#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 0.81 -0.82 -0.78 4.81 -2.05 -2.03 114.58 114.52 2k0f h GLU 2 Ca 0.00 -0.13 0.16 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 2 Cb 0.00 -0.14 -0.16 0.00 0.63 0.00 0.00 28.75 29.09 2k0f h GLU 2 CO 0.00 0.68 -0.21 1.49 -0.73 0.00 0.00 179.01 180.25 2k0f h GLU 3 N 0.74 -0.00 -0.31 1.92 4.81 -2.05 -0.58 114.58 119.11 2k0f h GLU 3 Ca 0.19 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 3 Cb 0.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2k0f h GLU 3 CO -0.02 -0.00 -0.47 1.96 -0.73 0.00 0.00 179.01 179.75 2k0f h GLN 4 N -0.00 0.83 -0.57 1.92 4.20 -1.81 -1.06 115.11 118.62 2k0f h GLN 4 Ca 0.39 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.64 2k0f h GLN 4 Cb 0.60 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 2k0f h GLN 4 CO -0.85 1.12 0.36 0.82 -0.67 0.00 0.00 178.83 179.61 2k0f h ILE 5 N 0.66 1.10 -0.14 2.54 1.08 -1.13 -0.85 117.51 120.77 2k0f h ILE 5 Ca 0.03 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2k0f h ILE 5 Cb 1.06 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2k0f h ILE 5 CO 0.11 0.13 -0.06 0.00 -0.69 0.00 0.00 178.15 177.64 2k0f h ALA 6 N 1.23 1.65 -0.03 1.87 0.00 -0.72 0.25 119.26 123.50 2k0f h ALA 6 Ca 0.22 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 6 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 6 CO -0.07 0.26 -0.92 0.93 0.00 0.00 0.00 179.25 179.45 2k0f h GLU 7 N 0.20 0.55 -0.59 0.00 4.39 -0.88 -1.89 114.58 116.36 2k0f h GLU 7 Ca 0.05 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.13 2k0f h GLU 7 Cb 0.24 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2k0f h GLU 7 CO 0.01 1.18 0.12 0.74 -1.16 0.00 0.00 179.01 179.89 2k0f h PHE 8 N 0.33 0.98 -0.52 4.33 0.04 -0.99 -2.00 116.94 119.10 2k0f h PHE 8 Ca -0.08 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 2k0f h PHE 8 Cb 1.55 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 2k0f h PHE 8 CO 0.07 0.82 0.28 -0.22 -0.60 0.00 0.00 178.31 178.67 2k0f h LYS 9 N 0.89 0.73 -0.97 1.51 1.63 -0.31 -1.92 116.57 118.13 2k0f h LYS 9 Ca 0.19 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 2k0f h LYS 9 Cb 0.36 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.78 2k0f h LYS 9 CO 0.00 0.57 0.62 1.49 -3.45 0.00 0.00 179.45 178.69 2k0f h GLU 10 N 0.70 1.09 0.04 1.90 4.81 -1.35 0.37 114.58 122.13 2k0f h GLU 10 Ca 0.18 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 10 Cb 0.05 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2k0f h GLU 10 CO -0.03 0.72 -0.02 0.00 -0.73 0.00 0.00 179.01 178.96 2k0f h ALA 11 N 1.45 -0.05 -0.76 2.92 0.00 -1.24 -2.84 119.26 118.74 2k0f h ALA 11 Ca 0.42 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 11 Cb 0.19 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 2k0f h ALA 11 CO -0.18 -0.30 -0.18 0.35 0.00 0.00 0.00 179.25 178.95 2k0f h PHE 12 N -0.51 -0.38 -0.09 0.00 3.57 -1.11 -2.36 116.94 116.06 2k0f h PHE 12 Ca -0.00 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 12 Cb 0.47 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2k0f h PHE 12 CO 0.08 -0.32 0.21 0.77 -2.23 0.00 0.00 178.31 176.82 2k0f h SER 13 N 0.01 0.00 0.80 0.41 0.02 -0.69 -1.43 113.55 112.66 2k0f h SER 13 Ca 0.37 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.18 2k0f h SER 13 Cb 0.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2k0f h SER 13 CO -0.78 0.00 -0.68 0.25 -1.14 0.00 0.00 176.83 174.48 2k0f h LEU 14 N 0.00 0.00 0.00 5.07 5.85 -1.25 -3.38 115.31 121.59 2k0f h LEU 14 Ca 0.04 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.49 2k0f h LEU 14 Cb 0.47 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2k0f h LEU 14 CO -0.00 0.68 -1.51 0.49 -0.34 0.00 0.00 178.44 177.76 2k0f n PHE 15 N -3.62 0.78 -1.94 1.25 3.72 -0.64 -4.75 117.46 112.26 2k0f n PHE 15 Ca -0.01 0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 57.31 2k0f n PHE 15 Cb 0.69 -1.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -6.94 6.40 -0.00 4.37 -1.08 -0.63 -4.66 116.67 114.12 2k0f s ASP 16 Ca -0.30 2.06 0.21 0.00 -0.52 0.00 0.00 52.55 54.00 2k0f s ASP 16 Cb 0.08 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.83 2k0f s ASP 16 CO 0.55 -1.18 0.92 0.29 0.52 0.00 0.00 175.17 176.28 2k0f n LYS 17 N 7.56 0.03 -0.07 4.34 4.76 -1.26 -4.17 118.16 129.36 2k0f n LYS 17 Ca 0.20 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.53 2k0f n LYS 17 Cb 0.44 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.04 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 0.00 -2.46 4.39 3.32 -1.92 -3.50 116.42 116.25 2k0f h ASP 18 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2k0f h ASP 18 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2k0f h ASP 18 CO 0.00 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 2k0f n GLY 19 N 1.65 0.44 0.26 2.75 0.00 -1.26 -5.04 105.19 103.99 2k0f n GLY 19 Ca -0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.04 2.26 0.00 1.61 5.75 -1.26 -5.01 116.55 118.87 2k0f n ASP 20 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 2k0f n ASP 20 Cb 0.41 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 2.66 1.95 2.95 6.12 0.00 -1.26 -5.12 105.19 112.49 2k0f n GLY 21 Ca -0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 0.46 -0.15 2.61 -4.23 -1.26 -3.17 115.64 107.90 2k0f s THR 22 Ca 0.00 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 2k0f s THR 22 Cb 0.00 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 2k0f s THR 22 CO 0.00 0.14 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.53 2k0f s ILE 23 N 0.05 3.67 0.48 2.99 1.01 -0.35 -4.71 121.20 124.34 2k0f s ILE 23 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 2k0f s ILE 23 Cb -0.04 -2.59 0.10 0.00 0.01 0.00 0.00 42.46 39.94 2k0f s ILE 23 CO -0.00 0.50 0.66 0.35 0.00 0.00 0.00 174.94 176.45 2k0f n THR 24 N 3.50 0.00 -0.16 2.92 -2.24 -1.26 -2.99 114.28 114.06 2k0f n THR 24 Ca -0.18 -0.72 0.02 0.00 -2.27 0.00 0.00 64.05 60.90 2k0f n THR 24 Cb 0.53 -1.42 0.30 0.00 -2.10 0.00 0.00 70.33 67.64 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -0.98 1.16 -0.05 4.28 1.35 -1.88 -2.71 112.91 114.08 2k0f h THR 25 Ca -0.22 -0.30 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 2k0f h THR 25 Cb 0.68 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2k0f h THR 25 CO 0.19 0.16 -0.06 0.11 -0.25 0.00 0.00 175.52 175.66 2k0f h LYS 26 N 0.88 0.13 -0.20 4.72 1.57 -1.97 -1.17 116.57 120.52 2k0f h LYS 26 Ca 0.25 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2k0f h LYS 26 Cb -0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2k0f h LYS 26 CO -0.06 0.62 -0.15 0.93 -0.57 0.00 0.00 179.45 180.22 2k0f h GLU 27 N -0.35 0.33 -0.15 3.15 5.08 -1.89 0.28 114.58 121.03 2k0f h GLU 27 Ca 0.01 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 27 Cb 0.60 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k0f h GLU 27 CO 0.02 0.48 -0.65 1.25 -1.00 0.00 0.00 179.01 179.11 2k0f h LEU 28 N 0.30 0.82 -0.50 1.33 5.85 -1.56 -2.69 115.31 118.87 2k0f h LEU 28 Ca 0.06 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 2k0f h LEU 28 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2k0f h LEU 28 CO 0.03 1.31 0.30 1.23 -0.34 0.00 0.00 178.44 180.97 2k0f h GLY 29 N 0.39 0.73 -0.46 3.75 0.00 -1.01 -2.11 103.07 104.36 2k0f h GLY 29 Ca -0.04 -0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.11 2k0f h GLY 29 CO 0.14 0.30 -0.25 -0.84 0.00 0.00 0.00 176.54 175.89 2k0f h THR 30 N 0.67 0.22 -0.02 4.70 2.02 -0.45 0.43 112.91 120.48 2k0f h THR 30 Ca 0.18 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.37 2k0f h THR 30 Cb 0.00 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 2k0f h THR 30 CO -0.03 0.00 -0.26 0.58 0.37 0.00 0.00 175.52 176.17 2k0f h VAL 31 N -0.06 0.00 -0.18 3.16 2.07 -1.22 -0.85 116.25 119.17 2k0f h VAL 31 Ca 0.31 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 2k0f h VAL 31 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2k0f h VAL 31 CO -0.73 0.00 0.08 0.24 0.02 0.00 0.00 177.57 177.18 2k0f h MET 32 N -0.32 0.27 -0.71 1.57 2.86 -1.16 -1.95 114.93 115.49 2k0f h MET 32 Ca 0.01 -0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.74 2k0f h MET 32 Cb 0.35 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 2k0f h MET 32 CO -0.19 0.33 0.48 -0.09 1.06 0.00 0.00 176.91 178.50 2k0f h ARG 33 N 0.15 0.41 -0.00 1.72 2.43 -0.15 -0.95 114.38 118.00 2k0f h ARG 33 Ca 0.06 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2k0f h ARG 33 Cb 0.15 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2k0f h ARG 33 CO -0.01 0.27 -0.58 0.77 -1.51 0.00 0.00 179.97 178.92 2k0f h SER 34 N 0.42 0.01 -0.46 -3.80 0.02 -0.53 -2.38 113.55 106.84 2k0f h SER 34 Ca 0.34 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2k0f h SER 34 Cb 0.75 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2k0f h SER 34 CO -0.11 0.58 0.04 -0.07 -1.14 0.00 0.00 176.83 176.14 2k0f h LEU 35 N 0.01 0.75 0.00 5.07 3.38 -0.88 -3.44 115.31 120.20 2k0f h LEU 35 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2k0f h LEU 35 Cb 1.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k0f h LEU 35 CO 0.08 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2k0f n GLY 36 N -0.45 0.46 3.94 0.83 0.00 -0.42 -5.03 105.19 104.50 2k0f n GLY 36 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.14 -0.61 1.61 1.11 -0.82 -4.96 119.66 119.13 2k0f s GLN 37 Ca 0.00 -0.28 0.04 0.00 0.01 0.00 0.00 55.36 55.13 2k0f s GLN 37 Cb 0.00 -2.48 0.16 0.00 -1.01 0.00 0.00 33.01 29.67 2k0f s GLN 37 CO 0.00 -0.31 0.40 -0.80 0.01 0.00 0.00 175.29 174.58 2k0f s ASN 38 N -4.20 4.26 0.62 5.90 0.01 -1.26 -3.86 114.94 116.41 2k0f s ASN 38 Ca 0.49 -3.45 -0.16 0.00 -0.71 0.00 0.00 52.86 49.02 2k0f s ASN 38 Cb -0.10 -1.46 -0.02 0.00 0.41 0.00 0.00 41.25 40.08 2k0f s ASN 38 CO 0.40 -0.15 1.10 -2.16 -1.51 0.00 0.00 177.10 174.79 2k0f s PRO 39 N -0.85 3.01 0.27 -0.60 0.04 -1.26 -5.05 135.00 130.57 2k0f s PRO 39 Ca 0.23 1.39 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 2k0f s PRO 39 Cb -0.11 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2k0f s PRO 39 CO -0.11 -1.08 0.58 0.95 0.04 0.00 0.00 177.00 177.38 2k0f s THR 40 N -2.26 4.95 0.34 1.26 -4.23 -1.26 -4.97 115.64 109.46 2k0f s THR 40 Ca 0.67 0.34 0.11 0.00 -1.18 0.00 0.00 61.69 61.63 2k0f s THR 40 Cb -0.20 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.29 2k0f s THR 40 CO 0.38 -0.22 1.75 -0.33 -0.54 0.00 0.00 174.62 175.65 2k0f h GLU 41 N 2.05 0.55 -0.15 3.99 3.07 -1.97 -0.41 114.58 121.72 2k0f h GLU 41 Ca -0.47 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.30 2k0f h GLU 41 Cb 1.18 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2k0f h GLU 41 CO 0.67 0.37 -0.16 0.00 -1.40 0.00 0.00 179.01 178.48 2k0f h ALA 42 N 1.69 1.45 0.13 3.43 0.00 -1.99 -1.72 119.26 122.25 2k0f h ALA 42 Ca 0.62 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 42 Cb 1.23 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 42 CO -0.41 0.39 -1.03 1.49 0.00 0.00 0.00 179.25 179.69 2k0f h GLU 43 N 0.23 0.47 -0.86 0.00 4.81 -1.64 -2.70 114.58 114.88 2k0f h GLU 43 Ca 0.04 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 2k0f h GLU 43 Cb 0.43 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 43 CO 0.03 1.30 0.51 -0.07 -0.73 0.00 0.00 179.01 180.04 2k0f h LEU 44 N -0.03 1.04 -0.17 1.64 3.38 -0.85 0.21 115.31 120.53 2k0f h LEU 44 Ca -0.16 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2k0f h LEU 44 Cb 1.76 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2k0f h LEU 44 CO 0.20 0.81 -0.15 0.06 0.09 0.00 0.00 178.44 179.44 2k0f h GLN 45 N 1.19 0.40 -0.43 1.13 3.07 -1.43 -3.07 115.11 115.97 2k0f h GLN 45 Ca 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 2k0f h GLN 45 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.51 2k0f h GLN 45 CO -0.06 0.76 0.16 0.22 0.09 0.00 0.00 178.83 180.01 2k0f h ASP 46 N 0.06 0.55 -0.25 0.06 3.58 -1.04 -1.47 116.42 117.90 2k0f h ASP 46 Ca 0.03 -0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.48 2k0f h ASP 46 Cb 0.68 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 2k0f h ASP 46 CO 0.04 0.51 -0.20 -0.03 -2.88 0.00 0.00 179.24 176.68 2k0f h MET 47 N 0.61 -0.18 -0.20 0.28 4.05 -0.56 -3.24 114.93 115.68 2k0f h MET 47 Ca 0.15 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 47 Cb 0.14 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2k0f h MET 47 CO -0.01 -0.12 -0.21 0.82 0.23 0.00 0.00 176.91 177.61 2k0f h ILE 48 N -0.19 1.33 -0.98 1.77 2.04 -1.31 -3.30 117.51 116.87 2k0f h ILE 48 Ca 0.14 -1.38 0.30 0.00 1.00 0.00 0.00 64.86 64.92 2k0f h ILE 48 Cb 0.40 1.77 -0.18 0.00 -0.74 0.00 0.00 36.82 38.07 2k0f h ILE 48 CO -0.37 0.42 0.17 0.78 0.00 0.00 0.00 178.15 179.16 2k0f h ASN 49 N 0.17 -0.24 -0.64 1.72 -0.26 -1.32 0.72 115.58 115.74 2k0f h ASN 49 Ca 0.03 0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.99 2k0f h ASN 49 Cb 0.76 0.41 -0.03 0.00 -1.06 0.00 0.00 38.32 38.40 2k0f h ASN 49 CO 0.05 -0.35 0.22 -0.08 -1.06 0.00 0.00 177.43 176.20 2k0f h GLU 50 N 0.03 1.01 0.00 0.81 4.81 -1.65 -3.32 114.58 116.27 2k0f h GLU 50 Ca 0.65 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2k0f h GLU 50 Cb 1.46 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2k0f h GLU 50 CO -0.86 0.86 -1.34 1.33 -0.73 0.00 0.00 179.01 178.28 2k0f n VAL 51 N -4.27 0.26 -2.35 0.32 0.24 -0.84 -4.77 118.33 106.92 2k0f n VAL 51 Ca 0.05 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.34 61.57 2k0f n VAL 51 Cb 0.21 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 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 -4.59 5.97 0.17 -1.34 2.15 0.19 -4.78 116.67 114.43 2k0f s ASP 52 Ca -0.01 -1.27 -0.21 0.00 0.43 0.00 0.00 52.55 51.49 2k0f s ASP 52 Cb 0.13 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.25 2k0f s ASP 52 CO 0.83 -2.00 1.62 0.00 -0.17 0.00 0.00 175.17 175.45 2k0f h ALA 53 N 10.14 -0.03 -0.17 3.66 0.00 -1.88 -3.09 119.26 127.89 2k0f h ALA 53 Ca 0.18 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2k0f h ALA 53 Cb 0.99 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2k0f h ALA 53 CO 1.34 -0.64 -0.49 0.38 0.00 0.00 0.00 179.25 179.84 2k0f h ASP 54 N -0.19 0.50 -0.79 0.00 3.04 -1.93 -3.48 116.42 113.58 2k0f h ASP 54 Ca 0.18 -0.25 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k0f h ASP 54 Cb 0.48 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 2k0f h ASP 54 CO -0.49 0.92 0.00 0.61 -2.04 0.00 0.00 179.24 178.24 2k0f n GLY 55 N 0.11 0.87 0.13 7.15 0.00 -1.17 -5.01 105.19 107.28 2k0f n GLY 55 Ca -0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.67 2.03 0.00 1.61 6.94 -1.26 -4.94 115.26 120.31 2k0f n ASN 56 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 2k0f n ASN 56 Cb 0.33 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.84 0.13 3.20 4.83 0.00 -1.26 -5.13 105.19 108.79 2k0f n GLY 57 Ca -0.36 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 1.39 -0.38 2.61 -4.23 -1.26 -4.71 115.64 109.05 2k0f s THR 58 Ca 0.00 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 59.09 2k0f s THR 58 Cb 0.00 -1.24 0.01 0.00 1.34 0.00 0.00 72.50 72.62 2k0f s THR 58 CO 0.00 0.08 1.24 -0.51 -0.54 0.00 0.00 174.62 174.89 2k0f s ILE 59 N -0.87 4.16 0.88 2.99 2.07 -1.16 -4.74 121.20 124.53 2k0f s ILE 59 Ca 0.04 1.25 -0.11 0.00 -1.41 0.00 0.00 60.65 60.42 2k0f s ILE 59 Cb -0.08 -4.34 0.17 0.00 0.13 0.00 0.00 42.46 38.33 2k0f s ILE 59 CO 0.02 -0.71 1.21 -1.81 -1.91 0.00 0.00 174.94 171.74 2k0f s ASP 60 N 2.80 3.61 0.01 4.50 1.11 -1.26 -1.22 116.67 126.22 2k0f s ASP 60 Ca 0.53 0.12 -0.22 0.00 0.18 0.00 0.00 52.55 53.16 2k0f s ASP 60 Cb -0.12 -0.31 -0.17 0.00 1.07 0.00 0.00 42.92 43.39 2k0f s ASP 60 CO 0.27 -2.40 1.29 0.15 1.18 0.00 0.00 175.17 175.66 2k0f h PHE 61 N -1.25 0.30 0.00 4.23 3.57 -1.95 -2.25 116.94 119.59 2k0f h PHE 61 Ca -0.42 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 61 Cb 1.25 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2k0f h PHE 61 CO -0.75 0.70 0.00 -0.35 -2.23 0.00 0.00 178.31 175.68 2k0f n PRO 62 N -4.63 0.02 0.04 6.41 -0.04 -1.26 -1.31 135.00 134.23 2k0f n PRO 62 Ca -0.07 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2k0f n PRO 62 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.15 0.36 0.54 5.08 -1.86 -1.33 114.58 117.51 2k0f h GLU 63 Ca 0.00 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2k0f h GLU 63 Cb 0.35 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2k0f h GLU 63 CO 0.00 0.96 -0.34 0.35 -1.00 0.00 0.00 179.01 178.98 2k0f h PHE 64 N 0.04 -0.90 -0.94 4.33 3.57 -1.13 -2.61 116.94 119.29 2k0f h PHE 64 Ca -0.22 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 64 Cb 1.97 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 40.98 2k0f h PHE 64 CO 0.04 -0.48 0.60 -0.07 -2.23 0.00 0.00 178.31 176.17 2k0f h LEU 65 N -0.71 0.68 -0.37 0.59 3.38 -1.16 0.18 115.31 117.90 2k0f h LEU 65 Ca -0.02 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 65 Cb 0.64 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 65 CO -0.05 0.30 -0.21 0.74 0.09 0.00 0.00 178.44 179.31 2k0f h THR 66 N 0.69 0.40 0.04 0.22 2.02 -1.24 -2.26 112.91 112.78 2k0f h THR 66 Ca 0.50 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2k0f h THR 66 Cb 0.84 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2k0f h THR 66 CO -0.26 0.21 -0.02 -0.03 0.37 0.00 0.00 175.52 175.79 2k0f h MET 67 N 0.00 -0.05 -0.04 6.66 1.85 -0.94 -3.41 114.93 119.01 2k0f h MET 67 Ca -0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.96 2k0f h MET 67 Cb 1.03 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.06 2k0f h MET 67 CO 0.03 -0.03 -0.60 0.52 -0.40 0.00 0.00 176.91 176.42 2k0f h MET 68 N -0.14 0.13 0.07 0.39 2.86 -0.77 -3.29 114.93 114.18 2k0f h MET 68 Ca -0.01 -0.09 -0.24 0.00 -2.06 0.00 0.00 59.70 57.30 2k0f h MET 68 Cb 0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 68 CO 0.01 0.69 -1.12 0.00 1.06 0.00 0.00 176.91 177.55 2k0f h ALA 69 N 1.29 0.22 -2.41 6.32 0.00 -1.61 -3.45 119.26 119.62 2k0f h ALA 69 Ca -0.01 -0.88 -0.50 0.00 0.00 0.00 0.00 54.91 53.53 2k0f h ALA 69 Cb 1.08 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 69 CO 0.09 1.06 0.40 -0.98 0.00 0.00 0.00 179.25 179.81 2k0f s ARG 70 N -2.73 2.96 0.22 0.00 1.70 -1.24 -5.07 118.95 114.79 2k0f s ARG 70 Ca -0.02 0.64 0.04 0.00 -0.47 0.00 0.00 55.73 55.92 2k0f s ARG 70 Cb 0.08 -2.02 -0.03 0.00 -0.57 0.00 0.00 34.95 32.42 2k0f s ARG 70 CO 0.86 -1.00 0.34 0.21 -1.08 0.00 0.00 175.30 174.63 2k0f s LYS 71 N -5.23 3.44 0.39 3.89 2.20 -1.26 -4.97 119.74 118.20 2k0f s LYS 71 Ca 0.58 -0.72 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 2k0f s LYS 71 Cb -0.12 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2k0f s LYS 71 CO 0.53 0.45 0.54 -1.64 -0.36 0.00 0.00 175.35 174.87 2k0f s MET 72 N -3.81 2.93 0.70 4.03 -1.94 -1.26 -5.11 119.30 114.85 2k0f s MET 72 Ca 0.34 -1.14 -0.16 0.00 -1.71 0.00 0.00 55.69 53.02 2k0f s MET 72 Cb -0.09 -2.77 0.00 0.00 2.01 0.00 0.00 34.83 33.97 2k0f s MET 72 CO 0.29 -0.16 1.03 1.17 -0.01 0.00 0.00 175.02 177.33 2k0f n LYS 73 N -1.79 0.61 0.00 2.03 4.81 -1.26 -4.60 118.16 117.96 2k0f n LYS 73 Ca 0.05 0.26 0.12 0.00 -0.87 0.00 0.00 58.31 57.88 2k0f n LYS 73 Cb 0.59 -2.27 0.60 0.00 0.02 0.00 0.00 35.03 33.96 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k0f n ASP 74 N -1.71 0.00 0.19 3.14 8.00 -1.26 0.01 116.55 124.92 2k0f n ASP 74 Ca 0.14 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.62 2k0f n ASP 74 Cb 0.49 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 0.65 -0.58 -3.53 1.35 -2.00 -3.03 112.91 105.77 2k0f h THR 75 Ca 0.00 -0.43 -0.10 0.00 -0.55 0.00 0.00 66.41 65.33 2k0f h THR 75 Cb 0.30 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 2k0f h THR 75 CO 0.00 0.08 -0.03 0.44 -0.25 0.00 0.00 175.52 175.76 2k0f h ASP 76 N -0.72 1.02 0.14 5.36 3.32 -1.49 -2.03 116.42 122.02 2k0f h ASP 76 Ca -0.05 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2k0f h ASP 76 Cb 0.50 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2k0f h ASP 76 CO 0.08 1.08 0.00 -1.20 -1.72 0.00 0.00 179.24 177.48 2k0f n SER 77 N -4.17 0.45 -0.07 6.45 7.64 0.10 -1.11 113.62 122.91 2k0f n SER 77 Ca 0.03 0.69 -0.20 0.00 1.01 0.00 0.00 58.87 60.39 2k0f n SER 77 Cb 0.36 -0.75 -0.12 0.00 -1.01 0.00 0.00 64.21 62.68 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k0f h GLU 78 N 0.00 0.05 -0.92 1.43 4.81 -1.24 -3.38 114.58 115.34 2k0f h GLU 78 Ca 0.00 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 78 Cb 0.07 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 2k0f h GLU 78 CO 0.00 1.04 0.59 1.49 -0.73 0.00 0.00 179.01 181.40 2k0f h GLU 79 N -0.83 0.86 -0.78 1.92 4.57 -1.27 -3.23 114.58 115.83 2k0f h GLU 79 Ca -0.28 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2k0f h GLU 79 Cb 1.36 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 2k0f h GLU 79 CO -0.11 0.57 0.51 1.49 -1.18 0.00 0.00 179.01 180.30 2k0f h GLU 80 N 0.89 0.92 0.15 1.92 4.81 -1.28 -1.02 114.58 120.97 2k0f h GLU 80 Ca 0.44 -0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 80 Cb 0.46 -0.21 0.03 0.00 0.63 0.00 0.00 28.75 29.66 2k0f h GLU 80 CO -0.20 0.61 -1.20 0.82 -0.73 0.00 0.00 179.01 178.32 2k0f h ILE 81 N 0.95 1.33 -0.06 2.32 2.04 -1.73 -2.79 117.51 119.56 2k0f h ILE 81 Ca 0.31 -2.50 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 2k0f h ILE 81 Cb 0.06 2.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2k0f h ILE 81 CO -0.09 0.75 0.03 0.03 0.00 0.00 0.00 178.15 178.86 2k0f h ARG 82 N 0.12 0.09 -0.39 2.37 3.08 -1.60 -0.65 114.38 117.40 2k0f h ARG 82 Ca -0.19 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.91 2k0f h ARG 82 Cb 1.90 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.87 2k0f h ARG 82 CO 0.23 0.22 0.01 0.93 -1.07 0.00 0.00 179.97 180.29 2k0f h GLU 83 N -0.05 0.11 -0.69 0.04 4.39 -1.30 0.36 114.58 117.44 2k0f h GLU 83 Ca 0.02 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb 0.16 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2k0f h GLU 83 CO -0.00 0.08 0.21 0.00 -1.16 0.00 0.00 179.01 178.14 2k0f h ALA 84 N 1.34 1.07 -0.51 3.43 0.00 -1.23 -1.84 119.26 121.52 2k0f h ALA 84 Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 84 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k0f h ALA 84 CO -0.31 0.63 0.08 0.35 0.00 0.00 0.00 179.25 180.00 2k0f h PHE 85 N 1.02 0.84 0.00 0.00 3.57 -0.63 -2.57 116.94 119.17 2k0f h PHE 85 Ca 0.22 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2k0f h PHE 85 Cb 0.29 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2k0f h PHE 85 CO 0.02 0.73 0.00 -0.09 -2.23 0.00 0.00 178.31 176.74 2k0f h ARG 86 N 0.77 0.00 -0.04 1.11 2.43 0.57 0.59 114.38 119.82 2k0f h ARG 86 Ca 0.16 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2k0f h ARG 86 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2k0f h ARG 86 CO 0.01 0.00 -0.18 0.28 -1.51 0.00 0.00 179.97 178.57 2k0f h VAL 87 N 0.00 1.48 0.28 0.20 2.07 -1.24 -3.40 116.25 115.64 2k0f h VAL 87 Ca 0.00 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 2k0f h VAL 87 Cb 0.12 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2k0f h VAL 87 CO 0.00 0.46 -0.13 -0.26 0.02 0.00 0.00 177.57 177.66 2k0f h PHE 88 N -0.40 -0.34 -2.34 1.57 0.04 -1.16 -3.42 116.94 110.88 2k0f h PHE 88 Ca -0.01 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 60.21 2k0f h PHE 88 Cb 0.84 0.11 -0.08 0.00 2.20 0.00 0.00 35.95 39.03 2k0f h PHE 88 CO 0.15 0.00 1.09 0.34 -0.60 0.00 0.00 178.31 179.29 2k0f s ASP 89 N -5.21 6.08 -0.09 2.17 2.15 0.08 -4.60 116.67 117.25 2k0f s ASP 89 Ca -0.12 -0.35 -0.18 0.00 0.43 0.00 0.00 52.55 52.33 2k0f s ASP 89 Cb 0.01 -2.56 -0.15 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.42 -1.89 0.63 0.50 -0.17 0.00 0.00 175.17 174.67 2k0f h LYS 90 N 10.52 -0.11 0.40 4.34 1.63 -1.82 -3.41 116.57 128.13 2k0f h LYS 90 Ca -0.28 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2k0f h LYS 90 Cb 1.06 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2k0f h LYS 90 CO 1.27 0.37 -0.19 0.38 -3.45 0.00 0.00 179.45 177.82 2k0f h ASP 91 N -0.94 -0.46 0.00 4.20 3.04 -1.94 -3.48 116.42 116.85 2k0f h ASP 91 Ca -0.01 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 2k0f h ASP 91 Cb 0.52 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 2k0f h ASP 91 CO 0.02 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 2k0f n GLY 92 N -0.79 -0.08 0.16 7.15 0.00 -1.26 -5.07 105.19 105.30 2k0f n GLY 92 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 0.87 0.00 1.61 7.08 -1.93 -3.48 115.58 119.73 2k0f h ASN 93 Ca 0.00 -0.86 0.00 0.00 -3.08 0.00 0.00 56.30 52.36 2k0f h ASN 93 Cb 0.00 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 35.96 2k0f h ASN 93 CO 0.00 1.66 0.00 0.61 -2.08 0.00 0.00 177.43 177.62 2k0f n GLY 94 N 1.54 1.31 2.76 9.14 0.00 -1.26 -5.11 105.19 113.56 2k0f n GLY 94 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 0.42 -0.33 1.61 1.51 -1.26 -3.65 117.35 113.65 2k0f s TYR 95 Ca 0.00 -0.01 -0.26 0.00 -1.01 0.00 0.00 57.07 55.79 2k0f s TYR 95 Cb 0.00 -0.62 0.01 0.00 -0.11 0.00 0.00 41.96 41.24 2k0f s TYR 95 CO 0.00 -0.24 0.91 0.42 -1.11 0.00 0.00 175.55 175.53 2k0f s ILE 96 N 1.77 4.65 0.47 2.71 1.01 0.11 -4.90 121.20 127.03 2k0f s ILE 96 Ca 0.01 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.07 2k0f s ILE 96 Cb -0.13 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.09 2k0f s ILE 96 CO -0.04 -0.41 0.64 -0.94 0.00 0.00 0.00 174.94 174.20 2k0f s SER 97 N 1.72 5.48 0.06 3.58 1.04 -1.26 -1.22 113.70 123.09 2k0f s SER 97 Ca 0.38 -0.46 0.27 0.00 0.48 0.00 0.00 55.95 56.62 2k0f s SER 97 Cb -0.13 -0.48 0.98 0.00 0.10 0.00 0.00 66.02 66.50 2k0f s SER 97 CO 0.15 -0.94 1.79 0.00 0.98 0.00 0.00 173.24 175.22 2k0f n ALA 98 N -2.00 2.51 -0.01 5.32 0.00 -1.26 -2.09 120.51 122.98 2k0f n ALA 98 Ca 0.10 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 2k0f n ALA 98 Cb 0.60 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 2k0f n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0f h ALA 99 N 2.85 0.11 -0.16 0.00 0.00 -2.00 -3.25 119.26 116.81 2k0f h ALA 99 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 54.91 53.99 2k0f h ALA 99 Cb 0.57 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2k0f h ALA 99 CO 0.00 0.62 -0.06 0.93 0.00 0.00 0.00 179.25 180.74 2k0f h GLU 100 N -0.48 -0.03 -1.00 0.00 5.08 -1.83 -3.09 114.58 113.23 2k0f h GLU 100 Ca -0.24 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 100 Cb 1.60 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.75 2k0f h GLU 100 CO 0.04 -0.02 0.61 1.25 -1.00 0.00 0.00 179.01 179.89 2k0f h LEU 101 N -0.03 0.75 -0.25 1.33 5.85 -1.54 -0.80 115.31 120.60 2k0f h LEU 101 Ca 0.08 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2k0f h LEU 101 Cb 0.16 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2k0f h LEU 101 CO -0.19 0.27 0.06 0.03 -0.34 0.00 0.00 178.44 178.28 2k0f h ARG 102 N 0.73 0.15 0.00 1.25 3.08 -1.58 -1.19 114.38 116.82 2k0f h ARG 102 Ca 0.56 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.60 2k0f h ARG 102 Cb 0.92 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2k0f h ARG 102 CO -0.35 0.10 -0.01 0.45 -1.07 0.00 0.00 179.97 179.09 2k0f h HIS 103 N 0.16 0.00 -0.27 3.04 3.86 -1.10 -2.24 115.15 118.59 2k0f h HIS 103 Ca 0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2k0f h HIS 103 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2k0f h HIS 103 CO -0.15 0.01 0.03 0.28 0.86 0.00 0.00 177.93 178.96 2k0f h VAL 104 N 0.00 1.24 -0.18 2.45 2.07 -0.33 0.70 116.25 122.21 2k0f h VAL 104 Ca -0.00 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 2k0f h VAL 104 Cb 0.02 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2k0f h VAL 104 CO 0.00 0.27 -0.18 0.24 0.02 0.00 0.00 177.57 177.92 2k0f h MET 105 N 0.27 0.30 0.01 1.57 2.86 -1.23 0.17 114.93 118.88 2k0f h MET 105 Ca 0.08 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 105 Cb 0.37 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2k0f h MET 105 CO 0.01 0.48 -0.62 1.15 1.06 0.00 0.00 176.91 179.00 2k0f h THR 106 N 0.28 1.44 -0.62 2.22 2.02 -0.82 0.50 112.91 117.94 2k0f h THR 106 Ca 0.05 -2.12 -0.09 0.00 0.77 0.00 0.00 66.41 65.02 2k0f h THR 106 Cb 0.49 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 2k0f h THR 106 CO 0.03 0.61 0.04 0.78 0.37 0.00 0.00 175.52 177.35 2k0f h ASN 107 N -0.14 1.02 0.11 4.18 2.35 -0.83 -3.19 115.58 119.09 2k0f h ASN 107 Ca -0.08 -0.27 -0.22 0.00 -0.55 0.00 0.00 56.30 55.18 2k0f h ASN 107 Cb 1.34 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 39.44 2k0f h ASN 107 CO 0.12 1.05 -0.85 -0.07 -1.65 0.00 0.00 177.43 176.04 2k0f h LEU 108 N 0.97 0.70 -0.05 1.61 3.38 -0.96 -3.38 115.31 117.59 2k0f h LEU 108 Ca 0.18 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2k0f h LEU 108 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k0f h LEU 108 CO 0.02 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2k0f n GLY 109 N 0.78 1.18 3.66 0.83 0.00 0.05 -5.04 105.19 106.65 2k0f n GLY 109 Ca -0.07 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.52 4.07 -1.30 1.61 0.41 -0.50 -5.02 118.70 117.45 2k0f s GLU 110 Ca 0.00 -0.27 -0.07 0.00 -0.41 0.00 0.00 54.97 54.22 2k0f s GLU 110 Cb 0.00 -3.51 0.14 0.00 -1.78 0.00 0.00 34.13 28.99 2k0f s GLU 110 CO 0.00 0.09 2.15 1.63 -0.49 0.00 0.00 175.26 178.64 2k0f n LYS 111 N 4.18 4.16 -2.65 1.61 5.02 -1.26 -4.49 118.16 124.73 2k0f n LYS 111 Ca -0.15 -3.50 -0.38 0.00 -2.02 0.00 0.00 58.31 52.25 2k0f n LYS 111 Cb 0.52 -2.76 -0.05 0.00 -0.02 0.00 0.00 35.03 32.72 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 -1.25 4.41 0.85 -0.35 1.02 -1.26 -5.09 118.68 117.02 2k0f s LEU 112 Ca 0.47 2.00 -0.12 0.00 0.02 0.00 0.00 54.13 56.50 2k0f s LEU 112 Cb 0.14 -3.87 0.13 0.00 0.02 0.00 0.00 46.19 42.61 2k0f s LEU 112 CO -0.05 -0.12 1.21 0.42 0.02 0.00 0.00 176.35 177.83 2k0f s THR 113 N -1.43 2.05 0.12 5.49 -4.23 -1.26 -4.87 115.64 111.51 2k0f s THR 113 Ca 0.48 -0.08 -0.22 0.00 -1.18 0.00 0.00 61.69 60.69 2k0f s THR 113 Cb -0.24 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 2k0f s THR 113 CO 0.30 0.00 1.69 0.44 -0.54 0.00 0.00 174.62 176.51 2k0f h ASP 114 N -1.21 -0.31 -0.87 3.99 3.32 -1.99 -1.57 116.42 117.77 2k0f h ASP 114 Ca -0.44 0.06 0.18 0.00 0.02 0.00 0.00 57.03 56.84 2k0f h ASP 114 Cb 1.28 0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.88 2k0f h ASP 114 CO 0.52 -0.14 0.41 -0.08 -1.72 0.00 0.00 179.24 178.23 2k0f h GLU 115 N -0.14 0.50 0.18 3.56 4.81 -1.98 -1.55 114.58 119.97 2k0f h GLU 115 Ca 0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 115 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k0f h GLU 115 CO -0.16 0.33 -0.09 0.93 -0.73 0.00 0.00 179.01 179.29 2k0f h GLU 116 N 0.52 -0.24 -0.97 1.92 5.08 -1.80 -1.88 114.58 117.21 2k0f h GLU 116 Ca 0.50 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 59.07 2k0f h GLU 116 Cb 0.83 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.03 2k0f h GLU 116 CO -0.44 0.14 0.56 0.28 -1.00 0.00 0.00 179.01 178.55 2k0f h VAL 117 N -0.93 0.68 -0.00 3.13 2.07 -1.25 -0.39 116.25 119.57 2k0f h VAL 117 Ca -0.03 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 2k0f h VAL 117 Cb 0.48 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 117 CO 0.04 0.13 -0.81 0.44 0.02 0.00 0.00 177.57 177.39 2k0f h ASP 118 N 0.70 0.06 -0.49 0.57 3.32 -1.33 -2.76 116.42 116.48 2k0f h ASP 118 Ca 0.56 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.61 2k0f h ASP 118 Cb 0.88 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 2k0f h ASP 118 CO -0.40 0.84 0.25 -0.08 -1.72 0.00 0.00 179.24 178.13 2k0f h GLU 119 N 0.03 0.47 0.01 3.56 4.81 -0.75 -2.82 114.58 119.89 2k0f h GLU 119 Ca -0.02 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 119 Cb 1.42 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2k0f h GLU 119 CO 0.11 0.31 -0.05 0.52 -0.73 0.00 0.00 179.01 179.17 2k0f h MET 120 N 0.49 -0.09 -0.28 1.92 2.86 -0.81 -2.37 114.93 116.65 2k0f h MET 120 Ca 0.22 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 120 Cb 0.12 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2k0f h MET 120 CO -0.15 -0.06 0.11 0.82 1.06 0.00 0.00 176.91 178.69 2k0f h ILE 121 N -0.09 0.95 -0.52 -1.22 1.08 -1.48 -1.96 117.51 114.27 2k0f h ILE 121 Ca 0.02 -0.09 -0.07 0.00 -0.39 0.00 0.00 64.86 64.33 2k0f h ILE 121 Cb 0.11 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2k0f h ILE 121 CO -0.05 0.05 0.04 0.03 -0.69 0.00 0.00 178.15 177.52 2k0f h ARG 122 N 0.25 0.86 -0.43 2.37 3.08 -1.40 -2.62 114.38 116.49 2k0f h ARG 122 Ca 0.12 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 2k0f h ARG 122 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2k0f h ARG 122 CO -0.11 0.83 -0.10 1.49 -1.07 0.00 0.00 179.97 181.01 2k0f h GLU 123 N 0.80 0.76 0.05 0.04 4.22 -1.08 -3.13 114.58 116.24 2k0f h GLU 123 Ca 0.16 -0.24 -0.26 0.00 0.08 0.00 0.00 59.36 59.09 2k0f h GLU 123 Cb 0.43 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 123 CO 0.02 0.83 -1.08 0.00 -2.18 0.00 0.00 179.01 176.60 2k0f h ALA 124 N 1.20 0.18 -2.19 2.92 0.00 -1.40 -3.45 119.26 116.51 2k0f h ALA 124 Ca 0.12 -0.74 -0.56 0.00 0.00 0.00 0.00 54.91 53.72 2k0f h ALA 124 Cb 0.57 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 124 CO 0.04 0.77 1.23 -3.47 0.00 0.00 0.00 179.25 177.81 2k0f n ASP 125 N -3.76 3.83 -0.10 0.00 2.03 -0.99 -4.89 116.55 112.67 2k0f n ASP 125 Ca -0.10 0.83 -0.14 0.00 0.52 0.00 0.00 54.79 55.91 2k0f n ASP 125 Cb 0.91 -1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.78 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 5.72 1.49 0.15 5.18 5.41 -1.26 -4.63 119.36 131.41 2k0f n ILE 126 Ca 0.22 0.04 0.03 0.00 1.00 0.00 0.00 62.75 64.03 2k0f n ILE 126 Cb 0.38 -2.23 0.39 0.00 -0.71 0.00 0.00 39.64 37.46 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 0.15 0.00 4.38 3.04 -1.94 -3.47 116.42 117.57 2k0f h ASP 127 Ca -0.18 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 2k0f h ASP 127 Cb 1.03 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.28 2k0f h ASP 127 CO -0.11 0.37 0.00 0.61 -2.04 0.00 0.00 179.24 178.07 2k0f n GLY 128 N -0.76 1.72 0.14 7.15 0.00 -1.26 -5.01 105.19 107.16 2k0f n GLY 128 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 0.72 0.00 1.61 2.03 -1.95 -3.49 116.42 115.35 2k0f h ASP 129 Ca 0.00 -0.74 0.00 0.00 -0.73 0.00 0.00 57.03 55.56 2k0f h ASP 129 Cb 0.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.27 2k0f h ASP 129 CO 0.00 1.57 0.00 0.61 -1.03 0.00 0.00 179.24 180.39 2k0f n GLY 130 N 1.57 1.19 3.59 7.15 0.00 -1.26 -5.10 105.19 112.33 2k0f n GLY 130 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.40 2.50 -0.15 1.61 -0.21 -1.26 -4.79 119.66 116.95 2k0f s GLN 131 Ca 0.00 -0.76 -0.25 0.00 0.02 0.00 0.00 55.36 54.37 2k0f s GLN 131 Cb 0.00 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 2k0f s GLN 131 CO 0.00 0.59 0.79 0.08 -2.12 0.00 0.00 175.29 174.63 2k0f s VAL 132 N -1.01 4.92 0.00 1.09 1.01 -0.36 -4.78 120.40 121.28 2k0f s VAL 132 Ca 0.17 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2k0f s VAL 132 Cb -0.11 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2k0f s VAL 132 CO 0.08 0.07 0.00 -0.46 0.00 0.00 0.00 175.10 174.79 2k0f n ASN 133 N 4.96 0.00 0.03 3.32 0.23 -1.26 0.10 115.26 122.63 2k0f n ASN 133 Ca 0.03 -0.20 -0.13 0.00 -0.53 0.00 0.00 54.58 53.76 2k0f n ASN 133 Cb 0.49 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.16 -0.10 -0.43 -2.53 3.20 -1.98 -2.84 116.97 112.12 2k0f h TYR 134 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k0f h TYR 134 Cb 0.00 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2k0f h TYR 134 CO 0.00 0.37 0.27 0.93 -1.64 0.00 0.00 178.16 178.09 2k0f h GLU 135 N -0.63 0.57 -0.60 1.82 5.08 -1.95 0.48 114.58 119.35 2k0f h GLU 135 Ca -0.01 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 135 Cb 0.52 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 135 CO 0.02 0.40 0.42 0.93 -1.00 0.00 0.00 179.01 179.78 2k0f h GLU 136 N 0.57 0.14 0.03 2.33 5.08 -1.93 -3.07 114.58 117.73 2k0f h GLU 136 Ca 0.16 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 136 Cb -0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2k0f h GLU 136 CO -0.03 0.09 -0.01 0.35 -1.00 0.00 0.00 179.01 178.41 2k0f h PHE 137 N 0.14 -0.04 -0.73 4.33 3.57 -0.54 -3.38 116.94 120.29 2k0f h PHE 137 Ca 0.29 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.88 2k0f h PHE 137 Cb 0.94 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 137 CO -0.00 -0.02 0.39 0.28 -2.23 0.00 0.00 178.31 176.72 2k0f h VAL 138 N -0.94 0.88 0.12 1.41 2.07 -0.23 -3.17 116.25 116.39 2k0f h VAL 138 Ca -0.00 -0.23 -0.28 0.00 0.82 0.00 0.00 66.70 67.01 2k0f h VAL 138 Cb 0.03 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2k0f h VAL 138 CO 0.01 0.12 -1.22 -0.61 0.02 0.00 0.00 177.57 175.89 2k0f h GLN 139 N 0.66 0.39 -0.60 1.57 5.75 -1.76 -1.99 115.11 119.12 2k0f h GLN 139 Ca 0.36 -0.58 0.07 0.00 -0.15 0.00 0.00 58.65 58.34 2k0f h GLN 139 Cb 0.35 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 29.04 2k0f h GLN 139 CO -0.25 1.25 0.29 1.98 -2.65 0.00 0.00 178.83 179.45 2k0f h MET 140 N 0.14 0.51 -0.01 1.69 4.05 -1.73 -3.27 114.93 116.32 2k0f h MET 140 Ca -0.15 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.06 2k0f h MET 140 Cb 1.92 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.59 2k0f h MET 140 CO 0.21 0.34 -0.82 0.52 0.23 0.00 0.00 176.91 177.39 2k0f h MET 141 N 0.53 0.15 -0.00 0.39 2.86 -1.42 -3.52 114.93 113.90 2k0f h MET 141 Ca 0.28 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 141 Cb 0.26 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2k0f h MET 141 CO -0.23 0.89 0.00 0.25 1.06 0.00 0.00 176.91 178.88