#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 -0.02 -0.78 4.39 -2.05 -2.13 114.58 113.99 2k0f h GLU 2 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k0f h GLU 2 CO 0.00 0.08 -0.25 0.39 -1.16 0.00 0.00 179.01 178.07 2k0f n GLU 3 N -3.31 1.67 -0.13 2.33 -0.58 -1.26 -0.69 120.64 118.68 2k0f n GLU 3 Ca -0.01 -1.35 -0.20 0.00 -0.42 0.00 0.00 57.16 55.18 2k0f n GLU 3 Cb 0.28 -1.43 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 2k0f n GLU 3 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2k0f n GLN 4 N 0.54 0.61 -0.27 3.49 7.27 -1.09 -4.31 117.38 123.61 2k0f n GLN 4 Ca 0.11 0.17 0.08 0.00 0.07 0.00 0.00 57.00 57.43 2k0f n GLN 4 Cb 0.50 -1.49 0.20 0.00 2.41 0.00 0.00 30.24 31.86 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2k0f h ILE 5 N -0.26 0.38 -0.87 1.69 1.08 -1.29 -2.39 117.51 115.84 2k0f h ILE 5 Ca -0.59 -0.06 0.23 0.00 -0.39 0.00 0.00 64.86 64.05 2k0f h ILE 5 Cb 1.80 0.18 -0.14 0.00 -3.07 0.00 0.00 36.82 35.59 2k0f h ILE 5 CO -0.17 0.03 0.22 0.00 -0.69 0.00 0.00 178.15 177.54 2k0f h ALA 6 N 1.70 1.25 -0.05 1.87 0.00 -1.10 0.97 119.26 123.91 2k0f h ALA 6 Ca 0.45 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.55 2k0f h ALA 6 Cb 0.83 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 6 CO -0.62 -0.47 -0.15 0.93 0.00 0.00 0.00 179.25 178.94 2k0f h GLU 7 N 0.20 0.08 0.08 0.00 5.08 -1.62 -0.31 114.58 118.10 2k0f h GLU 7 Ca 0.55 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 7 Cb 1.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2k0f h GLU 7 CO -0.66 0.23 -2.10 1.19 -1.00 0.00 0.00 179.01 176.67 2k0f n PHE 8 N -4.33 0.90 -0.27 4.33 3.72 -0.32 -3.63 117.46 117.85 2k0f n PHE 8 Ca -0.02 0.20 -0.06 0.00 -0.05 0.00 0.00 57.45 57.52 2k0f n PHE 8 Cb 0.24 -1.12 0.06 0.00 -0.94 0.00 0.00 39.48 37.72 2k0f n PHE 8 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2k0f h LYS 9 N -0.03 1.11 0.00 -1.08 3.64 -0.66 0.40 116.57 119.96 2k0f h LYS 9 Ca -0.47 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 58.66 2k0f h LYS 9 Cb 1.95 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 2k0f h LYS 9 CO 0.02 0.90 -0.29 1.49 -2.27 0.00 0.00 179.45 179.29 2k0f h GLU 10 N 1.08 0.00 0.02 1.90 4.81 -1.25 -2.59 114.58 118.55 2k0f h GLU 10 Ca 0.25 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 10 Cb 0.18 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.58 2k0f h GLU 10 CO -0.02 0.29 -0.86 0.00 -0.73 0.00 0.00 179.01 177.69 2k0f h ALA 11 N 1.71 0.08 -0.90 2.92 0.00 -1.54 -1.58 119.26 119.94 2k0f h ALA 11 Ca -0.00 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 11 Cb 0.60 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 11 CO 0.04 0.52 0.59 0.35 0.00 0.00 0.00 179.25 180.75 2k0f h PHE 12 N 0.13 1.09 0.00 0.00 3.57 -0.95 -1.57 116.94 119.21 2k0f h PHE 12 Ca -0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 12 Cb 1.55 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2k0f h PHE 12 CO 0.13 0.64 -0.17 0.77 -2.23 0.00 0.00 178.31 177.45 2k0f h SER 13 N 1.14 0.00 -0.37 0.41 0.02 -1.43 -1.74 113.55 111.59 2k0f h SER 13 Ca 0.35 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 13 Cb -0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2k0f h SER 13 CO -0.10 0.17 -0.37 0.25 -1.14 0.00 0.00 176.83 175.64 2k0f h LEU 14 N 0.00 0.97 -0.26 5.07 5.85 -0.36 -3.30 115.31 123.28 2k0f h LEU 14 Ca -0.00 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 2k0f h LEU 14 Cb 0.37 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2k0f h LEU 14 CO 0.02 1.23 -0.29 -0.26 -0.34 0.00 0.00 178.44 178.80 2k0f h PHE 15 N 0.75 0.78 -3.06 1.25 0.04 -1.24 -3.41 116.94 112.06 2k0f h PHE 15 Ca 0.07 -0.24 -0.57 0.00 2.80 0.00 0.00 57.97 60.02 2k0f h PHE 15 Cb 0.95 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.90 2k0f h PHE 15 CO 0.06 0.98 1.07 0.34 -0.60 0.00 0.00 178.31 180.15 2k0f s ASP 16 N -6.51 6.43 0.37 2.17 -1.08 -0.66 -4.75 116.67 112.63 2k0f s ASP 16 Ca -0.13 1.18 0.07 0.00 -0.52 0.00 0.00 52.55 53.16 2k0f s ASP 16 Cb 0.08 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.72 2k0f s ASP 16 CO 0.82 -1.29 1.91 0.50 0.52 0.00 0.00 175.17 177.63 2k0f h LYS 17 N 10.39 0.39 0.00 4.34 3.64 -1.84 -3.26 116.57 130.22 2k0f h LYS 17 Ca -0.29 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2k0f h LYS 17 Cb 1.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2k0f h LYS 17 CO 1.04 0.45 -0.04 -0.44 -2.27 0.00 0.00 179.45 178.19 2k0f h ASP 18 N 0.37 0.00 -1.57 4.20 3.32 -1.94 -3.49 116.42 117.31 2k0f h ASP 18 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2k0f h ASP 18 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2k0f h ASP 18 CO 0.01 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.31 2k0f n GLY 19 N 1.87 0.61 0.00 2.75 0.00 -1.23 -5.08 105.19 104.11 2k0f n GLY 19 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.79 0.07 0.00 1.61 5.68 -1.26 -5.06 116.55 116.80 2k0f n ASP 20 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2k0f n ASP 20 Cb 0.34 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 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 1.63 0.03 3.00 6.12 0.00 -1.26 -5.15 105.19 109.56 2k0f n GLY 21 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.48 0.00 2.61 -4.23 -1.26 -4.56 115.64 108.68 2k0f s THR 22 Ca 0.00 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 2k0f s THR 22 Cb 0.00 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 2k0f s THR 22 CO 0.00 -0.08 0.16 -0.63 -0.54 0.00 0.00 174.62 173.52 2k0f s ILE 23 N -0.64 5.23 0.45 2.99 1.01 -1.13 -4.95 121.20 124.16 2k0f s ILE 23 Ca -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2k0f s ILE 23 Cb -0.05 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2k0f s ILE 23 CO 0.00 0.31 0.06 0.42 0.00 0.00 0.00 174.94 175.73 2k0f s THR 24 N -1.31 1.00 0.30 2.92 -4.23 -1.26 -3.34 115.64 109.73 2k0f s THR 24 Ca 0.27 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 2k0f s THR 24 Cb -0.12 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.49 2k0f s THR 24 CO 0.18 0.00 1.81 0.71 -0.54 0.00 0.00 174.62 176.78 2k0f h THR 25 N 1.62 1.22 -0.19 3.99 1.35 -1.93 -2.52 112.91 116.45 2k0f h THR 25 Ca -0.40 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2k0f h THR 25 Cb 1.29 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2k0f h THR 25 CO 0.67 0.32 0.11 0.11 -0.25 0.00 0.00 175.52 176.48 2k0f h LYS 26 N 0.56 0.27 -0.11 4.72 1.79 -1.99 -0.18 116.57 121.63 2k0f h LYS 26 Ca 0.11 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.41 2k0f h LYS 26 Cb 0.43 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2k0f h LYS 26 CO 0.02 0.25 -0.57 0.93 -1.08 0.00 0.00 179.45 179.00 2k0f h GLU 27 N 0.21 0.33 0.06 3.15 5.08 -1.88 -3.29 114.58 118.24 2k0f h GLU 27 Ca 0.07 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 27 Cb 0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 27 CO -0.01 0.81 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.71 2k0f h LEU 28 N 0.25 -0.07 -0.83 1.33 3.38 -1.30 -3.37 115.31 114.69 2k0f h LEU 28 Ca -0.00 -0.52 0.20 0.00 0.09 0.00 0.00 57.88 57.65 2k0f h LEU 28 Cb 1.07 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 2k0f h LEU 28 CO 0.09 0.53 0.27 1.23 0.09 0.00 0.00 178.44 180.65 2k0f h GLY 29 N -0.71 1.29 0.89 0.83 0.00 -1.10 -1.35 103.07 102.92 2k0f h GLY 29 Ca -0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 2k0f h GLY 29 CO 0.01 -0.26 -0.50 -0.91 0.00 0.00 0.00 176.54 174.88 2k0f h THR 30 N 0.31 1.36 -0.30 4.70 1.35 -1.76 -0.91 112.91 117.65 2k0f h THR 30 Ca 0.50 -1.82 0.06 0.00 -0.55 0.00 0.00 66.41 64.61 2k0f h THR 30 Cb 0.93 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.45 2k0f h THR 30 CO -0.55 0.55 -0.10 0.58 -0.25 0.00 0.00 175.52 175.74 2k0f h VAL 31 N 0.15 0.63 0.14 6.82 2.07 -1.44 -1.01 116.25 123.61 2k0f h VAL 31 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2k0f h VAL 31 Cb 1.15 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2k0f h VAL 31 CO 0.11 0.00 -0.40 0.24 0.02 0.00 0.00 177.57 177.54 2k0f h MET 32 N -0.04 -0.62 -0.10 1.57 2.86 -1.06 -0.74 114.93 116.79 2k0f h MET 32 Ca 0.15 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2k0f h MET 32 Cb 0.27 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k0f h MET 32 CO -0.34 -0.41 0.12 0.00 1.06 0.00 0.00 176.91 177.34 2k0f h ARG 33 N -0.64 0.00 0.00 1.72 3.08 -0.73 0.15 114.38 117.96 2k0f h ARG 33 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2k0f h ARG 33 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2k0f h ARG 33 CO -0.22 0.00 -0.80 0.77 -1.07 0.00 0.00 179.97 178.65 2k0f h SER 34 N 0.00 0.00 0.00 7.04 0.02 -0.78 -3.33 113.55 116.50 2k0f h SER 34 Ca 0.05 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 34 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k0f h SER 34 CO -0.00 0.02 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 2k0f n LEU 35 N -2.64 0.49 0.00 5.07 4.77 -0.32 -4.88 117.00 119.48 2k0f n LEU 35 Ca 0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2k0f n LEU 35 Cb 0.53 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k0f n LEU 35 CO 0.39 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2k0f n GLY 36 N 1.64 0.00 3.00 -0.72 0.00 -0.34 -5.10 105.19 103.67 2k0f n GLY 36 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.21 -0.58 1.61 -1.52 0.38 -4.95 119.66 115.81 2k0f s GLN 37 Ca 0.00 -0.32 0.04 0.00 -1.95 0.00 0.00 55.36 53.13 2k0f s GLN 37 Cb 0.00 -1.08 0.16 0.00 -0.22 0.00 0.00 33.01 31.87 2k0f s GLN 37 CO 0.00 0.07 0.41 -0.80 -0.25 0.00 0.00 175.29 174.72 2k0f s ASN 38 N 0.43 3.71 0.85 5.90 0.01 -1.26 -2.27 114.94 122.31 2k0f s ASN 38 Ca -0.08 -3.44 -0.09 0.00 -0.71 0.00 0.00 52.86 48.54 2k0f s ASN 38 Cb -0.12 -1.23 0.16 0.00 0.41 0.00 0.00 41.25 40.48 2k0f s ASN 38 CO 0.01 -0.14 1.16 -2.16 -1.51 0.00 0.00 177.10 174.47 2k0f s PRO 39 N -0.75 1.15 0.42 -0.60 0.04 -1.26 -5.13 135.00 128.86 2k0f s PRO 39 Ca 0.26 -0.75 0.08 0.00 0.04 0.00 0.00 61.00 60.63 2k0f s PRO 39 Cb -0.06 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2k0f s PRO 39 CO -0.15 -1.95 0.55 0.95 0.04 0.00 0.00 177.00 176.45 2k0f s THR 40 N -3.53 2.92 0.07 1.26 -4.23 -1.26 -4.99 115.64 105.87 2k0f s THR 40 Ca 0.70 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 2k0f s THR 40 Cb -0.05 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.72 2k0f s THR 40 CO 0.49 0.00 1.47 -0.08 -0.54 0.00 0.00 174.62 175.96 2k0f h GLU 41 N 0.69 0.38 -0.91 3.99 4.81 -1.98 -0.62 114.58 120.94 2k0f h GLU 41 Ca -0.40 -0.14 0.26 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 41 Cb 1.28 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.48 2k0f h GLU 41 CO 0.47 0.62 0.28 0.00 -0.73 0.00 0.00 179.01 179.65 2k0f h ALA 42 N 0.75 1.41 0.03 2.92 0.00 -1.98 0.20 119.26 122.59 2k0f h ALA 42 Ca 0.05 0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 42 Cb 0.47 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2k0f h ALA 42 CO 0.02 -0.52 -1.28 0.93 0.00 0.00 0.00 179.25 178.41 2k0f h GLU 43 N 0.20 0.06 -0.06 0.00 5.08 -1.92 -3.07 114.58 114.88 2k0f h GLU 43 Ca 0.60 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 43 Cb 1.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2k0f h GLU 43 CO -0.68 0.91 -0.44 1.25 -1.00 0.00 0.00 179.01 179.05 2k0f h LEU 44 N 0.02 0.14 -1.53 1.33 5.85 0.20 -0.70 115.31 120.61 2k0f h LEU 44 Ca -0.12 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2k0f h LEU 44 Cb 1.88 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 2k0f h LEU 44 CO 0.13 0.57 -0.18 -0.61 -0.34 0.00 0.00 178.44 178.01 2k0f h GLN 45 N 0.11 0.08 0.01 1.25 4.15 -0.76 -1.07 115.11 118.87 2k0f h GLN 45 Ca 0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2k0f h GLN 45 Cb 0.83 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2k0f h GLN 45 CO 0.06 0.26 -0.09 0.22 -1.93 0.00 0.00 178.83 177.36 2k0f h ASP 46 N 0.07 0.06 -1.01 -0.69 1.82 -1.38 -1.20 116.42 114.10 2k0f h ASP 46 Ca 0.01 -0.86 0.25 0.00 -0.39 0.00 0.00 57.03 56.04 2k0f h ASP 46 Cb 0.36 -0.02 -0.08 0.00 0.68 0.00 0.00 39.33 40.27 2k0f h ASP 46 CO 0.02 0.91 0.65 0.24 -1.61 0.00 0.00 179.24 179.46 2k0f h MET 47 N -0.78 0.39 -0.01 0.28 2.86 -1.02 -0.81 114.93 115.85 2k0f h MET 47 Ca -0.01 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2k0f h MET 47 Cb 0.93 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2k0f h MET 47 CO 0.02 0.26 -0.09 0.82 1.06 0.00 0.00 176.91 178.98 2k0f h ILE 48 N 0.40 1.56 -0.45 -1.22 2.04 -1.18 -3.36 117.51 115.30 2k0f h ILE 48 Ca 0.56 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.67 2k0f h ILE 48 Cb 1.41 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 40.17 2k0f h ILE 48 CO -0.25 0.47 0.30 -1.13 0.00 0.00 0.00 178.15 177.53 2k0f h ASN 49 N -0.62 0.49 -0.62 1.72 -1.24 0.13 -0.84 115.58 114.61 2k0f h ASN 49 Ca -0.01 -0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.14 2k0f h ASN 49 Cb 0.81 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 2k0f h ASN 49 CO 0.02 0.35 0.43 -0.33 -1.29 0.00 0.00 177.43 176.61 2k0f h GLU 50 N 0.58 0.20 0.00 6.67 5.08 -1.61 -2.35 114.58 123.14 2k0f h GLU 50 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 50 Cb -0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 50 CO -0.04 0.13 -1.20 0.28 -1.00 0.00 0.00 179.01 177.18 2k0f n VAL 51 N -4.43 0.13 -2.30 3.13 0.31 -0.37 -4.92 118.33 109.88 2k0f n VAL 51 Ca 0.12 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 2k0f n VAL 51 Cb 0.55 0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 33.73 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0f s ASP 52 N -3.94 6.92 -0.18 4.52 2.15 -0.87 -4.81 116.67 120.47 2k0f s ASP 52 Ca 0.02 2.04 -0.16 0.00 0.43 0.00 0.00 52.55 54.88 2k0f s ASP 52 Cb 0.14 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 40.14 2k0f s ASP 52 CO 0.83 -0.66 -0.33 0.00 -0.17 0.00 0.00 175.17 174.85 2k0f n ALA 53 N 5.11 1.08 0.42 3.66 0.00 -1.26 -4.77 120.51 124.75 2k0f n ALA 53 Ca 0.12 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.57 2k0f n ALA 53 Cb 0.44 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.93 -0.90 0.00 0.00 3.04 -1.94 -3.49 116.42 112.20 2k0f h ASP 54 Ca -0.10 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2k0f h ASP 54 Cb 1.03 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 2k0f h ASP 54 CO -0.06 -0.61 0.00 0.61 -2.04 0.00 0.00 179.24 177.14 2k0f n GLY 55 N -1.36 -0.58 0.18 7.15 0.00 -1.26 -5.02 105.19 104.30 2k0f n GLY 55 Ca -0.14 0.00 0.13 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 0.00 1.61 7.08 -1.98 -3.48 115.58 118.82 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 0.75 0.56 3.33 9.14 0.00 -1.26 -5.04 105.19 112.68 2k0f n GLY 57 Ca 0.03 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.87 -0.53 2.61 -4.23 -1.26 -4.79 115.64 107.31 2k0f s THR 58 Ca 0.00 -1.84 -0.28 0.00 -1.18 0.00 0.00 61.69 58.39 2k0f s THR 58 Cb 0.00 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.05 2k0f s THR 58 CO 0.00 -0.22 1.24 -0.51 -0.54 0.00 0.00 174.62 174.59 2k0f s ILE 59 N -1.77 4.01 0.57 2.99 2.07 -1.21 -4.83 121.20 123.04 2k0f s ILE 59 Ca 0.14 0.95 -0.07 0.00 -1.41 0.00 0.00 60.65 60.26 2k0f s ILE 59 Cb -0.07 -4.59 -0.02 0.00 0.13 0.00 0.00 42.46 37.91 2k0f s ILE 59 CO 0.06 -1.16 0.91 -1.81 -1.91 0.00 0.00 174.94 171.03 2k0f s ASP 60 N 3.18 5.94 0.12 4.50 1.11 -1.26 -2.83 116.67 127.42 2k0f s ASP 60 Ca 0.48 0.98 -0.30 0.00 0.18 0.00 0.00 52.55 53.89 2k0f s ASP 60 Cb -0.09 -2.08 -0.08 0.00 1.07 0.00 0.00 42.92 41.75 2k0f s ASP 60 CO 0.28 -0.89 1.59 0.15 1.18 0.00 0.00 175.17 177.48 2k0f h PHE 61 N -0.12 -1.13 0.00 4.23 3.57 -1.96 -1.68 116.94 119.86 2k0f h PHE 61 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.22 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 40.45 2k0f h PHE 61 CO 0.55 -0.49 -0.04 -1.35 -2.23 0.00 0.00 178.31 174.76 2k0f h PRO 62 N -0.59 0.00 -0.10 6.41 0.11 -1.98 0.45 132.00 136.31 2k0f h PRO 62 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2k0f h PRO 62 Cb 0.65 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 2k0f h PRO 62 CO -0.28 0.04 0.03 0.93 -0.21 0.00 0.00 178.00 178.51 2k0f h GLU 63 N 0.00 0.15 -0.60 1.05 5.08 -1.75 -1.64 114.58 116.87 2k0f h GLU 63 Ca -0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 63 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 63 CO 0.00 0.31 0.01 0.35 -1.00 0.00 0.00 179.01 178.69 2k0f h PHE 64 N -0.03 1.14 -0.09 4.33 3.57 -0.83 -1.46 116.94 123.57 2k0f h PHE 64 Ca 0.03 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 64 Cb 0.23 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2k0f h PHE 64 CO -0.00 1.00 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.95 2k0f h LEU 65 N 0.96 -0.20 -0.34 0.59 3.38 -0.95 -0.92 115.31 117.83 2k0f h LEU 65 Ca 0.17 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2k0f h LEU 65 Cb 0.54 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 65 CO 0.03 -0.09 -0.47 0.74 0.09 0.00 0.00 178.44 178.75 2k0f h THR 66 N -0.07 0.08 -0.32 0.22 2.02 -1.07 -0.66 112.91 113.12 2k0f h THR 66 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 2k0f h THR 66 Cb 0.15 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.57 2k0f h THR 66 CO -0.13 0.00 -0.19 -0.03 0.37 0.00 0.00 175.52 175.54 2k0f h MET 67 N -0.39 -0.14 0.00 6.66 1.85 -1.20 -2.14 114.93 119.57 2k0f h MET 67 Ca 0.11 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2k0f h MET 67 Cb 0.60 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.66 2k0f h MET 67 CO -0.54 -0.09 -0.12 0.52 -0.40 0.00 0.00 176.91 176.28 2k0f h MET 68 N -0.15 0.00 0.07 0.39 2.07 -0.77 -3.19 114.93 113.36 2k0f h MET 68 Ca 0.17 0.00 -0.31 0.00 -2.07 0.00 0.00 59.70 57.48 2k0f h MET 68 Cb 0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.10 2k0f h MET 68 CO -0.41 0.12 -1.70 0.00 1.07 0.00 0.00 176.91 175.98 2k0f h ALA 69 N 1.88 0.52 -2.60 6.32 0.00 -0.86 -3.47 119.26 121.06 2k0f h ALA 69 Ca -0.00 -1.32 -0.52 0.00 0.00 0.00 0.00 54.91 53.06 2k0f h ALA 69 Cb 0.53 0.46 0.05 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 69 CO 0.02 1.37 1.00 0.50 0.00 0.00 0.00 179.25 182.14 2k0f s ARG 70 N -2.60 4.16 -0.52 0.00 3.52 -0.83 -4.97 118.95 117.71 2k0f s ARG 70 Ca -0.10 2.52 -0.23 0.00 -0.13 0.00 0.00 55.73 57.79 2k0f s ARG 70 Cb 0.07 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2k0f s ARG 70 CO 0.82 -0.74 0.85 0.15 -0.81 0.00 0.00 175.30 175.57 2k0f s LYS 71 N 1.63 3.31 0.95 5.12 1.02 -1.26 -5.02 119.74 125.49 2k0f s LYS 71 Ca 0.75 -0.34 -0.14 0.00 0.02 0.00 0.00 55.97 56.26 2k0f s LYS 71 Cb -0.47 -4.03 0.16 0.00 -0.52 0.00 0.00 37.83 32.97 2k0f s LYS 71 CO 0.33 -1.36 1.19 -1.64 -0.92 0.00 0.00 175.35 172.95 2k0f s MET 72 N 3.56 0.83 0.37 1.68 -1.94 -1.26 -5.09 119.30 117.46 2k0f s MET 72 Ca 0.28 0.02 -0.17 0.00 -1.71 0.00 0.00 55.69 54.10 2k0f s MET 72 Cb -0.14 -1.83 -0.10 0.00 2.01 0.00 0.00 34.83 34.78 2k0f s MET 72 CO 0.19 -2.35 0.82 -1.59 -0.01 0.00 0.00 175.02 172.08 2k0f s LYS 73 N -5.52 4.08 0.00 2.03 -2.85 -1.26 -4.68 119.74 111.54 2k0f s LYS 73 Ca 0.67 0.84 0.00 0.00 -1.00 0.00 0.00 55.97 56.48 2k0f s LYS 73 Cb -0.10 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.34 2k0f s LYS 73 CO 0.53 0.07 1.41 -0.25 0.10 0.00 0.00 175.35 177.21 2k0f n ASP 74 N -0.52 3.88 0.00 0.03 8.00 -1.26 -0.44 116.55 126.24 2k0f n ASP 74 Ca 0.05 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.51 2k0f n ASP 74 Cb 0.53 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N 1.23 0.00 -0.36 -3.53 -2.24 -1.26 -4.49 114.28 103.62 2k0f n THR 75 Ca 0.00 0.09 0.29 0.00 -2.27 0.00 0.00 64.05 62.16 2k0f n THR 75 Cb 0.43 -1.03 0.55 0.00 -2.10 0.00 0.00 70.33 68.18 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N 0.00 0.40 1.03 3.42 3.32 -1.84 0.19 116.42 122.94 2k0f h ASP 76 Ca 0.00 0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 76 Cb 0.00 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2k0f h ASP 76 CO 0.00 -0.19 -0.51 -1.28 -1.72 0.00 0.00 179.24 175.54 2k0f h SER 77 N 0.20 0.00 0.13 6.45 0.87 -1.03 -0.68 113.55 119.49 2k0f h SER 77 Ca 0.77 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.97 2k0f h SER 77 Cb 2.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 2k0f h SER 77 CO -0.56 0.51 -1.97 -0.08 -0.53 0.00 0.00 176.83 174.21 2k0f h GLU 78 N 0.00 0.27 -0.98 2.24 4.81 -1.42 -3.36 114.58 116.15 2k0f h GLU 78 Ca -0.01 -0.47 0.16 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 78 Cb 1.17 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.62 2k0f h GLU 78 CO 0.07 1.22 0.58 1.49 -0.73 0.00 0.00 179.01 181.64 2k0f h GLU 79 N 0.06 0.78 0.00 1.92 4.81 -0.57 0.23 114.58 121.80 2k0f h GLU 79 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 79 Cb 2.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.23 2k0f h GLU 79 CO 0.09 0.52 0.00 1.05 -0.73 0.00 0.00 179.01 179.94 2k0f h GLU 80 N 0.80 0.00 0.00 1.92 4.11 -1.26 0.16 114.58 120.32 2k0f h GLU 80 Ca 0.54 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.61 2k0f h GLU 80 Cb 0.74 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 2k0f h GLU 80 CO -0.35 0.00 -2.28 -0.89 0.07 0.00 0.00 179.01 175.56 2k0f n ILE 81 N -3.00 1.45 -0.35 -1.06 5.41 -0.81 -3.39 119.36 117.61 2k0f n ILE 81 Ca -0.00 -0.81 -0.01 0.00 1.00 0.00 0.00 62.75 62.93 2k0f n ILE 81 Cb 0.22 -0.69 0.13 0.00 -0.71 0.00 0.00 39.64 38.59 2k0f n ILE 81 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2k0f h ARG 82 N 0.00 1.14 -0.43 0.38 2.43 0.08 -2.64 114.38 115.34 2k0f h ARG 82 Ca -0.51 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.47 2k0f h ARG 82 Cb 2.17 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 2k0f h ARG 82 CO 0.03 0.76 -0.22 0.93 -1.51 0.00 0.00 179.97 179.96 2k0f h GLU 83 N 1.18 0.86 -0.17 0.20 4.39 -0.89 -3.28 114.58 116.86 2k0f h GLU 83 Ca 0.37 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 83 Cb 0.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2k0f h GLU 83 CO -0.12 0.99 -0.25 0.00 -1.16 0.00 0.00 179.01 178.47 2k0f h ALA 84 N 1.00 1.26 -0.76 3.43 0.00 -1.49 -1.43 119.26 121.27 2k0f h ALA 84 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 84 Cb 0.75 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 84 CO 0.06 0.49 0.47 0.35 0.00 0.00 0.00 179.25 180.62 2k0f h PHE 85 N 0.28 0.88 -0.11 0.00 3.57 -1.55 -2.14 116.94 117.87 2k0f h PHE 85 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 85 Cb 0.60 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2k0f h PHE 85 CO 0.01 0.48 0.09 0.00 -2.23 0.00 0.00 178.31 176.67 2k0f h ARG 86 N 0.90 0.00 0.02 1.11 3.08 -1.33 -1.11 114.38 117.04 2k0f h ARG 86 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2k0f h ARG 86 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k0f h ARG 86 CO -0.13 0.00 -0.12 0.28 -1.07 0.00 0.00 179.97 178.93 2k0f h VAL 87 N 0.00 1.72 -0.70 2.04 2.07 -1.37 -3.32 116.25 116.69 2k0f h VAL 87 Ca 0.05 -2.26 -0.05 0.00 0.82 0.00 0.00 66.70 65.26 2k0f h VAL 87 Cb 0.23 3.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 2k0f h VAL 87 CO -0.00 0.60 0.23 -0.26 0.02 0.00 0.00 177.57 178.16 2k0f h PHE 88 N -0.85 1.09 -2.74 1.57 0.04 -1.52 -3.39 116.94 111.14 2k0f h PHE 88 Ca -0.02 -0.09 -0.54 0.00 2.80 0.00 0.00 57.97 60.11 2k0f h PHE 88 Cb 1.05 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 38.82 2k0f h PHE 88 CO 0.25 0.85 1.11 0.34 -0.60 0.00 0.00 178.31 180.27 2k0f s ASP 89 N -6.45 6.08 0.00 2.17 2.15 -0.44 -4.46 116.67 115.72 2k0f s ASP 89 Ca -0.11 0.25 -0.25 0.00 0.43 0.00 0.00 52.55 52.87 2k0f s ASP 89 Cb 0.16 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 89 CO 0.83 -1.75 1.22 0.11 -0.17 0.00 0.00 175.17 175.41 2k0f h LYS 90 N 11.22 -0.33 0.22 4.34 1.79 -1.77 -3.37 116.57 128.67 2k0f h LYS 90 Ca -0.27 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 2k0f h LYS 90 Cb 1.09 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2k0f h LYS 90 CO 1.18 0.01 -0.11 0.38 -1.08 0.00 0.00 179.45 179.83 2k0f h ASP 91 N -0.71 -0.25 0.00 0.86 3.04 -1.91 -3.49 116.42 113.96 2k0f h ASP 91 Ca -0.03 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 2k0f h ASP 91 Cb 0.49 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 2k0f h ASP 91 CO 0.06 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.12 2k0f n GLY 92 N 0.82 0.98 0.11 7.15 0.00 -1.26 -5.07 105.19 107.93 2k0f n GLY 92 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.48 115.58 110.70 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 0.48 0.00 0.61 0.07 0.00 0.00 177.43 178.59 2k0f n GLY 94 N 1.33 1.17 2.83 9.14 0.00 -1.26 -5.10 105.19 113.30 2k0f n GLY 94 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 1.61 1.51 -1.26 -4.50 117.35 112.41 2k0f s TYR 95 Ca 0.00 0.15 -0.23 0.00 -1.01 0.00 0.00 57.07 55.98 2k0f s TYR 95 Cb 0.00 -0.15 -0.00 0.00 -0.11 0.00 0.00 41.96 41.70 2k0f s TYR 95 CO 0.00 -0.08 0.78 0.42 -1.11 0.00 0.00 175.55 175.56 2k0f s ILE 96 N 0.77 4.82 0.50 2.71 1.01 0.30 -4.83 121.20 126.47 2k0f s ILE 96 Ca -0.06 1.25 0.08 0.00 0.00 0.00 0.00 60.65 61.92 2k0f s ILE 96 Cb -0.09 -4.12 0.05 0.00 0.01 0.00 0.00 42.46 38.31 2k0f s ILE 96 CO -0.02 -0.18 0.68 -0.55 0.00 0.00 0.00 174.94 174.86 2k0f s SER 97 N 1.55 5.38 0.11 3.58 0.15 -1.26 -1.80 113.70 121.40 2k0f s SER 97 Ca 0.32 -0.59 -0.13 0.00 0.70 0.00 0.00 55.95 56.25 2k0f s SER 97 Cb -0.14 -0.24 -0.12 0.00 -1.71 0.00 0.00 66.02 63.81 2k0f s SER 97 CO 0.11 -1.05 1.36 0.00 1.20 0.00 0.00 173.24 174.86 2k0f h ALA 98 N 0.40 0.38 -0.26 5.45 0.00 -1.95 -0.64 119.26 122.63 2k0f h ALA 98 Ca -0.36 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 98 Cb 1.28 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.43 0.63 -0.41 0.00 0.00 0.00 0.00 179.25 179.90 2k0f h ALA 99 N 0.62 -0.49 -0.28 0.00 0.00 -1.98 -1.85 119.26 115.29 2k0f h ALA 99 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 99 Cb 1.22 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 2k0f h ALA 99 CO 0.13 -0.88 0.07 0.93 0.00 0.00 0.00 179.25 179.50 2k0f h GLU 100 N -0.40 0.17 -0.76 0.00 5.08 -1.79 0.10 114.58 116.98 2k0f h GLU 100 Ca 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 100 Cb 0.60 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 100 CO -0.48 0.11 0.44 1.25 -1.00 0.00 0.00 179.01 179.34 2k0f h LEU 101 N 0.18 0.92 -0.87 1.33 5.85 -1.17 0.22 115.31 121.77 2k0f h LEU 101 Ca 0.13 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2k0f h LEU 101 Cb 0.12 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2k0f h LEU 101 CO -0.16 0.72 -0.50 -0.09 -0.34 0.00 0.00 178.44 178.07 2k0f h ARG 102 N 1.05 0.17 0.23 1.25 2.43 -0.69 -3.02 114.38 115.79 2k0f h ARG 102 Ca 0.27 -0.09 -0.34 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 102 Cb -0.02 0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2k0f h ARG 102 CO -0.05 0.63 -1.56 0.45 -1.51 0.00 0.00 179.97 177.93 2k0f h HIS 103 N 0.13 0.87 0.00 2.20 3.86 -0.57 -3.15 115.15 118.49 2k0f h HIS 103 Ca 0.00 -0.64 -0.09 0.00 -1.16 0.00 0.00 60.37 58.49 2k0f h HIS 103 Cb 0.93 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 2k0f h HIS 103 CO 0.01 1.59 -0.41 -0.24 0.86 0.00 0.00 177.93 179.74 2k0f h VAL 104 N 0.13 1.10 0.20 2.45 3.04 -0.99 -1.85 116.25 120.33 2k0f h VAL 104 Ca -0.28 -1.51 -0.00 0.00 -1.01 0.00 0.00 66.70 63.90 2k0f h VAL 104 Cb 2.14 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 33.27 2k0f h VAL 104 CO 0.24 0.40 -0.17 0.24 -1.01 0.00 0.00 177.57 177.27 2k0f h MET 105 N 0.00 -0.38 -1.01 4.17 2.07 -1.61 -3.04 114.93 115.13 2k0f h MET 105 Ca -0.00 0.03 0.25 0.00 -2.07 0.00 0.00 59.70 57.90 2k0f h MET 105 Cb 0.83 0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 30.56 2k0f h MET 105 CO 0.05 -0.25 0.66 1.15 1.07 0.00 0.00 176.91 179.59 2k0f h THR 106 N -0.39 0.56 -0.13 2.22 2.02 -1.30 0.29 112.91 116.18 2k0f h THR 106 Ca -0.01 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 2k0f h THR 106 Cb 0.35 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2k0f h THR 106 CO -0.02 0.07 -0.64 0.78 0.37 0.00 0.00 175.52 176.08 2k0f h ASN 107 N 0.38 0.56 0.04 4.18 -0.26 -1.39 -3.16 115.58 115.94 2k0f h ASN 107 Ca 0.56 -0.33 -0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2k0f h ASN 107 Cb 1.46 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 2k0f h ASN 107 CO -0.25 1.06 -0.02 -0.07 -1.06 0.00 0.00 177.43 177.09 2k0f h LEU 108 N 0.36 -0.05 0.00 1.61 3.38 -1.19 -3.44 115.31 115.98 2k0f h LEU 108 Ca -0.01 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2k0f h LEU 108 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k0f h LEU 108 CO 0.12 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2k0f n GLY 109 N 1.20 0.00 3.81 0.83 0.00 0.93 -4.97 105.19 106.98 2k0f n GLY 109 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 2.29 -0.64 1.61 0.41 -0.70 -4.95 118.70 116.72 2k0f s GLU 110 Ca 0.00 -1.87 0.06 0.00 -0.41 0.00 0.00 54.97 52.75 2k0f s GLU 110 Cb 0.00 -2.05 0.22 0.00 -1.78 0.00 0.00 34.13 30.52 2k0f s GLU 110 CO 0.00 -0.27 0.65 1.63 -0.49 0.00 0.00 175.26 176.78 2k0f n LYS 111 N -1.42 2.16 -2.71 1.61 5.02 -1.26 -3.77 118.16 117.78 2k0f n LYS 111 Ca -0.02 -4.49 -0.39 0.00 -2.02 0.00 0.00 58.31 51.39 2k0f n LYS 111 Cb 0.64 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 2k0f n LYS 111 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k0f s LEU 112 N -2.04 4.55 0.49 -0.35 2.96 -1.26 -5.04 118.68 117.99 2k0f s LEU 112 Ca 0.35 1.97 0.07 0.00 -0.22 0.00 0.00 54.13 56.30 2k0f s LEU 112 Cb 0.09 -3.72 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2k0f s LEU 112 CO -0.07 0.04 0.39 0.42 -1.32 0.00 0.00 176.35 175.81 2k0f s THR 113 N -1.29 2.06 0.26 3.68 -4.23 -1.26 -4.99 115.64 109.86 2k0f s THR 113 Ca 0.44 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2k0f s THR 113 Cb -0.25 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2k0f s THR 113 CO 0.31 0.00 1.67 0.44 -0.54 0.00 0.00 174.62 176.50 2k0f h ASP 114 N 0.89 0.48 0.00 3.99 5.19 -1.99 -2.69 116.42 122.29 2k0f h ASP 114 Ca -0.38 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2k0f h ASP 114 Cb 1.28 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2k0f h ASP 114 CO 0.58 0.79 0.00 1.21 -3.12 0.00 0.00 179.24 178.70 2k0f n GLU 115 N -4.07 0.00 -0.24 3.56 2.13 -1.26 -2.72 120.64 118.04 2k0f n GLU 115 Ca -0.01 0.44 -0.03 0.00 0.66 0.00 0.00 57.16 58.22 2k0f n GLU 115 Cb 0.46 -1.39 0.03 0.00 0.27 0.00 0.00 31.44 30.81 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k0f h GLU 116 N 0.00 -0.10 -0.86 5.31 5.08 -1.98 -2.21 114.58 119.83 2k0f h GLU 116 Ca 0.00 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 116 Cb 0.00 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.15 2k0f h GLU 116 CO 0.00 -0.07 0.34 -0.24 -1.00 0.00 0.00 179.01 178.05 2k0f h VAL 117 N -0.10 0.51 -0.54 3.13 3.04 -1.58 -0.19 116.25 120.51 2k0f h VAL 117 Ca 0.28 -0.13 -0.09 0.00 -1.01 0.00 0.00 66.70 65.74 2k0f h VAL 117 Cb 0.56 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.90 2k0f h VAL 117 CO -0.75 0.07 -0.02 -0.78 -1.01 0.00 0.00 177.57 175.08 2k0f h ASP 118 N 0.39 0.95 -0.41 3.17 1.82 -1.20 -2.02 116.42 119.13 2k0f h ASP 118 Ca 0.52 -0.32 -0.07 0.00 -0.39 0.00 0.00 57.03 56.77 2k0f h ASP 118 Cb 0.94 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2k0f h ASP 118 CO -0.51 1.04 -0.01 -0.08 -1.61 0.00 0.00 179.24 178.06 2k0f h GLU 119 N 0.84 0.72 -0.36 0.28 4.57 -1.22 -2.34 114.58 117.07 2k0f h GLU 119 Ca 0.15 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2k0f h GLU 119 Cb 0.56 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2k0f h GLU 119 CO 0.03 0.82 -0.07 0.52 -1.18 0.00 0.00 179.01 179.13 2k0f h MET 120 N 0.55 0.68 -0.13 1.92 2.86 -0.98 -1.56 114.93 118.28 2k0f h MET 120 Ca 0.11 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 120 Cb 0.50 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2k0f h MET 120 CO 0.02 0.83 -0.15 0.82 1.06 0.00 0.00 176.91 179.49 2k0f h ILE 121 N 0.47 0.00 -0.21 -1.22 2.04 -1.26 -2.43 117.51 114.90 2k0f h ILE 121 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2k0f h ILE 121 Cb 0.56 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2k0f h ILE 121 CO 0.03 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 178.16 2k0f h ARG 122 N -0.10 0.32 0.00 2.37 3.08 -0.96 0.50 114.38 119.59 2k0f h ARG 122 Ca 0.02 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 122 Cb 0.16 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2k0f h ARG 122 CO -0.17 0.40 -0.18 1.49 -1.07 0.00 0.00 179.97 180.43 2k0f h GLU 123 N 0.31 -0.29 0.02 0.04 4.81 -1.34 -3.36 114.58 114.78 2k0f h GLU 123 Ca 0.07 0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 123 Cb 0.30 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2k0f h GLU 123 CO 0.01 -0.19 -1.18 0.00 -0.73 0.00 0.00 179.01 176.92 2k0f h ALA 124 N 0.61 0.41 -2.72 2.92 0.00 -0.83 -3.44 119.26 116.22 2k0f h ALA 124 Ca 0.06 -1.03 -0.50 0.00 0.00 0.00 0.00 54.91 53.44 2k0f h ALA 124 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k0f h ALA 124 CO -0.17 1.29 0.41 0.34 0.00 0.00 0.00 179.25 181.11 2k0f s ASP 125 N -6.64 7.46 -0.23 0.00 -1.08 0.17 -4.62 116.67 111.74 2k0f s ASP 125 Ca -0.01 2.03 -0.02 0.00 -0.52 0.00 0.00 52.55 54.03 2k0f s ASP 125 Cb 0.09 -2.61 -0.13 0.00 -1.46 0.00 0.00 42.92 38.81 2k0f s ASP 125 CO 0.83 -0.02 -0.22 -0.38 0.52 0.00 0.00 175.17 175.90 2k0f n ILE 126 N 1.78 1.27 -0.17 4.11 5.41 -1.26 -4.16 119.36 126.34 2k0f n ILE 126 Ca -0.00 -0.45 -0.10 0.00 1.00 0.00 0.00 62.75 63.20 2k0f n ILE 126 Cb 0.47 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 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 -0.21 0.88 -0.01 4.38 3.32 -1.95 -3.47 116.42 119.36 2k0f h ASP 127 Ca -0.52 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.21 2k0f h ASP 127 Cb 1.71 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2k0f h ASP 127 CO -0.15 0.99 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 2k0f n GLY 128 N -0.36 1.45 0.10 2.75 0.00 -1.26 -5.04 105.19 102.83 2k0f n GLY 128 Ca 0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.14 0.00 1.61 2.03 -1.92 -3.49 116.42 114.79 2k0f h ASP 129 Ca 0.00 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2k0f h ASP 129 Cb 0.33 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 2k0f h ASP 129 CO 0.00 1.28 0.00 0.61 -1.03 0.00 0.00 179.24 180.10 2k0f n GLY 130 N 1.69 1.19 3.16 7.15 0.00 -1.26 -5.09 105.19 112.03 2k0f n GLY 130 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N 0.00 2.48 -0.25 1.61 -1.52 -1.26 -4.60 119.66 116.12 2k0f s GLN 131 Ca 0.00 -0.73 -0.12 0.00 -1.95 0.00 0.00 55.36 52.56 2k0f s GLN 131 Cb 0.00 -1.95 -0.05 0.00 -0.22 0.00 0.00 33.01 30.79 2k0f s GLN 131 CO 0.00 0.17 0.24 0.08 -0.25 0.00 0.00 175.29 175.53 2k0f s VAL 132 N 0.33 5.29 0.05 1.09 1.01 -0.75 -4.89 120.40 122.53 2k0f s VAL 132 Ca -0.14 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2k0f s VAL 132 Cb -0.16 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2k0f s VAL 132 CO 0.06 0.28 0.05 -0.46 0.00 0.00 0.00 175.10 175.03 2k0f n ASN 133 N 4.68 0.59 0.42 3.32 0.23 -1.26 -0.54 115.26 122.70 2k0f n ASN 133 Ca -0.13 -1.14 -0.18 0.00 -0.53 0.00 0.00 54.58 52.60 2k0f n ASN 133 Cb 0.52 -0.02 -0.09 0.00 -2.08 0.00 0.00 39.78 38.11 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 0.23 -1.00 -0.77 -2.53 3.20 -1.98 -1.49 116.97 112.63 2k0f h TYR 134 Ca -0.02 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.98 2k0f h TYR 134 Cb 0.10 0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.60 2k0f h TYR 134 CO 0.00 -0.61 0.30 1.49 -1.64 0.00 0.00 178.16 177.70 2k0f h GLU 135 N -1.15 0.41 -0.43 1.82 4.81 -1.98 -1.06 114.58 116.99 2k0f h GLU 135 Ca -0.11 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 135 Cb 0.83 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2k0f h GLU 135 CO 0.18 0.27 0.17 0.93 -0.73 0.00 0.00 179.01 179.83 2k0f h GLU 136 N 0.42 0.64 -0.78 1.92 5.08 -1.86 0.29 114.58 120.29 2k0f h GLU 136 Ca 0.43 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 136 Cb 0.69 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 136 CO -0.43 0.60 0.38 0.35 -1.00 0.00 0.00 179.01 178.90 2k0f h PHE 137 N 0.55 1.12 -0.02 4.33 3.57 -0.61 -1.23 116.94 124.65 2k0f h PHE 137 Ca 0.14 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 137 Cb 0.19 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.58 2k0f h PHE 137 CO 0.00 0.81 -0.04 0.28 -2.23 0.00 0.00 178.31 177.13 2k0f h VAL 138 N 1.11 1.45 -0.28 1.41 2.07 -1.08 -2.75 116.25 118.19 2k0f h VAL 138 Ca 0.27 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2k0f h VAL 138 Cb 0.11 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2k0f h VAL 138 CO -0.03 0.36 0.06 -0.61 0.02 0.00 0.00 177.57 177.37 2k0f h GLN 139 N -0.49 0.39 -0.39 1.57 5.75 -0.34 -2.08 115.11 119.52 2k0f h GLN 139 Ca 0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 2k0f h GLN 139 Cb 0.61 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2k0f h GLN 139 CO 0.01 0.38 -0.03 1.98 -2.65 0.00 0.00 178.83 178.52 2k0f h MET 140 N 0.39 0.71 0.00 1.69 4.05 -1.25 -3.33 114.93 117.19 2k0f h MET 140 Ca 0.09 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.21 2k0f h MET 140 Cb 0.17 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2k0f h MET 140 CO -0.00 0.81 -0.32 0.52 0.23 0.00 0.00 176.91 178.16 2k0f h MET 141 N 0.52 0.00 -0.01 0.39 2.86 -1.20 -3.52 114.93 113.98 2k0f h MET 141 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 141 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 141 CO 0.03 0.32 0.00 0.25 1.06 0.00 0.00 176.91 178.56