#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 0.00 0.00 -0.78 9.09 -2.05 -2.72 114.58 118.11 2k0f h GLU 2 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2k0f h GLU 2 CO 0.00 0.00 -0.34 1.49 0.05 0.00 0.00 179.01 180.21 2k0f h GLU 3 N 0.00 0.00 0.05 1.06 4.81 -2.06 -1.90 114.58 116.54 2k0f h GLU 3 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 3 Cb 0.64 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2k0f h GLU 3 CO 0.00 0.34 -0.98 1.96 -0.73 0.00 0.00 179.01 179.60 2k0f h GLN 4 N 0.00 0.10 -1.01 1.92 4.20 -1.96 -3.18 115.11 115.18 2k0f h GLN 4 Ca -0.00 -0.16 0.22 0.00 0.06 0.00 0.00 58.65 58.76 2k0f h GLN 4 Cb 0.71 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.43 2k0f h GLN 4 CO 0.04 1.08 0.61 0.82 -0.67 0.00 0.00 178.83 180.71 2k0f h ILE 5 N -0.73 0.62 -0.87 2.54 1.08 -1.55 0.92 117.51 119.52 2k0f h ILE 5 Ca -0.24 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 2k0f h ILE 5 Cb 1.40 -0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 2k0f h ILE 5 CO -0.05 0.12 0.57 0.00 -0.69 0.00 0.00 178.15 178.10 2k0f h ALA 6 N 1.68 1.46 -0.03 1.87 0.00 -1.40 -0.78 119.26 122.06 2k0f h ALA 6 Ca 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2k0f h ALA 6 Cb 1.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 6 CO -0.41 0.46 -0.06 0.93 0.00 0.00 0.00 179.25 180.17 2k0f h GLU 7 N 1.09 0.09 -0.44 0.00 5.08 -1.23 -3.07 114.58 116.10 2k0f h GLU 7 Ca 0.34 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2k0f h GLU 7 Cb 0.02 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 7 CO -0.10 0.63 -0.37 0.74 -1.00 0.00 0.00 179.01 178.91 2k0f h PHE 8 N -0.44 -1.04 -0.69 4.33 0.04 -0.72 -2.29 116.94 116.14 2k0f h PHE 8 Ca 0.00 0.06 0.12 0.00 2.80 0.00 0.00 57.97 60.96 2k0f h PHE 8 Cb 0.63 0.52 -0.09 0.00 2.20 0.00 0.00 35.95 39.21 2k0f h PHE 8 CO 0.12 -0.40 0.25 -0.22 -0.60 0.00 0.00 178.31 177.45 2k0f h LYS 9 N -0.26 0.39 0.01 1.51 3.64 -1.22 0.47 116.57 121.10 2k0f h LYS 9 Ca 0.17 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.27 2k0f h LYS 9 Cb 0.56 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2k0f h LYS 9 CO -0.58 0.26 -1.02 1.49 -2.27 0.00 0.00 179.45 177.33 2k0f h GLU 10 N 0.40 0.60 -0.42 1.90 4.81 -1.42 -1.42 114.58 119.04 2k0f h GLU 10 Ca 0.37 -0.65 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2k0f h GLU 10 Cb 0.53 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 10 CO -0.38 1.26 0.04 0.00 -0.73 0.00 0.00 179.01 179.20 2k0f h ALA 11 N 0.51 1.28 -0.68 2.92 0.00 -1.18 -2.35 119.26 119.76 2k0f h ALA 11 Ca -0.12 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 11 Cb 1.67 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 19.17 2k0f h ALA 11 CO 0.19 0.49 0.08 0.35 0.00 0.00 0.00 179.25 180.37 2k0f h PHE 12 N 0.63 0.10 0.00 0.00 3.04 -0.61 -2.79 116.94 117.31 2k0f h PHE 12 Ca 0.13 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.13 2k0f h PHE 12 Cb 0.34 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.91 2k0f h PHE 12 CO 0.02 -0.13 0.00 0.45 -2.02 0.00 0.00 178.31 176.62 2k0f n SER 13 N -5.23 0.00 -0.00 0.41 2.88 -0.56 0.04 113.62 111.16 2k0f n SER 13 Ca 0.12 0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 2k0f n SER 13 Cb 0.41 -0.29 0.13 0.00 -0.75 0.00 0.00 64.21 63.72 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2k0f h LEU 14 N 0.00 0.57 0.07 2.46 3.38 -1.42 -3.36 115.31 117.01 2k0f h LEU 14 Ca 0.00 -0.23 -0.36 0.00 0.09 0.00 0.00 57.88 57.37 2k0f h LEU 14 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2k0f h LEU 14 CO 0.00 0.88 -2.06 0.49 0.09 0.00 0.00 178.44 177.83 2k0f n PHE 15 N -4.05 0.85 -2.14 1.13 3.72 0.11 -4.62 117.46 112.45 2k0f n PHE 15 Ca -0.01 0.21 -0.41 0.00 -0.05 0.00 0.00 57.45 57.18 2k0f n PHE 15 Cb 0.48 -1.11 -0.03 0.00 -0.94 0.00 0.00 39.48 37.89 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -6.92 5.76 0.01 4.37 2.15 -1.05 -4.63 116.67 116.36 2k0f s ASP 16 Ca -0.27 0.66 -0.19 0.00 0.43 0.00 0.00 52.55 53.17 2k0f s ASP 16 Cb 0.08 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 16 CO 0.69 -1.93 1.10 0.50 -0.17 0.00 0.00 175.17 175.37 2k0f h LYS 17 N 13.00 0.44 0.00 4.34 3.64 -1.82 -3.44 116.57 132.73 2k0f h LYS 17 Ca -0.29 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 2k0f h LYS 17 Cb 1.14 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2k0f h LYS 17 CO 1.14 1.13 0.00 -0.40 -2.27 0.00 0.00 179.45 179.05 2k0f n ASP 18 N -4.18 0.00 0.00 4.20 5.68 -1.26 -5.04 116.55 115.95 2k0f n ASP 18 Ca -0.10 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2k0f n ASP 18 Cb 0.70 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 2.38 -0.02 0.14 6.12 0.00 -1.26 -5.03 105.19 107.53 2k0f n GLY 19 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 -0.34 1.61 3.04 -1.96 -3.47 116.42 115.30 2k0f h ASP 20 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 20 CO 0.00 0.51 -0.00 0.61 -2.04 0.00 0.00 179.24 178.31 2k0f n GLY 21 N 1.09 0.54 2.70 7.15 0.00 -1.26 -5.03 105.19 110.38 2k0f n GLY 21 Ca 0.02 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.31 -0.16 -0.35 2.61 -4.23 -1.26 -3.80 115.64 106.13 2k0f s THR 22 Ca 0.00 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 2k0f s THR 22 Cb -0.00 -0.36 -0.00 0.00 1.34 0.00 0.00 72.50 73.48 2k0f s THR 22 CO 0.00 0.00 0.57 -0.63 -0.54 0.00 0.00 174.62 174.03 2k0f s ILE 23 N 2.21 4.96 1.06 2.99 1.01 -0.45 -4.86 121.20 128.11 2k0f s ILE 23 Ca 0.04 0.49 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 2k0f s ILE 23 Cb -0.14 -4.01 0.22 0.00 0.01 0.00 0.00 42.46 38.54 2k0f s ILE 23 CO -0.06 -0.25 1.08 0.42 0.00 0.00 0.00 174.94 176.13 2k0f s THR 24 N 2.54 1.96 0.17 2.92 -4.23 -1.26 -2.68 115.64 115.06 2k0f s THR 24 Ca 0.22 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 2k0f s THR 24 Cb -0.15 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.31 2k0f s THR 24 CO 0.14 0.00 1.61 0.71 -0.54 0.00 0.00 174.62 176.54 2k0f h THR 25 N -2.12 1.27 -0.58 3.99 1.35 -1.96 -2.25 112.91 112.61 2k0f h THR 25 Ca -0.55 -1.19 0.06 0.00 -0.55 0.00 0.00 66.41 64.17 2k0f h THR 25 Cb 1.33 0.89 -0.05 0.00 -1.73 0.00 0.00 68.15 68.59 2k0f h THR 25 CO 0.55 0.43 0.28 0.11 -0.25 0.00 0.00 175.52 176.64 2k0f h LYS 26 N 0.91 0.52 -0.18 4.72 1.57 -1.97 0.16 116.57 122.29 2k0f h LYS 26 Ca 0.15 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2k0f h LYS 26 Cb 0.61 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2k0f h LYS 26 CO 0.04 0.34 -0.03 0.93 -0.57 0.00 0.00 179.45 180.16 2k0f h GLU 27 N 0.53 0.27 0.00 3.15 5.08 -1.85 -1.04 114.58 120.72 2k0f h GLU 27 Ca 0.27 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2k0f h GLU 27 Cb 0.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 27 CO -0.20 0.32 -0.14 1.25 -1.00 0.00 0.00 179.01 179.25 2k0f h LEU 28 N 0.26 0.00 -2.01 1.33 5.85 -1.16 -3.38 115.31 116.20 2k0f h LEU 28 Ca 0.06 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.88 2k0f h LEU 28 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2k0f h LEU 28 CO 0.01 1.03 -0.04 1.23 -0.34 0.00 0.00 178.44 180.33 2k0f h GLY 29 N -1.00 0.00 0.91 3.75 0.00 -0.53 -2.92 103.07 103.28 2k0f h GLY 29 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 2k0f h GLY 29 CO -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.49 2k0f h THR 30 N 0.00 1.27 0.17 4.70 1.03 -1.36 -1.27 112.91 117.45 2k0f h THR 30 Ca -0.00 -1.02 -0.00 0.00 -0.01 0.00 0.00 66.41 65.37 2k0f h THR 30 Cb 0.33 1.26 -0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2k0f h THR 30 CO 0.00 0.34 -0.11 0.58 -0.01 0.00 0.00 175.52 176.32 2k0f h VAL 31 N 0.41 0.76 -0.53 0.00 2.07 -1.69 -1.55 116.25 115.71 2k0f h VAL 31 Ca 0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 31 Cb 0.49 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 30.92 2k0f h VAL 31 CO 0.02 0.00 -0.29 0.24 0.02 0.00 0.00 177.57 177.56 2k0f h MET 32 N -0.28 -0.15 0.00 1.57 2.86 -1.56 -1.84 114.93 115.53 2k0f h MET 32 Ca -0.01 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 32 Cb 0.24 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2k0f h MET 32 CO 0.01 -0.10 -0.06 -0.09 1.06 0.00 0.00 176.91 177.73 2k0f h ARG 33 N -0.16 0.00 -0.01 1.72 2.43 -1.12 -1.51 114.38 115.72 2k0f h ARG 33 Ca 0.23 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 33 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2k0f h ARG 33 CO -0.62 0.06 -0.81 0.77 -1.51 0.00 0.00 179.97 177.86 2k0f h SER 34 N 0.00 0.25 0.30 -3.80 0.02 -0.74 -3.32 113.55 106.26 2k0f h SER 34 Ca -0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 34 Cb 0.88 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2k0f h SER 34 CO 0.01 0.96 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.44 2k0f h LEU 35 N 0.12 -0.34 0.00 5.07 3.38 -1.19 -3.48 115.31 118.86 2k0f h LEU 35 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 35 Cb 1.41 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2k0f h LEU 35 CO 0.12 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.10 2k0f n GLY 36 N -0.19 0.00 3.41 0.83 0.00 -0.94 -5.10 105.19 103.21 2k0f n GLY 36 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 1.49 -0.67 1.61 -0.21 -0.61 -5.00 119.66 116.26 2k0f s GLN 37 Ca 0.00 -1.44 0.05 0.00 0.02 0.00 0.00 55.36 53.99 2k0f s GLN 37 Cb 0.00 -1.88 0.16 0.00 1.00 0.00 0.00 33.01 32.29 2k0f s GLN 37 CO 0.00 0.42 0.45 -0.80 -2.12 0.00 0.00 175.29 173.24 2k0f s ASN 38 N -2.41 4.69 0.82 5.90 -0.87 -1.26 -3.85 114.94 117.97 2k0f s ASN 38 Ca 0.18 -3.70 -0.11 0.00 -1.57 0.00 0.00 52.86 47.66 2k0f s ASN 38 Cb -0.09 -1.62 0.08 0.00 -0.02 0.00 0.00 41.25 39.61 2k0f s ASN 38 CO 0.08 -0.11 1.09 -2.16 -2.57 0.00 0.00 177.10 173.44 2k0f s PRO 39 N -1.23 1.88 -0.23 -0.60 0.04 -1.26 -5.03 135.00 128.57 2k0f s PRO 39 Ca 0.24 0.72 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 2k0f s PRO 39 Cb -0.08 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k0f s PRO 39 CO -0.14 -1.79 0.12 0.99 0.04 0.00 0.00 177.00 176.23 2k0f s THR 40 N -3.08 5.03 0.39 1.26 2.01 -1.26 -5.01 115.64 114.99 2k0f s THR 40 Ca 0.61 0.06 0.12 0.00 0.31 0.00 0.00 61.69 62.80 2k0f s THR 40 Cb -0.15 -3.33 0.12 0.00 0.01 0.00 0.00 72.50 69.15 2k0f s THR 40 CO 0.55 0.37 1.88 -0.33 -0.69 0.00 0.00 174.62 176.40 2k0f h GLU 41 N 7.50 0.04 0.27 4.92 5.08 -1.97 0.47 114.58 130.89 2k0f h GLU 41 Ca -0.37 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 41 Cb 1.17 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2k0f h GLU 41 CO 0.64 0.33 -0.36 0.00 -1.00 0.00 0.00 179.01 178.62 2k0f h ALA 42 N 1.67 -0.72 -0.73 3.43 0.00 -1.98 0.10 119.26 121.03 2k0f h ALA 42 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 42 Cb 0.53 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2k0f h ALA 42 CO 0.04 -0.95 0.26 1.49 0.00 0.00 0.00 179.25 180.09 2k0f h GLU 43 N -0.69 1.11 -0.48 0.00 4.81 -1.67 -2.22 114.58 115.45 2k0f h GLU 43 Ca -0.00 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 43 Cb 0.65 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 43 CO -0.12 0.93 0.17 1.25 -0.73 0.00 0.00 179.01 180.52 2k0f h LEU 44 N 1.07 0.68 -1.71 1.64 5.85 0.21 -2.09 115.31 120.96 2k0f h LEU 44 Ca 0.24 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2k0f h LEU 44 Cb 0.26 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2k0f h LEU 44 CO -0.01 0.68 -0.16 -0.61 -0.34 0.00 0.00 178.44 178.00 2k0f h GLN 45 N 0.64 0.00 -0.39 1.25 5.75 -0.76 -3.25 115.11 118.35 2k0f h GLN 45 Ca 0.16 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2k0f h GLN 45 Cb 0.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2k0f h GLN 45 CO -0.01 0.16 -0.21 0.22 -2.65 0.00 0.00 178.83 176.34 2k0f h ASP 46 N 0.00 0.77 -0.01 -0.69 3.58 -0.73 -0.22 116.42 119.12 2k0f h ASP 46 Ca -0.00 -0.27 -0.17 0.00 0.42 0.00 0.00 57.03 57.01 2k0f h ASP 46 Cb 0.43 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2k0f h ASP 46 CO 0.02 0.97 -0.58 0.24 -2.88 0.00 0.00 179.24 177.01 2k0f h MET 47 N 0.67 0.61 -0.02 0.28 2.86 -1.58 -2.79 114.93 114.95 2k0f h MET 47 Ca 0.10 -0.40 -0.15 0.00 -2.06 0.00 0.00 59.70 57.18 2k0f h MET 47 Cb 0.71 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2k0f h MET 47 CO 0.05 1.02 -0.68 0.82 1.06 0.00 0.00 176.91 179.18 2k0f h ILE 48 N 0.46 1.45 0.00 -1.22 1.08 -1.55 -3.19 117.51 114.54 2k0f h ILE 48 Ca 0.00 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.22 2k0f h ILE 48 Cb 1.14 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 37.09 2k0f h ILE 48 CO 0.11 0.65 -0.14 0.59 -0.69 0.00 0.00 178.15 178.67 2k0f n ASN 49 N -3.77 0.59 -0.02 1.72 3.02 -0.11 -1.93 115.26 114.77 2k0f n ASN 49 Ca -0.02 0.43 -0.11 0.00 -0.03 0.00 0.00 54.58 54.84 2k0f n ASN 49 Cb 0.67 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 0.15 0.19 3.52 4.81 -1.48 -3.37 114.58 118.40 2k0f h GLU 50 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 50 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 50 CO 0.00 0.23 -0.09 0.28 -0.73 0.00 0.00 179.01 178.70 2k0f h VAL 51 N 0.03 0.91 -2.35 0.32 2.07 -1.49 -3.40 116.25 112.33 2k0f h VAL 51 Ca 0.04 -0.83 -0.55 0.00 0.82 0.00 0.00 66.70 66.17 2k0f h VAL 51 Cb 0.13 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2k0f h VAL 51 CO -0.00 0.18 1.35 -0.62 0.02 0.00 0.00 177.57 178.49 2k0f s ASP 52 N -5.32 5.58 0.17 0.57 2.15 -0.81 -4.84 116.67 114.16 2k0f s ASP 52 Ca -0.14 1.15 0.16 0.00 0.43 0.00 0.00 52.55 54.15 2k0f s ASP 52 Cb 0.02 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 52 CO 0.56 -1.98 1.13 0.00 -0.17 0.00 0.00 175.17 174.71 2k0f h ALA 53 N 14.17 0.65 -0.40 3.66 0.00 -1.84 -3.40 119.26 132.11 2k0f h ALA 53 Ca -0.32 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.01 2k0f h ALA 53 Cb 1.18 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 53 CO 1.07 0.74 -0.56 -0.44 0.00 0.00 0.00 179.25 180.07 2k0f h ASP 54 N 0.00 -1.85 0.00 0.00 3.32 -1.97 -3.48 116.42 112.44 2k0f h ASP 54 Ca -0.08 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2k0f h ASP 54 Cb 1.47 0.76 0.00 0.00 0.22 0.00 0.00 39.33 41.78 2k0f h ASP 54 CO 0.05 -0.41 0.00 0.61 -1.72 0.00 0.00 179.24 177.78 2k0f n GLY 55 N -1.38 1.14 0.06 2.75 0.00 -1.26 -5.01 105.19 101.49 2k0f n GLY 55 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k0f n ASN 56 N 0.00 1.22 -0.70 1.61 5.03 -1.26 -5.03 115.26 116.13 2k0f n ASN 56 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 2k0f n ASN 56 Cb 0.00 1.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.83 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k0f n GLY 57 N 1.95 0.33 2.95 7.41 0.00 -1.26 -5.05 105.19 111.52 2k0f n GLY 57 Ca -0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.48 0.74 -0.31 2.61 -4.23 -1.26 -4.75 115.64 105.96 2k0f s THR 58 Ca 0.04 -0.27 -0.23 0.00 -1.18 0.00 0.00 61.69 60.06 2k0f s THR 58 Cb -0.02 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 2k0f s THR 58 CO 0.05 0.26 0.75 -0.51 -0.54 0.00 0.00 174.62 174.63 2k0f s ILE 59 N 0.67 4.83 0.88 2.99 2.07 -1.09 -4.83 121.20 126.71 2k0f s ILE 59 Ca -0.11 1.11 -0.13 0.00 -1.41 0.00 0.00 60.65 60.11 2k0f s ILE 59 Cb -0.13 -4.11 0.14 0.00 0.13 0.00 0.00 42.46 38.49 2k0f s ILE 59 CO 0.01 -0.22 1.24 -1.81 -1.91 0.00 0.00 174.94 172.25 2k0f s ASP 60 N 1.62 3.78 0.05 4.50 1.11 -1.26 -1.34 116.67 125.12 2k0f s ASP 60 Ca 0.31 0.45 -0.24 0.00 0.18 0.00 0.00 52.55 53.25 2k0f s ASP 60 Cb -0.14 -0.71 -0.17 0.00 1.07 0.00 0.00 42.92 42.97 2k0f s ASP 60 CO 0.12 -2.33 1.55 0.15 1.18 0.00 0.00 175.17 175.85 2k0f h PHE 61 N -1.33 -0.04 0.00 4.23 3.57 -1.97 0.25 116.94 121.65 2k0f h PHE 61 Ca -0.45 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 61 Cb 1.28 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2k0f h PHE 61 CO -0.48 0.15 0.00 -0.35 -2.23 0.00 0.00 178.31 175.40 2k0f n PRO 62 N -5.02 0.07 0.13 6.41 -0.04 -1.26 -1.02 135.00 134.26 2k0f n PRO 62 Ca -0.08 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 2k0f n PRO 62 Cb 0.12 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.93 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.48 -0.38 0.54 5.08 -1.82 -1.76 114.58 116.72 2k0f h GLU 63 Ca 0.00 -0.83 0.05 0.00 -1.00 0.00 0.00 59.36 57.59 2k0f h GLU 63 Cb 0.27 0.31 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 63 CO 0.00 1.39 -0.52 0.35 -1.00 0.00 0.00 179.01 179.23 2k0f h PHE 64 N 0.13 -1.56 0.00 4.33 3.04 -0.22 0.05 116.94 122.71 2k0f h PHE 64 Ca -0.26 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 2k0f h PHE 64 Cb 2.14 0.73 -0.00 0.00 2.56 0.00 0.00 35.95 41.38 2k0f h PHE 64 CO 0.12 -0.48 -0.05 -0.07 -2.02 0.00 0.00 178.31 175.80 2k0f h LEU 65 N -0.40 0.00 0.08 0.59 3.38 -1.14 -1.34 115.31 116.48 2k0f h LEU 65 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 2k0f h LEU 65 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2k0f h LEU 65 CO -0.58 0.05 -0.89 0.74 0.09 0.00 0.00 178.44 177.85 2k0f h THR 66 N 0.00 1.33 -0.66 0.22 2.02 -0.77 -1.90 112.91 113.15 2k0f h THR 66 Ca -0.00 -2.40 0.14 0.00 0.77 0.00 0.00 66.41 64.93 2k0f h THR 66 Cb 0.18 2.94 -0.11 0.00 -1.74 0.00 0.00 68.15 69.42 2k0f h THR 66 CO 0.01 0.63 0.00 -0.03 0.37 0.00 0.00 175.52 176.50 2k0f h MET 67 N -0.59 0.11 0.00 6.66 1.85 -0.80 -0.53 114.93 121.64 2k0f h MET 67 Ca -0.19 -0.01 -0.14 0.00 -0.61 0.00 0.00 59.70 58.75 2k0f h MET 67 Cb 1.48 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.47 2k0f h MET 67 CO 0.03 0.07 -0.66 0.52 -0.40 0.00 0.00 176.91 176.47 2k0f h MET 68 N 0.12 0.00 0.00 0.39 2.86 -1.30 -3.06 114.93 113.94 2k0f h MET 68 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2k0f h MET 68 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 68 CO -0.57 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.06 2k0f h ALA 69 N 1.34 1.00 -2.25 6.32 0.00 -0.51 -3.45 119.26 121.71 2k0f h ALA 69 Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 69 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 69 CO 0.09 0.00 0.67 0.50 0.00 0.00 0.00 179.25 180.50 2k0f s ARG 70 N -3.19 4.36 0.46 0.00 3.52 -0.29 -4.99 118.95 118.83 2k0f s ARG 70 Ca 0.08 1.52 -0.18 0.00 -0.13 0.00 0.00 55.73 57.02 2k0f s ARG 70 Cb 0.08 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 2k0f s ARG 70 CO 0.63 -0.43 0.94 0.15 -0.81 0.00 0.00 175.30 175.78 2k0f s LYS 71 N 2.32 4.05 0.27 5.12 1.02 -1.26 -4.97 119.74 126.29 2k0f s LYS 71 Ca 0.51 0.97 0.08 0.00 0.02 0.00 0.00 55.97 57.55 2k0f s LYS 71 Cb -0.21 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2k0f s LYS 71 CO 0.18 -0.14 0.12 -1.64 -0.92 0.00 0.00 175.35 172.95 2k0f s MET 72 N -3.65 2.61 0.94 1.68 -1.94 -1.26 -5.12 119.30 112.55 2k0f s MET 72 Ca 0.59 -1.26 -0.12 0.00 -1.71 0.00 0.00 55.69 53.19 2k0f s MET 72 Cb -0.10 -2.36 0.15 0.00 2.01 0.00 0.00 34.83 34.54 2k0f s MET 72 CO 0.24 0.34 1.11 -1.59 -0.01 0.00 0.00 175.02 175.11 2k0f s LYS 73 N -3.78 0.91 0.33 2.03 -2.85 -1.26 -4.68 119.74 110.43 2k0f s LYS 73 Ca 0.33 0.43 0.08 0.00 -1.00 0.00 0.00 55.97 55.81 2k0f s LYS 73 Cb -0.07 -1.80 0.58 0.00 -2.06 0.00 0.00 37.83 34.48 2k0f s LYS 73 CO 0.23 -2.38 1.78 -0.44 0.10 0.00 0.00 175.35 174.64 2k0f h ASP 74 N -1.64 0.24 -0.15 0.03 3.32 -2.00 0.91 116.42 117.14 2k0f h ASP 74 Ca -0.52 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.44 2k0f h ASP 74 Cb 1.32 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2k0f h ASP 74 CO 0.60 0.54 0.06 0.71 -1.72 0.00 0.00 179.24 179.43 2k0f h THR 75 N 0.21 1.16 -0.49 0.35 1.35 -1.99 -2.55 112.91 110.94 2k0f h THR 75 Ca 0.03 -0.47 0.02 0.00 -0.55 0.00 0.00 66.41 65.44 2k0f h THR 75 Cb 0.65 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 2k0f h THR 75 CO 0.05 0.14 0.31 0.44 -0.25 0.00 0.00 175.52 176.21 2k0f h ASP 76 N 0.08 0.51 0.13 5.36 3.32 -1.75 0.26 116.42 124.33 2k0f h ASP 76 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k0f h ASP 76 Cb 0.17 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2k0f h ASP 76 CO -0.00 0.37 0.00 -1.20 -1.72 0.00 0.00 179.24 176.68 2k0f n SER 77 N -4.78 0.00 -0.10 6.45 7.64 0.25 -0.39 113.62 122.69 2k0f n SER 77 Ca 0.03 -0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 2k0f n SER 77 Cb 0.05 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0f n GLU 78 N -1.15 0.73 -0.17 1.43 2.13 -0.78 -4.26 120.64 118.57 2k0f n GLU 78 Ca 0.08 0.09 0.07 0.00 0.66 0.00 0.00 57.16 58.06 2k0f n GLU 78 Cb 0.08 -1.41 0.36 0.00 0.27 0.00 0.00 31.44 30.74 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N 0.00 0.70 -0.73 5.31 4.57 -0.28 -1.33 114.58 122.83 2k0f h GLU 79 Ca -0.45 -0.04 0.15 0.00 -1.18 0.00 0.00 59.36 57.83 2k0f h GLU 79 Cb 1.78 -0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 30.11 2k0f h GLU 79 CO -0.05 0.47 0.23 1.49 -1.18 0.00 0.00 179.01 179.97 2k0f h GLU 80 N 0.73 0.34 -0.20 1.92 4.81 -0.92 0.26 114.58 121.52 2k0f h GLU 80 Ca 0.31 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 80 Cb 0.29 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 80 CO -0.10 0.22 -0.62 0.82 -0.73 0.00 0.00 179.01 178.60 2k0f h ILE 81 N 0.35 1.31 -0.73 2.32 1.08 -1.62 -0.86 117.51 119.35 2k0f h ILE 81 Ca 0.41 -1.86 -0.06 0.00 -0.39 0.00 0.00 64.86 62.95 2k0f h ILE 81 Cb 0.65 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 2k0f h ILE 81 CO -0.45 0.59 0.21 0.03 -0.69 0.00 0.00 178.15 177.84 2k0f h ARG 82 N 0.50 1.15 -0.56 2.37 3.08 -0.75 0.32 114.38 120.49 2k0f h ARG 82 Ca -0.01 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 2k0f h ARG 82 Cb 1.21 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2k0f h ARG 82 CO 0.12 0.99 0.21 0.93 -1.07 0.00 0.00 179.97 181.15 2k0f h GLU 83 N 1.10 0.85 -0.24 0.04 4.39 -0.48 -2.66 114.58 117.58 2k0f h GLU 83 Ca 0.23 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 0.33 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2k0f h GLU 83 CO -0.00 0.75 -0.16 0.00 -1.16 0.00 0.00 179.01 178.44 2k0f h ALA 84 N 1.06 1.29 -0.30 3.43 0.00 -0.64 -2.96 119.26 121.14 2k0f h ALA 84 Ca 0.18 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2k0f h ALA 84 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k0f h ALA 84 CO -0.01 0.47 -0.10 0.35 0.00 0.00 0.00 179.25 179.96 2k0f h PHE 85 N 0.38 0.68 0.00 0.00 3.57 -0.30 -3.21 116.94 118.06 2k0f h PHE 85 Ca 0.07 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 85 Cb 0.50 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2k0f h PHE 85 CO 0.01 0.80 0.00 0.07 -2.23 0.00 0.00 178.31 176.97 2k0f h ARG 86 N 0.36 0.00 -0.08 1.11 0.11 -1.31 -2.31 114.38 112.26 2k0f h ARG 86 Ca 0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 2k0f h ARG 86 Cb 0.60 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 2k0f h ARG 86 CO 0.03 0.00 0.04 0.28 0.10 0.00 0.00 179.97 180.42 2k0f h VAL 87 N 0.00 1.12 0.10 0.08 2.07 -1.53 -3.15 116.25 114.94 2k0f h VAL 87 Ca 0.00 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2k0f h VAL 87 Cb 0.40 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k0f h VAL 87 CO 0.00 0.11 -0.05 -0.26 0.02 0.00 0.00 177.57 177.39 2k0f h PHE 88 N 0.00 -0.13 -0.45 1.57 0.04 -1.58 -3.40 116.94 112.98 2k0f h PHE 88 Ca 0.03 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.24 2k0f h PHE 88 Cb 0.13 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 2k0f h PHE 88 CO -0.03 0.21 1.95 -3.47 -0.60 0.00 0.00 178.31 176.38 2k0f n ASP 89 N -4.99 3.71 -0.11 2.17 2.03 -0.91 -4.73 116.55 113.72 2k0f n ASP 89 Ca -0.09 -2.79 -0.06 0.00 0.52 0.00 0.00 54.79 52.38 2k0f n ASP 89 Cb 0.21 -1.63 0.01 0.00 -0.72 0.00 0.00 41.12 38.99 2k0f n ASP 89 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2k0f h LYS 90 N 8.16 -0.12 -0.11 -0.67 3.64 -1.79 -3.25 116.57 122.43 2k0f h LYS 90 Ca 0.38 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2k0f h LYS 90 Cb 0.83 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2k0f h LYS 90 CO 1.52 -0.08 -0.00 0.38 -2.27 0.00 0.00 179.45 179.00 2k0f h ASP 91 N -0.13 0.19 0.00 4.20 3.04 -1.94 -3.49 116.42 118.29 2k0f h ASP 91 Ca 0.19 -0.32 0.00 0.00 -3.24 0.00 0.00 57.03 53.67 2k0f h ASP 91 Cb 0.43 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 2k0f h ASP 91 CO -0.47 0.46 0.00 0.61 -2.04 0.00 0.00 179.24 177.80 2k0f n GLY 92 N -0.26 1.99 0.08 7.15 0.00 -1.23 -5.02 105.19 107.91 2k0f n GLY 92 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 7.08 -1.95 -3.48 115.58 118.85 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.87 0.00 0.61 -2.08 0.00 0.00 177.43 176.83 2k0f n GLY 94 N 1.36 1.71 3.08 9.14 0.00 -1.26 -5.13 105.19 114.10 2k0f n GLY 94 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.72 -0.33 -0.36 1.61 2.02 -1.26 -4.24 117.35 113.07 2k0f s TYR 95 Ca 0.00 0.78 -0.12 0.00 -0.37 0.00 0.00 57.07 57.35 2k0f s TYR 95 Cb 0.00 0.07 0.00 0.00 -0.40 0.00 0.00 41.96 41.63 2k0f s TYR 95 CO 0.00 -0.21 0.23 0.42 -1.57 0.00 0.00 175.55 174.42 2k0f s ILE 96 N 1.01 5.01 0.44 2.71 1.01 0.45 -4.81 121.20 127.02 2k0f s ILE 96 Ca -0.07 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.15 2k0f s ILE 96 Cb -0.08 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.73 2k0f s ILE 96 CO -0.07 -0.13 0.59 -0.94 0.00 0.00 0.00 174.94 174.40 2k0f s SER 97 N 1.66 5.56 0.32 3.58 1.04 -1.26 -2.63 113.70 121.96 2k0f s SER 97 Ca 0.05 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.05 2k0f s SER 97 Cb -0.18 -0.52 0.76 0.00 0.10 0.00 0.00 66.02 66.18 2k0f s SER 97 CO 0.09 -0.84 1.79 0.00 0.98 0.00 0.00 173.24 175.27 2k0f h ALA 98 N 0.59 1.73 -0.09 5.32 0.00 -1.98 -0.16 119.26 124.67 2k0f h ALA 98 Ca -0.39 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 98 Cb 1.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 98 CO 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 2k0f h ALA 99 N 1.63 0.12 0.00 0.00 0.00 -1.98 -0.13 119.26 118.91 2k0f h ALA 99 Ca 0.56 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2k0f h ALA 99 Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k0f h ALA 99 CO -0.34 -0.13 -0.47 0.93 0.00 0.00 0.00 179.25 179.24 2k0f h GLU 100 N -0.17 0.00 -0.02 0.00 5.08 -1.73 -0.96 114.58 116.78 2k0f h GLU 100 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 100 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 100 CO 0.01 0.47 0.01 1.25 -1.00 0.00 0.00 179.01 179.75 2k0f h LEU 101 N 0.00 0.02 -1.55 1.33 5.85 -1.04 -1.61 115.31 118.31 2k0f h LEU 101 Ca -0.00 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 101 Cb 0.90 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 2k0f h LEU 101 CO 0.06 0.12 0.37 0.03 -0.34 0.00 0.00 178.44 178.68 2k0f h ARG 102 N -0.08 0.55 0.23 1.25 3.08 -0.23 -0.70 114.38 118.48 2k0f h ARG 102 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2k0f h ARG 102 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2k0f h ARG 102 CO -0.00 0.36 -0.11 1.25 -1.07 0.00 0.00 179.97 180.40 2k0f h HIS 103 N 0.57 -0.29 -0.22 3.04 2.76 -1.13 -0.60 115.15 119.27 2k0f h HIS 103 Ca 0.24 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2k0f h HIS 103 Cb 0.22 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2k0f h HIS 103 CO -0.00 0.02 0.06 0.28 -1.30 0.00 0.00 177.93 176.99 2k0f h VAL 104 N -0.62 1.20 -0.47 5.26 2.07 -1.13 -1.60 116.25 120.96 2k0f h VAL 104 Ca -0.03 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2k0f h VAL 104 Cb 0.44 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 2k0f h VAL 104 CO 0.05 0.20 -0.19 0.24 0.02 0.00 0.00 177.57 177.89 2k0f h MET 105 N 0.17 -0.08 0.23 1.57 2.07 -1.19 0.25 114.93 117.95 2k0f h MET 105 Ca 0.07 0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 2k0f h MET 105 Cb 0.25 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 2k0f h MET 105 CO -0.00 -0.06 -0.30 1.15 1.07 0.00 0.00 176.91 178.78 2k0f h THR 106 N -0.09 0.00 -1.13 2.22 2.02 -0.98 -1.69 112.91 113.27 2k0f h THR 106 Ca 0.23 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.79 2k0f h THR 106 Cb 0.44 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.70 2k0f h THR 106 CO -0.53 0.00 0.68 0.78 0.37 0.00 0.00 175.52 176.82 2k0f h ASN 107 N -0.54 0.36 1.48 4.18 2.35 -1.23 -2.67 115.58 119.52 2k0f h ASN 107 Ca -0.03 0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2k0f h ASN 107 Cb 0.49 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2k0f h ASN 107 CO -0.07 -0.20 -0.48 -0.07 -1.65 0.00 0.00 177.43 174.95 2k0f h LEU 108 N 0.17 0.00 0.00 1.61 3.38 -0.25 -3.46 115.31 116.77 2k0f h LEU 108 Ca 0.78 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.75 2k0f h LEU 108 Cb 2.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.89 2k0f h LEU 108 CO -0.55 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.08 2k0f n GLY 109 N 1.18 2.00 3.93 0.83 0.00 -1.01 -4.94 105.19 107.18 2k0f n GLY 109 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N -0.42 3.50 -0.55 1.61 0.41 -0.66 -5.04 118.70 117.55 2k0f s GLU 110 Ca 0.00 -0.40 0.04 0.00 -0.41 0.00 0.00 54.97 54.20 2k0f s GLU 110 Cb 0.00 -2.90 0.16 0.00 -1.78 0.00 0.00 34.13 29.61 2k0f s GLU 110 CO 0.00 0.47 0.37 0.15 -0.49 0.00 0.00 175.26 175.75 2k0f s LYS 111 N -3.14 1.77 0.37 1.61 1.02 -1.26 -4.14 119.74 115.97 2k0f s LYS 111 Ca 0.37 -2.65 -0.12 0.00 0.02 0.00 0.00 55.97 53.59 2k0f s LYS 111 Cb -0.11 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.42 2k0f s LYS 111 CO 0.28 -1.25 0.75 -0.51 -0.92 0.00 0.00 175.35 173.70 2k0f s LEU 112 N -0.52 3.93 0.60 3.17 1.43 -1.26 -5.08 118.68 120.95 2k0f s LEU 112 Ca 0.24 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 2k0f s LEU 112 Cb -0.11 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.09 2k0f s LEU 112 CO -0.11 -0.32 0.90 0.42 0.23 0.00 0.00 176.35 177.48 2k0f s THR 113 N -2.21 3.47 0.29 5.49 -4.23 -1.26 -4.99 115.64 112.21 2k0f s THR 113 Ca 0.52 -0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.96 2k0f s THR 113 Cb -0.10 -3.39 0.18 0.00 1.34 0.00 0.00 72.50 70.53 2k0f s THR 113 CO 0.26 -0.39 1.87 0.44 -0.54 0.00 0.00 174.62 176.25 2k0f h ASP 114 N -0.20 0.78 -0.60 3.99 3.32 -1.99 -2.33 116.42 119.40 2k0f h ASP 114 Ca -0.45 -0.11 0.09 0.00 0.02 0.00 0.00 57.03 56.58 2k0f h ASP 114 Cb 1.26 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 2k0f h ASP 114 CO 0.60 0.71 0.22 -0.33 -1.72 0.00 0.00 179.24 178.72 2k0f h GLU 115 N 0.84 0.38 -0.03 3.56 4.39 -1.98 0.24 114.58 121.97 2k0f h GLU 115 Ca 0.20 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.73 2k0f h GLU 115 Cb 0.19 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2k0f h GLU 115 CO -0.02 0.25 -0.62 0.93 -1.16 0.00 0.00 179.01 178.39 2k0f h GLU 116 N 0.40 0.11 -0.03 2.33 5.08 -1.84 -1.67 114.58 118.96 2k0f h GLU 116 Ca 0.30 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 116 Cb 0.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 116 CO -0.31 0.70 -0.11 0.28 -1.00 0.00 0.00 179.01 178.57 2k0f h VAL 117 N 0.08 1.47 -0.79 3.13 2.07 -0.74 -1.66 116.25 119.81 2k0f h VAL 117 Ca -0.01 -1.55 0.19 0.00 0.82 0.00 0.00 66.70 66.15 2k0f h VAL 117 Cb 1.12 2.41 -0.13 0.00 -1.52 0.00 0.00 31.29 33.17 2k0f h VAL 117 CO 0.09 0.42 0.15 -0.78 0.02 0.00 0.00 177.57 177.47 2k0f h ASP 118 N -0.44 -0.09 1.38 0.57 3.58 -0.55 -2.65 116.42 118.21 2k0f h ASP 118 Ca -0.00 0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k0f h ASP 118 Cb 0.74 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2k0f h ASP 118 CO 0.02 -0.12 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.18 2k0f h GLU 119 N 0.20 0.00 -0.00 0.28 4.81 -1.12 0.02 114.58 118.76 2k0f h GLU 119 Ca 0.46 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2k0f h GLU 119 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 119 CO -0.60 0.01 -0.01 0.52 -0.73 0.00 0.00 179.01 178.20 2k0f h MET 120 N 0.00 0.01 -0.15 1.92 2.86 -1.09 -3.11 114.93 115.38 2k0f h MET 120 Ca -0.00 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 120 Cb 0.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2k0f h MET 120 CO 0.00 0.63 -0.27 0.82 1.06 0.00 0.00 176.91 179.15 2k0f h ILE 121 N -0.60 1.25 -0.10 -1.22 1.08 -1.25 0.11 117.51 116.78 2k0f h ILE 121 Ca -0.00 -1.17 0.04 0.00 -0.39 0.00 0.00 64.86 63.34 2k0f h ILE 121 Cb 0.63 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.77 2k0f h ILE 121 CO 0.00 0.36 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.53 2k0f h ARG 122 N 0.24 -0.25 -0.24 2.37 2.43 -1.16 -2.93 114.38 114.84 2k0f h ARG 122 Ca 0.04 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 2k0f h ARG 122 Cb 0.60 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2k0f h ARG 122 CO 0.04 -0.17 -0.37 1.49 -1.51 0.00 0.00 179.97 179.45 2k0f h GLU 123 N -0.26 0.67 -0.22 0.20 4.81 -1.36 -3.35 114.58 115.06 2k0f h GLU 123 Ca 0.09 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 58.76 2k0f h GLU 123 Cb 0.39 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k0f h GLU 123 CO -0.25 1.02 -0.51 0.00 -0.73 0.00 0.00 179.01 178.53 2k0f h ALA 124 N 0.64 0.70 -2.35 2.92 0.00 -0.81 -3.46 119.26 116.90 2k0f h ALA 124 Ca 0.02 -0.50 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 124 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k0f h ALA 124 CO 0.08 0.68 0.05 0.34 0.00 0.00 0.00 179.25 180.41 2k0f s ASP 125 N -6.91 6.63 -0.17 0.00 -1.08 -1.11 -4.84 116.67 109.19 2k0f s ASP 125 Ca -0.08 1.12 -0.05 0.00 -0.52 0.00 0.00 52.55 53.03 2k0f s ASP 125 Cb 0.11 -2.31 -0.09 0.00 -1.46 0.00 0.00 42.92 39.17 2k0f s ASP 125 CO 0.84 -0.26 -0.19 -0.38 0.52 0.00 0.00 175.17 175.70 2k0f n ILE 126 N -0.74 0.95 0.14 4.11 5.41 -1.26 -4.40 119.36 123.57 2k0f n ILE 126 Ca 0.02 -0.29 0.02 0.00 1.00 0.00 0.00 62.75 63.50 2k0f n ILE 126 Cb 0.53 -1.47 0.35 0.00 -0.71 0.00 0.00 39.64 38.35 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k0f h ASP 127 N -0.37 0.16 0.00 4.38 3.32 -1.95 -3.47 116.42 118.49 2k0f h ASP 127 Ca -0.41 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2k0f h ASP 127 Cb 1.46 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2k0f h ASP 127 CO -0.18 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 2k0f n GLY 128 N -0.63 0.47 0.02 2.75 0.00 -1.26 -4.98 105.19 101.56 2k0f n GLY 128 Ca -0.01 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.17 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 1.83 0.41 0.00 1.61 5.75 -1.26 -4.98 116.55 119.91 2k0f n ASP 129 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 129 Cb 0.20 1.83 0.00 0.00 -1.03 0.00 0.00 41.12 42.12 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.41 0.79 3.24 6.12 0.00 -1.26 -5.01 105.19 110.48 2k0f n GLY 130 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.96 2.95 -0.24 1.61 -1.52 -1.26 -4.55 119.66 115.68 2k0f s GLN 131 Ca 0.00 -2.15 -0.29 0.00 -1.95 0.00 0.00 55.36 50.97 2k0f s GLN 131 Cb 0.00 -4.11 -0.03 0.00 -0.22 0.00 0.00 33.01 28.65 2k0f s GLN 131 CO 0.00 -1.24 1.69 0.08 -0.25 0.00 0.00 175.29 175.56 2k0f s VAL 132 N 0.70 3.60 0.57 1.09 1.01 -1.08 -4.82 120.40 121.48 2k0f s VAL 132 Ca 0.12 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 2k0f s VAL 132 Cb -0.20 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 32.64 2k0f s VAL 132 CO -0.03 -0.31 0.79 -0.46 0.00 0.00 0.00 175.10 175.08 2k0f n ASN 133 N 8.98 0.91 -0.38 3.32 0.23 -1.26 -0.41 115.26 126.64 2k0f n ASN 133 Ca 0.20 -1.80 -0.02 0.00 -0.53 0.00 0.00 54.58 52.43 2k0f n ASN 133 Cb 0.45 -0.52 0.11 0.00 -2.08 0.00 0.00 39.78 37.74 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.67 1.27 -0.20 -2.53 3.20 -1.96 -2.07 116.97 114.01 2k0f h TYR 134 Ca -0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.63 2k0f h TYR 134 Cb 0.92 -0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2k0f h TYR 134 CO 0.00 0.80 0.07 0.93 -1.64 0.00 0.00 178.16 178.31 2k0f h GLU 135 N 1.37 0.30 -0.57 1.82 5.08 -1.96 -1.94 114.58 118.68 2k0f h GLU 135 Ca 0.37 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.74 2k0f h GLU 135 Cb -0.15 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 28.99 2k0f h GLU 135 CO -0.08 0.39 0.25 0.93 -1.00 0.00 0.00 179.01 179.50 2k0f h GLU 136 N 0.15 0.45 -0.73 2.33 5.08 -1.90 -0.31 114.58 119.63 2k0f h GLU 136 Ca 0.06 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 2k0f h GLU 136 Cb 0.21 -0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 136 CO -0.00 0.30 0.04 0.35 -1.00 0.00 0.00 179.01 178.69 2k0f h PHE 137 N 0.46 0.01 0.17 4.33 3.57 -1.07 -3.12 116.94 121.30 2k0f h PHE 137 Ca 0.27 0.05 -0.34 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 137 Cb 0.27 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.13 2k0f h PHE 137 CO -0.14 -0.21 -1.66 0.28 -2.23 0.00 0.00 178.31 174.35 2k0f h VAL 138 N 0.13 1.03 -0.02 1.41 2.07 -0.58 -3.37 116.25 116.91 2k0f h VAL 138 Ca 0.40 -2.62 0.01 0.00 0.82 0.00 0.00 66.70 65.31 2k0f h VAL 138 Cb 0.71 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2k0f h VAL 138 CO -0.62 0.84 0.01 -0.61 0.02 0.00 0.00 177.57 177.21 2k0f h GLN 139 N 0.10 0.00 0.00 1.57 5.75 -1.02 0.52 115.11 122.03 2k0f h GLN 139 Ca -0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2k0f h GLN 139 Cb 2.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.63 2k0f h GLN 139 CO 0.18 0.00 -0.24 0.00 -2.65 0.00 0.00 178.83 176.12 2k0f n MET 140 N -4.44 0.24 -0.11 1.69 0.00 -1.21 -4.15 117.12 109.14 2k0f n MET 140 Ca -0.03 0.15 -0.25 0.00 0.00 0.00 0.00 57.70 57.57 2k0f n MET 140 Cb 0.11 -1.73 -0.11 0.00 0.00 0.00 0.00 33.22 31.49 2k0f n MET 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2k0f n MET 141 N -2.12 0.61 0.00 3.17 2.81 -0.02 -5.15 117.12 116.42 2k0f n MET 141 Ca 0.05 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 2k0f n MET 141 Cb 0.42 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73