#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.59 -0.00 -0.78 4.81 -2.05 -2.13 114.58 115.03 2k0f h GLU 2 Ca 0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 2 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 2 CO 0.00 0.39 -0.41 1.05 -0.73 0.00 0.00 179.01 179.31 2k0f h GLU 3 N 0.61 0.00 0.00 1.92 9.09 -2.05 0.15 114.58 124.30 2k0f h GLU 3 Ca 0.17 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.58 2k0f h GLU 3 Cb -0.05 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.05 2k0f h GLU 3 CO -0.04 0.41 -0.04 0.37 0.05 0.00 0.00 179.01 179.77 2k0f h GLN 4 N 0.00 0.00 -0.59 1.06 4.15 -1.98 -3.33 115.11 114.42 2k0f h GLN 4 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.53 2k0f h GLN 4 Cb 0.73 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.31 2k0f h GLN 4 CO 0.05 0.17 -0.16 0.82 -1.93 0.00 0.00 178.83 177.78 2k0f h ILE 5 N -1.00 0.39 -0.61 2.39 1.08 -0.91 -2.70 117.51 116.16 2k0f h ILE 5 Ca -0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 2k0f h ILE 5 Cb 0.19 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2k0f h ILE 5 CO -0.00 0.00 0.10 0.00 -0.69 0.00 0.00 178.15 177.56 2k0f h ALA 6 N 1.57 1.02 -0.10 1.87 0.00 -0.92 0.75 119.26 123.45 2k0f h ALA 6 Ca 0.28 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 6 Cb 0.44 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 6 CO -0.62 0.62 -0.83 1.49 0.00 0.00 0.00 179.25 179.92 2k0f h GLU 7 N 0.93 0.74 0.00 0.00 4.57 -1.60 -2.41 114.58 116.81 2k0f h GLU 7 Ca 0.19 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2k0f h GLU 7 Cb 0.40 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2k0f h GLU 7 CO 0.01 1.26 -0.57 1.19 -1.18 0.00 0.00 179.01 179.72 2k0f n PHE 8 N -3.95 0.45 0.01 0.92 3.72 -1.08 -2.69 117.46 114.84 2k0f n PHE 8 Ca -0.09 0.13 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 2k0f n PHE 8 Cb 0.77 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2k0f n PHE 8 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2k0f h LYS 9 N 0.00 -0.19 -0.01 -1.08 3.64 -0.80 -0.01 116.57 118.12 2k0f h LYS 9 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2k0f h LYS 9 Cb 0.69 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2k0f h LYS 9 CO 0.00 -0.12 -0.53 0.93 -2.27 0.00 0.00 179.45 177.45 2k0f h GLU 10 N -0.19 0.02 -0.50 1.90 4.39 -1.46 -1.15 114.58 117.59 2k0f h GLU 10 Ca 0.09 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 10 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2k0f h GLU 10 CO -0.22 0.55 -0.12 0.00 -1.16 0.00 0.00 179.01 178.05 2k0f h ALA 11 N 1.45 0.84 0.52 3.43 0.00 -1.36 -2.63 119.26 121.51 2k0f h ALA 11 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 11 Cb 0.95 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k0f h ALA 11 CO 0.07 0.65 -0.29 0.35 0.00 0.00 0.00 179.25 180.03 2k0f h PHE 12 N 0.83 -0.76 -0.53 0.00 3.57 -0.84 -3.25 116.94 115.97 2k0f h PHE 12 Ca 0.13 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 12 Cb 0.66 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2k0f h PHE 12 CO 0.04 -0.45 0.36 0.77 -2.23 0.00 0.00 178.31 176.80 2k0f h SER 13 N -0.76 0.27 -0.54 0.41 0.02 -1.08 -1.44 113.55 110.43 2k0f h SER 13 Ca -0.06 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2k0f h SER 13 Cb 0.60 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2k0f h SER 13 CO 0.08 0.16 0.36 0.25 -1.14 0.00 0.00 176.83 176.54 2k0f h LEU 14 N 0.30 0.48 0.09 5.07 5.85 -1.50 -2.88 115.31 122.71 2k0f h LEU 14 Ca 0.25 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 14 Cb 0.58 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.52 2k0f h LEU 14 CO -0.05 0.32 -0.77 -0.26 -0.34 0.00 0.00 178.44 177.33 2k0f h PHE 15 N 0.55 0.60 -1.50 1.25 0.04 -1.40 -3.42 116.94 113.06 2k0f h PHE 15 Ca 0.23 -0.39 -0.48 0.00 2.80 0.00 0.00 57.97 60.12 2k0f h PHE 15 Cb 0.21 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 2k0f h PHE 15 CO -0.00 1.26 1.17 0.34 -0.60 0.00 0.00 178.31 180.48 2k0f s ASP 16 N -6.93 5.80 0.02 2.17 2.15 -0.80 -4.58 116.67 114.50 2k0f s ASP 16 Ca -0.13 -0.61 -0.21 0.00 0.43 0.00 0.00 52.55 52.03 2k0f s ASP 16 Cb 0.02 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 16 CO 0.84 -2.10 1.24 0.11 -0.17 0.00 0.00 175.17 175.09 2k0f h LYS 17 N 11.38 0.34 -5.30 4.34 1.79 -1.82 -3.42 116.57 123.88 2k0f h LYS 17 Ca -0.04 -0.23 -0.60 0.00 -2.18 0.00 0.00 60.65 57.60 2k0f h LYS 17 Cb 1.05 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.62 2k0f h LYS 17 CO 1.29 0.84 -0.46 0.16 -1.08 0.00 0.00 179.45 180.20 2k0f s ASP 18 N -6.27 6.24 -0.11 0.86 1.47 -1.26 -4.99 116.67 112.60 2k0f s ASP 18 Ca -0.14 0.27 -0.02 0.00 1.18 0.00 0.00 52.55 53.84 2k0f s ASP 18 Cb 0.04 -2.11 0.00 0.00 -0.34 0.00 0.00 42.92 40.52 2k0f s ASP 18 CO 0.76 0.16 2.39 0.61 0.68 0.00 0.00 175.17 179.77 2k0f n GLY 19 N 3.52 3.14 0.12 2.12 0.00 -1.26 -4.10 105.19 108.73 2k0f n GLY 19 Ca -0.15 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.34 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 1.67 0.00 0.00 1.61 2.03 -1.94 -3.48 116.42 116.32 2k0f h ASP 20 Ca 0.14 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 2k0f h ASP 20 Cb 1.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2k0f h ASP 20 CO 0.30 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.13 2k0f n GLY 21 N 1.27 0.71 2.73 7.15 0.00 -1.26 -5.07 105.19 110.73 2k0f n GLY 21 Ca 0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 0.38 -0.05 2.61 -4.23 -1.26 -4.31 115.64 106.78 2k0f s THR 22 Ca 0.00 -0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.97 2k0f s THR 22 Cb 0.00 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2k0f s THR 22 CO 0.00 -0.04 1.20 -0.63 -0.54 0.00 0.00 174.62 174.60 2k0f s ILE 23 N 1.94 4.26 0.17 2.99 1.01 -0.35 -4.85 121.20 126.37 2k0f s ILE 23 Ca 0.02 1.58 -0.00 0.00 0.00 0.00 0.00 60.65 62.24 2k0f s ILE 23 Cb -0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 23 CO -0.07 0.00 0.36 0.42 0.00 0.00 0.00 174.94 175.65 2k0f s THR 24 N 2.17 5.24 0.57 2.92 -4.23 -1.26 -0.57 115.64 120.49 2k0f s THR 24 Ca 0.56 -0.38 0.29 0.00 -1.18 0.00 0.00 61.69 60.97 2k0f s THR 24 Cb -0.25 -3.72 0.40 0.00 1.34 0.00 0.00 72.50 70.27 2k0f s THR 24 CO 0.22 -0.11 1.93 0.71 -0.54 0.00 0.00 174.62 176.83 2k0f h THR 25 N 1.65 0.45 -0.09 3.99 1.35 -1.95 0.56 112.91 118.88 2k0f h THR 25 Ca -0.48 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.17 2k0f h THR 25 Cb 1.19 0.65 0.01 0.00 -1.73 0.00 0.00 68.15 68.27 2k0f h THR 25 CO 0.69 0.00 -0.79 0.11 -0.25 0.00 0.00 175.52 175.28 2k0f h LYS 26 N 0.00 0.69 -0.50 4.72 1.79 -1.98 0.11 116.57 121.40 2k0f h LYS 26 Ca 0.24 -0.62 -0.13 0.00 -2.18 0.00 0.00 60.65 57.95 2k0f h LYS 26 Cb 1.16 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 2k0f h LYS 26 CO -0.00 1.23 -0.19 0.93 -1.08 0.00 0.00 179.45 180.34 2k0f h GLU 27 N 0.36 1.01 0.70 3.15 5.08 -1.74 -1.35 114.58 121.79 2k0f h GLU 27 Ca -0.07 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2k0f h GLU 27 Cb 1.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2k0f h GLU 27 CO 0.16 1.10 -0.37 1.25 -1.00 0.00 0.00 179.01 180.16 2k0f h LEU 28 N 0.88 -0.89 -0.80 1.33 5.85 -0.87 -3.10 115.31 117.71 2k0f h LEU 28 Ca 0.12 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.07 2k0f h LEU 28 Cb 0.77 0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.91 2k0f h LEU 28 CO 0.06 -0.60 0.14 1.23 -0.34 0.00 0.00 178.44 178.93 2k0f h GLY 29 N -0.98 1.09 0.37 3.75 0.00 -0.90 -2.55 103.07 103.85 2k0f h GLY 29 Ca -0.09 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.39 2k0f h GLY 29 CO 0.13 -0.30 0.57 -0.84 0.00 0.00 0.00 176.54 176.11 2k0f h THR 30 N 0.19 0.84 -0.14 4.70 2.02 -1.20 -1.69 112.91 117.63 2k0f h THR 30 Ca 0.47 -0.29 -0.22 0.00 0.77 0.00 0.00 66.41 67.14 2k0f h THR 30 Cb 0.88 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2k0f h THR 30 CO -0.63 0.16 -0.78 0.58 0.37 0.00 0.00 175.52 175.22 2k0f h VAL 31 N 0.86 1.29 -0.95 3.16 2.07 -1.38 -2.52 116.25 118.78 2k0f h VAL 31 Ca 0.49 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 66.02 2k0f h VAL 31 Cb 0.58 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2k0f h VAL 31 CO -0.30 0.63 0.62 0.24 0.02 0.00 0.00 177.57 178.78 2k0f h MET 32 N 0.50 1.26 0.00 1.57 2.86 -1.34 -2.28 114.93 117.50 2k0f h MET 32 Ca -0.05 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 32 Cb 1.40 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2k0f h MET 32 CO 0.16 0.84 -0.38 0.07 1.06 0.00 0.00 176.91 178.65 2k0f h ARG 33 N 1.29 0.00 0.00 1.72 0.11 -1.28 -0.79 114.38 115.43 2k0f h ARG 33 Ca 0.35 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.33 2k0f h ARG 33 Cb -0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.93 2k0f h ARG 33 CO -0.07 0.38 -0.44 0.77 0.10 0.00 0.00 179.97 180.71 2k0f h SER 34 N 0.00 0.00 0.42 0.08 0.02 -1.30 -3.11 113.55 109.66 2k0f h SER 34 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k0f h SER 34 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2k0f h SER 34 CO 0.05 0.44 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.91 2k0f h LEU 35 N 0.00 -0.47 0.00 5.07 3.38 -1.08 -3.43 115.31 118.78 2k0f h LEU 35 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k0f h LEU 35 Cb 1.06 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k0f h LEU 35 CO 0.06 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2k0f n GLY 36 N -0.01 -0.45 3.51 0.83 0.00 -0.33 -5.03 105.19 103.70 2k0f n GLY 36 Ca -0.09 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 1.92 -0.73 1.61 -2.07 -1.17 -4.96 119.66 114.25 2k0f s GLN 37 Ca 0.00 -1.73 -0.07 0.00 -1.82 0.00 0.00 55.36 51.75 2k0f s GLN 37 Cb 0.00 0.45 0.19 0.00 -1.09 0.00 0.00 33.01 32.56 2k0f s GLN 37 CO 0.00 -0.80 0.60 -0.80 -1.32 0.00 0.00 175.29 172.97 2k0f s ASN 38 N -3.22 5.85 0.24 12.60 0.01 -1.26 -4.06 114.94 125.10 2k0f s ASN 38 Ca 0.30 -2.92 -0.30 0.00 -0.71 0.00 0.00 52.86 49.23 2k0f s ASN 38 Cb -0.01 -1.98 -0.09 0.00 0.41 0.00 0.00 41.25 39.58 2k0f s ASN 38 CO 0.20 -0.41 1.13 -2.16 -1.51 0.00 0.00 177.10 174.34 2k0f s PRO 39 N -0.17 4.59 0.05 -0.60 0.04 -1.26 -5.03 135.00 132.61 2k0f s PRO 39 Ca 0.19 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2k0f s PRO 39 Cb -0.15 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2k0f s PRO 39 CO -0.06 0.10 0.14 0.95 0.04 0.00 0.00 177.00 178.17 2k0f s THR 40 N -0.73 4.99 0.19 1.26 -4.23 -1.26 -5.03 115.64 110.82 2k0f s THR 40 Ca 0.47 -0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 2k0f s THR 40 Cb -0.32 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2k0f s THR 40 CO 0.39 0.20 1.57 -0.08 -0.54 0.00 0.00 174.62 176.16 2k0f h GLU 41 N 3.44 0.84 -0.09 3.99 4.57 -1.97 -0.39 114.58 124.97 2k0f h GLU 41 Ca -0.47 -0.38 0.03 0.00 -1.18 0.00 0.00 59.36 57.36 2k0f h GLU 41 Cb 1.17 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.68 2k0f h GLU 41 CO 0.69 1.02 -0.48 0.00 -1.18 0.00 0.00 179.01 179.06 2k0f h ALA 42 N 0.96 -0.76 -0.62 2.92 0.00 -2.00 -0.62 119.26 119.14 2k0f h ALA 42 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 42 Cb 0.84 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2k0f h ALA 42 CO 0.07 -1.02 0.37 0.93 0.00 0.00 0.00 179.25 179.61 2k0f h GLU 43 N -0.57 0.70 -0.03 0.00 4.39 -1.97 -3.16 114.58 113.94 2k0f h GLU 43 Ca 0.05 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 43 Cb 0.67 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2k0f h GLU 43 CO -0.39 0.46 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.51 2k0f h LEU 44 N 0.72 0.06 -0.54 1.33 3.38 -0.49 -2.54 115.31 117.24 2k0f h LEU 44 Ca 0.25 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2k0f h LEU 44 Cb 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2k0f h LEU 44 CO -0.12 0.40 0.29 1.56 0.09 0.00 0.00 178.44 180.67 2k0f h GLN 45 N 0.06 0.56 0.00 1.13 4.20 -1.10 -2.96 115.11 117.00 2k0f h GLN 45 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2k0f h GLN 45 Cb 0.63 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2k0f h GLN 45 CO 0.05 0.37 0.00 0.22 -0.67 0.00 0.00 178.83 178.79 2k0f h ASP 46 N 0.57 0.00 0.27 1.46 3.58 -1.47 0.20 116.42 121.04 2k0f h ASP 46 Ca 0.23 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2k0f h ASP 46 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2k0f h ASP 46 CO -0.14 0.00 -0.13 -0.03 -2.88 0.00 0.00 179.24 176.06 2k0f h MET 47 N 0.00 -0.35 -0.69 0.28 4.05 -1.50 -3.38 114.93 113.34 2k0f h MET 47 Ca 0.00 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.54 2k0f h MET 47 Cb 0.66 0.08 -0.12 0.00 -0.80 0.00 0.00 31.60 31.42 2k0f h MET 47 CO 0.00 -0.01 -0.46 0.82 0.23 0.00 0.00 176.91 177.50 2k0f h ILE 48 N -0.81 0.06 -0.63 1.77 1.08 -1.25 -3.34 117.51 114.39 2k0f h ILE 48 Ca -0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2k0f h ILE 48 Cb 0.51 0.06 -0.09 0.00 -3.07 0.00 0.00 36.82 34.22 2k0f h ILE 48 CO 0.06 0.00 -0.55 0.78 -0.69 0.00 0.00 178.15 177.75 2k0f h ASN 49 N -0.17 -1.93 -0.32 1.72 2.35 -1.14 0.11 115.58 116.20 2k0f h ASN 49 Ca 0.20 0.27 0.01 0.00 -0.55 0.00 0.00 56.30 56.23 2k0f h ASN 49 Cb 0.55 0.82 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 2k0f h ASN 49 CO -0.76 -0.32 0.21 1.05 -1.65 0.00 0.00 177.43 175.95 2k0f h GLU 50 N -0.23 0.39 0.00 0.81 4.11 -1.77 -3.18 114.58 114.70 2k0f h GLU 50 Ca 0.10 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.47 2k0f h GLU 50 Cb 0.50 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 50 CO -0.71 0.26 -1.26 1.33 0.07 0.00 0.00 179.01 178.69 2k0f n VAL 51 N -4.49 0.67 -2.55 -1.06 0.24 -0.42 -4.74 118.33 105.98 2k0f n VAL 51 Ca 0.02 -0.58 -0.41 0.00 -2.04 0.00 0.00 64.34 61.33 2k0f n VAL 51 Cb 0.09 -0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -5.34 6.25 -0.03 -1.34 2.15 0.25 -4.83 116.67 113.78 2k0f s ASP 52 Ca -0.02 -0.74 -0.22 0.00 0.43 0.00 0.00 52.55 52.00 2k0f s ASP 52 Cb 0.10 -2.56 -0.27 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 52 CO 0.81 -1.75 0.99 0.00 -0.17 0.00 0.00 175.17 175.05 2k0f h ALA 53 N 9.99 -0.01 0.10 3.66 0.00 -1.88 -3.39 119.26 127.74 2k0f h ALA 53 Ca -0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 2k0f h ALA 53 Cb 1.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 53 CO 1.32 0.31 -0.05 0.38 0.00 0.00 0.00 179.25 181.21 2k0f h ASP 54 N -0.32 -0.12 0.00 0.00 3.04 -1.97 -3.49 116.42 113.57 2k0f h ASP 54 Ca -0.09 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 2k0f h ASP 54 Cb 1.40 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.72 2k0f h ASP 54 CO 0.12 -0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 2k0f n GLY 55 N -0.22 -0.61 0.14 7.15 0.00 -1.26 -5.05 105.19 105.33 2k0f n GLY 55 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.95 -3.48 115.58 118.84 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.60 0.00 0.61 -2.08 0.00 0.00 177.43 176.56 2k0f n GLY 57 N 0.44 0.77 3.62 9.14 0.00 -1.26 -5.09 105.19 112.81 2k0f n GLY 57 Ca -0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 2.53 -0.31 2.61 -4.23 -1.26 -4.79 115.64 108.19 2k0f s THR 58 Ca 0.00 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.28 2k0f s THR 58 Cb 0.00 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2k0f s THR 58 CO 0.00 -0.18 0.83 -0.63 -0.54 0.00 0.00 174.62 174.10 2k0f s ILE 59 N -2.54 4.75 0.49 2.99 1.01 0.27 -4.83 121.20 123.34 2k0f s ILE 59 Ca 0.35 1.27 -0.03 0.00 0.00 0.00 0.00 60.65 62.24 2k0f s ILE 59 Cb 0.01 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2k0f s ILE 59 CO 0.19 -0.28 0.76 -1.81 0.00 0.00 0.00 174.94 173.80 2k0f s ASP 60 N 1.62 5.97 0.26 3.58 1.11 -1.26 -1.21 116.67 126.73 2k0f s ASP 60 Ca 0.34 0.64 -0.04 0.00 0.18 0.00 0.00 52.55 53.67 2k0f s ASP 60 Cb -0.14 -1.89 0.30 0.00 1.07 0.00 0.00 42.92 42.27 2k0f s ASP 60 CO 0.13 -0.71 1.85 0.15 1.18 0.00 0.00 175.17 177.77 2k0f h PHE 61 N 0.23 1.08 0.00 4.23 3.57 -1.97 -1.13 116.94 122.95 2k0f h PHE 61 Ca -0.47 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 61 Cb 1.23 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2k0f h PHE 61 CO 0.51 0.79 0.00 -2.30 -2.23 0.00 0.00 178.31 175.08 2k0f n PRO 62 N -4.31 0.77 -0.10 6.41 -0.02 -1.26 -2.35 135.00 134.13 2k0f n PRO 62 Ca 0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 2k0f n PRO 62 Cb 0.15 -1.34 -0.15 0.00 -0.02 0.00 0.00 33.50 32.14 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -0.84 0.73 -0.01 -0.52 1.02 -0.73 -4.02 120.64 116.27 2k0f n GLU 63 Ca 0.13 0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.32 2k0f n GLU 63 Cb 0.06 -1.51 0.41 0.00 -0.02 0.00 0.00 31.44 30.37 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.00 0.53 -0.72 -0.32 3.57 -0.90 -1.49 116.94 117.62 2k0f h PHE 64 Ca -0.55 0.01 0.03 0.00 3.53 0.00 0.00 57.97 60.99 2k0f h PHE 64 Cb 2.17 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.69 2k0f h PHE 64 CO 0.01 0.35 0.47 -0.07 -2.23 0.00 0.00 178.31 176.84 2k0f h LEU 65 N 0.57 0.75 0.17 0.59 3.38 -1.67 -2.55 115.31 116.56 2k0f h LEU 65 Ca 0.15 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.81 2k0f h LEU 65 Cb -0.03 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.56 2k0f h LEU 65 CO -0.03 0.52 -1.35 0.74 0.09 0.00 0.00 178.44 178.41 2k0f h THR 66 N 0.88 1.39 0.50 0.22 2.02 -1.61 -2.96 112.91 113.35 2k0f h THR 66 Ca 0.29 -2.92 -0.02 0.00 0.77 0.00 0.00 66.41 64.52 2k0f h THR 66 Cb 0.05 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2k0f h THR 66 CO -0.08 0.86 -0.24 -0.03 0.37 0.00 0.00 175.52 176.40 2k0f h MET 67 N 0.10 -0.65 0.00 6.66 1.85 -1.29 -3.32 114.93 118.28 2k0f h MET 67 Ca -0.19 0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 58.95 2k0f h MET 67 Cb 2.04 0.15 0.00 0.00 0.43 0.00 0.00 31.60 34.22 2k0f h MET 67 CO 0.22 -0.38 -0.00 0.52 -0.40 0.00 0.00 176.91 176.87 2k0f h MET 68 N -0.79 -0.01 0.00 0.39 2.86 -1.60 -3.36 114.93 112.42 2k0f h MET 68 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 68 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2k0f h MET 68 CO 0.11 0.04 0.00 0.00 1.06 0.00 0.00 176.91 178.13 2k0f n ALA 69 N -2.77 1.06 -2.69 6.32 0.00 -1.12 -4.69 120.51 116.61 2k0f n ALA 69 Ca -0.01 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 2k0f n ALA 69 Cb 0.03 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -3.18 4.21 -0.10 0.00 3.52 -1.25 -5.02 118.95 117.13 2k0f s ARG 70 Ca -0.00 0.18 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 2k0f s ARG 70 Cb 0.03 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 2k0f s ARG 70 CO 0.08 0.06 0.12 0.15 -0.81 0.00 0.00 175.30 174.91 2k0f s LYS 71 N 0.99 3.36 0.00 5.12 1.02 -1.26 -5.00 119.74 123.97 2k0f s LYS 71 Ca 0.19 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2k0f s LYS 71 Cb -0.14 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2k0f s LYS 71 CO 0.07 0.76 0.00 -1.33 -0.92 0.00 0.00 175.35 173.92 2k0f n MET 72 N 1.88 3.54 -3.22 1.68 2.81 -1.26 -5.11 117.12 117.44 2k0f n MET 72 Ca -0.19 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.45 2k0f n MET 72 Cb 0.55 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.04 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 1.89 3.52 0.41 0.03 1.02 -1.26 -4.98 119.74 120.36 2k0f s LYS 73 Ca 0.00 -0.17 0.08 0.00 0.02 0.00 0.00 55.97 55.91 2k0f s LYS 73 Cb 0.00 -2.60 0.88 0.00 -0.52 0.00 0.00 37.83 35.59 2k0f s LYS 73 CO 0.00 0.09 2.02 -0.44 -0.92 0.00 0.00 175.35 176.11 2k0f h ASP 74 N 0.83 0.48 -0.45 2.83 3.32 -1.99 -0.03 116.42 121.41 2k0f h ASP 74 Ca -0.49 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 56.63 2k0f h ASP 74 Cb 1.21 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 2k0f h ASP 74 CO 0.62 0.33 0.10 0.71 -1.72 0.00 0.00 179.24 179.29 2k0f h THR 75 N 0.56 0.77 -0.06 0.35 1.35 -1.99 -0.87 112.91 113.02 2k0f h THR 75 Ca 0.21 -0.08 -0.06 0.00 -0.55 0.00 0.00 66.41 65.92 2k0f h THR 75 Cb 0.13 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 2k0f h THR 75 CO -0.05 0.04 -0.20 0.44 -0.25 0.00 0.00 175.52 175.50 2k0f h ASP 76 N 0.24 0.27 0.24 5.36 3.32 -1.84 -3.23 116.42 120.79 2k0f h ASP 76 Ca 0.22 -0.62 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 2k0f h ASP 76 Cb 0.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2k0f h ASP 76 CO -0.28 0.85 -0.23 -1.28 -1.72 0.00 0.00 179.24 176.58 2k0f h SER 77 N -0.29 0.00 0.66 6.45 0.87 -0.87 -1.61 113.55 118.77 2k0f h SER 77 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2k0f h SER 77 Cb 0.83 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2k0f h SER 77 CO 0.04 0.23 -0.32 -0.08 -0.53 0.00 0.00 176.83 176.18 2k0f h GLU 78 N 0.00 -0.85 -0.44 2.24 4.81 -1.25 -0.81 114.58 118.28 2k0f h GLU 78 Ca -0.00 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 78 Cb 0.42 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 78 CO 0.03 -0.53 0.29 1.49 -0.73 0.00 0.00 179.01 179.56 2k0f h GLU 79 N -1.12 0.44 -0.93 1.92 4.57 -1.43 -2.55 114.58 115.48 2k0f h GLU 79 Ca -0.09 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 79 Cb 0.72 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 2k0f h GLU 79 CO 0.15 0.29 0.62 1.49 -1.18 0.00 0.00 179.01 180.38 2k0f h GLU 80 N 0.46 1.23 -0.41 1.92 4.81 -1.24 -1.41 114.58 119.94 2k0f h GLU 80 Ca 0.18 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 80 Cb 0.15 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 80 CO -0.04 0.82 0.16 0.82 -0.73 0.00 0.00 179.01 180.03 2k0f h ILE 81 N 1.27 1.20 0.00 2.32 1.08 -0.71 -2.66 117.51 120.00 2k0f h ILE 81 Ca 0.34 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 64.15 2k0f h ILE 81 Cb -0.14 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2k0f h ILE 81 CO -0.07 0.22 -0.20 0.08 -0.69 0.00 0.00 178.15 177.49 2k0f h ARG 82 N 0.52 0.00 0.00 2.37 0.11 -1.40 -1.88 114.38 114.10 2k0f h ARG 82 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 2k0f h ARG 82 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2k0f h ARG 82 CO -0.01 0.20 0.00 0.93 0.10 0.00 0.00 179.97 181.19 2k0f h GLU 83 N 0.00 0.00 0.02 0.08 4.39 -1.22 -1.45 114.58 116.40 2k0f h GLU 83 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 83 CO 0.03 0.00 -0.17 0.00 -1.16 0.00 0.00 179.01 177.70 2k0f h ALA 84 N 2.39 -0.00 -0.81 3.43 0.00 -1.02 -3.31 119.26 119.95 2k0f h ALA 84 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 84 Cb 0.75 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2k0f h ALA 84 CO 0.00 0.05 0.44 0.35 0.00 0.00 0.00 179.25 180.09 2k0f h PHE 85 N -0.74 0.79 0.00 0.00 3.04 -1.36 -2.63 116.94 116.04 2k0f h PHE 85 Ca -0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2k0f h PHE 85 Cb 1.04 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.32 2k0f h PHE 85 CO 0.23 0.27 0.00 -0.09 -2.02 0.00 0.00 178.31 176.70 2k0f h ARG 86 N 0.70 0.00 0.04 1.11 2.43 -1.37 -0.51 114.38 116.78 2k0f h ARG 86 Ca 0.41 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.45 2k0f h ARG 86 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 86 CO -0.29 0.00 -0.68 0.28 -1.51 0.00 0.00 179.97 177.77 2k0f h VAL 87 N 0.00 1.40 -0.11 0.20 2.07 -1.59 -3.40 116.25 114.82 2k0f h VAL 87 Ca 0.00 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.21 2k0f h VAL 87 Cb 0.51 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 2k0f h VAL 87 CO 0.00 0.57 -0.09 0.15 0.02 0.00 0.00 177.57 178.22 2k0f h PHE 88 N -0.78 -0.23 -3.00 1.57 3.57 -1.03 -3.37 116.94 113.68 2k0f h PHE 88 Ca -0.16 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.79 2k0f h PHE 88 Cb 1.31 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.12 2k0f h PHE 88 CO 0.20 -0.14 1.13 0.34 -2.23 0.00 0.00 178.31 177.60 2k0f s ASP 89 N -5.11 6.15 0.07 0.41 2.15 -0.26 -4.93 116.67 115.14 2k0f s ASP 89 Ca -0.14 0.76 -0.16 0.00 0.43 0.00 0.00 52.55 53.44 2k0f s ASP 89 Cb 0.09 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 89 CO 0.68 -1.60 1.33 0.50 -0.17 0.00 0.00 175.17 175.91 2k0f h LYS 90 N 11.43 0.61 -0.05 4.34 1.63 -1.87 -3.38 116.57 129.28 2k0f h LYS 90 Ca -0.28 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.11 2k0f h LYS 90 Cb 1.12 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2k0f h LYS 90 CO 1.11 1.01 -0.01 0.38 -3.45 0.00 0.00 179.45 178.48 2k0f h ASP 91 N 0.29 0.10 0.00 4.20 2.03 -1.95 -3.48 116.42 117.60 2k0f h ASP 91 Ca 0.01 -0.37 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2k0f h ASP 91 Cb 0.99 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 2k0f h ASP 91 CO 0.09 0.44 0.00 0.61 -1.03 0.00 0.00 179.24 179.35 2k0f n GLY 92 N -0.11 1.45 0.10 7.15 0.00 -1.26 -4.98 105.19 107.54 2k0f n GLY 92 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.72 2k0f h ASN 93 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.28 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.04 0.00 0.61 0.07 0.00 0.00 177.43 178.15 2k0f n GLY 94 N 1.29 1.22 3.88 9.14 0.00 -1.26 -5.04 105.19 114.42 2k0f n GLY 94 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.57 3.60 -0.35 1.61 2.02 -1.26 -4.23 117.35 116.16 2k0f s TYR 95 Ca 0.00 0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 57.12 2k0f s TYR 95 Cb 0.00 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2k0f s TYR 95 CO 0.00 0.70 0.19 0.42 -1.57 0.00 0.00 175.55 175.30 2k0f s ILE 96 N -1.12 4.69 0.32 2.71 1.01 0.39 -4.94 121.20 124.25 2k0f s ILE 96 Ca 0.19 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2k0f s ILE 96 Cb -0.13 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 2k0f s ILE 96 CO 0.09 -0.11 0.64 -0.55 0.00 0.00 0.00 174.94 175.01 2k0f s SER 97 N 1.60 6.54 0.16 3.58 0.15 -1.26 -0.52 113.70 123.94 2k0f s SER 97 Ca 0.04 0.94 0.24 0.00 0.70 0.00 0.00 55.95 57.87 2k0f s SER 97 Cb -0.18 -2.24 0.91 0.00 -1.71 0.00 0.00 66.02 62.80 2k0f s SER 97 CO 0.07 -0.23 1.74 0.00 1.20 0.00 0.00 173.24 176.01 2k0f n ALA 98 N -0.82 2.00 0.01 5.45 0.00 -1.25 -1.86 120.51 124.04 2k0f n ALA 98 Ca 0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2k0f n ALA 98 Cb 0.54 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 2k0f n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0f h ALA 99 N 2.53 0.06 -0.23 0.00 0.00 -1.93 -3.01 119.26 116.68 2k0f h ALA 99 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 99 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 99 CO 0.00 0.38 0.11 0.93 0.00 0.00 0.00 179.25 180.66 2k0f h GLU 100 N -0.10 0.32 -0.70 0.00 5.08 -1.76 -1.26 114.58 116.17 2k0f h GLU 100 Ca -0.09 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 100 Cb 1.38 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.48 2k0f h GLU 100 CO 0.13 0.34 0.25 1.25 -1.00 0.00 0.00 179.01 179.98 2k0f h LEU 101 N 0.23 0.22 0.20 1.33 5.85 -1.51 -1.93 115.31 119.70 2k0f h LEU 101 Ca 0.08 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 101 Cb 0.12 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2k0f h LEU 101 CO -0.01 0.10 -0.24 -0.09 -0.34 0.00 0.00 178.44 177.85 2k0f h ARG 102 N 0.40 -0.48 0.09 1.25 2.43 -1.38 -2.97 114.38 113.73 2k0f h ARG 102 Ca 0.37 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.60 2k0f h ARG 102 Cb 0.54 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2k0f h ARG 102 CO -0.38 -0.32 -0.45 1.25 -1.51 0.00 0.00 179.97 178.56 2k0f h HIS 103 N -0.50 -1.27 -0.67 2.20 2.76 -0.87 0.47 115.15 117.27 2k0f h HIS 103 Ca 0.01 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.30 2k0f h HIS 103 Cb 0.48 0.54 -0.07 0.00 1.55 0.00 0.00 27.41 29.91 2k0f h HIS 103 CO -0.19 -0.53 0.31 -0.24 -1.30 0.00 0.00 177.93 175.98 2k0f h VAL 104 N -0.66 0.83 -0.02 5.26 3.04 -1.42 -1.31 116.25 121.97 2k0f h VAL 104 Ca 0.02 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.45 2k0f h VAL 104 Cb 0.70 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 2k0f h VAL 104 CO -0.27 0.10 -0.34 0.24 -1.01 0.00 0.00 177.57 176.29 2k0f h MET 105 N 0.54 0.04 -0.58 4.17 2.86 -1.31 0.27 114.93 120.91 2k0f h MET 105 Ca 0.33 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 2k0f h MET 105 Cb 0.37 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2k0f h MET 105 CO -0.28 0.37 0.12 1.15 1.06 0.00 0.00 176.91 179.33 2k0f h THR 106 N 0.03 1.24 -0.03 2.22 2.02 -0.31 -0.04 112.91 118.04 2k0f h THR 106 Ca 0.00 -0.90 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 2k0f h THR 106 Cb 0.61 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2k0f h THR 106 CO 0.04 0.34 -0.33 0.78 0.37 0.00 0.00 175.52 176.72 2k0f h ASN 107 N 0.88 0.35 -0.87 4.18 2.35 -0.71 -3.26 115.58 118.50 2k0f h ASN 107 Ca 0.19 -0.71 0.21 0.00 -0.55 0.00 0.00 56.30 55.44 2k0f h ASN 107 Cb 0.35 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 38.49 2k0f h ASN 107 CO 0.00 1.00 0.33 -0.07 -1.65 0.00 0.00 177.43 177.05 2k0f h LEU 108 N -0.28 0.22 0.00 1.61 3.38 -0.45 -3.47 115.31 116.33 2k0f h LEU 108 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k0f h LEU 108 Cb 1.03 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k0f h LEU 108 CO 0.07 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2k0f n GLY 109 N -1.35 0.84 2.99 0.83 0.00 -0.38 -5.07 105.19 103.07 2k0f n GLY 109 Ca 0.21 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -1.83 0.36 -0.85 1.61 2.12 -0.17 -5.03 118.70 114.91 2k0f s GLU 110 Ca 0.00 -0.53 -0.10 0.00 0.36 0.00 0.00 54.97 54.70 2k0f s GLU 110 Cb 0.00 -0.11 0.22 0.00 0.26 0.00 0.00 34.13 34.50 2k0f s GLU 110 CO 0.00 0.01 0.77 0.21 -0.54 0.00 0.00 175.26 175.71 2k0f s LYS 111 N -1.14 3.49 -0.10 4.30 2.20 -1.26 -3.85 119.74 123.37 2k0f s LYS 111 Ca -0.09 -2.70 -0.27 0.00 -0.36 0.00 0.00 55.97 52.54 2k0f s LYS 111 Cb -0.08 -4.27 -0.02 0.00 -1.51 0.00 0.00 37.83 31.95 2k0f s LYS 111 CO -0.00 -1.26 0.88 -0.51 -0.36 0.00 0.00 175.35 174.10 2k0f s LEU 112 N -0.31 4.26 0.00 5.43 2.01 -1.26 -5.07 118.68 123.75 2k0f s LEU 112 Ca 0.21 1.36 -0.01 0.00 0.01 0.00 0.00 54.13 55.70 2k0f s LEU 112 Cb -0.12 -3.35 0.13 0.00 0.01 0.00 0.00 46.19 42.87 2k0f s LEU 112 CO -0.08 -0.32 0.89 0.35 1.01 0.00 0.00 176.35 178.20 2k0f n THR 113 N 4.32 0.00 -0.01 5.49 -2.24 -1.26 -4.91 114.28 115.66 2k0f n THR 113 Ca 0.05 -1.33 -0.13 0.00 -2.27 0.00 0.00 64.05 60.37 2k0f n THR 113 Cb 0.50 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.60 -0.01 -1.00 3.42 5.19 -1.99 -1.55 116.42 119.88 2k0f h ASP 114 Ca -0.29 -0.52 0.16 0.00 -0.62 0.00 0.00 57.03 55.76 2k0f h ASP 114 Cb 1.06 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.48 2k0f h ASP 114 CO 0.31 0.52 0.62 -0.33 -3.12 0.00 0.00 179.24 177.23 2k0f h GLU 115 N -0.55 0.82 -0.06 3.56 5.08 -1.98 -0.65 114.58 120.81 2k0f h GLU 115 Ca -0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 115 Cb 0.53 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 115 CO 0.00 0.54 -0.45 0.93 -1.00 0.00 0.00 179.01 179.04 2k0f h GLU 116 N 0.85 0.40 -0.45 2.33 5.08 -1.88 -0.79 114.58 120.11 2k0f h GLU 116 Ca 0.54 -0.36 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 116 Cb 0.74 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 2k0f h GLU 116 CO -0.32 1.01 -0.18 0.28 -1.00 0.00 0.00 179.01 178.79 2k0f h VAL 117 N -0.08 0.43 -0.58 3.13 2.07 -0.94 -1.16 116.25 119.12 2k0f h VAL 117 Ca -0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2k0f h VAL 117 Cb 1.12 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2k0f h VAL 117 CO 0.09 0.00 0.15 -0.78 0.02 0.00 0.00 177.57 177.05 2k0f h ASP 118 N -0.08 0.87 -0.71 0.57 3.58 -1.10 -0.31 116.42 119.24 2k0f h ASP 118 Ca 0.22 -0.23 0.07 0.00 0.42 0.00 0.00 57.03 57.51 2k0f h ASP 118 Cb 0.42 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 2k0f h ASP 118 CO -0.51 0.87 0.39 -0.08 -2.88 0.00 0.00 179.24 177.03 2k0f h GLU 119 N 0.82 0.67 -0.19 0.28 4.81 -0.92 -1.20 114.58 118.86 2k0f h GLU 119 Ca 0.18 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 119 Cb 0.33 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 119 CO 0.00 0.44 -0.09 0.52 -0.73 0.00 0.00 179.01 179.15 2k0f h MET 120 N 0.69 0.39 -0.50 1.92 2.86 -0.87 -3.18 114.93 116.25 2k0f h MET 120 Ca 0.33 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 120 Cb 0.26 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2k0f h MET 120 CO -0.22 0.70 -0.19 0.97 1.06 0.00 0.00 176.91 179.23 2k0f h ILE 121 N 0.08 1.27 -0.08 -1.22 6.09 -0.87 0.93 117.51 123.71 2k0f h ILE 121 Ca 0.04 -1.36 -0.04 0.00 -1.37 0.00 0.00 64.86 62.14 2k0f h ILE 121 Cb 0.58 1.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 2k0f h ILE 121 CO 0.03 0.47 -0.12 -0.09 -3.07 0.00 0.00 178.15 175.37 2k0f h ARG 122 N 0.87 0.12 0.01 2.19 9.65 -1.31 -0.26 114.38 125.64 2k0f h ARG 122 Ca 0.12 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2k0f h ARG 122 Cb 0.77 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2k0f h ARG 122 CO 0.06 0.25 -0.00 1.49 2.80 0.00 0.00 179.97 184.57 2k0f h GLU 123 N 0.12 -0.01 -0.27 0.20 4.81 -1.33 -3.38 114.58 114.72 2k0f h GLU 123 Ca 0.03 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 123 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2k0f h GLU 123 CO 0.02 0.83 -0.58 0.00 -0.73 0.00 0.00 179.01 178.55 2k0f h ALA 124 N -0.09 0.45 -2.50 2.92 0.00 -0.80 -3.45 119.26 115.80 2k0f h ALA 124 Ca -0.00 -0.53 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 2k0f h ALA 124 Cb 0.84 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2k0f h ALA 124 CO 0.00 0.68 0.78 0.34 0.00 0.00 0.00 179.25 181.06 2k0f s ASP 125 N -6.98 6.80 -0.10 0.00 -1.08 -0.12 -4.63 116.67 110.57 2k0f s ASP 125 Ca -0.10 2.31 -0.07 0.00 -0.52 0.00 0.00 52.55 54.16 2k0f s ASP 125 Cb 0.10 -2.58 -0.27 0.00 -1.46 0.00 0.00 42.92 38.71 2k0f s ASP 125 CO 0.89 -0.70 0.46 0.40 0.52 0.00 0.00 175.17 176.75 2k0f h ILE 126 N 4.45 0.72 -0.05 4.11 2.04 -1.89 -3.34 117.51 123.55 2k0f h ILE 126 Ca -0.41 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.04 2k0f h ILE 126 Cb 1.20 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 39.86 2k0f h ILE 126 CO 0.88 0.88 0.00 0.44 0.00 0.00 0.00 178.15 180.36 2k0f h ASP 127 N 0.08 0.09 0.00 1.72 3.32 -1.95 -3.48 116.42 116.20 2k0f h ASP 127 Ca -0.40 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.37 2k0f h ASP 127 Cb 2.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.58 2k0f h ASP 127 CO 0.11 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.59 2k0f n GLY 128 N -0.34 1.45 0.11 2.75 0.00 -1.26 -5.05 105.19 102.86 2k0f n GLY 128 Ca -0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.31 0.00 1.61 2.03 -1.93 -3.49 116.42 114.95 2k0f h ASP 129 Ca 0.00 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 2k0f h ASP 129 Cb 0.09 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2k0f h ASP 129 CO 0.00 1.47 0.00 0.61 -1.03 0.00 0.00 179.24 180.29 2k0f n GLY 130 N 1.67 1.12 3.61 7.15 0.00 -1.26 -5.08 105.19 112.40 2k0f n GLY 130 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N 0.00 4.02 -0.04 1.61 -0.21 -1.26 -3.74 119.66 120.04 2k0f s GLN 131 Ca 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.10 2k0f s GLN 131 Cb 0.00 -3.65 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 2k0f s GLN 131 CO 0.00 -0.25 1.06 0.08 -2.12 0.00 0.00 175.29 174.05 2k0f s VAL 132 N 2.00 4.62 0.64 1.09 1.01 0.32 -4.86 120.40 125.22 2k0f s VAL 132 Ca 0.14 1.89 0.04 0.00 0.00 0.00 0.00 61.98 64.05 2k0f s VAL 132 Cb -0.16 -4.21 0.10 0.00 0.00 0.00 0.00 36.38 32.11 2k0f s VAL 132 CO 0.10 0.07 0.89 0.54 0.00 0.00 0.00 175.10 176.70 2k0f s ASN 133 N 1.13 4.73 0.13 3.32 2.20 -1.26 -0.46 114.94 124.73 2k0f s ASN 133 Ca 0.52 -0.54 -0.29 0.00 -0.94 0.00 0.00 52.86 51.61 2k0f s ASN 133 Cb -0.22 0.04 -0.06 0.00 -2.00 0.00 0.00 41.25 39.02 2k0f s ASN 133 CO 0.24 -1.58 1.58 0.22 -2.94 0.00 0.00 177.10 174.61 2k0f h TYR 134 N -0.18 -1.29 -0.00 1.54 3.20 -1.99 -1.38 116.97 116.88 2k0f h TYR 134 Ca -0.34 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.50 2k0f h TYR 134 Cb 1.28 0.59 -0.01 0.00 1.54 0.00 0.00 36.73 40.13 2k0f h TYR 134 CO 0.09 -0.48 -0.37 1.49 -1.64 0.00 0.00 178.16 177.25 2k0f h GLU 135 N -0.47 0.01 0.12 1.82 4.81 -1.97 -2.13 114.58 116.76 2k0f h GLU 135 Ca 0.08 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 135 Cb 0.63 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2k0f h GLU 135 CO -0.44 0.37 -0.06 0.93 -0.73 0.00 0.00 179.01 179.09 2k0f h GLU 136 N 0.00 -0.15 -0.57 1.92 5.08 -1.80 -1.86 114.58 117.20 2k0f h GLU 136 Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 136 Cb 0.66 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 136 CO 0.05 -0.08 0.28 0.35 -1.00 0.00 0.00 179.01 178.61 2k0f h PHE 137 N -0.18 0.50 0.02 4.33 3.57 -0.96 -1.05 116.94 123.18 2k0f h PHE 137 Ca -0.02 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 137 Cb 0.14 -0.14 0.02 0.00 2.79 0.00 0.00 35.95 38.76 2k0f h PHE 137 CO -0.06 0.22 -0.81 0.28 -2.23 0.00 0.00 178.31 175.71 2k0f h VAL 138 N 0.52 1.37 0.00 1.41 2.07 -1.37 -2.72 116.25 117.54 2k0f h VAL 138 Ca 0.26 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 2k0f h VAL 138 Cb 0.21 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2k0f h VAL 138 CO -0.20 0.65 -0.04 -0.61 0.02 0.00 0.00 177.57 177.39 2k0f h GLN 139 N 0.07 0.00 -0.25 1.57 4.15 -1.01 0.13 115.11 119.76 2k0f h GLN 139 Ca -0.11 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 2k0f h GLN 139 Cb 1.51 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.19 2k0f h GLN 139 CO 0.16 0.04 -0.22 1.98 -1.93 0.00 0.00 178.83 178.86 2k0f h MET 140 N 0.00 0.59 -0.27 1.69 4.05 -0.90 -3.33 114.93 116.76 2k0f h MET 140 Ca -0.00 -0.30 -0.15 0.00 -0.28 0.00 0.00 59.70 58.97 2k0f h MET 140 Cb 0.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2k0f h MET 140 CO 0.00 0.89 -0.41 0.52 0.23 0.00 0.00 176.91 178.15 2k0f h MET 141 N 0.31 0.75 0.00 0.39 2.86 -1.02 -3.51 114.93 114.71 2k0f h MET 141 Ca 0.04 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2k0f h MET 141 Cb 0.77 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2k0f h MET 141 CO 0.06 1.08 0.00 0.25 1.06 0.00 0.00 176.91 179.35