.14 0.04 0.15 0.02 0.00 0.00 177.57 177.90 1j1j h PHE 100 N 0.20 0.07 -0.53 1.57 3.57 -0.58 0.11 116.94 121.36 1j1j h PHE 100 Ca 0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1j1j h PHE 100 Cb 0.13 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1j1j h PHE 100 CO -0.02 0.01 0.22 -0.07 -2.23 0.00 0.00 178.31 176.22 1j1j h LEU 101 N 0.14 0.73 -0.33 0.59 3.38 -0.74 0.34 115.31 119.42 1j1j h LEU 101 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j1j h LEU 101 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1j1j h LEU 101 CO -0.17 0.70 0.20 0.00 0.09 0.00 0.00 178.44 179.26 1j1j h ALA 102 N 1.06 0.42 -0.68 1.53 0.00 -0.69 -0.14 119.26 120.76 1j1j h ALA 102 Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1j1j h ALA 102 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1j1j h ALA 102 CO -0.02 -0.10 0.21 0.00 0.00 0.00 0.00 179.25 179.34 1j1j h ALA 103 N 1.09 1.08 -0.34 0.00 0.00 -0.41 -1.32 119.26 119.36 1j1j h ALA 103 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1j1j h ALA 103 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1j1j h ALA 103 CO -0.02 0.63 0.12 0.35 0.00 0.00 0.00 179.25 180.32 1j1j h PHE 104 N 1.01 0.54 -0.73 0.00 3.57 0.18 0.17 116.94 121.68 1j1j h PHE 104 Ca 0.22 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1j1j h PHE 104 Cb 0.30 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1j1j h PHE 104 CO 0.02 0.52 0.31 -0.24 -2.23 0.00 0.00 178.31 176.69 1j1j h VAL 105 N 0.40 1.25 -0.35 1.41 3.04 -0.80 -0.79 116.25 120.41 1j1j h VAL 105 Ca 0.11 -0.76 -0.14 0.00 -1.01 0.00 0.00 66.70 64.90 1j1j h VAL 105 Cb 0.23 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1j1j h VAL 105 CO -0.01 0.31 -0.33 0.58 -1.01 0.00 0.00 177.57 177.11 1j1j h VAL 106 N 1.04 1.28 -0.35 1.51 2.07 -0.99 -2.81 116.25 118.01 1j1j h VAL 106 Ca 0.25 -1.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.14 1j1j h VAL 106 Cb 0.19 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1j1j h VAL 106 CO -0.02 0.49 -0.33 0.22 0.02 0.00 0.00 177.57 177.94 1j1j h TYR 107 N 0.66 0.91 -0.90 1.57 3.20 -0.35 -0.75 116.97 121.31 1j1j h TYR 107 Ca 0.07 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 1j1j h TYR 107 Cb 0.88 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1j1j h TYR 107 CO 0.05 1.00 0.55 -0.07 -1.64 0.00 0.00 178.16 178.05 1j1j h LEU 108 N 0.65 1.08 0.14 2.82 4.07 -1.09 0.80 115.31 123.78 1j1j h LEU 108 Ca 0.07 -0.06 -0.22 0.00 0.08 0.00 0.00 57.88 57.75 1j1j h LEU 108 Cb 0.87 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.36 1j1j h LEU 108 CO 0.08 0.82 -1.04 -0.08 -1.08 0.00 0.00 178.44 177.14 1j1j h GLU 109 N 1.24 0.29 0.00 1.13 4.81 -1.39 -3.41 114.58 117.25 1j1j h GLU 109 Ca 0.33 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1j1j h GLU 109 Cb -0.06 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1j1j h GLU 109 CO -0.06 1.24 -0.40 0.25 -0.73 0.00 0.00 179.01 179.31 1j1j n THR 110 N -4.05 0.00 -2.90 0.32 -2.24 -0.30 -5.01 114.28 100.11 1j1j n THR 110 Ca -0.18 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.07 1j1j n THR 110 Cb 0.86 0.91 0.03 0.00 -2.10 0.00 0.00 70.33 70.03 1j1j n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1j1j n GLU 111 N -1.21 -4.24 -4.51 -0.78 1.02 0.28 -5.00 120.64 106.20 1j1j n GLU 111 Ca 0.01 0.83 -0.24 0.00 -0.02 0.00 0.00 57.16 57.73 1j1j n GLU 111 Cb 0.09 -5.48 -0.10 0.00 -0.02 0.00 0.00 31.44 25.93 1j1j n GLU 111 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1j1j s THR 112 N -3.11 1.38 -0.35 2.62 -1.32 -1.26 -5.01 115.64 108.60 1j1j s THR 112 Ca 0.26 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.58 1j1j s THR 112 Cb -0.11 -2.81 -0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1j1j s THR 112 CO 0.32 0.00 0.39 -0.22 -2.21 0.00 0.00 174.62 172.90 1j1j s LEU 113 N -3.57 4.44 0.38 9.08 2.96 -1.26 -3.92 118.68 126.79 1j1j s LEU 113 Ca 0.34 -0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.77 1j1j s LEU 113 Cb 0.09 -2.39 -0.11 0.00 0.50 0.00 0.00 46.19 44.27 1j1j s LEU 113 CO 0.16 -0.38 1.24 0.55 -1.32 0.00 0.00 176.35 176.60 1j1j n VAL 114 N 5.28 2.25 -2.08 1.68 3.14 -1.26 -4.96 118.33 122.39 1j1j n VAL 114 Ca -0.08 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.48 1j1j n VAL 114 Cb 0.49 -1.49 -0.00 0.00 -1.06 0.00 0.00 33.84 31.78 1j1j n VAL 114 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1j1j s THR 115 N -1.15 4.31 0.34 1.55 2.01 -1.26 -4.90 115.64 116.54 1j1j s THR 115 Ca 0.58 0.97 0.04 0.00 0.31 0.00 0.00 61.69 63.60 1j1j s THR 115 Cb -0.55 -3.62 0.29 0.00 0.01 0.00 0.00 72.50 68.62 1j1j s THR 115 CO 0.60 -0.77 1.95 -0.09 -0.69 0.00 0.00 174.62 175.63 1j1j h ARG 116 N 0.29 0.82 0.00 4.92 2.43 -2.00 -1.17 114.38 119.68 1j1j h ARG 116 Ca -0.46 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 1j1j h ARG 116 Cb 1.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1j1j h ARG 116 CO 0.60 0.54 -0.50 1.05 -1.51 0.00 0.00 179.97 180.15 1j1j h GLU 117 N 0.85 0.00 -0.14 0.20 4.11 -1.97 -2.87 114.58 114.76 1j1j h GLU 117 Ca 0.32 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.62 1j1j h GLU 117 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1j1j h GLU 117 CO -0.11 0.37 -0.48 0.00 0.07 0.00 0.00 179.01 178.87 1j1j h ALA 118 N 1.60 0.93 -0.64 1.06 0.00 -1.67 -2.31 119.26 118.23 1j1j h ALA 118 Ca -0.02 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1j1j h ALA 118 Cb 1.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1j1j h ALA 118 CO 0.05 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.29 1j1j h VAL 119 N 0.28 1.26 -0.71 0.00 2.07 -1.18 -2.27 116.25 115.71 1j1j h VAL 119 Ca 0.02 -1.08 0.10 0.00 0.82 0.00 0.00 66.70 66.55 1j1j h VAL 119 Cb 0.95 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1j1j h VAL 119 CO 0.08 0.40 0.35 0.74 0.02 0.00 0.00 177.57 179.16 1j1j h THR 120 N 1.00 0.84 -0.34 2.57 2.02 -1.22 -0.71 112.91 117.07 1j1j h THR 120 Ca 0.19 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 1j1j h THR 120 Cb 0.49 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1j1j h THR 120 CO 0.02 0.11 -0.35 -0.33 0.37 0.00 0.00 175.52 175.34 1j1j h GLU 121 N 0.59 0.77 -0.57 6.66 5.08 -1.11 -0.05 114.58 125.96 1j1j h GLU 121 Ca 0.35 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1j1j h GLU 121 Cb 0.38 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1j1j h GLU 121 CO -0.28 1.00 0.11 0.82 -1.00 0.00 0.00 179.01 179.66 1j1j h ILE 122 N 0.65 1.25 -0.00 3.13 2.04 -0.83 -2.61 117.51 121.14 1j1j h ILE 122 Ca 0.06 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1j1j h ILE 122 Cb 0.89 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1j1j h ILE 122 CO 0.08 0.35 -0.03 0.18 0.00 0.00 0.00 178.15 178.72 1j1j n LEU 123 N -4.35 0.28 -0.20 1.44 4.77 -0.33 -4.81 117.00 113.81 1j1j n LEU 123 Ca 0.03 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1j1j n LEU 123 Cb 0.26 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1j1j n LEU 123 CO 0.41 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.11 1j1j n GLY 124 N 1.18 0.45 3.94 -0.72 0.00 -0.64 -4.29 105.19 105.11 1j1j n GLY 124 Ca 0.18 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1j1j n GLY 124 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j1j s ILE 125 N -1.65 2.02 -0.07 -0.61 2.07 -0.13 -4.91 121.20 117.93 1j1j s ILE 125 Ca 0.00 -0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 59.05 1j1j s ILE 125 Cb 0.00 -2.92 -0.05 0.00 0.13 0.00 0.00 42.46 39.62 1j1j s ILE 125 CO 0.00 0.00 0.24 -1.61 -1.91 0.00 0.00 174.94 171.66 1j1j s GLU 126 N -5.75 3.60 0.78 3.50 8.01 -0.26 -4.50 118.70 124.08 1j1j s GLU 126 Ca 0.72 0.04 -0.14 0.00 0.01 0.00 0.00 54.97 55.60 1j1j s GLU 126 Cb -0.04 -3.18 0.07 0.00 -4.31 0.00 0.00 34.13 26.66 1j1j s GLU 126 CO 0.51 0.74 1.22 -2.14 0.01 0.00 0.00 175.26 175.60 1j1j s PRO 127 N -1.15 1.75 0.00 0.39 0.02 -1.26 -4.35 135.00 130.40 1j1j s PRO 127 Ca 0.19 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1j1j s PRO 127 Cb -0.14 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1j1j s PRO 127 CO 0.08 -2.14 0.00 -3.47 -0.33 0.00 0.00 177.00 171.14 1j1j n ASP 128 N -3.10 0.00 -2.80 2.53 2.03 -1.26 -2.27 116.55 111.69 1j1j n ASP 128 Ca 0.14 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.35 1j1j n ASP 128 Cb 0.50 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.97 1j1j n ASP 128 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1j1j n ARG 129 N -0.28 1.03 -0.65 -0.67 5.12 -1.26 -4.93 116.66 115.01 1j1j n ARG 129 Ca 0.00 -2.17 -0.01 0.00 -1.93 0.00 0.00 57.85 53.74 1j1j n ARG 129 Cb 0.00 -1.06 -0.01 0.00 -1.16 0.00 0.00 32.46 30.23 1j1j n ARG 129 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1j1j n GLU 130 N 0.26 0.00 -2.07 5.56 2.13 -0.96 -5.12 120.64 120.44 1j1j n GLU 130 Ca 0.08 -0.55 -0.00 0.00 0.66 0.00 0.00 57.16 57.35 1j1j n GLU 130 Cb 0.71 -0.04 -0.00 0.00 0.27 0.00 0.00 31.44 32.38 1j1j n GLU 130 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1j1j n LYS 131 N 0.04 -0.45 0.00 5.31 5.02 -1.26 -4.91 118.16 121.91 1j1j n LYS 131 Ca -0.04 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1j1j n LYS 131 Cb 0.63 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 1j1j n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j1j n GLY 132 N 2.01 -0.20 3.68 0.72 0.00 -1.26 -5.02 105.19 105.12 1j1j n GLY 132 Ca -0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1j1j n GLY 132 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j1j s PHE 133 N -4.00 3.42 0.34 1.61 5.36 -1.26 -4.96 117.98 118.49 1j1j s PHE 133 Ca 0.00 1.51 0.09 0.00 -0.96 0.00 0.00 56.93 57.57 1j1j s PHE 133 Cb 0.00 -3.24 -0.05 0.00 -0.34 0.00 0.00 43.02 39.39 1j1j s PHE 133 CO 0.00 -0.45 0.03 -1.01 -1.46 0.00 0.00 175.22 172.33 1j1j s HIS 134 N 2.34 2.57 -0.52 10.12 3.76 -1.26 -1.10 115.29 131.20 1j1j s HIS 134 Ca 0.48 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.85 1j1j s HIS 134 Cb -0.18 -1.49 0.13 0.00 1.11 0.00 0.00 32.58 32.14 1j1j s HIS 134 CO 0.16 0.47 0.43 -1.17 -0.85 0.00 0.00 174.74 173.77 1j1j s LEU 135 N -3.73 5.93 0.59 0.89 0.20 -1.26 -4.99 118.68 116.31 1j1j s LEU 135 Ca 0.35 -1.94 -0.18 0.00 0.69 0.00 0.00 54.13 53.05 1j1j s LEU 135 Cb -0.01 -2.09 -0.06 0.00 -0.43 0.00 0.00 46.19 43.60 1j1j s LEU 135 CO 0.20 -0.74 0.78 -0.67 -0.29 0.00 0.00 176.35 175.62 1j1j n ASP 136 N 4.94 -0.00 0.02 3.68 2.03 -1.26 -4.86 116.55 121.10 1j1j n ASP 136 Ca -0.09 0.77 -0.08 0.00 0.52 0.00 0.00 54.79 55.92 1j1j n ASP 136 Cb 0.41 -1.30 0.09 0.00 -0.72 0.00 0.00 41.12 39.60 1j1j n ASP 136 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1j1j h VAL 137 N 0.37 1.33 0.00 5.18 2.07 -1.99 -2.51 116.25 120.70 1j1j h VAL 137 Ca -0.47 -1.78 -0.10 0.00 0.82 0.00 0.00 66.70 65.17 1j1j h VAL 137 Cb 1.38 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1j1j h VAL 137 CO 0.49 0.55 -0.46 1.05 0.02 0.00 0.00 177.57 179.21 1j1j h GLU 138 N 0.37 0.00 0.03 1.57 9.09 -1.99 -2.00 114.58 121.65 1j1j h GLU 138 Ca 0.01 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.20 1j1j h GLU 138 Cb 1.05 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.14 1j1j h GLU 138 CO 0.10 0.46 -0.97 -0.44 0.05 0.00 0.00 179.01 178.21 1j1j h ASP 139 N 0.00 0.32 0.28 3.06 3.32 -1.92 -1.96 116.42 119.51 1j1j h ASP 139 Ca -0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1j1j h ASP 139 Cb 0.99 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1j1j h ASP 139 CO 0.06 1.12 -0.13 0.22 -1.72 0.00 0.00 179.24 178.79 1j1j h TYR 140 N 0.11 -0.35 -0.32 4.55 3.20 -1.29 -2.03 116.97 120.84 1j1j h TYR 140 Ca -0.07 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1j1j h TYR 140 Cb 1.64 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 1j1j h TYR 140 CO 0.04 -0.08 0.21 -0.07 -1.64 0.00 0.00 178.16 176.63 1j1j h LEU 141 N -0.58 0.35 -0.49 2.82 3.38 -1.40 -0.91 115.31 118.47 1j1j h LEU 141 Ca -0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1j1j h LEU 141 Cb 0.42 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1j1j h LEU 141 CO 0.06 0.25 -0.06 0.28 0.09 0.00 0.00 178.44 179.06 1j1j h SER 142 N 0.41 0.91 -0.73 -0.43 0.02 -1.23 -1.70 113.55 110.80 1j1j h SER 142 Ca 0.12 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1j1j h SER 142 Cb -0.01 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1j1j h SER 142 CO -0.03 1.03 0.30 1.23 -1.14 0.00 0.00 176.83 178.22 1j1j h GLY 143 N 0.77 1.17 1.54 -3.77 0.00 -0.48 -1.75 103.07 100.56 1j1j h GLY 143 Ca 0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1j1j h GLY 143 CO 0.04 0.60 0.03 -2.08 0.00 0.00 0.00 176.54 175.13 1j1j h VAL 144 N 1.05 1.20 -0.45 4.60 2.07 -0.97 -0.89 116.25 122.85 1j1j h VAL 144 Ca 0.24 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1j1j h VAL 144 Cb 0.21 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1j1j h VAL 144 CO -0.02 0.27 -0.23 -0.07 0.02 0.00 0.00 177.57 177.53 1j1j h LEU 145 N 0.55 0.96 -1.05 2.57 3.38 -0.72 -1.10 115.31 119.90 1j1j h LEU 145 Ca 0.12 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1j1j h LEU 145 Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1j1j h LEU 145 CO 0.01 1.14 0.08 0.40 0.09 0.00 0.00 178.44 180.16 1j1j h ILE 146 N 0.80 1.22 0.17 1.22 2.04 -0.87 -2.40 117.51 119.70 1j1j h ILE 146 Ca 0.10 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1j1j h ILE 146 Cb 0.80 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1j1j h ILE 146 CO 0.07 0.30 -0.15 0.25 0.00 0.00 0.00 178.15 178.63 1j1j h LEU 147 N 0.72 -0.38 -0.68 1.44 6.46 -0.61 -1.80 115.31 120.47 1j1j h LEU 147 Ca 0.16 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1j1j h LEU 147 Cb 0.33 0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 40.28 1j1j h LEU 147 CO 0.00 -0.22 0.11 0.00 -0.62 0.00 0.00 178.44 177.71 1j1j h ALA 148 N 0.48 0.80 -0.88 1.25 0.00 -0.75 0.16 119.26 120.32 1j1j h ALA 148 Ca -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1j1j h ALA 148 Cb 0.30 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1j1j h ALA 148 CO -0.02 -0.35 0.49 0.77 0.00 0.00 0.00 179.25 180.13 1j1j h SER 149 N 0.22 1.10 -0.57 0.00 0.02 -1.14 -0.74 113.55 112.43 1j1j h SER 149 Ca 0.37 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1j1j h SER 149 Cb 0.61 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1j1j h SER 149 CO -0.50 0.88 0.14 -0.08 -1.14 0.00 0.00 176.83 176.12 1j1j h GLU 150 N 1.23 0.92 -0.39 3.45 4.57 0.06 -2.70 114.58 121.72 1j1j h GLU 150 Ca 0.31 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 1j1j h GLU 150 Cb 0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1j1j h GLU 150 CO -0.05 0.86 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.41 1j1j h LEU 151 N 0.83 0.71 -0.47 1.64 4.07 -0.39 -0.27 115.31 121.43 1j1j h LEU 151 Ca 0.18 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1j1j h LEU 151 Cb 0.35 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1j1j h LEU 151 CO 0.00 0.88 0.25 0.28 -1.08 0.00 0.00 178.44 178.78 1j1j h SER 152 N 0.64 0.60 -0.70 -0.43 0.02 -1.03 -1.25 113.55 111.41 1j1j h SER 152 Ca 0.10 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1j1j h SER 152 Cb 0.63 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1j1j h SER 152 CO 0.04 0.53 0.25 -0.09 -1.14 0.00 0.00 176.83 176.42 1j1j h ARG 153 N 0.62 1.08 -0.75 3.45 2.43 -1.17 -2.98 114.38 117.07 1j1j h ARG 153 Ca 0.17 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1j1j h ARG 153 Cb 0.08 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1j1j h ARG 153 CO -0.02 0.91 0.28 1.25 -1.51 0.00 0.00 179.97 180.87 1j1j h LEU 154 N 1.05 1.04 -1.35 3.80 6.46 -0.45 -2.55 115.31 123.31 1j1j h LEU 154 Ca 0.23 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1j1j h LEU 154 Cb 0.26 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1j1j h LEU 154 CO -0.01 0.94 0.23 0.77 -0.62 0.00 0.00 178.44 179.75 1j1j h SER 155 N 1.10 0.60 -0.06 1.25 4.64 -1.09 0.37 113.55 120.36 1j1j h SER 155 Ca 0.25 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1j1j h SER 155 Cb 0.24 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1j1j h SER 155 CO -0.02 0.52 -0.06 0.58 -0.87 0.00 0.00 176.83 176.98 1j1j h VAL 156 N 0.68 1.37 0.00 0.95 2.07 -1.47 -3.04 116.25 116.81 1j1j h VAL 156 Ca 0.17 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1j1j h VAL 156 Cb 0.07 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1j1j h VAL 156 CO -0.02 0.33 -0.20 0.78 0.02 0.00 0.00 177.57 178.48 1j1j h ASN 157 N -0.30 0.00 -0.53 0.57 2.35 -1.06 -2.64 115.58 113.98 1j1j h ASN 157 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1j1j h ASN 157 Cb 0.57 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1j1j h ASN 157 CO 0.01 0.20 0.31 -1.28 -1.65 0.00 0.00 177.43 175.03 1j1j h SER 158 N 0.00 0.63 -0.58 5.81 0.87 -0.19 -0.03 113.55 120.07 1j1j h SER 158 Ca -0.00 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1j1j h SER 158 Cb 0.38 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1j1j h SER 158 CO 0.03 0.51 0.23 0.58 -0.53 0.00 0.00 176.83 177.65 1j1j h VAL 159 N 0.71 1.23 -0.48 2.23 2.07 -1.37 0.54 116.25 121.17 1j1j h VAL 159 Ca 0.19 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1j1j h VAL 159 Cb -0.01 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1j1j h VAL 159 CO -0.03 0.27 0.32 0.74 0.02 0.00 0.00 177.57 178.89 1j1j h THR 160 N 0.79 1.03 -0.00 2.57 2.02 -1.21 0.14 112.91 118.26 1j1j h THR 160 Ca 0.19 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1j1j h THR 160 Cb 0.20 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1j1j h THR 160 CO -0.02 0.09 -0.01 0.00 0.37 0.00 0.00 175.52 175.96 1j1j n ALA 161 N -2.49 2.65 -0.50 6.16 0.00 -0.08 -4.88 120.51 121.37 1j1j n ALA 161 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1j1j n ALA 161 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1j1j n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j1j n GLY 162 N 1.08 0.73 3.28 0.00 0.00 0.04 -0.02 105.19 110.30 1j1j n GLY 162 Ca 0.21 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1j1j n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j1j s ASP 163 N -2.13 5.60 0.00 1.61 3.68 0.08 -4.93 116.67 120.58 1j1j s ASP 163 Ca 0.00 -1.42 0.21 0.00 2.13 0.00 0.00 52.55 53.47 1j1j s ASP 163 Cb 0.00 -1.97 0.59 0.00 -1.45 0.00 0.00 42.92 40.09 1j1j s ASP 163 CO 0.00 -0.50 1.49 -1.22 0.13 0.00 0.00 175.17 175.08 1j1j n TYR 164 N 4.91 0.89 -0.12 -5.34 4.02 -1.26 -3.53 117.16 116.72 1j1j n TYR 164 Ca -0.10 -0.44 -0.25 0.00 -0.01 0.00 0.00 57.90 57.09 1j1j n TYR 164 Cb 0.43 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 1j1j n TYR 164 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1j1j n SER 165 N 1.47 1.77 -0.29 7.72 2.88 -1.26 -4.60 113.62 121.32 1j1j n SER 165 Ca 0.22 0.31 0.09 0.00 -1.33 0.00 0.00 58.87 58.16 1j1j n SER 165 Cb 0.57 -0.74 0.22 0.00 -0.75 0.00 0.00 64.21 63.51 1j1j n SER 165 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1j1j h ARG 166 N -0.90 0.11 -0.66 -1.46 2.43 -1.98 0.19 114.38 112.10 1j1j h ARG 166 Ca -0.58 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.69 1j1j h ARG 166 Cb 1.50 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.98 1j1j h ARG 166 CO -0.35 0.07 0.44 -1.35 -1.51 0.00 0.00 179.97 177.27 1j1j h PRO 167 N 0.11 0.42 0.00 0.20 0.11 -1.82 -0.10 132.00 130.93 1j1j h PRO 167 Ca 0.49 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.44 1j1j h PRO 167 Cb 0.93 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1j1j h PRO 167 CO -0.72 0.28 -0.64 -0.07 -0.21 0.00 0.00 178.00 176.64 1j1j h LEU 168 N 0.43 0.00 -0.03 2.35 -0.00 -1.21 -1.16 115.31 115.70 1j1j h LEU 168 Ca 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.16 1j1j h LEU 168 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1j1j h LEU 168 CO -0.09 0.64 -0.10 0.45 -0.00 0.00 0.00 178.44 179.34 1j1j h HIS 169 N 0.00 0.15 -0.45 1.13 3.86 -0.92 -2.90 115.15 116.02 1j1j h HIS 169 Ca -0.01 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1j1j h HIS 169 Cb 1.18 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 1j1j h HIS 169 CO 0.00 0.73 0.20 0.82 0.86 0.00 0.00 177.93 180.54 1j1j h ILE 170 N -0.47 0.93 -0.14 2.45 2.04 -1.08 -1.74 117.51 119.50 1j1j h ILE 170 Ca -0.00 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1j1j h ILE 170 Cb 0.74 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1j1j h ILE 170 CO 0.02 0.07 -0.29 -1.28 0.00 0.00 0.00 178.15 176.68 1j1j h SER 171 N 0.41 -0.89 -0.60 1.72 0.87 -1.24 0.17 113.55 113.99 1j1j h SER 171 Ca 0.20 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.94 1j1j h SER 171 Cb 0.14 0.39 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 1j1j h SER 171 CO -0.17 -0.33 0.33 0.74 -0.53 0.00 0.00 176.83 176.88 1j1j h THR 172 N -0.35 0.99 -0.41 2.23 2.02 -1.27 -1.75 112.91 114.35 1j1j h THR 172 Ca 0.10 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1j1j h THR 172 Cb 0.51 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1j1j h THR 172 CO -0.34 0.12 0.22 0.15 0.37 0.00 0.00 175.52 176.04 1j1j h PHE 173 N 0.64 0.58 0.00 3.16 3.57 -0.62 -2.41 116.94 121.86 1j1j h PHE 173 Ca 0.26 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 1j1j h PHE 173 Cb 0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1j1j h PHE 173 CO -0.08 0.45 -0.35 0.82 -2.23 0.00 0.00 178.31 176.93 1j1j h ILE 174 N 0.53 1.00 -0.09 1.41 2.04 -0.34 -2.05 117.51 120.01 1j1j h ILE 174 Ca 0.14 -1.31 -0.18 0.00 1.00 0.00 0.00 64.86 64.52 1j1j h ILE 174 Cb 0.07 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1j1j h ILE 174 CO -0.02 0.34 -0.71 0.78 0.00 0.00 0.00 178.15 178.54 1j1j h ASN 175 N 0.00 0.51 0.04 1.72 2.35 -1.10 -2.00 115.58 117.09 1j1j h ASN 175 Ca -0.00 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1j1j h ASN 175 Cb 0.73 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1j1j h ASN 175 CO 0.05 1.06 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.53 1j1j h GLU 176 N 0.30 -0.05 -0.74 0.81 5.08 -1.09 -0.22 114.58 118.66 1j1j h GLU 176 Ca -0.03 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1j1j h GLU 176 Cb 1.28 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 1j1j h GLU 176 CO 0.12 0.15 0.36 -0.07 -1.00 0.00 0.00 179.01 178.57 1j1j h LEU 177 N -0.25 0.43 -1.18 1.33 3.38 -1.33 0.23 115.31 117.92 1j1j h LEU 177 Ca -0.01 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1j1j h LEU 177 Cb 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1j1j h LEU 177 CO 0.01 0.22 0.10 -0.78 0.09 0.00 0.00 178.44 178.09 1j1j h ASP 178 N 0.57 0.62 -0.17 -0.43 1.82 -1.08 -0.80 116.42 116.96 1j1j h ASP 178 Ca 0.38 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1j1j h ASP 178 Cb 0.47 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1j1j h ASP 178 CO -0.31 0.63 0.09 0.28 -1.61 0.00 0.00 179.24 178.31 1j1j h SER 179 N 0.66 0.22 -0.01 2.28 0.02 0.12 -2.97 113.55 113.87 1j1j h SER 179 Ca 0.15 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1j1j h SER 179 Cb 0.26 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1j1j h SER 179 CO -0.00 0.26 0.00 1.23 -1.14 0.00 0.00 176.83 177.18 1j1j h GLY 180 N 0.17 0.01 1.60 -3.77 0.00 -0.51 -2.70 103.07 97.86 1j1j h GLY 180 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1j1j h GLY 180 CO -0.01 0.01 0.18 0.74 0.00 0.00 0.00 176.54 177.46 1j1j h PHE 181 N -0.15 0.00 0.00 5.60 0.04 -1.14 0.20 116.94 121.49 1j1j h PHE 181 Ca 0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1j1j h PHE 181 Cb 0.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1j1j h PHE 181 CO -0.02 0.00 -1.34 0.00 -0.60 0.00 0.00 178.31 176.34 1j1j h ARG 182 N 0.00 0.00 -0.15 1.51 3.08 -1.32 -3.27 114.38 114.23 1j1j h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j1j h ARG 182 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1j1j h ARG 182 CO 0.00 0.36 0.00 1.28 -1.07 0.00 0.00 179.97 180.54 1j1j n LEU 183 N -2.96 0.84 -4.47 3.04 4.77 0.68 -4.82 117.00 114.08 1j1j n LEU 183 Ca -0.09 -0.41 -0.32 0.00 -0.03 0.00 0.00 56.01 55.16 1j1j n LEU 183 Cb 0.86 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.72 1j1j n LEU 183 CO 0.43 0.20 -0.47 -0.76 -1.33 0.00 0.00 177.39 175.47 1j1j s LEU 184 N -1.09 2.67 -1.06 2.23 1.43 -1.11 -5.07 118.68 116.69 1j1j s LEU 184 Ca 0.14 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1j1j s LEU 184 Cb 0.07 -1.55 0.25 0.00 0.03 0.00 0.00 46.19 44.99 1j1j s LEU 184 CO 0.10 0.30 1.07 0.20 0.23 0.00 0.00 176.35 178.25 1j1j s ASN 185 N -1.06 7.16 -0.21 2.29 -0.87 -1.26 -5.00 114.94 115.99 1j1j s ASN 185 Ca 0.13 -3.30 -0.29 0.00 -1.57 0.00 0.00 52.86 47.83 1j1j s ASN 185 Cb -0.11 -2.23 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1j1j s ASN 185 CO 0.03 -0.41 1.04 -0.76 -2.57 0.00 0.00 177.10 174.42 1j1j s LEU 186 N -0.57 4.12 0.00 0.60 1.43 -1.26 -4.88 118.68 118.11 1j1j s LEU 186 Ca 0.29 1.41 0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1j1j s LEU 186 Cb -0.09 -3.54 0.24 0.00 0.03 0.00 0.00 46.19 42.83 1j1j s LEU 186 CO -0.08 -0.64 1.13 2.29 0.23 0.00 0.00 176.35 179.29 1j1j n LYS 187 N 6.14 2.11 -3.13 1.70 0.00 -1.26 -4.84 118.16 118.88 1j1j n LYS 187 Ca 0.12 -1.78 -0.43 0.00 -0.00 0.00 0.00 58.31 56.22 1j1j n LYS 187 Cb 0.46 -1.26 -0.07 0.00 -0.00 0.00 0.00 35.03 34.16 1j1j n LYS 187 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1j1j s ASN 188 N -0.99 6.32 0.32 -5.58 0.01 -1.26 -4.95 114.94 108.81 1j1j s ASN 188 Ca 0.21 -0.33 0.08 0.00 -0.71 0.00 0.00 52.86 52.11 1j1j s ASN 188 Cb 0.12 -2.31 0.93 0.00 0.41 0.00 0.00 41.25 40.40 1j1j s ASN 188 CO 0.16 -0.74 1.61 -0.78 -1.51 0.00 0.00 177.10 175.84 1j1j h ASP 189 N 8.82 0.00 -0.31 -1.22 -0.00 -2.00 0.12 116.42 121.83 1j1j h ASP 189 Ca -0.26 0.24 -0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1j1j h ASP 189 Cb 1.10 0.32 -0.02 0.00 -0.00 0.00 0.00 39.33 40.73 1j1j h ASP 189 CO 0.88 -0.28 0.19 0.28 -0.00 0.00 0.00 179.24 180.31 1j1j h SER 190 N 0.11 0.37 0.11 2.28 0.02 -2.00 -2.31 113.55 112.13 1j1j h SER 190 Ca 0.67 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.57 1j1j h SER 190 Cb 1.51 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1j1j h SER 190 CO -0.76 0.30 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.11 1j1j h LEU 191 N 0.41 -0.12 -0.49 5.07 3.38 -1.16 -1.24 115.31 121.15 1j1j h LEU 191 Ca 0.11 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1j1j h LEU 191 Cb -0.01 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1j1j h LEU 191 CO -0.02 -0.06 -0.02 0.03 0.09 0.00 0.00 178.44 178.46 1j1j h ARG 192 N -0.18 0.09 -0.08 1.13 -0.00 -1.35 0.52 114.38 114.51 1j1j h ARG 192 Ca -0.02 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.50 1j1j h ARG 192 Cb 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 29.97 30.04 1j1j h ARG 192 CO 0.02 0.06 -0.22 -0.22 0.00 0.00 0.00 179.97 179.61 1j1j h LYS 193 N 0.09 -0.30 -0.23 0.04 3.64 -1.16 0.32 116.57 118.97 1j1j h LYS 193 Ca 0.25 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1j1j h LYS 193 Cb 0.37 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1j1j h LYS 193 CO -0.43 -0.20 0.12 0.00 -2.27 0.00 0.00 179.45 176.67 1j1j h ARG 194 N -0.31 0.24 -0.21 1.90 3.08 -0.07 -2.06 114.38 116.96 1j1j h ARG 194 Ca 0.08 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1j1j h ARG 194 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1j1j h ARG 194 CO -0.26 0.16 0.14 -0.92 -1.07 0.00 0.00 179.97 178.03 1j1j h TYR 195 N 0.25 0.10 0.00 3.04 3.20 0.42 0.22 116.97 124.20 1j1j h TYR 195 Ca 0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1j1j h TYR 195 Cb 0.02 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1j1j h TYR 195 CO -0.09 0.06 -0.06 0.22 -1.64 0.00 0.00 178.16 176.65 1j1j h ASP 196 N 0.11 0.00 0.24 -2.11 1.82 -0.19 -1.51 116.42 114.78 1j1j h ASP 196 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1j1j h ASP 196 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1j1j h ASP 196 CO -0.01 0.06 -0.10 0.61 -1.61 0.00 0.00 179.24 178.18 1j1j n GLY 197 N -0.97 -0.74 0.20 -0.78 0.00 0.06 -3.87 105.19 99.09 1j1j n GLY 197 Ca -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1j1j n GLY 197 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j1j h LEU 198 N 0.90 0.00 -0.86 0.99 5.85 -1.33 -3.07 115.31 117.79 1j1j h LEU 198 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1j1j h LEU 198 Cb 0.37 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1j1j h LEU 198 CO 0.00 0.33 0.56 0.07 -0.34 0.00 0.00 178.44 179.06 1j1j h LYS 199 N 0.00 1.07 -0.77 1.25 2.10 -1.75 -0.43 116.57 118.03 1j1j h LYS 199 Ca -0.00 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1j1j h LYS 199 Cb 0.73 -0.24 -0.04 0.00 -0.90 0.00 0.00 32.23 31.79 1j1j h LYS 199 CO 0.04 0.71 0.44 -0.92 -2.00 0.00 0.00 179.45 177.72 1j1j h TYR 200 N 1.10 1.04 -0.60 0.07 3.20 -1.81 0.17 116.97 120.14 1j1j h TYR 200 Ca 0.34 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 1j1j h TYR 200 Cb -0.03 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 1j1j h TYR 200 CO -0.02 0.71 0.06 -0.44 -1.64 0.00 0.00 178.16 176.83 1j1j h ASP 201 N 1.06 0.99 0.45 -2.11 3.32 -1.44 -0.96 116.42 117.72 1j1j h ASP 201 Ca 0.27 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1j1j h ASP 201 Cb -0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1j1j h ASP 201 CO -0.05 1.02 -0.47 0.58 -1.72 0.00 0.00 179.24 178.60 1j1j h VAL 202 N 0.92 1.34 -0.19 -1.35 2.07 -0.71 -2.48 116.25 115.84 1j1j h VAL 202 Ca 0.18 -1.63 -0.12 0.00 0.82 0.00 0.00 66.70 65.95 1j1j h VAL 202 Cb 0.48 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1j1j h VAL 202 CO 0.02 0.47 -0.36 0.50 0.02 0.00 0.00 177.57 178.21 1j1j h LYS 203 N 0.03 0.59 -0.89 1.57 1.63 -0.63 -2.56 116.57 116.31 1j1j h LYS 203 Ca -0.00 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1j1j h LYS 203 Cb 0.84 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 1j1j h LYS 203 CO 0.06 0.98 0.54 -0.22 -3.45 0.00 0.00 179.45 177.36 1j1j h LYS 204 N 0.26 1.20 0.00 1.90 3.64 -1.03 -2.51 116.57 120.03 1j1j h LYS 204 Ca 0.01 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1j1j h LYS 204 Cb 0.96 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1j1j h LYS 204 CO 0.08 0.84 -0.40 0.28 -2.27 0.00 0.00 179.45 177.98 1j1j h VAL 205 N 1.22 0.92 -0.22 2.00 2.07 -1.43 -3.06 116.25 117.75 1j1j h VAL 205 Ca 0.32 -1.62 -0.19 0.00 0.82 0.00 0.00 66.70 66.03 1j1j h VAL 205 Cb -0.05 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1j1j h VAL 205 CO -0.06 0.39 -0.60 1.05 0.02 0.00 0.00 177.57 178.37 1j1j h GLU 206 N 0.00 0.79 -0.57 1.57 -0.00 -1.04 -2.35 114.58 112.98 1j1j h GLU 206 Ca -0.00 -0.56 0.06 0.00 -0.00 0.00 0.00 59.36 58.86 1j1j h GLU 206 Cb 0.95 0.09 -0.05 0.00 -0.00 0.00 0.00 28.75 29.73 1j1j h GLU 206 CO 0.05 1.18 0.27 0.93 -0.00 0.00 0.00 179.01 181.45 1j1j h GLU 207 N 0.53 0.50 0.27 1.06 5.08 -1.38 0.21 114.58 120.84 1j1j h GLU 207 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1j1j h GLU 207 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1j1j h GLU 207 CO 0.13 0.33 -0.13 0.28 -1.00 0.00 0.00 179.01 178.62 1j1j h VAL 208 N 0.51 0.77 -0.78 3.13 2.07 -1.50 0.21 116.25 120.66 1j1j h VAL 208 Ca 0.26 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1j1j h VAL 208 Cb 0.22 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 1j1j h VAL 208 CO -0.21 0.05 0.37 0.58 0.02 0.00 0.00 177.57 178.39 1j1j h VAL 209 N -0.48 0.73 -0.00 2.57 2.07 -1.09 0.51 116.25 120.55 1j1j h VAL 209 Ca -0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1j1j h VAL 209 Cb 0.36 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1j1j h VAL 209 CO 0.06 0.10 0.00 0.22 0.02 0.00 0.00 177.57 177.97 1j1j h TYR 210 N 0.55 0.00 -0.97 1.57 3.20 -0.20 -0.07 116.97 121.05 1j1j h TYR 210 Ca 0.42 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.39 1j1j h TYR 210 Cb 0.58 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 1j1j h TYR 210 CO -0.12 0.15 0.61 -0.44 -1.64 0.00 0.00 178.16 176.71 1j1j h ASP 211 N -0.15 0.91 0.04 -2.11 3.32 0.45 -1.53 116.42 117.36 1j1j h ASP 211 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1j1j h ASP 211 Cb 0.15 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j1j h ASP 211 CO -0.00 0.51 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.94 1j1j h LEU 212 N 1.00 -0.05 -0.14 1.55 4.07 -0.65 -3.10 115.31 118.00 1j1j h LEU 212 Ca 0.47 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 58.13 1j1j h LEU 212 Cb 0.39 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1j1j h LEU 212 CO -0.24 0.32 -0.22 0.28 -1.08 0.00 0.00 178.44 177.50 1j1j h SER 213 N -0.43 -0.68 -1.00 -0.43 0.02 -0.59 2.03 113.55 112.47 1j1j h SER 213 Ca -0.01 0.11 0.25 0.00 -0.84 0.00 0.00 61.79 61.31 1j1j h SER 213 Cb 0.39 0.31 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 1j1j h SER 213 CO 0.01 -0.27 0.67 0.40 -1.14 0.00 0.00 176.83 176.50 1j1j h ILE 214 N -0.27 0.56 -0.58 3.27 5.03 -1.34 0.51 117.51 124.69 1j1j h ILE 214 Ca 0.10 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1j1j h ILE 214 Cb 0.43 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 34.43 1j1j h ILE 214 CO -0.30 0.06 0.00 0.54 -0.68 0.00 0.00 178.15 177.77 1j1j n ARG 215 N -4.51 3.22 -1.06 2.37 1.74 -0.69 -4.89 116.66 112.85 1j1j n ARG 215 Ca 0.23 -2.45 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 1j1j n ARG 215 Cb 0.87 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1j1j n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j1j n GLY 216 N 1.12 1.07 3.91 -0.13 0.00 0.18 -5.07 105.19 106.27 1j1j n GLY 216 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1j1j n GLY 216 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01