#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 -0.56 -0.78 4.39 -2.06 -3.25 114.58 112.32 2k0f h GLU 2 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 2 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 2 CO 0.00 0.38 0.29 0.93 -1.16 0.00 0.00 179.01 179.45 2k0f h GLU 3 N 0.00 0.54 0.00 2.33 3.07 -2.06 -3.02 114.58 115.43 2k0f h GLU 3 Ca -0.08 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.52 2k0f h GLU 3 Cb 1.46 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 29.21 2k0f h GLU 3 CO 0.05 0.35 -1.19 1.96 -1.40 0.00 0.00 179.01 178.79 2k0f h GLN 4 N 0.55 0.00 -0.69 2.33 4.20 -2.00 -3.10 115.11 116.40 2k0f h GLN 4 Ca 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2k0f h GLN 4 Cb 0.16 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2k0f h GLN 4 CO -0.17 0.85 0.42 0.82 -0.67 0.00 0.00 178.83 180.07 2k0f h ILE 5 N 0.00 1.20 -0.63 2.54 2.04 -1.58 -2.29 117.51 118.79 2k0f h ILE 5 Ca -0.09 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.42 2k0f h ILE 5 Cb 1.83 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 2k0f h ILE 5 CO 0.11 0.21 0.29 0.00 0.00 0.00 0.00 178.15 178.76 2k0f h ALA 6 N 1.22 0.83 0.00 1.87 0.00 -1.58 -1.94 119.26 119.66 2k0f h ALA 6 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 6 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k0f h ALA 6 CO -0.05 -0.11 -0.71 1.05 0.00 0.00 0.00 179.25 179.44 2k0f h GLU 7 N 0.51 0.00 -0.97 0.00 4.11 -1.46 0.95 114.58 117.72 2k0f h GLU 7 Ca 0.31 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.76 2k0f h GLU 7 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 7 CO -0.26 0.71 0.64 0.74 0.07 0.00 0.00 179.01 180.91 2k0f h PHE 8 N 0.00 1.20 0.00 2.06 0.04 -1.41 -2.21 116.94 116.62 2k0f h PHE 8 Ca -0.01 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.62 2k0f h PHE 8 Cb 1.52 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 2k0f h PHE 8 CO 0.00 0.71 -0.83 -0.22 -0.60 0.00 0.00 178.31 177.37 2k0f h LYS 9 N 1.26 0.03 0.00 1.51 3.64 -0.89 -0.22 116.57 121.89 2k0f h LYS 9 Ca 0.37 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 2k0f h LYS 9 Cb -0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2k0f h LYS 9 CO -0.10 0.84 -0.32 1.49 -2.27 0.00 0.00 179.45 179.09 2k0f h GLU 10 N 0.02 0.00 0.14 1.90 4.81 -0.67 -2.98 114.58 117.79 2k0f h GLU 10 Ca -0.02 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 10 Cb 1.46 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.86 2k0f h GLU 10 CO 0.11 0.32 -0.84 0.00 -0.73 0.00 0.00 179.01 177.88 2k0f h ALA 11 N 1.68 -0.08 -1.23 2.92 0.00 -1.29 -3.33 119.26 117.92 2k0f h ALA 11 Ca -0.00 -0.70 0.39 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 11 Cb 0.66 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 2k0f h ALA 11 CO 0.04 0.39 0.78 0.35 0.00 0.00 0.00 179.25 180.82 2k0f h PHE 12 N -0.32 0.59 0.00 0.00 3.57 -0.96 -2.07 116.94 117.75 2k0f h PHE 12 Ca -0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 2k0f h PHE 12 Cb 1.65 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 2k0f h PHE 12 CO 0.19 -0.16 -0.34 0.66 -2.23 0.00 0.00 178.31 176.44 2k0f h SER 13 N 0.16 0.00 0.48 0.41 4.64 -1.64 -1.02 113.55 116.58 2k0f h SER 13 Ca 0.77 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 62.01 2k0f h SER 13 Cb 2.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.35 2k0f h SER 13 CO -0.42 0.34 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.46 2k0f h LEU 14 N 0.00 0.00 0.00 5.97 3.38 -1.58 -3.16 115.31 119.92 2k0f h LEU 14 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k0f h LEU 14 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2k0f h LEU 14 CO 0.04 0.35 -0.22 -0.26 0.09 0.00 0.00 178.44 178.44 2k0f h PHE 15 N 0.00 0.00 -2.58 1.13 0.04 -1.36 -3.44 116.94 110.73 2k0f h PHE 15 Ca -0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 2k0f h PHE 15 Cb 0.69 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 2k0f h PHE 15 CO 0.00 0.90 1.09 0.34 -0.60 0.00 0.00 178.31 180.04 2k0f s ASP 16 N -6.21 6.11 0.02 2.17 2.15 -0.54 -4.65 116.67 115.73 2k0f s ASP 16 Ca -0.18 -0.09 -0.20 0.00 0.43 0.00 0.00 52.55 52.51 2k0f s ASP 16 Cb -0.01 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 16 CO 0.56 -1.80 1.24 0.50 -0.17 0.00 0.00 175.17 175.50 2k0f h LYS 17 N 10.73 0.39 0.00 4.34 3.64 -1.86 -3.40 116.57 130.41 2k0f h LYS 17 Ca -0.27 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2k0f h LYS 17 Cb 1.07 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2k0f h LYS 17 CO 1.23 0.89 0.00 -0.40 -2.27 0.00 0.00 179.45 178.90 2k0f n ASP 18 N -4.43 0.00 0.00 4.20 5.68 -1.26 -5.05 116.55 115.69 2k0f n ASP 18 Ca -0.07 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 2k0f n ASP 18 Cb 0.48 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 2.18 -0.43 0.17 6.12 0.00 -1.26 -5.04 105.19 106.92 2k0f n GLY 19 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.61 3.04 -1.96 -3.47 116.42 115.64 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 0.45 0.00 0.61 -2.04 0.00 0.00 179.24 178.26 2k0f n GLY 21 N 0.59 1.04 3.30 7.15 0.00 -1.26 -5.08 105.19 110.93 2k0f n GLY 21 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 1.91 -0.27 2.61 -4.23 -1.26 -4.28 115.64 108.13 2k0f s THR 22 Ca 0.00 -1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2k0f s THR 22 Cb 0.00 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.14 2k0f s THR 22 CO 0.00 0.29 0.18 -0.63 -0.54 0.00 0.00 174.62 173.92 2k0f s ILE 23 N -0.80 5.33 0.58 2.99 1.01 -0.24 -4.84 121.20 125.23 2k0f s ILE 23 Ca 0.10 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 2k0f s ILE 23 Cb -0.09 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.87 2k0f s ILE 23 CO 0.02 0.28 0.87 0.42 0.00 0.00 0.00 174.94 176.53 2k0f s THR 24 N 1.52 3.42 0.10 2.92 -4.23 -1.26 -0.71 115.64 117.40 2k0f s THR 24 Ca 0.07 -0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.12 2k0f s THR 24 Cb -0.15 -3.35 -0.11 0.00 1.34 0.00 0.00 72.50 70.22 2k0f s THR 24 CO 0.09 -0.34 1.62 0.74 -0.54 0.00 0.00 174.62 176.19 2k0f h THR 25 N -0.13 0.32 -0.74 3.99 2.02 -1.94 0.10 112.91 116.53 2k0f h THR 25 Ca -0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.76 2k0f h THR 25 Cb 1.27 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 2k0f h THR 25 CO 0.59 0.00 0.47 0.50 0.37 0.00 0.00 175.52 177.45 2k0f h LYS 26 N -0.64 0.88 -1.00 6.66 3.64 -1.96 -0.31 116.57 123.85 2k0f h LYS 26 Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2k0f h LYS 26 Cb 0.60 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2k0f h LYS 26 CO -0.10 0.59 0.66 0.93 -2.27 0.00 0.00 179.45 179.25 2k0f h GLU 27 N 0.91 1.30 0.72 1.90 5.08 -1.85 0.14 114.58 122.78 2k0f h GLU 27 Ca 0.30 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 27 Cb 0.01 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 28.98 2k0f h GLU 27 CO -0.11 0.86 -0.35 1.25 -1.00 0.00 0.00 179.01 179.66 2k0f h LEU 28 N 1.34 -0.82 -1.23 1.33 5.85 -0.55 -3.05 115.31 118.18 2k0f h LEU 28 Ca 0.37 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 28 Cb -0.13 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2k0f h LEU 28 CO -0.09 -0.55 -0.22 1.23 -0.34 0.00 0.00 178.44 178.47 2k0f h GLY 29 N -1.03 0.28 -0.94 3.75 0.00 -0.95 -3.15 103.07 101.04 2k0f h GLY 29 Ca -0.10 -0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.12 2k0f h GLY 29 CO 0.16 0.19 -0.52 2.41 0.00 0.00 0.00 176.54 178.78 2k0f n THR 30 N -4.19 -0.61 -0.22 4.70 -1.04 0.47 0.22 114.28 113.60 2k0f n THR 30 Ca -0.01 2.25 0.04 0.00 -2.04 0.00 0.00 64.05 64.30 2k0f n THR 30 Cb 0.34 -2.81 0.30 0.00 -1.82 0.00 0.00 70.33 66.33 2k0f n THR 30 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k0f h VAL 31 N 0.00 1.07 -0.05 12.58 2.07 -1.62 -1.29 116.25 129.00 2k0f h VAL 31 Ca 0.18 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2k0f h VAL 31 Cb 0.41 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2k0f h VAL 31 CO -0.89 0.16 0.03 0.24 0.02 0.00 0.00 177.57 177.14 2k0f h MET 32 N 0.89 0.07 0.00 1.57 2.86 -1.44 -2.82 114.93 116.06 2k0f h MET 32 Ca 0.32 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 32 Cb 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2k0f h MET 32 CO -0.10 0.10 -0.29 0.00 1.06 0.00 0.00 176.91 177.67 2k0f h ARG 33 N 0.03 0.00 -0.22 1.72 3.08 0.00 0.28 114.38 119.27 2k0f h ARG 33 Ca 0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 2k0f h ARG 33 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2k0f h ARG 33 CO -0.00 0.29 -0.63 0.77 -1.07 0.00 0.00 179.97 179.34 2k0f h SER 34 N 0.00 0.87 -0.01 7.04 0.02 -1.26 -3.35 113.55 116.86 2k0f h SER 34 Ca -0.00 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2k0f h SER 34 Cb 0.90 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2k0f h SER 34 CO 0.04 1.28 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.93 2k0f h LEU 35 N 0.56 0.03 0.00 5.07 3.38 -1.22 -3.48 115.31 119.65 2k0f h LEU 35 Ca -0.01 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k0f h LEU 35 Cb 1.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2k0f h LEU 35 CO 0.13 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2k0f n GLY 36 N 0.24 0.00 4.02 0.83 0.00 -0.58 -4.94 105.19 104.76 2k0f n GLY 36 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 2.37 -0.43 1.61 -0.21 0.87 -4.98 119.66 118.89 2k0f s GLN 37 Ca 0.00 -1.46 0.05 0.00 0.02 0.00 0.00 55.36 53.97 2k0f s GLN 37 Cb 0.00 -2.63 0.18 0.00 1.00 0.00 0.00 33.01 31.56 2k0f s GLN 37 CO 0.00 -0.78 0.44 0.27 -2.12 0.00 0.00 175.29 173.10 2k0f n ASN 38 N -2.22 -1.00 -4.78 5.90 6.94 -1.26 -4.23 115.26 114.61 2k0f n ASN 38 Ca 0.14 -2.52 -0.37 0.00 -0.02 0.00 0.00 54.58 51.80 2k0f n ASN 38 Cb 0.61 -0.10 -0.05 0.00 -2.36 0.00 0.00 39.78 37.88 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2k0f s PRO 39 N 0.08 4.37 -0.13 -0.53 0.04 -1.26 -5.06 135.00 132.52 2k0f s PRO 39 Ca 0.33 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2k0f s PRO 39 Cb 0.05 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 2k0f s PRO 39 CO -0.17 0.05 0.81 0.99 0.04 0.00 0.00 177.00 178.72 2k0f s THR 40 N -1.60 4.92 0.27 1.26 2.01 -1.26 -4.98 115.64 116.26 2k0f s THR 40 Ca 0.54 1.62 0.22 0.00 0.31 0.00 0.00 61.69 64.38 2k0f s THR 40 Cb -0.22 -4.13 0.21 0.00 0.01 0.00 0.00 72.50 68.38 2k0f s THR 40 CO 0.27 0.10 1.89 -0.33 -0.69 0.00 0.00 174.62 175.86 2k0f h GLU 41 N 7.15 0.00 -0.54 4.92 5.08 -1.96 0.29 114.58 129.51 2k0f h GLU 41 Ca -0.33 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 41 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2k0f h GLU 41 CO 0.81 0.25 0.36 0.00 -1.00 0.00 0.00 179.01 179.42 2k0f h ALA 42 N 1.75 1.87 0.00 3.43 0.00 -2.00 0.52 119.26 124.83 2k0f h ALA 42 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 42 Cb 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2k0f h ALA 42 CO 0.03 0.04 -1.02 1.49 0.00 0.00 0.00 179.25 179.79 2k0f h GLU 43 N 0.50 0.00 0.00 0.00 4.81 -1.76 -3.38 114.58 114.74 2k0f h GLU 43 Ca 0.23 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 43 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2k0f h GLU 43 CO -0.06 0.93 -0.20 1.25 -0.73 0.00 0.00 179.01 180.20 2k0f h LEU 44 N -1.00 0.00 -1.76 1.64 5.85 -0.95 -2.11 115.31 116.98 2k0f h LEU 44 Ca -0.28 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2k0f h LEU 44 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2k0f h LEU 44 CO -0.17 0.20 0.20 -0.61 -0.34 0.00 0.00 178.44 177.72 2k0f h GLN 45 N 0.00 0.31 0.00 1.25 5.75 -1.07 -2.49 115.11 118.87 2k0f h GLN 45 Ca -0.00 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 2k0f h GLN 45 Cb 0.73 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2k0f h GLN 45 CO 0.03 0.21 -0.75 0.22 -2.65 0.00 0.00 178.83 175.89 2k0f h ASP 46 N 0.32 0.00 -0.59 -0.69 3.58 -1.57 0.43 116.42 117.90 2k0f h ASP 46 Ca 0.12 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.59 2k0f h ASP 46 Cb 0.08 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2k0f h ASP 46 CO -0.03 0.75 0.36 0.24 -2.88 0.00 0.00 179.24 177.68 2k0f h MET 47 N 0.00 0.69 -0.57 0.28 2.86 -1.55 -2.95 114.93 113.69 2k0f h MET 47 Ca -0.01 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 47 Cb 1.38 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2k0f h MET 47 CO 0.10 0.46 0.07 0.82 1.06 0.00 0.00 176.91 179.41 2k0f h ILE 48 N 0.71 1.26 0.00 -1.22 2.04 -1.02 -2.87 117.51 116.41 2k0f h ILE 48 Ca 0.24 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2k0f h ILE 48 Cb 0.02 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2k0f h ILE 48 CO -0.10 0.37 -0.04 -1.13 0.00 0.00 0.00 178.15 177.25 2k0f h ASN 49 N 0.85 0.00 0.10 1.72 -1.24 -0.15 0.93 115.58 117.78 2k0f h ASN 49 Ca 0.17 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.02 2k0f h ASN 49 Cb 0.45 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2k0f h ASN 49 CO 0.02 0.04 -0.56 -0.08 -1.29 0.00 0.00 177.43 175.55 2k0f h GLU 50 N 0.00 0.49 0.21 6.67 4.22 -1.33 -3.29 114.58 121.54 2k0f h GLU 50 Ca -0.00 -0.31 -0.31 0.00 0.08 0.00 0.00 59.36 58.82 2k0f h GLU 50 Cb 0.11 0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 50 CO 0.01 0.92 -1.41 0.28 -2.18 0.00 0.00 179.01 176.62 2k0f h VAL 51 N 0.37 1.23 -3.29 0.32 2.07 -1.08 -3.46 116.25 112.41 2k0f h VAL 51 Ca 0.00 -2.60 -0.57 0.00 0.82 0.00 0.00 66.70 64.35 2k0f h VAL 51 Cb 1.10 2.99 0.12 0.00 -1.52 0.00 0.00 31.29 33.98 2k0f h VAL 51 CO 0.10 0.79 0.40 -0.67 0.02 0.00 0.00 177.57 178.21 2k0f n ASP 52 N -3.79 2.23 -0.01 0.57 2.03 0.16 -4.85 116.55 112.88 2k0f n ASP 52 Ca -0.19 1.12 -0.05 0.00 0.52 0.00 0.00 54.79 56.19 2k0f n ASP 52 Cb 1.03 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N -0.09 2.48 0.02 -1.67 0.00 -1.26 -4.93 120.51 115.05 2k0f n ALA 53 Ca 0.07 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2k0f n ALA 53 Cb 0.38 0.30 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -0.27 -0.72 0.00 0.00 3.04 -1.96 -3.47 116.42 113.04 2k0f h ASP 54 Ca -0.10 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 54 Cb 0.72 0.31 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2k0f h ASP 54 CO -0.06 -0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.46 2k0f n GLY 55 N -1.36 -0.30 0.15 7.15 0.00 -1.26 -5.04 105.19 104.52 2k0f n GLY 55 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.99 -3.47 115.58 118.80 2k0f h ASN 56 Ca 0.00 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 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 0.01 0.00 0.61 -2.08 0.00 0.00 177.43 175.97 2k0f n GLY 57 N 1.21 1.20 3.21 9.14 0.00 -1.26 -5.03 105.19 113.66 2k0f n GLY 57 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.45 1.50 -0.13 2.61 -4.23 -1.26 -4.78 115.64 105.90 2k0f s THR 58 Ca 0.00 -1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 59.21 2k0f s THR 58 Cb 0.00 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2k0f s THR 58 CO 0.00 0.25 1.12 -0.63 -0.54 0.00 0.00 174.62 174.82 2k0f s ILE 59 N -0.66 4.52 0.38 2.99 1.01 0.11 -4.82 121.20 124.72 2k0f s ILE 59 Ca 0.06 1.82 0.05 0.00 0.00 0.00 0.00 60.65 62.59 2k0f s ILE 59 Cb -0.08 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 2k0f s ILE 59 CO 0.01 -0.07 0.53 -1.81 0.00 0.00 0.00 174.94 173.60 2k0f s ASP 60 N 1.39 5.87 0.12 3.58 1.11 -1.26 -1.08 116.67 126.40 2k0f s ASP 60 Ca 0.51 -0.13 -0.23 0.00 0.18 0.00 0.00 52.55 52.88 2k0f s ASP 60 Cb -0.20 -1.19 -0.07 0.00 1.07 0.00 0.00 42.92 42.53 2k0f s ASP 60 CO 0.15 -0.56 1.69 0.15 1.18 0.00 0.00 175.17 177.79 2k0f h PHE 61 N 0.73 -0.26 -0.13 4.23 3.57 -1.96 -2.44 116.94 120.69 2k0f h PHE 61 Ca -0.45 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.26 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2k0f h PHE 61 CO 0.42 -0.16 0.14 -1.00 -2.23 0.00 0.00 178.31 175.49 2k0f h PRO 62 N -0.15 0.00 -0.24 6.41 0.13 -1.97 -1.46 132.00 134.71 2k0f h PRO 62 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2k0f h PRO 62 Cb 0.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2k0f h PRO 62 CO -0.14 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 178.40 2k0f h GLU 63 N 0.00 0.54 -0.59 0.86 5.08 -1.81 -2.93 114.58 115.73 2k0f h GLU 63 Ca 0.06 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 63 Cb 0.34 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 63 CO -0.00 0.82 0.18 0.35 -1.00 0.00 0.00 179.01 179.36 2k0f h PHE 64 N 0.25 0.90 0.25 4.33 3.04 -1.03 -2.38 116.94 122.30 2k0f h PHE 64 Ca 0.05 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2k0f h PHE 64 Cb 0.69 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 2k0f h PHE 64 CO 0.07 0.73 -0.25 -0.07 -2.02 0.00 0.00 178.31 176.76 2k0f h LEU 65 N 0.86 -0.67 -1.71 0.59 3.38 -1.37 -2.75 115.31 113.64 2k0f h LEU 65 Ca 0.19 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2k0f h LEU 65 Cb 0.25 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k0f h LEU 65 CO -0.01 -0.37 0.08 0.00 0.09 0.00 0.00 178.44 178.24 2k0f h THR 66 N -0.54 1.08 -0.62 0.22 1.03 -1.39 0.56 112.91 113.25 2k0f h THR 66 Ca -0.01 -0.24 -0.01 0.00 -0.01 0.00 0.00 66.41 66.14 2k0f h THR 66 Cb 0.49 0.85 -0.03 0.00 -1.07 0.00 0.00 68.15 68.39 2k0f h THR 66 CO -0.05 0.09 0.33 -0.03 -0.01 0.00 0.00 175.52 175.85 2k0f h MET 67 N 0.27 0.87 0.00 0.00 -1.53 -1.49 0.62 114.93 113.67 2k0f h MET 67 Ca 0.07 -0.11 -0.13 0.00 -3.44 0.00 0.00 59.70 56.10 2k0f h MET 67 Cb 0.05 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 30.92 2k0f h MET 67 CO -0.01 0.67 -0.60 0.52 0.14 0.00 0.00 176.91 177.63 2k0f h MET 68 N 0.85 0.00 0.00 0.39 2.86 -1.06 -3.13 114.93 114.84 2k0f h MET 68 Ca 0.22 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2k0f h MET 68 Cb 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 68 CO -0.03 0.60 -0.01 0.00 1.06 0.00 0.00 176.91 178.52 2k0f h ALA 69 N 1.40 1.00 -2.58 6.32 0.00 -0.30 -3.47 119.26 121.63 2k0f h ALA 69 Ca -0.01 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 69 Cb 1.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 69 CO 0.08 0.02 0.48 0.50 0.00 0.00 0.00 179.25 180.32 2k0f s ARG 70 N -3.43 4.56 -0.51 0.00 3.52 0.15 -4.97 118.95 118.27 2k0f s ARG 70 Ca 0.04 1.68 -0.28 0.00 -0.13 0.00 0.00 55.73 57.03 2k0f s ARG 70 Cb 0.07 -3.32 0.03 0.00 -1.56 0.00 0.00 34.95 30.17 2k0f s ARG 70 CO 0.61 -0.01 1.13 0.21 -0.81 0.00 0.00 175.30 176.44 2k0f s LYS 71 N 0.16 3.64 0.48 5.12 2.47 -1.26 -5.00 119.74 125.35 2k0f s LYS 71 Ca 0.52 0.42 -0.05 0.00 -1.56 0.00 0.00 55.97 55.30 2k0f s LYS 71 Cb -0.28 -3.94 -0.03 0.00 -1.46 0.00 0.00 37.83 32.11 2k0f s LYS 71 CO 0.32 -1.46 0.77 -1.64 0.16 0.00 0.00 175.35 173.51 2k0f s MET 72 N 4.54 3.51 0.41 4.03 -1.94 -1.26 -5.03 119.30 123.55 2k0f s MET 72 Ca 0.45 0.15 -0.23 0.00 -1.71 0.00 0.00 55.69 54.35 2k0f s MET 72 Cb -0.07 -2.39 -0.09 0.00 2.01 0.00 0.00 34.83 34.28 2k0f s MET 72 CO 0.29 -0.20 1.04 0.15 -0.01 0.00 0.00 175.02 176.29 2k0f s LYS 73 N -4.72 4.11 0.22 2.03 1.02 -1.26 -4.81 119.74 116.33 2k0f s LYS 73 Ca 0.47 1.46 -0.06 0.00 0.02 0.00 0.00 55.97 57.86 2k0f s LYS 73 Cb -0.10 -2.45 0.20 0.00 -0.52 0.00 0.00 37.83 34.96 2k0f s LYS 73 CO 0.44 -0.18 1.76 -0.44 -0.92 0.00 0.00 175.35 176.01 2k0f h ASP 74 N 2.31 1.00 0.47 2.83 3.32 -1.98 0.50 116.42 124.88 2k0f h ASP 74 Ca -0.48 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.23 2k0f h ASP 74 Cb 1.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2k0f h ASP 74 CO 0.62 0.95 -0.61 0.71 -1.72 0.00 0.00 179.24 179.19 2k0f h THR 75 N 1.02 1.41 0.00 0.35 1.35 -2.02 -3.16 112.91 111.86 2k0f h THR 75 Ca 0.22 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2k0f h THR 75 Cb 0.33 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2k0f h THR 75 CO -0.00 0.59 -0.45 -0.67 -0.25 0.00 0.00 175.52 174.74 2k0f n ASP 76 N -3.85 0.67 0.07 5.36 2.03 -0.59 -3.21 116.55 117.03 2k0f n ASP 76 Ca -0.02 0.20 -0.07 0.00 0.52 0.00 0.00 54.79 55.42 2k0f n ASP 76 Cb 0.61 -0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.87 2k0f n ASP 76 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k0f h SER 77 N 0.00 0.03 -0.20 1.67 0.02 -0.91 -2.72 113.55 111.43 2k0f h SER 77 Ca 0.00 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 2k0f h SER 77 Cb 0.71 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2k0f h SER 77 CO 0.00 0.97 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.93 2k0f h GLU 78 N 0.01 0.62 0.00 3.45 5.08 -1.55 -3.31 114.58 118.88 2k0f h GLU 78 Ca -0.02 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 2k0f h GLU 78 Cb 1.68 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 2k0f h GLU 78 CO 0.13 1.02 -0.39 0.93 -1.00 0.00 0.00 179.01 179.70 2k0f h GLU 79 N 0.31 0.00 -0.46 2.33 5.08 -1.61 -2.38 114.58 117.84 2k0f h GLU 79 Ca 0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 79 Cb 1.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 2k0f h GLU 79 CO 0.09 0.39 0.03 1.49 -1.00 0.00 0.00 179.01 180.00 2k0f h GLU 80 N 0.00 0.14 -0.59 2.33 4.81 -1.61 -0.98 114.58 118.68 2k0f h GLU 80 Ca -0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 80 Cb 0.93 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 2k0f h GLU 80 CO 0.05 0.09 0.29 0.82 -0.73 0.00 0.00 179.01 179.53 2k0f h ILE 81 N 0.14 1.21 -0.35 2.32 2.04 -1.59 -1.98 117.51 119.31 2k0f h ILE 81 Ca 0.23 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2k0f h ILE 81 Cb 0.33 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2k0f h ILE 81 CO -0.36 0.24 0.05 -0.09 0.00 0.00 0.00 178.15 177.99 2k0f h ARG 82 N 0.81 0.53 0.00 2.37 2.43 -0.91 0.59 114.38 120.20 2k0f h ARG 82 Ca 0.20 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 2k0f h ARG 82 Cb 0.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2k0f h ARG 82 CO -0.03 0.51 -0.86 0.93 -1.51 0.00 0.00 179.97 179.01 2k0f h GLU 83 N 0.51 0.00 0.23 0.20 4.39 -1.23 -1.50 114.58 117.18 2k0f h GLU 83 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2k0f h GLU 83 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2k0f h GLU 83 CO 0.00 0.86 -0.11 0.00 -1.16 0.00 0.00 179.01 178.61 2k0f h ALA 84 N 1.14 -0.30 -0.62 3.43 0.00 -0.98 -2.94 119.26 118.98 2k0f h ALA 84 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 84 Cb 1.65 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 2k0f h ALA 84 CO 0.11 -0.59 0.11 0.35 0.00 0.00 0.00 179.25 179.22 2k0f h PHE 85 N -0.46 0.16 -0.99 0.00 3.04 -0.92 -3.07 116.94 114.71 2k0f h PHE 85 Ca -0.03 0.04 0.20 0.00 3.98 0.00 0.00 57.97 62.16 2k0f h PHE 85 Cb 0.35 0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.79 2k0f h PHE 85 CO -0.02 -0.07 0.62 -0.09 -2.02 0.00 0.00 178.31 176.73 2k0f h ARG 86 N 0.23 0.61 -0.28 1.11 2.43 -1.10 -1.19 114.38 116.20 2k0f h ARG 86 Ca 0.33 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2k0f h ARG 86 Cb 0.52 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2k0f h ARG 86 CO -0.45 0.41 0.01 0.28 -1.51 0.00 0.00 179.97 178.71 2k0f h VAL 87 N 0.63 1.25 -0.12 0.20 2.07 -1.42 -3.28 116.25 115.57 2k0f h VAL 87 Ca 0.55 -0.89 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 2k0f h VAL 87 Cb 1.04 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2k0f h VAL 87 CO -0.32 0.28 -0.55 -0.26 0.02 0.00 0.00 177.57 176.75 2k0f h PHE 88 N 0.27 0.45 -3.66 1.57 0.04 -1.56 -3.41 116.94 110.66 2k0f h PHE 88 Ca 0.08 -0.16 -0.78 0.00 2.80 0.00 0.00 57.97 59.91 2k0f h PHE 88 Cb 0.40 -0.09 -0.26 0.00 2.20 0.00 0.00 35.95 38.21 2k0f h PHE 88 CO 0.03 0.83 0.01 0.34 -0.60 0.00 0.00 178.31 178.92 2k0f s ASP 89 N -6.90 6.59 0.11 2.17 2.15 -0.48 -4.90 116.67 115.41 2k0f s ASP 89 Ca -0.05 -2.50 -0.18 0.00 0.43 0.00 0.00 52.55 50.25 2k0f s ASP 89 Cb 0.12 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 2k0f s ASP 89 CO 0.81 -0.63 1.64 0.50 -0.17 0.00 0.00 175.17 177.32 2k0f h LYS 90 N 8.00 0.47 -0.07 4.34 3.64 -1.78 -3.18 116.57 127.98 2k0f h LYS 90 Ca 0.01 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 2k0f h LYS 90 Cb 1.05 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2k0f h LYS 90 CO 0.81 0.50 -0.76 0.38 -2.27 0.00 0.00 179.45 178.11 2k0f h ASP 91 N 0.34 0.79 0.00 4.20 2.03 -1.93 -3.49 116.42 118.37 2k0f h ASP 91 Ca 0.10 -0.69 0.00 0.00 -0.73 0.00 0.00 57.03 55.71 2k0f h ASP 91 Cb 0.21 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2k0f h ASP 91 CO -0.01 1.36 0.00 0.61 -1.03 0.00 0.00 179.24 180.17 2k0f n GLY 92 N 0.88 1.30 0.19 7.15 0.00 -1.20 -4.99 105.19 108.52 2k0f n GLY 92 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.94 -3.47 115.58 110.71 2k0f h ASN 93 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 1.13 0.75 2.86 9.14 0.00 -1.26 -5.07 105.19 112.73 2k0f n GLY 94 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 -0.01 -0.38 1.61 1.51 -1.26 -3.71 117.35 113.11 2k0f s TYR 95 Ca 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 2k0f s TYR 95 Cb 0.00 -0.05 0.11 0.00 -0.11 0.00 0.00 41.96 41.90 2k0f s TYR 95 CO 0.00 -0.03 0.14 0.42 -1.11 0.00 0.00 175.55 174.96 2k0f s ILE 96 N 0.30 2.86 0.89 2.71 1.01 -0.52 -4.90 121.20 123.55 2k0f s ILE 96 Ca -0.02 -2.17 -0.12 0.00 0.00 0.00 0.00 60.65 58.33 2k0f s ILE 96 Cb -0.03 -3.01 0.17 0.00 0.01 0.00 0.00 42.46 39.59 2k0f s ILE 96 CO -0.01 -0.64 1.23 -0.94 0.00 0.00 0.00 174.94 174.58 2k0f s SER 97 N 1.44 3.57 0.38 3.58 1.04 -1.26 -1.20 113.70 121.24 2k0f s SER 97 Ca 0.09 0.23 0.14 0.00 0.48 0.00 0.00 55.95 56.89 2k0f s SER 97 Cb -0.21 -0.41 0.74 0.00 0.10 0.00 0.00 66.02 66.24 2k0f s SER 97 CO -0.06 -2.43 1.82 0.00 0.98 0.00 0.00 173.24 173.55 2k0f h ALA 98 N -1.33 1.33 -0.16 5.32 0.00 -1.98 0.15 119.26 122.59 2k0f h ALA 98 Ca -0.43 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 53.94 2k0f h ALA 98 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 98 CO 0.43 0.46 -0.69 0.00 0.00 0.00 0.00 179.25 179.45 2k0f h ALA 99 N 1.63 0.48 0.05 0.00 0.00 -1.94 -2.55 119.26 116.92 2k0f h ALA 99 Ca -0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 99 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k0f h ALA 99 CO 0.05 0.71 -1.04 0.93 0.00 0.00 0.00 179.25 179.89 2k0f h GLU 100 N 0.48 0.37 0.22 0.00 5.08 -1.79 -2.75 114.58 116.17 2k0f h GLU 100 Ca -0.03 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k0f h GLU 100 Cb 1.29 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2k0f h GLU 100 CO 0.14 1.14 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.78 2k0f h LEU 101 N 0.18 -1.27 0.08 1.33 3.38 -0.68 0.25 115.31 118.57 2k0f h LEU 101 Ca -0.10 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 101 Cb 1.70 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 42.89 2k0f h LEU 101 CO 0.18 -0.50 -0.14 -0.09 0.09 0.00 0.00 178.44 177.98 2k0f h ARG 102 N -0.71 -0.27 -0.54 1.13 2.43 -1.51 -2.34 114.38 112.58 2k0f h ARG 102 Ca -0.02 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2k0f h ARG 102 Cb 0.67 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.17 2k0f h ARG 102 CO -0.17 -0.18 -0.27 1.25 -1.51 0.00 0.00 179.97 179.09 2k0f h HIS 103 N -0.28 -0.72 -0.70 2.20 2.76 -1.44 0.91 115.15 117.89 2k0f h HIS 103 Ca 0.02 0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2k0f h HIS 103 Cb 0.30 0.40 -0.05 0.00 1.55 0.00 0.00 27.41 29.61 2k0f h HIS 103 CO -0.16 -0.34 0.43 0.28 -1.30 0.00 0.00 177.93 176.84 2k0f h VAL 104 N -0.14 1.07 0.00 5.26 2.07 -0.26 -1.35 116.25 122.91 2k0f h VAL 104 Ca 0.24 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 2k0f h VAL 104 Cb 0.52 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2k0f h VAL 104 CO -0.62 0.15 -0.72 0.24 0.02 0.00 0.00 177.57 176.64 2k0f h MET 105 N 0.84 0.00 -0.41 1.57 2.86 -0.91 0.10 114.93 118.99 2k0f h MET 105 Ca 0.29 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2k0f h MET 105 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 105 CO -0.12 0.72 0.24 1.15 1.06 0.00 0.00 176.91 179.95 2k0f h THR 106 N 0.00 1.14 -0.19 2.22 2.02 -0.41 0.30 112.91 117.98 2k0f h THR 106 Ca -0.01 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2k0f h THR 106 Cb 1.36 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2k0f h THR 106 CO 0.09 0.14 0.10 0.78 0.37 0.00 0.00 175.52 177.00 2k0f h ASN 107 N 0.53 0.15 -0.45 4.18 2.35 -1.06 -3.18 115.58 118.10 2k0f h ASN 107 Ca 0.14 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 2k0f h ASN 107 Cb 0.02 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 2k0f h ASN 107 CO -0.03 0.12 -0.20 0.25 -1.65 0.00 0.00 177.43 175.92 2k0f h LEU 108 N 0.21 -0.68 0.00 1.61 5.85 -0.60 -3.46 115.31 118.24 2k0f h LEU 108 Ca 0.08 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 108 Cb 0.01 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2k0f h LEU 108 CO -0.05 -0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.43 2k0f n GLY 109 N -1.39 0.00 3.86 3.75 0.00 0.30 -4.89 105.19 106.81 2k0f n GLY 109 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.64 -0.49 1.61 0.41 0.78 -4.93 118.70 119.72 2k0f s GLU 110 Ca 0.00 0.84 0.08 0.00 -0.41 0.00 0.00 54.97 55.48 2k0f s GLU 110 Cb 0.00 -2.09 0.31 0.00 -1.78 0.00 0.00 34.13 30.58 2k0f s GLU 110 CO 0.00 -0.53 0.78 1.63 -0.49 0.00 0.00 175.26 176.65 2k0f n LYS 111 N -2.42 2.01 -2.54 1.61 5.02 -1.26 -4.33 118.16 116.25 2k0f n LYS 111 Ca 0.06 -4.11 -0.40 0.00 -2.02 0.00 0.00 58.31 51.84 2k0f n LYS 111 Cb 0.54 -1.91 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -2.61 4.56 0.65 -0.35 1.43 -1.26 -5.06 118.68 116.04 2k0f s LEU 112 Ca 0.42 2.17 -0.10 0.00 -1.03 0.00 0.00 54.13 55.60 2k0f s LEU 112 Cb 0.26 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 2k0f s LEU 112 CO -0.09 -0.10 1.02 0.42 0.23 0.00 0.00 176.35 177.83 2k0f s THR 113 N -0.99 3.91 0.42 5.49 -4.23 -1.26 -4.94 115.64 114.04 2k0f s THR 113 Ca 0.45 0.46 0.14 0.00 -1.18 0.00 0.00 61.69 61.55 2k0f s THR 113 Cb -0.30 -3.59 0.15 0.00 1.34 0.00 0.00 72.50 70.10 2k0f s THR 113 CO 0.38 -0.73 1.94 0.44 -0.54 0.00 0.00 174.62 176.11 2k0f h ASP 114 N -0.42 0.01 -0.48 3.99 5.19 -1.99 -0.20 116.42 122.52 2k0f h ASP 114 Ca -0.45 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.93 2k0f h ASP 114 Cb 1.24 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 2k0f h ASP 114 CO 0.63 0.24 0.20 -0.08 -3.12 0.00 0.00 179.24 177.11 2k0f h GLU 115 N 0.01 0.77 -0.48 3.56 4.81 -1.98 -1.17 114.58 120.09 2k0f h GLU 115 Ca -0.00 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 115 Cb 0.42 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 115 CO 0.03 0.64 -0.10 0.93 -0.73 0.00 0.00 179.01 179.78 2k0f h GLU 116 N 0.76 0.87 -0.18 1.92 4.39 -1.41 -1.47 114.58 119.46 2k0f h GLU 116 Ca 0.18 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 2k0f h GLU 116 Cb 0.17 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k0f h GLU 116 CO -0.02 0.93 -0.18 0.28 -1.16 0.00 0.00 179.01 178.87 2k0f h VAL 117 N 0.78 1.33 0.00 3.13 2.07 -1.34 -1.30 116.25 120.93 2k0f h VAL 117 Ca 0.13 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 2k0f h VAL 117 Cb 0.61 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2k0f h VAL 117 CO 0.04 0.40 -0.30 -0.78 0.02 0.00 0.00 177.57 176.96 2k0f h ASP 118 N 0.11 0.00 -0.03 0.57 3.58 -1.17 -2.07 116.42 117.41 2k0f h ASP 118 Ca 0.03 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2k0f h ASP 118 Cb 0.71 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.77 2k0f h ASP 118 CO 0.04 0.30 -0.33 -0.08 -2.88 0.00 0.00 179.24 176.29 2k0f h GLU 119 N 0.00 0.27 -0.50 0.28 4.81 -1.25 -2.49 114.58 115.70 2k0f h GLU 119 Ca -0.00 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 119 Cb 0.54 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 119 CO 0.04 0.94 0.12 1.98 -0.73 0.00 0.00 179.01 181.36 2k0f h MET 120 N -0.30 0.75 0.06 1.92 4.05 -1.06 0.29 114.93 120.63 2k0f h MET 120 Ca -0.03 -0.14 -0.17 0.00 -0.28 0.00 0.00 59.70 59.07 2k0f h MET 120 Cb 1.04 -0.12 0.02 0.00 -0.80 0.00 0.00 31.60 31.74 2k0f h MET 120 CO 0.07 0.68 -0.71 0.82 0.23 0.00 0.00 176.91 178.00 2k0f h ILE 121 N 0.73 1.45 -0.66 1.77 2.04 -1.43 -3.29 117.51 118.12 2k0f h ILE 121 Ca 0.16 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.74 2k0f h ILE 121 Cb 0.27 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 2k0f h ILE 121 CO -0.00 0.65 0.34 -0.09 0.00 0.00 0.00 178.15 179.05 2k0f h ARG 122 N -0.19 0.94 -0.97 2.37 2.43 -1.04 -2.23 114.38 115.69 2k0f h ARG 122 Ca -0.10 -0.13 0.19 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 122 Cb 1.46 -0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 30.75 2k0f h ARG 122 CO 0.14 0.73 0.61 1.05 -1.51 0.00 0.00 179.97 180.99 2k0f h GLU 123 N 0.91 0.62 0.00 0.20 4.11 -1.07 -3.35 114.58 116.00 2k0f h GLU 123 Ca 0.23 -0.04 -0.22 0.00 0.07 0.00 0.00 59.36 59.40 2k0f h GLU 123 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 123 CO -0.03 0.41 -1.62 0.00 0.07 0.00 0.00 179.01 177.84 2k0f n ALA 124 N -2.40 0.96 -2.42 1.06 0.00 -1.03 -4.88 120.51 111.80 2k0f n ALA 124 Ca 0.22 -0.86 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 2k0f n ALA 124 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -6.66 6.17 0.38 0.00 -1.08 -0.87 -4.83 116.67 109.78 2k0f s ASP 125 Ca -0.32 -1.47 0.15 0.00 -0.52 0.00 0.00 52.55 50.39 2k0f s ASP 125 Cb 0.09 -2.57 0.78 0.00 -1.46 0.00 0.00 42.92 39.76 2k0f s ASP 125 CO 0.45 -1.82 1.84 0.40 0.52 0.00 0.00 175.17 176.55 2k0f h ILE 126 N 6.64 1.16 0.00 4.11 1.08 -1.89 -3.05 117.51 125.56 2k0f h ILE 126 Ca 0.22 -1.24 -0.11 0.00 -0.39 0.00 0.00 64.86 63.34 2k0f h ILE 126 Cb 0.98 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 2k0f h ILE 126 CO 1.37 0.35 -0.50 -2.24 -0.69 0.00 0.00 178.15 176.44 2k0f h ASP 127 N 0.00 0.00 -0.46 1.72 3.04 -1.99 -3.48 116.42 115.24 2k0f h ASP 127 Ca -0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 2k0f h ASP 127 Cb 0.66 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.95 2k0f h ASP 127 CO 0.05 0.50 -0.04 0.61 -2.04 0.00 0.00 179.24 178.32 2k0f n GLY 128 N 0.91 0.45 0.14 7.15 0.00 -1.15 -4.96 105.19 107.73 2k0f n GLY 128 Ca 0.01 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.04 0.00 0.00 1.61 3.04 -1.94 -3.48 116.42 115.61 2k0f h ASP 129 Ca -0.03 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2k0f h ASP 129 Cb 1.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 2k0f h ASP 129 CO 0.04 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.11 2k0f n GLY 130 N 1.22 0.68 3.62 7.15 0.00 -1.26 -5.05 105.19 111.54 2k0f n GLY 130 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 131 N -0.77 3.44 -0.12 1.61 0.74 -1.26 -4.17 119.66 119.12 2k0f s GLN 131 Ca 0.00 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 2k0f s GLN 131 Cb 0.00 -2.94 -0.01 0.00 1.10 0.00 0.00 33.01 31.17 2k0f s GLN 131 CO 0.00 0.46 1.02 0.08 -0.55 0.00 0.00 175.29 176.30 2k0f s VAL 132 N -0.21 4.75 0.26 1.34 1.01 -0.34 -4.95 120.40 122.26 2k0f s VAL 132 Ca 0.05 2.02 0.03 0.00 0.00 0.00 0.00 61.98 64.09 2k0f s VAL 132 Cb -0.12 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.00 2k0f s VAL 132 CO 0.02 -0.02 0.36 -0.46 0.00 0.00 0.00 175.10 175.00 2k0f n ASN 133 N 5.19 0.85 0.16 3.32 0.23 -1.26 -1.44 115.26 122.31 2k0f n ASN 133 Ca 0.09 -1.63 -0.06 0.00 -0.53 0.00 0.00 54.58 52.45 2k0f n ASN 133 Cb 0.48 -0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.06 -0.38 -1.23 -2.53 3.20 -1.99 -2.85 116.97 111.13 2k0f h TYR 134 Ca -0.12 -0.01 0.41 0.00 3.14 0.00 0.00 58.73 62.15 2k0f h TYR 134 Cb 0.54 0.13 -0.13 0.00 1.54 0.00 0.00 36.73 38.80 2k0f h TYR 134 CO 0.00 -0.24 0.77 0.93 -1.64 0.00 0.00 178.16 177.98 2k0f h GLU 135 N -0.42 0.12 -0.66 1.82 3.07 -1.97 -0.57 114.58 115.97 2k0f h GLU 135 Ca -0.04 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2k0f h GLU 135 Cb 0.32 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2k0f h GLU 135 CO 0.07 0.08 0.44 1.49 -1.40 0.00 0.00 179.01 179.69 2k0f h GLU 136 N 0.12 0.84 0.00 2.33 4.81 -1.91 -2.47 114.58 118.30 2k0f h GLU 136 Ca 0.80 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.80 2k0f h GLU 136 Cb 2.36 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 31.53 2k0f h GLU 136 CO -0.47 0.56 -0.85 0.35 -0.73 0.00 0.00 179.01 177.87 2k0f h PHE 137 N 0.87 0.00 -0.09 0.92 3.57 -0.89 -3.36 116.94 117.95 2k0f h PHE 137 Ca 0.25 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2k0f h PHE 137 Cb -0.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2k0f h PHE 137 CO -0.00 0.85 -0.36 0.28 -2.23 0.00 0.00 178.31 176.84 2k0f h VAL 138 N 0.00 1.28 0.00 1.41 2.07 -0.96 -2.46 116.25 117.60 2k0f h VAL 138 Ca -0.01 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2k0f h VAL 138 Cb 1.59 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2k0f h VAL 138 CO 0.11 0.41 -0.11 0.06 0.02 0.00 0.00 177.57 178.06 2k0f h GLN 139 N 0.17 0.00 -0.27 1.57 3.07 -1.69 -3.15 115.11 114.81 2k0f h GLN 139 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 2k0f h GLN 139 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2k0f h GLN 139 CO 0.05 0.11 0.16 1.98 0.09 0.00 0.00 178.83 181.23 2k0f h MET 140 N 0.00 0.36 0.00 0.06 4.05 -1.61 -3.31 114.93 114.48 2k0f h MET 140 Ca -0.00 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.17 2k0f h MET 140 Cb 1.02 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.71 2k0f h MET 140 CO 0.01 0.28 -1.42 0.52 0.23 0.00 0.00 176.91 176.53 2k0f h MET 141 N 0.34 0.00 0.00 0.39 2.86 -1.64 -3.53 114.93 113.35 2k0f h MET 141 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2k0f h MET 141 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2k0f h MET 141 CO -0.02 0.47 0.00 0.25 1.06 0.00 0.00 176.91 178.68