#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 6.11 0.39 7.83 1.04 -1.26 -4.90 113.70 122.91 1j1j s SER 2 Ca 0.00 1.06 0.07 0.00 0.48 0.00 0.00 55.95 57.56 1j1j s SER 2 Cb 0.00 -2.22 0.81 0.00 0.10 0.00 0.00 66.02 64.71 1j1j s SER 2 CO 0.00 -0.78 2.00 -0.37 0.98 0.00 0.00 173.24 175.07 1j1j h VAL 3 N -0.05 1.05 -0.71 5.02 -1.51 -2.05 -1.26 116.25 116.74 1j1j h VAL 3 Ca -0.46 -0.22 -0.05 0.00 -1.23 0.00 0.00 66.70 64.74 1j1j h VAL 3 Cb 1.21 0.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.68 1j1j h VAL 3 CO 0.62 0.12 0.26 -1.28 -1.23 0.00 0.00 177.57 176.06 1j1j h SER 4 N 0.65 1.00 -0.26 4.19 0.87 -1.99 -0.65 113.55 117.37 1j1j h SER 4 Ca 0.24 -0.19 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 1j1j h SER 4 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1j1j h SER 4 CO -0.07 0.92 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.43 1j1j h GLU 5 N 1.03 0.81 -0.36 2.24 5.08 -1.69 -1.26 114.58 120.43 1j1j h GLU 5 Ca 0.23 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1j1j h GLU 5 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1j1j h GLU 5 CO -0.01 1.05 0.18 0.82 -1.00 0.00 0.00 179.01 180.05 1j1j h ILE 6 N 0.66 1.16 -0.05 3.13 2.04 -0.98 -2.02 117.51 121.45 1j1j h ILE 6 Ca 0.05 -0.43 -0.14 0.00 1.00 0.00 0.00 64.86 65.34 1j1j h ILE 6 Cb 0.96 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1j1j h ILE 6 CO 0.09 0.16 -0.63 -0.26 0.00 0.00 0.00 178.15 177.52 1j1j h PHE 7 N 0.44 0.22 -0.51 1.37 -1.00 -1.04 -1.57 116.94 114.85 1j1j h PHE 7 Ca 0.12 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.77 1j1j h PHE 7 Cb 0.09 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1j1j h PHE 7 CO -0.02 0.75 0.12 0.28 -1.61 0.00 0.00 178.31 177.83 1j1j h VAL 8 N 0.12 1.22 -0.30 -0.55 2.07 -1.06 -0.59 116.25 117.16 1j1j h VAL 8 Ca -0.01 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1j1j h VAL 8 Cb 1.13 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1j1j h VAL 8 CO 0.09 0.29 -0.01 -0.08 0.02 0.00 0.00 177.57 177.89 1j1j h GLU 9 N 0.75 0.53 0.00 1.57 4.81 -1.05 -2.77 114.58 118.43 1j1j h GLU 9 Ca 0.17 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1j1j h GLU 9 Cb 0.28 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1j1j h GLU 9 CO -0.00 0.68 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.80 1j1j h LEU 10 N 0.33 0.00 -0.09 1.64 3.38 -0.75 -2.53 115.31 117.29 1j1j h LEU 10 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1j1j h LEU 10 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1j1j h LEU 10 CO 0.02 0.09 -0.04 -0.61 0.09 0.00 0.00 178.44 177.99 1j1j h GLN 11 N 0.00 0.19 -0.77 1.13 4.15 -0.84 -0.89 115.11 118.07 1j1j h GLN 11 Ca -0.00 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.40 1j1j h GLN 11 Cb 0.33 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 1j1j h GLN 11 CO 0.01 0.53 0.46 0.78 -1.93 0.00 0.00 178.83 178.69 1j1j h GLY 12 N -0.17 1.15 0.84 2.39 0.00 -1.31 0.27 103.07 106.25 1j1j h GLY 12 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1j1j h GLY 12 CO 0.01 0.23 -0.02 0.74 0.00 0.00 0.00 176.54 177.50 1j1j h PHE 13 N 0.86 -0.05 -0.75 5.60 0.04 -1.37 0.01 116.94 121.29 1j1j h PHE 13 Ca 0.34 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 1j1j h PHE 13 Cb 0.16 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 1j1j h PHE 13 CO -0.05 0.13 0.38 -0.07 -0.60 0.00 0.00 178.31 178.10 1j1j h LEU 14 N -0.21 0.96 -1.27 1.54 3.38 -0.83 0.19 115.31 119.06 1j1j h LEU 14 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1j1j h LEU 14 Cb 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1j1j h LEU 14 CO 0.01 0.81 0.48 0.00 0.09 0.00 0.00 178.44 179.82 1j1j h ALA 15 N 1.19 1.47 -0.30 1.53 0.00 -0.27 0.61 119.26 123.49 1j1j h ALA 15 Ca 0.26 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1j1j h ALA 15 Cb 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1j1j h ALA 15 CO -0.04 0.49 -0.29 0.00 0.00 0.00 0.00 179.25 179.41 1j1j h ALA 16 N 1.53 0.45 -0.93 0.00 0.00 -0.25 -2.55 119.26 117.50 1j1j h ALA 16 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1j1j h ALA 16 Cb -0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1j1j h ALA 16 CO -0.06 0.47 0.54 1.49 0.00 0.00 0.00 179.25 181.69 1j1j h GLU 17 N 0.49 1.27 0.00 0.00 4.81 -0.08 -2.52 114.58 118.56 1j1j h GLU 17 Ca 0.05 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1j1j h GLU 17 Cb 0.86 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1j1j h GLU 17 CO 0.07 0.90 -0.44 1.96 -0.73 0.00 0.00 179.01 180.78 1j1j h GLN 18 N 1.29 0.00 -0.25 1.92 1.08 -0.85 -2.56 115.11 115.75 1j1j h GLN 18 Ca 0.33 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.41 1j1j h GLN 18 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1j1j h GLN 18 CO -0.06 0.44 -0.36 -0.44 -0.95 0.00 0.00 178.83 177.46 1j1j h ASP 19 N 0.00 0.56 -0.24 1.46 3.32 -1.03 -2.15 116.42 118.34 1j1j h ASP 19 Ca -0.00 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1j1j h ASP 19 Cb 0.89 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1j1j h ASP 19 CO 0.06 0.88 -0.01 0.40 -1.72 0.00 0.00 179.24 178.84 1j1j h ILE 20 N 0.46 1.26 -0.60 0.35 2.04 -1.26 -1.81 117.51 117.95 1j1j h ILE 20 Ca 0.05 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1j1j h ILE 20 Cb 0.84 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1j1j h ILE 20 CO 0.07 0.29 0.36 0.03 0.00 0.00 0.00 178.15 178.91 1j1j h ARG 21 N 0.20 0.69 -0.29 2.37 3.08 -1.32 0.00 114.38 119.11 1j1j h ARG 21 Ca 0.07 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1j1j h ARG 21 Cb 0.44 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1j1j h ARG 21 CO 0.02 0.46 0.05 0.93 -1.07 0.00 0.00 179.97 180.35 1j1j h GLU 22 N 0.71 0.15 -0.28 0.04 3.07 -1.25 0.29 114.58 117.31 1j1j h GLU 22 Ca 0.25 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.11 1j1j h GLU 22 Cb 0.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1j1j h GLU 22 CO -0.11 0.10 0.17 0.93 -1.40 0.00 0.00 179.01 178.70 1j1j h GLU 23 N 0.15 0.35 -0.78 2.33 4.39 -0.74 -2.21 114.58 118.07 1j1j h GLU 23 Ca 0.14 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1j1j h GLU 23 Cb 0.15 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1j1j h GLU 23 CO -0.19 0.23 0.42 0.82 -1.16 0.00 0.00 179.01 179.13 1j1j h ILE 24 N 0.36 1.23 -0.68 3.13 2.04 -0.56 -2.71 117.51 120.33 1j1j h ILE 24 Ca 0.11 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1j1j h ILE 24 Cb -0.02 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 1j1j h ILE 24 CO -0.04 0.26 0.45 0.03 0.00 0.00 0.00 178.15 178.85 1j1j h ARG 25 N 1.08 0.84 -0.11 2.37 3.08 0.07 -0.57 114.38 121.14 1j1j h ARG 25 Ca 0.27 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.08 1j1j h ARG 25 Cb 0.04 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1j1j h ARG 25 CO -0.04 0.56 -0.73 0.87 -1.07 0.00 0.00 179.97 179.55 1j1j h LYS 26 N 0.87 0.54 -0.17 0.04 1.57 -1.11 -2.06 116.57 116.25 1j1j h LYS 26 Ca 0.26 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1j1j h LYS 26 Cb -0.01 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j1j h LYS 26 CO -0.07 1.06 -0.06 0.28 -0.57 0.00 0.00 179.45 180.10 1j1j h VAL 27 N 0.37 1.30 -0.55 0.50 2.07 -1.22 -2.80 116.25 115.91 1j1j h VAL 27 Ca -0.03 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1j1j h VAL 27 Cb 1.32 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1j1j h VAL 27 CO 0.14 0.31 0.37 0.58 0.02 0.00 0.00 177.57 178.99 1j1j h VAL 28 N 0.03 1.03 -0.43 2.57 2.07 -1.10 -0.52 116.25 119.90 1j1j h VAL 28 Ca 0.04 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1j1j h VAL 28 Cb 0.51 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1j1j h VAL 28 CO 0.02 0.11 0.17 1.56 0.02 0.00 0.00 177.57 179.44 1j1j h GLN 29 N 0.58 0.65 -0.78 1.57 1.08 -1.17 0.14 115.11 117.19 1j1j h GLN 29 Ca 0.23 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1j1j h GLN 29 Cb 0.18 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1j1j h GLN 29 CO -0.06 0.61 0.28 0.77 -0.95 0.00 0.00 178.83 179.48 1j1j h SER 30 N 0.55 1.10 -0.24 1.46 0.02 -1.08 -2.24 113.55 113.12 1j1j h SER 30 Ca 0.14 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1j1j h SER 30 Cb 0.21 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1j1j h SER 30 CO -0.01 0.99 0.15 0.25 -1.14 0.00 0.00 176.83 177.07 1j1j h LEU 31 N 1.14 0.29 -1.80 5.07 5.85 -0.74 -1.26 115.31 123.86 1j1j h LEU 31 Ca 0.26 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1j1j h LEU 31 Cb 0.26 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1j1j h LEU 31 CO -0.02 0.23 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.84 1j1j h GLU 32 N 0.31 0.00 -0.02 1.25 5.08 -0.39 -0.95 114.58 119.86 1j1j h GLU 32 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1j1j h GLU 32 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1j1j h GLU 32 CO -0.02 0.14 -0.49 0.37 -1.00 0.00 0.00 179.01 178.01 1j1j h GLN 33 N 0.00 0.38 -0.74 2.33 4.15 -0.85 -1.74 115.11 118.63 1j1j h GLN 33 Ca -0.00 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 1j1j h GLN 33 Cb 0.28 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1j1j h GLN 33 CO 0.02 1.04 0.43 1.15 -1.93 0.00 0.00 178.83 179.54 1j1j h THR 34 N -0.14 1.21 -0.24 2.39 2.02 -0.92 -1.14 112.91 116.09 1j1j h THR 34 Ca -0.05 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1j1j h THR 34 Cb 1.19 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1j1j h THR 34 CO 0.10 0.22 0.08 0.00 0.37 0.00 0.00 175.52 176.29 1j1j h ALA 35 N 1.46 0.31 -0.62 6.16 0.00 -1.14 -0.11 119.26 125.31 1j1j h ALA 35 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1j1j h ALA 35 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1j1j h ALA 35 CO -0.05 -0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.54 1j1j h ARG 36 N 0.21 0.80 -0.50 0.00 3.08 -0.81 -0.14 114.38 117.03 1j1j h ARG 36 Ca 0.08 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1j1j h ARG 36 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1j1j h ARG 36 CO -0.00 0.53 -0.18 0.93 -1.07 0.00 0.00 179.97 180.18 1j1j h GLU 37 N 0.83 1.00 -0.28 0.04 5.08 -0.75 -1.01 114.58 119.49 1j1j h GLU 37 Ca 0.23 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1j1j h GLU 37 Cb -0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1j1j h GLU 37 CO -0.05 1.08 -0.03 0.82 -1.00 0.00 0.00 179.01 179.84 1j1j h ILE 38 N 0.87 1.27 -0.75 3.13 2.04 -0.34 -2.02 117.51 121.71 1j1j h ILE 38 Ca 0.12 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.04 1j1j h ILE 38 Cb 0.75 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 1j1j h ILE 38 CO 0.06 0.31 0.46 0.25 0.00 0.00 0.00 178.15 179.24 1j1j h LEU 39 N 0.28 0.73 -1.05 1.44 5.85 -0.92 -1.04 115.31 120.60 1j1j h LEU 39 Ca 0.08 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1j1j h LEU 39 Cb 0.47 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1j1j h LEU 39 CO 0.02 0.49 0.64 0.74 -0.34 0.00 0.00 178.44 179.99 1j1j h THR 40 N 0.87 1.15 -0.25 1.05 2.02 -0.97 -0.07 112.91 116.71 1j1j h THR 40 Ca 0.32 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1j1j h THR 40 Cb 0.10 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1j1j h THR 40 CO -0.14 0.22 -0.19 -0.07 0.37 0.00 0.00 175.52 175.71 1j1j h LEU 41 N 1.21 0.44 0.15 2.58 3.38 -0.47 -3.33 115.31 119.28 1j1j h LEU 41 Ca 0.39 -0.13 -0.32 0.00 0.09 0.00 0.00 57.88 57.92 1j1j h LEU 41 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j1j h LEU 41 CO -0.13 0.65 -1.59 -0.07 0.09 0.00 0.00 178.44 177.39 1j1j h LEU 42 N 0.41 0.51 0.00 1.67 3.38 -0.47 -3.35 115.31 117.47 1j1j h LEU 42 Ca 0.07 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1j1j h LEU 42 Cb 0.56 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1j1j h LEU 42 CO 0.04 1.71 0.00 0.00 0.09 0.00 0.00 178.44 180.28 1j1j n GLN 43 N -3.75 0.03 0.18 1.13 6.02 -0.13 -0.56 117.38 120.30 1j1j n GLN 43 Ca -0.25 0.24 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1j1j n GLN 43 Cb 0.99 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 31.33 1j1j n GLN 43 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1j1j h GLY 44 N 0.32 0.00 2.00 1.08 0.00 -1.69 -1.54 103.07 103.23 1j1j h GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j1j h GLY 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.09 1j1j n VAL 45 N -2.47 1.01 0.92 4.60 3.14 0.28 -2.59 118.33 123.23 1j1j n VAL 45 Ca 0.01 0.30 0.14 0.00 -2.96 0.00 0.00 64.34 61.83 1j1j n VAL 45 Cb 0.22 -1.17 0.58 0.00 -1.06 0.00 0.00 33.84 32.41 1j1j n VAL 45 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1j1j n HIS 46 N -1.87 0.14 -4.55 1.45 -0.00 -0.58 -4.89 115.22 104.91 1j1j n HIS 46 Ca 0.02 0.04 -0.26 0.00 -0.00 0.00 0.00 57.72 57.52 1j1j n HIS 46 Cb 0.17 -0.57 -0.11 0.00 -0.00 0.00 0.00 29.99 29.49 1j1j n HIS 46 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1j1j s GLN 47 N -3.02 1.83 0.00 -0.41 1.11 -1.07 -4.86 119.66 113.24 1j1j s GLN 47 Ca 0.13 -1.99 0.00 0.00 0.01 0.00 0.00 55.36 53.52 1j1j s GLN 47 Cb 0.18 -1.55 0.00 0.00 -1.01 0.00 0.00 33.01 30.63 1j1j s GLN 47 CO 0.53 0.03 0.00 0.41 0.01 0.00 0.00 175.29 176.27 1j1j n GLY 48 N -0.83 -1.77 3.76 3.09 0.00 -1.26 -4.94 105.19 103.24 1j1j n GLY 48 Ca -0.05 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.73 3.29 0.04 4.61 0.00 -1.26 -4.55 121.76 121.16 1j1j s ALA 49 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1j1j s ALA 49 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1j1j s ALA 49 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1j1j n GLY 50 N 1.09 -1.41 1.93 0.00 0.00 -0.15 -4.65 105.19 101.99 1j1j n GLY 50 Ca -0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.72 0.85 0.30 1.61 3.01 -1.26 -4.86 117.46 115.40 1j1j n PHE 51 Ca 0.00 -1.48 0.17 0.00 1.01 0.00 0.00 57.45 57.16 1j1j n PHE 51 Cb 0.08 -0.22 0.82 0.00 -0.01 0.00 0.00 39.48 40.15 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 1.75 0.00 -0.00 -1.08 4.20 -2.00 -2.54 115.11 115.44 1j1j h GLN 52 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1j1j h GLN 52 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1j1j h GLN 52 CO 0.21 0.00 -0.04 -0.40 -0.67 0.00 0.00 178.83 177.93 1j1j n ASP 53 N -2.83 0.20 0.09 1.46 3.85 -1.26 -4.32 116.55 113.74 1j1j n ASP 53 Ca -0.01 -0.44 -0.12 0.00 -0.71 0.00 0.00 54.79 53.51 1j1j n ASP 53 Cb 0.18 -0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 39.74 1j1j n ASP 53 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1j1j h ILE 54 N 0.25 0.52 -0.29 2.12 2.04 -1.86 -0.99 117.51 119.30 1j1j h ILE 54 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1j1j h ILE 54 Cb 0.28 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1j1j h ILE 54 CO 0.00 0.00 0.11 -0.65 0.00 0.00 0.00 178.15 177.61 1j1j h PRO 55 N -0.37 0.24 -0.37 2.37 0.11 -1.84 -0.31 132.00 131.83 1j1j h PRO 55 Ca 0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.15 1j1j h PRO 55 Cb 0.42 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 1j1j h PRO 55 CO -0.15 0.16 0.21 -0.22 -0.21 0.00 0.00 178.00 177.79 1j1j h LYS 56 N 0.25 0.41 -0.15 1.05 3.64 -1.79 0.56 116.57 120.53 1j1j h LYS 56 Ca 0.13 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1j1j h LYS 56 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1j1j h LYS 56 CO -0.12 0.27 -0.33 0.00 -2.27 0.00 0.00 179.45 177.00 1j1j h ARG 57 N 0.42 0.30 -0.13 1.90 3.08 -0.94 -1.18 114.38 117.83 1j1j h ARG 57 Ca 0.15 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1j1j h ARG 57 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1j1j h ARG 57 CO -0.08 0.60 -0.51 0.00 -1.07 0.00 0.00 179.97 178.91 1j1j h LEU 59 N 0.29 0.50 -0.87 0.00 7.12 -0.42 -1.35 115.31 120.57 1j1j h LEU 59 Ca 0.01 -0.37 -0.08 0.00 0.13 0.00 0.00 57.88 57.57 1j1j h LEU 59 Cb 1.00 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 1j1j h LEU 59 CO 0.09 0.75 -0.04 0.11 -0.13 0.00 0.00 178.44 179.22 1j1j h LYS 60 N 0.24 0.79 0.29 1.25 1.57 -1.13 -1.94 116.57 117.63 1j1j h LYS 60 Ca 0.06 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1j1j h LYS 60 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1j1j h LYS 60 CO 0.03 0.82 -0.14 0.00 -0.57 0.00 0.00 179.45 179.59 1j1j h ALA 61 N 1.22 -0.39 -0.38 3.86 0.00 -1.04 -2.28 119.26 120.25 1j1j h ALA 61 Ca 0.13 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1j1j h ALA 61 Cb 0.51 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1j1j h ALA 61 CO 0.03 -0.63 0.26 0.00 0.00 0.00 0.00 179.25 178.90 1j1j h ARG 62 N -0.56 0.31 -0.13 0.00 3.08 -1.15 0.13 114.38 116.06 1j1j h ARG 62 Ca -0.04 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 1j1j h ARG 62 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1j1j h ARG 62 CO 0.07 0.20 -0.45 0.93 -1.07 0.00 0.00 179.97 179.64 1j1j h GLU 63 N 0.31 0.32 0.00 0.04 5.08 -1.19 -2.59 114.58 116.55 1j1j h GLU 63 Ca 0.16 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j1j h GLU 63 Cb 0.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1j1j h GLU 63 CO -0.04 0.72 0.00 1.25 -1.00 0.00 0.00 179.01 179.94 1j1j h HIS 64 N 0.26 0.00 0.00 4.33 2.76 -0.40 -2.26 115.15 119.85 1j1j h HIS 64 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1j1j h HIS 64 Cb 0.91 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1j1j h HIS 64 CO 0.02 0.00 0.00 0.74 -1.30 0.00 0.00 177.93 177.39 1j1j h PHE 65 N 0.00 0.00 -0.92 5.26 -1.00 -0.98 -2.68 116.94 116.62 1j1j h PHE 65 Ca 0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 1j1j h PHE 65 Cb 0.58 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 1j1j h PHE 65 CO 0.00 0.00 0.61 0.78 -1.61 0.00 0.00 178.31 178.09 1j1j h GLY 66 N 2.68 1.32 1.43 -1.45 0.00 -1.49 -0.04 103.07 105.52 1j1j h GLY 66 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1j1j h GLY 66 CO 0.00 0.41 -0.25 -0.84 0.00 0.00 0.00 176.54 175.86 1j1j h THR 67 N 1.18 1.27 -0.08 4.70 2.02 -1.67 -2.61 112.91 117.73 1j1j h THR 67 Ca 0.36 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1j1j h THR 67 Cb -0.02 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1j1j h THR 67 CO -0.10 0.44 0.05 0.58 0.37 0.00 0.00 175.52 176.85 1j1j h VAL 68 N 0.57 1.02 -0.82 3.16 2.07 -1.10 -2.08 116.25 119.07 1j1j h VAL 68 Ca 0.08 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1j1j h VAL 68 Cb 0.73 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1j1j h VAL 68 CO 0.06 0.02 0.51 0.11 0.02 0.00 0.00 177.57 178.29 1j1j h LYS 69 N 0.10 0.92 -0.18 1.57 1.57 -0.97 -1.44 116.57 118.14 1j1j h LYS 69 Ca 0.03 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1j1j h LYS 69 Cb -0.01 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1j1j h LYS 69 CO -0.01 0.61 -0.05 1.15 -0.57 0.00 0.00 179.45 180.58 1j1j h THR 70 N 0.94 0.81 -0.21 -0.16 2.02 -1.08 -1.34 112.91 113.89 1j1j h THR 70 Ca 0.35 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.42 1j1j h THR 70 Cb 0.14 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1j1j h THR 70 CO -0.16 0.00 -0.35 0.45 0.37 0.00 0.00 175.52 175.83 1j1j h HIS 71 N -0.01 0.53 0.00 3.16 3.86 -0.95 -2.36 115.15 119.39 1j1j h HIS 71 Ca 0.09 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1j1j h HIS 71 Cb 0.14 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1j1j h HIS 71 CO -0.21 0.76 -0.44 -0.07 0.86 0.00 0.00 177.93 178.82 1j1j h LEU 72 N 0.39 0.00 -0.40 2.43 3.38 -1.03 0.15 115.31 120.23 1j1j h LEU 72 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1j1j h LEU 72 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1j1j h LEU 72 CO 0.07 0.44 -0.29 0.74 0.09 0.00 0.00 178.44 179.49 1j1j h THR 73 N 0.00 1.28 -0.25 0.22 2.02 -0.93 -2.11 112.91 113.13 1j1j h THR 73 Ca -0.00 -1.45 -0.16 0.00 0.77 0.00 0.00 66.41 65.57 1j1j h THR 73 Cb 0.89 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1j1j h THR 73 CO 0.06 0.49 -0.50 -1.28 0.37 0.00 0.00 175.52 174.66 1j1j h SER 74 N 0.71 0.77 -0.50 4.18 0.87 -1.10 -3.00 113.55 115.48 1j1j h SER 74 Ca 0.08 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1j1j h SER 74 Cb 0.87 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 1j1j h SER 74 CO 0.08 1.13 0.27 0.25 -0.53 0.00 0.00 176.83 178.03 1j1j h LEU 75 N 0.55 0.64 -1.77 2.23 5.85 -0.54 -0.10 115.31 122.18 1j1j h LEU 75 Ca 0.02 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1j1j h LEU 75 Cb 1.06 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1j1j h LEU 75 CO 0.10 0.53 -0.12 0.11 -0.34 0.00 0.00 178.44 178.72 1j1j h LYS 76 N 0.73 0.00 0.00 1.25 1.57 -1.24 -2.06 116.57 116.81 1j1j h LYS 76 Ca 0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1j1j h LYS 76 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1j1j h LYS 76 CO -0.03 0.12 -0.09 1.15 -0.57 0.00 0.00 179.45 180.03 1j1j h THR 77 N 0.00 0.19 -0.05 -0.16 2.02 -0.95 -3.30 112.91 110.66 1j1j h THR 77 Ca -0.00 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1j1j h THR 77 Cb 0.42 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1j1j h THR 77 CO 0.02 0.09 0.00 0.29 0.37 0.00 0.00 175.52 176.29 1j1j n LYS 78 N -3.16 1.49 -3.47 6.66 4.76 -0.78 -4.94 118.16 118.72 1j1j n LYS 78 Ca 0.02 -0.71 -0.12 0.00 -2.87 0.00 0.00 58.31 54.63 1j1j n LYS 78 Cb 0.46 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.95 -0.49 -0.03 2.13 -0.12 -1.25 -4.80 117.98 111.47 1j1j s PHE 79 Ca 0.38 0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 57.39 1j1j s PHE 79 Cb 0.20 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 43.04 1j1j s PHE 79 CO 0.31 -0.69 1.78 -2.14 -0.05 0.00 0.00 175.22 174.43 1j1j s PRO 80 N -3.01 4.13 0.16 1.99 0.02 -1.26 -4.82 135.00 132.21 1j1j s PRO 80 Ca 0.00 2.32 0.07 0.00 0.02 0.00 0.00 61.00 63.41 1j1j s PRO 80 Cb -0.01 -4.06 0.36 0.00 0.02 0.00 0.00 34.50 30.81 1j1j s PRO 80 CO -0.07 -0.93 1.06 0.00 -0.33 0.00 0.00 177.00 176.73 1j1j n ALA 81 N 7.43 0.64 0.10 -1.55 0.00 -1.26 0.24 120.51 126.10 1j1j n ALA 81 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1j1j n ALA 81 Cb 0.42 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1j1j n ALA 81 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1j1j h GLU 82 N 0.00 0.00 -0.98 0.00 4.81 -2.01 -3.32 114.58 113.08 1j1j h GLU 82 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 1j1j h GLU 82 Cb 0.46 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.54 1j1j h GLU 82 CO 0.00 0.61 0.65 1.04 -0.73 0.00 0.00 179.01 180.58 1j1j n GLN 83 N -3.21 2.28 -0.18 1.92 6.02 0.14 -4.73 117.38 119.62 1j1j n GLN 83 Ca -0.00 -3.05 -0.11 0.00 -0.01 0.00 0.00 57.00 53.83 1j1j n GLN 83 Cb 0.81 -2.18 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 1j1j n GLN 83 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1j1j h TYR 84 N 1.10 -1.47 0.00 1.08 3.20 -1.67 0.19 116.97 119.40 1j1j h TYR 84 Ca 0.62 0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.57 1j1j h TYR 84 Cb 2.62 0.71 0.00 0.00 1.54 0.00 0.00 36.73 41.61 1j1j h TYR 84 CO 1.56 -0.45 0.00 0.66 -1.64 0.00 0.00 178.16 178.29 1j1j n TYR 85 N -5.39 0.00 0.09 -3.82 4.02 -1.26 -0.78 117.16 110.02 1j1j n TYR 85 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1j1j n TYR 85 Cb 0.34 -0.29 -0.13 0.00 -0.02 0.00 0.00 39.34 39.24 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 0.16 -0.08 -0.72 2.43 -1.32 -3.34 114.38 111.52 1j1j h ARG 86 Ca 0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1j1j h ARG 86 Cb 0.18 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1j1j h ARG 86 CO 0.00 1.13 0.00 1.19 -1.51 0.00 0.00 179.97 180.78 1j1j n PHE 87 N -3.46 0.10 -0.29 2.20 3.01 -0.98 -4.74 117.46 113.30 1j1j n PHE 87 Ca -0.05 -0.12 0.10 0.00 1.01 0.00 0.00 57.45 58.39 1j1j n PHE 87 Cb 0.99 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 40.72 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 1.88 0.56 -0.25 1.38 2.76 -1.08 -2.09 115.15 118.32 1j1j h HIS 88 Ca 0.00 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1j1j h HIS 88 Cb 0.48 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1j1j h HIS 88 CO 0.05 -0.03 0.31 1.05 -1.30 0.00 0.00 177.93 178.00 1j1j h GLU 89 N 0.39 0.00 -0.26 5.26 9.09 -1.85 -1.69 114.58 125.51 1j1j h GLU 89 Ca 0.51 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.84 1j1j h GLU 89 Cb 0.92 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 1j1j h GLU 89 CO -0.51 0.00 -0.20 0.45 0.05 0.00 0.00 179.01 178.81 1j1j h HIS 90 N 0.00 0.52 -0.13 2.06 3.86 -1.75 -3.25 115.15 116.46 1j1j h HIS 90 Ca 0.12 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1j1j h HIS 90 Cb 0.74 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.07 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 -4.16 0.18 -0.14 2.45 4.27 -0.75 -4.72 117.44 114.57 1j1j n TRP 91 Ca -0.00 -0.43 -0.03 0.00 -3.89 0.00 0.00 57.50 53.15 1j1j n TRP 91 Cb 0.37 -0.03 0.04 0.00 -1.36 0.00 0.00 31.31 30.33 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 0.92 0.09 0.61 -2.67 2.43 -1.37 -0.53 114.38 113.86 1j1j h ARG 92 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1j1j h ARG 92 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1j1j h ARG 92 CO 0.00 0.06 -0.40 0.35 -1.51 0.00 0.00 179.97 178.47 1j1j h PHE 93 N 0.09 -1.09 0.00 2.20 3.57 -1.84 -1.59 116.94 118.28 1j1j h PHE 93 Ca 0.23 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1j1j h PHE 93 Cb 0.34 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1j1j h PHE 93 CO -0.31 -0.59 -0.10 -0.24 -2.23 0.00 0.00 178.31 174.84 1j1j h VAL 94 N -0.96 1.04 -0.41 1.41 3.04 -1.87 -1.00 116.25 117.50 1j1j h VAL 94 Ca -0.08 -0.35 -0.04 0.00 -1.01 0.00 0.00 66.70 65.21 1j1j h VAL 94 Cb 0.78 1.19 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 1j1j h VAL 94 CO 0.06 0.10 0.08 0.25 -1.01 0.00 0.00 177.57 177.05 1j1j h LEU 95 N 0.00 0.64 -1.01 3.16 6.46 -0.94 0.21 115.31 123.83 1j1j h LEU 95 Ca -0.00 -0.25 -0.08 0.00 -0.12 0.00 0.00 57.88 57.43 1j1j h LEU 95 Cb 0.19 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1j1j h LEU 95 CO 0.01 0.72 -0.16 1.56 -0.62 0.00 0.00 178.44 179.96 1j1j h GLN 96 N 0.53 0.53 -0.35 1.25 4.20 -0.27 -1.34 115.11 119.66 1j1j h GLN 96 Ca 0.13 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1j1j h GLN 96 Cb 0.34 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1j1j h GLN 96 CO 0.00 0.67 0.01 0.00 -0.67 0.00 0.00 178.83 178.84 1j1j h ARG 97 N 0.48 0.61 -0.56 1.46 2.47 -0.83 -2.16 114.38 115.85 1j1j h ARG 97 Ca 0.08 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 1j1j h ARG 97 Cb 0.55 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 1j1j h ARG 97 CO 0.04 0.72 0.17 -0.07 0.56 0.00 0.00 179.97 181.39 1j1j h LEU 98 N 0.42 0.78 -0.43 3.04 3.38 -0.22 -0.31 115.31 121.97 1j1j h LEU 98 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1j1j h LEU 98 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1j1j h LEU 98 CO 0.02 0.74 0.24 0.58 0.09 0.00 0.00 178.44 180.11 1j1j h VAL 99 N 0.82 1.15 -0.05 1.22 2.07 -1.11 -0.71 116.25 119.64 1j1j h VAL 99 Ca 0.19 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1j1j h VAL 99 Cb 0.25 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1j1j h VAL 99 CO -0.01 0.16 -0.01 0.15 0.02 0.00 0.00 177.57 177.88 1j1j h PHE 100 N 0.56 -0.02 -0.95 1.57 3.57 -0.76 -0.54 116.94 120.36 1j1j h PHE 100 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1j1j h PHE 100 Cb 0.04 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1j1j h PHE 100 CO -0.03 -0.02 0.57 -0.07 -2.23 0.00 0.00 178.31 176.54 1j1j h LEU 101 N 0.01 1.14 -0.27 0.59 3.38 -0.83 0.38 115.31 119.71 1j1j h LEU 101 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1j1j h LEU 101 Cb 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1j1j h LEU 101 CO -0.05 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.32 1j1j h ALA 102 N 1.32 0.37 -0.60 1.53 0.00 -0.94 -1.39 119.26 119.54 1j1j h ALA 102 Ca 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1j1j h ALA 102 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1j1j h ALA 102 CO -0.06 0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.58 1j1j h ALA 103 N 0.79 1.31 -0.31 0.00 0.00 -0.65 -0.20 119.26 120.21 1j1j h ALA 103 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1j1j h ALA 103 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1j1j h ALA 103 CO 0.02 0.52 -0.02 0.35 0.00 0.00 0.00 179.25 180.12 1j1j h PHE 104 N 0.86 0.60 -0.63 0.00 3.57 -0.05 0.47 116.94 121.76 1j1j h PHE 104 Ca 0.21 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1j1j h PHE 104 Cb 0.15 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1j1j h PHE 104 CO 0.01 0.69 0.11 -0.24 -2.23 0.00 0.00 178.31 176.66 1j1j h VAL 105 N 0.34 1.26 -0.49 1.41 3.04 -0.80 -0.82 116.25 120.18 1j1j h VAL 105 Ca 0.08 -1.00 -0.09 0.00 -1.01 0.00 0.00 66.70 64.69 1j1j h VAL 105 Cb 0.46 0.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 1j1j h VAL 105 CO 0.02 0.37 -0.03 0.58 -1.01 0.00 0.00 177.57 177.50 1j1j h VAL 106 N 0.95 1.27 -0.54 1.51 2.07 -0.94 -2.74 116.25 117.82 1j1j h VAL 106 Ca 0.19 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 1j1j h VAL 106 Cb 0.42 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1j1j h VAL 106 CO 0.01 0.39 -0.01 0.22 0.02 0.00 0.00 177.57 178.20 1j1j h TYR 107 N 0.74 1.05 -0.79 1.57 5.03 -0.70 0.27 116.97 124.15 1j1j h TYR 107 Ca 0.13 -0.19 0.04 0.00 2.58 0.00 0.00 58.73 61.30 1j1j h TYR 107 Cb 0.56 -0.27 -0.05 0.00 1.55 0.00 0.00 36.73 38.52 1j1j h TYR 107 CO 0.04 0.96 0.52 -0.07 -1.32 0.00 0.00 178.16 178.30 1j1j h LEU 108 N 0.84 0.81 0.00 2.82 4.07 -1.09 0.55 115.31 123.31 1j1j h LEU 108 Ca 0.15 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 1j1j h LEU 108 Cb 0.55 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1j1j h LEU 108 CO 0.03 0.55 -0.31 -0.08 -1.08 0.00 0.00 178.44 177.55 1j1j h GLU 109 N 0.94 0.00 -0.01 1.13 4.81 -1.27 -3.42 114.58 116.76 1j1j h GLU 109 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1j1j h GLU 109 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1j1j h GLU 109 CO -0.10 0.87 -0.26 0.25 -0.73 0.00 0.00 179.01 179.04 1j1j n THR 110 N -4.59 0.00 -3.04 0.32 -2.24 0.07 -5.00 114.28 99.79 1j1j n THR 110 Ca -0.14 -0.37 -0.22 0.00 -2.27 0.00 0.00 64.05 61.05 1j1j n THR 110 Cb 0.47 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.24 -4.07 -4.36 -0.78 1.02 0.19 -4.98 120.64 107.42 1j1j n GLU 111 Ca 0.05 0.76 -0.18 0.00 -0.02 0.00 0.00 57.16 57.77 1j1j n GLU 111 Cb 0.25 -5.55 -0.10 0.00 -0.02 0.00 0.00 31.44 26.02 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 -3.06 1.26 -0.29 2.62 -1.32 -1.26 -5.01 115.64 108.57 1j1j s THR 112 Ca 0.29 -2.07 -0.20 0.00 -1.21 0.00 0.00 61.69 58.51 1j1j s THR 112 Cb -0.14 -2.35 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 1j1j s THR 112 CO 0.36 -0.34 0.61 -0.22 -2.21 0.00 0.00 174.62 172.83 1j1j s LEU 113 N -3.35 4.13 0.46 9.08 2.96 -1.26 -3.81 118.68 126.90 1j1j s LEU 113 Ca 0.28 0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 54.40 1j1j s LEU 113 Cb 0.05 -2.80 -0.08 0.00 0.50 0.00 0.00 46.19 43.86 1j1j s LEU 113 CO 0.09 -0.44 1.39 0.55 -1.32 0.00 0.00 176.35 176.62 1j1j n VAL 114 N 5.34 2.89 -2.55 1.68 3.14 -1.26 -4.97 118.33 122.61 1j1j n VAL 114 Ca -0.01 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.54 1j1j n VAL 114 Cb 0.49 -1.77 -0.04 0.00 -1.06 0.00 0.00 33.84 31.46 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 -1.21 4.27 0.24 1.55 2.01 -1.26 -4.92 115.64 116.33 1j1j s THR 115 Ca 0.63 1.27 -0.05 0.00 0.31 0.00 0.00 61.69 63.84 1j1j s THR 115 Cb -0.46 -3.59 0.21 0.00 0.01 0.00 0.00 72.50 68.68 1j1j s THR 115 CO 0.56 -0.45 1.85 -0.09 -0.69 0.00 0.00 174.62 175.80 1j1j h ARG 116 N 1.36 0.94 -0.35 4.92 2.43 -2.00 -0.43 114.38 121.25 1j1j h ARG 116 Ca -0.48 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.61 1j1j h ARG 116 Cb 1.19 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1j1j h ARG 116 CO 0.60 0.62 0.13 0.93 -1.51 0.00 0.00 179.97 180.74 1j1j h GLU 117 N 0.96 0.52 -0.80 0.20 3.07 -1.97 -1.91 114.58 114.66 1j1j h GLU 117 Ca 0.38 -0.10 0.02 0.00 -0.50 0.00 0.00 59.36 59.16 1j1j h GLU 117 Cb 0.18 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 1j1j h GLU 117 CO -0.18 0.53 0.53 0.00 -1.40 0.00 0.00 179.01 178.49 1j1j h ALA 118 N 0.97 1.49 -0.76 3.43 0.00 -1.66 -0.66 119.26 122.07 1j1j h ALA 118 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1j1j h ALA 118 Cb 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1j1j h ALA 118 CO -0.01 0.45 0.26 0.28 0.00 0.00 0.00 179.25 180.23 1j1j h VAL 119 N 1.02 1.26 -0.72 0.00 2.07 -0.77 -1.48 116.25 117.63 1j1j h VAL 119 Ca 0.31 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1j1j h VAL 119 Cb -0.02 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1j1j h VAL 119 CO -0.08 0.35 0.47 0.74 0.02 0.00 0.00 177.57 179.07 1j1j h THR 120 N 1.12 0.98 -0.06 2.57 2.02 -0.34 -1.30 112.91 117.89 1j1j h THR 120 Ca 0.25 -0.24 -0.23 0.00 0.77 0.00 0.00 66.41 66.96 1j1j h THR 120 Cb 0.28 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1j1j h THR 120 CO -0.01 0.13 -0.90 -0.33 0.37 0.00 0.00 175.52 174.78 1j1j h GLU 121 N 0.70 0.62 -0.16 6.66 5.08 -0.59 0.15 114.58 127.05 1j1j h GLU 121 Ca 0.32 -0.59 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1j1j h GLU 121 Cb 0.34 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1j1j h GLU 121 CO -0.11 1.21 -0.21 0.82 -1.00 0.00 0.00 179.01 179.72 1j1j h ILE 122 N 0.39 1.22 -0.00 3.13 2.04 -0.77 -2.85 117.51 120.66 1j1j h ILE 122 Ca -0.08 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1j1j h ILE 122 Cb 1.53 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1j1j h ILE 122 CO 0.17 0.32 -0.39 0.18 0.00 0.00 0.00 178.15 178.43 1j1j n LEU 123 N -4.19 0.68 -0.27 1.44 4.77 -0.54 -4.79 117.00 114.10 1j1j n LEU 123 Ca -0.01 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.85 1j1j n LEU 123 Cb 0.34 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1j1j n LEU 123 CO 0.39 0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 177.18 1j1j n GLY 124 N 1.44 0.65 3.97 -0.72 0.00 -0.86 -4.26 105.19 105.41 1j1j n GLY 124 Ca 0.08 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1j1j n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j1j s ILE 125 N -2.13 2.33 -0.08 -0.61 -1.09 0.48 -4.95 121.20 115.15 1j1j s ILE 125 Ca 0.00 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 1j1j s ILE 125 Cb 0.00 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1j1j s ILE 125 CO 0.00 0.00 0.10 -1.61 -1.23 0.00 0.00 174.94 172.20 1j1j s GLU 126 N -5.06 3.26 0.89 2.79 8.01 -1.17 -4.54 118.70 122.89 1j1j s GLU 126 Ca 0.63 -0.28 -0.12 0.00 0.01 0.00 0.00 54.97 55.21 1j1j s GLU 126 Cb -0.08 -3.02 0.12 0.00 -4.31 0.00 0.00 34.13 26.84 1j1j s GLU 126 CO 0.43 0.73 1.11 -2.14 0.01 0.00 0.00 175.26 175.39 1j1j s PRO 127 N -1.22 1.32 0.63 0.39 0.02 -1.26 -4.36 135.00 130.52 1j1j s PRO 127 Ca 0.17 0.51 0.14 0.00 0.02 0.00 0.00 61.00 61.84 1j1j s PRO 127 Cb -0.12 -1.84 0.75 0.00 0.02 0.00 0.00 34.50 33.31 1j1j s PRO 127 CO 0.07 -2.12 1.41 -0.44 -0.33 0.00 0.00 177.00 175.58 1j1j h ASP 128 N -1.45 0.00 -3.63 2.53 3.32 -1.95 -3.09 116.42 112.15 1j1j h ASP 128 Ca -0.50 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.90 1j1j h ASP 128 Cb 1.31 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.46 1j1j h ASP 128 CO 0.59 0.00 -0.46 -0.13 -1.72 0.00 0.00 179.24 177.52 1j1j s ARG 129 N -3.97 2.52 0.00 3.56 1.81 -1.26 -4.49 118.95 117.13 1j1j s ARG 129 Ca -0.02 -3.04 0.00 0.00 -1.72 0.00 0.00 55.73 50.96 1j1j s ARG 129 Cb 0.04 -3.55 0.00 0.00 -0.45 0.00 0.00 34.95 30.99 1j1j s ARG 129 CO 0.12 -1.22 0.00 -1.91 -0.68 0.00 0.00 175.30 171.61 1j1j n GLU 130 N 2.54 0.00 -1.50 3.54 2.13 -1.17 -5.09 120.64 121.09 1j1j n GLU 130 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1j1j n GLU 130 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 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 0.00 -0.42 0.00 5.31 5.02 -1.26 -4.97 118.16 121.84 1j1j n LYS 131 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1j1j n LYS 131 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 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 1.40 0.02 2.93 0.72 0.00 -1.26 -5.08 105.19 103.91 1j1j n GLY 132 Ca 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 1j1j n GLY 132 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1j1j n PHE 133 N 0.00 -1.75 -3.10 1.61 7.35 -1.26 -3.39 117.46 116.92 1j1j n PHE 133 Ca 0.00 0.93 -0.20 0.00 -0.76 0.00 0.00 57.45 57.42 1j1j n PHE 133 Cb 0.00 -2.20 0.01 0.00 0.35 0.00 0.00 39.48 37.64 1j1j n PHE 133 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1j1j s HIS 134 N -0.67 3.07 -0.34 -5.13 3.76 -1.26 -3.02 115.29 111.71 1j1j s HIS 134 Ca -0.07 -0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.73 1j1j s HIS 134 Cb 0.00 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.45 1j1j s HIS 134 CO 0.32 -0.33 0.09 -1.17 -0.85 0.00 0.00 174.74 172.80 1j1j s LEU 135 N -4.43 4.29 0.85 0.89 2.96 -1.26 -5.01 118.68 116.97 1j1j s LEU 135 Ca 0.50 -1.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 1j1j s LEU 135 Cb -0.10 -1.84 0.07 0.00 0.50 0.00 0.00 46.19 44.81 1j1j s LEU 135 CO 0.35 -0.33 0.90 -0.67 -1.32 0.00 0.00 176.35 175.28 1j1j n ASP 136 N 4.78 -0.20 0.00 3.68 -0.08 -1.26 -4.87 116.55 118.59 1j1j n ASP 136 Ca -0.12 0.49 -0.18 0.00 -1.51 0.00 0.00 54.79 53.47 1j1j n ASP 136 Cb 0.44 -1.39 -0.09 0.00 2.34 0.00 0.00 41.12 42.43 1j1j n ASP 136 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1j1j h VAL 137 N -1.18 1.30 -0.63 5.18 2.07 -1.98 -1.99 116.25 119.02 1j1j h VAL 137 Ca -0.45 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.02 1j1j h VAL 137 Cb 1.30 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1j1j h VAL 137 CO 0.42 0.64 0.41 -0.33 0.02 0.00 0.00 177.57 178.73 1j1j h GLU 138 N 0.39 0.82 -0.31 1.57 3.07 -1.99 0.67 114.58 118.80 1j1j h GLU 138 Ca -0.08 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.57 1j1j h GLU 138 Cb 1.48 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 1j1j h GLU 138 CO 0.17 0.54 -0.44 -0.44 -1.40 0.00 0.00 179.01 177.45 1j1j h ASP 139 N 0.84 0.85 0.13 1.42 3.32 -1.93 -1.89 116.42 119.16 1j1j h ASP 139 Ca 0.23 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1j1j h ASP 139 Cb -0.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.23 1j1j h ASP 139 CO -0.06 1.16 -0.06 0.22 -1.72 0.00 0.00 179.24 178.78 1j1j h TYR 140 N 0.63 -0.16 -0.42 4.55 3.20 -0.96 -1.67 116.97 122.14 1j1j h TYR 140 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1j1j h TYR 140 Cb 1.00 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1j1j h TYR 140 CO 0.06 -0.09 0.15 -0.07 -1.64 0.00 0.00 178.16 176.56 1j1j h LEU 141 N -0.18 0.55 -0.35 2.82 3.38 -0.84 -1.62 115.31 119.07 1j1j h LEU 141 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1j1j h LEU 141 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1j1j h LEU 141 CO 0.03 0.52 0.13 0.28 0.09 0.00 0.00 178.44 179.49 1j1j h SER 142 N 0.60 0.49 -0.87 -0.43 0.02 -1.03 -1.50 113.55 110.83 1j1j h SER 142 Ca 0.15 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1j1j h SER 142 Cb 0.15 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1j1j h SER 142 CO -0.01 0.54 0.57 1.23 -1.14 0.00 0.00 176.83 178.02 1j1j h GLY 143 N 0.42 1.25 1.12 -3.77 0.00 -0.76 -1.52 103.07 99.81 1j1j h GLY 143 Ca 0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1j1j h GLY 143 CO -0.01 0.37 0.11 -2.08 0.00 0.00 0.00 176.54 174.94 1j1j h VAL 144 N 1.09 1.26 -0.32 4.60 2.07 -0.91 -0.66 116.25 123.38 1j1j h VAL 144 Ca 0.35 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1j1j h VAL 144 Cb 0.02 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1j1j h VAL 144 CO -0.10 0.38 -0.16 -0.07 0.02 0.00 0.00 177.57 177.64 1j1j h LEU 145 N 1.01 0.56 -0.80 2.57 3.38 -0.55 -1.22 115.31 120.25 1j1j h LEU 145 Ca 0.20 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1j1j h LEU 145 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1j1j h LEU 145 CO 0.01 0.74 -0.43 0.40 0.09 0.00 0.00 178.44 179.25 1j1j h ILE 146 N 0.52 1.31 -0.18 1.22 2.04 -0.87 -2.68 117.51 118.87 1j1j h ILE 146 Ca 0.09 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1j1j h ILE 146 Cb 0.57 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1j1j h ILE 146 CO 0.04 0.48 0.08 0.25 0.00 0.00 0.00 178.15 179.00 1j1j h LEU 147 N 0.31 0.24 -0.65 1.44 7.12 -0.30 -2.12 115.31 121.35 1j1j h LEU 147 Ca 0.02 -0.14 0.08 0.00 0.13 0.00 0.00 57.88 57.98 1j1j h LEU 147 Cb 0.88 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.89 1j1j h LEU 147 CO 0.07 0.31 0.32 0.00 -0.13 0.00 0.00 178.44 179.01 1j1j h ALA 148 N 0.94 0.87 -0.83 1.25 0.00 -1.09 -0.10 119.26 120.29 1j1j h ALA 148 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1j1j h ALA 148 Cb 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1j1j h ALA 148 CO -0.01 -0.05 0.45 0.77 0.00 0.00 0.00 179.25 180.41 1j1j h SER 149 N 0.57 1.04 -0.53 0.00 0.02 -1.25 -0.77 113.55 112.63 1j1j h SER 149 Ca 0.31 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1j1j h SER 149 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1j1j h SER 149 CO -0.23 0.84 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.19 1j1j h GLU 150 N 1.16 0.99 -0.34 3.45 4.57 -0.65 -2.88 114.58 120.88 1j1j h GLU 150 Ca 0.29 -0.31 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1j1j h GLU 150 Cb 0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1j1j h GLU 150 CO -0.05 0.98 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.43 1j1j h LEU 151 N 0.90 0.70 -1.15 1.64 4.07 -0.57 0.04 115.31 120.94 1j1j h LEU 151 Ca 0.16 -0.26 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 1j1j h LEU 151 Cb 0.55 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1j1j h LEU 151 CO 0.03 0.94 -0.20 0.77 -1.08 0.00 0.00 178.44 178.90 1j1j h SER 152 N 0.59 0.35 -0.31 -0.43 4.64 -1.04 0.37 113.55 117.72 1j1j h SER 152 Ca 0.08 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 1j1j h SER 152 Cb 0.76 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1j1j h SER 152 CO 0.06 0.56 -0.37 -0.09 -0.87 0.00 0.00 176.83 176.12 1j1j h ARG 153 N 0.33 0.80 -0.71 4.77 2.43 -1.24 -3.08 114.38 117.67 1j1j h ARG 153 Ca 0.06 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 1j1j h ARG 153 Cb 0.54 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1j1j h ARG 153 CO 0.04 1.08 0.37 1.25 -1.51 0.00 0.00 179.97 181.20 1j1j h LEU 154 N 0.57 0.89 -0.53 3.80 6.46 -0.46 -2.38 115.31 123.66 1j1j h LEU 154 Ca 0.04 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1j1j h LEU 154 Cb 0.96 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.61 1j1j h LEU 154 CO 0.09 0.73 0.22 -1.28 -0.62 0.00 0.00 178.44 177.58 1j1j h SER 155 N 1.00 0.26 -0.15 1.25 0.87 -0.86 0.30 113.55 116.21 1j1j h SER 155 Ca 0.25 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1j1j h SER 155 Cb 0.05 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1j1j h SER 155 CO -0.04 0.17 0.06 0.58 -0.53 0.00 0.00 176.83 177.07 1j1j h VAL 156 N 0.42 1.16 0.00 2.23 2.07 -1.39 -2.86 116.25 117.88 1j1j h VAL 156 Ca 0.25 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1j1j h VAL 156 Cb 0.24 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1j1j h VAL 156 CO -0.23 0.15 -0.20 0.78 0.02 0.00 0.00 177.57 178.09 1j1j h ASN 157 N 0.08 0.00 -0.76 0.57 2.35 -0.92 -2.82 115.58 114.07 1j1j h ASN 157 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1j1j h ASN 157 Cb 0.18 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1j1j h ASN 157 CO -0.00 0.20 0.36 -1.28 -1.65 0.00 0.00 177.43 175.06 1j1j h SER 158 N 0.00 1.00 -0.44 5.81 0.87 -0.20 0.38 113.55 120.97 1j1j h SER 158 Ca -0.00 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1j1j h SER 158 Cb 0.51 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1j1j h SER 158 CO 0.03 0.85 0.03 0.58 -0.53 0.00 0.00 176.83 177.79 1j1j h VAL 159 N 1.07 1.25 -0.30 2.23 2.07 -1.44 0.16 116.25 121.29 1j1j h VAL 159 Ca 0.26 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1j1j h VAL 159 Cb 0.12 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1j1j h VAL 159 CO -0.03 0.34 0.08 0.74 0.02 0.00 0.00 177.57 178.71 1j1j h THR 160 N 0.60 1.14 0.00 2.57 2.02 -1.37 -0.13 112.91 117.74 1j1j h THR 160 Ca 0.13 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1j1j h THR 160 Cb 0.44 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1j1j h THR 160 CO 0.02 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.08 1j1j n ALA 161 N -2.48 2.48 -0.59 6.16 0.00 0.09 -4.90 120.51 121.27 1j1j n ALA 161 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1j1j n ALA 161 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.05 0.67 3.16 0.00 0.00 -0.06 -0.97 105.19 109.04 1j1j n GLY 162 Ca 0.16 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.31 5.37 0.00 1.61 3.68 0.47 -4.94 116.67 120.55 1j1j s ASP 163 Ca 0.00 -1.87 0.16 0.00 2.13 0.00 0.00 52.55 52.97 1j1j s ASP 163 Cb 0.00 -1.88 0.50 0.00 -1.45 0.00 0.00 42.92 40.10 1j1j s ASP 163 CO 0.00 -0.55 1.39 -1.22 0.13 0.00 0.00 175.17 174.93 1j1j n TYR 164 N 4.70 0.43 -0.13 -5.34 4.02 -1.26 -3.74 117.16 115.84 1j1j n TYR 164 Ca -0.05 -0.22 -0.22 0.00 -0.01 0.00 0.00 57.90 57.40 1j1j n TYR 164 Cb 0.42 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.63 1.99 -0.17 7.72 2.88 -1.26 -4.55 113.62 120.86 1j1j n SER 165 Ca 0.15 0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 1j1j n SER 165 Cb 0.36 -0.54 0.07 0.00 -0.75 0.00 0.00 64.21 63.35 1j1j n SER 165 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1j1j h ARG 166 N -0.34 0.14 -1.01 -1.46 3.08 -1.97 -1.66 114.38 111.15 1j1j h ARG 166 Ca -0.61 -0.01 0.25 0.00 0.07 0.00 0.00 59.98 59.67 1j1j h ARG 166 Cb 1.79 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 31.69 1j1j h ARG 166 CO -0.20 0.09 0.62 -1.35 -1.07 0.00 0.00 179.97 178.05 1j1j h PRO 167 N 0.14 0.54 -0.38 0.04 0.11 -1.80 0.21 132.00 130.86 1j1j h PRO 167 Ca 0.27 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.20 1j1j h PRO 167 Cb 0.41 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1j1j h PRO 167 CO -0.43 0.36 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.32 1j1j h LEU 168 N 0.55 0.95 -0.36 2.35 3.38 -1.55 -1.29 115.31 119.34 1j1j h LEU 168 Ca 0.63 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1j1j h LEU 168 Cb 1.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1j1j h LEU 168 CO -0.42 1.20 -0.03 0.45 0.09 0.00 0.00 178.44 179.73 1j1j h HIS 169 N 0.71 0.73 -0.70 1.13 3.86 -0.66 -2.59 115.15 117.63 1j1j h HIS 169 Ca 0.07 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1j1j h HIS 169 Cb 0.91 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 1j1j h HIS 169 CO 0.06 0.78 0.46 0.82 0.86 0.00 0.00 177.93 180.92 1j1j h ILE 170 N 0.47 1.18 -0.56 2.45 2.04 -0.61 0.51 117.51 122.98 1j1j h ILE 170 Ca 0.10 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1j1j h ILE 170 Cb 0.51 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1j1j h ILE 170 CO 0.02 0.17 0.22 -1.28 0.00 0.00 0.00 178.15 177.29 1j1j h SER 171 N 0.95 0.78 -0.22 1.72 0.87 -1.16 0.18 113.55 116.66 1j1j h SER 171 Ca 0.26 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1j1j h SER 171 Cb -0.10 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 1j1j h SER 171 CO -0.06 0.74 0.12 0.74 -0.53 0.00 0.00 176.83 177.84 1j1j h THR 172 N 0.77 1.12 -0.00 2.23 2.02 -1.13 -1.25 112.91 116.66 1j1j h THR 172 Ca 0.19 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1j1j h THR 172 Cb 0.21 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1j1j h THR 172 CO -0.01 0.11 -0.12 0.15 0.37 0.00 0.00 175.52 176.02 1j1j h PHE 173 N 0.25 -0.32 -0.01 3.16 3.57 -0.45 -0.59 116.94 122.55 1j1j h PHE 173 Ca 0.08 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1j1j h PHE 173 Cb 0.08 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1j1j h PHE 173 CO -0.03 -0.19 -0.15 0.82 -2.23 0.00 0.00 178.31 176.53 1j1j h ILE 174 N -0.21 1.11 -0.04 1.41 2.04 -0.56 -1.04 117.51 120.23 1j1j h ILE 174 Ca 0.05 -0.53 -0.16 0.00 1.00 0.00 0.00 64.86 65.22 1j1j h ILE 174 Cb 0.27 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1j1j h ILE 174 CO -0.13 0.15 -0.68 0.78 0.00 0.00 0.00 178.15 178.27 1j1j h ASN 175 N 0.02 0.23 -0.60 1.72 2.35 -0.58 -0.50 115.58 118.22 1j1j h ASN 175 Ca 0.00 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1j1j h ASN 175 Cb 0.27 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1j1j h ASN 175 CO 0.02 0.84 0.11 -0.33 -1.65 0.00 0.00 177.43 176.42 1j1j h GLU 176 N 0.13 0.99 -0.47 0.81 5.08 -0.09 -0.36 114.58 120.67 1j1j h GLU 176 Ca -0.02 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1j1j h GLU 176 Cb 1.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1j1j h GLU 176 CO 0.10 0.93 0.29 -0.07 -1.00 0.00 0.00 179.01 179.26 1j1j h LEU 177 N 0.89 0.56 -0.23 1.33 3.38 -0.91 0.46 115.31 120.80 1j1j h LEU 177 Ca 0.18 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1j1j h LEU 177 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1j1j h LEU 177 CO 0.01 0.44 0.10 -0.78 0.09 0.00 0.00 178.44 178.30 1j1j h ASP 178 N 0.63 0.14 -0.90 -0.43 -0.00 -0.79 -0.62 116.42 114.45 1j1j h ASP 178 Ca 0.17 0.01 0.05 0.00 -0.00 0.00 0.00 57.03 57.27 1j1j h ASP 178 Cb -0.02 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 39.24 1j1j h ASP 178 CO -0.03 0.11 0.57 0.28 -0.00 0.00 0.00 179.24 180.17 1j1j h SER 179 N 0.22 0.91 -0.44 2.28 0.02 -0.68 -2.34 113.55 113.53 1j1j h SER 179 Ca 0.10 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1j1j h SER 179 Cb 0.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1j1j h SER 179 CO -0.08 0.60 0.10 1.23 -1.14 0.00 0.00 176.83 177.54 1j1j h GLY 180 N 1.06 0.76 2.00 -3.77 0.00 -0.23 -2.70 103.07 100.19 1j1j h GLY 180 Ca 0.38 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1j1j h GLY 180 CO -0.16 0.44 -0.15 0.74 0.00 0.00 0.00 176.54 177.42 1j1j h PHE 181 N 0.58 0.00 0.00 5.60 0.04 -0.85 -2.17 116.94 120.13 1j1j h PHE 181 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1j1j h PHE 181 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1j1j h PHE 181 CO 0.02 0.15 0.00 -0.09 -0.60 0.00 0.00 178.31 177.79 1j1j h ARG 182 N 0.00 0.00 0.00 1.51 2.43 -1.08 -1.94 114.38 115.30 1j1j h ARG 182 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j1j h ARG 182 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1j1j h ARG 182 CO 0.02 0.00 -0.28 1.28 -1.51 0.00 0.00 179.97 179.48 1j1j n LEU 183 N -2.39 0.39 -4.92 3.80 4.77 -0.82 -4.91 117.00 112.92 1j1j n LEU 183 Ca 0.02 0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1j1j n LEU 183 Cb 0.25 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1j1j n LEU 183 CO 0.22 0.02 0.05 -0.76 -1.33 0.00 0.00 177.39 175.58 1j1j s LEU 184 N -3.37 4.21 -0.79 2.23 1.43 -0.73 -5.05 118.68 116.61 1j1j s LEU 184 Ca 0.11 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1j1j s LEU 184 Cb 0.17 -3.21 0.19 0.00 0.03 0.00 0.00 46.19 43.37 1j1j s LEU 184 CO 0.63 -0.06 0.62 0.21 0.23 0.00 0.00 176.35 177.97 1j1j s ASN 185 N -3.18 5.32 0.11 2.29 3.04 -1.26 -5.06 114.94 116.19 1j1j s ASN 185 Ca 0.39 -3.83 -0.31 0.00 0.04 0.00 0.00 52.86 49.15 1j1j s ASN 185 Cb -0.11 -1.75 -0.09 0.00 -1.54 0.00 0.00 41.25 37.77 1j1j s ASN 185 CO 0.29 -0.12 1.58 -0.76 -3.04 0.00 0.00 177.10 175.06 1j1j s LEU 186 N -1.45 4.36 -0.23 3.21 1.43 -1.26 -4.92 118.68 119.82 1j1j s LEU 186 Ca 0.26 2.50 -0.01 0.00 -1.03 0.00 0.00 54.13 55.85 1j1j s LEU 186 Cb -0.05 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.45 1j1j s LEU 186 CO -0.15 -0.83 -0.22 0.29 0.23 0.00 0.00 176.35 175.66 1j1j n LYS 187 N 4.81 0.55 -1.68 1.70 4.76 -1.26 -4.93 118.16 122.12 1j1j n LYS 187 Ca 0.15 0.15 -0.46 0.00 -2.87 0.00 0.00 58.31 55.28 1j1j n LYS 187 Cb 0.40 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 1j1j n LYS 187 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1j1j n ASN 188 N -3.36 3.34 0.07 4.39 2.85 -1.26 -4.90 115.26 116.39 1j1j n ASN 188 Ca -0.42 1.06 -0.05 0.00 -0.11 0.00 0.00 54.58 55.06 1j1j n ASN 188 Cb 0.91 -1.45 0.15 0.00 1.24 0.00 0.00 39.78 40.63 1j1j n ASN 188 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 1j1j h ASP 189 N 6.75 0.34 -0.05 1.20 2.03 -1.98 -0.62 116.42 124.09 1j1j h ASP 189 Ca -0.45 -0.17 -0.02 0.00 -0.73 0.00 0.00 57.03 55.66 1j1j h ASP 189 Cb 1.25 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1j1j h ASP 189 CO 0.91 0.78 -0.03 0.28 -1.03 0.00 0.00 179.24 180.15 1j1j h SER 190 N 0.25 0.11 -0.44 4.15 0.02 -1.99 -1.41 113.55 114.25 1j1j h SER 190 Ca 0.01 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1j1j h SER 190 Cb 0.96 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1j1j h SER 190 CO 0.08 0.53 0.15 0.25 -1.14 0.00 0.00 176.83 176.71 1j1j h LEU 191 N -0.31 0.63 -1.45 5.07 5.85 -1.94 0.15 115.31 123.31 1j1j h LEU 191 Ca 0.01 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1j1j h LEU 191 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1j1j h LEU 191 CO 0.01 0.65 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.65 1j1j h ARG 192 N 0.57 0.33 0.17 1.25 2.43 -1.13 0.20 114.38 118.21 1j1j h ARG 192 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1j1j h ARG 192 Cb 0.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1j1j h ARG 192 CO -0.01 0.38 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.52 1j1j h LYS 193 N 0.32 -0.23 -0.66 0.20 1.63 -0.62 -2.91 116.57 114.30 1j1j h LYS 193 Ca 0.07 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1j1j h LYS 193 Cb 0.25 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 1j1j h LYS 193 CO 0.01 0.11 0.40 -0.09 -3.45 0.00 0.00 179.45 176.43 1j1j h ARG 194 N -0.59 0.89 -0.00 1.90 2.43 -0.55 -2.10 114.38 116.35 1j1j h ARG 194 Ca -0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1j1j h ARG 194 Cb 0.44 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1j1j h ARG 194 CO 0.04 0.62 0.00 -0.92 -1.51 0.00 0.00 179.97 178.20 1j1j h TYR 195 N 0.91 0.00 0.00 2.20 3.20 -0.53 -0.86 116.97 121.88 1j1j h TYR 195 Ca 0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1j1j h TYR 195 Cb -0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1j1j h TYR 195 CO 0.00 0.00 0.00 -0.44 -1.64 0.00 0.00 178.16 176.08 1j1j h ASP 196 N 0.00 0.00 0.70 -2.11 3.32 -1.18 -2.47 116.42 114.68 1j1j h ASP 196 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j1j h ASP 196 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j1j h ASP 196 CO -0.00 0.00 -0.19 0.61 -1.72 0.00 0.00 179.24 177.94 1j1j n GLY 197 N -0.04 -1.31 0.24 2.75 0.00 -0.33 -4.06 105.19 102.44 1j1j n GLY 197 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 0.11 0.75 -1.68 0.99 5.85 -1.55 -2.89 115.31 116.90 1j1j h LEU 198 Ca 0.00 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.59 1j1j h LEU 198 Cb 0.47 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1j1j h LEU 198 CO 0.00 0.78 0.38 0.07 -0.34 0.00 0.00 178.44 179.33 1j1j h LYS 199 N 0.69 0.36 -0.71 1.25 2.10 -1.78 0.14 116.57 118.62 1j1j h LYS 199 Ca 0.16 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.72 1j1j h LYS 199 Cb 0.32 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.54 1j1j h LYS 199 CO 0.00 0.24 0.17 -0.92 -2.00 0.00 0.00 179.45 176.93 1j1j h TYR 200 N 0.37 1.19 -0.31 0.07 3.20 -1.75 -0.66 116.97 119.07 1j1j h TYR 200 Ca 0.26 -0.14 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 1j1j h TYR 200 Cb 0.53 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1j1j h TYR 200 CO -0.00 0.97 -0.36 -0.44 -1.64 0.00 0.00 178.16 176.68 1j1j h ASP 201 N 1.07 0.75 -0.26 -2.11 3.32 -0.82 -1.26 116.42 117.11 1j1j h ASP 201 Ca 0.22 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1j1j h ASP 201 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1j1j h ASP 201 CO 0.00 1.04 0.15 0.58 -1.72 0.00 0.00 179.24 179.29 1j1j h VAL 202 N 0.59 1.10 -0.50 -1.35 2.07 -0.60 -2.35 116.25 115.22 1j1j h VAL 202 Ca 0.06 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1j1j h VAL 202 Cb 0.89 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1j1j h VAL 202 CO 0.08 0.10 0.02 0.11 0.02 0.00 0.00 177.57 177.90 1j1j h LYS 203 N 0.33 0.87 0.14 1.57 1.57 -1.04 -1.50 116.57 118.50 1j1j h LYS 203 Ca 0.09 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1j1j h LYS 203 Cb 0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1j1j h LYS 203 CO -0.02 0.90 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.30 1j1j h LYS 204 N 0.73 -0.43 -0.42 3.15 3.64 -1.08 -0.26 116.57 121.90 1j1j h LYS 204 Ca 0.14 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1j1j h LYS 204 Cb 0.49 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1j1j h LYS 204 CO 0.02 -0.29 -0.03 0.28 -2.27 0.00 0.00 179.45 177.16 1j1j h VAL 205 N -0.45 1.24 0.00 2.00 2.07 -1.40 -1.86 116.25 117.84 1j1j h VAL 205 Ca 0.02 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1j1j h VAL 205 Cb 0.46 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1j1j h VAL 205 CO -0.12 0.34 -0.22 -0.33 0.02 0.00 0.00 177.57 177.27 1j1j h GLU 206 N 0.65 0.00 -0.04 1.57 5.08 -0.93 -1.79 114.58 119.12 1j1j h GLU 206 Ca 0.13 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1j1j h GLU 206 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1j1j h GLU 206 CO 0.02 0.22 -0.62 1.49 -1.00 0.00 0.00 179.01 179.12 1j1j h GLU 207 N 0.00 0.14 -0.33 2.33 4.81 -0.23 -1.54 114.58 119.75 1j1j h GLU 207 Ca -0.00 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1j1j h GLU 207 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1j1j h GLU 207 CO 0.03 0.71 -0.22 0.28 -0.73 0.00 0.00 179.01 179.08 1j1j h VAL 208 N 0.10 1.29 -0.75 0.32 2.07 -0.97 -1.24 116.25 117.08 1j1j h VAL 208 Ca -0.01 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1j1j h VAL 208 Cb 1.12 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1j1j h VAL 208 CO 0.09 0.44 0.49 0.58 0.02 0.00 0.00 177.57 179.19 1j1j h VAL 209 N 0.51 1.18 0.13 2.57 2.07 -1.18 -1.17 116.25 120.35 1j1j h VAL 209 Ca 0.07 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1j1j h VAL 209 Cb 0.77 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1j1j h VAL 209 CO 0.06 0.18 -0.18 0.22 0.02 0.00 0.00 177.57 177.88 1j1j h TYR 210 N 0.99 -0.46 -0.78 1.57 3.20 -1.09 0.23 116.97 120.63 1j1j h TYR 210 Ca 0.28 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 1j1j h TYR 210 Cb -0.09 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 1j1j h TYR 210 CO -0.02 -0.26 0.47 -0.44 -1.64 0.00 0.00 178.16 176.26 1j1j h ASP 211 N -0.36 0.73 -0.30 -2.11 3.32 -0.82 0.75 116.42 117.62 1j1j h ASP 211 Ca 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1j1j h ASP 211 Cb 0.36 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1j1j h ASP 211 CO -0.08 0.47 0.04 -0.07 -1.72 0.00 0.00 179.24 177.88 1j1j h LEU 212 N 0.86 0.49 -0.10 1.55 4.07 -0.84 -3.23 115.31 118.12 1j1j h LEU 212 Ca 0.34 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1j1j h LEU 212 Cb 0.17 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1j1j h LEU 212 CO -0.17 0.63 0.03 -1.28 -1.08 0.00 0.00 178.44 176.57 1j1j h SER 213 N 0.33 0.13 0.04 -0.43 0.87 0.09 -0.42 113.55 114.17 1j1j h SER 213 Ca 0.09 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1j1j h SER 213 Cb 0.36 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1j1j h SER 213 CO 0.01 0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.58 1j1j n ILE 214 N -4.92 0.19 -0.09 2.23 3.06 0.20 -1.34 119.36 118.70 1j1j n ILE 214 Ca -0.06 0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1j1j n ILE 214 Cb 0.12 -0.89 0.00 0.00 0.54 0.00 0.00 39.64 39.41 1j1j n ILE 214 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1j1j n ARG 215 N -1.07 2.80 -2.84 9.51 1.74 -1.03 -5.01 116.66 120.76 1j1j n ARG 215 Ca 0.07 -1.49 -0.10 0.00 -0.77 0.00 0.00 57.85 55.55 1j1j n ARG 215 Cb 0.04 -0.99 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.51 0.02 0.00 -0.13 0.00 -0.45 -5.08 105.19 99.04 1j1j n GLY 216 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1j1j n GLY 216 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01