#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1k s HIS 2 N 0.00 3.02 0.03 3.17 5.04 -1.26 -4.54 115.29 120.75 1o1k s HIS 2 Ca 0.00 0.43 0.08 0.00 -1.54 0.00 0.00 55.06 54.03 1o1k s HIS 2 Cb 0.00 -3.68 -0.03 0.00 0.04 0.00 0.00 32.58 28.91 1o1k s HIS 2 CO 0.00 -0.93 -0.24 -0.51 -2.34 0.00 0.00 174.74 170.72 1o1k s LEU 3 N 3.40 2.25 0.88 8.88 1.43 -1.26 -5.13 118.68 129.14 1o1k s LEU 3 Ca 0.34 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1o1k s LEU 3 Cb -0.12 -1.35 0.12 0.00 0.03 0.00 0.00 46.19 44.87 1o1k s LEU 3 CO 0.22 0.27 1.09 0.42 0.23 0.00 0.00 176.35 178.58 1o1k s THR 4 N -0.80 2.75 0.41 5.49 -4.23 -1.26 -4.78 115.64 113.23 1o1k s THR 4 Ca 0.12 0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1o1k s THR 4 Cb -0.10 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.35 1o1k s THR 4 CO 0.02 -0.32 2.05 -0.65 -0.54 0.00 0.00 174.62 175.19 1o1k h PRO 5 N -1.52 0.53 -0.30 3.99 0.11 -2.00 -1.22 132.00 131.58 1o1k h PRO 5 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1o1k h PRO 5 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1o1k h PRO 5 CO 0.52 0.35 0.10 0.93 -0.21 0.00 0.00 178.00 179.69 1o1k h GLU 6 N 0.55 0.46 -0.28 1.05 3.07 -2.00 -1.84 114.58 115.59 1o1k h GLU 6 Ca 0.16 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1o1k h GLU 6 Cb -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1o1k h GLU 6 CO -0.04 0.50 -0.33 0.93 -1.40 0.00 0.00 179.01 178.68 1o1k h GLU 7 N 0.33 0.60 0.61 2.33 5.08 -1.80 -2.21 114.58 119.52 1o1k h GLU 7 Ca 0.10 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1o1k h GLU 7 Cb 0.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1o1k h GLU 7 CO -0.00 0.84 -0.40 -0.22 -1.00 0.00 0.00 179.01 178.23 1o1k h LYS 8 N 0.51 -0.93 -0.63 2.33 1.63 -1.04 -1.92 116.57 116.51 1o1k h LYS 8 Ca 0.06 0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1o1k h LYS 8 Cb 0.81 0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 1o1k h LYS 8 CO 0.07 -0.62 0.32 1.03 -3.45 0.00 0.00 179.45 176.80 1o1k h SER 9 N -0.96 0.80 -0.25 4.20 0.87 -1.34 -2.03 113.55 114.83 1o1k h SER 9 Ca -0.07 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1o1k h SER 9 Cb 0.79 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1o1k h SER 9 CO 0.06 0.67 0.11 0.00 -0.53 0.00 0.00 176.83 177.14 1o1k h ALA 10 N 1.46 0.33 0.20 6.23 0.00 -1.22 -0.30 119.26 125.97 1o1k h ALA 10 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1o1k h ALA 10 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1o1k h ALA 10 CO -0.03 -0.10 -0.10 0.28 0.00 0.00 0.00 179.25 179.30 1o1k h VAL 11 N 0.27 0.87 -0.56 0.00 2.07 -1.18 -2.67 116.25 115.04 1o1k h VAL 11 Ca 0.09 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1o1k h VAL 11 Cb 0.14 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1o1k h VAL 11 CO -0.01 0.09 0.23 0.74 0.02 0.00 0.00 177.57 178.64 1o1k h THR 12 N -0.48 0.84 -0.25 2.57 2.02 -1.34 -1.71 112.91 114.55 1o1k h THR 12 Ca -0.03 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1o1k h THR 12 Cb 0.36 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1o1k h THR 12 CO 0.05 0.08 0.14 0.00 0.37 0.00 0.00 175.52 176.16 1o1k h ALA 13 N 1.36 0.32 -0.47 6.16 0.00 -1.03 -2.91 119.26 122.70 1o1k h ALA 13 Ca 0.27 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1o1k h ALA 13 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1o1k h ALA 13 CO -0.25 -0.16 -0.18 1.25 0.00 0.00 0.00 179.25 179.91 1o1k h LEU 14 N 0.30 0.93 -2.23 0.00 5.85 -1.28 -3.03 115.31 115.86 1o1k h LEU 14 Ca 0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1o1k h LEU 14 Cb 0.04 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1o1k h LEU 14 CO -0.02 1.09 -0.04 -0.25 -0.34 0.00 0.00 178.44 178.88 1o1k h TRP 15 N 0.80 0.00 0.00 1.25 2.91 -1.18 -1.40 115.95 118.33 1o1k h TRP 15 Ca 0.11 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1o1k h TRP 15 Cb 0.73 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1o1k h TRP 15 CO 0.04 0.04 0.00 0.41 -1.03 0.00 0.00 178.44 177.91 1o1k n GLY 16 N -0.72 -1.23 0.66 2.65 0.00 -1.11 -1.97 105.19 103.46 1o1k n GLY 16 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1o1k n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o1k n LYS 17 N -2.05 1.62 -2.90 1.61 5.02 -0.53 -4.96 118.16 115.97 1o1k n LYS 17 Ca 0.03 -1.32 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 1o1k n LYS 17 Cb 0.22 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1o1k n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1k s VAL 18 N -2.29 4.83 -0.68 -0.18 1.01 -0.83 -5.00 120.40 117.25 1o1k s VAL 18 Ca 0.23 1.75 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 1o1k s VAL 18 Cb 0.19 -4.18 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1o1k s VAL 18 CO 0.46 0.27 0.92 0.21 0.00 0.00 0.00 175.10 176.97 1o1k s ASN 19 N 0.47 6.24 0.21 3.32 3.84 -1.26 -4.92 114.94 122.83 1o1k s ASN 19 Ca 0.43 -1.24 -0.11 0.00 0.21 0.00 0.00 52.86 52.15 1o1k s ASN 19 Cb -0.20 -2.39 0.28 0.00 -0.55 0.00 0.00 41.25 38.39 1o1k s ASN 19 CO 0.24 -1.31 1.66 0.58 -2.79 0.00 0.00 177.10 175.48 1o1k h VAL 20 N 5.94 0.50 0.32 -5.21 2.07 -1.95 -1.43 116.25 116.50 1o1k h VAL 20 Ca -0.23 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1o1k h VAL 20 Cb 1.07 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1o1k h VAL 20 CO 1.15 0.02 -0.38 0.44 0.02 0.00 0.00 177.57 178.82 1o1k h ASP 21 N 0.11 -1.07 0.07 0.57 3.32 -1.92 -1.25 116.42 116.25 1o1k h ASP 21 Ca 0.31 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.48 1o1k h ASP 21 Cb 0.50 0.36 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1o1k h ASP 21 CO -0.52 -0.49 -0.31 -0.08 -1.72 0.00 0.00 179.24 176.13 1o1k h GLU 22 N -0.72 -0.48 -0.80 3.56 4.81 -1.91 -2.34 114.58 116.70 1o1k h GLU 22 Ca -0.04 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1o1k h GLU 22 Cb 0.64 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1o1k h GLU 22 CO -0.08 -0.32 0.51 0.28 -0.73 0.00 0.00 179.01 178.67 1o1k h VAL 23 N -0.50 1.12 -0.45 0.32 2.07 -1.29 -0.61 116.25 116.91 1o1k h VAL 23 Ca 0.04 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1o1k h VAL 23 Cb 0.55 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1o1k h VAL 23 CO -0.21 0.18 0.30 1.23 0.02 0.00 0.00 177.57 179.09 1o1k h GLY 24 N 0.99 0.63 1.37 2.17 0.00 -1.02 0.35 103.07 107.56 1o1k h GLY 24 Ca 0.32 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1o1k h GLY 24 CO -0.11 0.23 -0.42 -1.33 0.00 0.00 0.00 176.54 174.91 1o1k h GLY 25 N 0.61 0.75 0.92 4.60 0.00 -1.16 -2.15 103.07 106.63 1o1k h GLY 25 Ca 0.17 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1o1k h GLY 25 CO -0.04 0.70 0.03 -2.09 0.00 0.00 0.00 176.54 175.13 1o1k h GLU 26 N 0.56 0.07 -0.29 4.80 4.57 -0.77 -0.16 114.58 123.36 1o1k h GLU 26 Ca 0.04 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1o1k h GLU 26 Cb 0.95 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1o1k h GLU 26 CO 0.09 0.13 0.06 0.00 -1.18 0.00 0.00 179.01 178.11 1o1k h ALA 27 N 0.94 0.39 -0.71 2.92 0.00 -0.93 -0.98 119.26 120.89 1o1k h ALA 27 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1o1k h ALA 27 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1o1k h ALA 27 CO -0.00 0.06 0.32 1.25 0.00 0.00 0.00 179.25 180.88 1o1k h LEU 28 N 0.30 0.95 -0.24 0.00 5.85 -1.35 -1.40 115.31 119.42 1o1k h LEU 28 Ca 0.09 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1o1k h LEU 28 Cb 0.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1o1k h LEU 28 CO 0.00 0.84 0.11 1.23 -0.34 0.00 0.00 178.44 180.28 1o1k h GLY 29 N 1.01 0.38 1.92 3.75 0.00 -0.84 -2.30 103.07 106.99 1o1k h GLY 29 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1o1k h GLY 29 CO -0.03 0.18 -0.12 3.21 0.00 0.00 0.00 176.54 179.78 1o1k h ARG 30 N 0.26 0.10 0.13 4.80 3.08 -0.98 -1.67 114.38 120.10 1o1k h ARG 30 Ca 0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1o1k h ARG 30 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1o1k h ARG 30 CO -0.01 0.23 -0.06 1.25 -1.07 0.00 0.00 179.97 180.31 1o1k h LEU 31 N 0.10 -0.15 -1.80 3.04 5.85 -0.86 0.10 115.31 121.59 1o1k h LEU 31 Ca 0.02 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1o1k h LEU 31 Cb 0.29 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1o1k h LEU 31 CO 0.02 -0.05 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.86 1o1k h LEU 32 N -0.23 0.00 0.06 2.25 3.38 -0.97 -0.85 115.31 118.96 1o1k h LEU 32 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1o1k h LEU 32 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1o1k h LEU 32 CO 0.03 0.15 -0.92 0.58 0.09 0.00 0.00 178.44 178.37 1o1k h VAL 33 N 0.00 1.28 -0.00 1.22 2.07 -0.97 -3.27 116.25 116.58 1o1k h VAL 33 Ca -0.00 -2.36 -0.19 0.00 0.82 0.00 0.00 66.70 64.97 1o1k h VAL 33 Cb 0.29 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1o1k h VAL 33 CO 0.02 0.59 -0.85 0.58 0.02 0.00 0.00 177.57 177.93 1o1k h VAL 34 N -0.65 1.50 -2.60 2.57 2.07 -0.78 -3.36 116.25 115.01 1o1k h VAL 34 Ca -0.21 -2.60 -0.60 0.00 0.82 0.00 0.00 66.70 64.11 1o1k h VAL 34 Cb 1.44 2.44 -0.41 0.00 -1.52 0.00 0.00 31.29 33.25 1o1k h VAL 34 CO -0.00 0.76 -0.72 -1.22 0.02 0.00 0.00 177.57 176.40 1o1k n TYR 35 N -3.66 2.08 -0.35 1.57 4.01 -0.33 -4.99 117.16 115.50 1o1k n TYR 35 Ca -0.03 -3.98 0.30 0.00 -0.16 0.00 0.00 57.90 54.02 1o1k n TYR 35 Cb 0.79 -0.39 0.62 0.00 -0.31 0.00 0.00 39.34 40.04 1o1k n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1o1k h PRO 36 N 4.98 0.20 0.00 -0.72 0.11 -1.72 -1.69 132.00 133.17 1o1k h PRO 36 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1o1k h PRO 36 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1o1k h PRO 36 CO 0.65 0.13 0.00 0.11 -0.21 0.00 0.00 178.00 178.68 1o1k h TRP 37 N 0.21 0.00 0.00 0.65 0.09 -1.92 -0.24 115.95 114.74 1o1k h TRP 37 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.60 1o1k h TRP 37 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.20 1o1k h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1k n THR 38 N -2.35 0.52 0.40 0.12 -2.24 -0.63 -2.74 114.28 107.35 1o1k n THR 38 Ca -0.00 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1o1k n THR 38 Cb 0.13 -0.76 0.42 0.00 -2.10 0.00 0.00 70.33 68.02 1o1k n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1k n GLN 39 N -1.49 0.12 0.30 -0.78 6.02 -0.10 -3.28 117.38 118.17 1o1k n GLN 39 Ca 0.05 0.38 0.19 0.00 -0.01 0.00 0.00 57.00 57.62 1o1k n GLN 39 Cb 0.25 -1.75 0.99 0.00 1.02 0.00 0.00 30.24 30.75 1o1k n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1k h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.73 -0.70 114.38 110.95 1o1k h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1k h ARG 40 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1o1k h ARG 40 CO 0.00 0.00 -0.17 1.19 0.10 0.00 0.00 179.97 181.09 1o1k n PHE 41 N -3.31 0.00 -2.07 4.08 3.72 -1.20 -4.40 117.46 114.27 1o1k n PHE 41 Ca -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1o1k n PHE 41 Cb 0.21 -0.03 0.10 0.00 -0.94 0.00 0.00 39.48 38.83 1o1k n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1k n PHE 42 N 0.28 0.73 0.17 1.38 3.72 -0.27 -4.80 117.46 118.67 1o1k n PHE 42 Ca 0.14 -1.48 0.13 0.00 -0.05 0.00 0.00 57.45 56.19 1o1k n PHE 42 Cb 0.45 -0.24 0.69 0.00 -0.94 0.00 0.00 39.48 39.43 1o1k n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1k h GLU 43 N 1.45 0.00 -0.00 -1.08 4.39 -1.77 -1.46 114.58 116.12 1o1k h GLU 43 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1o1k h GLU 43 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1o1k h GLU 43 CO 0.21 0.00 -0.00 -1.13 -1.16 0.00 0.00 179.01 176.92 1o1k n SER 44 N -4.39 0.03 -0.00 1.42 3.41 -1.26 -3.54 113.62 109.29 1o1k n SER 44 Ca 0.01 -0.75 0.14 0.00 -0.26 0.00 0.00 58.87 58.01 1o1k n SER 44 Cb 0.27 -0.08 0.54 0.00 -0.26 0.00 0.00 64.21 64.68 1o1k n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1k n PHE 45 N -1.06 0.00 -0.12 7.33 3.01 -0.55 -5.04 117.46 121.03 1o1k n PHE 45 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1o1k n PHE 45 Cb 0.15 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1o1k n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1k n GLY 46 N 1.49 0.97 3.64 1.37 0.00 -1.23 -4.76 105.19 106.67 1o1k n GLY 46 Ca 0.07 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1o1k n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1k s ASP 47 N -4.00 6.92 -0.04 1.61 2.15 -1.26 -4.85 116.67 117.19 1o1k s ASP 47 Ca 0.00 1.23 0.07 0.00 0.43 0.00 0.00 52.55 54.29 1o1k s ASP 47 Cb 0.00 -2.54 0.12 0.00 -0.30 0.00 0.00 42.92 40.20 1o1k s ASP 47 CO 0.00 -0.86 1.06 0.18 -0.17 0.00 0.00 175.17 175.38 1o1k n LEU 48 N 6.87 0.79 -0.15 -1.34 4.77 -1.26 -4.40 117.00 122.27 1o1k n LEU 48 Ca 0.13 -1.72 -0.04 0.00 -0.03 0.00 0.00 56.01 54.34 1o1k n LEU 48 Cb 0.46 -0.13 0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1o1k n LEU 48 CO 0.58 0.43 0.93 0.77 -1.33 0.00 0.00 177.39 178.77 1o1k h SER 49 N 0.09 0.83 -2.68 -1.43 4.64 -1.92 -3.44 113.55 109.65 1o1k h SER 49 Ca -0.02 -0.18 -0.53 0.00 -0.47 0.00 0.00 61.79 60.60 1o1k h SER 49 Cb 1.31 -0.22 -0.14 0.00 -0.31 0.00 0.00 62.40 63.04 1o1k h SER 49 CO 0.01 0.84 -0.72 0.42 -0.87 0.00 0.00 176.83 176.51 1o1k s THR 50 N -5.14 1.99 0.18 2.95 -4.23 -1.26 -5.02 115.64 105.11 1o1k s THR 50 Ca -0.10 -2.24 -0.13 0.00 -1.18 0.00 0.00 61.69 58.04 1o1k s THR 50 Cb 0.15 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.76 1o1k s THR 50 CO 0.81 -0.41 1.77 -0.65 -0.54 0.00 0.00 174.62 175.60 1o1k h PRO 51 N 2.33 0.40 -0.51 3.99 0.11 -1.99 0.33 132.00 136.67 1o1k h PRO 51 Ca -0.40 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.70 1o1k h PRO 51 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1o1k h PRO 51 CO 0.64 0.27 0.33 -0.44 -0.21 0.00 0.00 178.00 178.59 1o1k h ASP 52 N 0.42 0.57 -0.88 -2.05 3.32 -1.98 0.25 116.42 116.06 1o1k h ASP 52 Ca 0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1o1k h ASP 52 Cb 0.19 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1o1k h ASP 52 CO -0.20 0.41 0.49 0.00 -1.72 0.00 0.00 179.24 178.22 1o1k h ALA 53 N 1.20 1.13 -0.09 3.45 0.00 -1.60 -1.23 119.26 122.12 1o1k h ALA 53 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1o1k h ALA 53 Cb -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1o1k h ALA 53 CO -0.05 0.63 -0.13 0.28 0.00 0.00 0.00 179.25 179.98 1o1k h VAL 54 N 1.23 1.38 0.00 0.00 2.07 0.33 -2.82 116.25 118.44 1o1k h VAL 54 Ca 0.31 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1o1k h VAL 54 Cb 0.02 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1o1k h VAL 54 CO -0.05 0.38 -0.28 0.24 0.02 0.00 0.00 177.57 177.89 1o1k h MET 55 N -0.19 0.00 -0.68 1.57 2.07 -0.43 -2.97 114.93 114.30 1o1k h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1o1k h MET 55 Cb 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.41 1o1k h MET 55 CO 0.03 0.28 0.00 0.41 1.07 0.00 0.00 176.91 178.70 1o1k n GLY 56 N -0.34 2.68 3.66 8.32 0.00 -0.47 -4.93 105.19 114.11 1o1k n GLY 56 Ca -0.01 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1o1k n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1k s ASN 57 N -0.95 7.00 0.35 1.61 3.84 -1.07 -4.96 114.94 120.76 1o1k s ASN 57 Ca 0.51 1.24 0.04 0.00 0.21 0.00 0.00 52.86 54.85 1o1k s ASN 57 Cb 0.31 -2.48 0.67 0.00 -0.55 0.00 0.00 41.25 39.19 1o1k s ASN 57 CO 0.28 -0.49 1.97 1.55 -2.79 0.00 0.00 177.10 177.62 1o1k h PRO 58 N 7.39 0.82 -0.27 0.43 0.13 -1.91 -2.47 132.00 136.12 1o1k h PRO 58 Ca -0.26 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.70 1o1k h PRO 58 Cb 1.11 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1o1k h PRO 58 CO 0.88 0.54 -0.32 0.87 -0.23 0.00 0.00 178.00 179.74 1o1k h LYS 59 N 0.84 0.56 -0.53 0.86 1.57 -1.93 -1.05 116.57 116.89 1o1k h LYS 59 Ca 0.30 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1o1k h LYS 59 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1o1k h LYS 59 CO -0.09 0.81 0.14 0.28 -0.57 0.00 0.00 179.45 180.02 1o1k h VAL 60 N 0.48 1.24 -0.38 0.50 2.07 -1.80 -1.45 116.25 116.92 1o1k h VAL 60 Ca 0.06 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1o1k h VAL 60 Cb 0.79 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1o1k h VAL 60 CO 0.06 0.31 0.01 0.11 0.02 0.00 0.00 177.57 178.08 1o1k h LYS 61 N 0.73 0.67 -0.10 1.57 1.57 -1.25 0.81 116.57 120.57 1o1k h LYS 61 Ca 0.17 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1o1k h LYS 61 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1o1k h LYS 61 CO 0.00 0.76 0.02 0.00 -0.57 0.00 0.00 179.45 179.66 1o1k h ALA 62 N 0.88 0.10 -0.25 3.86 0.00 -1.03 -1.38 119.26 121.45 1o1k h ALA 62 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1o1k h ALA 62 Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1o1k h ALA 62 CO 0.02 -0.44 0.02 1.25 0.00 0.00 0.00 179.25 180.10 1o1k h HIS 63 N 0.07 0.36 -0.33 0.00 -0.00 -1.20 -2.55 115.15 111.51 1o1k h HIS 63 Ca 0.04 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 1o1k h HIS 63 Cb 0.03 -0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 27.27 1o1k h HIS 63 CO -0.11 0.36 -0.07 0.78 -0.00 0.00 0.00 177.93 178.90 1o1k h GLY 64 N 0.64 0.25 1.87 5.26 0.00 0.29 -0.57 103.07 110.81 1o1k h GLY 64 Ca 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1o1k h GLY 64 CO 0.00 -0.12 -0.15 0.50 0.00 0.00 0.00 176.54 176.78 1o1k h LYS 65 N 0.01 0.16 0.67 4.80 1.57 -1.06 -2.71 116.57 120.01 1o1k h LYS 65 Ca 0.16 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1o1k h LYS 65 Cb 0.24 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1o1k h LYS 65 CO -0.32 0.31 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.33 1o1k h LYS 66 N 0.15 -0.86 -0.30 3.15 3.64 -0.87 -1.06 116.57 120.42 1o1k h LYS 66 Ca 0.03 0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1o1k h LYS 66 Cb 0.36 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1o1k h LYS 66 CO 0.02 -0.57 -0.03 0.11 -2.27 0.00 0.00 179.45 176.71 1o1k h TRP 67 N -1.22 0.60 -0.01 1.91 5.08 -1.33 -2.67 115.95 118.32 1o1k h TRP 67 Ca -0.09 -0.11 -0.04 0.00 1.08 0.00 0.00 58.89 59.72 1o1k h TRP 67 Cb 0.68 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.69 1o1k h TRP 67 CO 0.00 0.70 -0.18 1.25 -1.28 0.00 0.00 178.44 178.94 1o1k h LEU 68 N 0.33 0.02 -0.51 0.11 5.85 -1.60 0.08 115.31 119.59 1o1k h LEU 68 Ca 0.08 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1o1k h LEU 68 Cb 0.48 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1o1k h LEU 68 CO 0.02 0.20 0.19 1.23 -0.34 0.00 0.00 178.44 179.75 1o1k h GLY 69 N 0.57 0.83 1.08 3.75 0.00 -0.94 0.36 103.07 108.72 1o1k h GLY 69 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1o1k h GLY 69 CO 0.02 0.44 0.02 0.00 0.00 0.00 0.00 176.54 177.01 1o1k h ALA 70 N 1.04 0.83 -0.76 3.60 0.00 -1.01 -2.00 119.26 120.97 1o1k h ALA 70 Ca 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1o1k h ALA 70 Cb 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1o1k h ALA 70 CO -0.01 0.66 0.50 0.35 0.00 0.00 0.00 179.25 180.75 1o1k h PHE 71 N 0.98 0.95 -0.13 0.00 3.57 -0.52 -2.09 116.94 119.70 1o1k h PHE 71 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1o1k h PHE 71 Cb 0.55 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1o1k h PHE 71 CO 0.04 0.60 0.08 1.03 -2.23 0.00 0.00 178.31 177.83 1o1k h SER 72 N 1.02 0.15 0.33 0.41 0.87 0.07 -1.24 113.55 115.18 1o1k h SER 72 Ca 0.28 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1o1k h SER 72 Cb -0.11 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1o1k h SER 72 CO -0.06 0.14 -0.04 0.44 -0.53 0.00 0.00 176.83 176.78 1o1k h ASP 73 N 0.16 0.00 0.09 6.23 3.32 -1.12 -1.61 116.42 123.49 1o1k h ASP 73 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1o1k h ASP 73 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1o1k h ASP 73 CO -0.01 0.04 -0.37 1.23 -1.72 0.00 0.00 179.24 178.41 1o1k h GLY 74 N 0.71 0.41 2.00 2.75 0.00 -0.53 -2.69 103.07 105.73 1o1k h GLY 74 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1o1k h GLY 74 CO 0.01 0.35 0.00 1.41 0.00 0.00 0.00 176.54 178.31 1o1k h LEU 75 N 0.32 0.00 -0.34 3.11 3.38 -1.02 1.00 115.31 121.76 1o1k h LEU 75 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1o1k h LEU 75 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1o1k h LEU 75 CO 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.46 1o1k n ALA 76 N -1.87 2.83 -2.58 1.53 0.00 -1.01 -4.07 120.51 115.34 1o1k n ALA 76 Ca -0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1o1k n ALA 76 Cb 0.14 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.34 1o1k n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1k n HIS 77 N -0.81 1.89 0.34 0.00 8.25 0.34 -4.90 115.22 120.34 1o1k n HIS 77 Ca 0.14 -2.64 0.21 0.00 -0.26 0.00 0.00 57.72 55.17 1o1k n HIS 77 Cb 0.30 -0.27 1.13 0.00 1.12 0.00 0.00 29.99 32.27 1o1k n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1k h LEU 78 N 2.71 0.00 -0.16 2.41 -0.00 -1.70 -0.91 115.31 117.66 1o1k h LEU 78 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1o1k h LEU 78 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1o1k h LEU 78 CO 0.54 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 179.45 1o1k n ASP 79 N -3.02 0.81 -2.96 -0.43 8.00 -1.26 0.19 116.55 117.87 1o1k n ASP 79 Ca -0.03 0.60 -0.14 0.00 0.71 0.00 0.00 54.79 55.93 1o1k n ASP 79 Cb 0.13 -0.81 -0.01 0.00 -0.02 0.00 0.00 41.12 40.41 1o1k n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1k n ASN 80 N -2.28 -1.83 -0.08 -2.24 5.15 -0.35 -4.13 115.26 109.50 1o1k n ASN 80 Ca 0.05 -2.94 -0.14 0.00 -0.60 0.00 0.00 54.58 50.94 1o1k n ASN 80 Cb 0.39 0.82 -0.05 0.00 -0.53 0.00 0.00 39.78 40.41 1o1k n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1k h LEU 81 N 4.39 0.82 0.24 1.20 3.38 -1.75 -2.26 115.31 121.33 1o1k h LEU 81 Ca 0.00 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.46 1o1k h LEU 81 Cb 0.99 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1o1k h LEU 81 CO 0.31 1.18 -0.33 0.11 0.09 0.00 0.00 178.44 179.80 1o1k h LYS 82 N 0.48 -0.62 -0.97 1.13 1.57 -1.91 -0.95 116.57 115.31 1o1k h LYS 82 Ca 0.02 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1o1k h LYS 82 Cb 1.01 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.40 1o1k h LYS 82 CO 0.10 -0.41 0.63 0.78 -0.57 0.00 0.00 179.45 179.98 1o1k h GLY 83 N -0.64 1.44 1.50 3.86 0.00 -1.95 -1.50 103.07 105.78 1o1k h GLY 83 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1o1k h GLY 83 CO -0.12 0.38 -0.12 -0.84 0.00 0.00 0.00 176.54 175.84 1o1k h THR 84 N 1.20 1.24 -0.53 4.70 2.02 -0.99 -3.22 112.91 117.33 1o1k h THR 84 Ca 0.40 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1o1k h THR 84 Cb 0.06 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1o1k h THR 84 CO -0.14 0.36 0.00 0.49 0.37 0.00 0.00 175.52 176.60 1o1k n PHE 85 N -4.18 0.78 -0.09 3.16 3.72 -0.40 -4.69 117.46 115.75 1o1k n PHE 85 Ca 0.01 -0.53 -0.07 0.00 -0.05 0.00 0.00 57.45 56.82 1o1k n PHE 85 Cb 0.34 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1o1k n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1k h ALA 86 N 3.10 -0.02 -0.27 4.37 0.00 -1.29 0.11 119.26 125.26 1o1k h ALA 86 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1o1k h ALA 86 Cb 0.93 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1o1k h ALA 86 CO 0.03 -0.62 0.14 1.15 0.00 0.00 0.00 179.25 179.95 1o1k h THR 87 N -0.18 1.12 -0.29 0.00 2.02 -1.85 -1.87 112.91 111.87 1o1k h THR 87 Ca 0.17 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1o1k h THR 87 Cb 0.45 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1o1k h THR 87 CO -0.45 0.12 0.05 -0.07 0.37 0.00 0.00 175.52 175.54 1o1k h LEU 88 N 0.31 0.38 -0.29 2.58 3.38 -1.78 -1.41 115.31 118.48 1o1k h LEU 88 Ca 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1o1k h LEU 88 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1o1k h LEU 88 CO -0.01 0.40 0.10 -1.28 0.09 0.00 0.00 178.44 177.74 1o1k h SER 89 N 0.41 0.41 -0.96 -0.43 0.87 -0.30 -1.08 113.55 112.47 1o1k h SER 89 Ca 0.10 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1o1k h SER 89 Cb 0.19 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 1o1k h SER 89 CO -0.00 0.49 0.60 -0.33 -0.53 0.00 0.00 176.83 177.05 1o1k h GLU 90 N 0.31 1.29 0.27 2.24 5.08 -0.82 -2.55 114.58 120.39 1o1k h GLU 90 Ca 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1o1k h GLU 90 Cb 0.22 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1o1k h GLU 90 CO -0.00 0.89 -0.13 1.25 -1.00 0.00 0.00 179.01 180.01 1o1k h LEU 91 N 1.32 -0.31 -2.14 1.33 5.85 -0.92 -0.13 115.31 120.31 1o1k h LEU 91 Ca 0.35 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1o1k h LEU 91 Cb -0.09 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1o1k h LEU 91 CO -0.07 -0.12 -0.05 0.45 -0.34 0.00 0.00 178.44 178.32 1o1k h HIS 92 N -0.49 0.00 0.00 1.25 3.86 -1.09 -1.24 115.15 117.44 1o1k h HIS 92 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1o1k h HIS 92 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1o1k h HIS 92 CO -0.02 0.05 -0.17 0.00 0.86 0.00 0.00 177.93 178.64 1o1k h ASP 94 N -0.70 0.46 0.00 0.00 3.32 -1.07 -3.03 116.42 115.39 1o1k h ASP 94 Ca 0.00 -0.20 -0.25 0.00 0.02 0.00 0.00 57.03 56.60 1o1k h ASP 94 Cb 0.17 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1o1k h ASP 94 CO 0.00 0.81 -1.94 0.29 -1.72 0.00 0.00 179.24 176.68 1o1k n LYS 95 N -4.03 0.77 0.04 3.56 4.76 -0.55 -4.70 118.16 118.01 1o1k n LYS 95 Ca -0.02 0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.53 1o1k n LYS 95 Cb 0.50 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 1o1k n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1k n LEU 96 N -2.87 0.74 -3.60 -0.35 4.77 -0.73 -5.00 117.00 109.95 1o1k n LEU 96 Ca -0.28 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 1o1k n LEU 96 Cb 0.84 0.06 0.07 0.00 -2.33 0.00 0.00 43.42 42.06 1o1k n LEU 96 CO 0.19 0.06 0.15 1.41 -1.33 0.00 0.00 177.39 177.88 1o1k n HIS 97 N -2.77 -2.50 -3.13 -1.77 8.25 0.55 -4.96 115.22 108.89 1o1k n HIS 97 Ca -0.08 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1o1k n HIS 97 Cb 0.76 -4.84 -0.07 0.00 1.12 0.00 0.00 29.99 26.96 1o1k n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1k s VAL 98 N -3.37 5.00 0.02 1.59 1.01 0.00 -5.01 120.40 119.64 1o1k s VAL 98 Ca 0.36 1.08 -0.31 0.00 0.00 0.00 0.00 61.98 63.11 1o1k s VAL 98 Cb -0.16 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 1o1k s VAL 98 CO 0.75 0.04 1.93 -0.67 0.00 0.00 0.00 175.10 177.15 1o1k n ASP 99 N 5.68 3.98 0.10 3.32 -0.08 -1.26 -4.78 116.55 123.51 1o1k n ASP 99 Ca -0.01 0.93 0.20 0.00 -1.51 0.00 0.00 54.79 54.40 1o1k n ASP 99 Cb 0.49 -1.49 0.70 0.00 2.34 0.00 0.00 41.12 43.16 1o1k n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1k h PRO 100 N 9.99 0.00 -0.47 -0.67 0.11 -1.97 -0.39 132.00 138.60 1o1k h PRO 100 Ca -0.49 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.71 1o1k h PRO 100 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1o1k h PRO 100 CO 0.94 0.00 0.32 1.49 -0.21 0.00 0.00 178.00 180.54 1o1k h GLU 101 N 0.00 0.21 -0.32 1.05 4.57 -1.98 -1.08 114.58 117.03 1o1k h GLU 101 Ca 0.19 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1o1k h GLU 101 Cb 1.25 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1o1k h GLU 101 CO -0.00 0.14 0.14 -0.91 -1.18 0.00 0.00 179.01 177.20 1o1k h ASN 102 N 0.22 0.39 -0.38 1.04 2.35 -1.43 -2.00 115.58 115.78 1o1k h ASN 102 Ca 0.22 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1o1k h ASN 102 Cb 0.57 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1o1k h ASN 102 CO -0.04 0.35 0.07 -0.26 -1.65 0.00 0.00 177.43 175.90 1o1k h PHE 103 N 0.45 0.73 -0.29 1.19 0.04 -1.38 -1.49 116.94 116.19 1o1k h PHE 103 Ca 0.11 -0.07 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1o1k h PHE 103 Cb 0.07 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 1o1k h PHE 103 CO 0.00 0.65 -0.37 0.00 -0.60 0.00 0.00 178.31 178.00 1o1k h ARG 104 N 0.68 0.76 -0.81 1.51 3.08 -1.42 -1.02 114.38 117.15 1o1k h ARG 104 Ca 0.15 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1o1k h ARG 104 Cb 0.32 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1o1k h ARG 104 CO 0.00 1.06 0.42 -0.07 -1.07 0.00 0.00 179.97 180.31 1o1k h LEU 105 N 0.51 1.03 -0.82 3.04 3.38 -1.26 -1.72 115.31 119.48 1o1k h LEU 105 Ca 0.04 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1o1k h LEU 105 Cb 0.95 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1o1k h LEU 105 CO 0.09 0.85 -0.38 0.25 0.09 0.00 0.00 178.44 179.34 1o1k h LEU 106 N 1.14 0.44 -0.64 1.67 5.85 -1.18 -1.69 115.31 120.91 1o1k h LEU 106 Ca 0.28 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1o1k h LEU 106 Cb 0.07 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1o1k h LEU 106 CO -0.04 0.79 0.28 1.23 -0.34 0.00 0.00 178.44 180.35 1o1k h GLY 107 N 1.12 1.01 1.52 3.75 0.00 -0.64 0.37 103.07 110.20 1o1k h GLY 107 Ca 0.04 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1o1k h GLY 107 CO 0.07 0.50 -0.55 3.43 0.00 0.00 0.00 176.54 179.99 1o1k h ASN 108 N 0.89 0.55 -0.54 0.19 2.35 -1.10 -2.22 115.58 115.71 1o1k h ASN 108 Ca 0.22 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1o1k h ASN 108 Cb 0.17 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1o1k h ASN 108 CO -0.02 0.99 -0.10 0.58 -1.65 0.00 0.00 177.43 177.23 1o1k h VAL 109 N 0.38 1.27 -0.79 2.81 2.07 -1.10 -1.85 116.25 119.04 1o1k h VAL 109 Ca 0.01 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.33 1o1k h VAL 109 Cb 1.08 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1o1k h VAL 109 CO 0.10 0.45 0.48 0.25 0.02 0.00 0.00 177.57 178.86 1o1k h LEU 110 N 0.92 0.74 -0.72 2.57 5.85 -0.69 -0.52 115.31 123.45 1o1k h LEU 110 Ca 0.14 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1o1k h LEU 110 Cb 0.67 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1o1k h LEU 110 CO 0.05 0.47 0.33 0.58 -0.34 0.00 0.00 178.44 179.53 1o1k h VAL 111 N 0.87 1.24 -0.91 1.05 2.07 -0.98 -1.22 116.25 118.37 1o1k h VAL 111 Ca 0.35 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1o1k h VAL 111 Cb 0.18 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1o1k h VAL 111 CO -0.18 0.29 0.53 0.00 0.02 0.00 0.00 177.57 178.23 1o1k h VAL 113 N 1.26 1.18 -0.92 0.00 2.07 -0.59 -0.38 116.25 118.88 1o1k h VAL 113 Ca 0.32 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1o1k h VAL 113 Cb -0.02 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1o1k h VAL 113 CO -0.06 0.18 0.60 -0.07 0.02 0.00 0.00 177.57 178.25 1o1k h LEU 114 N 0.26 1.05 -0.47 2.57 3.38 -1.02 0.18 115.31 121.26 1o1k h LEU 114 Ca 0.08 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1o1k h LEU 114 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1o1k h LEU 114 CO -0.01 0.77 -0.08 0.00 0.09 0.00 0.00 178.44 179.21 1o1k h ALA 115 N 1.33 0.64 -0.63 1.53 0.00 -1.08 0.10 119.26 121.16 1o1k h ALA 115 Ca 0.33 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1o1k h ALA 115 Cb -0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1o1k h ALA 115 CO -0.07 0.52 0.17 1.25 0.00 0.00 0.00 179.25 181.12 1o1k h HIS 116 N 0.73 1.00 -0.02 0.00 -0.00 -0.59 0.16 115.15 116.42 1o1k h HIS 116 Ca 0.12 -0.10 -0.18 0.00 -0.00 0.00 0.00 60.37 60.22 1o1k h HIS 116 Cb 0.62 -0.29 0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1o1k h HIS 116 CO 0.05 0.81 -0.67 1.25 -0.00 0.00 0.00 177.93 179.37 1o1k h HIS 117 N 0.93 0.72 0.00 5.26 6.17 -0.39 -3.36 115.15 124.48 1o1k h HIS 117 Ca 0.20 -0.37 0.00 0.00 0.71 0.00 0.00 60.37 60.91 1o1k h HIS 117 Cb 0.30 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1o1k h HIS 117 CO 0.02 1.19 -0.86 1.19 0.71 0.00 0.00 177.93 180.18 1o1k n PHE 118 N -4.15 0.04 -1.66 5.26 3.72 0.33 -5.05 117.46 115.95 1o1k n PHE 118 Ca -0.10 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1o1k n PHE 118 Cb 0.70 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1o1k n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1k n GLY 119 N 1.47 3.29 0.26 1.37 0.00 0.04 -2.44 105.19 109.18 1o1k n GLY 119 Ca 0.04 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.05 1o1k n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1k h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.76 116.57 117.55 1o1k h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1o1k h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1o1k h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1o1k h GLU 121 N 0.00 0.00 -3.56 0.07 4.81 -1.87 -3.31 114.58 110.72 1o1k h GLU 121 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1o1k h GLU 121 Cb 0.03 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.22 1o1k h GLU 121 CO 0.00 0.00 1.68 0.34 -0.73 0.00 0.00 179.01 180.30 1o1k n PHE 122 N -2.67 3.15 -1.16 0.92 7.35 -0.29 -4.95 117.46 119.80 1o1k n PHE 122 Ca 0.03 -2.86 -0.30 0.00 -0.76 0.00 0.00 57.45 53.57 1o1k n PHE 122 Cb 0.37 -1.85 0.14 0.00 0.35 0.00 0.00 39.48 38.49 1o1k n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1k s THR 123 N -0.07 2.59 0.24 -2.13 -4.23 -1.25 -4.73 115.64 106.07 1o1k s THR 123 Ca 0.38 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1o1k s THR 123 Cb 0.07 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.46 1o1k s THR 123 CO 0.02 -0.25 1.79 -0.65 -0.54 0.00 0.00 174.62 174.99 1o1k h PRO 124 N -1.62 0.65 -0.43 3.99 0.11 -1.94 -0.25 132.00 132.52 1o1k h PRO 124 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1o1k h PRO 124 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1o1k h PRO 124 CO 0.54 0.43 -0.05 -1.35 -0.21 0.00 0.00 178.00 177.36 1o1k h PRO 125 N 0.67 0.73 -0.59 1.05 0.11 -1.99 -1.33 132.00 130.64 1o1k h PRO 125 Ca 0.39 -0.21 -0.10 0.00 0.11 0.00 0.00 66.00 66.19 1o1k h PRO 125 Cb 0.43 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1o1k h PRO 125 CO -0.28 0.77 -0.04 0.28 -0.21 0.00 0.00 178.00 178.53 1o1k h VAL 126 N 0.67 1.27 -0.12 3.15 2.07 -1.68 -2.38 116.25 119.22 1o1k h VAL 126 Ca 0.13 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1o1k h VAL 126 Cb 0.49 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1o1k h VAL 126 CO 0.03 0.43 0.06 -0.61 0.02 0.00 0.00 177.57 177.49 1o1k h GLN 127 N 0.96 0.18 -0.93 1.57 4.15 -0.76 -2.13 115.11 118.15 1o1k h GLN 127 Ca 0.16 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.68 1o1k h GLN 127 Cb 0.60 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 1o1k h GLN 127 CO 0.04 0.25 0.55 0.00 -1.93 0.00 0.00 178.83 177.74 1o1k h ALA 128 N 0.92 1.40 -0.46 3.38 0.00 -1.11 0.21 119.26 123.60 1o1k h ALA 128 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1o1k h ALA 128 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1o1k h ALA 128 CO -0.00 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.43 1o1k h ALA 129 N 1.53 0.61 -0.03 0.00 0.00 -1.17 -2.45 119.26 117.75 1o1k h ALA 129 Ca 0.48 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1o1k h ALA 129 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1o1k h ALA 129 CO -0.29 0.32 -0.50 1.88 0.00 0.00 0.00 179.25 180.65 1o1k h TYR 130 N 0.62 0.09 -0.39 0.00 0.05 -0.57 -2.38 116.97 114.39 1o1k h TYR 130 Ca 0.14 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 1o1k h TYR 130 Cb 0.36 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1o1k h TYR 130 CO 0.02 0.56 -0.08 1.96 -1.05 0.00 0.00 178.16 179.58 1o1k h GLN 131 N 0.06 0.67 -0.30 4.88 1.08 -0.41 -0.99 115.11 120.11 1o1k h GLN 131 Ca -0.00 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 1o1k h GLN 131 Cb 0.91 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1o1k h GLN 131 CO 0.07 0.74 0.03 0.87 -0.95 0.00 0.00 178.83 179.59 1o1k h LYS 132 N 0.62 0.51 0.46 1.46 1.57 -1.16 -2.22 116.57 117.80 1o1k h LYS 132 Ca 0.11 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1o1k h LYS 132 Cb 0.51 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1o1k h LYS 132 CO 0.03 0.63 -0.26 0.28 -0.57 0.00 0.00 179.45 179.56 1o1k h VAL 133 N 0.32 0.47 -0.48 0.50 2.07 -1.01 0.09 116.25 118.20 1o1k h VAL 133 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1o1k h VAL 133 Cb 0.38 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1o1k h VAL 133 CO 0.01 0.00 0.28 -0.37 0.02 0.00 0.00 177.57 177.51 1o1k h VAL 134 N -0.67 1.14 -0.40 2.57 -1.51 -1.24 0.12 116.25 116.25 1o1k h VAL 134 Ca -0.06 -0.32 -0.13 0.00 -1.23 0.00 0.00 66.70 64.96 1o1k h VAL 134 Cb 0.54 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1o1k h VAL 134 CO 0.07 0.15 -0.27 0.00 -1.23 0.00 0.00 177.57 176.29 1o1k h ALA 135 N 1.65 0.77 -0.63 5.19 0.00 -1.21 -0.79 119.26 124.23 1o1k h ALA 135 Ca 0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1o1k h ALA 135 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1o1k h ALA 135 CO -0.03 0.66 0.09 0.78 0.00 0.00 0.00 179.25 180.74 1o1k h GLY 136 N 0.92 1.14 1.03 0.00 0.00 0.45 -1.49 103.07 105.12 1o1k h GLY 136 Ca 0.09 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1o1k h GLY 136 CO 0.07 0.72 -0.18 -2.08 0.00 0.00 0.00 176.54 175.07 1o1k h VAL 137 N 0.97 1.28 -0.82 4.60 2.07 -0.70 -1.22 116.25 122.43 1o1k h VAL 137 Ca 0.19 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1o1k h VAL 137 Cb 0.46 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1o1k h VAL 137 CO 0.02 0.44 0.38 0.00 0.02 0.00 0.00 177.57 178.43 1o1k h ALA 138 N 0.83 1.12 -0.23 1.67 0.00 -1.00 -0.53 119.26 121.12 1o1k h ALA 138 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1o1k h ALA 138 Cb 0.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1o1k h ALA 138 CO 0.06 0.65 -0.52 -0.91 0.00 0.00 0.00 179.25 178.53 1o1k h ASN 139 N 1.17 0.72 -0.39 0.00 2.35 -1.15 -2.35 115.58 115.93 1o1k h ASN 139 Ca 0.28 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1o1k h ASN 139 Cb 0.14 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1o1k h ASN 139 CO -0.03 1.11 0.06 0.00 -1.65 0.00 0.00 177.43 176.91 1o1k h ALA 140 N 0.91 1.23 0.00 -0.83 0.00 -0.80 -1.43 119.26 118.34 1o1k h ALA 140 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1o1k h ALA 140 Cb 1.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1o1k h ALA 140 CO 0.10 0.52 -0.20 -0.07 0.00 0.00 0.00 179.25 179.60 1o1k h LEU 141 N 0.70 0.00 -0.12 0.00 3.38 -0.94 -3.10 115.31 115.23 1o1k h LEU 141 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1o1k h LEU 141 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1o1k h LEU 141 CO 0.01 0.20 -0.73 0.00 0.09 0.00 0.00 178.44 178.01 1o1k n ALA 142 N -2.18 4.13 -0.34 1.53 0.00 -0.90 -4.46 120.51 118.30 1o1k n ALA 142 Ca 0.01 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.08 1o1k n ALA 142 Cb 0.50 -0.92 0.34 0.00 0.00 0.00 0.00 19.45 19.37 1o1k n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1k h HIS 143 N 0.30 1.00 -0.54 0.00 6.17 -1.19 -2.35 115.15 118.54 1o1k h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1o1k h HIS 143 Cb 0.52 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1o1k h HIS 143 CO 0.00 0.27 0.00 1.63 0.71 0.00 0.00 177.93 180.54 1o1k n LYS 144 N -4.69 4.03 -2.47 5.26 4.76 -1.26 -4.94 118.16 118.85 1o1k n LYS 144 Ca 0.22 -2.69 -0.40 0.00 -2.87 0.00 0.00 58.31 52.56 1o1k n LYS 144 Cb 0.54 -2.04 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 1o1k n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1k s TYR 145 N -2.24 3.58 0.00 2.13 1.51 -0.89 -4.76 117.35 116.67 1o1k s TYR 145 Ca 0.47 1.69 0.00 0.00 -1.01 0.00 0.00 57.07 58.22 1o1k s TYR 145 Cb 0.34 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 1o1k s TYR 145 CO 0.18 -0.57 0.00 -2.39 -1.11 0.00 0.00 175.55 171.65