#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxt s VAL 2 N 0.00 3.37 -0.58 1.12 1.01 -1.26 -4.99 120.40 119.07 1dxt s VAL 2 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1dxt s VAL 2 Cb 0.00 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.17 1dxt s VAL 2 CO 0.00 -0.13 0.48 -1.00 0.00 0.00 0.00 175.10 174.45 1dxt s HIS 3 N 5.51 3.44 -0.17 5.22 3.76 -1.26 -4.95 115.29 126.85 1dxt s HIS 3 Ca 0.82 -1.82 -0.03 0.00 -0.15 0.00 0.00 55.06 53.88 1dxt s HIS 3 Cb -0.32 -3.62 -0.02 0.00 1.11 0.00 0.00 32.58 29.74 1dxt s HIS 3 CO 0.33 -0.99 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.67 1dxt s LEU 4 N 1.04 3.00 0.40 0.89 1.43 -1.26 -5.08 118.68 119.10 1dxt s LEU 4 Ca 0.09 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.66 1dxt s LEU 4 Cb -0.23 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 1dxt s LEU 4 CO -0.02 0.10 1.31 0.42 0.23 0.00 0.00 176.35 178.40 1dxt s THR 5 N 0.74 2.60 0.20 5.49 -4.23 -1.26 -4.75 115.64 114.42 1dxt s THR 5 Ca -0.03 0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 1dxt s THR 5 Cb -0.15 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.66 1dxt s THR 5 CO 0.02 0.08 1.18 -2.65 -0.54 0.00 0.00 174.62 172.71 1dxt n PRO 6 N 0.15 -0.11 -0.33 3.99 -0.01 -1.26 0.04 135.00 137.47 1dxt n PRO 6 Ca 0.04 1.18 0.02 0.00 -0.01 0.00 0.00 63.50 64.72 1dxt n PRO 6 Cb 0.43 -1.75 0.19 0.00 -0.01 0.00 0.00 33.50 32.37 1dxt n PRO 6 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1dxt h GLU 7 N 0.00 1.11 -0.07 -0.52 5.08 -1.99 -0.30 114.58 117.88 1dxt h GLU 7 Ca 0.33 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1dxt h GLU 7 Cb 0.51 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1dxt h GLU 7 CO -0.77 0.74 -0.33 0.93 -1.00 0.00 0.00 179.01 178.58 1dxt h GLU 8 N 1.14 0.13 0.32 2.33 5.08 -0.74 -1.42 114.58 121.43 1dxt h GLU 8 Ca 0.38 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1dxt h GLU 8 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1dxt h GLU 8 CO -0.13 0.45 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.96 1dxt h LYS 9 N 0.12 -0.41 0.00 2.33 1.63 -0.08 -2.19 116.57 117.97 1dxt h LYS 9 Ca 0.02 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1dxt h LYS 9 Cb 0.64 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1dxt h LYS 9 CO 0.05 -0.11 -0.03 0.66 -3.45 0.00 0.00 179.45 176.57 1dxt h SER 10 N -0.99 0.00 -0.27 4.20 4.64 -1.20 0.30 113.55 120.23 1dxt h SER 10 Ca -0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1dxt h SER 10 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1dxt h SER 10 CO 0.07 0.03 -0.01 0.00 -0.87 0.00 0.00 176.83 176.06 1dxt h ALA 11 N 1.97 0.37 0.35 5.18 0.00 -1.19 -1.09 119.26 124.85 1dxt h ALA 11 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1dxt h ALA 11 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dxt h ALA 11 CO 0.00 0.11 -0.17 0.28 0.00 0.00 0.00 179.25 179.48 1dxt h VAL 12 N 0.26 0.66 -0.35 0.00 2.07 -0.50 -2.70 116.25 115.69 1dxt h VAL 12 Ca 0.08 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1dxt h VAL 12 Cb 0.43 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1dxt h VAL 12 CO 0.02 0.07 0.14 0.74 0.02 0.00 0.00 177.57 178.56 1dxt h THR 13 N -0.67 0.93 -0.53 2.57 2.02 -1.03 -0.83 112.91 115.37 1dxt h THR 13 Ca -0.05 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1dxt h THR 13 Cb 0.47 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1dxt h THR 13 CO 0.08 0.06 0.33 0.00 0.37 0.00 0.00 175.52 176.36 1dxt h ALA 14 N 1.21 0.68 -0.40 6.16 0.00 -1.21 -2.12 119.26 123.57 1dxt h ALA 14 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1dxt h ALA 14 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1dxt h ALA 14 CO -0.14 0.07 -0.17 1.25 0.00 0.00 0.00 179.25 180.26 1dxt h LEU 15 N 0.67 0.84 -1.76 0.00 7.12 -1.24 -2.98 115.31 117.97 1dxt h LEU 15 Ca 0.21 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1dxt h LEU 15 Cb -0.03 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 1dxt h LEU 15 CO -0.07 1.05 0.05 -0.25 -0.13 0.00 0.00 178.44 179.08 1dxt h TRP 16 N 0.63 0.19 -0.22 1.25 2.91 -0.81 -1.82 115.95 118.09 1dxt h TRP 16 Ca 0.09 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.17 1dxt h TRP 16 Cb 0.72 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 1dxt h TRP 16 CO 0.06 0.17 0.20 0.78 -1.03 0.00 0.00 178.44 178.61 1dxt h GLY 17 N 0.33 0.00 -0.27 2.65 0.00 -1.22 -1.21 103.07 103.34 1dxt h GLY 17 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1dxt h GLY 17 CO -0.00 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 176.50 1dxt n LYS 18 N -4.05 1.04 -2.89 4.80 5.02 -0.69 -4.93 118.16 116.46 1dxt n LYS 18 Ca 0.02 -0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 55.18 1dxt n LYS 18 Cb 0.33 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1dxt n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dxt s VAL 19 N -2.45 4.80 -0.65 -0.18 1.01 -0.46 -4.98 120.40 117.49 1dxt s VAL 19 Ca 0.23 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 1dxt s VAL 19 Cb 0.19 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1dxt s VAL 19 CO 0.52 0.29 0.93 0.21 0.00 0.00 0.00 175.10 177.05 1dxt s ASN 20 N 0.39 6.17 0.30 3.32 3.84 -1.26 -4.93 114.94 122.77 1dxt s ASN 20 Ca 0.43 -1.05 0.05 0.00 0.21 0.00 0.00 52.86 52.49 1dxt s ASN 20 Cb -0.20 -2.40 0.71 0.00 -0.55 0.00 0.00 41.25 38.81 1dxt s ASN 20 CO 0.24 -1.40 1.77 0.58 -2.79 0.00 0.00 177.10 175.50 1dxt h VAL 21 N 5.97 0.68 0.34 -5.21 2.07 -1.95 -1.10 116.25 117.06 1dxt h VAL 21 Ca -0.29 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1dxt h VAL 21 Cb 1.07 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1dxt h VAL 21 CO 1.17 0.13 -0.24 0.44 0.02 0.00 0.00 177.57 179.09 1dxt h ASP 22 N 0.71 -0.63 -0.10 0.57 5.19 -1.91 -0.84 116.42 119.41 1dxt h ASP 22 Ca 0.56 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 57.00 1dxt h ASP 22 Cb 0.89 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1dxt h ASP 22 CO -0.40 -0.38 -0.01 -0.08 -3.12 0.00 0.00 179.24 175.26 1dxt h GLU 23 N -0.58 0.18 -0.34 3.56 4.81 -1.81 -2.69 114.58 117.71 1dxt h GLU 23 Ca -0.03 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1dxt h GLU 23 Cb 0.50 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1dxt h GLU 23 CO 0.01 0.45 -0.26 0.28 -0.73 0.00 0.00 179.01 178.76 1dxt h VAL 24 N -0.11 1.27 -0.23 0.32 2.07 -1.26 -2.41 116.25 115.90 1dxt h VAL 24 Ca 0.03 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1dxt h VAL 24 Cb 0.37 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1dxt h VAL 24 CO 0.01 0.45 0.11 1.23 0.02 0.00 0.00 177.57 179.38 1dxt h GLY 25 N 0.99 0.35 1.06 2.17 0.00 -1.17 0.82 103.07 107.28 1dxt h GLY 25 Ca 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1dxt h GLY 25 CO 0.06 0.17 0.19 -1.33 0.00 0.00 0.00 176.54 175.62 1dxt h GLY 26 N 0.24 1.20 0.83 4.60 0.00 -1.42 -1.33 103.07 107.19 1dxt h GLY 26 Ca 0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1dxt h GLY 26 CO -0.01 0.69 -0.03 0.83 0.00 0.00 0.00 176.54 178.02 1dxt h GLU 27 N 1.05 -0.08 0.09 4.80 4.39 -1.19 -1.26 114.58 122.38 1dxt h GLU 27 Ca 0.22 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1dxt h GLU 27 Cb 0.35 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1dxt h GLU 27 CO -0.00 0.10 -0.04 0.00 -1.16 0.00 0.00 179.01 177.91 1dxt h ALA 28 N 0.67 -0.11 -0.54 3.43 0.00 -0.70 -0.79 119.26 121.22 1dxt h ALA 28 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1dxt h ALA 28 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dxt h ALA 28 CO 0.01 -0.54 0.20 1.25 0.00 0.00 0.00 179.25 180.17 1dxt h LEU 29 N -0.16 0.75 -0.57 0.00 5.85 -1.28 -1.58 115.31 118.32 1dxt h LEU 29 Ca -0.01 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1dxt h LEU 29 Cb 0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1dxt h LEU 29 CO 0.02 0.73 0.33 1.23 -0.34 0.00 0.00 178.44 180.41 1dxt h GLY 30 N 0.73 0.84 1.55 3.75 0.00 -1.13 -2.09 103.07 106.73 1dxt h GLY 30 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1dxt h GLY 30 CO -0.01 0.35 -0.03 3.21 0.00 0.00 0.00 176.54 180.06 1dxt h ARG 31 N 0.77 0.56 -0.32 4.80 3.08 -1.01 -1.53 114.38 120.73 1dxt h ARG 31 Ca 0.20 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1dxt h ARG 31 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1dxt h ARG 31 CO -0.04 0.60 0.19 1.25 -1.07 0.00 0.00 179.97 180.91 1dxt h LEU 32 N 0.53 0.39 -1.48 3.04 5.85 -0.79 0.92 115.31 123.77 1dxt h LEU 32 Ca 0.11 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1dxt h LEU 32 Cb 0.38 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1dxt h LEU 32 CO 0.02 0.34 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.15 1dxt h LEU 33 N 0.41 0.00 0.00 2.25 4.07 -1.03 -0.66 115.31 120.34 1dxt h LEU 33 Ca 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 1dxt h LEU 33 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1dxt h LEU 33 CO -0.02 0.23 -0.53 0.58 -1.08 0.00 0.00 178.44 177.63 1dxt h VAL 34 N 0.00 1.20 -0.24 1.22 2.07 -0.88 -3.27 116.25 116.35 1dxt h VAL 34 Ca -0.00 -2.09 -0.16 0.00 0.82 0.00 0.00 66.70 65.26 1dxt h VAL 34 Cb 0.56 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1dxt h VAL 34 CO 0.03 0.41 -0.52 0.58 0.02 0.00 0.00 177.57 178.09 1dxt h VAL 35 N -1.00 1.30 -2.75 2.57 2.07 -0.84 -3.35 116.25 114.25 1dxt h VAL 35 Ca -0.14 -1.73 -0.61 0.00 0.82 0.00 0.00 66.70 65.04 1dxt h VAL 35 Cb 1.01 1.67 -0.41 0.00 -1.52 0.00 0.00 31.29 32.04 1dxt h VAL 35 CO -0.08 0.55 -0.69 -1.22 0.02 0.00 0.00 177.57 176.15 1dxt n TYR 36 N -3.99 2.23 0.28 1.57 4.01 -0.26 -4.98 117.16 116.02 1dxt n TYR 36 Ca -0.03 -4.04 0.18 0.00 -0.16 0.00 0.00 57.90 53.85 1dxt n TYR 36 Cb 0.60 -0.41 0.95 0.00 -0.31 0.00 0.00 39.34 40.16 1dxt n TYR 36 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dxt h PRO 37 N 5.19 0.00 0.00 -0.72 0.13 -1.71 -0.93 132.00 133.97 1dxt h PRO 37 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1dxt h PRO 37 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1dxt h PRO 37 CO 0.65 0.00 -0.04 0.11 -0.23 0.00 0.00 178.00 178.49 1dxt h TRP 38 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.42 115.95 115.27 1dxt h TRP 38 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1dxt h TRP 38 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.55 1dxt h TRP 38 CO 0.00 0.04 0.00 1.79 0.09 0.00 0.00 178.44 180.36 1dxt h THR 39 N 0.00 0.00 0.00 0.12 1.35 -1.48 -2.47 112.91 110.43 1dxt h THR 39 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1dxt h THR 39 Cb 0.20 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1dxt h THR 39 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1dxt n GLN 40 N -2.42 0.05 0.32 4.72 6.02 -0.17 -3.00 117.38 122.89 1dxt n GLN 40 Ca 0.00 0.38 0.22 0.00 -0.01 0.00 0.00 57.00 57.59 1dxt n GLN 40 Cb 0.16 -1.61 1.14 0.00 1.02 0.00 0.00 30.24 30.96 1dxt n GLN 40 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1dxt h ARG 41 N 0.00 0.00 -0.01 -1.09 0.11 -1.65 -1.68 114.38 110.06 1dxt h ARG 41 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dxt h ARG 41 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1dxt h ARG 41 CO 0.00 0.00 -0.24 1.19 0.10 0.00 0.00 179.97 181.02 1dxt n PHE 42 N -3.01 0.00 -2.16 4.08 3.72 -1.16 -4.40 117.46 114.52 1dxt n PHE 42 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 1dxt n PHE 42 Cb 0.08 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.63 1dxt n PHE 42 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dxt n PHE 43 N -0.33 1.06 0.04 1.38 3.72 -0.63 -4.83 117.46 117.88 1dxt n PHE 43 Ca 0.13 -1.63 0.18 0.00 -0.05 0.00 0.00 57.45 56.07 1dxt n PHE 43 Cb 0.38 -0.25 0.68 0.00 -0.94 0.00 0.00 39.48 39.35 1dxt n PHE 43 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1dxt h GLU 44 N 1.67 0.01 -0.11 -1.08 4.39 -1.77 -1.93 114.58 115.77 1dxt h GLU 44 Ca 0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1dxt h GLU 44 Cb 1.40 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1dxt h GLU 44 CO 0.28 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.01 1dxt n SER 45 N -4.41 1.09 0.01 1.42 3.41 -1.26 -4.17 113.62 109.72 1dxt n SER 45 Ca 0.08 -1.60 0.14 0.00 -0.26 0.00 0.00 58.87 57.22 1dxt n SER 45 Cb 0.52 -0.07 0.53 0.00 -0.26 0.00 0.00 64.21 64.93 1dxt n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dxt n PHE 46 N -0.06 0.11 0.00 7.33 3.01 -0.72 -5.04 117.46 122.09 1dxt n PHE 46 Ca 0.15 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1dxt n PHE 46 Cb 0.24 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1dxt n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxt n GLY 47 N 1.48 0.29 3.63 1.37 0.00 -1.26 -4.69 105.19 106.01 1dxt n GLY 47 Ca 0.07 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1dxt n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxt s ASP 48 N -4.00 6.69 -0.09 1.61 2.15 -1.26 -4.87 116.67 116.91 1dxt s ASP 48 Ca 0.00 1.20 0.13 0.00 0.43 0.00 0.00 52.55 54.32 1dxt s ASP 48 Cb 0.00 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.28 1dxt s ASP 48 CO 0.00 -1.06 1.09 0.18 -0.17 0.00 0.00 175.17 175.21 1dxt n LEU 49 N 7.56 1.83 0.24 -1.34 4.77 -1.26 -4.11 117.00 124.69 1dxt n LEU 49 Ca 0.15 -2.52 0.10 0.00 -0.03 0.00 0.00 56.01 53.70 1dxt n LEU 49 Cb 0.47 -0.30 0.61 0.00 -2.33 0.00 0.00 43.42 41.87 1dxt n LEU 49 CO 0.63 0.59 0.91 0.77 -1.33 0.00 0.00 177.39 178.95 1dxt h SER 50 N 0.00 0.00 -5.19 -1.43 4.64 -1.93 -3.44 113.55 106.20 1dxt h SER 50 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1dxt h SER 50 Cb 1.02 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.97 1dxt h SER 50 CO 0.00 0.18 -0.37 0.42 -0.87 0.00 0.00 176.83 176.19 1dxt s THR 51 N -4.22 0.13 0.27 2.95 -4.23 -1.26 -5.02 115.64 104.26 1dxt s THR 51 Ca -0.03 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1dxt s THR 51 Cb 0.13 -1.46 0.26 0.00 1.34 0.00 0.00 72.50 72.78 1dxt s THR 51 CO 0.63 -0.57 1.80 -0.65 -0.54 0.00 0.00 174.62 175.29 1dxt h PRO 52 N 2.71 0.81 -0.28 3.99 0.11 -1.98 -0.20 132.00 137.15 1dxt h PRO 52 Ca -0.34 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 1dxt h PRO 52 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1dxt h PRO 52 CO 0.55 0.54 -0.31 -0.44 -0.21 0.00 0.00 178.00 178.13 1dxt h ASP 53 N 0.84 0.61 -0.12 -2.05 3.32 -1.98 -0.80 116.42 116.23 1dxt h ASP 53 Ca 0.48 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1dxt h ASP 53 Cb 0.57 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1dxt h ASP 53 CO -0.30 0.89 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 1dxt h ALA 54 N 1.16 0.16 0.25 3.45 0.00 -1.51 -1.77 119.26 120.99 1dxt h ALA 54 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dxt h ALA 54 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1dxt h ALA 54 CO 0.06 -0.15 -0.24 0.28 0.00 0.00 0.00 179.25 179.21 1dxt h VAL 55 N -0.05 0.48 -0.48 0.00 2.07 -0.92 -1.66 116.25 115.69 1dxt h VAL 55 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1dxt h VAL 55 Cb 0.35 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1dxt h VAL 55 CO 0.01 0.00 0.19 0.24 0.02 0.00 0.00 177.57 178.02 1dxt h MET 56 N -0.52 0.69 -0.01 1.57 2.07 -1.17 -2.57 114.93 114.99 1dxt h MET 56 Ca -0.01 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1dxt h MET 56 Cb 0.48 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 1dxt h MET 56 CO -0.05 0.58 -0.05 0.41 1.07 0.00 0.00 176.91 178.87 1dxt n GLY 57 N -1.11 -0.21 3.68 8.32 0.00 -0.67 -4.88 105.19 110.32 1dxt n GLY 57 Ca 0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1dxt n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxt s ASN 58 N -2.11 6.83 0.30 1.61 3.84 -0.64 -4.90 114.94 119.88 1dxt s ASN 58 Ca 0.36 2.09 0.04 0.00 0.21 0.00 0.00 52.86 55.57 1dxt s ASN 58 Cb 0.21 -2.56 0.47 0.00 -0.55 0.00 0.00 41.25 38.83 1dxt s ASN 58 CO 0.37 -0.75 1.75 1.55 -2.79 0.00 0.00 177.10 177.23 1dxt h PRO 59 N 8.07 0.39 -0.27 0.43 0.13 -1.90 -1.44 132.00 137.41 1dxt h PRO 59 Ca -0.37 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1dxt h PRO 59 Cb 1.17 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1dxt h PRO 59 CO 0.92 0.63 -0.28 0.87 -0.23 0.00 0.00 178.00 179.90 1dxt h LYS 60 N 0.35 0.54 -0.35 0.86 1.57 -1.90 0.12 116.57 117.74 1dxt h LYS 60 Ca 0.05 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1dxt h LYS 60 Cb 0.65 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1dxt h LYS 60 CO 0.05 0.77 0.04 0.28 -0.57 0.00 0.00 179.45 180.01 1dxt h VAL 61 N 0.47 1.25 -0.66 0.50 2.07 -1.81 -0.87 116.25 117.19 1dxt h VAL 61 Ca 0.06 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1dxt h VAL 61 Cb 0.73 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1dxt h VAL 61 CO 0.06 0.30 0.37 0.11 0.02 0.00 0.00 177.57 178.43 1dxt h LYS 62 N 0.43 0.91 -0.24 1.57 1.57 -0.97 0.88 116.57 120.72 1dxt h LYS 62 Ca 0.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1dxt h LYS 62 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1dxt h LYS 62 CO 0.01 0.68 0.09 0.00 -0.57 0.00 0.00 179.45 179.66 1dxt h ALA 63 N 1.18 0.31 -0.30 3.86 0.00 -0.62 -2.31 119.26 121.38 1dxt h ALA 63 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1dxt h ALA 63 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dxt h ALA 63 CO -0.04 -0.09 0.05 1.25 0.00 0.00 0.00 179.25 180.42 1dxt h HIS 64 N 0.22 0.54 -0.87 0.00 -0.00 -1.01 -2.26 115.15 111.77 1dxt h HIS 64 Ca 0.08 -0.08 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 1dxt h HIS 64 Cb 0.20 -0.15 -0.10 0.00 -0.00 0.00 0.00 27.41 27.36 1dxt h HIS 64 CO -0.00 0.59 0.45 0.78 -0.00 0.00 0.00 177.93 179.75 1dxt h GLY 65 N 0.33 1.43 1.05 5.26 0.00 -0.75 0.34 103.07 110.72 1dxt h GLY 65 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1dxt h GLY 65 CO 0.01 -0.05 0.04 1.70 0.00 0.00 0.00 176.54 178.24 1dxt h LYS 66 N 0.63 1.01 -0.25 4.80 3.64 -1.12 -1.77 116.57 123.51 1dxt h LYS 66 Ca 0.48 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1dxt h LYS 66 Cb 0.69 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1dxt h LYS 66 CO -0.37 0.98 0.11 -0.22 -2.27 0.00 0.00 179.45 177.67 1dxt h LYS 67 N 0.90 0.37 -0.27 1.90 3.64 -0.65 -1.42 116.57 121.05 1dxt h LYS 67 Ca 0.17 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1dxt h LYS 67 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1dxt h LYS 67 CO 0.02 0.39 0.07 0.28 -2.27 0.00 0.00 179.45 177.94 1dxt h VAL 68 N 0.26 1.21 0.00 2.00 2.07 -0.89 -2.37 116.25 118.53 1dxt h VAL 68 Ca 0.08 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1dxt h VAL 68 Cb 0.16 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1dxt h VAL 68 CO -0.01 0.22 -0.42 -0.07 0.02 0.00 0.00 177.57 177.31 1dxt h LEU 69 N 0.26 0.00 -0.42 2.57 -0.00 -1.28 -0.60 115.31 115.84 1dxt h LEU 69 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 1dxt h LEU 69 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1dxt h LEU 69 CO 0.00 0.42 0.12 1.23 -0.00 0.00 0.00 178.44 180.21 1dxt h GLY 70 N 2.04 0.72 1.35 0.83 0.00 -1.15 0.66 103.07 107.52 1dxt h GLY 70 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1dxt h GLY 70 CO 0.05 0.41 -0.08 0.00 0.00 0.00 0.00 176.54 176.92 1dxt h ALA 71 N 0.97 1.02 -0.68 3.60 0.00 -1.12 -1.67 119.26 121.39 1dxt h ALA 71 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1dxt h ALA 71 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1dxt h ALA 71 CO -0.00 0.59 0.31 0.35 0.00 0.00 0.00 179.25 180.50 1dxt h PHE 72 N 0.71 0.99 -0.89 0.00 3.04 -0.76 -2.60 116.94 117.43 1dxt h PHE 72 Ca 0.12 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1dxt h PHE 72 Cb 0.56 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1dxt h PHE 72 CO 0.03 0.75 0.51 0.77 -2.02 0.00 0.00 178.31 178.35 1dxt h SER 73 N 0.95 1.10 -0.91 0.41 0.02 0.13 -1.93 113.55 113.31 1dxt h SER 73 Ca 0.23 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1dxt h SER 73 Cb 0.15 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 1dxt h SER 73 CO -0.03 0.86 0.59 0.44 -1.14 0.00 0.00 176.83 177.56 1dxt h ASP 74 N 1.24 0.95 0.04 3.07 3.32 -1.06 -0.09 116.42 123.89 1dxt h ASP 74 Ca 0.32 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1dxt h ASP 74 Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1dxt h ASP 74 CO -0.06 0.63 -0.09 1.23 -1.72 0.00 0.00 179.24 179.23 1dxt h GLY 75 N 1.09 0.14 2.00 2.75 0.00 -1.04 -0.95 103.07 107.05 1dxt h GLY 75 Ca 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1dxt h GLY 75 CO -0.13 0.07 -0.03 1.41 0.00 0.00 0.00 176.54 177.86 1dxt h LEU 76 N 0.13 0.00 -0.03 3.11 4.07 -0.80 0.11 115.31 121.91 1dxt h LEU 76 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1dxt h LEU 76 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1dxt h LEU 76 CO 0.01 0.03 0.00 0.00 -1.08 0.00 0.00 178.44 177.41 1dxt n ALA 77 N -2.53 2.26 -2.59 1.53 0.00 -0.37 -3.93 120.51 114.88 1dxt n ALA 77 Ca -0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1dxt n ALA 77 Cb 0.12 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.13 1dxt n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxt n HIS 78 N -1.98 1.86 0.19 0.00 8.25 0.00 -4.89 115.22 118.65 1dxt n HIS 78 Ca 0.06 -2.70 0.18 0.00 -0.26 0.00 0.00 57.72 55.00 1dxt n HIS 78 Cb 0.39 -0.28 0.78 0.00 1.12 0.00 0.00 29.99 32.00 1dxt n HIS 78 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1dxt h LEU 79 N 2.76 0.00 0.00 2.41 5.85 -1.61 0.21 115.31 124.93 1dxt h LEU 79 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1dxt h LEU 79 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1dxt h LEU 79 CO 0.55 0.00 -0.48 0.44 -0.34 0.00 0.00 178.44 178.61 1dxt h ASP 80 N 0.00 0.00 -1.98 1.25 3.32 -1.90 -3.39 116.42 113.73 1dxt h ASP 80 Ca 0.12 -0.02 -0.48 0.00 0.02 0.00 0.00 57.03 56.66 1dxt h ASP 80 Cb 0.87 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.02 1dxt h ASP 80 CO -0.00 0.01 -1.19 -3.20 -1.72 0.00 0.00 179.24 173.14 1dxt n ASN 81 N -2.76 0.92 -0.10 6.45 5.15 0.73 -4.93 115.26 120.71 1dxt n ASN 81 Ca 0.02 -3.02 -0.09 0.00 -0.60 0.00 0.00 54.58 50.90 1dxt n ASN 81 Cb 0.52 -0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 39.14 1dxt n ASN 81 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dxt h LEU 82 N 3.00 0.39 -0.03 1.20 3.38 -1.70 -0.20 115.31 121.35 1dxt h LEU 82 Ca 0.10 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1dxt h LEU 82 Cb 0.97 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1dxt h LEU 82 CO 0.51 0.30 -0.07 0.11 0.09 0.00 0.00 178.44 179.38 1dxt h LYS 83 N 0.45 -0.11 -0.58 1.13 1.57 -1.90 0.81 116.57 117.94 1dxt h LYS 83 Ca 0.12 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1dxt h LYS 83 Cb -0.03 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1dxt h LYS 83 CO -0.02 -0.07 0.36 0.78 -0.57 0.00 0.00 179.45 179.93 1dxt h GLY 84 N -0.11 0.84 0.73 3.86 0.00 -1.92 -1.61 103.07 104.86 1dxt h GLY 84 Ca 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.08 1dxt h GLY 84 CO -0.10 0.33 0.36 -0.84 0.00 0.00 0.00 176.54 176.29 1dxt h THR 85 N 0.78 0.99 -0.33 4.70 2.02 -0.57 -3.12 112.91 117.39 1dxt h THR 85 Ca 0.21 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1dxt h THR 85 Cb -0.04 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1dxt h THR 85 CO -0.04 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.46 1dxt n PHE 86 N -4.78 0.42 -0.16 3.16 3.72 0.24 -4.65 117.46 115.40 1dxt n PHE 86 Ca 0.07 -0.21 -0.03 0.00 -0.05 0.00 0.00 57.45 57.23 1dxt n PHE 86 Cb 0.14 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1dxt n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dxt h ALA 87 N 4.47 0.32 -0.01 4.37 0.00 -1.23 0.45 119.26 127.63 1dxt h ALA 87 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1dxt h ALA 87 Cb 0.92 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dxt h ALA 87 CO 0.00 -0.44 0.01 1.15 0.00 0.00 0.00 179.25 179.96 1dxt h THR 88 N -0.00 1.10 -0.21 0.00 2.02 -1.83 -1.94 112.91 112.04 1dxt h THR 88 Ca 0.24 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1dxt h THR 88 Cb 0.37 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1dxt h THR 88 CO -0.52 0.08 -0.10 -0.07 0.37 0.00 0.00 175.52 175.28 1dxt h LEU 89 N -0.11 0.32 0.08 2.58 3.38 -1.74 -1.29 115.31 118.53 1dxt h LEU 89 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dxt h LEU 89 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1dxt h LEU 89 CO -0.00 0.46 -0.05 -1.28 0.09 0.00 0.00 178.44 177.66 1dxt h SER 90 N 0.32 -0.14 -0.69 -0.43 0.87 0.18 -0.45 113.55 113.21 1dxt h SER 90 Ca 0.07 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1dxt h SER 90 Cb 0.39 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 1dxt h SER 90 CO 0.02 -0.09 0.43 -0.33 -0.53 0.00 0.00 176.83 176.33 1dxt h GLU 91 N -0.13 0.81 -0.22 2.24 5.08 -1.13 -1.76 114.58 119.47 1dxt h GLU 91 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1dxt h GLU 91 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1dxt h GLU 91 CO -0.00 0.54 0.14 1.25 -1.00 0.00 0.00 179.01 179.94 1dxt h LEU 92 N 0.83 0.25 -1.42 1.33 5.85 -1.00 0.12 115.31 121.27 1dxt h LEU 92 Ca 0.28 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1dxt h LEU 92 Cb 0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1dxt h LEU 92 CO -0.12 0.18 -0.25 0.45 -0.34 0.00 0.00 178.44 178.36 1dxt h HIS 93 N 0.29 0.07 0.04 1.25 3.86 -0.83 -0.88 115.15 118.95 1dxt h HIS 93 Ca 0.08 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1dxt h HIS 93 Cb -0.03 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1dxt h HIS 93 CO -0.06 0.31 -0.02 0.00 0.86 0.00 0.00 177.93 179.02 1dxt h ASP 95 N -0.67 0.85 0.00 0.00 3.32 -0.81 -2.98 116.42 116.14 1dxt h ASP 95 Ca -0.00 -0.49 -0.38 0.00 0.02 0.00 0.00 57.03 56.18 1dxt h ASP 95 Cb 0.04 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.28 1dxt h ASP 95 CO 0.01 1.18 -2.43 0.29 -1.72 0.00 0.00 179.24 176.57 1dxt n LYS 96 N -4.16 0.66 0.04 3.56 4.76 -0.44 -4.69 118.16 117.88 1dxt n LYS 96 Ca -0.04 0.12 0.03 0.00 -2.87 0.00 0.00 58.31 55.55 1dxt n LYS 96 Cb 0.53 -1.51 -0.07 0.00 -1.84 0.00 0.00 35.03 32.14 1dxt n LYS 96 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dxt n LEU 97 N -3.15 0.74 -3.64 -0.35 4.77 -0.58 -4.99 117.00 109.79 1dxt n LEU 97 Ca -0.43 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 1dxt n LEU 97 Cb 1.01 0.06 0.07 0.00 -2.33 0.00 0.00 43.42 42.22 1dxt n LEU 97 CO 0.28 0.07 0.15 1.41 -1.33 0.00 0.00 177.39 177.98 1dxt n HIS 98 N -2.78 -2.51 -3.16 -1.77 8.25 -0.39 -4.97 115.22 107.90 1dxt n HIS 98 Ca -0.08 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 57.93 1dxt n HIS 98 Cb 0.76 -4.75 -0.07 0.00 1.12 0.00 0.00 29.99 27.05 1dxt n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dxt s VAL 99 N -3.36 5.01 0.05 1.59 1.01 -0.52 -5.02 120.40 119.16 1dxt s VAL 99 Ca 0.42 0.98 -0.32 0.00 0.00 0.00 0.00 61.98 63.06 1dxt s VAL 99 Cb -0.19 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1dxt s VAL 99 CO 0.76 0.03 1.85 -0.67 0.00 0.00 0.00 175.10 177.07 1dxt n ASP 100 N 5.66 3.80 0.23 3.32 -0.08 -1.26 -4.77 116.55 123.45 1dxt n ASP 100 Ca -0.02 0.98 0.14 0.00 -1.51 0.00 0.00 54.79 54.37 1dxt n ASP 100 Cb 0.49 -1.48 0.74 0.00 2.34 0.00 0.00 41.12 43.22 1dxt n ASP 100 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dxt h PRO 101 N 8.83 0.00 -0.37 -0.67 0.11 -1.97 -1.29 132.00 136.65 1dxt h PRO 101 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1dxt h PRO 101 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1dxt h PRO 101 CO 0.94 0.00 0.25 1.49 -0.21 0.00 0.00 178.00 180.47 1dxt h GLU 102 N 0.00 0.21 -0.28 1.05 4.57 -1.99 -0.13 114.58 118.02 1dxt h GLU 102 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1dxt h GLU 102 Cb 0.16 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1dxt h GLU 102 CO 0.00 0.14 0.19 -0.91 -1.18 0.00 0.00 179.01 177.25 1dxt h ASN 103 N 0.22 0.20 -0.34 1.04 4.21 -1.60 -1.65 115.58 117.65 1dxt h ASN 103 Ca 0.17 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 1dxt h ASN 103 Cb 0.38 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1dxt h ASN 103 CO -0.03 0.14 -0.11 -0.26 -1.29 0.00 0.00 177.43 175.88 1dxt h PHE 104 N 0.23 0.85 -0.27 1.19 0.04 -1.19 -1.19 116.94 116.60 1dxt h PHE 104 Ca 0.12 -0.16 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 1dxt h PHE 104 Cb 0.18 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 1dxt h PHE 104 CO -0.00 0.85 -0.24 0.00 -0.60 0.00 0.00 178.31 178.32 1dxt h ARG 105 N 0.70 0.64 -0.07 1.51 3.08 -1.35 -1.57 114.38 117.32 1dxt h ARG 105 Ca 0.12 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1dxt h ARG 105 Cb 0.59 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1dxt h ARG 105 CO 0.04 0.92 0.05 -0.07 -1.07 0.00 0.00 179.97 179.84 1dxt h LEU 106 N 0.37 0.08 -0.78 3.04 3.38 -1.24 -1.96 115.31 118.19 1dxt h LEU 106 Ca 0.05 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1dxt h LEU 106 Cb 0.79 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1dxt h LEU 106 CO 0.06 0.06 0.49 0.25 0.09 0.00 0.00 178.44 179.40 1dxt h LEU 107 N 0.09 0.82 -0.70 1.67 5.85 -1.18 -0.72 115.31 121.14 1dxt h LEU 107 Ca 0.03 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1dxt h LEU 107 Cb -0.01 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1dxt h LEU 107 CO -0.01 0.57 0.38 1.23 -0.34 0.00 0.00 178.44 180.27 1dxt h GLY 108 N 0.97 1.04 1.11 3.75 0.00 -1.02 0.18 103.07 109.11 1dxt h GLY 108 Ca 0.31 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 1dxt h GLY 108 CO -0.11 0.13 -0.27 3.43 0.00 0.00 0.00 176.54 179.72 1dxt h ASN 109 N 0.68 1.01 -0.62 0.19 2.35 -0.56 -2.24 115.58 116.38 1dxt h ASN 109 Ca 0.33 -0.42 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1dxt h ASN 109 Cb 0.26 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1dxt h ASN 109 CO -0.21 1.21 0.20 0.58 -1.65 0.00 0.00 177.43 177.55 1dxt h VAL 110 N 0.81 1.25 -0.61 2.81 2.07 -0.81 -1.93 116.25 119.83 1dxt h VAL 110 Ca 0.09 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1dxt h VAL 110 Cb 0.86 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1dxt h VAL 110 CO 0.08 0.32 0.32 0.25 0.02 0.00 0.00 177.57 178.55 1dxt h LEU 111 N 0.89 0.45 -0.59 2.57 5.85 -0.39 -0.23 115.31 123.85 1dxt h LEU 111 Ca 0.20 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1dxt h LEU 111 Cb 0.29 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1dxt h LEU 111 CO -0.01 0.29 0.38 0.58 -0.34 0.00 0.00 178.44 179.34 1dxt h VAL 112 N 0.59 1.12 -0.59 1.05 2.07 -1.09 -0.35 116.25 119.05 1dxt h VAL 112 Ca 0.28 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1dxt h VAL 112 Cb 0.21 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1dxt h VAL 112 CO -0.20 0.14 0.34 0.00 0.02 0.00 0.00 177.57 177.88 1dxt h VAL 114 N 0.67 1.18 -0.45 0.00 2.07 -0.33 -1.06 116.25 118.33 1dxt h VAL 114 Ca 0.24 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1dxt h VAL 114 Cb 0.07 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1dxt h VAL 114 CO -0.12 0.20 0.20 -0.07 0.02 0.00 0.00 177.57 177.80 1dxt h LEU 115 N 0.60 0.61 -0.72 2.57 3.38 -0.83 0.13 115.31 121.04 1dxt h LEU 115 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dxt h LEU 115 Cb 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1dxt h LEU 115 CO -0.02 0.59 0.45 0.00 0.09 0.00 0.00 178.44 179.55 1dxt h ALA 116 N 1.04 0.92 -0.33 1.53 0.00 -0.97 0.63 119.26 122.09 1dxt h ALA 116 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dxt h ALA 116 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1dxt h ALA 116 CO -0.02 0.38 0.17 1.25 0.00 0.00 0.00 179.25 181.04 1dxt h HIS 117 N 0.98 0.45 -0.06 0.00 -0.00 -0.84 0.93 115.15 116.61 1dxt h HIS 117 Ca 0.26 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1dxt h HIS 117 Cb -0.05 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1dxt h HIS 117 CO -0.01 0.37 -0.09 1.25 -0.00 0.00 0.00 177.93 179.45 1dxt h HIS 118 N 0.40 0.21 0.00 5.26 6.17 -0.50 -3.35 115.15 123.34 1dxt h HIS 118 Ca 0.11 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1dxt h HIS 118 Cb 0.07 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 29.96 1dxt h HIS 118 CO -0.03 0.66 -0.78 1.19 0.71 0.00 0.00 177.93 179.68 1dxt n PHE 119 N -4.68 0.27 -1.76 5.26 3.72 0.19 -5.04 117.46 115.42 1dxt n PHE 119 Ca -0.08 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1dxt n PHE 119 Cb 0.33 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1dxt n PHE 119 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxt n GLY 120 N 1.40 3.22 0.34 1.37 0.00 0.32 -2.59 105.19 109.25 1dxt n GLY 120 Ca 0.03 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1dxt n GLY 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dxt h LYS 121 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.06 116.57 118.37 1dxt h LYS 121 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1dxt h LYS 121 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1dxt h LYS 121 CO 0.00 0.00 -0.17 0.93 -2.00 0.00 0.00 179.45 178.21 1dxt h GLU 122 N 0.00 0.00 -3.73 0.07 5.08 -1.89 -3.31 114.58 110.80 1dxt h GLU 122 Ca 0.08 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.70 1dxt h GLU 122 Cb 0.50 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1dxt h GLU 122 CO -0.00 0.17 2.54 0.34 -1.00 0.00 0.00 179.01 181.06 1dxt n PHE 123 N -3.58 3.21 -1.34 4.33 7.35 0.01 -4.94 117.46 122.49 1dxt n PHE 123 Ca -0.01 -2.87 -0.29 0.00 -0.76 0.00 0.00 57.45 53.51 1dxt n PHE 123 Cb 0.31 -2.23 0.13 0.00 0.35 0.00 0.00 39.48 38.04 1dxt n PHE 123 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxt s THR 124 N 1.68 2.56 0.18 -2.13 -4.23 -1.25 -4.68 115.64 107.76 1dxt s THR 124 Ca 0.43 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.94 1dxt s THR 124 Cb 0.12 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 71.29 1dxt s THR 124 CO -0.04 -0.24 1.63 -0.65 -0.54 0.00 0.00 174.62 174.78 1dxt h PRO 125 N -1.48 -0.11 -0.58 3.99 0.11 -1.93 0.17 132.00 132.16 1dxt h PRO 125 Ca -0.50 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1dxt h PRO 125 Cb 1.30 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1dxt h PRO 125 CO 0.57 -0.08 0.30 -1.35 -0.21 0.00 0.00 178.00 177.24 1dxt h PRO 126 N -0.12 0.80 -0.29 1.05 0.11 -1.99 -1.27 132.00 130.29 1dxt h PRO 126 Ca 0.21 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1dxt h PRO 126 Cb 0.44 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1dxt h PRO 126 CO -0.51 0.60 -0.06 0.28 -0.21 0.00 0.00 178.00 178.11 1dxt h VAL 127 N 0.81 1.28 -0.45 3.15 2.07 -1.59 -2.21 116.25 119.30 1dxt h VAL 127 Ca 0.21 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1dxt h VAL 127 Cb 0.04 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1dxt h VAL 127 CO -0.03 0.34 0.20 -0.61 0.02 0.00 0.00 177.57 177.49 1dxt h GLN 128 N 0.32 0.39 -0.94 1.57 4.15 -0.18 -1.59 115.11 118.83 1dxt h GLN 128 Ca 0.08 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.55 1dxt h GLN 128 Cb 0.53 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.06 1dxt h GLN 128 CO 0.03 0.26 0.59 0.00 -1.93 0.00 0.00 178.83 177.77 1dxt h ALA 129 N 1.27 1.32 -0.46 3.38 0.00 -1.09 0.27 119.26 123.95 1dxt h ALA 129 Ca 0.20 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1dxt h ALA 129 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dxt h ALA 129 CO -0.17 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.41 1dxt h ALA 130 N 1.46 0.62 -0.13 0.00 0.00 -0.89 -2.25 119.26 118.07 1dxt h ALA 130 Ca 0.42 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1dxt h ALA 130 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1dxt h ALA 130 CO -0.20 0.38 -0.31 1.88 0.00 0.00 0.00 179.25 181.00 1dxt h TYR 131 N 0.65 0.27 -0.62 0.00 0.05 -0.47 -2.23 116.97 114.62 1dxt h TYR 131 Ca 0.13 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 1dxt h TYR 131 Cb 0.45 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1dxt h TYR 131 CO 0.03 0.53 0.14 1.96 -1.05 0.00 0.00 178.16 179.78 1dxt h GLN 132 N 0.22 0.98 -0.46 4.88 1.08 -0.18 -0.47 115.11 121.15 1dxt h GLN 132 Ca 0.03 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 1dxt h GLN 132 Cb 0.66 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1dxt h GLN 132 CO 0.05 0.88 0.14 0.87 -0.95 0.00 0.00 178.83 179.82 1dxt h LYS 133 N 0.93 0.72 0.05 1.46 1.57 -0.98 -2.47 116.57 117.84 1dxt h LYS 133 Ca 0.20 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1dxt h LYS 133 Cb 0.35 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1dxt h LYS 133 CO 0.00 0.69 -0.02 0.28 -0.57 0.00 0.00 179.45 179.83 1dxt h VAL 134 N 0.61 0.99 -0.86 0.50 2.07 -0.97 -1.53 116.25 117.05 1dxt h VAL 134 Ca 0.15 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1dxt h VAL 134 Cb 0.27 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1dxt h VAL 134 CO -0.00 0.03 0.56 1.62 0.02 0.00 0.00 177.57 179.80 1dxt h VAL 135 N -0.11 1.17 -0.58 2.57 3.04 -1.09 0.96 116.25 122.21 1dxt h VAL 135 Ca -0.01 -0.38 -0.05 0.00 -1.01 0.00 0.00 66.70 65.25 1dxt h VAL 135 Cb 0.09 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.31 1dxt h VAL 135 CO 0.01 0.20 0.16 0.00 -1.01 0.00 0.00 177.57 176.94 1dxt h ALA 136 N 1.34 0.77 0.06 3.17 0.00 -1.36 -0.96 119.26 122.28 1dxt h ALA 136 Ca 0.34 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1dxt h ALA 136 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1dxt h ALA 136 CO -0.10 0.45 -0.18 0.78 0.00 0.00 0.00 179.25 180.20 1dxt h GLY 137 N 0.83 -0.29 0.96 0.00 0.00 -0.42 0.53 103.07 104.69 1dxt h GLY 137 Ca 0.19 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1dxt h GLY 137 CO -0.00 -0.17 0.01 -2.08 0.00 0.00 0.00 176.54 174.30 1dxt h VAL 138 N -0.32 1.03 -0.92 4.60 2.07 -0.73 0.14 116.25 122.12 1dxt h VAL 138 Ca 0.04 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1dxt h VAL 138 Cb 0.36 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1dxt h VAL 138 CO -0.13 0.03 0.61 0.00 0.02 0.00 0.00 177.57 178.10 1dxt h ALA 139 N 0.97 1.17 -0.56 1.67 0.00 -1.01 0.18 119.26 121.69 1dxt h ALA 139 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1dxt h ALA 139 Cb 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1dxt h ALA 139 CO -0.00 0.55 0.22 -0.91 0.00 0.00 0.00 179.25 179.11 1dxt h ASN 140 N 1.24 0.77 -0.72 0.00 2.35 -0.49 -1.87 115.58 116.85 1dxt h ASN 140 Ca 0.34 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1dxt h ASN 140 Cb -0.13 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.00 1dxt h ASN 140 CO -0.08 0.74 0.46 0.00 -1.65 0.00 0.00 177.43 176.90 1dxt h ALA 141 N 1.07 0.94 0.00 -0.83 0.00 -0.02 -2.16 119.26 118.26 1dxt h ALA 141 Ca 0.18 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1dxt h ALA 141 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dxt h ALA 141 CO -0.01 0.25 -0.33 -0.07 0.00 0.00 0.00 179.25 179.08 1dxt h LEU 142 N 0.90 0.00 0.00 0.00 3.38 -0.61 -3.06 115.31 115.92 1dxt h LEU 142 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1dxt h LEU 142 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1dxt h LEU 142 CO -0.11 0.33 -0.47 0.00 0.09 0.00 0.00 178.44 178.28 1dxt n ALA 143 N -2.29 3.42 -0.32 1.53 0.00 -0.74 -4.44 120.51 117.68 1dxt n ALA 143 Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 53.44 53.17 1dxt n ALA 143 Cb 0.47 -1.15 0.22 0.00 0.00 0.00 0.00 19.45 18.99 1dxt n ALA 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dxt h HIS 144 N 0.00 0.97 -0.45 0.00 6.17 -1.29 -2.41 115.15 118.14 1dxt h HIS 144 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1dxt h HIS 144 Cb 0.51 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1dxt h HIS 144 CO 0.00 0.34 0.00 1.63 0.71 0.00 0.00 177.93 180.61 1dxt n LYS 145 N -4.73 2.70 -2.38 5.26 4.76 -1.26 -4.93 118.16 117.58 1dxt n LYS 145 Ca 0.17 -1.89 -0.38 0.00 -2.87 0.00 0.00 58.31 53.34 1dxt n LYS 145 Cb 0.37 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1dxt n LYS 145 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dxt s TYR 146 N -1.66 3.23 0.00 2.13 1.51 -0.91 -4.74 117.35 116.90 1dxt s TYR 146 Ca 0.34 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 58.00 1dxt s TYR 146 Cb 0.21 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 1dxt s TYR 146 CO 0.18 -1.02 0.00 -2.39 -1.11 0.00 0.00 175.55 171.20