#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 5.53 0.21 7.83 1.04 -1.26 -4.90 113.70 122.14 1j1j s SER 2 Ca 0.00 0.62 -0.10 0.00 0.48 0.00 0.00 55.95 56.95 1j1j s SER 2 Cb 0.00 -1.60 0.21 0.00 0.10 0.00 0.00 66.02 64.73 1j1j s SER 2 CO 0.00 -1.08 1.82 0.58 0.98 0.00 0.00 173.24 175.54 1j1j h VAL 3 N -0.15 1.02 -0.49 5.02 2.07 -2.05 -0.72 116.25 120.95 1j1j h VAL 3 Ca -0.45 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1j1j h VAL 3 Cb 1.26 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1j1j h VAL 3 CO 0.60 0.14 -0.00 0.77 0.02 0.00 0.00 177.57 179.09 1j1j h SER 4 N 0.74 0.78 -0.67 0.57 4.64 -1.99 -1.24 113.55 116.39 1j1j h SER 4 Ca 0.28 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1j1j h SER 4 Cb 0.11 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1j1j h SER 4 CO -0.15 0.85 0.11 -0.33 -0.87 0.00 0.00 176.83 176.44 1j1j h GLU 5 N 0.75 1.11 -0.16 4.77 5.08 -1.71 -0.22 114.58 124.20 1j1j h GLU 5 Ca 0.15 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1j1j h GLU 5 Cb 0.46 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1j1j h GLU 5 CO 0.02 1.01 0.06 0.82 -1.00 0.00 0.00 179.01 179.92 1j1j h ILE 6 N 1.03 1.17 -0.05 3.13 2.04 -0.80 -2.75 117.51 121.27 1j1j h ILE 6 Ca 0.20 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 1j1j h ILE 6 Cb 0.44 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1j1j h ILE 6 CO 0.01 0.16 -0.52 -0.26 0.00 0.00 0.00 178.15 177.54 1j1j h PHE 7 N 0.09 0.16 -0.60 1.37 -1.00 -1.09 -1.55 116.94 114.33 1j1j h PHE 7 Ca 0.05 -0.05 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1j1j h PHE 7 Cb 0.19 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 1j1j h PHE 7 CO -0.01 0.62 0.13 -0.24 -1.61 0.00 0.00 178.31 177.20 1j1j h VAL 8 N 0.11 1.24 -0.36 -0.55 3.04 -1.01 0.39 116.25 119.11 1j1j h VAL 8 Ca 0.00 -0.90 -0.07 0.00 -1.01 0.00 0.00 66.70 64.72 1j1j h VAL 8 Cb 0.95 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1j1j h VAL 8 CO 0.07 0.34 -0.06 -0.08 -1.01 0.00 0.00 177.57 176.84 1j1j h GLU 9 N 0.90 0.68 0.00 4.17 4.81 -1.16 -2.70 114.58 121.27 1j1j h GLU 9 Ca 0.19 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1j1j h GLU 9 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1j1j h GLU 9 CO 0.00 0.82 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.74 1j1j h LEU 10 N 0.48 0.00 -0.95 1.64 3.38 -0.98 -2.05 115.31 116.83 1j1j h LEU 10 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1j1j h LEU 10 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1j1j h LEU 10 CO 0.03 0.29 0.18 -0.61 0.09 0.00 0.00 178.44 178.42 1j1j h GLN 11 N 0.00 0.95 -0.12 1.13 4.15 -0.61 0.34 115.11 120.95 1j1j h GLN 11 Ca -0.00 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1j1j h GLN 11 Cb 0.54 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1j1j h GLN 11 CO 0.04 0.82 0.03 0.78 -1.93 0.00 0.00 178.83 178.57 1j1j h GLY 12 N 1.03 0.21 0.98 2.39 0.00 -1.16 -0.20 103.07 106.32 1j1j h GLY 12 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1j1j h GLY 12 CO -0.01 0.12 0.24 0.74 0.00 0.00 0.00 176.54 177.63 1j1j h PHE 13 N 0.01 0.55 -0.65 5.60 0.04 -1.14 -1.74 116.94 119.61 1j1j h PHE 13 Ca 0.04 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1j1j h PHE 13 Cb 0.24 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1j1j h PHE 13 CO 0.00 0.40 0.22 -0.07 -0.60 0.00 0.00 178.31 178.26 1j1j h LEU 14 N 0.54 0.90 -0.39 1.54 3.38 -0.86 -2.18 115.31 118.25 1j1j h LEU 14 Ca 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1j1j h LEU 14 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1j1j h LEU 14 CO -0.03 0.84 0.16 0.00 0.09 0.00 0.00 178.44 179.50 1j1j h ALA 15 N 1.29 0.50 -0.20 1.53 0.00 -0.57 -1.50 119.26 120.31 1j1j h ALA 15 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1j1j h ALA 15 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j1j h ALA 15 CO -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 179.25 179.27 1j1j h ALA 16 N 1.01 1.51 -0.34 0.00 0.00 -1.12 -2.05 119.26 118.27 1j1j h ALA 16 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1j1j h ALA 16 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1j1j h ALA 16 CO -0.01 0.35 -0.10 1.49 0.00 0.00 0.00 179.25 180.98 1j1j h GLU 17 N 0.30 0.68 -0.90 0.00 4.81 -0.95 -2.06 114.58 116.44 1j1j h GLU 17 Ca 0.06 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1j1j h GLU 17 Cb 0.32 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1j1j h GLU 17 CO 0.01 0.85 0.54 0.37 -0.73 0.00 0.00 179.01 180.05 1j1j h GLN 18 N 0.46 1.23 -0.43 1.92 -0.00 -0.89 -1.37 115.11 116.03 1j1j h GLN 18 Ca 0.09 -0.12 -0.10 0.00 -0.00 0.00 0.00 58.65 58.52 1j1j h GLN 18 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 1j1j h GLN 18 CO 0.04 0.87 -0.12 -0.44 0.00 0.00 0.00 178.83 179.18 1j1j h ASP 19 N 1.25 0.77 0.24 -0.69 3.32 -1.20 -1.15 116.42 118.96 1j1j h ASP 19 Ca 0.32 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1j1j h ASP 19 Cb -0.04 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1j1j h ASP 19 CO -0.06 0.91 -0.11 0.40 -1.72 0.00 0.00 179.24 178.66 1j1j h ILE 20 N 0.71 0.82 -0.76 0.35 2.04 -0.79 -1.64 117.51 118.23 1j1j h ILE 20 Ca 0.12 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.73 1j1j h ILE 20 Cb 0.60 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1j1j h ILE 20 CO 0.04 0.08 0.50 0.03 0.00 0.00 0.00 178.15 178.80 1j1j h ARG 21 N -0.50 0.61 -0.32 2.37 3.08 -1.11 -0.03 114.38 118.48 1j1j h ARG 21 Ca -0.03 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1j1j h ARG 21 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1j1j h ARG 21 CO 0.05 0.40 -0.37 0.93 -1.07 0.00 0.00 179.97 179.91 1j1j h GLU 22 N 0.63 0.75 -0.29 0.04 4.39 -0.97 -0.33 114.58 118.79 1j1j h GLU 22 Ca 0.36 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1j1j h GLU 22 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1j1j h GLU 22 CO -0.13 1.00 -0.35 0.93 -1.16 0.00 0.00 179.01 179.29 1j1j h GLU 23 N 0.62 0.65 -0.18 2.33 4.39 -0.28 -2.49 114.58 119.62 1j1j h GLU 23 Ca 0.06 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 1j1j h GLU 23 Cb 0.92 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1j1j h GLU 23 CO 0.08 0.90 0.03 0.82 -1.16 0.00 0.00 179.01 179.69 1j1j h ILE 24 N 0.54 1.22 -1.01 3.13 2.04 -0.83 -2.91 117.51 119.69 1j1j h ILE 24 Ca 0.06 -0.69 0.13 0.00 1.00 0.00 0.00 64.86 65.35 1j1j h ILE 24 Cb 0.86 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 38.19 1j1j h ILE 24 CO 0.07 0.21 0.63 0.03 0.00 0.00 0.00 178.15 179.10 1j1j h ARG 25 N 0.08 0.93 -0.52 2.37 3.08 -0.90 -0.43 114.38 119.00 1j1j h ARG 25 Ca 0.05 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1j1j h ARG 25 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1j1j h ARG 25 CO 0.00 0.62 -0.15 0.87 -1.07 0.00 0.00 179.97 180.24 1j1j h LYS 26 N 0.96 1.02 -0.33 0.04 1.57 -1.30 -0.92 116.57 117.61 1j1j h LYS 26 Ca 0.51 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 1j1j h LYS 26 Cb 0.56 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1j1j h LYS 26 CO -0.29 1.09 -0.45 0.28 -0.57 0.00 0.00 179.45 179.51 1j1j h VAL 27 N 0.89 1.28 -0.81 0.50 2.07 -1.22 -2.73 116.25 116.24 1j1j h VAL 27 Ca 0.13 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1j1j h VAL 27 Cb 0.73 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1j1j h VAL 27 CO 0.06 0.54 0.46 0.58 0.02 0.00 0.00 177.57 179.23 1j1j h VAL 28 N 0.70 1.24 -0.92 2.57 2.07 -0.95 0.51 116.25 121.46 1j1j h VAL 28 Ca 0.04 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1j1j h VAL 28 Cb 1.04 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1j1j h VAL 28 CO 0.10 0.26 0.61 -0.61 0.02 0.00 0.00 177.57 177.95 1j1j h GLN 29 N 1.12 1.18 -0.31 1.57 5.75 -1.07 0.18 115.11 123.54 1j1j h GLN 29 Ca 0.29 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1j1j h GLN 29 Cb 0.00 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 1j1j h GLN 29 CO -0.05 0.78 0.12 0.77 -2.65 0.00 0.00 178.83 177.80 1j1j h SER 30 N 1.22 0.43 -0.49 -0.69 0.02 -1.01 -2.25 113.55 110.78 1j1j h SER 30 Ca 0.35 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1j1j h SER 30 Cb -0.09 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1j1j h SER 30 CO -0.09 0.49 0.30 -0.07 -1.14 0.00 0.00 176.83 176.32 1j1j h LEU 31 N 0.34 0.48 -1.52 5.07 -0.00 -0.16 -1.95 115.31 117.57 1j1j h LEU 31 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 1j1j h LEU 31 Cb 0.20 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 1j1j h LEU 31 CO -0.01 0.34 0.08 -0.33 -0.00 0.00 0.00 178.44 178.53 1j1j h GLU 32 N 0.59 0.40 -0.23 1.13 5.08 -0.51 -0.57 114.58 120.47 1j1j h GLU 32 Ca 0.20 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1j1j h GLU 32 Cb 0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1j1j h GLU 32 CO -0.08 0.36 -0.04 0.37 -1.00 0.00 0.00 179.01 178.61 1j1j h GLN 33 N 0.40 0.44 -0.76 2.33 4.15 -0.78 -1.49 115.11 119.40 1j1j h GLN 33 Ca 0.10 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1j1j h GLN 33 Cb 0.13 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1j1j h GLN 33 CO -0.01 0.66 0.38 1.15 -1.93 0.00 0.00 178.83 179.08 1j1j h THR 34 N 0.19 1.24 -0.52 2.39 2.02 -0.88 -1.74 112.91 115.60 1j1j h THR 34 Ca 0.06 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.60 1j1j h THR 34 Cb 0.49 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1j1j h THR 34 CO 0.02 0.28 0.32 0.00 0.37 0.00 0.00 175.52 176.51 1j1j h ALA 35 N 1.19 0.66 -0.88 6.16 0.00 -0.98 -0.50 119.26 124.91 1j1j h ALA 35 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1j1j h ALA 35 Cb 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1j1j h ALA 35 CO -0.04 0.05 0.58 0.00 0.00 0.00 0.00 179.25 179.85 1j1j h ARG 36 N 0.65 1.14 -0.42 0.00 3.08 -0.83 -0.88 114.38 117.12 1j1j h ARG 36 Ca 0.20 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 1j1j h ARG 36 Cb -0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 1j1j h ARG 36 CO -0.07 0.75 -0.28 0.93 -1.07 0.00 0.00 179.97 180.23 1j1j h GLU 37 N 1.17 0.90 -0.52 0.04 5.08 -0.53 -2.04 114.58 118.68 1j1j h GLU 37 Ca 0.33 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1j1j h GLU 37 Cb -0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1j1j h GLU 37 CO -0.08 1.06 0.09 0.82 -1.00 0.00 0.00 179.01 179.90 1j1j h ILE 38 N 0.76 1.25 0.24 3.13 2.04 -0.43 -2.05 117.51 122.46 1j1j h ILE 38 Ca 0.09 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1j1j h ILE 38 Cb 0.84 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1j1j h ILE 38 CO 0.07 0.34 -0.15 0.25 0.00 0.00 0.00 178.15 178.66 1j1j h LEU 39 N 0.75 -0.39 -0.64 1.44 5.85 -1.09 0.52 115.31 121.76 1j1j h LEU 39 Ca 0.16 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.04 1j1j h LEU 39 Cb 0.40 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 1j1j h LEU 39 CO 0.01 -0.25 0.02 0.74 -0.34 0.00 0.00 178.44 178.62 1j1j h THR 40 N -0.39 0.48 -0.70 1.05 2.02 -1.29 0.49 112.91 114.57 1j1j h THR 40 Ca -0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1j1j h THR 40 Cb 0.33 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1j1j h THR 40 CO 0.02 0.02 0.44 0.25 0.37 0.00 0.00 175.52 176.63 1j1j h LEU 41 N 0.13 0.82 0.00 2.58 6.46 -0.76 -2.86 115.31 121.68 1j1j h LEU 41 Ca 0.34 -0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 57.92 1j1j h LEU 41 Cb 0.56 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1j1j h LEU 41 CO -0.54 0.61 -1.11 -0.07 -0.62 0.00 0.00 178.44 176.71 1j1j h LEU 42 N 0.96 0.00 0.00 2.25 3.38 0.14 -3.32 115.31 118.73 1j1j h LEU 42 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1j1j h LEU 42 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j1j h LEU 42 CO -0.05 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1j1j n GLN 43 N -2.99 0.01 0.31 1.13 6.02 0.14 -1.91 117.38 120.09 1j1j n GLN 43 Ca -0.06 0.23 0.19 0.00 -0.01 0.00 0.00 57.00 57.35 1j1j n GLN 43 Cb 0.80 -1.50 0.96 0.00 1.02 0.00 0.00 30.24 31.52 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 2.68 0.00 1.94 1.08 0.00 -1.65 -1.79 103.07 105.33 1j1j h GLY 44 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1j1j h GLY 44 CO 0.00 0.00 0.02 -2.08 0.00 0.00 0.00 176.54 174.48 1j1j h VAL 45 N 0.00 0.82 0.00 4.60 2.07 -1.64 -1.55 116.25 120.54 1j1j h VAL 45 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j1j h VAL 45 Cb 0.21 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1j1j h VAL 45 CO 0.00 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.00 1j1j n HIS 46 N -4.29 0.12 -0.00 1.57 -0.00 -0.67 -3.41 115.22 108.54 1j1j n HIS 46 Ca -0.02 0.04 0.01 0.00 -0.00 0.00 0.00 57.72 57.75 1j1j n HIS 46 Cb 0.12 -0.57 -0.01 0.00 -0.00 0.00 0.00 29.99 29.52 1j1j n HIS 46 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1j1j n GLN 47 N -1.61 0.39 -1.65 -0.41 6.02 -0.66 -4.89 117.38 114.58 1j1j n GLN 47 Ca 0.04 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.86 1j1j n GLN 47 Cb 0.23 -1.04 -0.09 0.00 1.02 0.00 0.00 30.24 30.35 1j1j n GLN 47 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1j1j s GLY 48 N -2.29 -0.89 -0.21 1.08 0.00 -0.75 -4.76 107.32 99.49 1j1j s GLY 48 Ca -0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 1j1j s GLY 48 CO 0.07 4.19 1.26 0.00 0.00 0.00 0.00 173.10 178.62 1j1j n ALA 49 N 18.79 2.00 0.00 3.20 0.00 -1.26 -0.84 120.51 142.40 1j1j n ALA 49 Ca 0.43 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1j1j n ALA 49 Cb 0.46 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1j1j n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j1j n GLY 50 N 3.76 0.01 2.48 0.00 0.00 -1.26 -4.92 105.19 105.26 1j1j n GLY 50 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.31 0.00 1.60 1.61 3.01 -0.02 -4.84 117.46 118.51 1j1j n PHE 51 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1j1j n PHE 51 Cb 0.00 -1.29 0.82 0.00 -0.01 0.00 0.00 39.48 38.99 1j1j n PHE 51 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1j1j n GLN 52 N -1.29 0.61 0.00 -1.08 6.02 -1.26 -3.03 117.38 117.35 1j1j n GLN 52 Ca -0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.10 1j1j n GLN 52 Cb 0.29 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 30.53 1j1j n GLN 52 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1j1j n ASP 53 N -1.19 1.34 0.01 1.08 3.85 -1.26 -4.55 116.55 115.82 1j1j n ASP 53 Ca 0.17 -1.30 -0.15 0.00 -0.71 0.00 0.00 54.79 52.80 1j1j n ASP 53 Cb 0.19 0.04 -0.10 0.00 -1.35 0.00 0.00 41.12 39.91 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 1.97 0.01 -0.28 2.12 1.08 -1.95 -0.84 117.51 119.62 1j1j h ILE 54 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1j1j h ILE 54 Cb 0.50 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 1j1j h ILE 54 CO 0.00 0.00 -0.08 -0.65 -0.69 0.00 0.00 178.15 176.73 1j1j h PRO 55 N -0.61 -0.02 -0.49 2.37 0.11 -1.88 0.69 132.00 132.16 1j1j h PRO 55 Ca 0.03 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.22 1j1j h PRO 55 Cb 0.69 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.74 1j1j h PRO 55 CO -0.42 -0.02 0.10 -0.22 -0.21 0.00 0.00 178.00 177.24 1j1j h LYS 56 N -0.02 0.24 -0.64 1.05 3.64 -1.80 0.18 116.57 119.21 1j1j h LYS 56 Ca 0.14 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1j1j h LYS 56 Cb 0.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1j1j h LYS 56 CO -0.30 0.16 0.11 0.00 -2.27 0.00 0.00 179.45 177.15 1j1j h ARG 57 N 0.24 1.03 -0.41 1.90 3.08 -0.48 -1.55 114.38 118.20 1j1j h ARG 57 Ca 0.25 -0.26 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1j1j h ARG 57 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1j1j h ARG 57 CO -0.31 0.94 -0.31 0.00 -1.07 0.00 0.00 179.97 179.22 1j1j h LEU 59 N 0.75 1.01 -0.78 0.00 3.38 -0.51 0.49 115.31 119.65 1j1j h LEU 59 Ca 0.08 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1j1j h LEU 59 Cb 0.89 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1j1j h LEU 59 CO 0.08 1.02 0.07 0.11 0.09 0.00 0.00 178.44 179.81 1j1j h LYS 60 N 0.96 0.99 -0.33 1.13 1.57 -1.21 0.16 116.57 119.84 1j1j h LYS 60 Ca 0.19 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1j1j h LYS 60 Cb 0.44 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1j1j h LYS 60 CO 0.01 0.93 0.13 0.00 -0.57 0.00 0.00 179.45 179.95 1j1j h ALA 61 N 1.14 0.43 -0.73 3.86 0.00 -0.81 -1.44 119.26 121.72 1j1j h ALA 61 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j1j h ALA 61 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1j1j h ALA 61 CO 0.02 0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.70 1j1j h ARG 62 N 0.39 1.02 -0.60 0.00 3.08 -0.49 0.42 114.38 118.19 1j1j h ARG 62 Ca 0.11 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1j1j h ARG 62 Cb 0.19 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1j1j h ARG 62 CO -0.01 0.75 0.32 1.49 -1.07 0.00 0.00 179.97 181.45 1j1j h GLU 63 N 1.02 0.59 0.00 0.04 4.81 -0.17 -1.29 114.58 119.58 1j1j h GLU 63 Ca 0.26 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1j1j h GLU 63 Cb 0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1j1j h GLU 63 CO -0.04 0.39 -0.31 0.45 -0.73 0.00 0.00 179.01 178.77 1j1j h HIS 64 N 0.61 0.00 0.00 0.92 3.86 -0.14 -1.89 115.15 118.50 1j1j h HIS 64 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1j1j h HIS 64 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1j1j h HIS 64 CO -0.09 0.31 0.00 1.19 0.86 0.00 0.00 177.93 180.20 1j1j n PHE 65 N -4.09 0.13 0.06 2.45 3.01 0.01 -1.19 117.46 117.84 1j1j n PHE 65 Ca -0.02 0.05 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1j1j n PHE 65 Cb 0.36 -0.59 0.04 0.00 -0.01 0.00 0.00 39.48 39.29 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 2.03 0.41 1.69 1.37 0.00 -1.17 -2.32 103.07 105.07 1j1j h GLY 66 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 1j1j h GLY 66 CO 0.00 0.51 -0.57 -0.84 0.00 0.00 0.00 176.54 175.64 1j1j h THR 67 N 0.26 1.36 -0.65 4.70 2.02 -1.28 -3.05 112.91 116.27 1j1j h THR 67 Ca -0.02 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.22 1j1j h THR 67 Cb 1.27 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 1j1j h THR 67 CO 0.12 0.56 0.19 0.58 0.37 0.00 0.00 175.52 177.34 1j1j h VAL 68 N 0.25 1.25 -0.55 3.16 2.07 -1.24 -2.52 116.25 118.66 1j1j h VAL 68 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1j1j h VAL 68 Cb 1.07 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1j1j h VAL 68 CO 0.09 0.34 0.36 0.11 0.02 0.00 0.00 177.57 178.50 1j1j h LYS 69 N 0.95 0.73 -0.51 1.57 1.57 -1.33 -1.25 116.57 118.30 1j1j h LYS 69 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1j1j h LYS 69 Cb 0.32 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1j1j h LYS 69 CO -0.00 0.49 0.25 1.79 -0.57 0.00 0.00 179.45 181.41 1j1j h THR 70 N 0.75 1.19 -0.39 -0.16 1.35 -1.41 0.12 112.91 114.36 1j1j h THR 70 Ca 0.20 -0.53 -0.04 0.00 -0.55 0.00 0.00 66.41 65.50 1j1j h THR 70 Cb -0.08 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 66.92 1j1j h THR 70 CO -0.04 0.21 0.08 0.45 -0.25 0.00 0.00 175.52 175.96 1j1j h HIS 71 N 0.68 0.59 -0.00 4.73 3.86 -1.19 -0.91 115.15 122.90 1j1j h HIS 71 Ca 0.18 -0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1j1j h HIS 71 Cb 0.10 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1j1j h HIS 71 CO -0.01 0.53 -0.79 -0.07 0.86 0.00 0.00 177.93 178.44 1j1j h LEU 72 N 0.57 0.03 -0.37 2.43 3.38 -0.78 0.39 115.31 120.96 1j1j h LEU 72 Ca 0.13 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1j1j h LEU 72 Cb 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1j1j h LEU 72 CO -0.00 0.81 0.08 0.74 0.09 0.00 0.00 178.44 180.16 1j1j h THR 73 N 0.01 1.23 -0.54 0.22 2.02 -0.25 -1.93 112.91 113.68 1j1j h THR 73 Ca -0.01 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1j1j h THR 73 Cb 1.40 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1j1j h THR 73 CO 0.11 0.28 0.28 -1.28 0.37 0.00 0.00 175.52 175.27 1j1j h SER 74 N 0.46 0.68 -0.81 4.18 0.87 -1.01 -2.65 113.55 115.28 1j1j h SER 74 Ca 0.12 -0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1j1j h SER 74 Cb 0.33 -0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.04 1j1j h SER 74 CO 0.00 0.60 0.44 0.25 -0.53 0.00 0.00 176.83 177.60 1j1j h LEU 75 N 0.72 0.61 -2.75 2.23 5.85 -0.63 0.36 115.31 121.70 1j1j h LEU 75 Ca 0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1j1j h LEU 75 Cb 0.08 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1j1j h LEU 75 CO -0.03 0.33 0.03 0.50 -0.34 0.00 0.00 178.44 178.93 1j1j h LYS 76 N 0.72 0.00 0.00 1.25 3.11 -0.98 -2.15 116.57 118.52 1j1j h LYS 76 Ca 0.40 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 58.08 1j1j h LYS 76 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1j1j h LYS 76 CO -0.28 0.00 -0.78 1.15 -2.81 0.00 0.00 179.45 176.73 1j1j h THR 77 N 0.00 1.36 0.00 1.00 2.02 -0.88 -3.36 112.91 113.05 1j1j h THR 77 Ca 0.01 -2.87 0.00 0.00 0.77 0.00 0.00 66.41 64.31 1j1j h THR 77 Cb 0.07 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1j1j h THR 77 CO -0.00 0.76 0.00 0.29 0.37 0.00 0.00 175.52 176.94 1j1j n LYS 78 N -3.32 0.28 -3.76 6.66 4.01 -0.81 -4.90 118.16 116.32 1j1j n LYS 78 Ca 0.01 0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.74 1j1j n LYS 78 Cb 0.84 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.80 1j1j n LYS 78 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1j1j s PHE 79 N -2.69 -0.00 -0.11 2.13 -0.12 -1.26 -4.79 117.98 111.14 1j1j s PHE 79 Ca 0.22 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 56.45 1j1j s PHE 79 Cb 0.18 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1j1j s PHE 79 CO 0.43 -0.68 1.47 -2.14 -0.05 0.00 0.00 175.22 174.25 1j1j s PRO 80 N -3.85 4.20 0.49 1.99 0.02 -1.26 -4.87 135.00 131.71 1j1j s PRO 80 Ca 0.06 1.94 0.26 0.00 0.02 0.00 0.00 61.00 63.28 1j1j s PRO 80 Cb 0.03 -3.88 1.31 0.00 0.02 0.00 0.00 34.50 31.97 1j1j s PRO 80 CO -0.09 -0.79 1.87 0.00 -0.33 0.00 0.00 177.00 177.67 1j1j h ALA 81 N 8.94 2.57 -0.37 -1.55 0.00 -1.98 0.69 119.26 127.55 1j1j h ALA 81 Ca -0.33 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1j1j h ALA 81 Cb 1.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1j1j h ALA 81 CO 0.96 -0.84 0.34 1.05 0.00 0.00 0.00 179.25 180.76 1j1j h GLU 82 N 0.17 0.00 -1.41 0.00 4.11 -1.97 -2.84 114.58 112.64 1j1j h GLU 82 Ca 0.45 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 59.29 1j1j h GLU 82 Cb 1.48 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.31 1j1j h GLU 82 CO -0.09 0.00 -0.74 0.00 0.07 0.00 0.00 179.01 178.25 1j1j n GLN 83 N -3.99 3.45 -0.21 1.06 10.64 0.23 -4.84 117.38 123.72 1j1j n GLN 83 Ca 0.06 -4.46 0.01 0.00 -1.83 0.00 0.00 57.00 50.78 1j1j n GLN 83 Cb 0.51 -2.25 0.12 0.00 -0.86 0.00 0.00 30.24 27.76 1j1j n GLN 83 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1j1j h TYR 84 N 2.52 0.41 0.00 2.61 5.03 -1.62 -1.85 116.97 124.07 1j1j h TYR 84 Ca 0.31 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.65 1j1j h TYR 84 Cb 1.01 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1j1j h TYR 84 CO 0.82 0.09 0.00 0.66 -1.32 0.00 0.00 178.16 178.41 1j1j n TYR 85 N -5.00 0.79 0.19 -3.82 4.02 -1.26 -0.68 117.16 111.40 1j1j n TYR 85 Ca 0.10 0.28 0.06 0.00 -0.01 0.00 0.00 57.90 58.33 1j1j n TYR 85 Cb 0.30 -0.96 0.35 0.00 -0.02 0.00 0.00 39.34 39.01 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 0.00 -0.00 -0.72 2.43 -1.72 -3.29 114.38 111.08 1j1j h ARG 86 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j1j h ARG 86 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1j1j h ARG 86 CO 0.00 0.36 -0.00 1.19 -1.51 0.00 0.00 179.97 180.01 1j1j n PHE 87 N -3.53 0.00 -0.34 2.20 3.01 -0.99 -4.79 117.46 113.02 1j1j n PHE 87 Ca -0.00 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.70 1j1j n PHE 87 Cb 0.50 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.45 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 0.00 0.88 -0.46 1.38 2.76 -0.97 0.10 115.15 118.85 1j1j h HIS 88 Ca 0.00 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.34 1j1j h HIS 88 Cb 0.00 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1j1j h HIS 88 CO 0.00 -0.11 0.37 1.49 -1.30 0.00 0.00 177.93 178.37 1j1j h GLU 89 N 0.36 0.00 0.00 5.26 4.57 -1.86 -0.80 114.58 122.10 1j1j h GLU 89 Ca 0.71 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.82 1j1j h GLU 89 Cb 1.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 1j1j h GLU 89 CO -0.53 0.00 -0.35 0.45 -1.18 0.00 0.00 179.01 177.40 1j1j h HIS 90 N 0.00 0.00 -0.02 0.92 3.86 -1.35 -3.25 115.15 115.31 1j1j h HIS 90 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1j1j h HIS 90 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1j1j h HIS 90 CO 0.00 0.35 0.00 -2.67 0.86 0.00 0.00 177.93 176.47 1j1j n TRP 91 N -4.03 0.03 -0.10 2.45 2.14 -0.60 -4.75 117.44 112.58 1j1j n TRP 91 Ca -0.02 -0.35 -0.06 0.00 2.07 0.00 0.00 57.50 59.14 1j1j n TRP 91 Cb 0.40 -0.03 0.01 0.00 -0.81 0.00 0.00 31.31 30.87 1j1j n TRP 91 CO 0.00 0.00 0.00 -0.09 2.07 0.00 0.00 177.69 179.67 1j1j h ARG 92 N 0.19 0.07 0.21 -2.67 2.43 -1.22 -0.30 114.38 113.10 1j1j h ARG 92 Ca 0.00 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1j1j h ARG 92 Cb 0.38 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1j1j h ARG 92 CO 0.00 0.05 -0.25 0.35 -1.51 0.00 0.00 179.97 178.61 1j1j h PHE 93 N 0.07 -0.66 0.00 2.20 3.57 -1.85 -1.84 116.94 118.44 1j1j h PHE 93 Ca 0.17 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1j1j h PHE 93 Cb 0.24 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1j1j h PHE 93 CO -0.26 -0.36 -0.39 -0.24 -2.23 0.00 0.00 178.31 174.83 1j1j h VAL 94 N -0.51 1.16 -0.58 1.41 3.04 -1.86 -2.21 116.25 116.71 1j1j h VAL 94 Ca 0.00 -1.39 -0.09 0.00 -1.01 0.00 0.00 66.70 64.21 1j1j h VAL 94 Cb 0.48 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 1j1j h VAL 94 CO -0.08 0.38 0.00 0.25 -1.01 0.00 0.00 177.57 177.12 1j1j h LEU 95 N 0.00 1.01 -0.58 3.16 6.46 -0.79 0.50 115.31 125.06 1j1j h LEU 95 Ca -0.00 -0.31 -0.13 0.00 -0.12 0.00 0.00 57.88 57.32 1j1j h LEU 95 Cb 0.74 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1j1j h LEU 95 CO 0.05 1.07 -0.27 1.56 -0.62 0.00 0.00 178.44 180.23 1j1j h GLN 96 N 0.92 0.85 -0.60 1.25 4.20 -1.06 -1.55 115.11 119.12 1j1j h GLN 96 Ca 0.17 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 1j1j h GLN 96 Cb 0.55 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1j1j h GLN 96 CO 0.03 1.01 0.02 0.00 -0.67 0.00 0.00 178.83 179.22 1j1j h ARG 97 N 0.72 1.05 -0.39 1.46 2.47 -1.14 -1.83 114.38 116.73 1j1j h ARG 97 Ca 0.09 -0.33 -0.06 0.00 -1.26 0.00 0.00 59.98 58.42 1j1j h ARG 97 Cb 0.82 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.02 1j1j h ARG 97 CO 0.07 1.02 0.00 -0.07 0.56 0.00 0.00 179.97 181.56 1j1j h LEU 98 N 0.95 0.58 -0.13 3.04 3.38 -0.64 0.10 115.31 122.60 1j1j h LEU 98 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j1j h LEU 98 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1j1j h LEU 98 CO 0.03 0.65 0.06 0.58 0.09 0.00 0.00 178.44 179.85 1j1j h VAL 99 N 0.59 1.13 -0.19 1.22 2.07 -0.98 -1.05 116.25 119.03 1j1j h VAL 99 Ca 0.12 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1j1j h VAL 99 Cb 0.37 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1j1j h VAL 99 CO 0.01 0.12 -0.07 0.15 0.02 0.00 0.00 177.57 177.80 1j1j h PHE 100 N 0.08 -0.15 -0.60 1.57 3.57 -0.65 0.96 116.94 121.71 1j1j h PHE 100 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1j1j h PHE 100 Cb 0.13 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1j1j h PHE 100 CO -0.03 -0.11 0.38 -0.07 -2.23 0.00 0.00 178.31 176.26 1j1j h LEU 101 N -0.03 0.71 -0.43 0.59 3.38 -0.70 0.50 115.31 119.33 1j1j h LEU 101 Ca 0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1j1j h LEU 101 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1j1j h LEU 101 CO -0.21 0.54 0.09 0.00 0.09 0.00 0.00 178.44 178.95 1j1j h ALA 102 N 1.20 0.57 -0.24 1.53 0.00 -0.87 -0.85 119.26 120.60 1j1j h ALA 102 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1j1j h ALA 102 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j1j h ALA 102 CO -0.04 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 179.31 1j1j h ALA 103 N 0.95 1.29 -0.39 0.00 0.00 -0.36 -1.57 119.26 119.19 1j1j h ALA 103 Ca 0.13 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1j1j h ALA 103 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1j1j h ALA 103 CO 0.00 0.47 -0.30 0.35 0.00 0.00 0.00 179.25 179.78 1j1j h PHE 104 N 0.38 1.00 0.05 0.00 3.57 0.44 -0.82 116.94 121.55 1j1j h PHE 104 Ca 0.07 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1j1j h PHE 104 Cb 0.50 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1j1j h PHE 104 CO 0.01 1.04 -0.03 0.28 -2.23 0.00 0.00 178.31 177.39 1j1j h VAL 105 N 0.72 1.05 -0.71 1.41 2.07 -0.84 -1.74 116.25 118.21 1j1j h VAL 105 Ca 0.08 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1j1j h VAL 105 Cb 0.85 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1j1j h VAL 105 CO 0.07 0.08 0.28 0.58 0.02 0.00 0.00 177.57 178.61 1j1j h VAL 106 N -0.21 1.24 -0.56 2.57 2.07 -1.20 -1.60 116.25 118.57 1j1j h VAL 106 Ca -0.01 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1j1j h VAL 106 Cb 0.19 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1j1j h VAL 106 CO 0.01 0.31 0.14 0.22 0.02 0.00 0.00 177.57 178.26 1j1j h TYR 107 N 1.03 0.94 -0.91 1.57 3.20 -1.07 0.35 116.97 122.07 1j1j h TYR 107 Ca 0.24 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1j1j h TYR 107 Cb 0.20 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1j1j h TYR 107 CO 0.02 0.81 0.54 -0.07 -1.64 0.00 0.00 178.16 177.82 1j1j h LEU 108 N 0.79 1.10 0.04 2.82 4.07 -0.95 1.33 115.31 124.52 1j1j h LEU 108 Ca 0.17 -0.07 -0.19 0.00 0.08 0.00 0.00 57.88 57.87 1j1j h LEU 108 Cb 0.34 -0.28 0.02 0.00 1.08 0.00 0.00 40.66 41.82 1j1j h LEU 108 CO 0.00 0.85 -0.78 -0.33 -1.08 0.00 0.00 178.44 177.10 1j1j h GLU 109 N 1.26 0.46 0.00 1.13 5.08 -0.98 -3.41 114.58 118.11 1j1j h GLU 109 Ca 0.33 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1j1j h GLU 109 Cb -0.04 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1j1j h GLU 109 CO -0.06 1.19 0.00 0.25 -1.00 0.00 0.00 179.01 179.39 1j1j n THR 110 N -4.10 0.00 -3.16 1.13 -2.24 0.12 -5.01 114.28 101.02 1j1j n THR 110 Ca -0.12 -0.38 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 1j1j n THR 110 Cb 0.77 1.17 0.04 0.00 -2.10 0.00 0.00 70.33 70.20 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 -0.25 -5.23 -4.43 -0.78 1.02 0.46 -4.98 120.64 106.45 1j1j n GLU 111 Ca 0.00 0.85 -0.21 0.00 -0.02 0.00 0.00 57.16 57.78 1j1j n GLU 111 Cb 0.04 -5.73 -0.10 0.00 -0.02 0.00 0.00 31.44 25.62 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 -3.18 1.31 -0.23 2.62 -1.32 -1.26 -5.00 115.64 108.58 1j1j s THR 112 Ca 0.36 -2.04 -0.16 0.00 -1.21 0.00 0.00 61.69 58.64 1j1j s THR 112 Cb -0.17 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 1j1j s THR 112 CO 0.45 -0.14 0.42 -0.22 -2.21 0.00 0.00 174.62 172.92 1j1j s LEU 113 N -3.45 4.11 0.40 9.08 2.96 -1.26 -3.73 118.68 126.80 1j1j s LEU 113 Ca 0.33 0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 54.45 1j1j s LEU 113 Cb 0.07 -2.53 -0.10 0.00 0.50 0.00 0.00 46.19 44.13 1j1j s LEU 113 CO 0.13 -0.14 1.44 -0.69 -1.32 0.00 0.00 176.35 175.77 1j1j s VAL 114 N 1.66 2.14 0.45 1.68 1.01 -1.26 -4.98 120.40 121.11 1j1j s VAL 114 Ca 0.19 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1j1j s VAL 114 Cb -0.15 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 1j1j s VAL 114 CO 0.09 0.03 1.04 -0.89 0.00 0.00 0.00 175.10 175.37 1j1j s THR 115 N -1.16 3.75 0.25 3.92 2.01 -1.26 -4.90 115.64 118.25 1j1j s THR 115 Ca 0.56 1.18 -0.06 0.00 0.31 0.00 0.00 61.69 63.68 1j1j s THR 115 Cb -0.44 -3.53 0.24 0.00 0.01 0.00 0.00 72.50 68.78 1j1j s THR 115 CO 0.59 -0.15 1.91 -0.09 -0.69 0.00 0.00 174.62 176.20 1j1j h ARG 116 N 1.91 1.28 -0.70 4.92 2.43 -1.99 0.25 114.38 122.48 1j1j h ARG 116 Ca -0.49 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.53 1j1j h ARG 116 Cb 1.22 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1j1j h ARG 116 CO 0.60 0.87 0.24 0.93 -1.51 0.00 0.00 179.97 181.10 1j1j h GLU 117 N 1.31 1.07 -0.44 0.20 3.07 -1.98 -0.72 114.58 117.09 1j1j h GLU 117 Ca 0.35 -0.22 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 1j1j h GLU 117 Cb -0.10 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.63 1j1j h GLU 117 CO -0.07 0.91 0.07 0.00 -1.40 0.00 0.00 179.01 178.53 1j1j h ALA 118 N 1.11 1.31 -0.43 3.43 0.00 -1.69 -0.04 119.26 122.96 1j1j h ALA 118 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1j1j h ALA 118 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j1j h ALA 118 CO -0.01 0.48 -0.12 0.28 0.00 0.00 0.00 179.25 179.88 1j1j h VAL 119 N 0.64 1.27 -0.97 0.00 2.07 -0.51 -0.97 116.25 117.79 1j1j h VAL 119 Ca 0.14 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1j1j h VAL 119 Cb 0.29 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1j1j h VAL 119 CO 0.00 0.42 0.61 0.74 0.02 0.00 0.00 177.57 179.36 1j1j h THR 120 N 0.66 1.00 -0.44 2.57 2.02 -0.29 -0.52 112.91 117.91 1j1j h THR 120 Ca 0.11 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1j1j h THR 120 Cb 0.66 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1j1j h THR 120 CO 0.05 0.19 -0.25 -0.33 0.37 0.00 0.00 175.52 175.54 1j1j h GLU 121 N 1.04 0.93 -0.06 6.66 5.08 -0.64 -1.76 114.58 125.83 1j1j h GLU 121 Ca 0.45 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1j1j h GLU 121 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1j1j h GLU 121 CO -0.22 1.07 -0.30 0.82 -1.00 0.00 0.00 179.01 179.38 1j1j h ILE 122 N 0.79 1.24 -0.06 3.13 2.04 -0.22 -2.62 117.51 121.81 1j1j h ILE 122 Ca 0.10 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1j1j h ILE 122 Cb 0.82 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1j1j h ILE 122 CO 0.07 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.73 1j1j n LEU 123 N -4.15 1.46 -0.53 1.44 4.77 -0.30 -4.77 117.00 114.91 1j1j n LEU 123 Ca -0.02 -0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 55.37 1j1j n LEU 123 Cb 0.37 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1j1j n LEU 123 CO 0.39 0.26 -0.07 0.61 -1.33 0.00 0.00 177.39 177.26 1j1j n GLY 124 N 1.15 0.76 3.93 -0.72 0.00 -0.99 -4.36 105.19 104.96 1j1j n GLY 124 Ca 0.18 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1j1j n GLY 124 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j1j n ILE 125 N -2.34 0.00 -3.62 -0.61 3.06 -0.70 -4.94 119.36 110.22 1j1j n ILE 125 Ca -0.07 -1.48 -0.26 0.00 -2.50 0.00 0.00 62.75 58.44 1j1j n ILE 125 Cb 0.46 -1.01 -0.03 0.00 0.54 0.00 0.00 39.64 39.61 1j1j n ILE 125 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1j1j s GLU 126 N -5.30 3.52 0.00 9.51 8.01 -0.58 -4.57 118.70 129.29 1j1j s GLU 126 Ca 0.69 -0.34 0.00 0.00 0.01 0.00 0.00 54.97 55.33 1j1j s GLU 126 Cb -0.03 -2.79 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 1j1j s GLU 126 CO 0.46 0.33 0.00 -2.30 0.01 0.00 0.00 175.26 173.76 1j1j n PRO 127 N -0.98 0.83 -2.53 0.39 -0.02 -1.26 -4.21 135.00 127.21 1j1j n PRO 127 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.18 1j1j n PRO 127 Cb 0.55 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.06 1j1j n PRO 127 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1j1j s ASP 128 N -2.10 5.56 0.00 2.55 2.15 -1.26 -4.39 116.67 119.19 1j1j s ASP 128 Ca 0.00 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.52 1j1j s ASP 128 Cb 0.00 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 1j1j s ASP 128 CO 0.00 -1.03 0.00 0.54 -0.17 0.00 0.00 175.17 174.51 1j1j n ARG 129 N -2.48 0.00 -4.55 4.34 5.12 -1.26 -4.78 116.66 113.05 1j1j n ARG 129 Ca 0.04 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.70 1j1j n ARG 129 Cb 0.58 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.80 1j1j n ARG 129 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1j1j s GLU 130 N 0.00 1.94 0.00 5.56 0.41 -1.26 -4.90 118.70 120.45 1j1j s GLU 130 Ca 0.00 -2.18 0.00 0.00 -0.41 0.00 0.00 54.97 52.38 1j1j s GLU 130 Cb 0.00 -0.82 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 1j1j s GLU 130 CO 0.00 -0.42 0.00 1.63 -0.49 0.00 0.00 175.26 175.98 1j1j n LYS 131 N -0.95 0.00 0.00 1.61 5.02 -1.26 -4.74 118.16 117.84 1j1j n LYS 131 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1j1j n LYS 131 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 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 -0.82 0.50 3.66 0.72 0.00 -1.26 -4.95 105.19 103.03 1j1j n GLY 132 Ca 0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.67 2.78 0.36 1.61 5.36 -1.26 -4.96 117.98 119.19 1j1j s PHE 133 Ca 0.00 0.93 0.08 0.00 -0.96 0.00 0.00 56.93 56.98 1j1j s PHE 133 Cb 0.00 -3.54 -0.05 0.00 -0.34 0.00 0.00 43.02 39.09 1j1j s PHE 133 CO 0.00 -1.91 0.15 -1.01 -1.46 0.00 0.00 175.22 170.99 1j1j s HIS 134 N 3.45 2.66 -0.39 10.12 3.76 -1.26 -1.53 115.29 132.11 1j1j s HIS 134 Ca 0.57 -0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 55.01 1j1j s HIS 134 Cb -0.23 -1.72 0.10 0.00 1.11 0.00 0.00 32.58 31.83 1j1j s HIS 134 CO 0.17 0.30 0.16 -1.17 -0.85 0.00 0.00 174.74 173.34 1j1j s LEU 135 N -3.86 5.01 0.70 0.89 2.96 -1.26 -4.99 118.68 118.13 1j1j s LEU 135 Ca 0.39 -1.93 -0.17 0.00 -0.22 0.00 0.00 54.13 52.20 1j1j s LEU 135 Cb -0.01 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1j1j s LEU 135 CO 0.22 -0.49 0.50 -0.67 -1.32 0.00 0.00 176.35 174.60 1j1j n ASP 136 N 4.56 -1.26 0.05 3.68 -0.08 -1.26 -4.85 116.55 117.38 1j1j n ASP 136 Ca -0.03 0.61 -0.06 0.00 -1.51 0.00 0.00 54.79 53.80 1j1j n ASP 136 Cb 0.42 -1.20 0.11 0.00 2.34 0.00 0.00 41.12 42.79 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 -0.27 1.34 -0.20 5.18 2.07 -1.99 -2.39 116.25 119.99 1j1j h VAL 137 Ca -0.45 -1.79 -0.17 0.00 0.82 0.00 0.00 66.70 65.11 1j1j h VAL 137 Cb 1.36 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1j1j h VAL 137 CO 0.43 0.54 -0.57 1.05 0.02 0.00 0.00 177.57 179.04 1j1j h GLU 138 N 0.31 0.63 -0.18 1.57 9.09 -1.99 -1.34 114.58 122.66 1j1j h GLU 138 Ca 0.01 -0.41 -0.10 0.00 0.05 0.00 0.00 59.36 58.91 1j1j h GLU 138 Cb 1.03 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 1j1j h GLU 138 CO 0.09 1.02 -0.34 -0.44 0.05 0.00 0.00 179.01 179.39 1j1j h ASP 139 N 0.48 0.38 -0.03 3.06 3.32 -1.91 -1.23 116.42 120.49 1j1j h ASP 139 Ca 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1j1j h ASP 139 Cb 1.14 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1j1j h ASP 139 CO 0.11 0.70 -0.00 0.22 -1.72 0.00 0.00 179.24 178.55 1j1j h TYR 140 N 0.32 0.05 -0.10 4.55 5.03 -1.24 -2.29 116.97 123.30 1j1j h TYR 140 Ca 0.04 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 1j1j h TYR 140 Cb 0.75 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 1j1j h TYR 140 CO 0.02 0.35 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.90 1j1j h LEU 141 N -0.26 0.17 -0.61 2.82 3.38 -1.08 -1.38 115.31 118.35 1j1j h LEU 141 Ca 0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1j1j h LEU 141 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1j1j h LEU 141 CO 0.00 0.42 -0.05 0.28 0.09 0.00 0.00 178.44 179.19 1j1j h SER 142 N 0.16 1.03 -0.71 -0.43 0.02 -1.19 -1.14 113.55 111.30 1j1j h SER 142 Ca 0.03 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1j1j h SER 142 Cb 0.52 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1j1j h SER 142 CO 0.04 1.11 0.17 1.23 -1.14 0.00 0.00 176.83 178.23 1j1j h GLY 143 N 0.97 1.22 1.12 -3.77 0.00 -0.83 -1.59 103.07 100.20 1j1j h GLY 143 Ca 0.16 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1j1j h GLY 143 CO 0.04 0.72 0.20 -2.08 0.00 0.00 0.00 176.54 175.41 1j1j h VAL 144 N 1.07 1.26 -0.49 4.60 2.07 -0.94 -1.72 116.25 122.09 1j1j h VAL 144 Ca 0.22 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1j1j h VAL 144 Cb 0.38 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1j1j h VAL 144 CO 0.00 0.35 -0.00 -0.07 0.02 0.00 0.00 177.57 177.87 1j1j h LEU 145 N 1.04 0.80 -0.93 2.57 3.38 -0.87 -1.45 115.31 119.85 1j1j h LEU 145 Ca 0.22 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1j1j h LEU 145 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1j1j h LEU 145 CO -0.00 0.87 -0.03 0.40 0.09 0.00 0.00 178.44 179.76 1j1j h ILE 146 N 0.77 1.24 -0.56 1.22 2.04 -0.89 -2.59 117.51 118.74 1j1j h ILE 146 Ca 0.15 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1j1j h ILE 146 Cb 0.47 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1j1j h ILE 146 CO 0.02 0.36 0.21 0.25 0.00 0.00 0.00 178.15 178.98 1j1j h LEU 147 N 0.69 0.79 -0.68 1.44 7.12 -0.82 -2.16 115.31 121.69 1j1j h LEU 147 Ca 0.13 -0.18 0.07 0.00 0.13 0.00 0.00 57.88 58.03 1j1j h LEU 147 Cb 0.47 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 40.33 1j1j h LEU 147 CO 0.02 0.76 0.36 0.00 -0.13 0.00 0.00 178.44 179.46 1j1j h ALA 148 N 1.06 0.93 -0.47 1.25 0.00 -0.89 0.66 119.26 121.79 1j1j h ALA 148 Ca 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1j1j h ALA 148 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1j1j h ALA 148 CO -0.01 0.01 0.18 0.77 0.00 0.00 0.00 179.25 180.19 1j1j h SER 149 N 0.65 0.67 -0.66 0.00 0.02 -1.25 -1.47 113.55 111.50 1j1j h SER 149 Ca 0.32 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1j1j h SER 149 Cb 0.26 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1j1j h SER 149 CO -0.22 0.67 0.34 -0.08 -1.14 0.00 0.00 176.83 176.40 1j1j h GLU 150 N 0.63 0.95 -0.19 3.45 4.57 -0.70 -2.28 114.58 121.01 1j1j h GLU 150 Ca 0.16 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 1j1j h GLU 150 Cb 0.22 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1j1j h GLU 150 CO -0.01 0.73 -0.38 -0.07 -1.18 0.00 0.00 179.01 178.10 1j1j h LEU 151 N 0.96 0.44 -0.83 1.64 4.07 -0.54 -0.01 115.31 121.03 1j1j h LEU 151 Ca 0.24 -0.18 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 1j1j h LEU 151 Cb 0.07 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1j1j h LEU 151 CO -0.03 0.78 -0.31 0.77 -1.08 0.00 0.00 178.44 178.57 1j1j h SER 152 N 0.35 0.52 -0.44 -0.43 4.64 -0.79 -0.74 113.55 116.67 1j1j h SER 152 Ca 0.04 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1j1j h SER 152 Cb 0.83 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1j1j h SER 152 CO 0.07 0.81 -0.11 -0.09 -0.87 0.00 0.00 176.83 176.63 1j1j h ARG 153 N 0.44 0.85 -0.59 4.77 2.43 -1.07 -2.97 114.38 118.23 1j1j h ARG 153 Ca 0.06 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1j1j h ARG 153 Cb 0.76 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1j1j h ARG 153 CO 0.06 0.96 0.31 1.25 -1.51 0.00 0.00 179.97 181.04 1j1j h LEU 154 N 0.68 0.73 -0.46 3.80 6.46 -0.47 -2.45 115.31 123.61 1j1j h LEU 154 Ca 0.11 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1j1j h LEU 154 Cb 0.65 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1j1j h LEU 154 CO 0.04 0.61 0.30 -1.28 -0.62 0.00 0.00 178.44 177.49 1j1j h SER 155 N 0.82 0.52 0.18 1.25 0.87 -0.99 0.21 113.55 116.41 1j1j h SER 155 Ca 0.21 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1j1j h SER 155 Cb 0.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1j1j h SER 155 CO -0.03 0.37 -0.09 0.58 -0.53 0.00 0.00 176.83 177.14 1j1j h VAL 156 N 0.61 0.83 0.00 2.23 2.07 -1.41 -2.76 116.25 117.83 1j1j h VAL 156 Ca 0.17 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1j1j h VAL 156 Cb -0.07 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1j1j h VAL 156 CO -0.04 0.01 -0.14 0.78 0.02 0.00 0.00 177.57 178.19 1j1j h ASN 157 N -0.25 0.00 -0.25 0.57 2.35 -1.13 -2.52 115.58 114.35 1j1j h ASN 157 Ca -0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1j1j h ASN 157 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1j1j h ASN 157 CO 0.04 0.14 -0.12 -1.28 -1.65 0.00 0.00 177.43 174.56 1j1j h SER 158 N 0.00 0.64 -0.16 5.81 0.87 -0.30 -1.18 113.55 119.23 1j1j h SER 158 Ca -0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 1j1j h SER 158 Cb 0.42 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1j1j h SER 158 CO 0.02 0.78 -0.03 0.58 -0.53 0.00 0.00 176.83 177.65 1j1j h VAL 159 N 0.59 1.28 -0.42 2.23 2.07 -1.29 0.13 116.25 120.85 1j1j h VAL 159 Ca 0.10 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1j1j h VAL 159 Cb 0.55 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1j1j h VAL 159 CO 0.03 0.28 0.29 0.74 0.02 0.00 0.00 177.57 178.93 1j1j h THR 160 N 0.01 0.92 -0.02 2.57 2.02 -1.38 0.11 112.91 117.14 1j1j h THR 160 Ca 0.04 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j1j h THR 160 Cb 0.44 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1j1j h THR 160 CO 0.01 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.95 1j1j n ALA 161 N -2.54 2.62 -0.58 6.16 0.00 -0.47 -4.90 120.51 120.80 1j1j n ALA 161 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1j1j n ALA 161 Cb 0.30 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.99 0.77 3.44 0.00 0.00 0.39 -4.16 105.19 106.63 1j1j n GLY 162 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.76 6.16 0.00 1.61 3.68 0.44 -4.91 116.67 120.90 1j1j s ASP 163 Ca 0.00 -1.02 0.24 0.00 2.13 0.00 0.00 52.55 53.91 1j1j s ASP 163 Cb 0.00 -2.21 0.24 0.00 -1.45 0.00 0.00 42.92 39.50 1j1j s ASP 163 CO 0.00 -0.63 1.28 -1.22 0.13 0.00 0.00 175.17 174.73 1j1j n TYR 164 N 5.45 0.00 0.01 -5.34 4.01 -1.26 -3.41 117.16 116.61 1j1j n TYR 164 Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.43 1j1j n TYR 164 Cb 0.45 -0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.34 1j1j n TYR 164 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1j1j n SER 165 N 1.17 2.11 -0.35 7.72 2.88 -1.26 -4.35 113.62 121.54 1j1j n SER 165 Ca 0.14 0.22 0.07 0.00 -1.33 0.00 0.00 58.87 57.97 1j1j n SER 165 Cb 0.57 -0.86 0.24 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.07 0.97 -0.77 -1.46 2.43 -1.97 -1.93 114.38 111.71 1j1j h ARG 166 Ca -0.42 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1j1j h ARG 166 Cb 2.04 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 31.32 1j1j h ARG 166 CO 0.09 0.64 0.51 -1.35 -1.51 0.00 0.00 179.97 178.35 1j1j h PRO 167 N 0.99 0.84 -0.50 0.20 0.11 -1.81 -0.03 132.00 131.80 1j1j h PRO 167 Ca 0.48 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.46 1j1j h PRO 167 Cb 0.46 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1j1j h PRO 167 CO -0.25 0.56 0.00 -0.07 -0.21 0.00 0.00 178.00 178.03 1j1j h LEU 168 N 0.86 0.87 -0.32 2.35 -0.00 -1.57 -1.35 115.31 116.15 1j1j h LEU 168 Ca 0.33 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.88 57.81 1j1j h LEU 168 Cb 0.19 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1j1j h LEU 168 CO -0.11 0.96 -0.15 0.45 -0.00 0.00 0.00 178.44 179.59 1j1j h HIS 169 N 0.75 0.77 -0.73 1.13 3.86 -1.27 -2.73 115.15 116.94 1j1j h HIS 169 Ca 0.14 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1j1j h HIS 169 Cb 0.51 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1j1j h HIS 169 CO 0.04 0.89 0.42 0.82 0.86 0.00 0.00 177.93 180.96 1j1j h ILE 170 N 0.44 1.21 -0.60 2.45 2.04 -0.94 -0.99 117.51 121.12 1j1j h ILE 170 Ca 0.07 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1j1j h ILE 170 Cb 0.68 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1j1j h ILE 170 CO 0.05 0.23 0.39 -1.28 0.00 0.00 0.00 178.15 177.53 1j1j h SER 171 N 0.99 0.69 -0.25 1.72 0.87 -1.19 0.13 113.55 116.51 1j1j h SER 171 Ca 0.26 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1j1j h SER 171 Cb -0.01 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1j1j h SER 171 CO -0.05 0.51 0.14 0.74 -0.53 0.00 0.00 176.83 177.64 1j1j h THR 172 N 0.81 1.11 0.62 2.23 2.02 -1.16 -1.32 112.91 117.21 1j1j h THR 172 Ca 0.22 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1j1j h THR 172 Cb -0.08 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1j1j h THR 172 CO -0.05 0.11 -0.42 0.15 0.37 0.00 0.00 175.52 175.69 1j1j h PHE 173 N 0.29 -1.12 -0.46 3.16 3.57 -0.65 -1.44 116.94 120.29 1j1j h PHE 173 Ca 0.09 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1j1j h PHE 173 Cb 0.06 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1j1j h PHE 173 CO -0.04 -0.62 0.31 0.82 -2.23 0.00 0.00 178.31 176.55 1j1j h ILE 174 N -0.99 0.98 -0.15 1.41 2.04 -0.75 0.18 117.51 120.23 1j1j h ILE 174 Ca -0.08 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1j1j h ILE 174 Cb 0.82 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1j1j h ILE 174 CO 0.05 0.07 -0.32 0.78 0.00 0.00 0.00 178.15 178.73 1j1j h ASN 175 N 0.41 0.30 0.11 1.72 2.35 -0.76 -0.35 115.58 119.35 1j1j h ASN 175 Ca 0.20 -0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 1j1j h ASN 175 Cb 0.27 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1j1j h ASN 175 CO -0.05 0.61 -0.55 -0.33 -1.65 0.00 0.00 177.43 175.47 1j1j h GLU 176 N 0.26 0.46 -0.55 0.81 5.08 0.06 -1.18 114.58 119.52 1j1j h GLU 176 Ca 0.03 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1j1j h GLU 176 Cb 0.70 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1j1j h GLU 176 CO 0.05 0.89 0.06 -0.07 -1.00 0.00 0.00 179.01 178.94 1j1j h LEU 177 N 0.36 0.86 -0.32 1.33 3.38 -0.77 0.16 115.31 120.31 1j1j h LEU 177 Ca 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1j1j h LEU 177 Cb 1.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1j1j h LEU 177 CO 0.10 0.89 0.09 -0.78 0.09 0.00 0.00 178.44 178.83 1j1j h ASP 178 N 0.84 0.47 -0.72 -0.43 -0.00 -0.78 -0.19 116.42 115.62 1j1j h ASP 178 Ca 0.17 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.03 56.95 1j1j h ASP 178 Cb 0.42 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 39.60 1j1j h ASP 178 CO 0.01 0.56 0.31 0.28 -0.00 0.00 0.00 179.24 180.41 1j1j h SER 179 N 0.36 0.98 0.03 2.28 0.02 -0.87 -1.99 113.55 114.37 1j1j h SER 179 Ca 0.10 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1j1j h SER 179 Cb 0.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1j1j h SER 179 CO -0.00 0.87 -0.02 1.23 -1.14 0.00 0.00 176.83 177.77 1j1j h GLY 180 N 1.03 -0.05 2.00 -3.77 0.00 -0.37 -2.27 103.07 99.64 1j1j h GLY 180 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1j1j h GLY 180 CO -0.02 -0.02 -0.07 0.74 0.00 0.00 0.00 176.54 177.17 1j1j h PHE 181 N -0.05 0.00 -0.47 5.60 -1.00 -0.85 -2.36 116.94 117.81 1j1j h PHE 181 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1j1j h PHE 181 Cb 0.04 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1j1j h PHE 181 CO -0.08 0.07 0.23 -0.09 -1.61 0.00 0.00 178.31 176.83 1j1j h ARG 182 N 0.00 0.67 -0.29 1.51 9.65 -0.76 -2.46 114.38 122.69 1j1j h ARG 182 Ca -0.00 -0.09 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1j1j h ARG 182 Cb 0.14 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1j1j h ARG 182 CO 0.01 0.56 0.23 -0.07 2.80 0.00 0.00 179.97 183.50 1j1j h LEU 183 N 0.61 0.00 -9.96 3.80 3.38 -1.24 -3.42 115.31 108.49 1j1j h LEU 183 Ca 0.16 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.67 1j1j h LEU 183 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1j1j h LEU 183 CO -0.02 0.00 0.37 -0.76 0.09 0.00 0.00 178.44 178.12 1j1j s LEU 184 N -8.53 4.16 -0.92 1.67 1.43 -0.93 -4.96 118.68 110.60 1j1j s LEU 184 Ca -0.05 1.87 -0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1j1j s LEU 184 Cb 0.18 -4.22 0.31 0.00 0.03 0.00 0.00 46.19 42.49 1j1j s LEU 184 CO 0.67 -0.30 1.41 -3.20 0.23 0.00 0.00 176.35 175.15 1j1j n ASN 185 N 0.01 6.06 -4.69 2.29 4.05 -1.26 -5.01 115.26 116.71 1j1j n ASN 185 Ca 0.04 -3.56 -0.59 0.00 0.45 0.00 0.00 54.58 50.93 1j1j n ASN 185 Cb 0.51 -1.03 -0.08 0.00 1.23 0.00 0.00 39.78 40.41 1j1j n ASN 185 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j1j n LEU 186 N 0.52 1.90 -0.08 1.20 4.77 -1.26 -4.87 117.00 119.18 1j1j n LEU 186 Ca 0.35 1.11 -0.11 0.00 -0.03 0.00 0.00 56.01 57.33 1j1j n LEU 186 Cb 0.33 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.25 1j1j n LEU 186 CO 0.55 -0.70 -1.03 2.29 -1.33 0.00 0.00 177.39 177.17 1j1j n LYS 187 N 4.43 0.72 -1.75 3.23 0.00 -1.26 -4.96 118.16 118.56 1j1j n LYS 187 Ca 0.26 0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 58.22 1j1j n LYS 187 Cb 0.10 -1.34 -0.03 0.00 -0.00 0.00 0.00 35.03 33.76 1j1j n LYS 187 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1j1j s ASN 188 N -5.45 6.47 0.30 -5.58 2.47 -1.26 -4.89 114.94 107.00 1j1j s ASN 188 Ca -0.20 2.68 0.04 0.00 0.42 0.00 0.00 52.86 55.81 1j1j s ASN 188 Cb 0.06 -2.56 0.49 0.00 -1.45 0.00 0.00 41.25 37.78 1j1j s ASN 188 CO 0.43 -0.99 1.76 0.44 -3.72 0.00 0.00 177.10 175.01 1j1j h ASP 189 N 8.95 0.40 -0.10 -4.21 3.45 -1.98 0.38 116.42 123.32 1j1j h ASP 189 Ca -0.46 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 56.85 1j1j h ASP 189 Cb 1.22 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.88 1j1j h ASP 189 CO 0.94 0.65 -0.02 0.28 -1.57 0.00 0.00 179.24 179.52 1j1j h SER 190 N 0.36 0.19 -0.61 6.45 0.02 -1.99 -0.88 113.55 117.09 1j1j h SER 190 Ca 0.06 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1j1j h SER 190 Cb 0.63 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1j1j h SER 190 CO 0.05 0.51 -0.01 0.25 -1.14 0.00 0.00 176.83 176.49 1j1j h LEU 191 N -0.14 1.06 -0.56 5.07 5.85 -1.94 -1.61 115.31 123.03 1j1j h LEU 191 Ca 0.02 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1j1j h LEU 191 Cb 0.43 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1j1j h LEU 191 CO 0.01 1.11 0.36 0.03 -0.34 0.00 0.00 178.44 179.60 1j1j h ARG 192 N 0.98 0.70 -0.34 1.25 3.08 -0.83 0.10 114.38 119.32 1j1j h ARG 192 Ca 0.17 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1j1j h ARG 192 Cb 0.57 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1j1j h ARG 192 CO 0.03 0.46 0.09 -0.22 -1.07 0.00 0.00 179.97 179.27 1j1j h LYS 193 N 0.72 0.53 -0.31 0.04 3.64 -0.89 -2.65 116.57 117.65 1j1j h LYS 193 Ca 0.21 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1j1j h LYS 193 Cb -0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1j1j h LYS 193 CO -0.07 0.57 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.58 1j1j h ARG 194 N 0.39 0.47 -0.01 1.90 2.43 -0.94 -2.03 114.38 116.58 1j1j h ARG 194 Ca 0.11 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1j1j h ARG 194 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1j1j h ARG 194 CO -0.00 0.51 -0.20 -0.92 -1.51 0.00 0.00 179.97 177.84 1j1j h TYR 195 N 0.45 0.02 0.00 2.20 3.20 -0.50 -1.74 116.97 120.61 1j1j h TYR 195 Ca 0.10 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1j1j h TYR 195 Cb 0.32 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1j1j h TYR 195 CO 0.01 0.23 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.25 1j1j h ASP 196 N 0.02 0.00 1.19 -2.11 3.32 -1.03 -1.31 116.42 116.50 1j1j h ASP 196 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1j1j h ASP 196 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1j1j h ASP 196 CO 0.03 0.07 -0.10 1.23 -1.72 0.00 0.00 179.24 178.75 1j1j h GLY 197 N 0.31 0.00 0.99 2.75 0.00 -1.39 -3.18 103.07 102.55 1j1j h GLY 197 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1j1j h GLY 197 CO 0.01 0.00 0.61 -2.00 0.00 0.00 0.00 176.54 175.16 1j1j h LEU 198 N 0.00 1.05 -0.80 3.11 5.85 -1.30 -2.41 115.31 120.81 1j1j h LEU 198 Ca -0.00 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.83 1j1j h LEU 198 Cb 0.72 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 1j1j h LEU 198 CO 0.01 0.75 0.39 0.11 -0.34 0.00 0.00 178.44 179.37 1j1j h LYS 199 N 1.24 0.57 -0.54 1.25 1.57 -1.67 0.16 116.57 119.14 1j1j h LYS 199 Ca 0.34 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1j1j h LYS 199 Cb -0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1j1j h LYS 199 CO -0.08 0.37 0.18 -0.92 -0.57 0.00 0.00 179.45 178.43 1j1j h TYR 200 N 0.58 0.80 -0.21 -1.35 3.20 -1.61 -2.44 116.97 115.95 1j1j h TYR 200 Ca 0.43 -0.05 -0.17 0.00 3.14 0.00 0.00 58.73 62.08 1j1j h TYR 200 Cb 0.58 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1j1j h TYR 200 CO -0.11 0.64 -0.56 -0.44 -1.64 0.00 0.00 178.16 176.05 1j1j h ASP 201 N 0.77 0.70 -0.24 -2.11 3.32 -0.88 -1.67 116.42 116.32 1j1j h ASP 201 Ca 0.18 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1j1j h ASP 201 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1j1j h ASP 201 CO -0.01 1.12 0.15 0.58 -1.72 0.00 0.00 179.24 179.36 1j1j h VAL 202 N 0.48 1.08 -0.29 -1.35 2.07 -0.87 -1.58 116.25 115.79 1j1j h VAL 202 Ca 0.01 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1j1j h VAL 202 Cb 1.12 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1j1j h VAL 202 CO 0.11 0.07 -0.31 0.11 0.02 0.00 0.00 177.57 177.58 1j1j h LYS 203 N 0.32 0.61 -0.56 1.57 1.57 -1.42 -1.34 116.57 117.31 1j1j h LYS 203 Ca 0.09 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1j1j h LYS 203 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1j1j h LYS 203 CO -0.02 0.84 0.12 -0.22 -0.57 0.00 0.00 179.45 179.60 1j1j h LYS 204 N 0.52 0.91 -0.01 3.15 3.64 -1.07 -0.82 116.57 122.89 1j1j h LYS 204 Ca 0.06 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 59.01 1j1j h LYS 204 Cb 0.79 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1j1j h LYS 204 CO 0.06 0.86 -0.87 0.28 -2.27 0.00 0.00 179.45 177.52 1j1j h VAL 205 N 0.81 1.46 -0.19 2.00 2.07 -1.20 -2.80 116.25 118.40 1j1j h VAL 205 Ca 0.17 -2.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 1j1j h VAL 205 Cb 0.37 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1j1j h VAL 205 CO 0.01 0.74 -0.14 -0.33 0.02 0.00 0.00 177.57 177.87 1j1j h GLU 206 N 0.15 0.31 -0.09 1.57 5.08 -1.04 -2.09 114.58 118.48 1j1j h GLU 206 Ca -0.05 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 1j1j h GLU 206 Cb 1.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1j1j h GLU 206 CO 0.14 0.45 -0.56 0.93 -1.00 0.00 0.00 179.01 178.97 1j1j h GLU 207 N 0.29 0.26 -0.25 2.33 5.08 -1.00 -0.71 114.58 120.58 1j1j h GLU 207 Ca 0.06 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1j1j h GLU 207 Cb 0.42 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1j1j h GLU 207 CO 0.03 0.75 0.07 0.28 -1.00 0.00 0.00 179.01 179.13 1j1j h VAL 208 N 0.20 1.20 -0.75 3.13 2.07 -1.17 0.97 116.25 121.89 1j1j h VAL 208 Ca 0.00 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1j1j h VAL 208 Cb 1.04 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1j1j h VAL 208 CO 0.09 0.21 0.48 0.58 0.02 0.00 0.00 177.57 178.95 1j1j h VAL 209 N 0.23 1.13 -0.17 2.57 2.07 -1.21 -1.51 116.25 119.36 1j1j h VAL 209 Ca 0.08 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1j1j h VAL 209 Cb 0.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1j1j h VAL 209 CO -0.00 0.17 0.01 0.22 0.02 0.00 0.00 177.57 177.99 1j1j h TYR 210 N 0.95 0.01 -0.43 1.57 3.20 -0.70 0.09 116.97 121.65 1j1j h TYR 210 Ca 0.30 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1j1j h TYR 210 Cb -0.01 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1j1j h TYR 210 CO -0.03 -0.01 0.13 -0.44 -1.64 0.00 0.00 178.16 176.17 1j1j h ASP 211 N 0.07 0.10 -0.26 -2.11 3.32 -0.19 0.63 116.42 117.99 1j1j h ASP 211 Ca 0.08 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1j1j h ASP 211 Cb 0.09 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1j1j h ASP 211 CO -0.12 0.09 0.15 -0.07 -1.72 0.00 0.00 179.24 177.57 1j1j h LEU 212 N 0.28 0.31 -0.28 1.55 -0.00 -0.98 -2.54 115.31 113.65 1j1j h LEU 212 Ca 0.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1j1j h LEU 212 Cb 0.22 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1j1j h LEU 212 CO -0.23 0.28 0.12 -1.28 -0.00 0.00 0.00 178.44 177.32 1j1j h SER 213 N 0.32 0.38 0.75 -0.43 0.87 -0.27 -2.47 113.55 112.69 1j1j h SER 213 Ca 0.09 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1j1j h SER 213 Cb 0.03 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1j1j h SER 213 CO -0.02 0.43 -0.24 -0.29 -0.53 0.00 0.00 176.83 176.18 1j1j h ILE 214 N 0.30 0.67 -0.03 2.23 2.10 -0.93 -2.52 117.51 119.33 1j1j h ILE 214 Ca 0.09 -1.09 0.00 0.00 1.08 0.00 0.00 64.86 64.94 1j1j h ILE 214 Cb 0.16 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1j1j h ILE 214 CO -0.01 0.24 0.00 -1.14 -1.08 0.00 0.00 178.15 176.16 1j1j n ARG 215 N -3.51 1.40 0.00 2.19 0.63 -0.96 -4.99 116.66 111.42 1j1j n ARG 215 Ca -0.01 -0.59 0.00 0.00 -0.92 0.00 0.00 57.85 56.33 1j1j n ARG 215 Cb 0.40 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1j1j n ARG 215 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1j n GLY 216 N 1.07 1.37 0.00 5.14 0.00 -0.95 -5.05 105.19 106.78 1j1j n GLY 216 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1j1j n GLY 216 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29