#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 0.26 -0.43 -0.78 4.39 -2.05 -1.81 114.58 114.17 2k0f h GLU 2 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 2 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2k0f h GLU 2 CO 0.00 0.17 0.19 0.93 -1.16 0.00 0.00 179.01 179.15 2k0f h GLU 3 N 0.27 0.60 -0.19 2.33 5.08 -2.05 0.26 114.58 120.88 2k0f h GLU 3 Ca 0.40 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2k0f h GLU 3 Cb 0.68 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 3 CO -0.50 0.48 0.08 1.96 -1.00 0.00 0.00 179.01 180.03 2k0f h GLN 4 N 0.60 0.28 -0.25 2.33 4.20 -1.79 -2.03 115.11 118.45 2k0f h GLN 4 Ca 0.15 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2k0f h GLN 4 Cb 0.09 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2k0f h GLN 4 CO -0.02 0.35 0.10 0.82 -0.67 0.00 0.00 178.83 179.42 2k0f h ILE 5 N 0.15 0.97 -0.58 2.54 1.08 -0.93 -2.65 117.51 118.09 2k0f h ILE 5 Ca 0.06 -0.08 -0.09 0.00 -0.39 0.00 0.00 64.86 64.36 2k0f h ILE 5 Cb 0.17 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2k0f h ILE 5 CO -0.01 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.50 2k0f h ALA 6 N 1.14 0.91 -0.74 1.87 0.00 -0.34 -1.76 119.26 120.33 2k0f h ALA 6 Ca 0.10 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 6 Cb 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 2k0f h ALA 6 CO -0.09 0.65 0.37 1.49 0.00 0.00 0.00 179.25 181.67 2k0f h GLU 7 N 0.92 0.59 -0.03 0.00 4.81 -1.31 -0.82 114.58 118.74 2k0f h GLU 7 Ca 0.17 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 7 Cb 0.53 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 7 CO 0.03 0.39 -0.66 0.74 -0.73 0.00 0.00 179.01 178.77 2k0f h PHE 8 N 0.61 0.17 -0.43 0.92 0.04 -1.35 -3.24 116.94 113.65 2k0f h PHE 8 Ca 0.37 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.96 2k0f h PHE 8 Cb 0.43 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2k0f h PHE 8 CO -0.11 0.75 -0.17 -0.22 -0.60 0.00 0.00 178.31 177.96 2k0f h LYS 9 N 0.09 0.83 -0.46 1.51 3.64 -0.55 -0.86 116.57 120.77 2k0f h LYS 9 Ca -0.01 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2k0f h LYS 9 Cb 1.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2k0f h LYS 9 CO 0.10 0.94 0.08 0.93 -2.27 0.00 0.00 179.45 179.22 2k0f h GLU 10 N 0.74 0.72 -0.15 1.90 4.39 -1.24 -0.79 114.58 120.13 2k0f h GLU 10 Ca 0.11 -0.15 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 2k0f h GLU 10 Cb 0.69 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2k0f h GLU 10 CO 0.05 0.68 -0.65 0.00 -1.16 0.00 0.00 179.01 177.93 2k0f h ALA 11 N 1.40 0.57 -0.26 3.43 0.00 -1.54 -1.80 119.26 121.06 2k0f h ALA 11 Ca 0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 11 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 11 CO 0.00 0.71 0.12 0.35 0.00 0.00 0.00 179.25 180.44 2k0f h PHE 12 N 0.42 0.38 -0.50 0.00 3.04 -0.86 -3.04 116.94 116.38 2k0f h PHE 12 Ca -0.02 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.98 2k0f h PHE 12 Cb 1.23 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.59 2k0f h PHE 12 CO 0.05 0.36 0.34 0.77 -2.02 0.00 0.00 178.31 177.81 2k0f h SER 13 N 0.29 0.37 -0.70 0.41 0.02 -0.34 -0.08 113.55 113.52 2k0f h SER 13 Ca 0.09 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2k0f h SER 13 Cb 0.12 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2k0f h SER 13 CO -0.01 0.24 0.41 0.25 -1.14 0.00 0.00 176.83 176.58 2k0f h LEU 14 N 0.42 0.63 0.37 5.07 5.85 -1.28 -3.26 115.31 123.11 2k0f h LEU 14 Ca 0.22 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2k0f h LEU 14 Cb 0.32 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2k0f h LEU 14 CO -0.06 0.41 -0.18 -0.26 -0.34 0.00 0.00 178.44 178.02 2k0f h PHE 15 N 0.76 -0.46 -2.87 1.25 0.04 -1.21 -3.43 116.94 111.03 2k0f h PHE 15 Ca 0.30 -0.01 -0.56 0.00 2.80 0.00 0.00 57.97 60.50 2k0f h PHE 15 Cb 0.15 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 2k0f h PHE 15 CO -0.06 -0.13 1.00 0.34 -0.60 0.00 0.00 178.31 178.86 2k0f s ASP 16 N -4.99 6.70 0.06 2.17 -1.08 -0.14 -4.67 116.67 114.73 2k0f s ASP 16 Ca -0.14 1.68 0.24 0.00 -0.52 0.00 0.00 52.55 53.81 2k0f s ASP 16 Cb 0.02 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.18 2k0f s ASP 16 CO 0.51 -0.97 1.21 0.29 0.52 0.00 0.00 175.17 176.73 2k0f n LYS 17 N 7.10 0.20 -0.12 4.34 4.76 -1.26 -4.07 118.16 129.11 2k0f n LYS 17 Ca 0.16 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.36 2k0f n LYS 17 Cb 0.45 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 31.94 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -1.87 1.92 0.00 4.39 8.00 -1.26 -5.06 116.55 122.67 2k0f n ASP 18 Ca 0.03 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2k0f n ASP 18 Cb 0.41 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.36 0.87 0.01 0.44 0.00 -1.26 -5.08 105.19 101.53 2k0f n GLY 19 Ca -0.45 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 4.13 0.00 1.61 5.68 -1.26 -5.04 116.55 121.67 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 20 Cb 0.00 0.87 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 2.54 1.04 3.14 6.12 0.00 -1.26 -5.09 105.19 111.68 2k0f n GLY 21 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 1.10 -0.28 2.61 -4.23 -1.26 -4.37 115.64 107.21 2k0f s THR 22 Ca 0.00 -0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 59.46 2k0f s THR 22 Cb 0.00 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2k0f s THR 22 CO 0.00 0.04 0.16 -0.63 -0.54 0.00 0.00 174.62 173.65 2k0f s ILE 23 N -0.79 4.93 0.47 2.99 1.01 -0.57 -4.80 121.20 124.44 2k0f s ILE 23 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2k0f s ILE 23 Cb -0.08 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 39.04 2k0f s ILE 23 CO 0.01 0.23 0.64 0.42 0.00 0.00 0.00 174.94 176.24 2k0f s THR 24 N 1.70 2.87 0.15 2.92 -4.23 -1.26 -1.32 115.64 116.46 2k0f s THR 24 Ca 0.06 -0.89 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 2k0f s THR 24 Cb -0.16 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 2k0f s THR 24 CO 0.08 0.00 1.77 0.71 -0.54 0.00 0.00 174.62 176.64 2k0f h THR 25 N 0.44 0.98 -0.26 3.99 1.35 -1.94 -1.39 112.91 116.08 2k0f h THR 25 Ca -0.41 -0.11 0.03 0.00 -0.55 0.00 0.00 66.41 65.38 2k0f h THR 25 Cb 1.29 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 2k0f h THR 25 CO 0.47 0.06 0.05 0.07 -0.25 0.00 0.00 175.52 175.92 2k0f h LYS 26 N 0.32 0.15 0.05 4.72 2.10 -1.98 0.27 116.57 122.19 2k0f h LYS 26 Ca 0.13 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.79 2k0f h LYS 26 Cb 0.06 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 2k0f h LYS 26 CO -0.10 0.10 -0.14 0.93 -2.00 0.00 0.00 179.45 178.24 2k0f h GLU 27 N 0.15 -0.25 -0.45 0.07 5.08 -1.74 -2.42 114.58 115.03 2k0f h GLU 27 Ca 0.12 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 27 Cb 0.12 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 27 CO -0.15 -0.17 -0.41 1.25 -1.00 0.00 0.00 179.01 178.53 2k0f h LEU 28 N -0.26 -1.36 -0.43 1.33 5.85 -1.25 -2.43 115.31 116.76 2k0f h LEU 28 Ca 0.03 0.22 0.09 0.00 0.84 0.00 0.00 57.88 59.06 2k0f h LEU 28 Cb 0.29 0.61 -0.09 0.00 0.37 0.00 0.00 40.66 41.85 2k0f h LEU 28 CO -0.10 -0.35 -0.16 1.23 -0.34 0.00 0.00 178.44 178.72 2k0f h GLY 29 N -0.29 0.20 -0.09 3.75 0.00 -0.36 -0.72 103.07 105.57 2k0f h GLY 29 Ca 0.16 0.21 0.15 0.00 0.00 0.00 0.00 47.33 47.84 2k0f h GLY 29 CO -0.60 -0.19 0.10 -0.84 0.00 0.00 0.00 176.54 175.01 2k0f h THR 30 N -0.07 0.49 -0.03 4.70 2.02 -1.43 0.24 112.91 118.85 2k0f h THR 30 Ca 0.21 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2k0f h THR 30 Cb 0.39 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2k0f h THR 30 CO -0.48 0.04 0.00 0.58 0.37 0.00 0.00 175.52 176.03 2k0f h VAL 31 N 0.20 1.23 -0.74 3.16 2.07 -0.94 -1.89 116.25 119.34 2k0f h VAL 31 Ca 0.38 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2k0f h VAL 31 Cb 0.64 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2k0f h VAL 31 CO -0.53 0.18 0.46 -0.03 0.02 0.00 0.00 177.57 177.67 2k0f h MET 32 N -0.23 0.84 -0.25 1.57 -1.53 -0.93 0.18 114.93 114.58 2k0f h MET 32 Ca 0.01 -0.05 -0.08 0.00 -3.44 0.00 0.00 59.70 56.13 2k0f h MET 32 Cb 0.29 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.15 2k0f h MET 32 CO 0.00 0.56 -0.18 0.00 0.14 0.00 0.00 176.91 177.43 2k0f h ARG 33 N 0.87 0.56 -0.92 0.39 3.08 -0.82 -0.98 114.38 116.56 2k0f h ARG 33 Ca 0.31 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 60.11 2k0f h ARG 33 Cb 0.08 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 2k0f h ARG 33 CO -0.14 0.84 0.61 0.77 -1.07 0.00 0.00 179.97 180.98 2k0f h SER 34 N 0.27 1.04 0.55 7.04 0.02 -1.04 -1.06 113.55 120.38 2k0f h SER 34 Ca 0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 34 Cb 0.71 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2k0f h SER 34 CO 0.05 0.74 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.92 2k0f h LEU 35 N 1.22 -1.30 0.00 5.07 3.38 -1.02 -3.45 115.31 119.21 2k0f h LEU 35 Ca 0.34 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2k0f h LEU 35 Cb -0.10 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k0f h LEU 35 CO -0.09 -0.66 0.00 0.61 0.09 0.00 0.00 178.44 178.39 2k0f n GLY 36 N -1.56 0.00 2.79 0.83 0.00 -0.40 -5.02 105.19 101.83 2k0f n GLY 36 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.64 -0.67 1.61 0.74 -0.57 -4.97 119.66 116.43 2k0f s GLN 37 Ca 0.00 0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.54 2k0f s GLN 37 Cb 0.00 -0.96 0.23 0.00 1.10 0.00 0.00 33.01 33.38 2k0f s GLN 37 CO 0.00 -0.28 0.70 0.09 -0.55 0.00 0.00 175.29 175.25 2k0f n ASN 38 N 5.01 3.64 -2.23 6.67 3.02 -1.26 -2.92 115.26 127.19 2k0f n ASN 38 Ca -0.09 -3.38 -0.01 0.00 -0.03 0.00 0.00 54.58 51.07 2k0f n ASN 38 Cb 0.50 -0.72 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 2k0f n ASN 38 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2k0f n PRO 39 N 1.19 -0.42 -2.97 3.52 -0.04 -1.26 -5.08 135.00 129.95 2k0f n PRO 39 Ca 0.27 -0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 2k0f n PRO 39 Cb 0.39 -0.04 0.02 0.00 -0.04 0.00 0.00 33.50 33.83 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -1.07 3.22 -0.07 0.52 -4.23 -1.26 -5.01 115.64 107.75 2k0f s THR 40 Ca 0.02 -0.82 0.30 0.00 -1.18 0.00 0.00 61.69 60.01 2k0f s THR 40 Cb -0.00 -3.14 0.37 0.00 1.34 0.00 0.00 72.50 71.07 2k0f s THR 40 CO 0.01 -0.07 1.86 -0.33 -0.54 0.00 0.00 174.62 175.55 2k0f h GLU 41 N 0.47 0.00 -0.24 3.99 4.39 -2.01 -2.80 114.58 118.37 2k0f h GLU 41 Ca -0.43 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.12 2k0f h GLU 41 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2k0f h GLU 41 CO 0.50 0.01 -0.49 0.00 -1.16 0.00 0.00 179.01 177.88 2k0f h ALA 42 N 1.99 0.69 -0.40 3.43 0.00 -2.00 -3.17 119.26 119.80 2k0f h ALA 42 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 42 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 42 CO 0.00 0.67 -0.35 0.93 0.00 0.00 0.00 179.25 180.51 2k0f h GLU 43 N 0.51 0.95 -0.70 0.00 5.08 -1.90 -2.26 114.58 116.26 2k0f h GLU 43 Ca 0.02 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 43 Cb 1.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2k0f h GLU 43 CO 0.10 1.14 0.32 -0.07 -1.00 0.00 0.00 179.01 179.50 2k0f h LEU 44 N 0.78 0.91 -1.22 1.33 3.38 -1.53 -0.27 115.31 118.68 2k0f h LEU 44 Ca 0.07 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 44 Cb 0.94 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2k0f h LEU 44 CO 0.09 0.78 0.53 1.56 0.09 0.00 0.00 178.44 181.49 2k0f h GLN 45 N 0.99 1.04 -0.31 1.13 4.20 -1.52 -2.18 115.11 118.46 2k0f h GLN 45 Ca 0.24 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2k0f h GLN 45 Cb 0.13 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2k0f h GLN 45 CO -0.03 0.69 -0.18 0.22 -0.67 0.00 0.00 178.83 178.85 2k0f h ASP 46 N 1.07 0.57 -0.08 1.46 3.58 -0.50 0.20 116.42 122.72 2k0f h ASP 46 Ca 0.29 -0.18 -0.13 0.00 0.42 0.00 0.00 57.03 57.44 2k0f h ASP 46 Cb -0.11 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2k0f h ASP 46 CO -0.07 0.76 -0.36 0.24 -2.88 0.00 0.00 179.24 176.93 2k0f h MET 47 N 0.51 0.58 0.25 0.28 2.86 -0.97 -2.04 114.93 116.41 2k0f h MET 47 Ca 0.08 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 47 Cb 0.61 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 47 CO 0.04 0.86 -0.12 0.82 1.06 0.00 0.00 176.91 179.57 2k0f h ILE 48 N 0.49 0.41 -0.88 -1.22 2.04 -1.25 -3.26 117.51 113.84 2k0f h ILE 48 Ca 0.05 -0.91 0.22 0.00 1.00 0.00 0.00 64.86 65.22 2k0f h ILE 48 Cb 0.86 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2k0f h ILE 48 CO 0.07 0.11 0.60 -1.13 0.00 0.00 0.00 178.15 177.80 2k0f h ASN 49 N -1.00 0.27 -0.34 1.72 -1.24 -0.58 0.40 115.58 114.81 2k0f h ASN 49 Ca -0.03 0.03 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2k0f h ASN 49 Cb 0.44 -0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.38 2k0f h ASN 49 CO 0.06 0.11 -0.33 -0.08 -1.29 0.00 0.00 177.43 175.89 2k0f h GLU 50 N 0.27 -0.28 0.00 6.67 4.81 -1.41 -3.34 114.58 121.31 2k0f h GLU 50 Ca 0.45 0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 50 Cb 1.31 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.71 2k0f h GLU 50 CO -0.12 -0.18 -1.91 1.33 -0.73 0.00 0.00 179.01 177.39 2k0f n VAL 51 N -5.41 1.26 -1.96 0.32 0.24 -0.32 -4.86 118.33 107.60 2k0f n VAL 51 Ca 0.00 -0.76 -0.43 0.00 -2.04 0.00 0.00 64.34 61.11 2k0f n VAL 51 Cb 0.34 -0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 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 -5.63 6.34 -0.06 -1.34 2.15 0.13 -4.83 116.67 113.43 2k0f s ASP 52 Ca -0.06 1.96 -0.04 0.00 0.43 0.00 0.00 52.55 54.84 2k0f s ASP 52 Cb 0.08 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2k0f s ASP 52 CO 0.83 -1.23 -0.07 0.00 -0.17 0.00 0.00 175.17 174.53 2k0f h ALA 53 N 10.96 0.00 0.53 3.66 0.00 -1.89 -3.44 119.26 129.07 2k0f h ALA 53 Ca -0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 53 Cb 1.18 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2k0f h ALA 53 CO 0.98 0.20 -0.37 0.38 0.00 0.00 0.00 179.25 180.44 2k0f h ASP 54 N -0.47 -0.96 0.00 0.00 3.04 -1.96 -3.47 116.42 112.60 2k0f h ASP 54 Ca 0.00 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 2k0f h ASP 54 Cb 0.20 0.29 0.00 0.00 -1.04 0.00 0.00 39.33 38.79 2k0f h ASP 54 CO 0.00 -0.54 0.00 0.61 -2.04 0.00 0.00 179.24 177.27 2k0f n GLY 55 N -1.45 -0.22 0.18 7.15 0.00 -1.26 -5.04 105.19 104.55 2k0f n GLY 55 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.97 1.61 7.08 -1.94 -3.47 115.58 117.89 2k0f h ASN 56 Ca 0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 2k0f h ASN 56 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 2k0f h ASN 56 CO 0.00 0.13 -0.22 0.61 -2.08 0.00 0.00 177.43 175.87 2k0f n GLY 57 N 1.16 0.50 3.24 9.14 0.00 -1.26 -5.05 105.19 112.91 2k0f n GLY 57 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.43 1.36 -0.16 2.61 -4.23 -1.26 -4.66 115.64 106.86 2k0f s THR 58 Ca 0.00 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 58.61 2k0f s THR 58 Cb 0.00 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 2k0f s THR 58 CO 0.00 -0.39 0.58 -0.63 -0.54 0.00 0.00 174.62 173.64 2k0f s ILE 59 N -2.06 5.09 0.31 2.99 1.01 -0.44 -4.83 121.20 123.27 2k0f s ILE 59 Ca 0.09 1.11 0.06 0.00 0.00 0.00 0.00 60.65 61.91 2k0f s ILE 59 Cb -0.05 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2k0f s ILE 59 CO 0.03 0.20 0.45 -1.81 0.00 0.00 0.00 174.94 173.81 2k0f s ASP 60 N 0.99 6.06 0.27 3.58 1.11 -1.26 -1.51 116.67 125.91 2k0f s ASP 60 Ca 0.28 -0.09 -0.01 0.00 0.18 0.00 0.00 52.55 52.91 2k0f s ASP 60 Cb -0.16 -1.42 0.46 0.00 1.07 0.00 0.00 42.92 42.87 2k0f s ASP 60 CO 0.11 -0.35 1.86 0.15 1.18 0.00 0.00 175.17 178.13 2k0f h PHE 61 N 0.94 1.18 0.00 4.23 3.57 -1.97 -1.58 116.94 123.31 2k0f h PHE 61 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2k0f h PHE 61 Cb 1.25 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2k0f h PHE 61 CO 0.43 0.56 0.00 -2.30 -2.23 0.00 0.00 178.31 174.77 2k0f n PRO 62 N -4.55 0.00 -0.13 6.41 -0.02 -1.26 -0.71 135.00 134.75 2k0f n PRO 62 Ca 0.17 0.23 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 2k0f n PRO 62 Cb 0.24 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.11 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 -1.50 0.64 -0.13 -0.52 1.02 -0.85 -2.59 120.64 116.72 2k0f n GLU 63 Ca 0.04 0.18 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 2k0f n GLU 63 Cb 0.18 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.20 0.10 -0.15 -0.32 3.57 -1.29 -0.36 116.94 118.28 2k0f h PHE 64 Ca -0.60 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.85 2k0f h PHE 64 Cb 1.84 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.59 2k0f h PHE 64 CO 0.01 -0.01 -0.23 1.25 -2.23 0.00 0.00 178.31 177.10 2k0f h LEU 65 N 0.19 0.26 -0.52 0.59 5.85 -1.08 0.25 115.31 120.86 2k0f h LEU 65 Ca 0.21 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 2k0f h LEU 65 Cb 0.26 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2k0f h LEU 65 CO -0.29 0.51 -0.74 0.74 -0.34 0.00 0.00 178.44 178.32 2k0f h THR 66 N 0.25 1.52 0.18 1.05 2.02 -1.20 0.28 112.91 116.99 2k0f h THR 66 Ca 0.04 -2.49 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 2k0f h THR 66 Cb 0.55 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2k0f h THR 66 CO 0.04 0.71 -0.09 -0.03 0.37 0.00 0.00 175.52 176.53 2k0f h MET 67 N 0.02 -0.23 0.00 6.66 1.85 -0.80 -3.13 114.93 119.30 2k0f h MET 67 Ca -0.01 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 2k0f h MET 67 Cb 1.30 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.38 2k0f h MET 67 CO 0.10 0.19 -0.34 0.52 -0.40 0.00 0.00 176.91 176.97 2k0f h MET 68 N -0.85 0.00 -0.65 0.39 2.86 -0.52 -2.36 114.93 113.79 2k0f h MET 68 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 68 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2k0f h MET 68 CO 0.04 0.34 0.00 0.00 1.06 0.00 0.00 176.91 178.35 2k0f n ALA 69 N -2.29 3.55 -2.42 6.32 0.00 0.08 -4.78 120.51 120.97 2k0f n ALA 69 Ca -0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 53.44 51.48 2k0f n ALA 69 Cb 0.48 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.35 4.31 -0.24 0.00 3.52 -0.89 -5.01 118.95 118.29 2k0f s ARG 70 Ca 0.44 1.71 -0.18 0.00 -0.13 0.00 0.00 55.73 57.57 2k0f s ARG 70 Cb 0.33 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2k0f s ARG 70 CO 0.14 -0.53 0.52 0.21 -0.81 0.00 0.00 175.30 174.83 2k0f s LYS 71 N 2.60 4.11 0.66 5.12 2.20 -1.26 -5.03 119.74 128.13 2k0f s LYS 71 Ca 0.57 0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 56.47 2k0f s LYS 71 Cb -0.25 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.48 2k0f s LYS 71 CO 0.21 -0.30 0.98 -1.64 -0.36 0.00 0.00 175.35 174.24 2k0f s MET 72 N 2.13 2.51 0.73 4.03 -1.94 -1.26 -5.10 119.30 120.41 2k0f s MET 72 Ca 0.22 -0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 54.00 2k0f s MET 72 Cb -0.16 -2.19 0.04 0.00 2.01 0.00 0.00 34.83 34.54 2k0f s MET 72 CO 0.09 -1.03 1.10 -1.59 -0.01 0.00 0.00 175.02 173.58 2k0f s LYS 73 N -5.17 2.47 0.33 2.03 -2.85 -1.26 -4.89 119.74 110.40 2k0f s LYS 73 Ca 0.58 0.22 0.16 0.00 -1.00 0.00 0.00 55.97 55.92 2k0f s LYS 73 Cb -0.11 -2.03 0.50 0.00 -2.06 0.00 0.00 37.83 34.13 2k0f s LYS 73 CO 0.45 -1.23 1.66 -0.44 0.10 0.00 0.00 175.35 175.89 2k0f h ASP 74 N -0.75 0.00 0.38 0.03 5.19 -2.00 -1.54 116.42 117.73 2k0f h ASP 74 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2k0f h ASP 74 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2k0f h ASP 74 CO 0.64 0.47 0.00 0.35 -3.12 0.00 0.00 179.24 177.58 2k0f n THR 75 N -3.56 0.66 -0.09 0.35 -2.24 -1.26 -2.52 114.28 105.63 2k0f n THR 75 Ca -0.00 0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2k0f n THR 75 Cb 0.58 -0.90 -0.13 0.00 -2.10 0.00 0.00 70.33 67.77 2k0f n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0f n ASP 76 N -1.36 0.93 0.07 3.42 8.00 -0.61 -4.07 116.55 122.94 2k0f n ASP 76 Ca 0.06 -0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 2k0f n ASP 76 Cb 0.15 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 41.85 2k0f n ASP 76 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k0f h SER 77 N 0.00 0.44 -0.49 -2.24 0.02 -1.18 -1.78 113.55 108.32 2k0f h SER 77 Ca -0.49 -0.36 0.10 0.00 -0.84 0.00 0.00 61.79 60.19 2k0f h SER 77 Cb 2.04 -0.14 -0.10 0.00 0.14 0.00 0.00 62.40 64.35 2k0f h SER 77 CO 0.00 1.17 -0.17 -0.08 -1.14 0.00 0.00 176.83 176.62 2k0f h GLU 78 N 0.18 -0.05 0.00 3.45 4.81 -1.73 -2.21 114.58 119.04 2k0f h GLU 78 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 78 Cb 1.59 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.98 2k0f h GLU 78 CO 0.16 -0.03 0.00 0.39 -0.73 0.00 0.00 179.01 178.79 2k0f n GLU 79 N -5.38 0.18 0.03 1.92 -0.58 -0.90 -1.90 120.64 114.01 2k0f n GLU 79 Ca 0.04 0.28 -0.16 0.00 -0.42 0.00 0.00 57.16 56.90 2k0f n GLU 79 Cb 0.29 -1.76 -0.14 0.00 -0.57 0.00 0.00 31.44 29.26 2k0f n GLU 79 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2k0f h GLU 80 N 0.00 0.20 0.00 3.49 4.81 -1.01 -2.65 114.58 119.42 2k0f h GLU 80 Ca 0.00 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 80 Cb 0.50 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 80 CO 0.00 1.01 -0.26 0.97 -0.73 0.00 0.00 179.01 180.00 2k0f h ILE 81 N 0.05 0.51 0.26 2.32 6.09 -1.24 -3.23 117.51 122.26 2k0f h ILE 81 Ca -0.28 -1.43 -0.01 0.00 -1.37 0.00 0.00 64.86 61.76 2k0f h ILE 81 Cb 2.01 2.03 0.00 0.00 0.47 0.00 0.00 36.82 41.33 2k0f h ILE 81 CO 0.13 0.25 -0.12 -0.09 -3.07 0.00 0.00 178.15 175.25 2k0f h ARG 82 N 0.00 -0.33 -0.01 2.19 2.43 -1.43 -2.83 114.38 114.40 2k0f h ARG 82 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 82 Cb 1.01 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2k0f h ARG 82 CO 0.03 0.00 0.02 0.93 -1.51 0.00 0.00 179.97 179.45 2k0f h GLU 83 N -0.94 0.00 0.00 0.20 4.39 -1.61 -2.45 114.58 114.16 2k0f h GLU 83 Ca -0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2k0f h GLU 83 Cb 0.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2k0f h GLU 83 CO 0.06 0.00 -0.55 0.00 -1.16 0.00 0.00 179.01 177.36 2k0f h ALA 84 N 1.97 1.01 -0.51 3.43 0.00 -1.52 -2.99 119.26 120.65 2k0f h ALA 84 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 84 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k0f h ALA 84 CO -0.00 0.69 0.31 0.35 0.00 0.00 0.00 179.25 180.60 2k0f h PHE 85 N 0.00 0.68 -0.24 0.00 3.57 -1.34 -3.04 116.94 116.57 2k0f h PHE 85 Ca -0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 85 Cb 1.02 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2k0f h PHE 85 CO 0.00 0.47 0.22 -0.09 -2.23 0.00 0.00 178.31 176.68 2k0f h ARG 86 N 0.69 0.00 -0.18 1.11 2.43 -1.39 0.15 114.38 117.18 2k0f h ARG 86 Ca 0.18 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 86 Cb -0.01 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2k0f h ARG 86 CO -0.03 0.00 -0.64 0.28 -1.51 0.00 0.00 179.97 178.07 2k0f h VAL 87 N 0.00 1.31 0.11 0.20 2.07 -1.49 -3.33 116.25 115.11 2k0f h VAL 87 Ca 0.11 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 2k0f h VAL 87 Cb 0.55 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2k0f h VAL 87 CO -0.00 0.59 -0.05 -0.26 0.02 0.00 0.00 177.57 177.87 2k0f h PHE 88 N 0.48 -0.13 -2.50 1.57 0.04 -1.58 -3.45 116.94 111.36 2k0f h PHE 88 Ca -0.01 -0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.20 2k0f h PHE 88 Cb 1.22 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 2k0f h PHE 88 CO 0.06 0.05 1.19 0.34 -0.60 0.00 0.00 178.31 179.34 2k0f s ASP 89 N -5.47 6.40 -0.17 2.17 2.15 0.01 -4.71 116.67 117.05 2k0f s ASP 89 Ca -0.05 2.19 -0.07 0.00 0.43 0.00 0.00 52.55 55.05 2k0f s ASP 89 Cb -0.00 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 89 CO 0.17 -1.15 -0.21 1.17 -0.17 0.00 0.00 175.17 174.97 2k0f n LYS 90 N 7.55 0.37 0.34 4.34 3.00 -1.26 -4.28 118.16 128.21 2k0f n LYS 90 Ca 0.20 0.15 -0.18 0.00 -0.00 0.00 0.00 58.31 58.47 2k0f n LYS 90 Cb 0.43 -1.14 -0.10 0.00 0.00 0.00 0.00 35.03 34.22 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 91 N -0.53 -1.28 0.00 3.14 3.04 -1.95 -3.48 116.42 115.36 2k0f h ASP 91 Ca -0.43 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 2k0f h ASP 91 Cb 1.41 0.41 0.00 0.00 -1.04 0.00 0.00 39.33 40.11 2k0f h ASP 91 CO -0.23 -0.68 0.00 0.61 -2.04 0.00 0.00 179.24 176.90 2k0f n GLY 92 N -1.57 1.65 0.09 7.15 0.00 -1.26 -5.06 105.19 106.18 2k0f n GLY 92 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.85 0.00 1.61 6.94 -1.26 -4.96 115.26 118.44 2k0f n ASN 93 Ca 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 54.58 54.95 2k0f n ASN 93 Cb 0.00 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.48 1.30 2.78 4.83 0.00 -1.26 -5.10 105.19 109.23 2k0f n GLY 94 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 1.02 -0.16 1.61 2.02 -1.26 -3.97 117.35 114.61 2k0f s TYR 95 Ca 0.00 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.79 2k0f s TYR 95 Cb 0.00 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 2k0f s TYR 95 CO 0.00 -0.50 1.47 0.42 -1.57 0.00 0.00 175.55 175.37 2k0f s ILE 96 N 1.86 3.92 0.61 2.71 1.01 -0.36 -4.87 121.20 126.08 2k0f s ILE 96 Ca 0.02 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 2k0f s ILE 96 Cb -0.15 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.59 2k0f s ILE 96 CO -0.07 -0.19 0.87 -0.94 0.00 0.00 0.00 174.94 174.62 2k0f s SER 97 N 3.01 5.10 0.25 3.58 1.04 -1.26 -1.90 113.70 123.51 2k0f s SER 97 Ca 0.64 0.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 2k0f s SER 97 Cb -0.25 -0.98 0.28 0.00 0.10 0.00 0.00 66.02 65.16 2k0f s SER 97 CO 0.23 -1.32 1.79 0.00 0.98 0.00 0.00 173.24 174.92 2k0f h ALA 98 N -0.20 1.11 -0.27 5.32 0.00 -1.95 -3.02 119.26 120.25 2k0f h ALA 98 Ca -0.43 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 98 Cb 1.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2k0f h ALA 98 CO 0.56 0.60 0.06 0.00 0.00 0.00 0.00 179.25 180.46 2k0f h ALA 99 N 1.24 0.28 0.00 0.00 0.00 -1.98 -1.64 119.26 117.16 2k0f h ALA 99 Ca 0.20 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 99 Cb 0.31 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 99 CO -0.00 -0.36 -0.50 0.93 0.00 0.00 0.00 179.25 179.32 2k0f h GLU 100 N 0.16 0.00 0.21 0.00 5.08 -1.84 0.60 114.58 118.78 2k0f h GLU 100 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 100 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 100 CO -0.16 0.50 -0.10 1.25 -1.00 0.00 0.00 179.01 179.49 2k0f h LEU 101 N 0.00 -0.24 -0.71 1.33 5.85 -1.49 -3.35 115.31 116.70 2k0f h LEU 101 Ca -0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2k0f h LEU 101 Cb 0.88 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2k0f h LEU 101 CO 0.06 0.22 0.30 -0.09 -0.34 0.00 0.00 178.44 178.60 2k0f h ARG 102 N -1.07 0.48 0.28 1.25 2.43 -0.99 -2.29 114.38 114.47 2k0f h ARG 102 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2k0f h ARG 102 Cb 0.22 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2k0f h ARG 102 CO 0.05 0.31 -0.30 1.25 -1.51 0.00 0.00 179.97 179.77 2k0f h HIS 103 N 0.49 -0.83 -0.45 2.20 2.76 -1.09 -0.22 115.15 118.00 2k0f h HIS 103 Ca 0.37 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 2k0f h HIS 103 Cb 0.48 0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 2k0f h HIS 103 CO -0.15 -0.39 0.16 -0.24 -1.30 0.00 0.00 177.93 176.01 2k0f h VAL 104 N -0.58 1.18 -0.74 5.26 3.04 -1.64 -1.82 116.25 120.95 2k0f h VAL 104 Ca -0.04 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.06 2k0f h VAL 104 Cb 0.51 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.42 2k0f h VAL 104 CO -0.04 0.22 0.42 0.24 -1.01 0.00 0.00 177.57 177.40 2k0f h MET 105 N 0.65 1.00 0.00 4.17 2.07 -1.17 -1.34 114.93 120.31 2k0f h MET 105 Ca 0.15 -0.10 -0.10 0.00 -2.07 0.00 0.00 59.70 57.58 2k0f h MET 105 Cb 0.17 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 2k0f h MET 105 CO -0.01 0.72 -0.50 1.15 1.07 0.00 0.00 176.91 179.34 2k0f h THR 106 N 1.02 0.96 -0.28 2.22 2.02 -0.72 -1.29 112.91 116.84 2k0f h THR 106 Ca 0.26 -2.03 -0.13 0.00 0.77 0.00 0.00 66.41 65.28 2k0f h THR 106 Cb -0.01 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2k0f h THR 106 CO -0.05 0.49 -0.36 -1.13 0.37 0.00 0.00 175.52 174.84 2k0f h ASN 107 N 0.00 0.65 1.48 4.18 -0.73 -0.98 -3.08 115.58 117.10 2k0f h ASN 107 Ca -0.00 -0.28 -0.09 0.00 1.87 0.00 0.00 56.30 57.80 2k0f h ASN 107 Cb 1.20 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.60 2k0f h ASN 107 CO 0.06 0.95 -0.44 -0.07 -0.37 0.00 0.00 177.43 177.56 2k0f h LEU 108 N 0.52 0.00 -0.78 0.34 3.38 -0.91 -3.48 115.31 114.38 2k0f h LEU 108 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k0f h LEU 108 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2k0f h LEU 108 CO 0.07 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.66 2k0f n GLY 109 N 1.12 0.59 3.63 0.83 0.00 -0.57 -5.06 105.19 105.73 2k0f n GLY 109 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.13 3.23 -0.50 1.61 0.41 -0.69 -5.02 118.70 116.61 2k0f s GLU 110 Ca 0.00 -0.44 -0.03 0.00 -0.41 0.00 0.00 54.97 54.09 2k0f s GLU 110 Cb 0.00 -2.85 0.13 0.00 -1.78 0.00 0.00 34.13 29.63 2k0f s GLU 110 CO 0.00 0.55 2.57 1.63 -0.49 0.00 0.00 175.26 179.52 2k0f n LYS 111 N 2.61 2.40 -2.00 1.61 5.02 -1.26 -4.55 118.16 122.00 2k0f n LYS 111 Ca -0.18 -2.46 -0.42 0.00 -2.02 0.00 0.00 58.31 53.23 2k0f n LYS 111 Cb 0.53 -2.11 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.47 4.37 0.70 -0.35 1.02 -1.26 -5.03 118.68 115.67 2k0f s LEU 112 Ca 0.55 2.55 -0.05 0.00 0.02 0.00 0.00 54.13 57.21 2k0f s LEU 112 Cb 0.38 -3.60 0.08 0.00 0.02 0.00 0.00 46.19 43.08 2k0f s LEU 112 CO -0.22 -0.77 1.00 0.42 0.02 0.00 0.00 176.35 176.79 2k0f s THR 113 N 1.01 2.30 0.32 5.49 -4.23 -1.26 -4.91 115.64 114.35 2k0f s THR 113 Ca 0.68 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 2k0f s THR 113 Cb -0.42 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 113 CO 0.32 0.00 1.91 0.44 -0.54 0.00 0.00 174.62 176.75 2k0f h ASP 114 N -0.56 0.82 -0.61 3.99 3.32 -2.01 -0.59 116.42 120.78 2k0f h ASP 114 Ca -0.42 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.67 2k0f h ASP 114 Cb 1.30 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 2k0f h ASP 114 CO 0.53 0.51 0.37 -0.08 -1.72 0.00 0.00 179.24 178.85 2k0f h GLU 115 N 0.92 0.70 0.12 3.56 4.81 -2.00 -3.32 114.58 119.37 2k0f h GLU 115 Ca 0.39 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 115 Cb 0.30 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2k0f h GLU 115 CO -0.15 0.47 -1.10 1.49 -0.73 0.00 0.00 179.01 178.98 2k0f h GLU 116 N 0.72 0.25 -0.53 1.92 4.57 -1.48 -2.06 114.58 117.97 2k0f h GLU 116 Ca 0.25 -0.43 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2k0f h GLU 116 Cb 0.04 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2k0f h GLU 116 CO -0.11 1.21 0.32 -0.24 -1.18 0.00 0.00 179.01 179.01 2k0f h VAL 117 N -0.38 1.05 0.21 0.32 3.04 -1.65 0.24 116.25 119.08 2k0f h VAL 117 Ca -0.22 -0.22 0.01 0.00 -1.01 0.00 0.00 66.70 65.25 2k0f h VAL 117 Cb 1.67 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 2k0f h VAL 117 CO 0.09 0.12 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.74 2k0f h ASP 118 N 0.63 -0.66 -0.19 3.17 3.58 -1.64 -2.53 116.42 118.79 2k0f h ASP 118 Ca 0.22 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.77 2k0f h ASP 118 Cb 0.02 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2k0f h ASP 118 CO -0.10 -0.35 0.13 -0.33 -2.88 0.00 0.00 179.24 175.72 2k0f h GLU 119 N -0.50 0.05 -0.19 0.28 4.39 -0.99 -0.82 114.58 116.81 2k0f h GLU 119 Ca 0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k0f h GLU 119 Cb 0.48 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2k0f h GLU 119 CO -0.08 0.03 0.10 1.98 -1.16 0.00 0.00 179.01 179.89 2k0f h MET 120 N 0.05 0.21 -0.16 2.33 4.05 -0.40 0.25 114.93 121.26 2k0f h MET 120 Ca 0.09 -0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.32 2k0f h MET 120 Cb 0.28 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2k0f h MET 120 CO -0.01 0.14 -0.62 0.82 0.23 0.00 0.00 176.91 177.47 2k0f h ILE 121 N 0.22 1.33 -0.33 1.77 1.08 -1.14 -1.84 117.51 118.59 2k0f h ILE 121 Ca 0.07 -1.90 -0.01 0.00 -0.39 0.00 0.00 64.86 62.64 2k0f h ILE 121 Cb 0.00 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 2k0f h ILE 121 CO -0.04 0.59 0.16 -0.09 -0.69 0.00 0.00 178.15 178.08 2k0f h ARG 122 N 0.42 0.47 -0.41 2.37 2.43 -0.98 -0.33 114.38 118.35 2k0f h ARG 122 Ca -0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2k0f h ARG 122 Cb 1.19 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2k0f h ARG 122 CO 0.12 0.43 0.25 1.49 -1.51 0.00 0.00 179.97 180.75 2k0f h GLU 123 N 0.40 0.55 0.18 0.20 4.81 -0.37 -3.25 114.58 117.11 2k0f h GLU 123 Ca 0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 123 Cb 0.11 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 123 CO -0.01 0.39 -0.09 0.00 -0.73 0.00 0.00 179.01 178.57 2k0f h ALA 124 N 1.71 -0.25 -2.52 2.92 0.00 -0.88 -3.45 119.26 116.79 2k0f h ALA 124 Ca 0.15 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 124 Cb -0.02 0.10 0.06 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 124 CO -0.03 -0.34 0.97 -3.47 0.00 0.00 0.00 179.25 176.38 2k0f n ASP 125 N -4.96 3.76 -0.08 0.00 2.03 -0.18 -4.82 116.55 112.30 2k0f n ASP 125 Ca -0.08 1.06 -0.09 0.00 0.52 0.00 0.00 54.79 56.19 2k0f n ASP 125 Cb 0.26 -1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 39.10 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k0f n ILE 126 N 3.92 1.49 0.00 5.18 2.08 -1.26 -4.91 119.36 125.86 2k0f n ILE 126 Ca 0.17 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.61 2k0f n ILE 126 Cb 0.33 -2.29 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -4.40 0.00 0.00 4.38 5.68 -1.26 -4.98 116.55 115.97 2k0f n ASP 127 Ca -0.15 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 2k0f n ASP 127 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 0.72 0.00 0.01 6.12 0.00 -1.26 -5.05 105.19 105.73 2k0f n GLY 128 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.42 -0.48 1.61 5.75 -1.26 -5.02 116.55 118.57 2k0f n ASP 129 Ca 0.00 -0.17 -0.05 0.00 -0.01 0.00 0.00 54.79 54.56 2k0f n ASP 129 Cb 0.00 1.54 -0.01 0.00 -1.03 0.00 0.00 41.12 41.62 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 1.59 0.42 3.30 6.12 0.00 -1.26 -5.06 105.19 110.31 2k0f n GLY 130 Ca -0.02 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.45 1.35 -0.45 1.61 -0.21 -1.26 -4.86 119.66 112.38 2k0f s GLN 131 Ca 0.00 -1.12 -0.22 0.00 0.02 0.00 0.00 55.36 54.04 2k0f s GLN 131 Cb 0.00 -1.60 0.03 0.00 1.00 0.00 0.00 33.01 32.44 2k0f s GLN 131 CO 0.00 0.39 0.74 0.08 -2.12 0.00 0.00 175.29 174.38 2k0f s VAL 132 N -0.98 4.70 0.70 1.09 1.01 -0.80 -4.68 120.40 121.44 2k0f s VAL 132 Ca 0.09 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.38 2k0f s VAL 132 Cb -0.10 -4.29 0.13 0.00 0.00 0.00 0.00 36.38 32.12 2k0f s VAL 132 CO 0.03 -0.70 0.97 0.54 0.00 0.00 0.00 175.10 175.94 2k0f s ASN 133 N 2.13 4.43 0.19 3.32 2.20 -1.26 -1.22 114.94 124.73 2k0f s ASN 133 Ca 0.27 -0.54 -0.12 0.00 -0.94 0.00 0.00 52.86 51.54 2k0f s ASN 133 Cb -0.13 0.17 0.21 0.00 -2.00 0.00 0.00 41.25 39.50 2k0f s ASN 133 CO 0.21 -1.81 1.75 0.22 -2.94 0.00 0.00 177.10 174.52 2k0f h TYR 134 N -0.41 0.34 -0.82 1.54 3.20 -1.98 -1.81 116.97 117.02 2k0f h TYR 134 Ca -0.34 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.65 2k0f h TYR 134 Cb 1.27 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 2k0f h TYR 134 CO -0.10 0.10 0.53 0.93 -1.64 0.00 0.00 178.16 177.98 2k0f h GLU 135 N 0.37 0.78 0.00 1.82 4.39 -1.95 -2.32 114.58 117.67 2k0f h GLU 135 Ca 0.26 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2k0f h GLU 135 Cb 0.30 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2k0f h GLU 135 CO -0.27 0.51 -0.16 0.93 -1.16 0.00 0.00 179.01 178.87 2k0f h GLU 136 N 0.80 0.00 0.18 2.33 5.08 -1.67 -1.93 114.58 119.37 2k0f h GLU 136 Ca 0.37 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 136 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 136 CO -0.15 0.16 -1.58 0.35 -1.00 0.00 0.00 179.01 176.79 2k0f h PHE 137 N 0.00 0.69 -0.19 4.33 3.57 -1.31 -2.96 116.94 121.07 2k0f h PHE 137 Ca -0.00 -0.50 -0.14 0.00 3.53 0.00 0.00 57.97 60.86 2k0f h PHE 137 Cb 0.80 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2k0f h PHE 137 CO 0.00 1.61 -0.47 0.28 -2.23 0.00 0.00 178.31 177.51 2k0f h VAL 138 N -0.01 1.32 0.36 1.41 2.07 -1.32 -3.16 116.25 116.91 2k0f h VAL 138 Ca -0.31 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 2k0f h VAL 138 Cb 2.00 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2k0f h VAL 138 CO 0.16 0.52 -0.17 -0.61 0.02 0.00 0.00 177.57 177.49 2k0f h GLN 139 N 0.38 -0.46 0.00 1.57 5.75 -1.41 -2.90 115.11 118.05 2k0f h GLN 139 Ca 0.02 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2k0f h GLN 139 Cb 0.97 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2k0f h GLN 139 CO 0.08 -0.24 0.00 0.00 -2.65 0.00 0.00 178.83 176.03 2k0f n MET 140 N -5.25 0.12 -0.09 1.69 0.00 -1.12 -2.63 117.12 109.85 2k0f n MET 140 Ca -0.10 0.19 0.12 0.00 0.00 0.00 0.00 57.70 57.90 2k0f n MET 140 Cb 0.24 -1.67 0.21 0.00 0.00 0.00 0.00 33.22 32.00 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 -1.89 2.29 0.00 3.17 2.81 -1.14 -5.10 117.12 117.27 2k0f n MET 141 Ca 0.05 -1.92 0.11 0.00 -1.81 0.00 0.00 57.70 54.13 2k0f n MET 141 Cb 0.32 -1.48 0.66 0.00 -0.71 0.00 0.00 33.22 32.02 2k0f n MET 141 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11