#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d17 n HIS 2 N 0.00 0.00 -3.87 3.52 8.25 -1.26 -4.79 115.22 117.07 3d17 n HIS 2 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3d17 n HIS 2 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 3d17 n HIS 2 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d17 s LEU 3 N 0.00 1.31 1.35 2.41 1.43 -1.26 -4.99 118.68 118.94 3d17 s LEU 3 Ca 0.00 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 3d17 s LEU 3 Cb 0.00 -0.81 0.33 0.00 0.03 0.00 0.00 46.19 45.75 3d17 s LEU 3 CO 0.00 -0.17 0.81 0.35 0.23 0.00 0.00 176.35 177.56 3d17 n THR 4 N 4.94 0.00 -0.22 5.49 -2.24 -1.26 -4.50 114.28 116.49 3d17 n THR 4 Ca -0.11 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.48 3d17 n THR 4 Cb 0.49 -0.92 0.05 0.00 -2.10 0.00 0.00 70.33 67.84 3d17 n THR 4 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3d17 h PRO 5 N -3.29 0.79 0.00 -0.78 0.11 -2.00 -1.34 132.00 125.48 3d17 h PRO 5 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3d17 h PRO 5 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d17 h PRO 5 CO 0.29 0.52 -0.23 -0.85 -0.21 0.00 0.00 178.00 177.53 3d17 n GLU 6 N -4.67 0.25 0.02 1.05 0.00 -1.26 -3.16 120.64 112.87 3d17 n GLU 6 Ca 0.05 0.15 -0.18 0.00 0.00 0.00 0.00 57.16 57.18 3d17 n GLU 6 Cb 0.04 -1.74 -0.11 0.00 0.00 0.00 0.00 31.44 29.63 3d17 n GLU 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3d17 h GLU 7 N 0.00 0.52 -0.83 3.44 4.81 -1.75 -3.07 114.58 117.70 3d17 h GLU 7 Ca 0.00 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 3d17 h GLU 7 Cb 0.72 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 3d17 h GLU 7 CO 0.00 1.19 0.48 0.87 -0.73 0.00 0.00 179.01 180.82 3d17 h LYS 8 N 0.09 1.15 0.69 1.92 1.79 -1.32 -2.45 116.57 118.43 3d17 h LYS 8 Ca -0.10 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.22 3d17 h LYS 8 Cb 1.46 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.88 3d17 h LYS 8 CO 0.15 0.82 -0.33 0.77 -1.08 0.00 0.00 179.45 179.78 3d17 h SER 9 N 1.15 -0.78 -0.59 0.86 0.02 -1.59 -1.47 113.55 111.15 3d17 h SER 9 Ca 0.30 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 3d17 h SER 9 Cb -0.01 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 62.62 3d17 h SER 9 CO -0.05 -0.53 -0.17 0.00 -1.14 0.00 0.00 176.83 174.94 3d17 h ALA 10 N -0.67 0.35 0.02 3.77 0.00 -1.45 0.24 119.26 121.51 3d17 h ALA 10 Ca -0.09 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3d17 h ALA 10 Cb 0.72 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3d17 h ALA 10 CO 0.15 -0.46 -0.02 0.28 0.00 0.00 0.00 179.25 179.21 3d17 h VAL 11 N -0.02 0.00 0.00 0.00 2.07 -1.30 -0.12 116.25 116.88 3d17 h VAL 11 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3d17 h VAL 11 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3d17 h VAL 11 CO -0.62 0.00 0.00 0.71 0.02 0.00 0.00 177.57 177.68 3d17 h THR 12 N -0.04 0.00 0.18 2.57 1.35 -1.17 0.28 112.91 116.08 3d17 h THR 12 Ca -0.00 -0.04 -0.32 0.00 -0.55 0.00 0.00 66.41 65.50 3d17 h THR 12 Cb 0.03 0.63 0.01 0.00 -1.73 0.00 0.00 68.15 67.09 3d17 h THR 12 CO 0.00 0.00 -1.57 0.00 -0.25 0.00 0.00 175.52 173.70 3d17 h ALA 13 N 2.03 0.10 0.05 6.62 0.00 -0.38 -3.16 119.26 124.52 3d17 h ALA 13 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 54.91 53.85 3d17 h ALA 13 Cb 0.05 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d17 h ALA 13 CO 0.00 0.89 -0.02 -0.07 0.00 0.00 0.00 179.25 180.04 3d17 h LEU 14 N -0.02 -0.06 -2.04 0.00 -0.00 0.05 -2.32 115.31 110.92 3d17 h LEU 14 Ca -0.31 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 3d17 h LEU 14 Cb 2.00 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 3d17 h LEU 14 CO 0.16 0.20 0.20 -0.25 -0.00 0.00 0.00 178.44 178.75 3d17 h TRP 15 N -0.32 0.00 -0.10 1.13 2.91 -0.62 -0.02 115.95 118.92 3d17 h TRP 15 Ca -0.01 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 3d17 h TRP 15 Cb 0.29 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 3d17 h TRP 15 CO 0.01 0.00 -0.04 0.78 -1.03 0.00 0.00 178.44 178.16 3d17 h GLY 16 N 0.00 0.22 -0.14 2.65 0.00 -1.38 -3.01 103.07 101.41 3d17 h GLY 16 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3d17 h GLY 16 CO 0.00 0.17 0.00 0.28 0.00 0.00 0.00 176.54 176.99 3d17 n LYS 17 N -4.75 0.91 -3.02 4.80 5.02 -0.03 -4.82 118.16 116.29 3d17 n LYS 17 Ca -0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 3d17 n LYS 17 Cb 0.26 -1.06 -0.06 0.00 -0.02 0.00 0.00 35.03 34.15 3d17 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d17 s VAL 18 N -1.86 4.84 -0.80 -0.18 1.01 -1.14 -4.94 120.40 117.33 3d17 s VAL 18 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 3d17 s VAL 18 Cb 0.00 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 3d17 s VAL 18 CO 0.00 -0.23 2.41 -3.20 0.00 0.00 0.00 175.10 174.08 3d17 n ASN 19 N 6.10 1.78 0.00 3.32 4.05 -1.26 -4.75 115.26 124.50 3d17 n ASN 19 Ca 0.02 -1.52 0.00 0.00 0.45 0.00 0.00 54.58 53.52 3d17 n ASN 19 Cb 0.48 -1.66 0.00 0.00 1.23 0.00 0.00 39.78 39.83 3d17 n ASN 19 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3d17 n VAL 20 N 8.81 0.00 -0.00 3.44 0.24 -1.26 -0.01 118.33 129.54 3d17 n VAL 20 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.77 3d17 n VAL 20 Cb 0.43 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 31.99 3d17 n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3d17 n ASP 21 N -0.62 4.81 0.00 -1.34 10.43 -1.26 -4.75 116.55 123.83 3d17 n ASP 21 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3d17 n ASP 21 Cb 0.00 0.85 0.00 0.00 1.84 0.00 0.00 41.12 43.81 3d17 n ASP 21 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3d17 n GLU 22 N -1.71 0.00 -0.25 -1.24 4.71 0.98 -4.34 120.64 118.79 3d17 n GLU 22 Ca -0.01 0.13 -0.07 0.00 -0.01 0.00 0.00 57.16 57.21 3d17 n GLU 22 Cb 0.21 -0.56 -0.06 0.00 -1.01 0.00 0.00 31.44 30.02 3d17 n GLU 22 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3d17 n VAL 23 N -1.20 -0.41 -0.04 2.62 0.31 -1.13 -1.60 118.33 116.89 3d17 n VAL 23 Ca 0.00 1.56 -0.01 0.00 -0.01 0.00 0.00 64.34 65.88 3d17 n VAL 23 Cb 0.00 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 30.98 3d17 n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d17 n GLY 24 N -1.15 -1.51 0.18 2.92 0.00 -1.26 -0.72 105.19 103.66 3d17 n GLY 24 Ca 0.01 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.42 3d17 n GLY 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d17 h GLY 25 N 0.00 0.00 2.00 -0.02 0.00 -1.34 -2.99 103.07 100.72 3d17 h GLY 25 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 3d17 h GLY 25 CO -0.09 0.00 -0.36 -2.09 0.00 0.00 0.00 176.54 174.00 3d17 h GLU 26 N 0.00 0.00 0.04 4.80 4.81 -0.43 0.30 114.58 124.10 3d17 h GLU 26 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 3d17 h GLU 26 Cb 0.85 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.24 3d17 h GLU 26 CO 0.05 0.36 -0.66 0.00 -0.73 0.00 0.00 179.01 178.04 3d17 h ALA 27 N 1.64 0.02 0.00 2.92 0.00 -1.20 -1.59 119.26 121.05 3d17 h ALA 27 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 3d17 h ALA 27 Cb 0.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3d17 h ALA 27 CO 0.05 0.35 -0.44 1.25 0.00 0.00 0.00 179.25 180.46 3d17 h LEU 28 N -0.19 0.00 -0.01 0.00 5.85 -1.38 0.04 115.31 119.63 3d17 h LEU 28 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3d17 h LEU 28 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3d17 h LEU 28 CO 0.13 0.44 -0.02 1.23 -0.34 0.00 0.00 178.44 179.88 3d17 h GLY 29 N 1.32 0.02 1.91 3.75 0.00 -0.43 -2.27 103.07 107.37 3d17 h GLY 29 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3d17 h GLY 29 CO 0.06 0.03 -0.05 3.21 0.00 0.00 0.00 176.54 179.78 3d17 h ARG 30 N -0.60 0.12 -0.05 4.80 3.08 -1.18 0.41 114.38 120.95 3d17 h ARG 30 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3d17 h ARG 30 Cb 0.65 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3d17 h ARG 30 CO 0.00 0.18 0.01 1.25 -1.07 0.00 0.00 179.97 180.34 3d17 h LEU 31 N 0.12 0.09 -1.55 3.04 7.12 -0.98 0.38 115.31 123.53 3d17 h LEU 31 Ca 0.03 -0.27 -0.02 0.00 0.13 0.00 0.00 57.88 57.75 3d17 h LEU 31 Cb 0.18 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 3d17 h LEU 31 CO 0.01 0.33 0.08 -0.07 -0.13 0.00 0.00 178.44 178.67 3d17 h LEU 32 N -0.16 0.34 0.17 2.25 3.38 -0.73 -1.69 115.31 118.86 3d17 h LEU 32 Ca 0.02 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3d17 h LEU 32 Cb 0.28 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3d17 h LEU 32 CO 0.00 0.33 -1.58 0.58 0.09 0.00 0.00 178.44 177.86 3d17 h VAL 33 N 0.38 1.12 0.19 1.22 2.07 -0.67 -3.32 116.25 117.25 3d17 h VAL 33 Ca 0.09 -2.70 -0.34 0.00 0.82 0.00 0.00 66.70 64.57 3d17 h VAL 33 Cb 0.12 2.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3d17 h VAL 33 CO -0.01 0.84 -1.67 0.58 0.02 0.00 0.00 177.57 177.33 3d17 h VAL 34 N 0.10 1.04 -2.48 2.57 2.07 -0.15 -3.38 116.25 116.00 3d17 h VAL 34 Ca -0.27 -2.60 -0.64 0.00 0.82 0.00 0.00 66.70 64.01 3d17 h VAL 34 Cb 2.07 2.81 -0.40 0.00 -1.52 0.00 0.00 31.29 34.26 3d17 h VAL 34 CO 0.19 0.84 -0.38 -1.22 0.02 0.00 0.00 177.57 177.02 3d17 n TYR 35 N -3.59 3.47 -0.33 1.57 4.01 -0.65 -4.97 117.16 116.68 3d17 n TYR 35 Ca -0.22 -3.98 0.25 0.00 -0.16 0.00 0.00 57.90 53.79 3d17 n TYR 35 Cb 1.08 -0.70 0.47 0.00 -0.31 0.00 0.00 39.34 39.88 3d17 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3d17 n PRO 36 N 1.15 -0.07 0.27 -0.72 -0.04 -1.25 -1.31 135.00 133.03 3d17 n PRO 36 Ca 0.28 1.41 0.11 0.00 -0.04 0.00 0.00 63.50 65.26 3d17 n PRO 36 Cb 0.39 -2.42 0.61 0.00 -0.04 0.00 0.00 33.50 32.04 3d17 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3d17 h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.93 0.54 115.95 115.19 3d17 h TRP 37 Ca 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.72 3d17 h TRP 37 Cb 1.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 31.07 3d17 h TRP 37 CO -0.21 0.00 -0.04 1.79 0.09 0.00 0.00 178.44 180.07 3d17 h THR 38 N 0.00 0.11 -0.04 0.12 1.35 -1.53 -2.93 112.91 109.99 3d17 h THR 38 Ca 0.00 -0.69 0.01 0.00 -0.55 0.00 0.00 66.41 65.18 3d17 h THR 38 Cb 0.67 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3d17 h THR 38 CO 0.00 0.04 0.03 1.56 -0.25 0.00 0.00 175.52 176.90 3d17 h GLN 39 N 0.00 0.01 -0.98 4.72 4.20 -0.11 -2.34 115.11 120.61 3d17 h GLN 39 Ca -0.00 -0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.01 3d17 h GLN 39 Cb 0.62 -0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.25 3d17 h GLN 39 CO 0.01 0.01 0.51 -0.09 -0.67 0.00 0.00 178.83 178.60 3d17 h ARG 40 N 0.01 0.32 0.00 1.46 2.43 -1.69 0.30 114.38 117.21 3d17 h ARG 40 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3d17 h ARG 40 Cb 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3d17 h ARG 40 CO -0.00 0.21 0.00 0.74 -1.51 0.00 0.00 179.97 179.41 3d17 h PHE 41 N 0.33 0.00 -1.32 2.20 -1.00 -1.66 -3.33 116.94 112.15 3d17 h PHE 41 Ca 0.69 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.90 3d17 h PHE 41 Cb 1.53 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 40.67 3d17 h PHE 41 CO -0.05 0.00 -0.76 1.19 -1.61 0.00 0.00 178.31 177.07 3d17 n PHE 42 N -2.36 3.21 0.22 -0.55 3.01 0.11 -4.79 117.46 116.31 3d17 n PHE 42 Ca 0.05 -2.90 0.12 0.00 1.01 0.00 0.00 57.45 55.73 3d17 n PHE 42 Cb 0.41 -0.15 0.21 0.00 -0.01 0.00 0.00 39.48 39.94 3d17 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3d17 h GLU 43 N 2.49 0.00 0.00 -1.08 4.39 -1.66 -3.02 114.58 115.70 3d17 h GLU 43 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3d17 h GLU 43 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3d17 h GLU 43 CO 0.82 0.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.59 3d17 n SER 44 N -3.12 0.00 0.10 1.42 3.41 -1.26 -3.03 113.62 111.14 3d17 n SER 44 Ca 0.03 -1.33 0.12 0.00 -0.26 0.00 0.00 58.87 57.43 3d17 n SER 44 Cb 0.53 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3d17 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3d17 h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.92 -3.51 116.94 118.89 3d17 h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3d17 h PHE 45 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 3d17 h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 3d17 n GLY 46 N 1.21 0.26 3.63 -1.45 0.00 -1.17 -4.85 105.19 102.83 3d17 n GLY 46 Ca 0.01 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3d17 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d17 s ASP 47 N -4.00 6.85 -0.17 1.61 3.68 -1.26 -4.89 116.67 118.49 3d17 s ASP 47 Ca 0.00 0.97 0.15 0.00 2.13 0.00 0.00 52.55 55.80 3d17 s ASP 47 Cb 0.00 -2.48 0.37 0.00 -1.45 0.00 0.00 42.92 39.36 3d17 s ASP 47 CO 0.00 -0.70 1.22 0.18 0.13 0.00 0.00 175.17 176.00 3d17 n LEU 48 N 6.41 2.72 0.10 -1.34 4.77 -1.26 -4.42 117.00 123.98 3d17 n LEU 48 Ca 0.08 -3.44 0.12 0.00 -0.03 0.00 0.00 56.01 52.74 3d17 n LEU 48 Cb 0.47 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 41.53 3d17 n LEU 48 CO 0.53 1.01 0.86 -1.54 -1.33 0.00 0.00 177.39 176.92 3d17 n SER 49 N -1.24 0.63 -4.11 -1.43 3.41 -1.26 -4.70 113.62 104.92 3d17 n SER 49 Ca 0.19 0.61 -0.24 0.00 -0.26 0.00 0.00 58.87 59.17 3d17 n SER 49 Cb 0.70 -0.76 -0.16 0.00 -0.26 0.00 0.00 64.21 63.74 3d17 n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3d17 s THR 50 N -3.20 1.23 0.20 6.66 -4.23 -1.26 -5.03 115.64 110.02 3d17 s THR 50 Ca 0.07 -0.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.79 3d17 s THR 50 Cb 0.11 -1.05 0.20 0.00 1.34 0.00 0.00 72.50 73.10 3d17 s THR 50 CO 0.46 0.36 1.61 -0.65 -0.54 0.00 0.00 174.62 175.86 3d17 h PRO 51 N 6.05 -0.06 -0.59 3.99 0.11 -1.98 0.34 132.00 139.86 3d17 h PRO 51 Ca -0.34 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.87 3d17 h PRO 51 Cb 1.16 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3d17 h PRO 51 CO 0.48 -0.04 0.19 -0.44 -0.21 0.00 0.00 178.00 177.98 3d17 h ASP 52 N -0.06 0.15 0.28 -2.05 3.32 -1.97 0.25 116.42 116.34 3d17 h ASP 52 Ca 0.28 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 3d17 h ASP 52 Cb 0.50 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3d17 h ASP 52 CO -0.65 0.09 -0.22 0.00 -1.72 0.00 0.00 179.24 176.74 3d17 h ALA 53 N 1.43 1.51 0.17 3.45 0.00 -1.39 -1.62 119.26 122.82 3d17 h ALA 53 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d17 h ALA 53 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3d17 h ALA 53 CO -0.33 0.28 -0.08 0.28 0.00 0.00 0.00 179.25 179.39 3d17 h VAL 54 N 0.00 0.16 -0.53 0.00 2.07 0.98 -2.84 116.25 116.09 3d17 h VAL 54 Ca -0.00 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.68 3d17 h VAL 54 Cb 0.42 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3d17 h VAL 54 CO 0.03 0.05 0.16 0.24 0.02 0.00 0.00 177.57 178.07 3d17 h MET 55 N -1.04 0.32 0.00 1.57 2.07 -0.61 -2.18 114.93 115.05 3d17 h MET 55 Ca -0.02 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3d17 h MET 55 Cb 0.26 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 3d17 h MET 55 CO 0.04 0.21 0.00 0.78 1.07 0.00 0.00 176.91 179.01 3d17 h GLY 56 N 0.33 0.00 -6.16 8.32 0.00 -1.44 -3.45 103.07 100.66 3d17 h GLY 56 Ca 0.26 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.86 3d17 h GLY 56 CO -0.29 0.00 0.79 -2.01 0.00 0.00 0.00 176.54 175.03 3d17 n ASN 57 N -2.84 2.16 -0.32 0.19 2.85 -0.82 -4.85 115.26 111.63 3d17 n ASN 57 Ca 0.03 1.09 0.11 0.00 -0.11 0.00 0.00 54.58 55.70 3d17 n ASN 57 Cb 0.38 -1.14 0.33 0.00 1.24 0.00 0.00 39.78 40.59 3d17 n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3d17 h PRO 58 N 6.53 0.77 -0.11 1.20 0.11 -1.89 -2.57 132.00 136.04 3d17 h PRO 58 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3d17 h PRO 58 Cb 1.33 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3d17 h PRO 58 CO 0.92 0.51 -0.07 0.87 -0.21 0.00 0.00 178.00 180.02 3d17 h LYS 59 N 0.79 0.23 -0.33 1.05 1.79 -1.88 -1.62 116.57 116.60 3d17 h LYS 59 Ca 0.50 -0.11 0.10 0.00 -2.18 0.00 0.00 60.65 58.95 3d17 h LYS 59 Cb 0.72 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 3d17 h LYS 59 CO -0.26 0.61 0.29 0.28 -1.08 0.00 0.00 179.45 179.28 3d17 h VAL 60 N -0.14 0.61 0.09 0.50 2.07 -1.78 0.44 116.25 118.03 3d17 h VAL 60 Ca 0.02 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.23 3d17 h VAL 60 Cb 0.54 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3d17 h VAL 60 CO 0.02 0.00 -1.69 0.11 0.02 0.00 0.00 177.57 176.02 3d17 h LYS 61 N 0.00 0.18 -0.29 1.57 1.57 -1.39 -2.32 116.57 115.89 3d17 h LYS 61 Ca 0.16 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3d17 h LYS 61 Cb 0.73 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3d17 h LYS 61 CO -0.00 0.97 0.09 0.00 -0.57 0.00 0.00 179.45 179.94 3d17 h ALA 62 N 0.53 0.38 0.00 3.86 0.00 -0.11 -2.66 119.26 121.26 3d17 h ALA 62 Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3d17 h ALA 62 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3d17 h ALA 62 CO 0.12 0.01 -0.40 0.72 0.00 0.00 0.00 179.25 179.69 3d17 n HIS 63 N -4.71 0.28 -0.03 0.00 8.25 -0.02 -3.51 115.22 115.48 3d17 n HIS 63 Ca -0.02 0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 3d17 n HIS 63 Cb 0.16 -0.50 0.04 0.00 1.12 0.00 0.00 29.99 30.81 3d17 n HIS 63 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3d17 h GLY 64 N 4.79 0.74 1.93 -1.41 0.00 -1.09 -2.07 103.07 105.96 3d17 h GLY 64 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 3d17 h GLY 64 CO 0.00 0.73 -0.35 0.50 0.00 0.00 0.00 176.54 177.42 3d17 h LYS 65 N 0.54 0.00 -0.53 4.80 1.57 -1.57 -2.36 116.57 119.02 3d17 h LYS 65 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3d17 h LYS 65 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3d17 h LYS 65 CO 0.10 0.28 0.06 -0.22 -0.57 0.00 0.00 179.45 179.09 3d17 h LYS 66 N 0.00 0.89 0.10 3.15 1.63 -1.53 -1.08 116.57 119.73 3d17 h LYS 66 Ca -0.01 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.53 3d17 h LYS 66 Cb 1.23 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3d17 h LYS 66 CO 0.04 0.88 -0.05 0.28 -3.45 0.00 0.00 179.45 177.15 3d17 h VAL 67 N 0.77 1.13 0.00 2.00 2.07 -1.33 -2.76 116.25 118.13 3d17 h VAL 67 Ca 0.16 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3d17 h VAL 67 Cb 0.45 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3d17 h VAL 67 CO 0.02 0.25 0.27 0.25 0.02 0.00 0.00 177.57 178.38 3d17 h LEU 68 N -0.65 0.00 0.01 2.57 5.85 -1.33 0.82 115.31 122.59 3d17 h LEU 68 Ca -0.01 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.46 3d17 h LEU 68 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3d17 h LEU 68 CO 0.02 0.00 -1.10 1.23 -0.34 0.00 0.00 178.44 178.25 3d17 h GLY 69 N 0.00 0.22 2.00 3.75 0.00 -0.91 -2.58 103.07 105.54 3d17 h GLY 69 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 3d17 h GLY 69 CO 0.00 0.45 -0.50 0.00 0.00 0.00 0.00 176.54 176.49 3d17 h ALA 70 N 0.77 0.93 -0.03 3.60 0.00 0.84 0.34 119.26 125.70 3d17 h ALA 70 Ca -0.08 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 3d17 h ALA 70 Cb 1.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3d17 h ALA 70 CO 0.17 0.63 -0.79 0.74 0.00 0.00 0.00 179.25 180.00 3d17 h PHE 71 N 0.00 0.39 -0.25 0.00 -1.00 -1.30 -2.63 116.94 112.16 3d17 h PHE 71 Ca -0.01 -0.19 -0.20 0.00 2.81 0.00 0.00 57.97 60.39 3d17 h PHE 71 Cb 1.05 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.56 3d17 h PHE 71 CO 0.00 0.96 -0.62 0.77 -1.61 0.00 0.00 178.31 177.81 3d17 h SER 72 N 0.18 0.97 0.12 2.17 0.02 -1.20 -1.90 113.55 113.91 3d17 h SER 72 Ca -0.04 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3d17 h SER 72 Cb 1.38 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3d17 h SER 72 CO 0.13 1.36 0.00 -0.67 -1.14 0.00 0.00 176.83 176.50 3d17 n ASP 73 N -3.98 0.00 -0.07 3.07 4.64 0.09 -1.70 116.55 118.59 3d17 n ASP 73 Ca -0.05 0.42 -0.21 0.00 -1.38 0.00 0.00 54.79 53.56 3d17 n ASP 73 Cb 0.67 -0.44 -0.13 0.00 -1.04 0.00 0.00 41.12 40.18 3d17 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3d17 n GLY 74 N -1.03 -0.53 0.00 0.27 0.00 -0.75 -3.67 105.19 99.48 3d17 n GLY 74 Ca 0.01 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.90 3d17 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d17 n LEU 75 N -3.65 0.00 -0.06 0.99 4.77 -0.69 -0.50 117.00 117.86 3d17 n LEU 75 Ca -0.39 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.60 3d17 n LEU 75 Cb 0.96 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.05 3d17 n LEU 75 CO 0.30 0.00 0.31 0.00 -1.33 0.00 0.00 177.39 176.66 3d17 n ALA 76 N -0.73 2.43 -2.38 -1.18 0.00 -1.09 -4.60 120.51 112.96 3d17 n ALA 76 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3d17 n ALA 76 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 3d17 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d17 n HIS 77 N 0.02 0.02 -0.38 0.00 8.25 0.34 -4.95 115.22 118.52 3d17 n HIS 77 Ca 0.01 -0.63 0.38 0.00 -0.26 0.00 0.00 57.72 57.22 3d17 n HIS 77 Cb 0.07 0.09 0.71 0.00 1.12 0.00 0.00 29.99 31.98 3d17 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3d17 h LEU 78 N 0.80 0.00 0.05 2.41 -0.00 -1.19 0.25 115.31 117.63 3d17 h LEU 78 Ca -0.33 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.29 3d17 h LEU 78 Cb 1.70 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.34 3d17 h LEU 78 CO -0.02 0.00 -1.32 0.44 -0.00 0.00 0.00 178.44 177.54 3d17 h ASP 79 N 0.00 0.17 -2.15 -0.43 3.32 -1.92 0.69 116.42 116.10 3d17 h ASP 79 Ca 0.63 -0.21 -0.54 0.00 0.02 0.00 0.00 57.03 56.93 3d17 h ASP 79 Cb 2.77 -0.05 -0.41 0.00 0.22 0.00 0.00 39.33 41.86 3d17 h ASP 79 CO -0.01 1.18 -0.91 -3.20 -1.72 0.00 0.00 179.24 174.58 3d17 n ASN 80 N -3.34 2.68 0.28 6.45 5.15 0.86 -4.52 115.26 122.82 3d17 n ASN 80 Ca -0.09 -3.35 0.18 0.00 -0.60 0.00 0.00 54.58 50.72 3d17 n ASN 80 Cb 1.00 -0.59 0.71 0.00 -0.53 0.00 0.00 39.78 40.37 3d17 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3d17 h LEU 81 N 3.02 0.00 -0.71 1.20 3.38 -1.71 -2.55 115.31 117.93 3d17 h LEU 81 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3d17 h LEU 81 Cb 0.73 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 3d17 h LEU 81 CO 0.66 0.00 -0.55 0.50 0.09 0.00 0.00 178.44 179.14 3d17 h LYS 82 N 0.00 -0.18 0.01 1.13 3.64 -1.88 -2.78 116.57 116.51 3d17 h LYS 82 Ca 0.00 0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.08 3d17 h LYS 82 Cb 0.48 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 3d17 h LYS 82 CO 0.00 -0.12 -1.86 0.41 -2.27 0.00 0.00 179.45 175.61 3d17 n GLY 83 N -1.33 -0.97 0.30 5.01 0.00 -1.15 -3.85 105.19 103.19 3d17 n GLY 83 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3d17 n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3d17 h THR 84 N 0.00 0.53 -0.58 2.61 2.02 -1.30 0.16 112.91 116.36 3d17 h THR 84 Ca -0.34 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3d17 h THR 84 Cb 2.06 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3d17 h THR 84 CO 0.07 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.52 3d17 n PHE 85 N -5.06 2.02 0.02 3.16 3.01 -1.06 -4.71 117.46 114.84 3d17 n PHE 85 Ca 0.18 -0.72 -0.01 0.00 1.01 0.00 0.00 57.45 57.91 3d17 n PHE 85 Cb 0.55 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 3d17 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d17 h ALA 86 N 4.00 -0.74 -1.00 4.37 0.00 -1.06 0.18 119.26 125.01 3d17 h ALA 86 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3d17 h ALA 86 Cb 1.93 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 19.98 3d17 h ALA 86 CO 0.47 -0.74 0.66 1.79 0.00 0.00 0.00 179.25 181.42 3d17 h THR 87 N -0.06 1.17 -0.03 0.00 1.35 -1.84 0.37 112.91 113.87 3d17 h THR 87 Ca -0.00 -0.43 0.01 0.00 -0.55 0.00 0.00 66.41 65.43 3d17 h THR 87 Cb 0.05 -0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.27 3d17 h THR 87 CO -0.01 0.23 0.12 -0.07 -0.25 0.00 0.00 175.52 175.55 3d17 h LEU 88 N 1.26 0.00 0.03 3.87 3.38 -1.80 -0.76 115.31 121.29 3d17 h LEU 88 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 3d17 h LEU 88 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3d17 h LEU 88 CO -0.13 0.00 -0.21 -1.28 0.09 0.00 0.00 178.44 176.91 3d17 h SER 89 N 0.00 0.14 -0.25 -0.43 0.87 0.29 -2.99 113.55 111.18 3d17 h SER 89 Ca 0.01 -0.92 -0.00 0.00 -1.23 0.00 0.00 61.79 59.65 3d17 h SER 89 Cb 0.26 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3d17 h SER 89 CO -0.00 1.04 0.15 -0.33 -0.53 0.00 0.00 176.83 177.16 3d17 h GLU 90 N -0.74 0.36 0.80 2.24 5.08 -0.79 1.13 114.58 122.66 3d17 h GLU 90 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3d17 h GLU 90 Cb 1.10 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.28 3d17 h GLU 90 CO 0.04 0.26 -0.39 1.25 -1.00 0.00 0.00 179.01 179.18 3d17 h LEU 91 N 0.36 -0.91 -1.05 1.33 6.46 -1.28 0.27 115.31 120.49 3d17 h LEU 91 Ca 0.10 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 3d17 h LEU 91 Cb 0.00 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 3d17 h LEU 91 CO -0.02 -0.60 -0.25 0.45 -0.62 0.00 0.00 178.44 177.40 3d17 h HIS 92 N -1.18 0.42 0.00 1.25 3.86 -1.28 0.75 115.15 118.96 3d17 h HIS 92 Ca -0.11 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 58.93 3d17 h HIS 92 Cb 0.83 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 3d17 h HIS 92 CO 0.02 0.60 -0.87 0.00 0.86 0.00 0.00 177.93 178.54 3d17 h ASP 94 N -1.00 0.31 0.00 0.00 3.45 -0.75 -3.21 116.42 115.21 3d17 h ASP 94 Ca -0.14 -0.29 -0.05 0.00 0.43 0.00 0.00 57.03 56.98 3d17 h ASP 94 Cb 0.83 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 3d17 h ASP 94 CO -0.08 1.15 -1.13 1.17 -1.57 0.00 0.00 179.24 178.78 3d17 n LYS 95 N -3.57 0.53 0.20 3.56 0.00 0.44 -4.68 118.16 114.64 3d17 n LYS 95 Ca -0.05 0.24 0.10 0.00 0.00 0.00 0.00 58.31 58.60 3d17 n LYS 95 Cb 0.91 -1.46 0.17 0.00 0.00 0.00 0.00 35.03 34.65 3d17 n LYS 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3d17 h LEU 96 N -1.00 0.00 -1.01 3.14 3.38 0.35 -3.48 115.31 116.69 3d17 h LEU 96 Ca -0.08 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.47 3d17 h LEU 96 Cb 1.03 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.87 3d17 h LEU 96 CO -0.05 0.15 -0.72 1.41 0.09 0.00 0.00 178.44 179.32 3d17 n HIS 97 N -3.14 -2.60 -2.54 1.13 8.25 0.12 -4.95 115.22 111.48 3d17 n HIS 97 Ca 0.03 0.97 -0.42 0.00 -0.26 0.00 0.00 57.72 58.04 3d17 n HIS 97 Cb 0.57 -4.69 -0.03 0.00 1.12 0.00 0.00 29.99 26.96 3d17 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d17 s VAL 98 N -3.34 4.31 0.14 1.59 1.01 0.88 -4.98 120.40 120.02 3d17 s VAL 98 Ca 0.53 1.70 -0.31 0.00 0.00 0.00 0.00 61.98 63.90 3d17 s VAL 98 Cb -0.25 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 3d17 s VAL 98 CO 0.77 0.16 1.46 -0.62 0.00 0.00 0.00 175.10 176.86 3d17 s ASP 99 N 0.87 6.73 0.49 3.32 2.15 -1.26 -4.71 116.67 124.25 3d17 s ASP 99 Ca 0.55 2.45 0.35 0.00 0.43 0.00 0.00 52.55 56.33 3d17 s ASP 99 Cb -0.26 -2.59 1.50 0.00 -0.30 0.00 0.00 42.92 41.26 3d17 s ASP 99 CO 0.29 -0.72 1.68 -0.65 -0.17 0.00 0.00 175.17 175.60 3d17 h PRO 100 N 6.77 0.08 -0.55 4.34 0.11 -1.96 -1.73 132.00 139.06 3d17 h PRO 100 Ca -0.42 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.77 3d17 h PRO 100 Cb 1.21 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3d17 h PRO 100 CO 0.88 0.05 0.17 1.49 -0.21 0.00 0.00 178.00 180.39 3d17 h GLU 101 N 0.08 0.33 -0.00 1.05 4.57 -1.98 -1.11 114.58 117.52 3d17 h GLU 101 Ca 0.75 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.91 3d17 h GLU 101 Cb 2.65 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 31.17 3d17 h GLU 101 CO -0.19 0.22 0.00 -0.91 -1.18 0.00 0.00 179.01 176.95 3d17 h ASN 102 N 0.34 0.00 -0.71 1.04 2.35 -1.69 -0.14 115.58 116.77 3d17 h ASN 102 Ca 0.27 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 3d17 h ASN 102 Cb 0.34 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3d17 h ASN 102 CO -0.30 0.00 0.28 -0.26 -1.65 0.00 0.00 177.43 175.50 3d17 h PHE 103 N 0.00 1.08 -0.17 1.19 0.04 -1.35 0.12 116.94 117.85 3d17 h PHE 103 Ca 0.00 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 3d17 h PHE 103 Cb 0.01 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 3d17 h PHE 103 CO 0.00 0.83 -0.45 0.00 -0.60 0.00 0.00 178.31 178.09 3d17 h ARG 104 N 1.01 0.41 0.22 1.51 3.08 -1.11 -2.28 114.38 117.24 3d17 h ARG 104 Ca 0.24 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3d17 h ARG 104 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3d17 h ARG 104 CO -0.02 0.79 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.49 3d17 h LEU 105 N 0.34 -0.26 -1.00 3.04 3.38 -0.53 -2.20 115.31 118.07 3d17 h LEU 105 Ca 0.02 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3d17 h LEU 105 Cb 0.93 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 3d17 h LEU 105 CO 0.08 -0.16 0.65 0.25 0.09 0.00 0.00 178.44 179.34 3d17 h LEU 106 N -0.32 1.05 0.07 1.67 5.85 -0.73 -1.99 115.31 120.91 3d17 h LEU 106 Ca -0.03 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3d17 h LEU 106 Cb 0.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3d17 h LEU 106 CO 0.05 0.68 -0.29 1.23 -0.34 0.00 0.00 178.44 179.77 3d17 h GLY 107 N 1.19 -0.51 1.46 3.75 0.00 -1.03 -0.02 103.07 107.92 3d17 h GLY 107 Ca 0.42 0.34 -0.00 0.00 0.00 0.00 0.00 47.33 48.09 3d17 h GLY 107 CO -0.16 -0.23 0.33 3.43 0.00 0.00 0.00 176.54 179.91 3d17 h ASN 108 N -0.48 0.64 -0.62 0.19 2.35 -0.98 -0.35 115.58 116.33 3d17 h ASN 108 Ca 0.04 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3d17 h ASN 108 Cb 0.53 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3d17 h ASN 108 CO -0.20 0.49 0.39 0.58 -1.65 0.00 0.00 177.43 177.04 3d17 h VAL 109 N 0.74 1.17 -0.64 2.81 2.07 -0.60 0.15 116.25 121.95 3d17 h VAL 109 Ca 0.20 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3d17 h VAL 109 Cb -0.04 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 3d17 h VAL 109 CO -0.04 0.18 0.37 0.25 0.02 0.00 0.00 177.57 178.35 3d17 h LEU 110 N 0.84 0.57 -1.74 2.57 6.46 0.59 0.17 115.31 124.77 3d17 h LEU 110 Ca 0.23 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.97 3d17 h LEU 110 Cb -0.05 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 3d17 h LEU 110 CO -0.04 0.38 -0.17 0.58 -0.62 0.00 0.00 178.44 178.56 3d17 h VAL 111 N 0.70 0.77 -0.01 1.05 2.07 0.03 0.14 116.25 121.01 3d17 h VAL 111 Ca 0.28 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3d17 h VAL 111 Cb 0.13 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3d17 h VAL 111 CO -0.15 0.17 -0.14 0.00 0.02 0.00 0.00 177.57 177.46 3d17 h VAL 113 N -0.56 0.58 0.18 0.00 2.07 -0.19 1.39 116.25 119.72 3d17 h VAL 113 Ca -0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3d17 h VAL 113 Cb 0.87 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3d17 h VAL 113 CO 0.03 0.06 -0.09 -0.07 0.02 0.00 0.00 177.57 177.52 3d17 h LEU 114 N 0.31 -0.20 -1.17 2.57 3.38 -0.98 -0.50 115.31 118.71 3d17 h LEU 114 Ca 0.39 -0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3d17 h LEU 114 Cb 0.63 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 3d17 h LEU 114 CO -0.46 0.07 0.59 0.00 0.09 0.00 0.00 178.44 178.73 3d17 h ALA 115 N 0.28 1.65 0.38 1.53 0.00 -0.17 -0.48 119.26 122.46 3d17 h ALA 115 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3d17 h ALA 115 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3d17 h ALA 115 CO 0.04 0.15 -0.37 1.25 0.00 0.00 0.00 179.25 180.32 3d17 h HIS 116 N 0.88 -1.01 0.00 0.00 -0.00 0.22 -2.56 115.15 112.68 3d17 h HIS 116 Ca 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 3d17 h HIS 116 Cb 0.48 0.39 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 3d17 h HIS 116 CO -0.00 -0.49 0.00 0.72 -0.00 0.00 0.00 177.93 178.16 3d17 n HIS 117 N -4.62 0.00 0.40 5.26 -0.00 -0.23 -3.38 115.22 112.66 3d17 n HIS 117 Ca -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.64 3d17 n HIS 117 Cb 0.34 -0.36 0.05 0.00 -0.00 0.00 0.00 29.99 30.01 3d17 n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3d17 n PHE 118 N -1.62 0.00 0.00 4.41 3.01 -0.27 -4.87 117.46 118.11 3d17 n PHE 118 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3d17 n PHE 118 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3d17 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d17 n GLY 119 N -0.37 1.55 0.10 1.37 0.00 -0.96 -0.95 105.19 105.92 3d17 n GLY 119 Ca 0.01 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 3d17 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d17 h LYS 120 N 0.00 0.16 0.00 1.61 1.57 -1.89 -3.14 116.57 114.88 3d17 h LYS 120 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3d17 h LYS 120 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3d17 h LYS 120 CO 0.00 1.05 0.01 -1.91 -0.57 0.00 0.00 179.45 178.04 3d17 n GLU 121 N -3.52 0.00 -2.90 3.15 2.13 -0.13 -2.69 120.64 116.69 3d17 n GLU 121 Ca -0.04 0.37 -0.42 0.00 0.66 0.00 0.00 57.16 57.73 3d17 n GLU 121 Cb 0.92 -1.51 0.01 0.00 0.27 0.00 0.00 31.44 31.13 3d17 n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3d17 n PHE 122 N -1.37 2.39 -0.92 4.31 7.35 -1.19 -4.97 117.46 123.07 3d17 n PHE 122 Ca 0.00 -2.58 -0.31 0.00 -0.76 0.00 0.00 57.45 53.80 3d17 n PHE 122 Cb 0.01 -1.23 0.14 0.00 0.35 0.00 0.00 39.48 38.76 3d17 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d17 s THR 123 N -3.27 2.53 0.20 -2.13 -4.23 -1.09 -4.73 115.64 102.91 3d17 s THR 123 Ca 0.33 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 3d17 s THR 123 Cb 0.09 -2.38 0.15 0.00 1.34 0.00 0.00 72.50 71.71 3d17 s THR 123 CO 0.04 -0.22 1.69 -0.65 -0.54 0.00 0.00 174.62 174.93 3d17 h PRO 124 N -1.56 0.15 -0.16 3.99 0.11 -1.95 -0.97 132.00 131.61 3d17 h PRO 124 Ca -0.43 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 3d17 h PRO 124 Cb 1.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3d17 h PRO 124 CO 0.45 0.10 -0.05 -1.35 -0.21 0.00 0.00 178.00 176.94 3d17 h PRO 125 N 0.15 -0.01 -0.50 1.05 0.11 -1.99 0.14 132.00 130.96 3d17 h PRO 125 Ca 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.39 3d17 h PRO 125 Cb 0.43 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3d17 h PRO 125 CO -0.43 -0.01 0.29 -0.39 -0.21 0.00 0.00 178.00 177.25 3d17 h VAL 126 N -0.01 1.14 -0.68 3.15 -1.51 -1.79 0.16 116.25 116.70 3d17 h VAL 126 Ca 0.08 -0.33 -0.05 0.00 -1.23 0.00 0.00 66.70 65.17 3d17 h VAL 126 Cb 0.13 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 29.71 3d17 h VAL 126 CO -0.17 0.15 0.22 -0.61 -1.23 0.00 0.00 177.57 175.93 3d17 h GLN 127 N 0.68 1.06 -0.47 5.19 4.15 -0.56 -1.15 115.11 124.01 3d17 h GLN 127 Ca 0.18 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 3d17 h GLN 127 Cb -0.02 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 3d17 h GLN 127 CO -0.03 0.91 0.06 0.00 -1.93 0.00 0.00 178.83 177.84 3d17 h ALA 128 N 1.10 1.22 -0.59 3.38 0.00 0.11 0.96 119.26 125.43 3d17 h ALA 128 Ca 0.22 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3d17 h ALA 128 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3d17 h ALA 128 CO -0.01 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.81 3d17 h ALA 129 N 1.36 0.95 -0.10 0.00 0.00 -0.07 -2.91 119.26 118.48 3d17 h ALA 129 Ca 0.15 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 3d17 h ALA 129 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3d17 h ALA 129 CO 0.01 0.64 -0.79 1.88 0.00 0.00 0.00 179.25 180.99 3d17 h TYR 130 N 0.92 0.84 -0.39 0.00 0.05 -0.63 -3.03 116.97 114.73 3d17 h TYR 130 Ca 0.18 -0.38 0.11 0.00 0.05 0.00 0.00 58.73 58.69 3d17 h TYR 130 Cb 0.48 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3d17 h TYR 130 CO 0.03 1.18 0.35 1.96 -1.05 0.00 0.00 178.16 180.63 3d17 h GLN 131 N 0.41 0.00 -0.01 4.88 1.08 -0.64 0.41 115.11 121.24 3d17 h GLN 131 Ca -0.05 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3d17 h GLN 131 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 3d17 h GLN 131 CO 0.15 0.00 -0.07 0.87 -0.95 0.00 0.00 178.83 178.83 3d17 h LYS 132 N 0.00 0.06 -0.38 1.46 1.57 -1.41 -1.74 116.57 116.14 3d17 h LYS 132 Ca 0.18 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3d17 h LYS 132 Cb 0.87 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3d17 h LYS 132 CO -0.00 0.77 0.20 0.28 -0.57 0.00 0.00 179.45 180.13 3d17 h VAL 133 N -0.62 1.15 -0.66 0.50 2.07 -0.96 -0.81 116.25 116.93 3d17 h VAL 133 Ca -0.01 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 3d17 h VAL 133 Cb 0.79 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3d17 h VAL 133 CO 0.01 0.16 0.17 -0.37 0.02 0.00 0.00 177.57 177.57 3d17 h VAL 134 N 0.49 1.25 -0.55 2.57 -1.51 -1.19 -0.65 116.25 116.65 3d17 h VAL 134 Ca 0.13 -0.90 0.10 0.00 -1.23 0.00 0.00 66.70 64.80 3d17 h VAL 134 Cb 0.08 0.56 -0.03 0.00 -2.13 0.00 0.00 31.29 29.76 3d17 h VAL 134 CO -0.02 0.35 0.38 0.00 -1.23 0.00 0.00 177.57 177.04 3d17 h ALA 135 N 1.20 2.10 0.00 5.19 0.00 -0.46 -0.70 119.26 126.59 3d17 h ALA 135 Ca 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3d17 h ALA 135 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3d17 h ALA 135 CO -0.00 -0.23 -0.48 0.78 0.00 0.00 0.00 179.25 179.32 3d17 h GLY 136 N 0.32 0.00 0.31 0.00 0.00 -0.30 -3.08 103.07 100.32 3d17 h GLY 136 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.71 3d17 h GLY 136 CO -0.06 0.00 0.38 -2.08 0.00 0.00 0.00 176.54 174.78 3d17 h VAL 137 N -1.00 0.76 -0.35 4.60 2.07 -0.94 0.76 116.25 122.15 3d17 h VAL 137 Ca -0.13 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3d17 h VAL 137 Cb 1.06 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3d17 h VAL 137 CO -0.08 0.11 0.22 0.00 0.02 0.00 0.00 177.57 177.84 3d17 h ALA 138 N 1.51 0.45 0.03 1.67 0.00 -1.27 0.11 119.26 121.76 3d17 h ALA 138 Ca 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3d17 h ALA 138 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3d17 h ALA 138 CO -0.33 -0.07 -0.02 -0.97 0.00 0.00 0.00 179.25 177.86 3d17 h ASN 139 N 0.47 -0.04 -0.02 0.00 -0.00 -0.75 -2.69 115.58 112.54 3d17 h ASN 139 Ca 0.13 -0.19 0.01 0.00 -0.00 0.00 0.00 56.30 56.24 3d17 h ASN 139 Cb -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.31 3d17 h ASN 139 CO -0.03 0.17 0.02 0.00 -0.00 0.00 0.00 177.43 177.59 3d17 h ALA 140 N 0.71 1.93 0.00 1.57 0.00 0.63 -0.70 119.26 123.39 3d17 h ALA 140 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d17 h ALA 140 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3d17 h ALA 140 CO 0.01 -0.03 -0.23 -0.11 0.00 0.00 0.00 179.25 178.89 3d17 n LEU 141 N -4.40 0.31 -0.66 0.00 0.00 0.38 -3.31 117.00 109.31 3d17 n LEU 141 Ca -0.02 0.31 0.11 0.00 0.00 0.00 0.00 56.01 56.41 3d17 n LEU 141 Cb 0.11 -0.37 0.03 0.00 0.00 0.00 0.00 43.42 43.20 3d17 n LEU 141 CO 0.33 0.02 0.42 0.00 0.00 0.00 0.00 177.39 178.16 3d17 n ALA 142 N -1.56 3.11 -0.32 1.96 0.00 -0.29 -4.38 120.51 119.02 3d17 n ALA 142 Ca 0.06 -0.65 0.18 0.00 0.00 0.00 0.00 53.44 53.03 3d17 n ALA 142 Cb 0.36 -0.77 0.35 0.00 0.00 0.00 0.00 19.45 19.38 3d17 n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3d17 n HIS 143 N 0.49 0.73 0.73 0.00 -0.00 -1.07 -0.22 115.22 115.88 3d17 n HIS 143 Ca 0.11 1.15 0.00 0.00 -0.00 0.00 0.00 57.72 58.97 3d17 n HIS 143 Cb 0.50 -1.29 0.00 0.00 -0.00 0.00 0.00 29.99 29.20 3d17 n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3d17 n LYS 144 N -5.36 0.73 0.00 1.57 4.76 -1.26 -3.13 118.16 115.47 3d17 n LYS 144 Ca 0.26 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3d17 n LYS 144 Cb 0.86 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 3d17 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3d17 n TYR 145 N 0.51 0.00 0.01 2.13 4.01 0.69 -4.80 117.16 119.71 3d17 n TYR 145 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3d17 n TYR 145 Cb 0.32 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 3d17 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01