#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1j n HIS 2 N 0.00 -3.60 -4.40 1.12 -0.00 -1.26 -5.09 115.22 101.98 1o1j n HIS 2 Ca 0.00 2.00 -0.25 0.00 -0.00 0.00 0.00 57.72 59.47 1o1j n HIS 2 Cb 0.00 -3.51 -0.11 0.00 -0.00 0.00 0.00 29.99 26.37 1o1j n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1o1j s LEU 3 N -0.72 2.47 0.76 0.27 1.43 -1.26 -5.11 118.68 116.52 1o1j s LEU 3 Ca -0.19 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1o1j s LEU 3 Cb 0.01 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.23 1o1j s LEU 3 CO 0.65 0.05 1.08 0.42 0.23 0.00 0.00 176.35 178.79 1o1j s THR 4 N -1.97 3.40 0.36 5.49 -4.23 -1.26 -4.85 115.64 112.58 1o1j s THR 4 Ca 0.21 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1o1j s THR 4 Cb -0.07 -3.21 0.32 0.00 1.34 0.00 0.00 72.50 70.88 1o1j s THR 4 CO 0.10 -0.60 1.90 -0.65 -0.54 0.00 0.00 174.62 174.83 1o1j h PRO 5 N -0.95 0.67 -0.15 3.99 0.11 -2.01 -1.61 132.00 132.06 1o1j h PRO 5 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1o1j h PRO 5 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1o1j h PRO 5 CO 0.59 0.45 0.09 0.93 -0.21 0.00 0.00 178.00 179.84 1o1j h GLU 6 N 0.69 0.20 -0.55 1.05 3.07 -2.00 -1.66 114.58 115.39 1o1j h GLU 6 Ca 0.41 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.16 1o1j h GLU 6 Cb 0.60 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1o1j h GLU 6 CO -0.17 0.19 -0.01 0.93 -1.40 0.00 0.00 179.01 178.55 1o1j h GLU 7 N 0.16 0.94 -0.19 2.33 5.08 -1.79 -1.30 114.58 119.81 1o1j h GLU 7 Ca 0.05 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1o1j h GLU 7 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1o1j h GLU 7 CO -0.01 0.94 0.10 -0.22 -1.00 0.00 0.00 179.01 178.82 1o1j h LYS 8 N 0.87 0.20 -0.52 2.33 3.64 -1.06 -1.30 116.57 120.72 1o1j h LYS 8 Ca 0.16 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1o1j h LYS 8 Cb 0.53 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1o1j h LYS 8 CO 0.03 0.13 0.15 0.77 -2.27 0.00 0.00 179.45 178.26 1o1j h SER 9 N 0.21 0.73 -0.18 4.20 0.02 -1.10 -0.61 113.55 116.81 1o1j h SER 9 Ca 0.08 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1o1j h SER 9 Cb 0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1o1j h SER 9 CO -0.05 0.71 -0.11 0.00 -1.14 0.00 0.00 176.83 176.23 1o1j h ALA 10 N 1.40 1.21 -0.05 3.77 0.00 -0.85 0.68 119.26 125.42 1o1j h ALA 10 Ca 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1o1j h ALA 10 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1o1j h ALA 10 CO -0.01 0.51 -0.26 0.28 0.00 0.00 0.00 179.25 179.77 1o1j h VAL 11 N 0.51 1.45 -0.64 0.00 2.07 -0.58 -3.16 116.25 115.91 1o1j h VAL 11 Ca 0.09 -1.72 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 1o1j h VAL 11 Cb 0.50 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1o1j h VAL 11 CO 0.03 0.49 0.20 0.74 0.02 0.00 0.00 177.57 179.04 1o1j h THR 12 N -0.28 1.25 0.16 2.57 2.02 -1.04 -2.16 112.91 115.43 1o1j h THR 12 Ca -0.02 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1o1j h THR 12 Cb 0.93 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1o1j h THR 12 CO 0.05 0.32 -0.08 0.00 0.37 0.00 0.00 175.52 176.19 1o1j h ALA 13 N 1.07 -0.21 -0.85 6.16 0.00 -0.93 -2.70 119.26 121.80 1o1j h ALA 13 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1o1j h ALA 13 Cb 0.29 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1o1j h ALA 13 CO -0.01 -0.58 0.47 1.25 0.00 0.00 0.00 179.25 180.38 1o1j h LEU 14 N -0.30 1.06 -2.11 0.00 5.85 -1.54 -2.79 115.31 115.48 1o1j h LEU 14 Ca -0.02 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1o1j h LEU 14 Cb 0.23 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1o1j h LEU 14 CO 0.04 0.85 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.67 1o1j h TRP 15 N 1.18 0.00 0.00 1.25 2.91 -1.16 0.21 115.95 120.35 1o1j h TRP 15 Ca 0.30 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.32 1o1j h TRP 15 Cb 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1o1j h TRP 15 CO 0.01 0.07 0.00 0.78 -1.03 0.00 0.00 178.44 178.26 1o1j h GLY 16 N 0.33 0.00 -1.81 2.65 0.00 -1.20 -1.44 103.07 101.60 1o1j h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1j h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1o1j n LYS 17 N -2.48 2.27 -3.20 4.80 5.02 0.06 -4.96 118.16 119.69 1o1j n LYS 17 Ca 0.00 -1.88 -0.39 0.00 -2.02 0.00 0.00 58.31 54.02 1o1j n LYS 17 Cb 0.16 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1o1j n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1j s VAL 18 N -1.83 4.83 -0.57 -0.18 1.01 -0.55 -5.02 120.40 118.09 1o1j s VAL 18 Ca 0.33 1.29 -0.21 0.00 0.00 0.00 0.00 61.98 63.38 1o1j s VAL 18 Cb 0.21 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1o1j s VAL 18 CO 0.31 0.46 0.79 0.21 0.00 0.00 0.00 175.10 176.86 1o1j s ASN 19 N -0.47 6.23 0.27 3.32 3.84 -1.26 -4.93 114.94 121.94 1o1j s ASN 19 Ca 0.31 -0.91 0.00 0.00 0.21 0.00 0.00 52.86 52.47 1o1j s ASN 19 Cb -0.19 -2.36 0.53 0.00 -0.55 0.00 0.00 41.25 38.69 1o1j s ASN 19 CO 0.18 -1.14 1.82 0.58 -2.79 0.00 0.00 177.10 175.75 1o1j h VAL 20 N 5.94 0.88 -0.18 -5.21 2.07 -1.95 -0.41 116.25 117.39 1o1j h VAL 20 Ca -0.28 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1o1j h VAL 20 Cb 1.08 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1o1j h VAL 20 CO 1.07 0.16 -0.02 -0.78 0.02 0.00 0.00 177.57 178.02 1o1j h ASP 21 N 0.90 0.33 -0.09 0.57 1.82 -1.91 0.16 116.42 118.19 1o1j h ASP 21 Ca 0.48 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1o1j h ASP 21 Cb 0.51 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 1o1j h ASP 21 CO -0.28 0.59 -0.08 -0.08 -1.61 0.00 0.00 179.24 177.78 1o1j h GLU 22 N 0.06 0.21 -0.43 0.28 4.81 -1.86 -2.01 114.58 115.64 1o1j h GLU 22 Ca 0.05 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1o1j h GLU 22 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1o1j h GLU 22 CO 0.01 0.63 -0.12 0.28 -0.73 0.00 0.00 179.01 179.08 1o1j h VAL 23 N -0.20 1.26 0.07 0.32 2.07 -1.11 -1.01 116.25 117.65 1o1j h VAL 23 Ca 0.01 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1o1j h VAL 23 Cb 0.59 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1o1j h VAL 23 CO 0.02 0.40 -0.03 1.23 0.02 0.00 0.00 177.57 179.21 1o1j h GLY 24 N 0.97 -0.09 0.77 2.17 0.00 -0.65 -0.75 103.07 105.49 1o1j h GLY 24 Ca 0.12 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1o1j h GLY 24 CO 0.04 -0.03 0.42 -1.33 0.00 0.00 0.00 176.54 175.63 1o1j h GLY 25 N -0.20 1.02 1.27 4.60 0.00 -1.34 -2.23 103.07 106.19 1o1j h GLY 25 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1o1j h GLY 25 CO 0.01 0.22 -0.14 -2.09 0.00 0.00 0.00 176.54 174.54 1o1j h GLU 26 N 0.78 0.85 -0.30 4.80 4.81 -0.86 -1.57 114.58 123.10 1o1j h GLU 26 Ca 0.30 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1o1j h GLU 26 Cb 0.11 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1o1j h GLU 26 CO -0.15 0.94 -0.48 0.00 -0.73 0.00 0.00 179.01 178.59 1o1j h ALA 27 N 1.07 0.57 -0.32 2.92 0.00 -1.01 -1.10 119.26 121.40 1o1j h ALA 27 Ca 0.12 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1o1j h ALA 27 Cb 0.66 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1o1j h ALA 27 CO 0.05 0.68 -0.35 1.25 0.00 0.00 0.00 179.25 180.88 1o1j h LEU 28 N 0.65 0.85 -0.53 0.00 5.85 -1.24 -1.65 115.31 119.25 1o1j h LEU 28 Ca 0.03 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1o1j h LEU 28 Cb 1.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1o1j h LEU 28 CO 0.11 1.16 0.31 1.23 -0.34 0.00 0.00 178.44 180.91 1o1j h GLY 29 N 0.56 0.75 1.51 3.75 0.00 -1.23 -1.85 103.07 106.57 1o1j h GLY 29 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1o1j h GLY 29 CO 0.08 0.19 -0.13 3.21 0.00 0.00 0.00 176.54 179.89 1o1j h ARG 30 N 0.61 0.59 -0.40 4.80 3.08 -1.13 -0.62 114.38 121.31 1o1j h ARG 30 Ca 0.22 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1o1j h ARG 30 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1o1j h ARG 30 CO -0.10 0.71 0.22 1.25 -1.07 0.00 0.00 179.97 180.98 1o1j h LEU 31 N 0.54 0.35 -1.05 3.04 5.85 -0.97 0.25 115.31 123.32 1o1j h LEU 31 Ca 0.09 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1o1j h LEU 31 Cb 0.54 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1o1j h LEU 31 CO 0.03 0.25 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.10 1o1j h LEU 32 N 0.45 0.00 0.08 2.25 3.38 -0.74 -1.65 115.31 119.09 1o1j h LEU 32 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1o1j h LEU 32 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1o1j h LEU 32 CO -0.09 0.22 -0.65 0.58 0.09 0.00 0.00 178.44 178.60 1o1j h VAL 33 N 0.00 1.51 0.08 1.22 2.07 -0.80 -3.29 116.25 117.04 1o1j h VAL 33 Ca -0.00 -2.44 -0.25 0.00 0.82 0.00 0.00 66.70 64.82 1o1j h VAL 33 Cb 0.77 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1o1j h VAL 33 CO 0.03 0.66 -1.12 0.58 0.02 0.00 0.00 177.57 177.74 1o1j h VAL 34 N -0.60 1.46 -2.50 2.57 2.07 -0.45 -3.36 116.25 115.43 1o1j h VAL 34 Ca -0.13 -2.81 -0.60 0.00 0.82 0.00 0.00 66.70 63.98 1o1j h VAL 34 Cb 1.43 2.73 -0.42 0.00 -1.52 0.00 0.00 31.29 33.51 1o1j h VAL 34 CO 0.07 0.83 -0.63 -1.22 0.02 0.00 0.00 177.57 176.64 1o1j n TYR 35 N -3.62 3.09 0.23 1.57 4.01 -0.63 -4.98 117.16 116.84 1o1j n TYR 35 Ca -0.08 -4.14 0.10 0.00 -0.16 0.00 0.00 57.90 53.62 1o1j n TYR 35 Cb 0.94 -0.54 0.50 0.00 -0.31 0.00 0.00 39.34 39.94 1o1j n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1o1j n PRO 36 N 1.35 0.14 0.30 -0.72 -0.04 -1.24 -1.18 135.00 133.61 1o1j n PRO 36 Ca 0.26 0.55 0.19 0.00 -0.04 0.00 0.00 63.50 64.46 1o1j n PRO 36 Cb 0.40 -1.88 0.89 0.00 -0.04 0.00 0.00 33.50 32.87 1o1j n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1o1j h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.14 115.95 113.53 1o1j h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1j h TRP 37 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.36 1o1j h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1j n THR 38 N -3.06 0.77 0.41 0.12 -2.24 -0.32 -2.23 114.28 107.74 1o1j n THR 38 Ca -0.01 0.19 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 1o1j n THR 38 Cb 0.21 -0.93 0.38 0.00 -2.10 0.00 0.00 70.33 67.89 1o1j n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1j n GLN 39 N -1.40 0.09 0.30 -0.78 6.02 -0.43 -3.57 117.38 117.60 1o1j n GLN 39 Ca 0.05 0.35 0.20 0.00 -0.01 0.00 0.00 57.00 57.60 1o1j n GLN 39 Cb 0.15 -1.68 1.08 0.00 1.02 0.00 0.00 30.24 30.82 1o1j n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1j h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.66 -0.69 114.38 111.05 1o1j h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1j h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1o1j h ARG 40 CO 0.00 0.00 -0.67 1.19 0.10 0.00 0.00 179.97 180.59 1o1j n PHE 41 N -2.89 0.00 -2.04 4.08 3.72 -1.23 -4.54 117.46 114.55 1o1j n PHE 41 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1o1j n PHE 41 Cb 0.07 -0.14 0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1o1j n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1j n PHE 42 N -1.40 1.70 0.35 1.38 3.72 -0.26 -4.72 117.46 118.22 1o1j n PHE 42 Ca 0.05 -1.93 0.12 0.00 -0.05 0.00 0.00 57.45 55.65 1o1j n PHE 42 Cb 0.34 -0.29 0.53 0.00 -0.94 0.00 0.00 39.48 39.12 1o1j n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1j h GLU 43 N 1.86 0.00 -0.01 -1.08 4.39 -1.80 -1.77 114.58 116.17 1o1j h GLU 43 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1o1j h GLU 43 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1o1j h GLU 43 CO 0.46 0.00 -0.10 -1.13 -1.16 0.00 0.00 179.01 177.07 1o1j n SER 44 N -2.32 1.14 -0.20 1.42 3.41 -1.26 -3.92 113.62 111.90 1o1j n SER 44 Ca 0.01 -1.16 0.14 0.00 -0.26 0.00 0.00 58.87 57.60 1o1j n SER 44 Cb 0.20 0.04 0.61 0.00 -0.26 0.00 0.00 64.21 64.79 1o1j n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1j n PHE 45 N -0.29 0.00 -1.61 7.33 3.01 -0.67 -5.03 117.46 120.20 1o1j n PHE 45 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1o1j n PHE 45 Cb 0.33 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1o1j n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1j n GLY 46 N 1.23 0.64 3.64 1.37 0.00 -1.25 -4.75 105.19 106.05 1o1j n GLY 46 Ca 0.16 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1o1j n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1j s ASP 47 N -4.00 6.58 -0.10 1.61 2.15 -1.26 -4.83 116.67 116.81 1o1j s ASP 47 Ca 0.00 1.61 0.15 0.00 0.43 0.00 0.00 52.55 54.74 1o1j s ASP 47 Cb 0.00 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.32 1o1j s ASP 47 CO 0.00 -1.09 1.12 0.18 -0.17 0.00 0.00 175.17 175.21 1o1j n LEU 48 N 7.79 1.89 -0.15 -1.34 4.77 -1.26 -4.31 117.00 124.39 1o1j n LEU 48 Ca 0.17 -2.68 -0.03 0.00 -0.03 0.00 0.00 56.01 53.43 1o1j n LEU 48 Cb 0.45 -0.35 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 1o1j n LEU 48 CO 0.63 0.63 0.98 0.77 -1.33 0.00 0.00 177.39 179.07 1o1j h SER 49 N 0.01 0.82 -4.66 -1.43 4.64 -1.91 -3.44 113.55 107.58 1o1j h SER 49 Ca -0.00 -0.14 -0.27 0.00 -0.47 0.00 0.00 61.79 60.91 1o1j h SER 49 Cb 1.08 -0.21 -0.15 0.00 -0.31 0.00 0.00 62.40 62.81 1o1j h SER 49 CO 0.00 0.79 -0.66 0.42 -0.87 0.00 0.00 176.83 176.51 1o1j s THR 50 N -5.25 0.58 0.24 2.95 -4.23 -1.26 -5.01 115.64 103.66 1o1j s THR 50 Ca -0.10 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 1o1j s THR 50 Cb 0.15 -2.09 0.21 0.00 1.34 0.00 0.00 72.50 72.12 1o1j s THR 50 CO 0.81 -0.49 1.76 -0.65 -0.54 0.00 0.00 174.62 175.50 1o1j h PRO 51 N 2.74 0.53 -0.51 3.99 0.11 -1.98 0.14 132.00 137.02 1o1j h PRO 51 Ca -0.36 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 1o1j h PRO 51 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1o1j h PRO 51 CO 0.62 0.35 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.22 1o1j h ASP 52 N 0.55 0.93 -0.81 -2.05 3.32 -1.98 0.70 116.42 117.08 1o1j h ASP 52 Ca 0.40 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1o1j h ASP 52 Cb 0.54 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1o1j h ASP 52 CO -0.34 1.05 0.33 0.00 -1.72 0.00 0.00 179.24 178.55 1o1j h ALA 53 N 1.03 1.05 0.11 3.45 0.00 -1.62 -1.40 119.26 121.88 1o1j h ALA 53 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1o1j h ALA 53 Cb 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1o1j h ALA 53 CO 0.04 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.19 1o1j h VAL 54 N 1.17 0.97 0.00 0.00 2.07 -0.36 -1.99 116.25 118.10 1o1j h VAL 54 Ca 0.27 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1o1j h VAL 54 Cb 0.21 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1o1j h VAL 54 CO -0.02 0.07 -0.28 0.24 0.02 0.00 0.00 177.57 177.60 1o1j h MET 55 N -0.27 0.00 -0.05 1.57 2.07 -0.69 -2.45 114.93 115.11 1o1j h MET 55 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1o1j h MET 55 Cb 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1o1j h MET 55 CO 0.02 0.28 0.00 0.41 1.07 0.00 0.00 176.91 178.69 1o1j n GLY 56 N -0.29 0.66 3.67 8.32 0.00 -0.54 -4.90 105.19 112.11 1o1j n GLY 56 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1o1j n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1j s ASN 57 N -1.95 6.71 0.35 1.61 3.84 -0.76 -4.90 114.94 119.84 1o1j s ASN 57 Ca 0.32 2.22 0.12 0.00 0.21 0.00 0.00 52.86 55.74 1o1j s ASN 57 Cb 0.20 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.99 1o1j s ASN 57 CO 0.31 -0.87 1.77 1.55 -2.79 0.00 0.00 177.10 177.07 1o1j h PRO 58 N 8.93 0.00 -0.35 0.43 0.13 -1.91 -1.02 132.00 138.21 1o1j h PRO 58 Ca -0.39 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.58 1o1j h PRO 58 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1o1j h PRO 58 CO 0.94 0.43 -0.42 0.87 -0.23 0.00 0.00 178.00 179.59 1o1j h LYS 59 N 0.00 0.89 -0.24 0.86 1.57 -1.90 0.87 116.57 118.61 1o1j h LYS 59 Ca -0.00 -0.49 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1o1j h LYS 59 Cb 0.77 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1o1j h LYS 59 CO 0.06 1.13 0.11 0.28 -0.57 0.00 0.00 179.45 180.46 1o1j h VAL 60 N 0.72 0.98 -0.44 0.50 2.07 -1.78 -1.55 116.25 116.75 1o1j h VAL 60 Ca 0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1o1j h VAL 60 Cb 1.01 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1o1j h VAL 60 CO 0.10 0.04 0.27 0.11 0.02 0.00 0.00 177.57 178.11 1o1j h LYS 61 N 0.24 0.59 -0.79 1.57 1.57 -0.94 -0.37 116.57 118.45 1o1j h LYS 61 Ca 0.10 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1o1j h LYS 61 Cb 0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1o1j h LYS 61 CO -0.08 0.43 0.43 0.00 -0.57 0.00 0.00 179.45 179.67 1o1j h ALA 62 N 1.12 1.02 -0.46 3.86 0.00 -0.70 -1.77 119.26 122.33 1o1j h ALA 62 Ca 0.16 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1o1j h ALA 62 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1o1j h ALA 62 CO -0.03 0.53 -0.26 1.25 0.00 0.00 0.00 179.25 180.73 1o1j h HIS 63 N 1.10 1.14 -0.77 0.00 -0.00 -1.04 -2.66 115.15 112.91 1o1j h HIS 63 Ca 0.28 -0.30 0.09 0.00 -0.00 0.00 0.00 60.37 60.44 1o1j h HIS 63 Cb 0.03 -0.26 -0.07 0.00 -0.00 0.00 0.00 27.41 27.11 1o1j h HIS 63 CO 0.00 1.13 0.42 0.78 -0.00 0.00 0.00 177.93 180.26 1o1j h GLY 64 N 0.85 1.17 1.35 5.26 0.00 -0.70 -0.21 103.07 110.79 1o1j h GLY 64 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1o1j h GLY 64 CO 0.08 0.11 -0.36 1.70 0.00 0.00 0.00 176.54 178.07 1o1j h LYS 65 N 0.72 0.72 -0.39 4.80 3.64 -1.24 -1.01 116.57 123.80 1o1j h LYS 65 Ca 0.37 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1o1j h LYS 65 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1o1j h LYS 65 CO -0.24 0.97 0.14 -0.22 -2.27 0.00 0.00 179.45 177.82 1o1j h LYS 66 N 0.60 0.60 0.07 1.90 3.64 -1.10 0.19 116.57 122.48 1o1j h LYS 66 Ca 0.06 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1o1j h LYS 66 Cb 0.89 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1o1j h LYS 66 CO 0.08 0.59 -0.03 0.28 -2.27 0.00 0.00 179.45 178.10 1o1j h VAL 67 N 0.49 1.06 0.00 2.00 2.07 -0.95 -2.55 116.25 118.37 1o1j h VAL 67 Ca 0.13 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1o1j h VAL 67 Cb 0.23 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1o1j h VAL 67 CO -0.01 0.12 -0.22 0.25 0.02 0.00 0.00 177.57 177.73 1o1j h LEU 68 N -0.30 0.00 -0.87 2.57 5.85 -1.12 -1.67 115.31 119.77 1o1j h LEU 68 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1o1j h LEU 68 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1o1j h LEU 68 CO 0.02 0.22 -0.24 1.23 -0.34 0.00 0.00 178.44 179.33 1o1j h GLY 69 N 1.50 0.61 1.14 3.75 0.00 -0.39 0.10 103.07 109.79 1o1j h GLY 69 Ca -0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1o1j h GLY 69 CO 0.03 0.46 -0.49 0.00 0.00 0.00 0.00 176.54 176.55 1o1j h ALA 70 N 1.24 0.50 -0.00 3.60 0.00 -1.01 -1.94 119.26 121.66 1o1j h ALA 70 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1o1j h ALA 70 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1o1j h ALA 70 CO 0.05 0.68 -0.22 0.35 0.00 0.00 0.00 179.25 180.11 1o1j h PHE 71 N 0.71 -0.58 -0.49 0.00 3.57 -1.00 -1.96 116.94 117.19 1o1j h PHE 71 Ca 0.03 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1o1j h PHE 71 Cb 1.09 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 40.01 1o1j h PHE 71 CO 0.07 -0.30 -0.01 1.03 -2.23 0.00 0.00 178.31 176.87 1o1j h SER 72 N -0.34 -0.23 0.59 0.41 0.87 -0.68 0.16 113.55 114.32 1o1j h SER 72 Ca 0.06 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1o1j h SER 72 Cb 0.42 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1o1j h SER 72 CO -0.20 -0.08 -0.20 0.44 -0.53 0.00 0.00 176.83 176.26 1o1j h ASP 73 N 0.11 0.00 0.56 6.23 3.32 -1.14 -2.05 116.42 123.44 1o1j h ASP 73 Ca 0.25 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1o1j h ASP 73 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1o1j h ASP 73 CO -0.42 0.20 -0.27 1.23 -1.72 0.00 0.00 179.24 178.26 1o1j h GLY 74 N 1.38 0.00 2.00 2.75 0.00 0.09 -2.82 103.07 106.46 1o1j h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1j h GLY 74 CO 0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.98 1o1j h LEU 75 N 0.00 0.00 -0.86 3.11 3.38 -0.96 0.23 115.31 120.22 1o1j h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1o1j h LEU 75 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1o1j h LEU 75 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1o1j n ALA 76 N -1.92 2.58 -2.53 1.53 0.00 -1.06 -4.04 120.51 115.07 1o1j n ALA 76 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 1o1j n ALA 76 Cb 0.17 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1o1j n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1j n HIS 77 N 0.05 1.87 0.31 0.00 8.25 0.81 -4.90 115.22 121.62 1o1j n HIS 77 Ca 0.19 -2.29 0.21 0.00 -0.26 0.00 0.00 57.72 55.56 1o1j n HIS 77 Cb 0.32 -0.27 1.06 0.00 1.12 0.00 0.00 29.99 32.21 1o1j n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1j h LEU 78 N 2.51 0.00 -1.86 2.41 4.07 -1.69 -0.43 115.31 120.32 1o1j h LEU 78 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1o1j h LEU 78 Cb 1.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1o1j h LEU 78 CO 0.44 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.27 1o1j n ASP 79 N -2.97 2.74 -2.78 -0.43 8.00 -1.26 -2.74 116.55 117.11 1o1j n ASP 79 Ca -0.02 -1.94 -0.10 0.00 0.71 0.00 0.00 54.79 53.45 1o1j n ASP 79 Cb 0.11 -0.28 0.07 0.00 -0.02 0.00 0.00 41.12 41.00 1o1j n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1j n ASN 80 N 1.01 -1.15 -0.14 -2.24 5.15 -0.18 -4.38 115.26 113.32 1o1j n ASN 80 Ca 0.18 -3.02 -0.06 0.00 -0.60 0.00 0.00 54.58 51.08 1o1j n ASN 80 Cb 0.46 0.86 0.12 0.00 -0.53 0.00 0.00 39.78 40.69 1o1j n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1j h LEU 81 N 2.65 0.85 -0.17 1.20 3.38 -1.71 -2.16 115.31 119.35 1o1j h LEU 81 Ca -0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1o1j h LEU 81 Cb 1.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1o1j h LEU 81 CO 0.17 0.91 0.08 0.11 0.09 0.00 0.00 178.44 179.80 1o1j h LYS 82 N 0.81 0.25 -0.23 1.13 1.57 -1.90 -1.98 116.57 116.22 1o1j h LYS 82 Ca 0.15 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1o1j h LYS 82 Cb 0.49 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1o1j h LYS 82 CO 0.02 0.31 -0.40 0.78 -0.57 0.00 0.00 179.45 179.59 1o1j h GLY 83 N 0.14 0.58 1.54 3.86 0.00 -1.94 -1.57 103.07 105.68 1o1j h GLY 83 Ca 0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1o1j h GLY 83 CO -0.01 0.52 0.18 -0.84 0.00 0.00 0.00 176.54 176.40 1o1j h THR 84 N 0.44 1.16 -0.27 4.70 2.02 -1.24 -3.20 112.91 116.51 1o1j h THR 84 Ca 0.04 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1o1j h THR 84 Cb 0.89 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1o1j h THR 84 CO 0.08 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1o1j n PHE 85 N -4.38 0.36 -0.02 3.16 3.72 -0.76 -4.71 117.46 114.82 1o1j n PHE 85 Ca 0.03 -0.37 -0.09 0.00 -0.05 0.00 0.00 57.45 56.98 1o1j n PHE 85 Cb 0.14 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1o1j n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1j h ALA 86 N 2.19 0.03 -0.35 4.37 0.00 -1.29 0.11 119.26 124.32 1o1j h ALA 86 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1o1j h ALA 86 Cb 0.68 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1o1j h ALA 86 CO 0.00 -0.54 -0.34 1.15 0.00 0.00 0.00 179.25 179.52 1o1j h THR 87 N -0.10 1.28 -0.05 0.00 2.02 -1.84 -1.97 112.91 112.26 1o1j h THR 87 Ca 0.10 -1.50 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 1o1j h THR 87 Cb 0.25 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1o1j h THR 87 CO -0.23 0.50 -0.26 -0.07 0.37 0.00 0.00 175.52 175.82 1o1j h LEU 88 N 0.66 0.08 -0.23 2.58 3.38 -1.80 -1.50 115.31 118.47 1o1j h LEU 88 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1o1j h LEU 88 Cb 0.89 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1o1j h LEU 88 CO 0.08 0.34 0.09 -1.28 0.09 0.00 0.00 178.44 177.76 1o1j h SER 89 N 0.07 0.33 -0.69 -0.43 0.87 -0.19 -1.28 113.55 112.23 1o1j h SER 89 Ca 0.01 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1o1j h SER 89 Cb 0.51 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1o1j h SER 89 CO 0.04 0.42 0.33 -0.33 -0.53 0.00 0.00 176.83 176.76 1o1j h GLU 90 N 0.22 1.01 -0.10 2.24 5.08 -1.15 -2.13 114.58 119.76 1o1j h GLU 90 Ca 0.08 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1o1j h GLU 90 Cb 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1o1j h GLU 90 CO -0.00 0.79 0.05 1.25 -1.00 0.00 0.00 179.01 180.09 1o1j h LEU 91 N 1.01 0.13 -1.44 1.33 5.85 -1.02 0.39 115.31 121.56 1o1j h LEU 91 Ca 0.25 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1o1j h LEU 91 Cb 0.11 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1o1j h LEU 91 CO -0.03 0.19 -0.25 0.45 -0.34 0.00 0.00 178.44 178.47 1o1j h HIS 92 N 0.05 0.00 0.00 1.25 3.86 -0.97 -1.67 115.15 117.66 1o1j h HIS 92 Ca 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1o1j h HIS 92 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1o1j h HIS 92 CO -0.04 0.25 -0.09 0.00 0.86 0.00 0.00 177.93 178.91 1o1j h ASP 94 N -1.00 0.41 0.00 0.00 3.32 -0.96 -3.19 116.42 115.00 1o1j h ASP 94 Ca -0.00 -0.26 -0.18 0.00 0.02 0.00 0.00 57.03 56.60 1o1j h ASP 94 Cb 0.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1o1j h ASP 94 CO -0.00 0.98 -1.69 0.29 -1.72 0.00 0.00 179.24 177.10 1o1j n LYS 95 N -3.83 0.65 0.04 3.56 4.76 -0.73 -4.74 118.16 117.87 1o1j n LYS 95 Ca -0.04 0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.57 1o1j n LYS 95 Cb 0.69 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.56 1o1j n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1j n LEU 96 N -2.78 0.44 -3.61 -0.35 4.77 -0.71 -4.99 117.00 109.77 1o1j n LEU 96 Ca -0.21 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 1o1j n LEU 96 Cb 0.75 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.85 1o1j n LEU 96 CO 0.14 -0.05 0.02 1.41 -1.33 0.00 0.00 177.39 177.57 1o1j n HIS 97 N -2.33 -2.07 -3.39 -1.77 8.25 -0.09 -4.96 115.22 108.86 1o1j n HIS 97 Ca -0.01 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 57.92 1o1j n HIS 97 Cb 0.53 -4.65 -0.09 0.00 1.12 0.00 0.00 29.99 26.90 1o1j n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1j s VAL 98 N -3.52 5.16 -0.11 1.59 1.01 -0.64 -5.04 120.40 118.85 1o1j s VAL 98 Ca 0.06 -0.15 -0.37 0.00 0.00 0.00 0.00 61.98 61.53 1o1j s VAL 98 Cb -0.03 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.32 1o1j s VAL 98 CO 0.78 -0.21 1.74 -0.67 0.00 0.00 0.00 175.10 176.74 1o1j n ASP 99 N 5.41 2.84 0.17 3.32 -0.08 -1.26 -4.77 116.55 122.19 1o1j n ASP 99 Ca -0.09 1.04 0.12 0.00 -1.51 0.00 0.00 54.79 54.35 1o1j n ASP 99 Cb 0.49 -1.28 0.63 0.00 2.34 0.00 0.00 41.12 43.30 1o1j n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1j h PRO 100 N 7.63 0.00 -0.43 -0.67 0.11 -1.96 -1.07 132.00 135.61 1o1j h PRO 100 Ca -0.47 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1o1j h PRO 100 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1o1j h PRO 100 CO 0.93 0.00 0.29 1.49 -0.21 0.00 0.00 178.00 180.49 1o1j h GLU 101 N 0.00 0.33 -0.33 1.05 4.57 -1.99 -1.55 114.58 116.66 1o1j h GLU 101 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1o1j h GLU 101 Cb 0.06 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1o1j h GLU 101 CO 0.00 0.22 0.22 -0.91 -1.18 0.00 0.00 179.01 177.36 1o1j h ASN 102 N 0.34 0.32 -0.05 1.04 2.35 -1.56 -2.04 115.58 115.98 1o1j h ASN 102 Ca 0.19 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1o1j h ASN 102 Cb 0.31 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1o1j h ASN 102 CO -0.04 0.22 -0.25 -0.26 -1.65 0.00 0.00 177.43 175.45 1o1j h PHE 103 N 0.37 0.53 -0.14 1.19 0.04 -1.46 0.12 116.94 117.59 1o1j h PHE 103 Ca 0.13 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 1o1j h PHE 103 Cb 0.06 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1o1j h PHE 103 CO -0.00 0.68 -0.41 0.00 -0.60 0.00 0.00 178.31 177.98 1o1j h ARG 104 N 0.42 0.53 -0.35 1.51 3.08 -1.40 -1.03 114.38 117.13 1o1j h ARG 104 Ca 0.06 -0.38 0.04 0.00 0.07 0.00 0.00 59.98 59.78 1o1j h ARG 104 Cb 0.66 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1o1j h ARG 104 CO 0.05 1.00 0.11 -0.07 -1.07 0.00 0.00 179.97 179.98 1o1j h LEU 105 N 0.16 0.10 -0.72 3.04 3.38 -1.33 -1.43 115.31 118.51 1o1j h LEU 105 Ca -0.01 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1o1j h LEU 105 Cb 1.03 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1o1j h LEU 105 CO 0.09 0.09 0.40 -0.25 0.09 0.00 0.00 178.44 178.86 1o1j h TRP 106 N 0.25 0.72 -0.73 1.13 7.01 -0.92 -1.22 115.95 122.19 1o1j h TRP 106 Ca 0.16 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1o1j h TRP 106 Cb 0.15 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 1o1j h TRP 106 CO -0.15 0.32 0.35 0.78 -2.79 0.00 0.00 178.44 176.95 1o1j h GLY 107 N 0.71 1.13 1.43 2.65 0.00 -0.68 0.05 103.07 108.36 1o1j h GLY 107 Ca 0.33 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1o1j h GLY 107 CO -0.21 0.54 -0.31 3.43 0.00 0.00 0.00 176.54 179.99 1o1j h ASN 108 N 1.03 0.67 -0.04 0.19 2.35 -0.89 -2.01 115.58 116.88 1o1j h ASN 108 Ca 0.25 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1o1j h ASN 108 Cb 0.13 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1o1j h ASN 108 CO -0.03 0.94 -0.39 0.58 -1.65 0.00 0.00 177.43 176.88 1o1j h VAL 109 N 0.55 1.30 -0.56 2.81 2.07 -0.91 -2.21 116.25 119.30 1o1j h VAL 109 Ca 0.06 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 1o1j h VAL 109 Cb 0.81 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1o1j h VAL 109 CO 0.07 0.48 0.10 0.25 0.02 0.00 0.00 177.57 178.49 1o1j h LEU 110 N 0.45 0.84 -0.79 2.57 5.85 -0.75 -1.45 115.31 122.03 1o1j h LEU 110 Ca 0.04 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1o1j h LEU 110 Cb 0.87 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1o1j h LEU 110 CO 0.07 0.84 0.02 0.58 -0.34 0.00 0.00 178.44 179.62 1o1j h VAL 111 N 0.85 1.25 -0.70 1.05 2.07 -1.05 -1.13 116.25 118.58 1o1j h VAL 111 Ca 0.18 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1o1j h VAL 111 Cb 0.36 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1o1j h VAL 111 CO 0.01 0.38 0.22 0.00 0.02 0.00 0.00 177.57 178.20 1o1j h VAL 113 N 1.04 1.26 -0.53 0.00 2.07 -0.75 -0.44 116.25 118.91 1o1j h VAL 113 Ca 0.23 -0.97 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1o1j h VAL 113 Cb 0.29 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1o1j h VAL 113 CO -0.01 0.37 -0.04 -0.07 0.02 0.00 0.00 177.57 177.84 1o1j h LEU 114 N 1.00 0.92 -0.80 2.57 3.38 -1.09 -0.29 115.31 121.00 1o1j h LEU 114 Ca 0.21 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1o1j h LEU 114 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1o1j h LEU 114 CO 0.00 1.00 0.08 0.00 0.09 0.00 0.00 178.44 179.61 1o1j h ALA 115 N 1.09 1.01 -0.42 1.53 0.00 -1.10 0.76 119.26 122.13 1o1j h ALA 115 Ca 0.15 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1o1j h ALA 115 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1o1j h ALA 115 CO 0.03 0.63 -0.23 1.25 0.00 0.00 0.00 179.25 180.92 1o1j h HIS 116 N 0.92 1.04 -0.33 0.00 -0.00 -0.82 0.14 115.15 116.11 1o1j h HIS 116 Ca 0.18 -0.27 -0.11 0.00 -0.00 0.00 0.00 60.37 60.18 1o1j h HIS 116 Cb 0.43 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1o1j h HIS 116 CO 0.03 1.06 -0.21 0.45 -0.00 0.00 0.00 177.93 179.27 1o1j h HIS 117 N 0.72 0.84 -0.00 5.26 -0.00 -0.82 -3.35 115.15 117.79 1o1j h HIS 117 Ca 0.09 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1o1j h HIS 117 Cb 0.81 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1o1j h HIS 117 CO 0.06 0.95 -0.59 1.19 -0.00 0.00 0.00 177.93 179.54 1o1j n PHE 118 N -4.30 0.00 0.00 2.45 3.72 0.24 -5.05 117.46 114.52 1o1j n PHE 118 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1o1j n PHE 118 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1o1j n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1j n GLY 119 N 1.29 3.17 0.32 1.37 0.00 0.03 -1.91 105.19 109.45 1o1j n GLY 119 Ca 0.04 0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.30 1o1j n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1j h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.72 116.57 119.03 1o1j h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1o1j h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1o1j h LYS 120 CO 0.00 0.01 -0.04 1.49 -2.00 0.00 0.00 179.45 178.91 1o1j h GLU 121 N 0.00 0.00 -4.20 0.07 4.81 -1.78 -3.31 114.58 110.17 1o1j h GLU 121 Ca -0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1o1j h GLU 121 Cb 0.17 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.37 1o1j h GLU 121 CO 0.00 0.04 1.56 0.34 -0.73 0.00 0.00 179.01 180.22 1o1j n PHE 122 N -3.24 4.16 -1.76 0.92 7.35 0.24 -4.93 117.46 120.21 1o1j n PHE 122 Ca -0.01 -3.15 -0.31 0.00 -0.76 0.00 0.00 57.45 53.22 1o1j n PHE 122 Cb 0.22 -2.06 0.03 0.00 0.35 0.00 0.00 39.48 38.02 1o1j n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1j s THR 123 N 0.91 4.35 0.21 -2.13 -4.23 -1.25 -4.73 115.64 108.77 1o1j s THR 123 Ca 0.41 0.76 -0.10 0.00 -1.18 0.00 0.00 61.69 61.58 1o1j s THR 123 Cb 0.02 -3.66 0.16 0.00 1.34 0.00 0.00 72.50 70.36 1o1j s THR 123 CO 0.00 -1.00 1.70 -0.65 -0.54 0.00 0.00 174.62 174.13 1o1j h PRO 124 N -0.50 0.21 -0.25 3.99 0.11 -1.94 0.48 132.00 134.11 1o1j h PRO 124 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1o1j h PRO 124 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1o1j h PRO 124 CO 0.60 0.14 -0.05 -1.35 -0.21 0.00 0.00 178.00 177.14 1o1j h PRO 125 N 0.22 0.39 -0.29 1.05 0.11 -1.99 0.24 132.00 131.73 1o1j h PRO 125 Ca 0.31 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 66.18 1o1j h PRO 125 Cb 0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1o1j h PRO 125 CO -0.42 0.46 -0.45 0.28 -0.21 0.00 0.00 178.00 177.66 1o1j h VAL 126 N 0.38 1.29 -0.33 3.15 2.07 -1.30 -2.70 116.25 118.80 1o1j h VAL 126 Ca 0.08 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1o1j h VAL 126 Cb 0.33 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1o1j h VAL 126 CO 0.01 0.53 0.21 -0.61 0.02 0.00 0.00 177.57 177.73 1o1j h GLN 127 N 0.60 0.43 -1.00 1.57 4.15 0.45 -1.83 115.11 119.47 1o1j h GLN 127 Ca 0.04 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1o1j h GLN 127 Cb 1.02 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.53 1o1j h GLN 127 CO 0.10 0.30 0.63 0.00 -1.93 0.00 0.00 178.83 177.93 1o1j h ALA 128 N 1.11 1.51 -0.31 3.38 0.00 -0.83 0.18 119.26 124.30 1o1j h ALA 128 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1o1j h ALA 128 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1o1j h ALA 128 CO -0.02 0.22 -0.15 0.00 0.00 0.00 0.00 179.25 179.29 1o1j h ALA 129 N 1.54 0.44 -0.11 0.00 0.00 -1.16 -2.43 119.26 117.54 1o1j h ALA 129 Ca 0.50 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1o1j h ALA 129 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1o1j h ALA 129 CO -0.27 0.35 -0.25 1.88 0.00 0.00 0.00 179.25 180.96 1o1j h TYR 130 N 0.42 0.21 -0.71 0.00 0.05 -0.46 -2.53 116.97 113.96 1o1j h TYR 130 Ca 0.07 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1o1j h TYR 130 Cb 0.68 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1o1j h TYR 130 CO 0.06 0.44 0.26 1.96 -1.05 0.00 0.00 178.16 179.83 1o1j h GLN 131 N 0.18 1.06 -0.57 4.88 1.08 -0.36 -0.64 115.11 120.74 1o1j h GLN 131 Ca 0.03 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 1o1j h GLN 131 Cb 0.55 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1o1j h GLN 131 CO 0.04 0.88 0.05 0.87 -0.95 0.00 0.00 178.83 179.72 1o1j h LYS 132 N 1.03 0.95 -0.09 1.46 1.57 -1.20 -1.48 116.57 118.81 1o1j h LYS 132 Ca 0.23 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1o1j h LYS 132 Cb 0.23 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1o1j h LYS 132 CO -0.02 0.91 -0.04 0.28 -0.57 0.00 0.00 179.45 180.01 1o1j h VAL 133 N 0.89 1.32 -0.23 0.50 2.07 -0.97 0.63 116.25 120.46 1o1j h VAL 133 Ca 0.17 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 1o1j h VAL 133 Cb 0.45 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1o1j h VAL 133 CO 0.02 0.30 -0.28 -0.37 0.02 0.00 0.00 177.57 177.25 1o1j h VAL 134 N -0.17 1.27 -0.42 2.57 -1.51 -1.15 0.21 116.25 117.06 1o1j h VAL 134 Ca 0.02 -1.32 -0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1o1j h VAL 134 Cb 0.49 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1o1j h VAL 134 CO 0.01 0.42 0.25 0.00 -1.23 0.00 0.00 177.57 177.02 1o1j h ALA 135 N 1.30 0.54 -0.80 5.19 0.00 -1.20 -0.54 119.26 123.74 1o1j h ALA 135 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1o1j h ALA 135 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1o1j h ALA 135 CO 0.05 0.04 0.43 0.78 0.00 0.00 0.00 179.25 180.55 1o1j h GLY 136 N 0.56 1.21 1.03 0.00 0.00 -0.30 0.19 103.07 105.76 1o1j h GLY 136 Ca 0.15 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1o1j h GLY 136 CO -0.03 0.54 -0.07 -2.08 0.00 0.00 0.00 176.54 174.90 1o1j h VAL 137 N 1.12 1.27 -0.23 4.60 2.07 -0.41 -1.38 116.25 123.29 1o1j h VAL 137 Ca 0.28 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1o1j h VAL 137 Cb 0.05 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1o1j h VAL 137 CO -0.04 0.41 0.10 0.00 0.02 0.00 0.00 177.57 178.06 1o1j h ALA 138 N 0.90 0.29 -0.96 1.67 0.00 -0.66 -1.18 119.26 119.33 1o1j h ALA 138 Ca 0.13 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1o1j h ALA 138 Cb 0.61 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1o1j h ALA 138 CO 0.04 -0.12 0.63 -0.91 0.00 0.00 0.00 179.25 178.88 1o1j h ASN 139 N 0.22 1.02 0.08 0.00 2.35 -0.89 -1.41 115.58 116.96 1o1j h ASN 139 Ca 0.08 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1o1j h ASN 139 Cb 0.15 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1o1j h ASN 139 CO -0.01 0.68 -0.37 0.00 -1.65 0.00 0.00 177.43 176.08 1o1j h ALA 140 N 1.46 1.03 0.00 -0.83 0.00 -0.83 -1.69 119.26 118.40 1o1j h ALA 140 Ca 0.39 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1o1j h ALA 140 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1o1j h ALA 140 CO -0.13 0.60 -0.25 -0.07 0.00 0.00 0.00 179.25 179.39 1o1j h LEU 141 N 0.33 0.00 -0.11 0.00 3.38 -0.69 -3.11 115.31 115.11 1o1j h LEU 141 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1o1j h LEU 141 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1o1j h LEU 141 CO 0.06 0.25 -0.53 0.00 0.09 0.00 0.00 178.44 178.32 1o1j n ALA 142 N -2.20 3.64 0.01 1.53 0.00 -0.58 -4.45 120.51 118.46 1o1j n ALA 142 Ca 0.01 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.09 1o1j n ALA 142 Cb 0.52 -1.06 0.43 0.00 0.00 0.00 0.00 19.45 19.34 1o1j n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1j h HIS 143 N 0.26 0.50 -0.70 0.00 6.17 -1.24 -2.62 115.15 117.52 1o1j h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1o1j h HIS 143 Cb 0.51 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.27 1o1j h HIS 143 CO 0.00 0.32 0.00 1.63 0.71 0.00 0.00 177.93 180.59 1o1j n LYS 144 N -4.47 3.16 -2.41 5.26 4.76 -1.26 -4.94 118.16 118.25 1o1j n LYS 144 Ca 0.03 -2.73 -0.38 0.00 -2.87 0.00 0.00 58.31 52.36 1o1j n LYS 144 Cb 0.06 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.51 1o1j n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1j s TYR 145 N -1.39 3.17 0.00 2.13 1.51 -0.99 -4.75 117.35 117.03 1o1j s TYR 145 Ca 0.50 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 58.16 1o1j s TYR 145 Cb 0.29 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 1o1j s TYR 145 CO 0.29 -0.99 0.00 -2.39 -1.11 0.00 0.00 175.55 171.36