#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0k h PRO 3 N 0.00 0.21 -0.91 1.97 0.11 -2.06 0.13 132.00 131.45 3d0k h PRO 3 Ca 0.00 -0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.34 3d0k h PRO 3 Cb 0.00 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.01 3d0k h PRO 3 CO 0.00 0.14 0.63 0.00 -0.21 0.00 0.00 178.00 178.56 3d0k h ALA 4 N 1.76 2.58 0.00 -0.75 0.00 -2.06 -0.52 119.26 120.28 3d0k h ALA 4 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3d0k h ALA 4 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d0k h ALA 4 CO -0.64 -0.86 0.00 -0.44 0.00 0.00 0.00 179.25 177.31 3d0k h ASP 5 N 0.17 0.00 -2.34 0.00 3.32 -1.49 -3.45 116.42 112.62 3d0k h ASP 5 Ca 0.45 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.92 3d0k h ASP 5 Cb 1.51 0.00 0.06 0.00 0.22 0.00 0.00 39.33 41.12 3d0k h ASP 5 CO -0.09 0.00 0.76 0.18 -1.72 0.00 0.00 179.24 178.38 3d0k n LEU 6 N -2.34 3.09 -4.71 1.55 4.77 -0.20 -4.99 117.00 114.16 3d0k n LEU 6 Ca 0.03 1.09 -0.30 0.00 -0.03 0.00 0.00 56.01 56.81 3d0k n LEU 6 Cb 0.32 -1.43 0.14 0.00 -2.33 0.00 0.00 43.42 40.13 3d0k n LEU 6 CO 0.25 -0.33 0.66 0.42 -1.33 0.00 0.00 177.39 177.06 3d0k s THR 7 N 0.73 2.67 0.19 -5.08 -4.23 -1.26 -4.81 115.64 103.85 3d0k s THR 7 Ca 0.77 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 61.38 3d0k s THR 7 Cb -0.68 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 70.64 3d0k s THR 7 CO 0.40 -0.29 1.76 0.78 -0.54 0.00 0.00 174.62 176.73 3d0k h ASN 8 N -1.59 0.24 -0.81 3.99 -0.26 -1.94 -0.12 115.58 115.09 3d0k h ASN 8 Ca -0.49 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.30 3d0k h ASN 8 Cb 1.28 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 38.52 3d0k h ASN 8 CO 0.52 0.16 0.47 0.00 -1.06 0.00 0.00 177.43 177.53 3d0k h ALA 9 N 1.33 1.30 -0.40 -0.83 0.00 -1.93 -0.20 119.26 118.53 3d0k h ALA 9 Ca 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3d0k h ALA 9 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3d0k h ALA 9 CO -0.23 0.59 0.10 -0.44 0.00 0.00 0.00 179.25 179.27 3d0k h ASP 10 N 1.13 0.61 -0.30 0.00 5.19 -1.81 -1.61 116.42 119.62 3d0k h ASP 10 Ca 0.29 -0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 3d0k h ASP 10 Cb -0.02 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 3d0k h ASP 10 CO -0.05 0.68 0.10 0.03 -3.12 0.00 0.00 179.24 176.87 3d0k h ARG 11 N 0.51 0.47 -0.67 3.56 3.08 -0.70 -2.09 114.38 118.55 3d0k h ARG 11 Ca 0.13 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3d0k h ARG 11 Cb 0.30 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3d0k h ARG 11 CO 0.00 0.52 0.44 0.82 -1.07 0.00 0.00 179.97 180.68 3d0k h ILE 12 N 0.34 1.16 -0.98 2.04 2.04 -1.04 0.30 117.51 121.36 3d0k h ILE 12 Ca 0.10 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3d0k h ILE 12 Cb 0.24 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3d0k h ILE 12 CO -0.00 0.16 0.65 0.00 0.00 0.00 0.00 178.15 178.96 3d0k h ALA 13 N 1.25 1.25 -0.01 1.87 0.00 -1.12 0.55 119.26 123.06 3d0k h ALA 13 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3d0k h ALA 13 Cb -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.31 3d0k h ALA 13 CO -0.06 0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 179.72 3d0k h LEU 14 N 1.32 0.03 -0.44 0.00 3.38 -1.06 -3.27 115.31 115.27 3d0k h LEU 14 Ca 0.36 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d0k h LEU 14 Cb -0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3d0k h LEU 14 CO -0.08 0.64 -0.20 -0.62 0.09 0.00 0.00 178.44 178.27 3d0k n GLU 15 N -4.77 0.84 -0.01 1.13 1.02 0.10 -3.59 120.64 115.36 3d0k n GLU 15 Ca -0.09 -0.44 0.02 0.00 -0.02 0.00 0.00 57.16 56.63 3d0k n GLU 15 Cb 0.32 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.27 3d0k n GLU 15 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d0k n LEU 16 N -0.70 2.01 0.14 -4.62 4.77 0.17 -4.77 117.00 114.01 3d0k n LEU 16 Ca 0.13 -2.12 0.05 0.00 -0.03 0.00 0.00 56.01 54.04 3d0k n LEU 16 Cb 0.33 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3d0k n LEU 16 CO 0.25 0.52 0.40 1.23 -1.33 0.00 0.00 177.39 178.46 3d0k h GLY 17 N 0.00 0.00 -3.55 -0.72 0.00 -1.61 -3.46 103.07 93.72 3d0k h GLY 17 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 3d0k h GLY 17 CO 0.00 0.00 -0.82 0.30 0.00 0.00 0.00 176.54 176.02 3d0k s HIS 18 N -3.06 2.39 0.60 5.60 3.76 -1.26 -5.11 115.29 118.21 3d0k s HIS 18 Ca 0.03 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 54.42 3d0k s HIS 18 Cb 0.07 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.51 3d0k s HIS 18 CO 0.74 0.44 1.26 0.00 -0.85 0.00 0.00 174.74 176.33 3d0k n ALA 19 N 0.48 1.14 0.00 -1.40 0.00 -1.26 -4.72 120.51 114.74 3d0k n ALA 19 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3d0k n ALA 19 Cb 0.55 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3d0k n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d0k n GLY 20 N 0.93 0.39 3.87 0.00 0.00 0.16 -4.92 105.19 105.61 3d0k n GLY 20 Ca 0.14 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 3d0k n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d0k s ARG 21 N -0.33 3.83 0.13 1.61 0.52 -1.26 -1.19 118.95 122.26 3d0k s ARG 21 Ca 0.00 0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 55.55 3d0k s ARG 21 Cb 0.00 -2.44 0.02 0.00 0.52 0.00 0.00 34.95 33.04 3d0k s ARG 21 CO 0.00 0.07 0.35 1.21 0.02 0.00 0.00 175.30 176.94 3d0k s ASN 22 N -2.85 -0.11 -0.17 0.23 3.84 -0.68 -4.98 114.94 110.22 3d0k s ASN 22 Ca 0.51 -0.51 0.00 0.00 0.21 0.00 0.00 52.86 53.07 3d0k s ASN 22 Cb -0.10 0.45 0.03 0.00 -0.55 0.00 0.00 41.25 41.08 3d0k s ASN 22 CO 0.27 -0.86 -0.12 0.00 -2.79 0.00 0.00 177.10 173.60 3d0k s ALA 23 N -3.85 1.89 -0.27 1.71 0.00 -1.26 -0.67 121.76 119.30 3d0k s ALA 23 Ca 0.07 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 3d0k s ALA 23 Cb 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.04 3d0k s ALA 23 CO -0.09 -0.56 -0.02 0.42 0.00 0.00 0.00 175.76 175.51 3d0k s ILE 24 N 1.46 3.03 0.35 0.00 1.01 0.91 -4.94 121.20 123.03 3d0k s ILE 24 Ca 0.02 -1.14 -0.28 0.00 0.00 0.00 0.00 60.65 59.25 3d0k s ILE 24 Cb -0.14 -2.62 -0.10 0.00 0.01 0.00 0.00 42.46 39.60 3d0k s ILE 24 CO -0.10 0.06 1.33 -2.84 0.00 0.00 0.00 174.94 173.40 3d0k s PRO 25 N 1.31 4.23 -0.02 2.79 0.02 -1.26 0.01 135.00 142.08 3d0k s PRO 25 Ca -0.02 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.28 3d0k s PRO 25 Cb -0.18 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3d0k s PRO 25 CO -0.02 -0.31 -0.07 -0.47 -0.33 0.00 0.00 177.00 175.79 3d0k s TYR 26 N -1.16 0.76 -0.15 6.54 5.04 0.61 -4.88 117.35 124.11 3d0k s TYR 26 Ca 0.51 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.94 3d0k s TYR 26 Cb -0.40 -0.54 0.05 0.00 0.35 0.00 0.00 41.96 41.41 3d0k s TYR 26 CO 0.54 -0.07 0.04 -1.17 -1.34 0.00 0.00 175.55 173.54 3d0k s LEU 27 N 0.15 0.81 -0.96 6.97 1.98 -1.26 -1.72 118.68 124.65 3d0k s LEU 27 Ca -0.02 -0.54 -0.23 0.00 -2.89 0.00 0.00 54.13 50.46 3d0k s LEU 27 Cb -0.07 -0.47 0.06 0.00 0.66 0.00 0.00 46.19 46.38 3d0k s LEU 27 CO 0.00 -0.28 1.36 -0.62 -1.89 0.00 0.00 176.35 174.92 3d0k s ASP 28 N 1.96 6.47 0.48 3.68 2.15 -1.26 -4.83 116.67 125.32 3d0k s ASP 28 Ca 0.02 -1.42 0.18 0.00 0.43 0.00 0.00 52.55 51.76 3d0k s ASP 28 Cb -0.15 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.12 3d0k s ASP 28 CO -0.07 -1.47 2.06 -0.78 -0.17 0.00 0.00 175.17 174.73 3d0k h ASP 29 N 9.67 0.00 0.00 -0.34 3.58 -1.93 -1.34 116.42 126.06 3d0k h ASP 29 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3d0k h ASP 29 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 3d0k h ASP 29 CO 1.35 0.12 0.00 -0.67 -2.88 0.00 0.00 179.24 177.17 3d0k n ASP 30 N -4.23 0.00 -0.74 2.28 2.03 -1.26 -4.07 116.55 110.57 3d0k n ASP 30 Ca -0.03 0.66 0.10 0.00 0.52 0.00 0.00 54.79 56.04 3d0k n ASP 30 Cb 0.20 -0.33 0.07 0.00 -0.72 0.00 0.00 41.12 40.34 3d0k n ASP 30 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3d0k n ARG 31 N -1.50 1.69 -2.78 -0.67 1.74 -1.25 -4.59 116.66 109.30 3d0k n ARG 31 Ca 0.00 -1.57 -0.02 0.00 -0.77 0.00 0.00 57.85 55.49 3d0k n ARG 31 Cb 0.00 -1.37 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3d0k n ARG 31 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3d0k n ASN 32 N 0.96 0.95 0.11 0.55 3.02 -0.59 -4.91 115.26 115.34 3d0k n ASN 32 Ca 0.11 -2.19 0.08 0.00 -0.03 0.00 0.00 54.58 52.54 3d0k n ASN 32 Cb 0.48 -0.25 0.55 0.00 -0.61 0.00 0.00 39.78 39.94 3d0k n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d0k h ALA 33 N 2.41 1.92 0.00 5.41 0.00 -1.46 0.07 119.26 127.61 3d0k h ALA 33 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3d0k h ALA 33 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3d0k h ALA 33 CO 0.17 0.05 0.00 -3.47 0.00 0.00 0.00 179.25 176.00 3d0k n ASP 34 N -4.50 0.00 -3.42 0.00 2.03 -1.26 -4.56 116.55 104.85 3d0k n ASP 34 Ca 0.01 0.45 -0.26 0.00 0.52 0.00 0.00 54.79 55.51 3d0k n ASP 34 Cb 0.14 -0.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.97 3d0k n ASP 34 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3d0k n ARG 35 N -1.48 0.77 -0.74 -0.67 1.74 0.01 -5.09 116.66 111.20 3d0k n ARG 35 Ca 0.06 -3.51 -0.30 0.00 -0.77 0.00 0.00 57.85 53.33 3d0k n ARG 35 Cb 0.24 -1.69 0.18 0.00 -1.02 0.00 0.00 32.46 30.17 3d0k n ARG 35 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3d0k s PRO 36 N -0.72 0.57 0.37 5.56 0.04 -1.26 -4.75 135.00 134.81 3d0k s PRO 36 Ca 0.33 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 3d0k s PRO 36 Cb 0.07 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.95 3d0k s PRO 36 CO -0.16 -2.84 0.61 1.97 0.04 0.00 0.00 177.00 176.62 3d0k n PHE 37 N -4.35 -1.85 -4.87 0.56 1.16 -0.70 -4.83 117.46 102.58 3d0k n PHE 37 Ca 0.09 -2.10 -0.26 0.00 -1.87 0.00 0.00 57.45 53.31 3d0k n PHE 37 Cb 0.53 0.71 -0.16 0.00 -1.61 0.00 0.00 39.48 38.95 3d0k n PHE 37 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 3d0k s THR 38 N -2.50 1.45 -0.39 1.97 2.01 -0.94 -0.28 115.64 116.95 3d0k s THR 38 Ca 0.23 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 3d0k s THR 38 Cb -0.03 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.27 3d0k s THR 38 CO 0.17 0.41 0.37 -0.76 -0.69 0.00 0.00 174.62 174.12 3d0k s LEU 39 N -0.26 4.76 -0.36 4.42 1.43 0.10 -0.40 118.68 128.37 3d0k s LEU 39 Ca 0.03 -0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.35 3d0k s LEU 39 Cb -0.09 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.83 3d0k s LEU 39 CO 0.00 -0.46 0.66 0.20 0.23 0.00 0.00 176.35 176.99 3d0k s ASN 40 N 1.75 6.44 0.27 2.29 0.01 -0.55 -0.06 114.94 125.10 3d0k s ASN 40 Ca 0.10 0.15 0.12 0.00 -0.71 0.00 0.00 52.86 52.51 3d0k s ASN 40 Cb -0.17 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 3d0k s ASN 40 CO 0.12 -0.63 -0.19 0.42 -1.51 0.00 0.00 177.10 175.30 3d0k s THR 41 N 2.79 2.40 -0.02 1.60 -4.23 0.16 -0.46 115.64 117.87 3d0k s THR 41 Ca 0.26 -2.39 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3d0k s THR 41 Cb -0.14 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.45 3d0k s THR 41 CO 0.16 -0.42 0.02 -0.47 -0.54 0.00 0.00 174.62 173.37 3d0k s TYR 42 N -2.56 0.11 -0.21 3.99 5.04 0.13 -1.68 117.35 122.16 3d0k s TYR 42 Ca 0.29 0.10 -0.01 0.00 -2.44 0.00 0.00 57.07 55.01 3d0k s TYR 42 Cb -0.04 -0.30 0.01 0.00 0.35 0.00 0.00 41.96 41.98 3d0k s TYR 42 CO 0.14 -0.11 -0.12 0.50 -1.34 0.00 0.00 175.55 174.63 3d0k s ARG 43 N 1.12 3.03 0.69 4.97 3.52 -0.33 -1.14 118.95 130.82 3d0k s ARG 43 Ca -0.08 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.58 3d0k s ARG 43 Cb -0.13 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3d0k s ARG 43 CO -0.03 -0.27 1.06 -1.25 -0.81 0.00 0.00 175.30 174.00 3d0k s PRO 44 N 1.35 3.03 0.45 5.12 0.04 -1.26 0.36 135.00 144.09 3d0k s PRO 44 Ca 0.03 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 3d0k s PRO 44 Cb -0.15 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3d0k s PRO 44 CO -0.08 -1.02 1.36 0.71 0.04 0.00 0.00 177.00 178.01 3d0k s TYR 45 N -3.07 2.57 -0.03 0.56 2.02 -1.26 -3.02 117.35 115.12 3d0k s TYR 45 Ca 0.58 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 3d0k s TYR 45 Cb -0.13 -3.78 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 3d0k s TYR 45 CO 0.55 -2.56 0.00 0.41 -1.57 0.00 0.00 175.55 172.38 3d0k n GLY 46 N 0.62 0.47 3.75 0.71 0.00 -1.26 -4.95 105.19 104.53 3d0k n GLY 46 Ca 0.06 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3d0k n GLY 46 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d0k s TYR 47 N -1.99 3.17 0.12 1.61 6.14 -1.17 -5.04 117.35 120.20 3d0k s TYR 47 Ca 0.00 1.24 0.05 0.00 0.64 0.00 0.00 57.07 59.01 3d0k s TYR 47 Cb 0.00 -3.66 -0.04 0.00 0.42 0.00 0.00 41.96 38.69 3d0k s TYR 47 CO 0.00 -2.00 -0.13 0.95 0.64 0.00 0.00 175.55 175.01 3d0k s THR 48 N -0.27 1.26 -0.43 4.34 -4.23 -1.26 -5.06 115.64 109.99 3d0k s THR 48 Ca 0.55 -1.71 0.20 0.00 -1.18 0.00 0.00 61.69 59.55 3d0k s THR 48 Cb -0.38 -1.51 0.20 0.00 1.34 0.00 0.00 72.50 72.15 3d0k s THR 48 CO 0.43 -0.45 1.61 -0.81 -0.54 0.00 0.00 174.62 174.86 3d0k n PRO 49 N 0.52 0.14 0.03 3.99 -0.04 -1.26 -1.24 135.00 137.14 3d0k n PRO 49 Ca -0.15 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 3d0k n PRO 49 Cb 0.57 -1.86 0.52 0.00 -0.04 0.00 0.00 33.50 32.69 3d0k n PRO 49 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d0k n ASP 50 N -2.14 0.29 -4.87 3.54 5.75 -1.26 -0.61 116.55 117.25 3d0k n ASP 50 Ca 0.00 0.46 -0.31 0.00 -0.01 0.00 0.00 54.79 54.94 3d0k n ASP 50 Cb 0.12 -0.51 0.03 0.00 -1.03 0.00 0.00 41.12 39.72 3d0k n ASP 50 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3d0k s ARG 51 N -3.03 3.28 0.79 0.11 1.81 -0.38 -4.90 118.95 116.64 3d0k s ARG 51 Ca 0.13 0.69 -0.12 0.00 -1.72 0.00 0.00 55.73 54.71 3d0k s ARG 51 Cb 0.17 -2.05 0.07 0.00 -0.45 0.00 0.00 34.95 32.69 3d0k s ARG 51 CO 0.57 -0.78 1.13 -2.14 -0.68 0.00 0.00 175.30 173.39 3d0k s PRO 52 N -5.21 1.95 -0.09 3.54 0.02 -1.26 -4.82 135.00 129.12 3d0k s PRO 52 Ca 0.56 1.41 0.04 0.00 0.02 0.00 0.00 61.00 63.03 3d0k s PRO 52 Cb -0.11 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 3d0k s PRO 52 CO 0.54 -1.91 -0.23 0.08 -0.33 0.00 0.00 177.00 175.15 3d0k s VAL 53 N -2.60 1.96 -0.21 3.83 1.01 -0.97 -1.65 120.40 121.76 3d0k s VAL 53 Ca 0.66 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3d0k s VAL 53 Cb -0.21 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3d0k s VAL 53 CO 0.53 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 175.41 3d0k s VAL 54 N 0.29 3.17 -0.17 2.92 1.01 0.44 -0.48 120.40 127.58 3d0k s VAL 54 Ca -0.16 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3d0k s VAL 54 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3d0k s VAL 54 CO 0.08 0.44 0.34 -0.69 0.00 0.00 0.00 175.10 175.27 3d0k s VAL 55 N 1.42 5.26 -0.12 2.92 1.01 0.10 -1.37 120.40 129.63 3d0k s VAL 55 Ca 0.05 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3d0k s VAL 55 Cb -0.14 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3d0k s VAL 55 CO -0.05 0.34 -0.21 -0.69 0.00 0.00 0.00 175.10 174.49 3d0k s VAL 56 N 0.76 1.94 -0.19 2.92 1.01 0.05 -0.87 120.40 126.02 3d0k s VAL 56 Ca 0.18 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3d0k s VAL 56 Cb -0.14 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3d0k s VAL 56 CO 0.06 0.53 -0.08 -1.10 0.00 0.00 0.00 175.10 174.51 3d0k s GLN 57 N 0.63 3.36 0.91 2.72 -1.52 0.33 -3.94 119.66 122.15 3d0k s GLN 57 Ca -0.12 -0.65 -0.11 0.00 -1.95 0.00 0.00 55.36 52.52 3d0k s GLN 57 Cb -0.16 -2.87 0.14 0.00 -0.22 0.00 0.00 33.01 29.90 3d0k s GLN 57 CO 0.03 -0.07 1.10 -3.38 -0.25 0.00 0.00 175.29 172.71 3d0k s HIS 58 N 1.12 2.11 0.00 0.91 -3.43 -1.26 -2.45 115.29 112.28 3d0k s HIS 58 Ca 0.01 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.70 3d0k s HIS 58 Cb -0.14 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 27.84 3d0k s HIS 58 CO -0.02 -2.54 0.00 0.41 -2.00 0.00 0.00 174.74 170.59 3d0k n GLY 59 N -0.63 1.36 0.27 -1.38 0.00 -1.19 -1.83 105.19 101.79 3d0k n GLY 59 Ca 0.08 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.62 3d0k n GLY 59 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3d0k h VAL 60 N 0.00 0.25 0.00 1.61 3.04 -1.93 -2.16 116.25 117.05 3d0k h VAL 60 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3d0k h VAL 60 Cb 0.00 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3d0k h VAL 60 CO 0.00 0.08 0.00 0.18 -1.01 0.00 0.00 177.57 176.82 3d0k n LEU 61 N -3.26 0.06 -2.13 3.16 4.77 -1.26 -4.89 117.00 113.44 3d0k n LEU 61 Ca -0.00 0.51 -0.18 0.00 -0.03 0.00 0.00 56.01 56.30 3d0k n LEU 61 Cb 0.31 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3d0k n LEU 61 CO 0.29 -0.11 -0.21 0.54 -1.33 0.00 0.00 177.39 176.56 3d0k n ARG 62 N -1.56 -1.72 -2.53 3.23 5.12 -0.81 -4.89 116.66 113.50 3d0k n ARG 62 Ca 0.06 0.88 -0.42 0.00 -1.93 0.00 0.00 57.85 56.43 3d0k n ARG 62 Cb 0.28 -5.40 0.01 0.00 -1.16 0.00 0.00 32.46 26.19 3d0k n ARG 62 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3d0k n ASN 63 N -1.53 6.26 -0.16 0.55 6.94 -1.26 -4.77 115.26 121.29 3d0k n ASN 63 Ca -0.21 -3.28 0.01 0.00 -0.02 0.00 0.00 54.58 51.08 3d0k n ASN 63 Cb 0.66 -1.36 0.27 0.00 -2.36 0.00 0.00 39.78 37.00 3d0k n ASN 63 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3d0k h GLY 64 N 6.29 0.94 1.34 4.83 0.00 -1.91 -1.57 103.07 112.98 3d0k h GLY 64 Ca 0.40 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3d0k h GLY 64 CO 1.46 0.36 0.04 0.00 0.00 0.00 0.00 176.54 178.40 3d0k h ALA 65 N 1.55 1.12 -0.35 3.60 0.00 -1.90 0.82 119.26 124.10 3d0k h ALA 65 Ca 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3d0k h ALA 65 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d0k h ALA 65 CO -0.05 0.57 -0.05 -0.44 0.00 0.00 0.00 179.25 179.28 3d0k h ASP 66 N 0.77 0.66 -0.36 0.00 3.32 -1.83 -1.54 116.42 117.43 3d0k h ASP 66 Ca 0.15 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 3d0k h ASP 66 Cb 0.41 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3d0k h ASP 66 CO 0.01 0.85 -0.17 1.88 -1.72 0.00 0.00 179.24 180.09 3d0k h TYR 67 N 0.46 0.94 -0.52 4.55 0.05 -0.88 -1.53 116.97 120.04 3d0k h TYR 67 Ca 0.09 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 58.71 3d0k h TYR 67 Cb 0.54 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 3d0k h TYR 67 CO 0.05 0.94 0.28 -0.09 -1.05 0.00 0.00 178.16 178.29 3d0k h ARG 68 N 0.74 0.53 -0.97 4.88 1.12 -0.72 -2.43 114.38 117.53 3d0k h ARG 68 Ca 0.11 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 58.97 3d0k h ARG 68 Cb 0.69 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.48 3d0k h ARG 68 CO 0.05 0.35 0.64 -0.44 -3.11 0.00 0.00 179.97 177.46 3d0k h ASP 69 N 0.54 1.08 -0.38 -3.80 3.32 -0.75 -2.47 116.42 113.97 3d0k h ASP 69 Ca 0.22 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.35 3d0k h ASP 69 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3d0k h ASP 69 CO -0.14 0.76 0.27 -0.26 -1.72 0.00 0.00 179.24 178.15 3d0k h PHE 70 N 1.27 0.07 -0.01 4.55 0.04 -0.78 -2.40 116.94 119.67 3d0k h PHE 70 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 3d0k h PHE 70 Cb -0.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3d0k h PHE 70 CO -0.00 0.03 -0.10 0.91 -0.60 0.00 0.00 178.31 178.55 3d0k n TRP 71 N -4.44 0.00 -0.08 -0.55 7.02 -0.94 -4.45 117.44 114.00 3d0k n TRP 71 Ca 0.06 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 3d0k n TRP 71 Cb 0.41 -0.05 -0.02 0.00 -2.42 0.00 0.00 31.31 29.23 3d0k n TRP 71 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3d0k h ILE 72 N 2.00 1.09 -0.95 -0.99 2.04 -1.39 -0.19 117.51 119.12 3d0k h ILE 72 Ca 0.00 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3d0k h ILE 72 Cb 0.52 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3d0k h ILE 72 CO 0.00 0.09 0.61 -0.65 0.00 0.00 0.00 178.15 178.20 3d0k h PRO 73 N 0.37 1.10 -0.50 2.37 0.11 -1.80 0.64 132.00 134.30 3d0k h PRO 73 Ca 0.10 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 3d0k h PRO 73 Cb -0.01 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 3d0k h PRO 73 CO -0.02 0.73 -0.11 0.00 -0.21 0.00 0.00 178.00 178.39 3d0k h ALA 74 N 1.42 0.69 -0.78 -0.75 0.00 -1.81 -2.28 119.26 115.74 3d0k h ALA 74 Ca 0.40 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3d0k h ALA 74 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3d0k h ALA 74 CO -0.15 0.59 0.31 0.00 0.00 0.00 0.00 179.25 180.00 3d0k h ALA 75 N 0.90 1.02 -0.34 0.00 0.00 -0.26 0.10 119.26 120.67 3d0k h ALA 75 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3d0k h ALA 75 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3d0k h ALA 75 CO 0.05 0.65 -0.00 -0.44 0.00 0.00 0.00 179.25 179.50 3d0k h ASP 76 N 1.14 0.59 0.41 0.00 3.32 -0.88 0.16 116.42 121.15 3d0k h ASP 76 Ca 0.26 -0.31 -0.21 0.00 0.02 0.00 0.00 57.03 56.79 3d0k h ASP 76 Cb 0.22 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3d0k h ASP 76 CO -0.02 0.75 -0.89 -0.09 -1.72 0.00 0.00 179.24 177.27 3d0k h ARG 77 N 0.40 0.34 -0.11 3.56 1.12 -1.13 -3.32 114.38 115.24 3d0k h ARG 77 Ca 0.10 -0.35 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 3d0k h ARG 77 Cb 0.45 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 3d0k h ARG 77 CO 0.02 1.03 0.00 0.72 -3.11 0.00 0.00 179.97 178.63 3d0k n HIS 78 N -3.73 0.12 -3.40 2.20 8.25 0.32 -5.01 115.22 113.98 3d0k n HIS 78 Ca -0.05 -0.12 -0.20 0.00 -0.26 0.00 0.00 57.72 57.09 3d0k n HIS 78 Cb 0.81 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.97 3d0k n HIS 78 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3d0k n LYS 79 N 0.71 -1.84 -4.10 -0.41 4.76 0.48 -4.87 118.16 112.89 3d0k n LYS 79 Ca 0.09 0.75 -0.36 0.00 -2.87 0.00 0.00 58.31 55.92 3d0k n LYS 79 Cb 0.35 -5.20 -0.08 0.00 -1.84 0.00 0.00 35.03 28.26 3d0k n LYS 79 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d0k s LEU 80 N -5.72 3.99 -0.23 -0.35 1.43 -0.75 -4.27 118.68 112.78 3d0k s LEU 80 Ca 0.45 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.59 3d0k s LEU 80 Cb -0.10 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3d0k s LEU 80 CO 0.78 0.37 0.84 -0.22 0.23 0.00 0.00 176.35 178.35 3d0k s LEU 81 N -0.80 4.10 -0.21 1.79 2.96 -0.66 -4.30 118.68 121.56 3d0k s LEU 81 Ca 0.13 1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 55.01 3d0k s LEU 81 Cb -0.12 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.32 3d0k s LEU 81 CO 0.03 -0.50 0.14 -0.63 -1.32 0.00 0.00 176.35 174.06 3d0k s ILE 82 N 2.74 5.38 -0.10 6.68 -1.09 -0.29 -0.42 121.20 134.09 3d0k s ILE 82 Ca 0.36 0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 3d0k s ILE 82 Cb -0.15 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3d0k s ILE 82 CO 0.08 0.41 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.46 3d0k s VAL 83 N 0.55 0.88 -0.46 2.92 1.01 -0.47 -0.70 120.40 124.13 3d0k s VAL 83 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3d0k s VAL 83 Cb -0.12 -0.94 0.12 0.00 0.00 0.00 0.00 36.38 35.45 3d0k s VAL 83 CO -0.00 0.34 0.22 0.00 0.00 0.00 0.00 175.10 175.66 3d0k s ALA 84 N 1.77 3.21 0.01 5.51 0.00 0.39 -0.77 121.76 131.88 3d0k s ALA 84 Ca 0.05 -2.91 -0.30 0.00 0.00 0.00 0.00 51.96 48.80 3d0k s ALA 84 Cb -0.13 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 3d0k s ALA 84 CO -0.08 -1.89 1.80 -2.14 0.00 0.00 0.00 175.76 173.45 3d0k s PRO 85 N 0.38 4.16 -0.19 0.00 0.02 -1.25 -1.48 135.00 136.64 3d0k s PRO 85 Ca 0.14 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3d0k s PRO 85 Cb -0.22 -3.97 0.02 0.00 0.02 0.00 0.00 34.50 30.34 3d0k s PRO 85 CO -0.04 -0.87 -0.17 0.99 -0.33 0.00 0.00 177.00 176.58 3d0k s THR 86 N 3.91 2.26 -0.36 0.99 2.01 0.46 -4.65 115.64 120.25 3d0k s THR 86 Ca 0.80 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 3d0k s THR 86 Cb -0.39 -2.00 0.06 0.00 0.01 0.00 0.00 72.50 70.18 3d0k s THR 86 CO 0.35 0.47 0.14 -0.36 -0.69 0.00 0.00 174.62 174.53 3d0k s PHE 87 N 1.30 3.31 0.60 4.92 0.08 -1.26 -2.21 117.98 124.72 3d0k s PHE 87 Ca 0.04 -1.60 -0.17 0.00 0.12 0.00 0.00 56.93 55.32 3d0k s PHE 87 Cb -0.14 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 3d0k s PHE 87 CO -0.11 -0.79 1.11 -1.54 -0.10 0.00 0.00 175.22 173.79 3d0k s SER 88 N 1.60 5.46 0.27 1.36 1.04 -1.26 -4.81 113.70 117.36 3d0k s SER 88 Ca 0.00 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 58.42 3d0k s SER 88 Cb -0.21 -2.56 0.33 0.00 0.10 0.00 0.00 66.02 63.68 3d0k s SER 88 CO 0.01 -1.39 1.93 0.44 0.98 0.00 0.00 173.24 175.21 3d0k h ASP 89 N 0.55 1.05 -0.56 7.02 3.45 -1.93 0.34 116.42 126.35 3d0k h ASP 89 Ca -0.48 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 56.92 3d0k h ASP 89 Cb 1.25 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.73 3d0k h ASP 89 CO 0.56 0.79 0.30 -0.08 -1.57 0.00 0.00 179.24 179.24 3d0k h GLU 90 N 1.23 0.78 0.01 3.56 4.81 -2.00 -2.97 114.58 119.99 3d0k h GLU 90 Ca 0.32 -0.09 -0.33 0.00 -0.13 0.00 0.00 59.36 59.13 3d0k h GLU 90 Cb -0.09 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.08 3d0k h GLU 90 CO -0.06 0.60 -2.00 -0.89 -0.73 0.00 0.00 179.01 175.93 3d0k n ILE 91 N -4.60 1.55 -3.21 2.32 2.08 -1.16 -4.51 119.36 111.83 3d0k n ILE 91 Ca 0.03 -0.79 -0.25 0.00 0.56 0.00 0.00 62.75 62.30 3d0k n ILE 91 Cb 0.09 -0.94 -0.06 0.00 -0.75 0.00 0.00 39.64 37.98 3d0k n ILE 91 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 3d0k n TRP 92 N -3.00 2.67 -2.24 1.39 7.02 0.10 -4.92 117.44 118.46 3d0k n TRP 92 Ca -0.25 -3.97 -0.40 0.00 -1.02 0.00 0.00 57.50 51.86 3d0k n TRP 92 Cb 1.08 -0.49 -0.03 0.00 -2.42 0.00 0.00 31.31 29.46 3d0k n TRP 92 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3d0k s PRO 93 N -2.55 4.40 0.00 -0.99 0.04 -1.12 -4.47 135.00 130.31 3d0k s PRO 93 Ca 0.42 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3d0k s PRO 93 Cb 0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3d0k s PRO 93 CO -0.07 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.29 3d0k n GLY 94 N 0.90 -1.45 0.24 0.56 0.00 -1.26 -3.33 105.19 100.85 3d0k n GLY 94 Ca 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.56 3d0k n GLY 94 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3d0k h VAL 95 N 0.00 0.58 -0.20 1.61 -1.51 -1.97 -2.70 116.25 112.05 3d0k h VAL 95 Ca 0.00 -0.82 -0.07 0.00 -1.23 0.00 0.00 66.70 64.58 3d0k h VAL 95 Cb 0.00 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 3d0k h VAL 95 CO 0.00 0.17 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.02 3d0k h GLU 96 N 0.00 0.34 0.03 5.19 3.07 -1.95 0.14 114.58 121.39 3d0k h GLU 96 Ca -0.00 -0.10 -0.29 0.00 -0.50 0.00 0.00 59.36 58.47 3d0k h GLU 96 Cb 0.53 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 3d0k h GLU 96 CO 0.02 0.51 -1.61 0.77 -1.40 0.00 0.00 179.01 177.30 3d0k h SER 97 N 0.32 0.09 0.00 1.42 0.02 -1.48 -1.17 113.55 112.74 3d0k h SER 97 Ca 0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3d0k h SER 97 Cb 0.49 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3d0k h SER 97 CO 0.03 1.14 0.00 0.00 -1.14 0.00 0.00 176.83 176.86 3d0k n TYR 98 N -3.18 0.00 -0.26 3.45 9.36 -1.16 -4.07 117.16 121.30 3d0k n TYR 98 Ca -0.16 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.13 3d0k n TYR 98 Cb 1.03 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.94 3d0k n TYR 98 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3d0k h ASN 99 N 0.00 -0.10 -0.10 2.98 4.21 -1.73 -1.94 115.58 118.89 3d0k h ASN 99 Ca 0.00 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3d0k h ASN 99 Cb 0.00 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3d0k h ASN 99 CO 0.00 -0.11 0.00 0.59 -1.29 0.00 0.00 177.43 176.62 3d0k n ASN 100 N -5.23 2.04 -1.27 5.81 5.03 0.45 -4.15 115.26 117.94 3d0k n ASN 100 Ca 0.16 -1.71 -0.17 0.00 0.87 0.00 0.00 54.58 53.73 3d0k n ASN 100 Cb 0.52 -0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 39.15 3d0k n ASN 100 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d0k n GLY 101 N 1.23 1.66 4.17 7.41 0.00 -0.73 -2.79 105.19 116.13 3d0k n GLY 101 Ca 0.17 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3d0k n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d0k n ARG 102 N -2.51 -3.00 0.21 1.61 1.74 -0.44 -0.54 116.66 113.72 3d0k n ARG 102 Ca -0.17 0.36 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 3d0k n ARG 102 Cb 0.54 -4.84 0.59 0.00 -1.02 0.00 0.00 32.46 27.73 3d0k n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d0k h ALA 103 N 0.89 1.93 -3.32 7.54 0.00 -1.76 -3.44 119.26 121.10 3d0k h ALA 103 Ca -0.61 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 3d0k h ALA 103 Cb 1.38 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 3d0k h ALA 103 CO 0.74 0.06 -0.65 -0.06 0.00 0.00 0.00 179.25 179.34 3d0k s PHE 104 N -5.15 3.02 0.88 0.00 0.40 -1.26 -0.88 117.98 114.99 3d0k s PHE 104 Ca -0.06 -0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.14 3d0k s PHE 104 Cb 0.17 -1.55 0.12 0.00 0.51 0.00 0.00 43.02 42.27 3d0k s PHE 104 CO 0.68 0.49 1.13 0.95 0.70 0.00 0.00 175.22 179.17 3d0k s THR 105 N -1.32 2.22 0.27 0.64 -4.23 0.35 -4.78 115.64 108.78 3d0k s THR 105 Ca 0.26 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 3d0k s THR 105 Cb -0.12 -2.85 0.26 0.00 1.34 0.00 0.00 72.50 71.13 3d0k s THR 105 CO 0.19 -0.09 1.82 0.00 -0.54 0.00 0.00 174.62 176.00 3d0k h ALA 106 N -1.37 1.39 0.00 3.99 0.00 -2.00 0.20 119.26 121.47 3d0k h ALA 106 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3d0k h ALA 106 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3d0k h ALA 106 CO 0.62 0.17 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3d0k n ALA 107 N -2.36 2.43 -0.59 0.00 0.00 -1.26 -4.86 120.51 113.87 3d0k n ALA 107 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3d0k n ALA 107 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3d0k n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d0k n GLY 108 N 0.70 0.66 3.93 0.00 0.00 0.71 -5.07 105.19 106.11 3d0k n GLY 108 Ca 0.18 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3d0k n GLY 108 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d0k s ASN 109 N -2.39 6.15 0.15 1.61 0.02 -1.26 -4.80 114.94 114.41 3d0k s ASN 109 Ca 0.00 0.62 -0.30 0.00 -1.02 0.00 0.00 52.86 52.15 3d0k s ASN 109 Cb 0.00 -2.00 -0.08 0.00 0.02 0.00 0.00 41.25 39.20 3d0k s ASN 109 CO 0.00 -0.53 1.25 -2.84 0.02 0.00 0.00 177.10 175.01 3d0k s PRO 110 N -4.57 4.43 0.44 -0.60 0.02 -1.26 -0.50 135.00 132.96 3d0k s PRO 110 Ca 0.45 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 63.18 3d0k s PRO 110 Cb -0.10 -3.26 -0.09 0.00 0.02 0.00 0.00 34.50 31.07 3d0k s PRO 110 CO 0.40 -0.22 1.02 0.50 -0.33 0.00 0.00 177.00 178.37 3d0k s ARG 111 N 0.32 4.03 0.40 5.54 3.52 -0.06 -4.77 118.95 127.94 3d0k s ARG 111 Ca 0.57 1.36 -0.26 0.00 -0.13 0.00 0.00 55.73 57.27 3d0k s ARG 111 Cb -0.33 -2.29 -0.10 0.00 -1.56 0.00 0.00 34.95 30.67 3d0k s ARG 111 CO 0.34 -0.23 1.32 1.58 -0.81 0.00 0.00 175.30 177.49 3d0k n HIS 112 N -0.55 2.32 0.23 5.12 -0.00 -1.26 -4.87 115.22 116.21 3d0k n HIS 112 Ca 0.07 0.50 0.07 0.00 -0.00 0.00 0.00 57.72 58.37 3d0k n HIS 112 Cb 0.52 -2.41 0.56 0.00 -0.00 0.00 0.00 29.99 28.66 3d0k n HIS 112 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 3d0k h VAL 113 N 2.30 0.95 -0.00 3.57 -1.51 -1.93 0.82 116.25 120.44 3d0k h VAL 113 Ca -0.48 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 3d0k h VAL 113 Cb 1.28 1.40 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3d0k h VAL 113 CO 0.61 0.19 0.04 0.44 -1.23 0.00 0.00 177.57 177.61 3d0k h ASP 114 N 0.00 0.00 0.04 4.19 5.19 -1.93 -2.50 116.42 121.41 3d0k h ASP 114 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3d0k h ASP 114 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3d0k h ASP 114 CO 0.02 0.00 -0.49 0.61 -3.12 0.00 0.00 179.24 176.26 3d0k n GLY 115 N -1.12 -0.20 3.78 2.75 0.00 0.28 -4.77 105.19 105.91 3d0k n GLY 115 Ca -0.03 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3d0k n GLY 115 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d0k s TRP 116 N -2.54 2.76 0.42 1.61 0.52 -0.94 -4.91 118.94 115.86 3d0k s TRP 116 Ca 0.18 1.54 0.16 0.00 0.02 0.00 0.00 56.10 58.00 3d0k s TRP 116 Cb 0.18 -3.15 1.05 0.00 -1.15 0.00 0.00 33.47 30.40 3d0k s TRP 116 CO 0.59 -1.43 1.90 1.15 0.02 0.00 0.00 176.95 179.19 3d0k h THR 117 N 0.62 0.77 0.00 2.01 2.02 -1.12 -1.71 112.91 115.49 3d0k h THR 117 Ca -0.48 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 3d0k h THR 117 Cb 1.24 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3d0k h THR 117 CO 0.56 0.08 -0.18 1.88 0.37 0.00 0.00 175.52 178.23 3d0k h TYR 118 N 0.43 0.00 0.00 3.16 0.99 -1.91 -2.08 116.97 117.55 3d0k h TYR 118 Ca 0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.13 3d0k h TYR 118 Cb 0.93 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.66 3d0k h TYR 118 CO -0.00 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.34 3d0k h ALA 119 N 1.82 1.00 0.00 3.88 0.00 -1.56 -2.64 119.26 121.77 3d0k h ALA 119 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3d0k h ALA 119 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3d0k h ALA 119 CO 0.02 0.00 -0.36 -0.07 0.00 0.00 0.00 179.25 178.84 3d0k h LEU 120 N 0.00 0.00 0.51 0.00 3.38 -1.51 -2.96 115.31 114.72 3d0k h LEU 120 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3d0k h LEU 120 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3d0k h LEU 120 CO 0.00 0.36 -0.37 0.58 0.09 0.00 0.00 178.44 179.10 3d0k h VAL 121 N 0.00 0.25 -0.66 1.22 2.07 -1.66 -0.09 116.25 117.38 3d0k h VAL 121 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 3d0k h VAL 121 Cb 0.74 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3d0k h VAL 121 CO 0.05 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.08 3d0k h ALA 122 N -0.49 2.00 -0.38 1.67 0.00 -1.75 -0.73 119.26 119.57 3d0k h ALA 122 Ca -0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3d0k h ALA 122 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3d0k h ALA 122 CO 0.02 -0.15 -0.34 0.00 0.00 0.00 0.00 179.25 178.78 3d0k h ARG 123 N 0.46 0.90 -0.44 0.00 2.47 -1.23 0.04 114.38 116.58 3d0k h ARG 123 Ca 0.31 -0.46 0.01 0.00 -1.26 0.00 0.00 59.98 58.58 3d0k h ARG 123 Cb 0.59 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 3d0k h ARG 123 CO -0.09 1.11 0.29 0.28 0.56 0.00 0.00 179.97 182.11 3d0k h VAL 124 N 0.71 1.10 -0.52 2.04 2.07 -0.56 -1.82 116.25 119.27 3d0k h VAL 124 Ca 0.06 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3d0k h VAL 124 Cb 0.93 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3d0k h VAL 124 CO 0.09 0.11 0.02 -0.07 0.02 0.00 0.00 177.57 177.74 3d0k h LEU 125 N 0.58 0.82 -1.22 2.57 3.38 -0.93 -0.51 115.31 120.00 3d0k h LEU 125 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d0k h LEU 125 Cb -0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3d0k h LEU 125 CO -0.04 0.87 0.48 0.00 0.09 0.00 0.00 178.44 179.84 3d0k h ALA 126 N 1.22 1.42 -0.09 1.53 0.00 -0.66 -0.95 119.26 121.73 3d0k h ALA 126 Ca 0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3d0k h ALA 126 Cb 0.45 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3d0k h ALA 126 CO 0.02 0.52 -0.76 -0.91 0.00 0.00 0.00 179.25 178.11 3d0k h ASN 127 N 1.03 0.61 -0.45 0.00 2.35 -0.65 0.73 115.58 119.20 3d0k h ASN 127 Ca 0.27 -0.41 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3d0k h ASN 127 Cb -0.08 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 3d0k h ASN 127 CO -0.06 1.17 0.26 0.40 -1.65 0.00 0.00 177.43 177.55 3d0k h ILE 128 N 0.34 1.03 -0.46 2.81 2.04 -0.73 0.12 117.51 122.67 3d0k h ILE 128 Ca -0.04 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3d0k h ILE 128 Cb 1.36 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3d0k h ILE 128 CO 0.14 0.10 0.25 0.03 0.00 0.00 0.00 178.15 178.66 3d0k h ARG 129 N 0.52 0.65 -0.85 2.37 3.08 -1.04 -2.46 114.38 116.66 3d0k h ARG 129 Ca 0.18 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3d0k h ARG 129 Cb 0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3d0k h ARG 129 CO -0.09 0.53 0.55 0.00 -1.07 0.00 0.00 179.97 179.88 3d0k h ALA 130 N 1.09 1.37 0.00 0.04 0.00 -0.57 -0.10 119.26 121.09 3d0k h ALA 130 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d0k h ALA 130 Cb 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3d0k h ALA 130 CO -0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3d0k n ALA 131 N -2.41 2.07 -2.24 0.00 0.00 0.40 -4.87 120.51 113.46 3d0k n ALA 131 Ca 0.09 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3d0k n ALA 131 Cb 0.03 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 3d0k n ALA 131 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d0k n GLU 132 N -1.27 -1.64 0.07 0.00 1.02 -0.05 -4.66 120.64 114.12 3d0k n GLU 132 Ca 0.10 1.06 -0.21 0.00 -0.02 0.00 0.00 57.16 58.08 3d0k n GLU 132 Cb 0.15 -5.67 -0.13 0.00 -0.02 0.00 0.00 31.44 25.77 3d0k n GLU 132 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3d0k h ILE 133 N 0.00 1.34 -3.09 -3.67 1.08 -1.67 -3.47 117.51 108.04 3d0k h ILE 133 Ca -0.48 -2.42 -0.15 0.00 -0.39 0.00 0.00 64.86 61.41 3d0k h ILE 133 Cb 1.37 2.79 -0.24 0.00 -3.07 0.00 0.00 36.82 37.67 3d0k h ILE 133 CO 0.59 0.72 -0.37 0.00 -0.69 0.00 0.00 178.15 178.40 3d0k s ALA 134 N -2.90 -0.68 0.36 1.87 0.00 -1.24 -4.16 121.76 115.00 3d0k s ALA 134 Ca -0.11 0.63 0.21 0.00 0.00 0.00 0.00 51.96 52.70 3d0k s ALA 134 Cb 0.04 -0.31 1.11 0.00 0.00 0.00 0.00 23.12 23.96 3d0k s ALA 134 CO 0.90 -0.16 1.95 -0.44 0.00 0.00 0.00 175.76 178.01 3d0k h ASP 135 N 5.23 0.00 -4.39 0.00 3.32 -1.19 -3.30 116.42 116.09 3d0k h ASP 135 Ca -0.27 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.38 3d0k h ASP 135 Cb 1.19 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.77 3d0k h ASP 135 CO 0.35 0.22 -0.58 0.00 -1.72 0.00 0.00 179.24 177.51 3d0k h GLU 137 N -1.08 0.00 -2.80 0.00 4.81 -1.90 -3.41 114.58 110.19 3d0k h GLU 137 Ca -0.50 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.12 3d0k h GLU 137 Cb 1.35 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.33 3d0k h GLU 137 CO 0.56 0.40 -0.73 -1.14 -0.73 0.00 0.00 179.01 177.37 3d0k s GLN 138 N -2.97 1.86 -0.15 1.92 0.74 -1.26 -4.80 119.66 115.00 3d0k s GLN 138 Ca 0.02 -2.87 -0.04 0.00 0.05 0.00 0.00 55.36 52.52 3d0k s GLN 138 Cb 0.08 -2.65 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 3d0k s GLN 138 CO 0.77 -1.33 -0.03 0.08 -0.55 0.00 0.00 175.29 174.23 3d0k s VAL 139 N -0.88 3.98 -0.09 1.34 1.01 -1.26 -2.30 120.40 122.20 3d0k s VAL 139 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3d0k s VAL 139 Cb -0.01 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3d0k s VAL 139 CO -0.18 0.50 -0.04 -0.31 0.00 0.00 0.00 175.10 175.07 3d0k s TYR 140 N 0.23 3.02 -0.15 5.22 1.51 0.36 -0.16 117.35 127.39 3d0k s TYR 140 Ca -0.02 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3d0k s TYR 140 Cb -0.14 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 3d0k s TYR 140 CO 0.03 0.30 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.43 3d0k s LEU 141 N -0.60 1.87 0.03 -1.29 2.96 -0.05 0.03 118.68 121.62 3d0k s LEU 141 Ca 0.09 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3d0k s LEU 141 Cb -0.12 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3d0k s LEU 141 CO 0.02 -0.02 -0.18 0.12 -1.32 0.00 0.00 176.35 174.97 3d0k s PHE 142 N 1.30 1.57 -0.06 5.38 5.36 -0.05 -0.65 117.98 130.82 3d0k s PHE 142 Ca 0.02 -0.35 -0.11 0.00 -0.96 0.00 0.00 56.93 55.53 3d0k s PHE 142 Cb -0.13 -0.95 0.02 0.00 -0.34 0.00 0.00 43.02 41.62 3d0k s PHE 142 CO -0.10 0.05 0.28 0.20 -1.46 0.00 0.00 175.22 174.20 3d0k s GLY 143 N -1.01 -0.17 -0.03 13.12 0.00 -0.98 -0.51 107.32 117.74 3d0k s GLY 143 Ca 0.05 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.39 3d0k s GLY 143 CO 0.01 0.40 -0.24 -1.58 0.00 0.00 0.00 173.10 171.69 3d0k s HIS 144 N -0.53 2.41 0.00 1.90 2.46 -1.03 -0.76 115.29 119.75 3d0k s HIS 144 Ca -0.06 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.05 3d0k s HIS 144 Cb -0.04 -1.54 0.00 0.00 -0.13 0.00 0.00 32.58 30.88 3d0k s HIS 144 CO 0.02 -0.02 0.00 0.45 -2.47 0.00 0.00 174.74 172.72 3d0k n SER 145 N 2.47 0.00 0.16 9.88 2.88 -0.09 -1.23 113.62 127.70 3d0k n SER 145 Ca -0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.52 3d0k n SER 145 Cb 0.51 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.69 3d0k n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d0k h ALA 146 N -0.97 2.09 0.00 -1.46 0.00 -1.86 0.20 119.26 117.27 3d0k h ALA 146 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3d0k h ALA 146 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3d0k h ALA 146 CO 0.00 -0.28 -0.24 0.78 0.00 0.00 0.00 179.25 179.51 3d0k h GLY 147 N 0.00 0.00 1.63 0.00 0.00 -0.39 -0.72 103.07 103.59 3d0k h GLY 147 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.21 3d0k h GLY 147 CO -0.00 0.00 -0.93 -1.33 0.00 0.00 0.00 176.54 174.27 3d0k h GLY 148 N 2.82 0.37 0.65 4.60 0.00 -0.66 0.28 103.07 111.14 3d0k h GLY 148 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.68 3d0k h GLY 148 CO 0.03 0.58 -0.20 1.46 0.00 0.00 0.00 176.54 178.42 3d0k h GLN 149 N 0.18 -0.36 -0.08 4.80 4.20 -0.89 -2.35 115.11 120.61 3d0k h GLN 149 Ca -0.07 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3d0k h GLN 149 Cb 1.57 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.38 3d0k h GLN 149 CO 0.15 -0.24 -0.23 0.35 -0.67 0.00 0.00 178.83 178.20 3d0k h PHE 150 N -0.37 -0.62 -0.17 2.96 3.57 -0.99 -1.96 116.94 119.37 3d0k h PHE 150 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3d0k h PHE 150 Cb 0.39 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3d0k h PHE 150 CO -0.19 -0.31 0.09 0.28 -2.23 0.00 0.00 178.31 175.94 3d0k h VAL 151 N -0.32 1.11 0.00 1.41 2.07 -0.92 0.97 116.25 120.58 3d0k h VAL 151 Ca 0.09 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3d0k h VAL 151 Cb 0.44 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3d0k h VAL 151 CO -0.27 0.11 -0.28 1.12 0.02 0.00 0.00 177.57 178.27 3d0k h HIS 152 N 0.16 0.00 0.00 1.57 2.07 -1.33 -2.84 115.15 114.78 3d0k h HIS 152 Ca 0.06 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.41 3d0k h HIS 152 Cb 0.09 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.05 3d0k h HIS 152 CO -0.03 0.28 -0.82 0.00 -3.07 0.00 0.00 177.93 174.29 3d0k h ARG 153 N 0.00 0.00 -0.35 5.12 3.08 -1.13 -0.67 114.38 120.43 3d0k h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d0k h ARG 153 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3d0k h ARG 153 CO 0.04 0.82 0.00 -0.11 -1.07 0.00 0.00 179.97 179.65 3d0k n LEU 154 N -3.44 0.00 0.00 3.04 0.00 0.32 -2.56 117.00 114.36 3d0k n LEU 154 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3d0k n LEU 154 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.24 3d0k n LEU 154 CO 0.45 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.64 3d0k n SER 156 N 0.54 0.00 0.00 1.96 7.64 -0.26 -0.66 113.62 122.84 3d0k n SER 156 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3d0k n SER 156 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3d0k n SER 156 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3d0k n SER 157 N 0.00 1.32 -4.48 6.43 3.41 -1.06 -4.73 113.62 114.51 3d0k n SER 157 Ca 0.00 -0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.24 3d0k n SER 157 Cb 0.00 0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 3d0k n SER 157 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3d0k s GLN 158 N -0.72 1.74 0.33 4.33 -1.52 0.17 -4.97 119.66 119.03 3d0k s GLN 158 Ca 0.00 -1.32 -0.28 0.00 -1.95 0.00 0.00 55.36 51.81 3d0k s GLN 158 Cb 0.00 -2.03 -0.13 0.00 -0.22 0.00 0.00 33.01 30.64 3d0k s GLN 158 CO 0.00 0.44 1.24 -2.30 -0.25 0.00 0.00 175.29 174.42 3d0k n PRO 159 N 0.45 1.98 0.00 2.91 -0.02 -1.26 -4.92 135.00 134.14 3d0k n PRO 159 Ca -0.14 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3d0k n PRO 159 Cb 0.54 -2.24 0.31 0.00 -0.02 0.00 0.00 33.50 32.10 3d0k n PRO 159 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3d0k n HIS 160 N 0.30 0.00 -0.34 6.00 8.25 -1.26 -4.49 115.22 123.68 3d0k n HIS 160 Ca 0.06 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.67 3d0k n HIS 160 Cb 0.35 -0.28 0.36 0.00 1.12 0.00 0.00 29.99 31.55 3d0k n HIS 160 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d0k h ALA 161 N 3.04 1.71 0.00 -1.41 0.00 -2.05 -1.29 119.26 119.26 3d0k h ALA 161 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d0k h ALA 161 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3d0k h ALA 161 CO 0.00 -0.23 0.00 -1.35 0.00 0.00 0.00 179.25 177.67 3d0k h PRO 162 N 0.59 0.00 -5.05 0.00 0.11 -1.95 -3.44 132.00 122.26 3d0k h PRO 162 Ca 0.62 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 66.07 3d0k h PRO 162 Cb 1.13 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.96 3d0k h PRO 162 CO -0.46 0.00 -0.73 -0.06 -0.21 0.00 0.00 178.00 176.54 3d0k s PHE 163 N -3.42 2.94 0.01 0.65 0.40 -0.49 -4.38 117.98 113.69 3d0k s PHE 163 Ca 0.02 -0.90 -0.10 0.00 -0.60 0.00 0.00 56.93 55.34 3d0k s PHE 163 Cb 0.09 -2.06 -0.32 0.00 0.51 0.00 0.00 43.02 41.24 3d0k s PHE 163 CO 0.35 -0.50 0.92 1.25 0.70 0.00 0.00 175.22 177.94 3d0k h HIS 164 N 7.88 0.75 -3.24 0.36 -0.00 -0.84 -3.48 115.15 116.56 3d0k h HIS 164 Ca -0.39 -0.54 -0.12 0.00 -0.00 0.00 0.00 60.37 59.31 3d0k h HIS 164 Cb 1.17 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.35 3d0k h HIS 164 CO 0.57 1.51 -0.34 0.00 -0.00 0.00 0.00 177.93 179.67 3d0k s ALA 165 N -2.61 -0.61 -0.09 5.26 0.00 -1.08 -5.01 121.76 117.62 3d0k s ALA 165 Ca -0.10 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 3d0k s ALA 165 Cb 0.05 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.35 3d0k s ALA 165 CO 0.90 -0.27 0.21 0.08 0.00 0.00 0.00 175.76 176.68 3d0k s VAL 166 N -1.59 -0.04 -0.07 0.00 1.01 -1.26 -0.87 120.40 117.58 3d0k s VAL 166 Ca -0.12 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3d0k s VAL 166 Cb -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.02 3d0k s VAL 166 CO 0.02 0.05 -0.07 -0.89 0.00 0.00 0.00 175.10 174.21 3d0k s THR 167 N 1.05 0.85 -0.25 3.92 2.01 0.17 -1.29 115.64 122.11 3d0k s THR 167 Ca -0.08 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 3d0k s THR 167 Cb -0.09 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 3d0k s THR 167 CO -0.06 0.31 0.05 0.00 -0.69 0.00 0.00 174.62 174.23 3d0k s ALA 168 N 1.16 3.09 -0.21 7.40 0.00 -0.38 -2.33 121.76 130.48 3d0k s ALA 168 Ca -0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 3d0k s ALA 168 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3d0k s ALA 168 CO -0.02 -0.50 0.02 0.00 0.00 0.00 0.00 175.76 175.26 3d0k s ALA 169 N 1.58 3.05 -1.58 0.00 0.00 0.06 -0.94 121.76 123.93 3d0k s ALA 169 Ca 0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3d0k s ALA 169 Cb -0.15 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.15 3d0k s ALA 169 CO 0.02 -0.26 0.08 0.09 0.00 0.00 0.00 175.76 175.69 3d0k n ASN 170 N 4.47 0.57 -4.63 0.00 3.02 0.12 -0.91 115.26 117.89 3d0k n ASN 170 Ca -0.17 -1.26 -0.40 0.00 -0.03 0.00 0.00 54.58 52.72 3d0k n ASN 170 Cb 0.52 -1.58 0.03 0.00 -0.61 0.00 0.00 39.78 38.14 3d0k n ASN 170 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3d0k n PRO 171 N -4.48 1.33 0.11 3.52 -0.02 -1.26 -3.24 135.00 130.95 3d0k n PRO 171 Ca -0.27 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 3d0k n PRO 171 Cb 0.66 -2.17 0.16 0.00 -0.02 0.00 0.00 33.50 32.12 3d0k n PRO 171 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d0k h GLY 172 N 1.29 0.16 -1.54 -1.23 0.00 -1.92 -3.46 103.07 96.38 3d0k h GLY 172 Ca -0.47 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 46.72 3d0k h GLY 172 CO 0.55 0.18 0.35 0.66 0.00 0.00 0.00 176.54 178.28 3d0k s TRP 173 N -3.76 0.01 0.06 5.60 1.48 -1.26 -4.68 118.94 116.39 3d0k s TRP 173 Ca -0.03 -0.55 0.06 0.00 -1.06 0.00 0.00 56.10 54.52 3d0k s TRP 173 Cb 0.12 0.76 -0.03 0.00 -1.16 0.00 0.00 33.47 33.17 3d0k s TRP 173 CO 0.78 -1.29 -0.16 0.71 -4.06 0.00 0.00 176.95 172.93 3d0k s TYR 174 N -2.76 1.35 -0.30 1.66 2.02 -1.26 -4.73 117.35 113.32 3d0k s TYR 174 Ca 0.15 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.16 3d0k s TYR 174 Cb -0.04 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 3d0k s TYR 174 CO 0.08 0.07 1.32 0.99 -1.57 0.00 0.00 175.55 176.45 3d0k s THR 175 N -1.06 4.11 0.43 -0.71 2.01 -1.24 -4.74 115.64 114.44 3d0k s THR 175 Ca 0.01 1.24 -0.23 0.00 0.31 0.00 0.00 61.69 63.03 3d0k s THR 175 Cb -0.09 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 3d0k s THR 175 CO 0.02 -0.49 1.07 -0.76 -0.69 0.00 0.00 174.62 173.77 3d0k s LEU 176 N 4.47 4.04 -1.39 4.42 1.43 0.33 -4.91 118.68 127.07 3d0k s LEU 176 Ca 0.57 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.58 3d0k s LEU 176 Cb -0.17 -4.30 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 3d0k s LEU 176 CO 0.24 -0.64 2.29 -0.81 0.23 0.00 0.00 176.35 177.65 3d0k n PRO 177 N -0.38 2.78 -3.59 1.29 -0.04 -1.26 -4.10 135.00 129.70 3d0k n PRO 177 Ca 0.07 -2.44 -0.15 0.00 -0.04 0.00 0.00 63.50 60.94 3d0k n PRO 177 Cb 0.50 -3.17 -0.07 0.00 -0.04 0.00 0.00 33.50 30.73 3d0k n PRO 177 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3d0k s THR 178 N 3.28 0.00 -2.21 0.52 -1.32 -1.26 -4.81 115.64 109.84 3d0k s THR 178 Ca 0.51 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.19 3d0k s THR 178 Cb 0.14 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.60 3d0k s THR 178 CO -0.06 0.00 1.57 0.49 -2.21 0.00 0.00 174.62 174.41 3d0k n PHE 179 N 2.00 0.17 0.27 9.09 3.01 -1.26 -0.68 117.46 130.06 3d0k n PHE 179 Ca -0.16 -0.09 0.12 0.00 1.01 0.00 0.00 57.45 58.33 3d0k n PHE 179 Cb 0.56 0.00 0.76 0.00 -0.01 0.00 0.00 39.48 40.79 3d0k n PHE 179 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3d0k h GLU 180 N 1.78 0.00 -6.05 -1.08 5.08 -1.95 -3.40 114.58 108.96 3d0k h GLU 180 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3d0k h GLU 180 Cb 0.39 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.40 3d0k h GLU 180 CO 0.00 0.05 -0.83 -1.01 -1.00 0.00 0.00 179.01 176.22 3d0k s HIS 181 N -4.65 1.75 0.33 4.33 3.76 -1.26 -5.03 115.29 114.53 3d0k s HIS 181 Ca -0.04 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.19 3d0k s HIS 181 Cb 0.15 -1.01 -0.10 0.00 1.11 0.00 0.00 32.58 32.74 3d0k s HIS 181 CO 0.60 0.13 1.24 0.50 -0.85 0.00 0.00 174.74 176.36 3d0k s ARG 182 N -1.47 4.38 0.42 1.40 3.52 -1.26 -1.41 118.95 124.52 3d0k s ARG 182 Ca 0.06 2.07 -0.25 0.00 -0.13 0.00 0.00 55.73 57.48 3d0k s ARG 182 Cb -0.09 -3.04 -0.10 0.00 -1.56 0.00 0.00 34.95 30.15 3d0k s ARG 182 CO 0.03 -0.11 1.10 0.34 -0.81 0.00 0.00 175.30 175.85 3d0k n PHE 183 N 0.79 1.52 1.69 5.12 7.35 -0.13 -1.36 117.46 132.44 3d0k n PHE 183 Ca 0.00 0.54 0.15 0.00 -0.76 0.00 0.00 57.45 57.39 3d0k n PHE 183 Cb 0.43 -2.28 0.76 0.00 0.35 0.00 0.00 39.48 38.74 3d0k n PHE 183 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3d0k n PRO 184 N 0.12 0.99 0.03 -7.13 -0.04 -1.26 -4.83 135.00 122.88 3d0k n PRO 184 Ca 0.08 -0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 3d0k n PRO 184 Cb 0.39 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 3d0k n PRO 184 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3d0k h GLU 185 N 0.62 0.44 0.00 0.54 4.81 -1.51 -3.29 114.58 116.19 3d0k h GLU 185 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3d0k h GLU 185 Cb 0.22 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3d0k h GLU 185 CO 0.00 0.72 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 3d0k n GLY 186 N -0.24 4.94 0.64 1.92 0.00 -0.93 -0.52 105.19 111.00 3d0k n GLY 186 Ca -0.01 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.77 3d0k n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d0k n LEU 187 N 0.00 2.30 -4.87 0.99 4.77 0.14 -2.44 117.00 117.88 3d0k n LEU 187 Ca 0.00 -0.89 -0.30 0.00 -0.03 0.00 0.00 56.01 54.79 3d0k n LEU 187 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3d0k n LEU 187 CO 0.00 0.41 0.56 -0.62 -1.33 0.00 0.00 177.39 176.41 3d0k s ASP 188 N -1.93 6.40 0.00 -1.43 3.68 -0.50 -4.36 116.67 118.53 3d0k s ASP 188 Ca 0.20 1.24 0.00 0.00 2.13 0.00 0.00 52.55 56.13 3d0k s ASP 188 Cb 0.16 -2.38 0.00 0.00 -1.45 0.00 0.00 42.92 39.25 3d0k s ASP 188 CO 0.36 -0.60 0.00 0.61 0.13 0.00 0.00 175.17 175.67 3d0k n GLY 189 N -1.96 0.75 0.09 2.66 0.00 -1.26 -0.96 105.19 104.51 3d0k n GLY 189 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 3d0k n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d0k n VAL 190 N -2.26 0.56 -1.38 1.61 0.24 -1.26 -4.27 118.33 111.57 3d0k n VAL 190 Ca 0.00 -0.61 -0.07 0.00 -2.04 0.00 0.00 64.34 61.62 3d0k n VAL 190 Cb 0.00 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 32.95 3d0k n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d0k n GLY 191 N -0.35 0.74 3.97 7.63 0.00 -1.26 -4.80 105.19 111.11 3d0k n GLY 191 Ca 0.02 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3d0k n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d0k s LEU 192 N -1.61 3.25 0.19 0.99 1.02 -1.26 -5.03 118.68 116.23 3d0k s LEU 192 Ca 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 54.13 54.21 3d0k s LEU 192 Cb 0.00 -2.92 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 3d0k s LEU 192 CO 0.00 -1.16 0.08 0.42 0.02 0.00 0.00 176.35 175.71 3d0k s THR 193 N -2.80 0.27 0.52 5.49 -4.23 -1.26 -5.00 115.64 108.63 3d0k s THR 193 Ca 0.57 -1.97 0.18 0.00 -1.18 0.00 0.00 61.69 59.28 3d0k s THR 193 Cb -0.10 -2.33 0.29 0.00 1.34 0.00 0.00 72.50 71.69 3d0k s THR 193 CO 0.39 -0.22 2.14 -0.33 -0.54 0.00 0.00 174.62 176.06 3d0k h GLU 194 N 2.65 0.00 -0.78 3.99 4.39 -1.99 -1.40 114.58 121.44 3d0k h GLU 194 Ca -0.36 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 3d0k h GLU 194 Cb 1.23 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 3d0k h GLU 194 CO 0.58 0.00 0.42 -0.44 -1.16 0.00 0.00 179.01 178.41 3d0k h ASP 195 N 0.00 0.98 -0.48 1.42 3.32 -1.99 0.40 116.42 120.07 3d0k h ASP 195 Ca 0.03 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.00 3d0k h ASP 195 Cb 0.11 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3d0k h ASP 195 CO -0.00 0.80 0.27 0.45 -1.72 0.00 0.00 179.24 179.05 3d0k h HIS 196 N 1.08 0.50 -0.35 4.55 3.86 -1.61 -1.46 115.15 121.73 3d0k h HIS 196 Ca 0.27 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 3d0k h HIS 196 Cb 0.05 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3d0k h HIS 196 CO 0.00 0.28 0.04 1.25 0.86 0.00 0.00 177.93 180.36 3d0k h LEU 197 N 0.54 0.56 -0.62 2.43 5.85 -1.03 0.12 115.31 123.16 3d0k h LEU 197 Ca 0.20 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3d0k h LEU 197 Cb 0.05 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3d0k h LEU 197 CO -0.11 0.70 0.40 0.00 -0.34 0.00 0.00 178.44 179.09 3d0k h ALA 198 N 0.89 0.80 -0.64 1.25 0.00 -0.76 0.08 119.26 120.88 3d0k h ALA 198 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3d0k h ALA 198 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3d0k h ALA 198 CO 0.01 0.18 0.09 0.00 0.00 0.00 0.00 179.25 179.53 3d0k h ARG 199 N 0.81 1.06 0.19 0.00 3.08 -1.04 -2.16 114.38 116.32 3d0k h ARG 199 Ca 0.24 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3d0k h ARG 199 Cb -0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3d0k h ARG 199 CO -0.07 0.99 -0.19 1.25 -1.07 0.00 0.00 179.97 180.88 3d0k h LEU 200 N 0.98 -0.52 -1.50 3.04 5.85 -0.53 -2.69 115.31 119.94 3d0k h LEU 200 Ca 0.19 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3d0k h LEU 200 Cb 0.46 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3d0k h LEU 200 CO 0.02 -0.29 0.25 -0.07 -0.34 0.00 0.00 178.44 178.01 3d0k h LEU 201 N -0.41 0.51 -0.50 2.25 3.38 -0.80 -2.86 115.31 116.87 3d0k h LEU 201 Ca 0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3d0k h LEU 201 Cb 0.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3d0k h LEU 201 CO -0.05 0.40 -0.72 0.00 0.09 0.00 0.00 178.44 178.16 3d0k h ALA 202 N 1.68 0.77 -2.89 1.53 0.00 -1.28 -0.12 119.26 118.95 3d0k h ALA 202 Ca 0.15 -0.66 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 3d0k h ALA 202 Cb -0.00 -0.12 0.08 0.00 0.00 0.00 0.00 17.79 17.76 3d0k h ALA 202 CO -0.03 0.90 0.73 -0.47 0.00 0.00 0.00 179.25 180.38 3d0k s TYR 203 N -3.30 2.81 0.09 0.00 6.14 -1.02 -3.52 117.35 118.56 3d0k s TYR 203 Ca -0.00 1.22 -0.30 0.00 0.64 0.00 0.00 57.07 58.63 3d0k s TYR 203 Cb 0.12 -3.88 -0.06 0.00 0.42 0.00 0.00 41.96 38.56 3d0k s TYR 203 CO 0.78 -2.57 1.07 -1.25 0.64 0.00 0.00 175.55 174.21 3d0k s PRO 204 N -1.71 4.57 -0.07 4.97 0.04 -1.26 -3.37 135.00 138.16 3d0k s PRO 204 Ca 0.53 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 3d0k s PRO 204 Cb -0.44 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 30.78 3d0k s PRO 204 CO 0.56 -0.00 0.18 0.99 0.04 0.00 0.00 177.00 178.77 3d0k s THR 206 N 0.41 -0.03 -0.37 1.26 2.01 -0.41 -4.68 115.64 113.83 3d0k s THR 206 Ca 0.52 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.49 3d0k s THR 206 Cb -0.26 -0.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 3d0k s THR 206 CO 0.31 0.05 0.26 -0.63 -0.69 0.00 0.00 174.62 173.92 3d0k s ILE 207 N 0.84 5.26 -0.28 1.82 1.01 0.43 -1.25 121.20 129.03 3d0k s ILE 207 Ca -0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3d0k s ILE 207 Cb -0.08 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3d0k s ILE 207 CO -0.05 -0.13 0.11 -0.22 0.00 0.00 0.00 174.94 174.65 3d0k s LEU 208 N 1.70 3.75 -0.11 2.97 2.96 -0.12 -0.86 118.68 128.97 3d0k s LEU 208 Ca 0.06 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3d0k s LEU 208 Cb -0.18 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.58 3d0k s LEU 208 CO 0.10 -0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 174.98 3d0k s ALA 209 N 1.61 1.17 0.00 5.97 0.00 -0.26 -0.70 121.76 129.56 3d0k s ALA 209 Ca 0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 3d0k s ALA 209 Cb -0.16 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 3d0k s ALA 209 CO 0.05 -0.50 1.29 0.20 0.00 0.00 0.00 175.76 176.80 3d0k s GLY 210 N 1.78 2.05 0.00 0.00 0.00 -1.26 -0.49 107.32 109.39 3d0k s GLY 210 Ca 0.04 0.81 0.30 0.00 0.00 0.00 0.00 44.72 45.87 3d0k s GLY 210 CO -0.07 2.31 2.13 2.09 0.00 0.00 0.00 173.10 179.56 3d0k n ASP 211 N 4.92 0.00 -1.27 1.64 5.68 -0.83 -1.78 116.55 124.91 3d0k n ASP 211 Ca 0.11 -0.92 0.11 0.00 -0.50 0.00 0.00 54.79 53.59 3d0k n ASP 211 Cb 0.45 -0.01 0.30 0.00 -1.14 0.00 0.00 41.12 40.72 3d0k n ASP 211 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d0k n GLN 212 N -1.01 2.83 -2.17 0.11 1.13 -0.30 -4.71 117.38 113.26 3d0k n GLN 212 Ca 0.22 -2.60 -0.42 0.00 -1.94 0.00 0.00 57.00 52.26 3d0k n GLN 212 Cb 0.11 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.91 3d0k n GLN 212 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3d0k n ASP 213 N 1.45 5.34 -0.02 1.08 -0.08 -0.73 -4.50 116.55 119.08 3d0k n ASP 213 Ca 0.23 -3.06 0.01 0.00 -1.51 0.00 0.00 54.79 50.46 3d0k n ASP 213 Cb 0.62 -1.49 0.01 0.00 2.34 0.00 0.00 41.12 42.59 3d0k n ASP 213 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3d0k n ILE 214 N 3.41 0.67 -2.12 5.18 -5.35 -1.26 -1.96 119.36 117.93 3d0k n ILE 214 Ca 0.45 -0.70 -0.39 0.00 -0.27 0.00 0.00 62.75 61.85 3d0k n ILE 214 Cb 0.35 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 38.87 3d0k n ILE 214 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d0k s ALA 215 N -0.74 3.16 -0.69 -1.28 0.00 -1.26 -4.87 121.76 116.07 3d0k s ALA 215 Ca 0.02 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.14 3d0k s ALA 215 Cb 0.02 -3.45 0.35 0.00 0.00 0.00 0.00 23.12 20.04 3d0k s ALA 215 CO 0.00 -0.77 1.32 0.25 0.00 0.00 0.00 175.76 176.56 3d0k n THR 216 N -0.05 3.74 -0.08 0.00 -2.24 -1.26 -4.61 114.28 109.77 3d0k n THR 216 Ca 0.05 -5.41 -0.10 0.00 -2.27 0.00 0.00 64.05 56.32 3d0k n THR 216 Cb 0.45 -1.39 -0.11 0.00 -2.10 0.00 0.00 70.33 67.17 3d0k n THR 216 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3d0k n PRO 219 N -0.28 1.17 -0.32 -0.78 -0.02 -1.26 -5.01 135.00 128.50 3d0k n PRO 219 Ca 0.39 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3d0k n PRO 219 Cb 0.40 -1.40 0.29 0.00 -0.02 0.00 0.00 33.50 32.77 3d0k n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3d0k n ASN 220 N -2.73 3.68 -4.71 2.55 3.02 -1.26 -4.93 115.26 110.90 3d0k n ASN 220 Ca -0.28 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 51.86 3d0k n ASN 220 Cb 0.97 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 3d0k n ASN 220 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3d0k s LEU 221 N -1.12 4.33 0.06 3.41 2.96 -1.26 -4.99 118.68 122.07 3d0k s LEU 221 Ca 0.45 1.50 -0.34 0.00 -0.22 0.00 0.00 54.13 55.52 3d0k s LEU 221 Cb 0.24 -3.43 -0.13 0.00 0.50 0.00 0.00 46.19 43.37 3d0k s LEU 221 CO 0.32 -0.26 1.66 -2.65 -1.32 0.00 0.00 176.35 174.10 3d0k n PRO 222 N 4.09 2.05 -0.16 0.98 -0.02 -1.26 -4.85 135.00 135.83 3d0k n PRO 222 Ca 0.04 0.74 0.03 0.00 -2.02 0.00 0.00 63.50 62.30 3d0k n PRO 222 Cb 0.51 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3d0k n PRO 222 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d0k n SER 223 N 4.41 1.08 -4.76 2.55 3.41 -1.26 -4.65 113.62 114.40 3d0k n SER 223 Ca 0.19 -2.08 -0.34 0.00 -0.26 0.00 0.00 58.87 56.38 3d0k n SER 223 Cb 0.28 -0.18 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3d0k n SER 223 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3d0k s GLU 224 N -1.01 2.71 0.28 4.33 0.41 -1.26 -4.77 118.70 119.39 3d0k s GLU 224 Ca 0.09 1.57 0.03 0.00 -0.41 0.00 0.00 54.97 56.24 3d0k s GLU 224 Cb 0.08 -1.92 0.65 0.00 -1.78 0.00 0.00 34.13 31.16 3d0k s GLU 224 CO 0.01 -1.35 1.76 -1.35 -0.49 0.00 0.00 175.26 173.83 3d0k h PRO 225 N 0.19 0.63 -0.85 0.39 0.11 -1.99 -0.88 132.00 129.61 3d0k h PRO 225 Ca -0.48 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.60 3d0k h PRO 225 Cb 1.27 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3d0k h PRO 225 CO 0.53 0.42 0.57 0.00 -0.21 0.00 0.00 178.00 179.31 3d0k h ALA 226 N 1.62 1.40 -0.23 -0.75 0.00 -2.00 -0.16 119.26 119.14 3d0k h ALA 226 Ca 0.53 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 3d0k h ALA 226 Cb 0.82 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3d0k h ALA 226 CO -0.40 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 3d0k h ALA 227 N 1.47 0.31 -0.34 0.00 0.00 -1.54 -3.05 119.26 116.11 3d0k h ALA 227 Ca 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d0k h ALA 227 Cb -0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3d0k h ALA 227 CO -0.07 0.07 0.19 -0.07 0.00 0.00 0.00 179.25 179.37 3d0k h LEU 228 N 0.18 0.41 -2.76 0.00 3.38 -0.77 -0.96 115.31 114.79 3d0k h LEU 228 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3d0k h LEU 228 Cb 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3d0k h LEU 228 CO 0.02 0.33 -0.00 0.03 0.09 0.00 0.00 178.44 178.90 3d0k h ARG 229 N 0.47 0.00 -0.00 1.13 3.08 -0.92 -1.90 114.38 116.23 3d0k h ARG 229 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3d0k h ARG 229 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3d0k h ARG 229 CO -0.02 0.00 -0.43 1.04 -1.07 0.00 0.00 179.97 179.49 3d0k n GLN 230 N -3.21 0.42 0.00 0.04 6.02 -0.36 -5.04 117.38 115.25 3d0k n GLN 230 Ca -0.03 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 3d0k n GLN 230 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3d0k n GLN 230 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d0k n GLY 231 N 1.43 3.00 0.18 1.08 0.00 -0.71 -3.77 105.19 106.40 3d0k n GLY 231 Ca 0.08 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.35 3d0k n GLY 231 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d0k h PRO 232 N 0.00 0.00 -3.92 1.61 0.13 -1.90 -3.41 132.00 124.51 3d0k h PRO 232 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 3d0k h PRO 232 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 3d0k h PRO 232 CO 0.00 0.29 -0.20 -3.38 -0.23 0.00 0.00 178.00 174.48 3d0k s HIS 233 N -3.22 0.69 0.25 1.56 -3.43 -1.26 -4.58 115.29 105.31 3d0k s HIS 233 Ca 0.04 -1.00 -0.04 0.00 -0.80 0.00 0.00 55.06 53.26 3d0k s HIS 233 Cb 0.08 0.01 0.30 0.00 -1.43 0.00 0.00 32.58 31.54 3d0k s HIS 233 CO 0.69 -1.01 1.78 0.00 -2.00 0.00 0.00 174.74 174.21 3d0k h ARG 234 N 2.25 0.93 -0.45 -0.38 3.08 -1.80 -2.01 114.38 116.00 3d0k h ARG 234 Ca -0.28 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3d0k h ARG 234 Cb 1.25 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3d0k h ARG 234 CO 0.39 0.84 0.25 -0.92 -1.07 0.00 0.00 179.97 179.46 3d0k h TYR 235 N 0.89 0.62 -0.79 3.04 3.20 -1.65 -1.36 116.97 120.91 3d0k h TYR 235 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3d0k h TYR 235 Cb 0.34 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3d0k h TYR 235 CO 0.02 0.46 0.31 0.00 -1.64 0.00 0.00 178.16 177.32 3d0k h ALA 236 N 1.10 1.05 -0.88 1.82 0.00 -1.71 -2.97 119.26 117.66 3d0k h ALA 236 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3d0k h ALA 236 Cb 0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3d0k h ALA 236 CO -0.03 0.67 0.48 0.00 0.00 0.00 0.00 179.25 180.37 3d0k h ARG 237 N 1.16 1.23 -0.43 0.00 3.08 -1.09 -0.68 114.38 117.64 3d0k h ARG 237 Ca 0.26 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3d0k h ARG 237 Cb 0.23 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3d0k h ARG 237 CO -0.02 0.90 0.29 0.00 -1.07 0.00 0.00 179.97 180.06 3d0k h ALA 238 N 1.29 0.55 -0.49 0.04 0.00 -1.10 0.21 119.26 119.76 3d0k h ALA 238 Ca 0.31 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3d0k h ALA 238 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d0k h ALA 238 CO -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.17 3d0k h ARG 239 N 0.59 0.85 -0.56 0.00 3.08 -1.37 -1.50 114.38 115.47 3d0k h ARG 239 Ca 0.16 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3d0k h ARG 239 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3d0k h ARG 239 CO -0.03 0.87 0.27 1.25 -1.07 0.00 0.00 179.97 181.26 3d0k h HIS 240 N 0.78 0.81 -0.04 3.04 2.76 -0.83 -1.26 115.15 120.40 3d0k h HIS 240 Ca 0.14 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3d0k h HIS 240 Cb 0.53 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 3d0k h HIS 240 CO 0.03 0.62 0.01 -0.92 -1.30 0.00 0.00 177.93 176.37 3d0k h TYR 241 N 0.76 0.07 -0.24 5.26 3.20 -0.67 -0.07 116.97 125.28 3d0k h TYR 241 Ca 0.19 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3d0k h TYR 241 Cb 0.12 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 3d0k h TYR 241 CO -0.00 0.29 -0.21 -0.92 -1.64 0.00 0.00 178.16 175.68 3d0k h TYR 242 N -0.17 -0.56 -0.83 -3.82 3.20 -1.22 -0.47 116.97 113.11 3d0k h TYR 242 Ca 0.01 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3d0k h TYR 242 Cb 0.26 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 3d0k h TYR 242 CO 0.01 -0.29 0.49 0.93 -1.64 0.00 0.00 178.16 177.66 3d0k h GLU 243 N -0.22 0.82 -0.63 1.82 5.08 -1.13 -1.29 114.58 119.03 3d0k h GLU 243 Ca 0.14 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3d0k h GLU 243 Cb 0.42 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3d0k h GLU 243 CO -0.37 0.54 0.23 0.00 -1.00 0.00 0.00 179.01 178.42 3d0k h ALA 244 N 1.43 1.21 -0.29 3.43 0.00 -0.32 -1.68 119.26 123.04 3d0k h ALA 244 Ca 0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3d0k h ALA 244 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3d0k h ALA 244 CO -0.22 0.56 -0.01 0.78 0.00 0.00 0.00 179.25 180.37 3d0k h GLY 245 N 1.02 0.57 0.62 0.00 0.00 -0.46 -0.44 103.07 104.38 3d0k h GLY 245 Ca 0.21 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.17 3d0k h GLY 245 CO -0.02 0.39 0.15 1.46 0.00 0.00 0.00 176.54 178.53 3d0k h GLN 246 N 0.31 0.31 -0.13 4.80 4.20 -1.00 -0.87 115.11 122.73 3d0k h GLN 246 Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3d0k h GLN 246 Cb 0.44 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3d0k h GLN 246 CO 0.02 0.21 0.04 -0.09 -0.67 0.00 0.00 178.83 178.34 3d0k h ARG 247 N 0.32 0.21 -0.71 1.46 2.43 -1.24 -0.10 114.38 116.76 3d0k h ARG 247 Ca 0.20 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3d0k h ARG 247 Cb 0.19 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 3d0k h ARG 247 CO -0.20 0.35 0.43 0.00 -1.51 0.00 0.00 179.97 179.03 3d0k h ALA 248 N 0.86 0.94 -0.42 2.80 0.00 -0.79 0.53 119.26 123.17 3d0k h ALA 248 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3d0k h ALA 248 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3d0k h ALA 248 CO -0.00 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 3d0k h ALA 249 N 1.33 0.57 -0.64 0.00 0.00 -1.08 -3.11 119.26 116.33 3d0k h ALA 249 Ca 0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3d0k h ALA 249 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3d0k h ALA 249 CO -0.14 0.41 0.19 0.00 0.00 0.00 0.00 179.25 179.71 3d0k h ALA 250 N 0.87 1.14 0.00 0.00 0.00 -0.59 -0.17 119.26 120.51 3d0k h ALA 250 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3d0k h ALA 250 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3d0k h ALA 250 CO 0.03 0.59 0.00 -0.56 0.00 0.00 0.00 179.25 179.32 3d0k h GLN 251 N 0.94 0.00 -0.07 0.00 3.07 -0.92 -2.83 115.11 115.30 3d0k h GLN 251 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 3d0k h GLN 251 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 3d0k h GLN 251 CO -0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.45 3d0k n ARG 252 N -2.81 1.94 -2.53 0.06 1.74 -0.96 -4.98 116.66 109.11 3d0k n ARG 252 Ca 0.02 -1.79 -0.19 0.00 -0.77 0.00 0.00 57.85 55.12 3d0k n ARG 252 Cb 0.35 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3d0k n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d0k n GLY 253 N 1.18 -0.40 3.89 -0.13 0.00 -0.61 -5.00 105.19 104.11 3d0k n GLY 253 Ca 0.13 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3d0k n GLY 253 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d0k s LEU 254 N -5.59 4.17 0.47 0.99 1.43 -0.17 -5.02 118.68 114.95 3d0k s LEU 254 Ca 0.08 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3d0k s LEU 254 Cb -0.04 -2.77 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 3d0k s LEU 254 CO 0.10 0.10 1.22 -2.16 0.23 0.00 0.00 176.35 175.84 3d0k s PRO 255 N -2.93 3.68 -0.19 1.29 0.04 -1.26 -4.58 135.00 131.04 3d0k s PRO 255 Ca 0.33 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.30 3d0k s PRO 255 Cb -0.11 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 32.03 3d0k s PRO 255 CO 0.27 -0.66 -0.11 0.12 0.04 0.00 0.00 177.00 176.66 3d0k s PHE 256 N -1.45 2.38 -0.53 0.56 5.99 -1.26 -3.64 117.98 120.03 3d0k s PHE 256 Ca 0.64 -1.55 0.19 0.00 0.00 0.00 0.00 56.93 56.21 3d0k s PHE 256 Cb -0.32 -1.63 -0.24 0.00 0.00 0.00 0.00 43.02 40.83 3d0k s PHE 256 CO 0.39 -0.73 0.64 0.41 -0.00 0.00 0.00 175.22 175.93 3d0k n GLY 257 N 4.70 -0.79 3.73 13.12 0.00 -0.06 -4.97 105.19 120.92 3d0k n GLY 257 Ca -0.15 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3d0k n GLY 257 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d0k s TRP 258 N -2.97 2.16 -0.03 1.61 0.51 -1.22 -4.22 118.94 114.78 3d0k s TRP 258 Ca 0.01 1.56 0.03 0.00 -2.12 0.00 0.00 56.10 55.58 3d0k s TRP 258 Cb 0.13 -3.49 0.00 0.00 -0.81 0.00 0.00 33.47 29.30 3d0k s TRP 258 CO 0.77 -2.52 -0.11 -0.65 -0.51 0.00 0.00 176.95 173.94 3d0k s GLN 259 N -3.71 1.13 -0.36 4.98 -0.21 -1.26 -5.03 119.66 115.20 3d0k s GLN 259 Ca 0.76 -0.36 -0.17 0.00 0.02 0.00 0.00 55.36 55.60 3d0k s GLN 259 Cb -0.30 -1.03 -0.00 0.00 1.00 0.00 0.00 33.01 32.68 3d0k s GLN 259 CO 0.41 0.14 0.46 -1.17 -2.12 0.00 0.00 175.29 173.01 3d0k s LEU 260 N 0.17 4.46 -0.35 2.90 2.96 -1.26 -0.43 118.68 127.14 3d0k s LEU 260 Ca -0.03 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3d0k s LEU 260 Cb -0.09 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.18 3d0k s LEU 260 CO 0.01 -0.47 0.10 -1.58 -1.32 0.00 0.00 176.35 173.10 3d0k s GLN 261 N 2.26 2.41 0.19 1.98 2.00 -0.04 -4.97 119.66 123.49 3d0k s GLN 261 Ca 0.16 -1.38 -0.28 0.00 -2.00 0.00 0.00 55.36 51.86 3d0k s GLN 261 Cb -0.16 -3.42 -0.08 0.00 0.80 0.00 0.00 33.01 30.15 3d0k s GLN 261 CO 0.13 -0.77 0.87 0.08 -0.50 0.00 0.00 175.29 175.10 3d0k s VAL 262 N 1.29 4.27 -0.34 1.34 1.01 -1.26 -1.10 120.40 125.61 3d0k s VAL 262 Ca -0.00 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 3d0k s VAL 262 Cb -0.21 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 31.98 3d0k s VAL 262 CO -0.00 0.49 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 3d0k s VAL 263 N -0.99 3.50 0.23 2.92 1.01 0.35 -4.92 120.40 122.50 3d0k s VAL 263 Ca 0.39 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 3d0k s VAL 263 Cb -0.24 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3d0k s VAL 263 CO 0.29 -0.22 1.20 -2.16 0.00 0.00 0.00 175.10 174.21 3d0k s PRO 264 N 1.33 4.50 0.00 2.72 0.04 -1.26 -1.97 135.00 140.36 3d0k s PRO 264 Ca -0.02 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3d0k s PRO 264 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3d0k s PRO 264 CO 0.01 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.41 3d0k n GLY 265 N 1.80 0.91 3.56 0.56 0.00 -1.26 -4.92 105.19 105.84 3d0k n GLY 265 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3d0k n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d0k s ILE 266 N -3.58 3.53 0.00 -0.61 -1.09 -1.22 -4.82 121.20 113.41 3d0k s ILE 266 Ca 0.00 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 3d0k s ILE 266 Cb 0.00 -2.48 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3d0k s ILE 266 CO 0.00 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3d0k n GLY 267 N 1.88 2.10 3.46 6.18 0.00 -1.26 -1.16 105.19 116.39 3d0k n GLY 267 Ca -0.16 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 3d0k n GLY 267 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d0k s HIS 268 N 4.11 3.52 -0.30 1.61 5.65 -1.26 -4.64 115.29 123.97 3d0k s HIS 268 Ca 0.00 -2.15 -0.03 0.00 0.25 0.00 0.00 55.06 53.12 3d0k s HIS 268 Cb 0.00 -4.30 0.11 0.00 -1.18 0.00 0.00 32.58 27.20 3d0k s HIS 268 CO 0.00 -1.39 0.14 0.34 -0.65 0.00 0.00 174.74 173.19 3d0k s ASP 269 N 2.79 3.45 0.36 9.88 3.68 -1.26 -5.02 116.67 130.55 3d0k s ASP 269 Ca 0.42 -1.42 0.03 0.00 2.13 0.00 0.00 52.55 53.72 3d0k s ASP 269 Cb -0.03 -0.36 0.66 0.00 -1.45 0.00 0.00 42.92 41.75 3d0k s ASP 269 CO -0.00 -0.42 1.98 1.23 0.13 0.00 0.00 175.17 178.09 3d0k h GLY 270 N 8.20 0.76 0.64 2.66 0.00 -1.99 -2.73 103.07 110.62 3d0k h GLY 270 Ca -0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3d0k h GLY 270 CO 0.41 0.31 -0.04 -1.61 0.00 0.00 0.00 176.54 175.62 3d0k h GLN 271 N 0.72 0.14 -1.05 4.80 4.15 -1.97 -0.70 115.11 121.20 3d0k h GLN 271 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3d0k h GLN 271 Cb 0.02 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3d0k h GLN 271 CO -0.03 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.40 3d0k n ALA 272 N -2.34 1.32 0.00 3.38 0.00 -1.03 -1.59 120.51 120.24 3d0k n ALA 272 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3d0k n ALA 272 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3d0k n ALA 272 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d0k n SER 274 N 0.74 0.00 -0.04 0.00 7.64 -0.27 -0.69 113.62 121.00 3d0k n SER 274 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3d0k n SER 274 Cb 0.02 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 3d0k n SER 274 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3d0k h GLN 275 N 0.00 0.72 -0.47 1.43 4.20 -1.55 -0.93 115.11 118.50 3d0k h GLN 275 Ca 0.00 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 3d0k h GLN 275 Cb 0.00 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3d0k h GLN 275 CO 0.00 1.06 0.20 0.28 -0.67 0.00 0.00 178.83 179.70 3d0k h VAL 276 N 0.56 1.20 -0.66 -0.54 2.07 -1.18 -2.12 116.25 115.58 3d0k h VAL 276 Ca 0.02 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3d0k h VAL 276 Cb 1.09 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3d0k h VAL 276 CO 0.11 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.34 3d0k h ALA 278 N 1.22 1.13 -0.07 0.00 0.00 -1.10 -1.31 119.26 119.14 3d0k h ALA 278 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3d0k h ALA 278 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3d0k h ALA 278 CO -0.05 0.66 -0.03 1.03 0.00 0.00 0.00 179.25 180.86 3d0k h SER 279 N 1.21 -0.10 -0.55 0.00 0.87 -0.97 0.75 113.55 114.76 3d0k h SER 279 Ca 0.29 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3d0k h SER 279 Cb 0.10 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3d0k h SER 279 CO -0.04 -0.04 0.23 -0.07 -0.53 0.00 0.00 176.83 176.38 3d0k h LEU 280 N -0.02 0.75 0.10 2.23 3.38 -0.95 0.39 115.31 121.19 3d0k h LEU 280 Ca 0.04 -0.16 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 3d0k h LEU 280 Cb 0.08 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 40.66 3d0k h LEU 280 CO -0.08 0.71 -1.20 -0.50 0.09 0.00 0.00 178.44 177.46 3d0k h TRP 281 N 0.75 1.01 0.00 1.13 6.55 -1.19 -3.15 115.95 121.06 3d0k h TRP 281 Ca 0.19 -0.62 -0.06 0.00 0.95 0.00 0.00 58.89 59.34 3d0k h TRP 281 Cb 0.18 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 3d0k h TRP 281 CO 0.00 1.46 -1.54 1.19 -1.05 0.00 0.00 178.44 178.50 3d0k n PHE 282 N -3.82 0.00 0.80 0.49 3.72 0.25 -4.46 117.46 114.43 3d0k n PHE 282 Ca -0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.36 3d0k n PHE 282 Cb 0.96 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 39.19 3d0k n PHE 282 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3d0k n ASP 283 N -2.04 1.89 -1.94 4.37 8.00 -0.02 -5.00 116.55 121.80 3d0k n ASP 283 Ca -0.07 -1.44 -0.17 0.00 0.71 0.00 0.00 54.79 53.81 3d0k n ASP 283 Cb 0.47 0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.95 3d0k n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d0k n GLY 284 N 1.20 -0.22 0.00 0.44 0.00 -0.35 -4.95 105.19 101.32 3d0k n GLY 284 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3d0k n GLY 284 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d0k n ARG 285 N -2.66 0.00 -4.22 1.61 1.85 -0.99 -4.97 116.66 107.29 3d0k n ARG 285 Ca -0.20 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.41 3d0k n ARG 285 Cb 0.65 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.00 3d0k n ARG 285 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3d0k s PRO 287 N 4.14 2.52 0.86 2.89 0.02 -1.26 -2.65 135.00 141.52 3d0k s PRO 287 Ca 0.00 -1.23 -0.15 0.00 0.02 0.00 0.00 61.00 59.65 3d0k s PRO 287 Cb 0.00 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 3d0k s PRO 287 CO 0.00 0.40 0.29 -0.25 -0.33 0.00 0.00 177.00 177.11 3d0k n ASP 288 N -0.78 -2.29 -0.14 2.53 8.00 -1.26 -4.72 116.55 117.90 3d0k n ASP 288 Ca -0.08 0.41 -0.03 0.00 0.71 0.00 0.00 54.79 55.80 3d0k n ASP 288 Cb 0.58 -1.15 0.05 0.00 -0.02 0.00 0.00 41.12 40.58 3d0k n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d0k h ALA 289 N -1.02 0.49 -0.38 2.24 0.00 -1.98 0.15 119.26 118.76 3d0k h ALA 289 Ca -0.44 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3d0k h ALA 289 Cb 1.31 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3d0k h ALA 289 CO 0.36 -0.33 0.16 0.00 0.00 0.00 0.00 179.25 179.44 3d0k h ALA 290 N 1.35 0.45 -0.62 0.00 0.00 -1.99 0.19 119.26 118.65 3d0k h ALA 290 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3d0k h ALA 290 Cb 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3d0k h ALA 290 CO -0.30 -0.22 0.40 0.93 0.00 0.00 0.00 179.25 180.06 3d0k h GLU 291 N 0.33 0.82 -0.14 0.00 5.08 -1.78 -1.96 114.58 116.94 3d0k h GLU 291 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3d0k h GLU 291 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3d0k h GLU 291 CO -0.14 0.56 0.03 -0.07 -1.00 0.00 0.00 179.01 178.39 3d0k h LEU 292 N 0.84 0.21 -0.92 1.33 3.38 -0.24 -1.83 115.31 118.08 3d0k h LEU 292 Ca 0.23 -0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.17 3d0k h LEU 292 Cb -0.07 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.51 3d0k h LEU 292 CO -0.05 0.39 0.47 0.00 0.09 0.00 0.00 178.44 179.35 3d0k h ALA 293 N 0.83 1.52 -0.13 1.53 0.00 -0.45 -0.31 119.26 122.24 3d0k h ALA 293 Ca 0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d0k h ALA 293 Cb 0.26 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3d0k h ALA 293 CO 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.06 3d0k h ARG 294 N 0.51 0.19 0.00 0.00 3.08 -0.88 -2.99 114.38 114.30 3d0k h ARG 294 Ca 0.57 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.55 3d0k h ARG 294 Cb 1.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3d0k h ARG 294 CO -0.48 0.24 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.39 3d0k h LEU 295 N 0.10 0.00 0.00 3.04 3.38 -0.44 -3.52 115.31 117.87 3d0k h LEU 295 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d0k h LEU 295 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3d0k h LEU 295 CO -0.01 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.72