#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 0.52 0.00 -2.82 4.11 -2.05 -0.57 114.58 113.77 2k0f h GLU 2 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2k0f h GLU 2 Cb 0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2k0f h GLU 2 CO 0.00 0.34 -0.15 1.05 0.07 0.00 0.00 179.01 180.32 2k0f h GLU 3 N 0.54 0.00 0.07 1.06 9.09 -2.06 -2.07 114.58 121.21 2k0f h GLU 3 Ca 0.53 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.65 2k0f h GLU 3 Cb 1.14 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.22 2k0f h GLU 3 CO -0.27 0.15 -1.56 0.37 0.05 0.00 0.00 179.01 177.75 2k0f h GLN 4 N 0.00 0.15 -0.52 1.06 4.15 -1.59 -2.71 115.11 115.65 2k0f h GLN 4 Ca -0.00 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.10 2k0f h GLN 4 Cb 0.36 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 2k0f h GLN 4 CO 0.02 0.95 0.12 0.82 -1.93 0.00 0.00 178.83 178.81 2k0f h ILE 5 N 0.04 1.22 -0.62 2.39 2.04 -1.20 -2.25 117.51 119.13 2k0f h ILE 5 Ca -0.24 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 64.84 2k0f h ILE 5 Cb 1.99 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 2k0f h ILE 5 CO 0.13 0.30 0.41 0.00 0.00 0.00 0.00 178.15 178.99 2k0f h ALA 6 N 1.36 1.66 0.00 1.87 0.00 -1.41 0.01 119.26 122.74 2k0f h ALA 6 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 6 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k0f h ALA 6 CO -0.00 0.27 0.00 1.05 0.00 0.00 0.00 179.25 180.57 2k0f h GLU 7 N 0.74 0.00 0.10 0.00 4.11 -1.07 -2.09 114.58 116.37 2k0f h GLU 7 Ca 0.25 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.37 2k0f h GLU 7 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 7 CO -0.07 0.00 -1.57 0.74 0.07 0.00 0.00 179.01 178.19 2k0f h PHE 8 N 0.00 0.39 -0.36 2.06 0.04 -1.46 -3.31 116.94 114.29 2k0f h PHE 8 Ca 0.00 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.44 2k0f h PHE 8 Cb 0.93 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2k0f h PHE 8 CO 0.00 1.36 0.03 -0.22 -0.60 0.00 0.00 178.31 178.88 2k0f h LYS 9 N 0.06 0.62 -0.00 1.51 1.63 -0.89 -3.08 116.57 116.42 2k0f h LYS 9 Ca -0.25 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2k0f h LYS 9 Cb 2.01 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.57 2k0f h LYS 9 CO 0.15 0.71 -0.06 0.39 -3.45 0.00 0.00 179.45 177.19 2k0f n GLU 10 N -4.52 0.71 0.07 1.90 1.02 -0.80 -1.58 120.64 117.44 2k0f n GLU 10 Ca -0.01 -0.17 -0.21 0.00 -0.02 0.00 0.00 57.16 56.74 2k0f n GLU 10 Cb 0.25 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 2k0f n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0f h ALA 11 N 3.65 -0.04 -0.26 0.62 0.00 -1.63 -3.31 119.26 118.29 2k0f h ALA 11 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 11 Cb 0.30 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 11 CO 0.00 0.53 0.11 0.35 0.00 0.00 0.00 179.25 180.24 2k0f h PHE 12 N -0.00 0.38 -0.89 0.00 3.57 -1.20 -2.96 116.94 115.84 2k0f h PHE 12 Ca -0.16 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 12 Cb 1.75 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 2k0f h PHE 12 CO 0.15 0.38 0.61 0.77 -2.23 0.00 0.00 178.31 177.99 2k0f h SER 13 N 0.27 0.22 0.30 0.41 0.02 -1.60 0.18 113.55 113.35 2k0f h SER 13 Ca 0.09 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 13 Cb 0.15 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2k0f h SER 13 CO -0.01 0.08 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.27 2k0f h LEU 14 N 0.22 0.18 0.01 5.07 3.38 -1.61 -3.05 115.31 119.52 2k0f h LEU 14 Ca 0.45 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 58.11 2k0f h LEU 14 Cb 1.40 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2k0f h LEU 14 CO -0.11 0.60 -1.23 -0.26 0.09 0.00 0.00 178.44 177.53 2k0f h PHE 15 N 0.15 0.03 -0.28 1.13 -1.00 -1.38 -3.41 116.94 112.18 2k0f h PHE 15 Ca 0.01 -0.02 -0.69 0.00 2.81 0.00 0.00 57.97 60.07 2k0f h PHE 15 Cb 0.82 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 2k0f h PHE 15 CO 0.01 1.48 3.38 -3.47 -1.61 0.00 0.00 178.31 178.10 2k0f n ASP 16 N -4.38 7.56 0.02 2.17 2.03 0.50 -4.73 116.55 119.71 2k0f n ASP 16 Ca -0.31 -2.75 0.03 0.00 0.52 0.00 0.00 54.79 52.29 2k0f n ASP 16 Cb 0.69 -1.54 0.40 0.00 -0.72 0.00 0.00 41.12 39.96 2k0f n ASP 16 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2k0f h LYS 17 N 5.15 0.50 0.47 -0.67 1.57 -1.77 -3.17 116.57 118.65 2k0f h LYS 17 Ca 0.77 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.47 2k0f h LYS 17 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k0f h LYS 17 CO 1.75 0.39 -0.23 0.38 -0.57 0.00 0.00 179.45 181.17 2k0f h ASP 18 N 0.51 -0.53 0.00 0.86 2.03 -1.88 -3.50 116.42 113.90 2k0f h ASP 18 Ca 0.13 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2k0f h ASP 18 Cb 0.05 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 2k0f h ASP 18 CO -0.02 -0.11 0.00 0.61 -1.03 0.00 0.00 179.24 178.69 2k0f n GLY 19 N 0.12 1.33 0.08 7.15 0.00 -1.20 -5.08 105.19 107.59 2k0f n GLY 19 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.96 -3.49 116.42 114.60 2k0f h ASP 20 Ca 0.00 -0.63 0.00 0.00 -0.73 0.00 0.00 57.03 55.67 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 1.12 0.00 0.61 -1.03 0.00 0.00 179.24 179.94 2k0f n GLY 21 N 1.56 0.80 3.22 7.15 0.00 -1.26 -5.14 105.19 111.52 2k0f n GLY 21 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.29 1.27 -0.11 2.61 -4.23 -1.26 -3.73 115.64 109.91 2k0f s THR 22 Ca 0.00 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 2k0f s THR 22 Cb 0.00 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 2k0f s THR 22 CO 0.00 -0.32 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.94 2k0f s ILE 23 N -1.74 2.50 0.52 2.99 1.01 -0.49 -4.83 121.20 121.16 2k0f s ILE 23 Ca 0.05 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.92 2k0f s ILE 23 Cb -0.07 -2.00 0.05 0.00 0.01 0.00 0.00 42.46 40.45 2k0f s ILE 23 CO 0.03 0.55 0.66 0.42 0.00 0.00 0.00 174.94 176.59 2k0f s THR 24 N 0.32 2.31 0.31 2.92 -4.23 -1.26 -2.75 115.64 113.26 2k0f s THR 24 Ca -0.15 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 2k0f s THR 24 Cb -0.17 -2.40 0.31 0.00 1.34 0.00 0.00 72.50 71.58 2k0f s THR 24 CO 0.07 0.00 1.67 0.71 -0.54 0.00 0.00 174.62 176.53 2k0f h THR 25 N 0.43 0.37 0.26 3.99 1.35 -1.89 -2.18 112.91 115.23 2k0f h THR 25 Ca -0.34 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2k0f h THR 25 Cb 1.29 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 2k0f h THR 25 CO 0.45 0.06 -0.27 0.11 -0.25 0.00 0.00 175.52 175.62 2k0f h LYS 26 N 0.32 -0.54 0.00 4.72 1.79 -1.98 0.15 116.57 121.03 2k0f h LYS 26 Ca 0.62 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 2k0f h LYS 26 Cb 1.28 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 2k0f h LYS 26 CO -0.59 -0.36 0.00 0.39 -1.08 0.00 0.00 179.45 177.80 2k0f n GLU 27 N -5.39 0.07 -0.06 3.15 1.02 -1.10 -1.74 120.64 116.59 2k0f n GLU 27 Ca -0.09 0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 2k0f n GLU 27 Cb 0.30 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 2k0f n GLU 27 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k0f h LEU 28 N 0.00 0.00 -0.99 -4.62 5.85 -1.28 -3.36 115.31 110.91 2k0f h LEU 28 Ca 0.00 -0.56 0.17 0.00 0.84 0.00 0.00 57.88 58.33 2k0f h LEU 28 Cb 0.50 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 28 CO 0.00 0.81 -0.34 1.23 -0.34 0.00 0.00 178.44 179.80 2k0f h GLY 29 N -1.00 0.31 0.69 3.75 0.00 -0.29 0.24 103.07 106.77 2k0f h GLY 29 Ca -0.01 0.45 0.10 0.00 0.00 0.00 0.00 47.33 47.87 2k0f h GLY 29 CO -0.01 -0.27 0.57 -0.84 0.00 0.00 0.00 176.54 176.00 2k0f h THR 30 N -0.00 0.94 0.25 4.70 2.02 -1.58 0.69 112.91 119.93 2k0f h THR 30 Ca 0.39 -0.29 -0.33 0.00 0.77 0.00 0.00 66.41 66.95 2k0f h THR 30 Cb 0.64 0.02 0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2k0f h THR 30 CO -1.00 0.15 -1.47 0.58 0.37 0.00 0.00 175.52 174.16 2k0f h VAL 31 N 0.85 1.27 -0.75 3.16 2.07 -1.39 -2.81 116.25 118.64 2k0f h VAL 31 Ca 0.42 -2.68 -0.05 0.00 0.82 0.00 0.00 66.70 65.21 2k0f h VAL 31 Cb 0.46 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 2k0f h VAL 31 CO -0.18 0.81 0.28 0.24 0.02 0.00 0.00 177.57 178.74 2k0f h MET 32 N 0.11 1.13 0.00 1.57 2.86 -0.28 -2.90 114.93 117.42 2k0f h MET 32 Ca -0.26 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 2k0f h MET 32 Cb 2.14 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.62 2k0f h MET 32 CO 0.26 0.93 -0.05 0.00 1.06 0.00 0.00 176.91 179.11 2k0f h ARG 33 N 1.10 0.00 0.05 1.72 3.08 -0.87 0.40 114.38 119.85 2k0f h ARG 33 Ca 0.25 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 2k0f h ARG 33 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2k0f h ARG 33 CO -0.02 0.05 -0.53 0.77 -1.07 0.00 0.00 179.97 179.17 2k0f h SER 34 N 0.00 0.17 -0.34 7.04 0.02 -1.39 -3.07 113.55 115.98 2k0f h SER 34 Ca -0.00 -0.91 0.02 0.00 -0.84 0.00 0.00 61.79 60.06 2k0f h SER 34 Cb 0.58 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2k0f h SER 34 CO 0.01 1.23 0.17 -0.07 -1.14 0.00 0.00 176.83 177.03 2k0f h LEU 35 N -0.76 0.25 0.00 5.07 3.38 -1.42 -3.47 115.31 118.36 2k0f h LEU 35 Ca -0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k0f h LEU 35 Cb 1.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k0f h LEU 35 CO 0.02 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2k0f n GLY 36 N -1.20 0.88 3.17 0.83 0.00 0.12 -5.11 105.19 103.88 2k0f n GLY 36 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.82 -0.54 1.61 2.00 -0.26 -4.95 119.66 119.33 2k0f s GLN 37 Ca 0.00 -0.67 0.04 0.00 -2.00 0.00 0.00 55.36 52.73 2k0f s GLN 37 Cb 0.00 -1.62 0.14 0.00 0.80 0.00 0.00 33.01 32.33 2k0f s GLN 37 CO 0.00 0.31 0.30 1.21 -0.50 0.00 0.00 175.29 176.61 2k0f s ASN 38 N -0.13 4.36 1.02 6.67 2.47 -1.26 -3.36 114.94 124.70 2k0f s ASN 38 Ca -0.00 -3.13 -0.17 0.00 0.42 0.00 0.00 52.86 49.97 2k0f s ASN 38 Cb -0.11 -1.61 0.23 0.00 -1.45 0.00 0.00 41.25 38.31 2k0f s ASN 38 CO 0.01 -0.21 1.31 -2.16 -3.72 0.00 0.00 177.10 172.34 2k0f s PRO 39 N -0.45 0.19 0.71 0.43 0.04 -1.26 -5.12 135.00 129.54 2k0f s PRO 39 Ca 0.18 -0.44 0.02 0.00 0.04 0.00 0.00 61.00 60.80 2k0f s PRO 39 Cb -0.23 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.65 2k0f s PRO 39 CO -0.03 -2.71 0.98 -0.08 0.04 0.00 0.00 177.00 175.20 2k0f s THR 40 N -3.81 2.02 -0.09 1.26 -1.32 -1.26 -5.01 115.64 107.42 2k0f s THR 40 Ca 0.75 -0.70 -0.27 0.00 -1.21 0.00 0.00 61.69 60.26 2k0f s THR 40 Cb -0.03 -2.32 -0.23 0.00 -1.51 0.00 0.00 72.50 68.41 2k0f s THR 40 CO 0.54 0.00 0.94 -0.08 -2.21 0.00 0.00 174.62 173.81 2k0f h GLU 41 N -0.44 -0.01 -0.94 7.08 4.81 -1.98 -2.65 114.58 120.45 2k0f h GLU 41 Ca -0.33 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 41 Cb 1.27 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.53 2k0f h GLU 41 CO 0.38 0.77 0.49 0.00 -0.73 0.00 0.00 179.01 179.92 2k0f h ALA 42 N 0.16 1.59 -0.18 2.92 0.00 -1.98 0.85 119.26 122.62 2k0f h ALA 42 Ca -0.00 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 42 Cb 0.78 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2k0f h ALA 42 CO 0.00 -0.30 -0.22 1.49 0.00 0.00 0.00 179.25 180.22 2k0f h GLU 43 N 0.49 0.32 -0.06 0.00 4.81 -1.95 -2.88 114.58 115.31 2k0f h GLU 43 Ca 0.60 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.58 2k0f h GLU 43 Cb 1.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2k0f h GLU 43 CO -0.50 0.53 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.65 2k0f h LEU 44 N 0.29 0.22 -1.04 1.64 3.38 -1.00 -3.30 115.31 115.49 2k0f h LEU 44 Ca 0.05 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2k0f h LEU 44 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2k0f h LEU 44 CO 0.04 0.76 -0.40 -0.61 0.09 0.00 0.00 178.44 178.31 2k0f h GLN 45 N 0.14 0.00 -0.12 1.13 4.15 -0.83 -1.82 115.11 117.76 2k0f h GLN 45 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2k0f h GLN 45 Cb 1.08 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 2k0f h GLN 45 CO 0.09 0.40 0.02 0.22 -1.93 0.00 0.00 178.83 177.64 2k0f h ASP 46 N 0.00 0.19 -0.34 -0.69 3.58 -1.59 -0.21 116.42 117.37 2k0f h ASP 46 Ca -0.00 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2k0f h ASP 46 Cb 0.85 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2k0f h ASP 46 CO 0.05 0.39 0.19 0.24 -2.88 0.00 0.00 179.24 177.23 2k0f h MET 47 N -0.02 0.46 -0.18 0.28 2.86 -1.60 -2.12 114.93 114.60 2k0f h MET 47 Ca 0.04 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 47 Cb 0.28 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2k0f h MET 47 CO 0.00 0.37 -0.01 0.82 1.06 0.00 0.00 176.91 179.15 2k0f h ILE 48 N 0.43 1.27 0.00 -1.22 1.08 -1.28 -2.96 117.51 114.82 2k0f h ILE 48 Ca 0.12 -0.91 -0.08 0.00 -0.39 0.00 0.00 64.86 63.59 2k0f h ILE 48 Cb 0.03 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2k0f h ILE 48 CO -0.02 0.28 -0.39 0.78 -0.69 0.00 0.00 178.15 178.10 2k0f h ASN 49 N 0.08 0.00 -0.38 1.72 2.35 -1.08 -2.34 115.58 115.93 2k0f h ASN 49 Ca 0.05 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2k0f h ASN 49 Cb 0.42 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 2k0f h ASN 49 CO 0.01 0.39 0.12 -0.08 -1.65 0.00 0.00 177.43 176.22 2k0f h GLU 50 N 0.00 0.25 0.00 0.81 4.57 -1.28 -3.16 114.58 115.77 2k0f h GLU 50 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 50 Cb 0.76 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2k0f h GLU 50 CO 0.05 0.17 -0.04 -0.39 -1.18 0.00 0.00 179.01 177.62 2k0f h VAL 51 N 0.26 0.00 -3.87 0.32 -1.51 -1.36 -3.45 116.25 106.64 2k0f h VAL 51 Ca 0.17 -0.95 -0.50 0.00 -1.23 0.00 0.00 66.70 64.20 2k0f h VAL 51 Cb 0.17 1.92 0.03 0.00 -2.13 0.00 0.00 31.29 31.28 2k0f h VAL 51 CO -0.19 0.00 0.48 -0.62 -1.23 0.00 0.00 177.57 176.01 2k0f s ASP 52 N -6.00 6.98 0.00 4.19 2.15 -0.90 -4.90 116.67 118.20 2k0f s ASP 52 Ca 0.07 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.31 2k0f s ASP 52 Cb 0.06 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 52 CO 0.67 -0.35 0.00 0.00 -0.17 0.00 0.00 175.17 175.32 2k0f n ALA 53 N 0.68 0.67 -0.32 3.66 0.00 -1.26 -4.89 120.51 119.04 2k0f n ALA 53 Ca 0.01 -0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.39 2k0f n ALA 53 Cb 0.46 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.22 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 0.00 0.79 0.00 0.00 3.04 -1.93 -3.45 116.42 114.87 2k0f h ASP 54 Ca 0.00 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2k0f h ASP 54 Cb 0.00 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.19 2k0f h ASP 54 CO 0.00 0.39 0.00 0.61 -2.04 0.00 0.00 179.24 178.20 2k0f n GLY 55 N -1.38 0.72 0.15 7.15 0.00 -1.26 -5.01 105.19 105.56 2k0f n GLY 55 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.07 -1.99 -3.46 115.58 110.67 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 57 N -0.05 0.49 3.06 9.14 0.00 -1.26 -5.02 105.19 111.56 2k0f n GLY 57 Ca 0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.57 -0.16 2.61 -4.23 -1.26 -4.80 115.64 106.37 2k0f s THR 58 Ca 0.00 -1.07 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2k0f s THR 58 Cb 0.00 -0.63 -0.00 0.00 1.34 0.00 0.00 72.50 73.21 2k0f s THR 58 CO 0.00 -0.36 1.07 -0.51 -0.54 0.00 0.00 174.62 174.28 2k0f s ILE 59 N -1.34 4.63 0.37 2.99 2.07 -1.11 -4.82 121.20 123.99 2k0f s ILE 59 Ca -0.09 1.94 0.07 0.00 -1.41 0.00 0.00 60.65 61.16 2k0f s ILE 59 Cb -0.10 -4.25 -0.01 0.00 0.13 0.00 0.00 42.46 38.23 2k0f s ILE 59 CO 0.00 -0.09 0.42 -1.81 -1.91 0.00 0.00 174.94 171.55 2k0f s ASP 60 N 1.27 5.54 0.17 4.50 1.11 -1.26 -1.40 116.67 126.61 2k0f s ASP 60 Ca 0.48 -0.42 -0.13 0.00 0.18 0.00 0.00 52.55 52.66 2k0f s ASP 60 Cb -0.18 -0.93 0.07 0.00 1.07 0.00 0.00 42.92 42.95 2k0f s ASP 60 CO 0.13 -0.51 1.75 0.15 1.18 0.00 0.00 175.17 177.87 2k0f h PHE 61 N 0.98 0.84 -0.08 4.23 3.57 -1.97 -2.14 116.94 122.37 2k0f h PHE 61 Ca -0.44 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 60.89 2k0f h PHE 61 Cb 1.26 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2k0f h PHE 61 CO 0.47 0.65 -0.53 -1.35 -2.23 0.00 0.00 178.31 175.33 2k0f h PRO 62 N 0.78 0.23 0.57 6.41 0.11 -1.97 0.35 132.00 138.47 2k0f h PRO 62 Ca 0.20 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 2k0f h PRO 62 Cb 0.14 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2k0f h PRO 62 CO -0.02 0.70 -0.42 0.93 -0.21 0.00 0.00 178.00 178.97 2k0f h GLU 63 N 0.18 -0.92 -0.54 1.05 5.08 -1.91 -1.32 114.58 116.20 2k0f h GLU 63 Ca 0.00 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 63 Cb 0.99 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 2k0f h GLU 63 CO 0.08 -0.61 -0.39 0.35 -1.00 0.00 0.00 179.01 177.44 2k0f h PHE 64 N -0.95 -1.11 -0.58 4.33 3.57 -1.15 -1.21 116.94 119.84 2k0f h PHE 64 Ca -0.07 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2k0f h PHE 64 Cb 0.79 0.56 -0.11 0.00 2.79 0.00 0.00 35.95 39.98 2k0f h PHE 64 CO -0.14 -0.41 -0.17 1.25 -2.23 0.00 0.00 178.31 176.61 2k0f h LEU 65 N -0.22 -0.62 -0.32 0.59 5.85 -1.01 0.38 115.31 119.96 2k0f h LEU 65 Ca 0.19 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 2k0f h LEU 65 Cb 0.56 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2k0f h LEU 65 CO -0.65 -0.21 0.11 0.74 -0.34 0.00 0.00 178.44 178.08 2k0f h THR 66 N -0.03 1.20 0.00 1.05 2.02 -0.87 -1.86 112.91 114.41 2k0f h THR 66 Ca 0.27 -0.62 -0.21 0.00 0.77 0.00 0.00 66.41 66.63 2k0f h THR 66 Cb 0.45 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2k0f h THR 66 CO -0.61 0.21 -1.25 0.00 0.37 0.00 0.00 175.52 174.24 2k0f h MET 67 N 0.36 0.00 0.08 6.66 -0.00 -0.20 -3.27 114.93 118.56 2k0f h MET 67 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.80 2k0f h MET 67 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2k0f h MET 67 CO -0.01 0.59 -0.04 0.52 -0.00 0.00 0.00 176.91 177.98 2k0f h MET 68 N 0.00 -0.10 -0.02 -0.10 2.07 -1.07 -3.39 114.93 112.33 2k0f h MET 68 Ca -0.13 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 68 Cb 1.75 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.50 2k0f h MET 68 CO 0.08 0.41 0.00 0.00 1.07 0.00 0.00 176.91 178.47 2k0f n ALA 69 N -2.62 2.60 -1.99 6.32 0.00 -0.70 -4.75 120.51 119.37 2k0f n ALA 69 Ca -0.07 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2k0f n ALA 69 Cb 0.27 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 2k0f n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k0f s ARG 70 N -1.98 3.65 0.76 0.00 1.70 -1.23 -5.07 118.95 116.78 2k0f s ARG 70 Ca 0.29 0.62 -0.10 0.00 -0.47 0.00 0.00 55.73 56.08 2k0f s ARG 70 Cb 0.14 -2.18 0.06 0.00 -0.57 0.00 0.00 34.95 32.40 2k0f s ARG 70 CO 0.23 -0.40 1.11 0.21 -1.08 0.00 0.00 175.30 175.37 2k0f s LYS 71 N -4.81 2.19 0.28 3.89 2.20 -1.26 -5.04 119.74 117.19 2k0f s LYS 71 Ca 0.53 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 56.11 2k0f s LYS 71 Cb -0.11 -2.04 -0.00 0.00 -1.51 0.00 0.00 37.83 34.18 2k0f s LYS 71 CO 0.47 -1.38 0.47 0.00 -0.36 0.00 0.00 175.35 174.55 2k0f s MET 72 N -5.43 1.67 0.86 4.03 0.23 -1.26 -5.14 119.30 114.26 2k0f s MET 72 Ca 0.61 -1.44 -0.12 0.00 -1.03 0.00 0.00 55.69 53.70 2k0f s MET 72 Cb -0.11 0.46 0.11 0.00 -1.53 0.00 0.00 34.83 33.76 2k0f s MET 72 CO 0.48 -0.69 1.17 -1.59 -2.03 0.00 0.00 175.02 172.35 2k0f s LYS 73 N -3.64 1.54 0.14 3.16 -2.85 -1.26 -4.92 119.74 111.92 2k0f s LYS 73 Ca 0.26 0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 55.26 2k0f s LYS 73 Cb -0.00 -1.90 0.01 0.00 -2.06 0.00 0.00 37.83 33.88 2k0f s LYS 73 CO 0.13 -1.90 1.65 -0.44 0.10 0.00 0.00 175.35 174.89 2k0f h ASP 74 N -1.28 0.70 -0.26 0.03 5.19 -2.02 -3.22 116.42 115.56 2k0f h ASP 74 Ca -0.48 -0.23 0.05 0.00 -0.62 0.00 0.00 57.03 55.75 2k0f h ASP 74 Cb 1.33 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.60 2k0f h ASP 74 CO 0.63 0.75 -0.07 0.71 -3.12 0.00 0.00 179.24 178.15 2k0f h THR 75 N 0.62 0.74 0.00 0.35 1.35 -1.99 -2.10 112.91 111.88 2k0f h THR 75 Ca 0.15 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2k0f h THR 75 Cb 0.33 0.74 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2k0f h THR 75 CO 0.00 0.00 -0.01 0.44 -0.25 0.00 0.00 175.52 175.70 2k0f h ASP 76 N 0.00 0.00 0.00 5.36 3.32 -1.95 -2.51 116.42 120.64 2k0f h ASP 76 Ca 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2k0f h ASP 76 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2k0f h ASP 76 CO -0.27 0.01 -0.53 -1.28 -1.72 0.00 0.00 179.24 175.45 2k0f h SER 77 N 0.00 0.00 0.23 6.45 0.87 -1.52 -3.03 113.55 116.55 2k0f h SER 77 Ca -0.00 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2k0f h SER 77 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2k0f h SER 77 CO 0.00 1.05 -0.03 -0.08 -0.53 0.00 0.00 176.83 177.24 2k0f h GLU 78 N -1.00 0.00 0.10 2.24 4.81 -1.35 0.55 114.58 119.93 2k0f h GLU 78 Ca -0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 78 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k0f h GLU 78 CO -0.07 0.03 -0.05 0.93 -0.73 0.00 0.00 179.01 179.12 2k0f h GLU 79 N 0.00 -0.12 0.01 1.92 5.08 -1.56 -3.22 114.58 116.69 2k0f h GLU 79 Ca -0.00 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 79 Cb 0.15 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k0f h GLU 79 CO 0.00 0.40 -0.95 1.49 -1.00 0.00 0.00 179.01 178.95 2k0f h GLU 80 N -0.81 0.34 -0.30 2.33 4.81 -0.85 -0.63 114.58 119.48 2k0f h GLU 80 Ca -0.01 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 2k0f h GLU 80 Cb 0.58 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2k0f h GLU 80 CO 0.02 1.07 -0.16 0.97 -0.73 0.00 0.00 179.01 180.19 2k0f h ILE 81 N 0.18 1.30 -0.37 2.32 6.09 -1.23 -0.24 117.51 125.56 2k0f h ILE 81 Ca -0.07 -1.27 0.03 0.00 -1.37 0.00 0.00 64.86 62.18 2k0f h ILE 81 Cb 1.59 1.48 -0.03 0.00 0.47 0.00 0.00 36.82 40.33 2k0f h ILE 81 CO 0.16 0.41 0.17 0.03 -3.07 0.00 0.00 178.15 175.85 2k0f h ARG 82 N 0.38 0.34 -0.73 2.19 3.08 -1.55 0.34 114.38 118.43 2k0f h ARG 82 Ca 0.06 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.24 2k0f h ARG 82 Cb 0.69 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.56 2k0f h ARG 82 CO 0.05 0.23 0.23 1.49 -1.07 0.00 0.00 179.97 180.90 2k0f h GLU 83 N 0.35 0.33 0.00 0.04 4.57 -1.02 -2.29 114.58 116.57 2k0f h GLU 83 Ca 0.16 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2k0f h GLU 83 Cb 0.09 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2k0f h GLU 83 CO -0.13 0.22 -0.30 0.00 -1.18 0.00 0.00 179.01 177.63 2k0f h ALA 84 N 1.57 0.87 0.00 2.92 0.00 -0.20 -3.09 119.26 121.33 2k0f h ALA 84 Ca 0.41 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 84 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 84 CO -0.45 0.37 -0.21 0.35 0.00 0.00 0.00 179.25 179.31 2k0f h PHE 85 N 0.00 0.00 -0.68 0.00 3.57 0.03 -1.71 116.94 118.14 2k0f h PHE 85 Ca -0.00 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.11 2k0f h PHE 85 Cb 1.06 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 39.59 2k0f h PHE 85 CO 0.00 0.21 0.49 2.89 -2.23 0.00 0.00 178.31 179.68 2k0f n ARG 86 N -4.20 1.94 0.00 1.11 1.85 -0.90 -2.13 116.66 114.34 2k0f n ARG 86 Ca -0.02 -2.11 0.00 0.00 -1.00 0.00 0.00 57.85 54.72 2k0f n ARG 86 Cb 0.27 -1.83 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f n VAL 87 N -0.49 0.00 -0.09 8.89 0.31 -0.68 -4.78 118.33 121.49 2k0f n VAL 87 Ca 0.42 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.63 2k0f n VAL 87 Cb 1.10 -0.58 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 2k0f n VAL 87 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2k0f h PHE 88 N 0.00 0.52 -2.88 3.52 0.04 -1.50 -3.39 116.94 113.24 2k0f h PHE 88 Ca 0.00 -0.09 -0.54 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 88 Cb 0.87 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.89 2k0f h PHE 88 CO 0.00 0.62 0.85 0.34 -0.60 0.00 0.00 178.31 179.52 2k0f s ASP 89 N -5.97 6.80 -0.09 2.17 -1.08 -0.90 -4.05 116.67 113.55 2k0f s ASP 89 Ca -0.14 2.21 -0.11 0.00 -0.52 0.00 0.00 52.55 53.99 2k0f s ASP 89 Cb 0.08 -2.56 -0.28 0.00 -1.46 0.00 0.00 42.92 38.70 2k0f s ASP 89 CO 0.75 -0.74 0.51 0.50 0.52 0.00 0.00 175.17 176.71 2k0f h LYS 90 N 7.80 0.30 0.13 4.34 3.64 -1.88 -3.37 116.57 127.53 2k0f h LYS 90 Ca -0.39 -0.51 -0.27 0.00 -1.27 0.00 0.00 60.65 58.20 2k0f h LYS 90 Cb 1.19 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2k0f h LYS 90 CO 0.90 1.25 -1.37 0.38 -2.27 0.00 0.00 179.45 178.34 2k0f h ASP 91 N -0.04 0.44 0.00 4.20 3.04 -1.93 -3.49 116.42 118.63 2k0f h ASP 91 Ca -0.37 -0.88 0.00 0.00 -3.24 0.00 0.00 57.03 52.54 2k0f h ASP 91 Cb 1.97 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 40.12 2k0f h ASP 91 CO 0.10 1.61 0.00 0.61 -2.04 0.00 0.00 179.24 179.52 2k0f n GLY 92 N 1.74 1.86 0.00 7.15 0.00 -1.26 -5.00 105.19 109.68 2k0f n GLY 92 Ca -0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 1.61 6.94 -1.26 -4.84 115.26 117.71 2k0f n ASN 93 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 2k0f n ASN 93 Cb 0.00 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 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 0.37 1.03 3.41 4.83 0.00 -1.26 -5.06 105.19 108.51 2k0f n GLY 94 Ca 0.07 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.78 -0.14 1.61 2.02 -1.26 -4.13 117.35 112.67 2k0f s TYR 95 Ca 0.00 1.60 -0.14 0.00 -0.37 0.00 0.00 57.07 58.17 2k0f s TYR 95 Cb 0.00 0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 41.92 2k0f s TYR 95 CO 0.00 -0.41 0.30 0.42 -1.57 0.00 0.00 175.55 174.28 2k0f s ILE 96 N 1.50 5.29 0.28 2.71 1.01 0.13 -4.77 121.20 127.36 2k0f s ILE 96 Ca -0.10 0.56 0.11 0.00 0.00 0.00 0.00 60.65 61.23 2k0f s ILE 96 Cb -0.07 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2k0f s ILE 96 CO -0.15 0.42 -0.17 -0.55 0.00 0.00 0.00 174.94 174.49 2k0f s SER 97 N 0.25 3.72 0.23 3.58 0.15 -1.26 -0.27 113.70 120.11 2k0f s SER 97 Ca 0.17 -0.99 -0.08 0.00 0.70 0.00 0.00 55.95 55.75 2k0f s SER 97 Cb -0.13 -0.37 0.39 0.00 -1.71 0.00 0.00 66.02 64.19 2k0f s SER 97 CO 0.05 0.01 1.66 0.00 1.20 0.00 0.00 173.24 176.16 2k0f h ALA 98 N 2.20 0.76 -0.32 5.45 0.00 -1.94 -2.26 119.26 123.14 2k0f h ALA 98 Ca -0.41 0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 98 Cb 1.26 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2k0f h ALA 98 CO 0.61 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2k0f h ALA 99 N 1.63 0.29 -0.23 0.00 0.00 -1.97 -1.20 119.26 117.77 2k0f h ALA 99 Ca 0.38 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 99 Cb 0.65 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k0f h ALA 99 CO -0.58 -0.40 -0.34 0.93 0.00 0.00 0.00 179.25 178.86 2k0f h GLU 100 N 0.10 0.50 0.13 0.00 5.08 -1.77 0.26 114.58 118.88 2k0f h GLU 100 Ca 0.16 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 100 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 100 CO -0.26 0.78 -0.06 1.25 -1.00 0.00 0.00 179.01 179.72 2k0f h LEU 101 N 0.43 -0.15 -0.25 1.33 5.85 -1.27 -2.47 115.31 118.78 2k0f h LEU 101 Ca 0.05 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 101 Cb 0.80 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2k0f h LEU 101 CO 0.07 -0.04 0.13 -0.09 -0.34 0.00 0.00 178.44 178.16 2k0f h ARG 102 N -0.24 0.35 -0.56 1.25 2.43 -1.05 -2.69 114.38 113.86 2k0f h ARG 102 Ca -0.02 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 102 Cb 0.19 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 2k0f h ARG 102 CO 0.03 0.34 0.14 1.25 -1.51 0.00 0.00 179.97 180.22 2k0f h HIS 103 N 0.28 0.23 -0.07 2.20 2.76 -0.29 0.20 115.15 120.47 2k0f h HIS 103 Ca 0.09 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2k0f h HIS 103 Cb 0.09 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 2k0f h HIS 103 CO -0.03 0.01 0.04 0.28 -1.30 0.00 0.00 177.93 176.93 2k0f h VAL 104 N 0.28 1.04 -0.63 5.26 2.07 -1.50 0.50 116.25 123.28 2k0f h VAL 104 Ca 0.29 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 2k0f h VAL 104 Cb 0.40 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2k0f h VAL 104 CO -0.35 0.04 0.14 0.24 0.02 0.00 0.00 177.57 177.65 2k0f h MET 105 N 0.07 0.99 -0.00 1.57 2.07 -0.79 0.12 114.93 118.95 2k0f h MET 105 Ca 0.02 -0.23 0.03 0.00 -2.07 0.00 0.00 59.70 57.46 2k0f h MET 105 Cb 0.02 -0.14 -0.05 0.00 -1.87 0.00 0.00 31.60 29.56 2k0f h MET 105 CO -0.00 0.88 -0.32 1.15 1.07 0.00 0.00 176.91 179.69 2k0f h THR 106 N 0.94 0.30 0.00 2.22 2.02 -0.44 0.33 112.91 118.29 2k0f h THR 106 Ca 0.20 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 2k0f h THR 106 Cb 0.35 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2k0f h THR 106 CO 0.00 0.00 -0.40 0.78 0.37 0.00 0.00 175.52 176.28 2k0f h ASN 107 N -0.47 0.00 0.85 4.18 2.35 -0.48 -2.64 115.58 119.36 2k0f h ASN 107 Ca 0.06 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 2k0f h ASN 107 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2k0f h ASN 107 CO -0.27 0.40 -0.38 -0.07 -1.65 0.00 0.00 177.43 175.46 2k0f h LEU 108 N 0.00 0.00 0.00 1.61 3.38 -0.76 -3.40 115.31 116.13 2k0f h LEU 108 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 108 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k0f h LEU 108 CO 0.05 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2k0f n GLY 109 N 0.25 0.67 3.28 0.83 0.00 -0.66 -4.76 105.19 104.81 2k0f n GLY 109 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.66 2.78 -0.03 1.61 2.56 0.02 -4.92 118.70 121.37 2k0f s GLU 110 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 54.97 53.81 2k0f s GLU 110 Cb 0.00 -2.27 -0.04 0.00 2.00 0.00 0.00 34.13 33.82 2k0f s GLU 110 CO 0.00 0.32 1.26 0.15 -0.56 0.00 0.00 175.26 176.43 2k0f s LYS 111 N -0.01 4.34 0.30 4.30 1.02 -1.26 -4.18 119.74 124.25 2k0f s LYS 111 Ca -0.08 1.76 0.08 0.00 0.02 0.00 0.00 55.97 57.76 2k0f s LYS 111 Cb -0.15 -3.55 -0.06 0.00 -0.52 0.00 0.00 37.83 33.55 2k0f s LYS 111 CO 0.05 -0.47 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.41 2k0f s LEU 112 N 2.21 2.60 0.20 3.17 1.43 -1.26 -5.11 118.68 121.93 2k0f s LEU 112 Ca 0.58 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.60 2k0f s LEU 112 Cb -0.27 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 2k0f s LEU 112 CO 0.23 -0.25 -0.18 0.42 0.23 0.00 0.00 176.35 176.81 2k0f s THR 113 N -2.81 1.97 0.30 5.49 -4.23 -1.26 -5.06 115.64 110.04 2k0f s THR 113 Ca 0.31 -2.13 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2k0f s THR 113 Cb 0.02 -2.03 0.30 0.00 1.34 0.00 0.00 72.50 72.13 2k0f s THR 113 CO 0.14 -0.41 1.69 0.44 -0.54 0.00 0.00 174.62 175.93 2k0f h ASP 114 N 2.81 0.31 -0.98 3.99 5.19 -2.02 -0.53 116.42 125.20 2k0f h ASP 114 Ca -0.41 0.17 0.16 0.00 -0.62 0.00 0.00 57.03 56.33 2k0f h ASP 114 Cb 1.22 0.15 -0.10 0.00 0.18 0.00 0.00 39.33 40.79 2k0f h ASP 114 CO 0.56 -0.04 0.59 -0.08 -3.12 0.00 0.00 179.24 177.15 2k0f h GLU 115 N 0.37 0.78 -0.27 3.56 4.81 -2.00 -1.61 114.58 120.21 2k0f h GLU 115 Ca 0.58 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.69 2k0f h GLU 115 Cb 1.15 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2k0f h GLU 115 CO -0.56 0.52 -0.16 0.93 -0.73 0.00 0.00 179.01 179.01 2k0f h GLU 116 N 0.80 0.47 0.60 1.92 5.08 -1.51 -2.29 114.58 119.66 2k0f h GLU 116 Ca 0.54 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2k0f h GLU 116 Cb 0.75 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.96 2k0f h GLU 116 CO -0.35 0.62 -0.29 0.28 -1.00 0.00 0.00 179.01 178.28 2k0f h VAL 117 N 0.43 0.22 -0.97 3.13 2.07 -1.38 -0.81 116.25 118.95 2k0f h VAL 117 Ca 0.08 -0.35 0.20 0.00 0.82 0.00 0.00 66.70 67.45 2k0f h VAL 117 Cb 0.54 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 2k0f h VAL 117 CO 0.03 0.03 0.62 0.44 0.02 0.00 0.00 177.57 178.71 2k0f h ASP 118 N -1.09 0.61 0.42 0.57 3.32 -1.64 -2.33 116.42 116.28 2k0f h ASP 118 Ca -0.08 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2k0f h ASP 118 Cb 0.67 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2k0f h ASP 118 CO 0.14 0.22 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.36 2k0f h GLU 119 N 0.59 0.02 -0.05 3.56 4.57 -1.08 -1.82 114.58 120.37 2k0f h GLU 119 Ca 0.54 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 58.46 2k0f h GLU 119 Cb 1.07 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2k0f h GLU 119 CO -0.29 0.45 -0.95 0.52 -1.18 0.00 0.00 179.01 177.55 2k0f h MET 120 N 0.02 0.72 -0.83 1.92 2.86 -0.62 -1.62 114.93 117.38 2k0f h MET 120 Ca -0.00 -0.71 -0.02 0.00 -2.06 0.00 0.00 59.70 56.91 2k0f h MET 120 Cb 0.77 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 2k0f h MET 120 CO 0.06 1.30 0.45 0.82 1.06 0.00 0.00 176.91 180.60 2k0f h ILE 121 N 0.44 1.24 0.00 -1.22 1.08 -1.44 -2.58 117.51 115.03 2k0f h ILE 121 Ca -0.10 -0.61 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 2k0f h ILE 121 Cb 1.60 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2k0f h ILE 121 CO 0.19 0.27 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.63 2k0f h ARG 122 N 1.16 0.00 0.00 2.37 2.43 -1.11 -1.85 114.38 117.37 2k0f h ARG 122 Ca 0.29 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.28 2k0f h ARG 122 Cb 0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2k0f h ARG 122 CO -0.05 0.20 -0.85 1.49 -1.51 0.00 0.00 179.97 179.26 2k0f h GLU 123 N 0.00 0.00 0.07 0.20 4.81 -1.03 -3.39 114.58 115.24 2k0f h GLU 123 Ca -0.00 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 2k0f h GLU 123 Cb 0.45 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2k0f h GLU 123 CO 0.03 0.85 -2.22 0.00 -0.73 0.00 0.00 179.01 176.93 2k0f n ALA 124 N -2.36 1.15 -2.21 2.92 0.00 -1.00 -4.97 120.51 114.04 2k0f n ALA 124 Ca -0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 2k0f n ALA 124 Cb 0.83 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -6.77 7.39 -0.24 0.00 -1.08 -0.73 -4.81 116.67 110.43 2k0f s ASP 125 Ca -0.28 1.91 0.05 0.00 -0.52 0.00 0.00 52.55 53.71 2k0f s ASP 125 Cb 0.08 -2.59 -0.19 0.00 -1.46 0.00 0.00 42.92 38.75 2k0f s ASP 125 CO 0.69 -0.15 -0.12 -0.38 0.52 0.00 0.00 175.17 175.74 2k0f n ILE 126 N 2.72 1.49 0.00 4.11 5.41 -1.26 -4.88 119.36 126.95 2k0f n ILE 126 Ca 0.03 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.15 2k0f n ILE 126 Cb 0.48 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.18 0.00 0.00 4.38 5.75 -1.26 -5.04 116.55 117.21 2k0f n ASP 127 Ca -0.42 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 2k0f n ASP 127 Cb 1.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 128 N 3.39 0.00 0.09 6.12 0.00 -1.26 -5.03 105.19 108.50 2k0f n GLY 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 0.00 1.61 2.03 -1.98 -3.48 116.42 114.82 2k0f h ASP 129 Ca 0.00 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2k0f h ASP 129 Cb 0.00 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 2k0f h ASP 129 CO 0.00 1.25 0.00 0.61 -1.03 0.00 0.00 179.24 180.07 2k0f n GLY 130 N 1.56 0.85 3.35 7.15 0.00 -1.26 -5.09 105.19 111.76 2k0f n GLY 130 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 3.44 -0.39 1.61 -1.52 -1.26 -4.73 119.66 116.47 2k0f s GLN 131 Ca 0.00 -0.60 -0.16 0.00 -1.95 0.00 0.00 55.36 52.65 2k0f s GLN 131 Cb 0.00 -3.00 0.01 0.00 -0.22 0.00 0.00 33.01 29.80 2k0f s GLN 131 CO 0.00 -0.11 0.36 0.08 -0.25 0.00 0.00 175.29 175.37 2k0f s VAL 132 N 1.27 5.18 0.58 1.09 1.01 0.63 -4.83 120.40 125.34 2k0f s VAL 132 Ca 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2k0f s VAL 132 Cb -0.14 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2k0f s VAL 132 CO -0.01 -0.27 0.84 0.54 0.00 0.00 0.00 175.10 176.20 2k0f s ASN 133 N 1.75 5.23 0.34 3.32 2.20 -1.26 0.17 114.94 126.68 2k0f s ASN 133 Ca 0.09 0.20 0.11 0.00 -0.94 0.00 0.00 52.86 52.33 2k0f s ASN 133 Cb -0.18 -1.07 1.04 0.00 -2.00 0.00 0.00 41.25 39.04 2k0f s ASN 133 CO 0.12 -1.21 1.59 0.22 -2.94 0.00 0.00 177.10 174.88 2k0f h TYR 134 N -0.10 0.48 -0.20 1.54 3.20 -1.97 0.11 116.97 120.04 2k0f h TYR 134 Ca -0.43 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.32 2k0f h TYR 134 Cb 1.29 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 2k0f h TYR 134 CO 0.38 -0.40 -0.56 1.49 -1.64 0.00 0.00 178.16 177.43 2k0f h GLU 135 N 0.06 0.62 0.23 1.82 4.81 -1.95 -0.98 114.58 119.19 2k0f h GLU 135 Ca 0.72 -0.40 -0.33 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 135 Cb 1.70 0.05 0.03 0.00 0.63 0.00 0.00 28.75 31.16 2k0f h GLU 135 CO -0.79 1.01 -1.43 0.93 -0.73 0.00 0.00 179.01 178.00 2k0f h GLU 136 N 0.47 0.53 0.05 1.92 5.08 -1.67 -3.11 114.58 117.87 2k0f h GLU 136 Ca 0.01 -0.87 0.01 0.00 -1.00 0.00 0.00 59.36 57.50 2k0f h GLU 136 Cb 1.12 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2k0f h GLU 136 CO 0.11 1.42 -0.26 0.35 -1.00 0.00 0.00 179.01 179.62 2k0f h PHE 137 N 0.16 -0.75 0.00 4.33 3.57 -0.67 0.39 116.94 123.97 2k0f h PHE 137 Ca -0.24 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 2k0f h PHE 137 Cb 2.12 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 41.17 2k0f h PHE 137 CO 0.12 -0.29 -0.18 -0.24 -2.23 0.00 0.00 178.31 175.49 2k0f h VAL 138 N -0.37 0.61 0.13 1.41 3.04 -1.32 -2.29 116.25 117.46 2k0f h VAL 138 Ca -0.00 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 2k0f h VAL 138 Cb 0.37 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2k0f h VAL 138 CO -0.14 0.18 -0.06 -0.61 -1.01 0.00 0.00 177.57 175.92 2k0f h GLN 139 N 0.00 -0.17 -0.90 4.17 5.75 -1.42 -3.32 115.11 119.22 2k0f h GLN 139 Ca -0.00 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.73 2k0f h GLN 139 Cb 0.51 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 28.97 2k0f h GLN 139 CO 0.02 0.23 0.39 1.98 -2.65 0.00 0.00 178.83 178.80 2k0f h MET 140 N -0.95 0.38 -0.94 1.69 4.05 -0.84 -2.20 114.93 116.12 2k0f h MET 140 Ca -0.02 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2k0f h MET 140 Cb 0.47 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2k0f h MET 140 CO 0.03 0.25 0.00 -1.33 0.23 0.00 0.00 176.91 176.09 2k0f n MET 141 N -5.05 1.36 0.00 0.39 2.81 -0.87 -5.09 117.12 110.67 2k0f n MET 141 Ca 0.22 -0.30 0.15 0.00 -1.81 0.00 0.00 57.70 55.96 2k0f n MET 141 Cb 0.66 -1.56 0.66 0.00 -0.71 0.00 0.00 33.22 32.27 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89