#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 0.01 0.00 -0.78 4.39 -2.06 -2.27 114.58 113.87 2k0f h GLU 2 Ca 0.00 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 2 Cb 0.00 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 2 CO 0.00 0.32 -0.52 1.05 -1.16 0.00 0.00 179.01 178.70 2k0f h GLU 3 N 0.01 0.00 0.08 2.33 9.09 -2.06 -3.00 114.58 121.02 2k0f h GLU 3 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.14 2k0f h GLU 3 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 2k0f h GLU 3 CO 0.04 0.52 -1.32 1.96 0.05 0.00 0.00 179.01 180.25 2k0f h GLN 4 N 0.00 0.16 -0.74 1.06 4.20 -1.94 -2.88 115.11 114.98 2k0f h GLN 4 Ca -0.01 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 2k0f h GLN 4 Cb 1.03 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 2k0f h GLN 4 CO 0.07 1.05 0.39 0.82 -0.67 0.00 0.00 178.83 180.48 2k0f h ILE 5 N 0.04 1.23 -0.82 2.54 1.08 -1.45 -0.65 117.51 119.49 2k0f h ILE 5 Ca -0.15 -0.60 0.13 0.00 -0.39 0.00 0.00 64.86 63.85 2k0f h ILE 5 Cb 1.94 0.28 -0.09 0.00 -3.07 0.00 0.00 36.82 35.87 2k0f h ILE 5 CO 0.16 0.26 0.41 0.00 -0.69 0.00 0.00 178.15 178.29 2k0f h ALA 6 N 1.19 1.20 0.00 1.87 0.00 -1.53 -0.63 119.26 121.37 2k0f h ALA 6 Ca 0.26 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2k0f h ALA 6 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k0f h ALA 6 CO -0.04 -0.09 -0.49 1.49 0.00 0.00 0.00 179.25 180.12 2k0f h GLU 7 N 0.61 0.00 0.11 0.00 4.57 -1.10 -1.69 114.58 117.08 2k0f h GLU 7 Ca 0.44 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.46 2k0f h GLU 7 Cb 0.59 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2k0f h GLU 7 CO -0.35 0.49 -0.70 0.35 -1.18 0.00 0.00 179.01 177.62 2k0f h PHE 8 N 0.00 0.49 -0.54 0.92 3.57 -0.94 -2.32 116.94 118.12 2k0f h PHE 8 Ca -0.00 -0.35 0.11 0.00 3.53 0.00 0.00 57.97 61.26 2k0f h PHE 8 Cb 1.13 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 8 CO 0.00 1.26 0.02 -0.22 -2.23 0.00 0.00 178.31 177.14 2k0f h LYS 9 N -0.42 0.13 -0.67 1.11 3.64 -1.03 -2.72 116.57 116.61 2k0f h LYS 9 Ca -0.12 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2k0f h LYS 9 Cb 1.54 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 2k0f h LYS 9 CO 0.13 0.09 0.28 1.49 -2.27 0.00 0.00 179.45 179.17 2k0f h GLU 10 N 0.14 0.99 0.00 1.90 4.57 -1.34 -3.32 114.58 117.53 2k0f h GLU 10 Ca 0.28 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 2k0f h GLU 10 Cb 0.43 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k0f h GLU 10 CO -0.44 0.82 -0.36 0.00 -1.18 0.00 0.00 179.01 177.85 2k0f h ALA 11 N 1.12 1.37 0.00 2.92 0.00 -1.12 -3.25 119.26 120.30 2k0f h ALA 11 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 11 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 11 CO -0.02 0.44 0.00 0.34 0.00 0.00 0.00 179.25 180.01 2k0f n PHE 12 N -4.06 0.24 0.23 0.00 7.35 -1.06 -3.13 117.46 117.02 2k0f n PHE 12 Ca -0.02 0.11 0.12 0.00 -0.76 0.00 0.00 57.45 56.90 2k0f n PHE 12 Cb 0.40 -0.68 0.34 0.00 0.35 0.00 0.00 39.48 39.89 2k0f n PHE 12 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2k0f h SER 13 N 0.00 0.00 0.01 -2.13 0.02 -1.78 0.33 113.55 110.00 2k0f h SER 13 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2k0f h SER 13 Cb 0.11 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.67 2k0f h SER 13 CO 0.00 0.10 -1.01 -0.07 -1.14 0.00 0.00 176.83 174.71 2k0f h LEU 14 N 0.00 0.87 0.00 5.07 4.07 -1.82 -3.40 115.31 120.10 2k0f h LEU 14 Ca -0.00 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.21 2k0f h LEU 14 Cb 0.88 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2k0f h LEU 14 CO 0.01 1.51 0.00 0.49 -1.08 0.00 0.00 178.44 179.37 2k0f n PHE 15 N -3.89 0.00 -2.01 1.13 3.72 -1.21 -4.76 117.46 110.44 2k0f n PHE 15 Ca -0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.86 2k0f n PHE 15 Cb 0.87 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.38 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 -2.24 6.32 0.00 4.37 2.15 0.10 -4.70 116.67 122.67 2k0f s ASP 16 Ca 0.00 1.81 0.24 0.00 0.43 0.00 0.00 52.55 55.03 2k0f s ASP 16 Cb 0.00 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.39 2k0f s ASP 16 CO 0.00 -1.28 1.33 0.29 -0.17 0.00 0.00 175.17 175.34 2k0f n LYS 17 N 7.71 2.39 -0.11 4.34 5.02 -1.26 -4.39 118.16 131.86 2k0f n LYS 17 Ca 0.20 -2.05 -0.20 0.00 -2.02 0.00 0.00 58.31 54.24 2k0f n LYS 17 Cb 0.45 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 18 N 1.39 1.82 0.00 4.39 8.00 -1.26 -5.04 116.55 125.85 2k0f n ASP 18 Ca 0.16 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2k0f n ASP 18 Cb 0.60 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.95 1.18 0.08 0.44 0.00 -1.26 -5.04 105.19 102.54 2k0f n GLY 19 Ca -0.40 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.01 0.00 1.61 2.03 -1.96 -3.48 116.42 114.63 2k0f h ASP 20 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 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 1.02 0.00 0.61 -1.03 0.00 0.00 179.24 179.84 2k0f n GLY 21 N 1.54 1.16 3.40 7.15 0.00 -1.26 -5.10 105.19 112.09 2k0f n GLY 21 Ca -0.15 0.00 -0.24 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 2.16 -0.16 2.61 -4.23 -1.26 -3.24 115.64 109.51 2k0f s THR 22 Ca 0.00 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 2k0f s THR 22 Cb 0.00 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 2k0f s THR 22 CO 0.00 -0.29 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.08 2k0f s ILE 23 N -2.11 3.37 0.54 2.99 1.01 -0.98 -4.63 121.20 121.39 2k0f s ILE 23 Ca 0.22 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.42 2k0f s ILE 23 Cb -0.06 -2.47 0.09 0.00 0.01 0.00 0.00 42.46 40.03 2k0f s ILE 23 CO 0.10 0.49 0.72 0.35 0.00 0.00 0.00 174.94 176.60 2k0f n THR 24 N 3.90 0.00 0.27 2.92 -2.24 -1.26 -2.42 114.28 115.45 2k0f n THR 24 Ca -0.18 -1.84 0.12 0.00 -2.27 0.00 0.00 64.05 59.88 2k0f n THR 24 Cb 0.52 -0.50 0.75 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.14 0.67 0.03 4.28 1.35 -1.88 -0.64 112.91 116.87 2k0f h THR 25 Ca -0.26 -0.32 -0.07 0.00 -0.55 0.00 0.00 66.41 65.21 2k0f h THR 25 Cb 1.18 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2k0f h THR 25 CO 0.38 0.08 -0.31 0.11 -0.25 0.00 0.00 175.52 175.52 2k0f h LYS 26 N 0.00 0.07 -0.56 4.72 1.79 -1.96 -2.73 116.57 117.89 2k0f h LYS 26 Ca -0.00 -0.12 -0.09 0.00 -2.18 0.00 0.00 60.65 58.25 2k0f h LYS 26 Cb 0.19 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2k0f h LYS 26 CO 0.01 1.06 -0.00 0.93 -1.08 0.00 0.00 179.45 180.37 2k0f h GLU 27 N -0.84 1.00 -0.43 3.15 5.08 -1.84 -1.09 114.58 119.61 2k0f h GLU 27 Ca -0.07 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 2k0f h GLU 27 Cb 1.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2k0f h GLU 27 CO 0.02 1.00 -0.03 1.25 -1.00 0.00 0.00 179.01 180.25 2k0f h LEU 28 N 0.88 0.69 -0.03 1.33 5.85 -1.28 -2.84 115.31 119.91 2k0f h LEU 28 Ca 0.16 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 28 Cb 0.55 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2k0f h LEU 28 CO 0.03 0.77 0.01 1.23 -0.34 0.00 0.00 178.44 180.15 2k0f h GLY 29 N 0.95 0.05 -0.12 3.75 0.00 -1.24 -2.93 103.07 103.54 2k0f h GLY 29 Ca 0.13 -0.02 0.20 0.00 0.00 0.00 0.00 47.33 47.64 2k0f h GLY 29 CO 0.02 0.02 0.39 -0.84 0.00 0.00 0.00 176.54 176.13 2k0f h THR 30 N -0.08 0.52 -0.13 4.70 2.02 -1.09 0.33 112.91 119.19 2k0f h THR 30 Ca 0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2k0f h THR 30 Cb 0.13 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2k0f h THR 30 CO -0.00 0.08 -0.08 0.58 0.37 0.00 0.00 175.52 176.47 2k0f h VAL 31 N 0.43 1.33 -0.95 3.16 2.07 -1.44 0.91 116.25 121.76 2k0f h VAL 31 Ca 0.54 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.96 2k0f h VAL 31 Cb 0.98 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 2k0f h VAL 31 CO -0.50 0.33 0.62 -0.03 0.02 0.00 0.00 177.57 178.01 2k0f h MET 32 N -0.08 1.14 -0.24 1.57 -1.53 -1.33 0.26 114.93 114.73 2k0f h MET 32 Ca 0.03 -0.07 -0.13 0.00 -3.44 0.00 0.00 59.70 56.09 2k0f h MET 32 Cb 0.55 -0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 2k0f h MET 32 CO 0.02 0.75 -0.39 0.00 0.14 0.00 0.00 176.91 177.44 2k0f h ARG 33 N 1.17 0.54 -0.24 0.39 3.08 -0.22 -1.92 114.38 117.18 2k0f h ARG 33 Ca 0.39 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 33 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2k0f h ARG 33 CO -0.13 0.84 -0.44 0.77 -1.07 0.00 0.00 179.97 179.95 2k0f h SER 34 N 0.45 0.65 0.01 7.04 0.02 -0.32 -3.09 113.55 118.30 2k0f h SER 34 Ca 0.04 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2k0f h SER 34 Cb 0.87 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 2k0f h SER 34 CO 0.07 0.99 -0.40 0.25 -1.14 0.00 0.00 176.83 176.61 2k0f h LEU 35 N 0.49 -1.22 0.00 5.07 5.85 -0.44 -3.38 115.31 121.68 2k0f h LEU 35 Ca 0.03 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 35 Cb 0.96 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.46 2k0f h LEU 35 CO 0.09 -0.45 0.00 0.61 -0.34 0.00 0.00 178.44 178.35 2k0f n GLY 36 N -1.45 0.77 3.10 3.75 0.00 -0.75 -5.04 105.19 105.57 2k0f n GLY 36 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.63 -0.52 1.61 -0.21 -1.04 -5.05 119.66 115.08 2k0f s GLN 37 Ca 0.00 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.31 2k0f s GLN 37 Cb 0.00 -0.08 0.14 0.00 1.00 0.00 0.00 33.01 34.06 2k0f s GLN 37 CO 0.00 -0.03 0.31 -0.80 -2.12 0.00 0.00 175.29 172.65 2k0f s ASN 38 N -2.42 5.04 0.49 5.90 0.01 -1.26 -4.13 114.94 118.58 2k0f s ASN 38 Ca 0.01 -2.59 -0.08 0.00 -0.71 0.00 0.00 52.86 49.49 2k0f s ASN 38 Cb -0.00 -1.79 -0.05 0.00 0.41 0.00 0.00 41.25 39.82 2k0f s ASN 38 CO -0.04 -0.39 0.85 -2.16 -1.51 0.00 0.00 177.10 173.84 2k0f s PRO 39 N 0.32 3.64 0.65 -0.60 0.04 -1.26 -5.10 135.00 132.68 2k0f s PRO 39 Ca 0.14 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 2k0f s PRO 39 Cb -0.22 -2.30 0.07 0.00 0.04 0.00 0.00 34.50 32.09 2k0f s PRO 39 CO -0.03 -0.25 0.91 0.95 0.04 0.00 0.00 177.00 178.62 2k0f s THR 40 N -2.74 2.40 -0.04 1.26 -4.23 -1.26 -5.02 115.64 106.02 2k0f s THR 40 Ca 0.51 -0.51 -0.21 0.00 -1.18 0.00 0.00 61.69 60.30 2k0f s THR 40 Cb -0.10 -2.89 -0.32 0.00 1.34 0.00 0.00 72.50 70.53 2k0f s THR 40 CO 0.43 0.00 0.90 -0.33 -0.54 0.00 0.00 174.62 175.07 2k0f h GLU 41 N -0.32 0.34 -1.04 3.99 4.39 -1.99 -2.73 114.58 117.22 2k0f h GLU 41 Ca -0.41 -0.58 0.29 0.00 0.34 0.00 0.00 59.36 59.00 2k0f h GLU 41 Cb 1.29 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 30.03 2k0f h GLU 41 CO 0.51 1.28 0.63 0.00 -1.16 0.00 0.00 179.01 180.27 2k0f h ALA 42 N 0.09 2.04 -0.05 3.43 0.00 -1.98 -0.71 119.26 122.07 2k0f h ALA 42 Ca -0.17 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 42 Cb 1.74 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2k0f h ALA 42 CO 0.17 -0.56 -0.31 0.93 0.00 0.00 0.00 179.25 179.49 2k0f h GLU 43 N 0.41 0.30 -0.54 0.00 5.08 -1.96 -1.09 114.58 116.77 2k0f h GLU 43 Ca 0.68 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.79 2k0f h GLU 43 Cb 1.56 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 2k0f h GLU 43 CO -0.47 0.91 0.36 -0.07 -1.00 0.00 0.00 179.01 178.74 2k0f h LEU 44 N -0.23 0.62 -0.47 1.33 3.38 -1.09 0.16 115.31 119.01 2k0f h LEU 44 Ca -0.02 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2k0f h LEU 44 Cb 0.97 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2k0f h LEU 44 CO 0.06 0.45 -0.67 -0.61 0.09 0.00 0.00 178.44 177.76 2k0f h GLN 45 N 0.74 0.40 -0.79 1.13 4.15 -1.10 -3.01 115.11 116.64 2k0f h GLN 45 Ca 0.20 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2k0f h GLN 45 Cb -0.08 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 2k0f h GLN 45 CO -0.04 0.93 0.50 0.22 -1.93 0.00 0.00 178.83 178.50 2k0f h ASP 46 N 0.29 0.93 -0.29 -0.69 3.58 -0.35 -1.76 116.42 118.13 2k0f h ASP 46 Ca -0.02 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.44 2k0f h ASP 46 Cb 1.23 -0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.97 2k0f h ASP 46 CO 0.12 0.70 -0.45 0.24 -2.88 0.00 0.00 179.24 176.96 2k0f h MET 47 N 1.07 -0.40 -0.30 0.28 2.86 -0.65 -3.07 114.93 114.73 2k0f h MET 47 Ca 0.28 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.86 2k0f h MET 47 Cb -0.08 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2k0f h MET 47 CO -0.06 -0.27 -0.19 0.82 1.06 0.00 0.00 176.91 178.28 2k0f h ILE 48 N -0.41 1.30 -0.94 -1.22 2.04 -1.37 -3.34 117.51 113.56 2k0f h ILE 48 Ca 0.10 -1.32 0.19 0.00 1.00 0.00 0.00 64.86 64.83 2k0f h ILE 48 Cb 0.61 1.50 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 2k0f h ILE 48 CO -0.50 0.42 0.60 0.78 0.00 0.00 0.00 178.15 179.45 2k0f h ASN 49 N 0.41 0.58 0.64 1.72 2.35 -1.29 0.22 115.58 120.20 2k0f h ASN 49 Ca 0.06 0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 2k0f h ASN 49 Cb 0.73 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 2k0f h ASN 49 CO 0.05 0.23 -0.59 -0.08 -1.65 0.00 0.00 177.43 175.40 2k0f h GLU 50 N 0.58 0.00 0.00 0.81 4.81 -1.65 -3.15 114.58 115.98 2k0f h GLU 50 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2k0f h GLU 50 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2k0f h GLU 50 CO -0.25 0.59 -1.20 1.33 -0.73 0.00 0.00 179.01 178.75 2k0f n VAL 51 N -3.77 0.00 -2.26 0.32 0.24 -0.30 -4.87 118.33 107.69 2k0f n VAL 51 Ca -0.01 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.34 61.72 2k0f n VAL 51 Cb 0.60 0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 33.70 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 -3.27 6.62 -0.10 -1.34 2.15 0.63 -4.91 116.67 116.45 2k0f s ASP 52 Ca 0.04 1.59 -0.09 0.00 0.43 0.00 0.00 52.55 54.52 2k0f s ASP 52 Cb 0.15 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2k0f s ASP 52 CO 0.83 -1.06 -0.17 0.00 -0.17 0.00 0.00 175.17 174.60 2k0f n ALA 53 N 7.65 0.42 -0.20 3.66 0.00 -1.26 -4.63 120.51 126.15 2k0f n ALA 53 Ca 0.16 -0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.16 2k0f n ALA 53 Cb 0.45 0.01 0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.66 -0.30 0.00 0.00 3.04 -1.95 -3.47 116.42 113.08 2k0f h ASP 54 Ca 0.00 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 2k0f h ASP 54 Cb 0.48 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.05 2k0f h ASP 54 CO 0.00 -0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.69 2k0f n GLY 55 N -1.37 1.97 0.17 7.15 0.00 -1.26 -5.03 105.19 106.82 2k0f n GLY 55 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.95 -3.47 115.58 118.86 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 0.28 0.00 0.61 -2.08 0.00 0.00 177.43 176.24 2k0f n GLY 57 N 1.17 0.55 3.28 9.14 0.00 -1.26 -5.07 105.19 112.99 2k0f n GLY 57 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.04 0.86 -0.39 2.61 -4.23 -1.26 -4.75 115.64 106.45 2k0f s THR 58 Ca 0.00 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 2k0f s THR 58 Cb 0.00 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.70 2k0f s THR 58 CO 0.00 -0.44 0.23 -0.63 -0.54 0.00 0.00 174.62 173.24 2k0f s ILE 59 N -3.53 4.61 0.81 2.99 1.01 -1.02 -4.81 121.20 121.26 2k0f s ILE 59 Ca 0.25 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 2k0f s ILE 59 Cb 0.06 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 39.03 2k0f s ILE 59 CO 0.05 -0.31 1.13 -1.81 0.00 0.00 0.00 174.94 174.01 2k0f s ASP 60 N 1.71 4.04 0.02 3.58 1.11 -1.26 -2.32 116.67 123.55 2k0f s ASP 60 Ca 0.02 0.18 -0.19 0.00 0.18 0.00 0.00 52.55 52.74 2k0f s ASP 60 Cb -0.20 -0.52 -0.11 0.00 1.07 0.00 0.00 42.92 43.16 2k0f s ASP 60 CO 0.06 -2.11 1.13 0.15 1.18 0.00 0.00 175.17 175.58 2k0f h PHE 61 N -0.99 -0.64 0.00 4.23 3.04 -1.97 0.09 116.94 120.70 2k0f h PHE 61 Ca -0.42 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.51 2k0f h PHE 61 Cb 1.27 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.99 2k0f h PHE 61 CO -0.36 -0.40 0.00 -1.00 -2.02 0.00 0.00 178.31 174.53 2k0f h PRO 62 N -0.78 0.00 -0.13 6.41 0.13 -1.96 -1.39 132.00 134.27 2k0f h PRO 62 Ca -0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.83 2k0f h PRO 62 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 2k0f h PRO 62 CO 0.12 0.00 -0.81 1.49 -0.23 0.00 0.00 178.00 178.57 2k0f h GLU 63 N 0.00 0.77 -0.51 0.86 4.81 -1.86 -2.63 114.58 116.01 2k0f h GLU 63 Ca 0.00 -0.65 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 2k0f h GLU 63 Cb 0.36 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 63 CO 0.00 1.25 0.08 0.35 -0.73 0.00 0.00 179.01 179.96 2k0f h PHE 64 N 0.51 0.89 -0.40 0.92 3.57 -0.90 -3.06 116.94 118.48 2k0f h PHE 64 Ca -0.06 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 64 Cb 1.44 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 2k0f h PHE 64 CO 0.09 0.81 -0.04 1.25 -2.23 0.00 0.00 178.31 178.19 2k0f h LEU 65 N 0.72 -0.24 -1.06 0.59 5.85 -1.29 -2.36 115.31 117.52 2k0f h LEU 65 Ca 0.15 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 65 Cb 0.40 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2k0f h LEU 65 CO 0.01 -0.08 -0.21 0.74 -0.34 0.00 0.00 178.44 178.56 2k0f h THR 66 N 0.07 1.25 0.01 1.05 2.02 -1.54 0.15 112.91 115.92 2k0f h THR 66 Ca 0.20 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.24 2k0f h THR 66 Cb 0.29 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2k0f h THR 66 CO -0.36 0.36 -0.06 -0.03 0.37 0.00 0.00 175.52 175.80 2k0f h MET 67 N 0.38 -0.10 -0.39 6.66 1.85 -1.32 0.43 114.93 122.45 2k0f h MET 67 Ca 0.06 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.08 2k0f h MET 67 Cb 0.59 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 2k0f h MET 67 CO 0.04 -0.07 -0.07 0.52 -0.40 0.00 0.00 176.91 176.93 2k0f h MET 68 N -0.11 0.73 0.00 0.39 2.07 -1.23 -3.29 114.93 113.50 2k0f h MET 68 Ca 0.02 -0.27 -0.06 0.00 -2.07 0.00 0.00 59.70 57.31 2k0f h MET 68 Cb 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.80 2k0f h MET 68 CO -0.05 0.87 -0.31 0.00 1.07 0.00 0.00 176.91 178.49 2k0f h ALA 69 N 0.84 1.06 -1.97 6.32 0.00 -0.18 -3.41 119.26 121.92 2k0f h ALA 69 Ca 0.10 -0.28 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 2k0f h ALA 69 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 69 CO 0.03 0.39 1.50 0.50 0.00 0.00 0.00 179.25 181.67 2k0f s ARG 70 N -3.72 3.08 -0.02 0.00 3.52 0.10 -4.99 118.95 116.92 2k0f s ARG 70 Ca -0.00 2.00 -0.03 0.00 -0.13 0.00 0.00 55.73 57.57 2k0f s ARG 70 Cb 0.11 -4.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 2k0f s ARG 70 CO 0.67 -2.16 0.16 0.21 -0.81 0.00 0.00 175.30 173.37 2k0f s LYS 71 N 6.43 3.38 1.12 5.12 2.20 -1.26 -4.95 119.74 131.79 2k0f s LYS 71 Ca 1.01 -0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 56.11 2k0f s LYS 71 Cb -0.32 -3.07 0.25 0.00 -1.51 0.00 0.00 37.83 33.18 2k0f s LYS 71 CO 0.35 0.68 1.15 -1.64 -0.36 0.00 0.00 175.35 175.53 2k0f s MET 72 N -1.82 -0.55 0.55 4.03 -1.94 -1.26 -5.08 119.30 113.23 2k0f s MET 72 Ca 0.25 -0.06 -0.09 0.00 -1.71 0.00 0.00 55.69 54.09 2k0f s MET 72 Cb -0.12 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 2k0f s MET 72 CO 0.17 -3.27 0.91 -1.59 -0.01 0.00 0.00 175.02 171.23 2k0f s LYS 73 N -5.46 3.59 0.39 2.03 -2.85 -1.26 -4.89 119.74 111.30 2k0f s LYS 73 Ca 0.70 0.50 0.07 0.00 -1.00 0.00 0.00 55.97 56.25 2k0f s LYS 73 Cb -0.10 -2.22 0.83 0.00 -2.06 0.00 0.00 37.83 34.28 2k0f s LYS 73 CO 0.55 -0.38 2.01 -0.44 0.10 0.00 0.00 175.35 177.19 2k0f h ASP 74 N 0.02 0.54 -0.00 0.03 5.19 -1.98 -1.29 116.42 118.92 2k0f h ASP 74 Ca -0.45 -0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.98 2k0f h ASP 74 Cb 1.20 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.55 2k0f h ASP 74 CO 0.62 0.37 -0.16 0.71 -3.12 0.00 0.00 179.24 177.65 2k0f h THR 75 N 0.62 0.61 -0.38 0.35 1.35 -2.00 -2.11 112.91 111.35 2k0f h THR 75 Ca 0.23 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.93 2k0f h THR 75 Cb 0.15 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 2k0f h THR 75 CO -0.06 0.00 -0.39 0.44 -0.25 0.00 0.00 175.52 175.26 2k0f h ASP 76 N -0.26 1.01 0.71 5.36 3.32 -1.67 -2.29 116.42 122.60 2k0f h ASP 76 Ca 0.05 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k0f h ASP 76 Cb 0.33 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2k0f h ASP 76 CO -0.16 1.27 0.00 0.28 -1.72 0.00 0.00 179.24 178.91 2k0f h SER 77 N 0.77 0.00 1.43 6.45 0.02 -1.11 0.32 113.55 121.44 2k0f h SER 77 Ca 0.06 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 77 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2k0f h SER 77 CO 0.10 0.00 -0.58 -0.08 -1.14 0.00 0.00 176.83 175.12 2k0f h GLU 78 N 0.00 0.00 0.17 3.45 4.81 -0.81 -3.22 114.58 118.98 2k0f h GLU 78 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 2k0f h GLU 78 Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 78 CO 0.00 0.34 -1.66 0.93 -0.73 0.00 0.00 179.01 177.89 2k0f h GLU 79 N 0.00 0.37 -0.98 1.92 5.08 -1.12 -3.24 114.58 116.60 2k0f h GLU 79 Ca -0.03 -0.62 0.16 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 79 Cb 1.32 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 30.71 2k0f h GLU 79 CO 0.05 1.27 0.61 1.49 -1.00 0.00 0.00 179.01 181.43 2k0f h GLU 80 N 0.10 0.78 0.00 2.33 4.81 -0.48 -2.11 114.58 120.01 2k0f h GLU 80 Ca -0.30 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 58.71 2k0f h GLU 80 Cb 2.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 2k0f h GLU 80 CO 0.18 0.52 -0.81 0.97 -0.73 0.00 0.00 179.01 179.14 2k0f h ILE 81 N 0.81 1.44 0.46 2.32 6.09 -1.67 -3.21 117.51 123.75 2k0f h ILE 81 Ca 0.53 -2.93 -0.02 0.00 -1.37 0.00 0.00 64.86 61.07 2k0f h ILE 81 Cb 0.76 2.64 -0.00 0.00 0.47 0.00 0.00 36.82 40.70 2k0f h ILE 81 CO -0.30 0.80 -0.26 -0.09 -3.07 0.00 0.00 178.15 175.22 2k0f h ARG 82 N 0.00 -0.65 0.00 2.19 2.43 -1.53 -2.61 114.38 114.21 2k0f h ARG 82 Ca -0.01 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 82 Cb 1.58 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 31.28 2k0f h ARG 82 CO 0.11 -0.44 -0.09 0.93 -1.51 0.00 0.00 179.97 178.97 2k0f h GLU 83 N -0.68 0.00 0.17 0.20 4.39 -1.39 0.47 114.58 117.74 2k0f h GLU 83 Ca -0.06 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.34 2k0f h GLU 83 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2k0f h GLU 83 CO 0.07 0.09 -1.39 0.00 -1.16 0.00 0.00 179.01 176.63 2k0f h ALA 84 N 1.91 0.05 -0.61 3.43 0.00 -1.59 -3.24 119.26 119.21 2k0f h ALA 84 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 84 Cb 0.25 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2k0f h ALA 84 CO 0.01 0.92 0.35 0.35 0.00 0.00 0.00 179.25 180.88 2k0f h PHE 85 N 0.10 0.82 0.00 0.00 3.57 -0.95 -2.39 116.94 118.09 2k0f h PHE 85 Ca -0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2k0f h PHE 85 Cb 2.05 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.52 2k0f h PHE 85 CO 0.08 0.58 0.00 -2.13 -2.23 0.00 0.00 178.31 174.62 2k0f n ARG 86 N -4.59 0.17 0.02 1.11 0.63 0.08 -0.54 116.66 113.55 2k0f n ARG 86 Ca 0.04 0.41 -0.19 0.00 -0.92 0.00 0.00 57.85 57.20 2k0f n ARG 86 Cb 0.07 -1.83 -0.14 0.00 0.45 0.00 0.00 32.46 31.01 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.56 0.00 5.15 2.07 -1.46 -3.38 116.25 120.19 2k0f h VAL 87 Ca 0.00 -2.49 -0.18 0.00 0.82 0.00 0.00 66.70 64.86 2k0f h VAL 87 Cb 0.34 3.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 2k0f h VAL 87 CO 0.00 0.69 -0.84 -0.26 0.02 0.00 0.00 177.57 177.18 2k0f h PHE 88 N -0.53 0.06 -3.20 1.57 0.04 -0.99 -3.37 116.94 110.51 2k0f h PHE 88 Ca -0.12 -0.03 -0.67 0.00 2.80 0.00 0.00 57.97 59.95 2k0f h PHE 88 Cb 1.49 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 39.46 2k0f h PHE 88 CO 0.21 0.85 0.14 0.34 -0.60 0.00 0.00 178.31 179.26 2k0f s ASP 89 N -6.81 6.24 -0.02 2.17 2.15 0.30 -4.44 116.67 116.27 2k0f s ASP 89 Ca -0.01 -0.87 -0.23 0.00 0.43 0.00 0.00 52.55 51.87 2k0f s ASP 89 Cb 0.11 -2.32 -0.21 0.00 -0.30 0.00 0.00 42.92 40.21 2k0f s ASP 89 CO 0.80 -0.97 1.14 0.50 -0.17 0.00 0.00 175.17 176.47 2k0f h LYS 90 N 9.07 0.25 0.00 4.34 1.63 -1.81 -3.39 116.57 126.65 2k0f h LYS 90 Ca -0.27 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2k0f h LYS 90 Cb 1.09 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2k0f h LYS 90 CO 1.00 0.87 0.00 -0.40 -3.45 0.00 0.00 179.45 177.46 2k0f n ASP 91 N -4.50 0.00 0.00 4.20 5.68 -1.26 -5.03 116.55 115.64 2k0f n ASP 91 Ca -0.09 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2k0f n ASP 91 Cb 0.47 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 1.89 -0.01 0.22 6.12 0.00 -1.26 -5.05 105.19 107.11 2k0f n GLY 92 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.95 -3.46 115.58 110.70 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.00 1.46 2.65 9.14 0.00 -1.26 -5.07 105.19 112.11 2k0f n GLY 94 Ca 0.01 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 0.34 -0.18 1.61 2.02 -1.26 -4.01 117.35 113.87 2k0f s TYR 95 Ca 0.00 -0.33 -0.26 0.00 -0.37 0.00 0.00 57.07 56.10 2k0f s TYR 95 Cb 0.00 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 2k0f s TYR 95 CO 0.00 -0.48 0.89 0.42 -1.57 0.00 0.00 175.55 174.81 2k0f s ILE 96 N 2.09 4.82 0.39 2.71 1.01 0.29 -4.83 121.20 127.68 2k0f s ILE 96 Ca 0.02 1.75 0.08 0.00 0.00 0.00 0.00 60.65 62.50 2k0f s ILE 96 Cb -0.16 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2k0f s ILE 96 CO -0.08 -0.03 0.37 -0.94 0.00 0.00 0.00 174.94 174.26 2k0f s SER 97 N 1.19 5.22 0.27 3.58 1.04 -1.26 -2.25 113.70 121.48 2k0f s SER 97 Ca 0.40 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 2k0f s SER 97 Cb -0.16 -0.74 0.34 0.00 0.10 0.00 0.00 66.02 65.55 2k0f s SER 97 CO 0.11 -0.55 1.85 0.00 0.98 0.00 0.00 173.24 175.63 2k0f h ALA 98 N 1.07 1.22 -0.82 5.32 0.00 -1.91 0.34 119.26 124.48 2k0f h ALA 98 Ca -0.43 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 98 Cb 1.26 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 98 CO 0.56 0.58 0.52 0.00 0.00 0.00 0.00 179.25 180.92 2k0f h ALA 99 N 1.33 1.07 -0.03 0.00 0.00 -1.98 0.14 119.26 119.80 2k0f h ALA 99 Ca 0.24 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 99 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k0f h ALA 99 CO -0.03 0.35 -0.76 0.93 0.00 0.00 0.00 179.25 179.75 2k0f h GLU 100 N 1.02 0.20 0.00 0.00 5.08 -1.79 -2.71 114.58 116.38 2k0f h GLU 100 Ca 0.32 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 100 Cb -0.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 100 CO -0.11 0.87 -0.55 1.25 -1.00 0.00 0.00 179.01 179.47 2k0f h LEU 101 N 0.13 0.00 -0.21 1.33 5.85 -0.57 -2.59 115.31 119.25 2k0f h LEU 101 Ca -0.03 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.48 2k0f h LEU 101 Cb 1.34 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.37 2k0f h LEU 101 CO 0.12 0.50 -0.78 -0.09 -0.34 0.00 0.00 178.44 177.84 2k0f h ARG 102 N 0.00 0.71 0.18 1.25 2.43 -0.76 -3.04 114.38 115.15 2k0f h ARG 102 Ca -0.01 -0.59 0.01 0.00 -0.81 0.00 0.00 59.98 58.58 2k0f h ARG 102 Cb 1.39 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.02 2k0f h ARG 102 CO 0.06 1.20 -0.44 1.25 -1.51 0.00 0.00 179.97 180.54 2k0f h HIS 103 N 0.48 -1.23 -0.54 2.20 2.76 -1.23 -2.67 115.15 114.93 2k0f h HIS 103 Ca -0.05 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2k0f h HIS 103 Cb 1.40 0.51 -0.11 0.00 1.55 0.00 0.00 27.41 30.76 2k0f h HIS 103 CO 0.08 -0.54 -0.30 0.28 -1.30 0.00 0.00 177.93 176.15 2k0f h VAL 104 N -0.71 0.23 -0.31 5.26 2.07 -1.60 -2.57 116.25 118.62 2k0f h VAL 104 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2k0f h VAL 104 Cb 0.71 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2k0f h VAL 104 CO -0.22 0.00 -0.04 -0.03 0.02 0.00 0.00 177.57 177.30 2k0f h MET 105 N -0.16 0.49 -0.01 1.57 -1.53 -1.50 -1.56 114.93 112.23 2k0f h MET 105 Ca 0.23 -0.11 -0.23 0.00 -3.44 0.00 0.00 59.70 56.14 2k0f h MET 105 Cb 0.53 -0.07 0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2k0f h MET 105 CO -0.63 0.55 -0.94 1.15 0.14 0.00 0.00 176.91 177.19 2k0f h THR 106 N 0.47 1.38 0.00 -0.77 2.02 -1.40 -1.08 112.91 113.52 2k0f h THR 106 Ca 0.10 -2.38 -0.09 0.00 0.77 0.00 0.00 66.41 64.81 2k0f h THR 106 Cb 0.37 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 2k0f h THR 106 CO 0.02 0.72 -0.43 0.78 0.37 0.00 0.00 175.52 176.97 2k0f h ASN 107 N 0.27 0.00 0.00 4.18 2.35 -1.13 -1.96 115.58 119.29 2k0f h ASN 107 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2k0f h ASN 107 Cb 1.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.94 2k0f h ASN 107 CO 0.17 0.43 0.00 0.18 -1.65 0.00 0.00 177.43 176.55 2k0f n LEU 108 N -3.95 0.00 0.00 1.61 4.77 -0.62 -4.67 117.00 114.15 2k0f n LEU 108 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2k0f n LEU 108 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2k0f n LEU 108 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k0f n GLY 109 N 0.76 0.88 3.90 -0.72 0.00 -0.74 -5.02 105.19 104.25 2k0f n GLY 109 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.47 2.69 -0.21 1.61 0.41 -0.45 -5.00 118.70 117.28 2k0f s GLU 110 Ca 0.00 -1.37 -0.08 0.00 -0.41 0.00 0.00 54.97 53.11 2k0f s GLU 110 Cb 0.00 -2.51 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 2k0f s GLU 110 CO 0.00 -0.10 0.07 0.21 -0.49 0.00 0.00 175.26 174.95 2k0f s LYS 111 N -4.13 3.89 -0.16 1.61 2.20 -1.26 -3.83 119.74 118.05 2k0f s LYS 111 Ca 0.47 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.67 2k0f s LYS 111 Cb -0.06 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2k0f s LYS 111 CO 0.29 0.13 0.06 -1.17 -0.36 0.00 0.00 175.35 174.29 2k0f s LEU 112 N 0.78 0.71 0.00 5.43 2.96 -1.26 -5.06 118.68 122.23 2k0f s LEU 112 Ca 0.04 -0.62 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2k0f s LEU 112 Cb -0.13 -0.40 0.04 0.00 0.50 0.00 0.00 46.19 46.20 2k0f s LEU 112 CO 0.02 -0.31 0.34 0.35 -1.32 0.00 0.00 176.35 175.43 2k0f n THR 113 N 5.17 0.00 -0.06 3.68 -2.24 -1.26 -4.83 114.28 114.75 2k0f n THR 113 Ca -0.08 -0.82 -0.14 0.00 -2.27 0.00 0.00 64.05 60.75 2k0f n THR 113 Cb 0.48 -0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 0.04 0.53 -0.23 3.42 5.19 -2.01 0.18 116.42 123.55 2k0f h ASP 114 Ca -0.11 -0.54 0.06 0.00 -0.62 0.00 0.00 57.03 55.82 2k0f h ASP 114 Cb 0.53 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.81 2k0f h ASP 114 CO 0.16 0.97 -0.31 -0.08 -3.12 0.00 0.00 179.24 176.86 2k0f h GLU 115 N 0.11 -0.32 -0.49 3.56 4.81 -2.00 -2.80 114.58 117.45 2k0f h GLU 115 Ca 0.01 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 115 Cb 0.87 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2k0f h GLU 115 CO 0.06 -0.21 -0.17 1.49 -0.73 0.00 0.00 179.01 179.45 2k0f h GLU 116 N -0.33 0.96 -0.47 1.92 4.81 -1.90 -2.81 114.58 116.76 2k0f h GLU 116 Ca 0.12 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 116 Cb 0.53 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 116 CO -0.41 1.05 0.10 -0.24 -0.73 0.00 0.00 179.01 178.77 2k0f h VAL 117 N 0.84 1.24 0.01 0.32 3.04 -0.60 -0.59 116.25 120.50 2k0f h VAL 117 Ca 0.12 -0.85 0.02 0.00 -1.01 0.00 0.00 66.70 64.98 2k0f h VAL 117 Cb 0.73 0.89 -0.06 0.00 -2.01 0.00 0.00 31.29 30.85 2k0f h VAL 117 CO 0.06 0.30 -0.50 -0.78 -1.01 0.00 0.00 177.57 175.64 2k0f h ASP 118 N 0.64 -1.54 -0.93 3.17 3.58 -1.49 -1.79 116.42 118.07 2k0f h ASP 118 Ca 0.15 0.18 0.16 0.00 0.42 0.00 0.00 57.03 57.93 2k0f h ASP 118 Cb 0.34 0.59 -0.10 0.00 1.72 0.00 0.00 39.33 41.88 2k0f h ASP 118 CO 0.00 -0.51 0.53 -0.08 -2.88 0.00 0.00 179.24 176.30 2k0f h GLU 119 N -0.66 0.71 -0.28 0.28 4.81 -1.38 -0.98 114.58 117.09 2k0f h GLU 119 Ca 0.02 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 119 Cb 0.71 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 119 CO -0.34 0.47 0.07 1.98 -0.73 0.00 0.00 179.01 180.46 2k0f h MET 120 N 0.73 0.44 -0.20 1.92 4.05 -0.87 -1.96 114.93 119.04 2k0f h MET 120 Ca 0.51 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.88 2k0f h MET 120 Cb 0.72 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.38 2k0f h MET 120 CO -0.36 0.52 -0.39 0.82 0.23 0.00 0.00 176.91 177.73 2k0f h ILE 121 N 0.28 0.18 -0.90 1.77 1.08 -1.15 -3.09 117.51 115.67 2k0f h ILE 121 Ca 0.09 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.81 2k0f h ILE 121 Cb 0.27 0.18 -0.15 0.00 -3.07 0.00 0.00 36.82 34.05 2k0f h ILE 121 CO -0.00 0.00 0.25 -0.09 -0.69 0.00 0.00 178.15 177.62 2k0f h ARG 122 N -0.43 0.19 -0.40 2.37 2.43 -1.00 -0.50 114.38 117.04 2k0f h ARG 122 Ca 0.10 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 122 Cb 0.60 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2k0f h ARG 122 CO -0.43 0.12 -0.08 1.05 -1.51 0.00 0.00 179.97 179.13 2k0f h GLU 123 N 0.19 0.67 0.09 0.20 4.11 -1.28 -3.32 114.58 115.24 2k0f h GLU 123 Ca 0.58 -0.20 -0.24 0.00 0.07 0.00 0.00 59.36 59.58 2k0f h GLU 123 Cb 1.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2k0f h GLU 123 CO -0.68 0.74 -1.21 0.00 0.07 0.00 0.00 179.01 177.93 2k0f h ALA 124 N 1.30 0.15 -2.74 1.06 0.00 -1.33 -3.47 119.26 114.23 2k0f h ALA 124 Ca 0.12 -1.02 -0.56 0.00 0.00 0.00 0.00 54.91 53.44 2k0f h ALA 124 Cb 0.50 0.44 0.13 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 124 CO 0.03 0.70 0.41 -3.47 0.00 0.00 0.00 179.25 176.91 2k0f n ASP 125 N -4.07 2.13 -0.03 0.00 2.03 -0.26 -4.75 116.55 111.60 2k0f n ASP 125 Ca -0.24 1.03 -0.08 0.00 0.52 0.00 0.00 54.79 56.03 2k0f n ASP 125 Cb 0.82 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.72 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 -0.61 1.19 0.00 5.18 5.41 -1.26 -4.90 119.36 124.37 2k0f n ILE 126 Ca 0.09 0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2k0f n ILE 126 Cb 0.41 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 -3.88 0.00 0.00 4.38 5.68 -1.26 -4.97 116.55 116.50 2k0f n ASP 127 Ca -0.13 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 2k0f n ASP 127 Cb 0.39 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N -0.72 0.00 0.14 6.12 0.00 -1.26 -5.07 105.19 104.39 2k0f n GLY 128 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 2.08 0.00 1.61 5.68 -1.26 -5.01 116.55 119.65 2k0f n ASP 129 Ca 0.00 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2k0f n ASP 129 Cb 0.00 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 2.03 0.11 3.46 6.12 0.00 -1.26 -5.05 105.19 110.61 2k0f n GLY 130 Ca -0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.97 3.11 -0.44 1.61 -0.21 -1.26 -4.68 119.66 116.81 2k0f s GLN 131 Ca 0.00 -0.84 -0.16 0.00 0.02 0.00 0.00 55.36 54.38 2k0f s GLN 131 Cb 0.00 -4.03 0.04 0.00 1.00 0.00 0.00 33.01 30.02 2k0f s GLN 131 CO 0.00 -1.00 0.38 0.08 -2.12 0.00 0.00 175.29 172.63 2k0f s VAL 132 N 2.29 5.18 0.00 1.09 1.01 -0.95 -4.90 120.40 124.12 2k0f s VAL 132 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2k0f s VAL 132 Cb -0.18 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2k0f s VAL 132 CO 0.13 -0.44 0.00 -0.46 0.00 0.00 0.00 175.10 174.32 2k0f n ASN 133 N 5.36 0.00 0.14 3.32 0.23 -1.26 0.11 115.26 123.15 2k0f n ASN 133 Ca -0.10 -0.75 -0.14 0.00 -0.53 0.00 0.00 54.58 53.06 2k0f n ASN 133 Cb 0.46 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.08 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 -0.46 -0.28 -0.56 -2.53 3.20 -1.97 -1.74 116.97 112.63 2k0f h TYR 134 Ca 0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.97 2k0f h TYR 134 Cb 0.00 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 2k0f h TYR 134 CO 0.00 -0.07 0.11 1.49 -1.64 0.00 0.00 178.16 178.05 2k0f h GLU 135 N -0.45 0.23 0.00 1.82 4.81 -1.96 -1.43 114.58 117.60 2k0f h GLU 135 Ca -0.03 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 135 Cb 0.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k0f h GLU 135 CO 0.05 0.15 -0.12 0.93 -0.73 0.00 0.00 179.01 179.29 2k0f h GLU 136 N 0.24 0.00 0.10 1.92 5.08 -1.86 0.12 114.58 120.18 2k0f h GLU 136 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 136 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k0f h GLU 136 CO -0.38 0.12 -0.05 0.35 -1.00 0.00 0.00 179.01 178.05 2k0f h PHE 137 N 0.00 -0.13 -0.18 4.33 3.57 -1.10 -3.25 116.94 120.18 2k0f h PHE 137 Ca -0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 137 Cb 0.22 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2k0f h PHE 137 CO 0.00 0.26 -0.41 -0.24 -2.23 0.00 0.00 178.31 175.69 2k0f h VAL 138 N -0.97 1.31 0.00 1.41 3.04 -1.22 -2.06 116.25 117.76 2k0f h VAL 138 Ca -0.01 -1.55 -0.00 0.00 -1.01 0.00 0.00 66.70 64.12 2k0f h VAL 138 Cb 0.44 1.61 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2k0f h VAL 138 CO 0.02 0.48 -0.01 1.56 -1.01 0.00 0.00 177.57 178.61 2k0f h GLN 139 N 0.34 0.00 -0.40 4.17 4.20 -0.95 -1.96 115.11 120.52 2k0f h GLN 139 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2k0f h GLN 139 Cb 0.86 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2k0f h GLN 139 CO 0.07 0.01 0.11 1.98 -0.67 0.00 0.00 178.83 180.33 2k0f h MET 140 N 0.00 0.63 0.15 1.46 4.05 -1.41 -3.35 114.93 116.46 2k0f h MET 140 Ca -0.00 -0.15 -0.29 0.00 -0.28 0.00 0.00 59.70 58.98 2k0f h MET 140 Cb 0.17 -0.09 0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2k0f h MET 140 CO 0.00 0.65 -1.28 0.52 0.23 0.00 0.00 176.91 177.03 2k0f h MET 141 N 0.50 0.43 0.00 0.39 2.86 -1.17 -3.52 114.93 114.43 2k0f h MET 141 Ca 0.13 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2k0f h MET 141 Cb 0.29 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2k0f h MET 141 CO -0.00 1.30 0.00 0.25 1.06 0.00 0.00 176.91 179.52