#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 0.08 -0.09 -0.78 5.08 -2.05 -2.68 114.58 114.14 2k0f h GLU 2 Ca 0.00 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 2 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2k0f h GLU 2 CO 0.00 0.05 -0.77 0.93 -1.00 0.00 0.00 179.01 178.23 2k0f h GLU 3 N 0.08 0.50 -0.17 2.33 3.07 -2.05 -2.35 114.58 115.99 2k0f h GLU 3 Ca 0.49 -0.42 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 2k0f h GLU 3 Cb 0.92 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 2k0f h GLU 3 CO -0.76 1.05 -0.38 1.96 -1.40 0.00 0.00 179.01 179.49 2k0f h GLN 4 N 0.33 0.37 -0.07 2.33 7.50 -1.92 -1.41 115.11 122.25 2k0f h GLN 4 Ca -0.04 -0.17 -0.24 0.00 0.50 0.00 0.00 58.65 58.70 2k0f h GLN 4 Cb 1.36 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.90 2k0f h GLN 4 CO 0.14 0.70 -0.91 0.82 -1.50 0.00 0.00 178.83 178.08 2k0f h ILE 5 N 0.31 1.30 -0.32 2.54 1.08 -1.38 -2.87 117.51 118.17 2k0f h ILE 5 Ca 0.03 -2.15 -0.05 0.00 -0.39 0.00 0.00 64.86 62.30 2k0f h ILE 5 Cb 0.81 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.75 2k0f h ILE 5 CO 0.06 0.67 -0.00 0.00 -0.69 0.00 0.00 178.15 178.19 2k0f h ALA 6 N 0.53 1.40 -0.11 1.87 0.00 -1.28 -0.28 119.26 121.39 2k0f h ALA 6 Ca -0.09 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 6 Cb 1.55 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2k0f h ALA 6 CO 0.18 0.42 -0.67 0.93 0.00 0.00 0.00 179.25 180.11 2k0f h GLU 7 N 0.48 0.65 -0.27 0.00 5.08 -1.25 -1.88 114.58 117.38 2k0f h GLU 7 Ca 0.10 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 7 Cb 0.32 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2k0f h GLU 7 CO 0.01 1.17 -0.01 0.74 -1.00 0.00 0.00 179.01 179.92 2k0f h PHE 8 N 0.31 0.42 -0.38 4.33 0.04 -1.26 -1.89 116.94 118.52 2k0f h PHE 8 Ca -0.05 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 2k0f h PHE 8 Cb 1.31 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2k0f h PHE 8 CO 0.10 0.44 -0.31 -0.22 -0.60 0.00 0.00 178.31 177.72 2k0f h LYS 9 N 0.40 0.84 0.00 1.51 3.64 -1.04 0.22 116.57 122.15 2k0f h LYS 9 Ca 0.09 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 58.98 2k0f h LYS 9 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2k0f h LYS 9 CO 0.01 1.03 -0.46 1.49 -2.27 0.00 0.00 179.45 179.25 2k0f h GLU 10 N 0.71 0.00 -0.18 1.90 4.81 -1.21 -2.39 114.58 118.21 2k0f h GLU 10 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 10 Cb 0.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2k0f h GLU 10 CO 0.08 0.46 -0.00 0.00 -0.73 0.00 0.00 179.01 178.81 2k0f h ALA 11 N 1.54 0.25 -1.01 2.92 0.00 -1.31 -3.02 119.26 118.62 2k0f h ALA 11 Ca -0.00 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 11 Cb 1.07 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2k0f h ALA 11 CO 0.06 -0.03 0.62 0.35 0.00 0.00 0.00 179.25 180.25 2k0f h PHE 12 N 0.08 0.90 0.00 0.00 3.04 -0.63 -0.67 116.94 119.66 2k0f h PHE 12 Ca 0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.03 2k0f h PHE 12 Cb 0.40 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2k0f h PHE 12 CO 0.04 0.10 0.00 0.43 -2.02 0.00 0.00 178.31 176.86 2k0f n SER 13 N -4.76 0.00 0.04 0.41 7.64 -0.93 -1.22 113.62 114.80 2k0f n SER 13 Ca 0.25 -0.96 0.13 0.00 1.01 0.00 0.00 58.87 59.31 2k0f n SER 13 Cb 0.75 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 64.35 2k0f n SER 13 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k0f n LEU 14 N -0.96 0.45 0.00 -3.43 4.77 -0.26 -3.69 117.00 113.88 2k0f n LEU 14 Ca 0.20 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2k0f n LEU 14 Cb 0.09 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2k0f n LEU 14 CO 0.15 -0.03 0.00 0.49 -1.33 0.00 0.00 177.39 176.67 2k0f n PHE 15 N -1.82 0.00 -1.82 -1.77 3.72 -0.82 -4.69 117.46 110.27 2k0f n PHE 15 Ca 0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.25 2k0f n PHE 15 Cb 0.38 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.85 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 -4.43 4.33 0.24 4.37 2.15 -0.35 -4.71 116.67 118.26 2k0f s ASP 16 Ca 0.00 -0.84 0.13 0.00 0.43 0.00 0.00 52.55 52.27 2k0f s ASP 16 Cb 0.00 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 16 CO 0.00 -3.67 1.42 0.11 -0.17 0.00 0.00 175.17 172.85 2k0f h LYS 17 N 11.31 0.00 -0.08 4.34 1.57 -1.83 -3.32 116.57 128.55 2k0f h LYS 17 Ca 0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 2k0f h LYS 17 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2k0f h LYS 17 CO 1.11 0.63 -0.78 -0.44 -0.57 0.00 0.00 179.45 179.40 2k0f h ASP 18 N 0.00 0.61 -0.12 0.86 3.32 -1.89 -3.49 116.42 115.72 2k0f h ASP 18 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2k0f h ASP 18 Cb 1.46 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2k0f h ASP 18 CO 0.08 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.39 2k0f n GLY 19 N 0.65 1.30 0.11 2.75 0.00 -1.25 -5.01 105.19 103.75 2k0f n GLY 19 Ca -0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.40 1.23 0.00 1.61 5.68 -1.26 -5.02 116.55 119.20 2k0f n ASP 20 Ca 0.00 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2k0f n ASP 20 Cb 0.11 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.80 0.86 3.44 6.12 0.00 -1.26 -5.12 105.19 111.04 2k0f n GLY 21 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 2.40 -0.32 2.61 -4.23 -1.26 -3.59 115.64 109.25 2k0f s THR 22 Ca 0.00 -2.23 -0.06 0.00 -1.18 0.00 0.00 61.69 58.23 2k0f s THR 22 Cb 0.00 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.66 2k0f s THR 22 CO 0.00 -0.27 0.07 -0.63 -0.54 0.00 0.00 174.62 173.25 2k0f s ILE 23 N -2.13 3.65 0.94 2.99 1.01 -0.73 -4.68 121.20 122.24 2k0f s ILE 23 Ca 0.25 -1.07 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2k0f s ILE 23 Cb -0.06 -3.02 0.15 0.00 0.01 0.00 0.00 42.46 39.55 2k0f s ILE 23 CO 0.12 -0.09 1.13 0.42 0.00 0.00 0.00 174.94 176.53 2k0f s THR 24 N 1.40 1.99 0.29 2.92 -4.23 -1.26 -1.10 115.64 115.65 2k0f s THR 24 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 2k0f s THR 24 Cb -0.19 -2.70 0.19 0.00 1.34 0.00 0.00 72.50 71.14 2k0f s THR 24 CO 0.02 0.00 1.87 0.71 -0.54 0.00 0.00 174.62 176.68 2k0f h THR 25 N -1.61 1.22 0.00 3.99 1.35 -1.92 -2.36 112.91 113.58 2k0f h THR 25 Ca -0.51 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2k0f h THR 25 Cb 1.33 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2k0f h THR 25 CO 0.60 0.27 -0.01 2.29 -0.25 0.00 0.00 175.52 178.42 2k0f n LYS 26 N -4.32 0.21 0.08 4.72 2.85 -1.26 -0.91 118.16 119.53 2k0f n LYS 26 Ca 0.05 0.17 -0.16 0.00 -1.05 0.00 0.00 58.31 57.32 2k0f n LYS 26 Cb 0.17 -1.75 -0.09 0.00 -0.65 0.00 0.00 35.03 32.72 2k0f n LYS 26 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2k0f h GLU 27 N 0.00 0.45 -0.19 -1.58 5.08 -1.79 -1.14 114.58 115.42 2k0f h GLU 27 Ca 0.00 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 2k0f h GLU 27 Cb 0.69 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2k0f h GLU 27 CO 0.00 1.20 0.09 1.25 -1.00 0.00 0.00 179.01 180.55 2k0f h LEU 28 N 0.22 0.24 -1.11 1.33 5.85 -1.43 -3.13 115.31 117.28 2k0f h LEU 28 Ca -0.12 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.60 2k0f h LEU 28 Cb 1.74 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.63 2k0f h LEU 28 CO 0.19 0.28 0.61 1.23 -0.34 0.00 0.00 178.44 180.41 2k0f h GLY 29 N 0.18 1.46 0.80 3.75 0.00 -1.04 -0.64 103.07 107.58 2k0f h GLY 29 Ca 0.06 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.03 2k0f h GLY 29 CO -0.01 0.18 0.22 -0.84 0.00 0.00 0.00 176.54 176.09 2k0f h THR 30 N 0.93 0.98 -0.16 4.70 2.02 -1.15 0.74 112.91 120.97 2k0f h THR 30 Ca 0.46 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 67.40 2k0f h THR 30 Cb 0.48 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2k0f h THR 30 CO -0.22 0.08 -0.25 0.58 0.37 0.00 0.00 175.52 176.08 2k0f h VAL 31 N 0.44 1.35 -0.70 3.16 2.07 -1.13 -0.83 116.25 120.61 2k0f h VAL 31 Ca 0.18 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 2k0f h VAL 31 Cb 0.08 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2k0f h VAL 31 CO -0.12 0.44 0.16 0.24 0.02 0.00 0.00 177.57 178.31 2k0f h MET 32 N 0.08 1.12 0.00 1.57 2.86 -1.14 -1.79 114.93 117.63 2k0f h MET 32 Ca 0.02 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.26 2k0f h MET 32 Cb 0.82 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2k0f h MET 32 CO 0.06 0.99 -0.61 -0.09 1.06 0.00 0.00 176.91 178.32 2k0f h ARG 33 N 1.06 0.00 -0.66 1.72 2.43 -0.76 -0.95 114.38 117.22 2k0f h ARG 33 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 33 Cb 0.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2k0f h ARG 33 CO 0.00 0.61 0.29 0.77 -1.51 0.00 0.00 179.97 180.14 2k0f h SER 34 N 0.00 0.87 0.11 -3.80 0.02 -0.73 -3.17 113.55 106.85 2k0f h SER 34 Ca -0.01 -0.10 -0.28 0.00 -0.84 0.00 0.00 61.79 60.56 2k0f h SER 34 Cb 1.13 -0.22 0.03 0.00 0.14 0.00 0.00 62.40 63.48 2k0f h SER 34 CO 0.08 0.75 -1.18 -0.07 -1.14 0.00 0.00 176.83 175.27 2k0f h LEU 35 N 0.94 0.85 0.00 5.07 3.38 -0.95 -3.47 115.31 121.13 2k0f h LEU 35 Ca 0.23 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2k0f h LEU 35 Cb 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2k0f h LEU 35 CO -0.03 1.58 0.00 0.61 0.09 0.00 0.00 178.44 180.70 2k0f n GLY 36 N 1.37 0.67 3.08 0.83 0.00 -0.40 -5.10 105.19 105.64 2k0f n GLY 36 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 2.00 -0.61 1.61 0.74 -0.96 -5.03 119.66 117.41 2k0f s GLN 37 Ca 0.00 -0.54 -0.11 0.00 0.05 0.00 0.00 55.36 54.75 2k0f s GLN 37 Cb 0.00 -1.62 0.16 0.00 1.10 0.00 0.00 33.01 32.65 2k0f s GLN 37 CO 0.00 0.10 0.52 -0.80 -0.55 0.00 0.00 175.29 174.55 2k0f s ASN 38 N 0.49 6.06 0.64 6.67 0.01 -1.26 -3.03 114.94 124.53 2k0f s ASN 38 Ca -0.14 -2.22 -0.12 0.00 -0.71 0.00 0.00 52.86 49.67 2k0f s ASN 38 Cb -0.16 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2k0f s ASN 38 CO 0.05 -0.66 1.04 -2.16 -1.51 0.00 0.00 177.10 173.86 2k0f s PRO 39 N 0.90 3.29 0.60 -0.60 0.04 -1.26 -5.09 135.00 132.87 2k0f s PRO 39 Ca 0.10 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 2k0f s PRO 39 Cb -0.22 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2k0f s PRO 39 CO -0.02 -0.81 0.92 0.95 0.04 0.00 0.00 177.00 178.07 2k0f s THR 40 N -2.95 3.76 0.14 1.26 -4.23 -1.26 -4.99 115.64 107.37 2k0f s THR 40 Ca 0.58 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 61.05 2k0f s THR 40 Cb -0.13 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2k0f s THR 40 CO 0.49 -0.53 1.59 -0.08 -0.54 0.00 0.00 174.62 175.55 2k0f h GLU 41 N -0.20 0.80 -0.47 3.99 4.81 -1.99 -2.48 114.58 119.04 2k0f h GLU 41 Ca -0.45 -0.25 0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2k0f h GLU 41 Cb 1.25 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2k0f h GLU 41 CO 0.61 0.86 0.09 0.00 -0.73 0.00 0.00 179.01 179.84 2k0f h ALA 42 N 0.92 0.52 -0.81 2.92 0.00 -2.00 -2.49 119.26 118.30 2k0f h ALA 42 Ca 0.13 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2k0f h ALA 42 Cb 0.49 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2k0f h ALA 42 CO 0.02 -0.31 0.54 0.93 0.00 0.00 0.00 179.25 180.43 2k0f h GLU 43 N 0.23 1.00 -0.13 0.00 5.08 -1.85 -2.42 114.58 116.48 2k0f h GLU 43 Ca 0.23 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 43 Cb 0.30 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 43 CO -0.30 0.66 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.71 2k0f h LEU 44 N 1.03 0.49 -0.90 1.33 3.38 -1.03 0.27 115.31 119.88 2k0f h LEU 44 Ca 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 44 Cb -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2k0f h LEU 44 CO -0.09 0.97 0.41 1.56 0.09 0.00 0.00 178.44 181.38 2k0f h GLN 45 N 0.33 1.20 -0.08 1.13 4.20 -1.13 -2.42 115.11 118.34 2k0f h GLN 45 Ca -0.00 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 2k0f h GLN 45 Cb 1.12 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 2k0f h GLN 45 CO 0.10 0.91 -0.06 0.22 -0.67 0.00 0.00 178.83 179.33 2k0f h ASP 46 N 1.19 0.20 -1.01 1.46 3.58 -0.91 0.38 116.42 121.31 2k0f h ASP 46 Ca 0.29 -0.45 0.25 0.00 0.42 0.00 0.00 57.03 57.54 2k0f h ASP 46 Cb 0.10 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 40.98 2k0f h ASP 46 CO -0.04 0.61 0.61 0.24 -2.88 0.00 0.00 179.24 177.79 2k0f h MET 47 N -0.21 0.53 0.04 0.28 2.86 -0.94 -2.60 114.93 114.89 2k0f h MET 47 Ca 0.02 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 47 Cb 0.55 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2k0f h MET 47 CO 0.02 0.35 -0.27 0.82 1.06 0.00 0.00 176.91 178.88 2k0f h ILE 48 N 0.54 1.68 0.00 -1.22 1.08 -0.87 -3.39 117.51 115.32 2k0f h ILE 48 Ca 0.64 -2.39 -0.00 0.00 -0.39 0.00 0.00 64.86 62.72 2k0f h ILE 48 Cb 1.29 3.29 -0.00 0.00 -3.07 0.00 0.00 36.82 38.33 2k0f h ILE 48 CO -0.44 0.62 -0.02 0.78 -0.69 0.00 0.00 178.15 178.40 2k0f h ASN 49 N -0.84 0.00 -0.56 1.72 2.35 -0.05 0.52 115.58 118.72 2k0f h ASN 49 Ca -0.06 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 2k0f h ASN 49 Cb 1.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2k0f h ASN 49 CO 0.03 0.02 0.07 -0.08 -1.65 0.00 0.00 177.43 175.81 2k0f h GLU 50 N 0.00 0.97 0.00 0.81 4.81 -1.67 -3.32 114.58 116.19 2k0f h GLU 50 Ca -0.00 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 50 Cb 0.05 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2k0f h GLU 50 CO 0.00 0.92 -2.00 1.33 -0.73 0.00 0.00 179.01 178.53 2k0f n VAL 51 N -4.22 0.57 -1.60 0.32 0.24 -0.90 -4.94 118.33 107.80 2k0f n VAL 51 Ca 0.04 -0.57 -0.46 0.00 -2.04 0.00 0.00 64.34 61.31 2k0f n VAL 51 Cb 0.29 -0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.39 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -2.38 3.21 -0.03 -1.34 2.03 0.13 -4.93 116.55 113.25 2k0f n ASP 52 Ca -0.15 0.57 -0.01 0.00 0.52 0.00 0.00 54.79 55.72 2k0f n ASP 52 Cb 0.76 -1.43 -0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 12.14 0.00 -0.08 -1.67 0.00 -1.90 -3.42 119.26 124.34 2k0f h ALA 53 Ca -0.42 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 53 Cb 1.27 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 53 CO 0.97 0.14 -0.20 0.38 0.00 0.00 0.00 179.25 180.53 2k0f h ASP 54 N -0.45 -0.61 0.00 0.00 3.04 -1.94 -3.47 116.42 112.99 2k0f h ASP 54 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 2k0f h ASP 54 Cb 0.14 0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2k0f h ASP 54 CO 0.00 -0.26 0.00 0.61 -2.04 0.00 0.00 179.24 177.55 2k0f n GLY 55 N -1.33 1.01 0.21 7.15 0.00 -1.26 -5.04 105.19 105.93 2k0f n GLY 55 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.47 115.58 118.85 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 0.22 0.00 0.61 -2.08 0.00 0.00 177.43 176.18 2k0f n GLY 57 N 0.43 0.99 3.26 9.14 0.00 -1.26 -5.08 105.19 112.67 2k0f n GLY 57 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 0.75 -0.30 2.61 -4.23 -1.26 -4.53 115.64 106.68 2k0f s THR 58 Ca 0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 2k0f s THR 58 Cb 0.00 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 2k0f s THR 58 CO 0.00 -0.44 0.12 -0.51 -0.54 0.00 0.00 174.62 173.25 2k0f s ILE 59 N -3.61 4.41 0.58 2.99 2.07 -0.25 -4.84 121.20 122.55 2k0f s ILE 59 Ca 0.25 -0.46 -0.05 0.00 -1.41 0.00 0.00 60.65 58.98 2k0f s ILE 59 Cb 0.06 -3.23 0.01 0.00 0.13 0.00 0.00 42.46 39.42 2k0f s ILE 59 CO 0.05 0.10 0.88 -1.81 -1.91 0.00 0.00 174.94 172.25 2k0f s ASP 60 N 1.59 5.59 0.10 4.50 1.11 -1.26 -1.77 116.67 126.53 2k0f s ASP 60 Ca 0.04 0.66 -0.34 0.00 0.18 0.00 0.00 52.55 53.09 2k0f s ASP 60 Cb -0.17 -1.66 -0.14 0.00 1.07 0.00 0.00 42.92 42.02 2k0f s ASP 60 CO 0.05 -1.04 1.57 0.15 1.18 0.00 0.00 175.17 177.08 2k0f h PHE 61 N -0.13 -1.34 -0.49 4.23 3.57 -1.98 -1.79 116.94 119.02 2k0f h PHE 61 Ca -0.45 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.21 2k0f h PHE 61 Cb 1.26 0.55 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 2k0f h PHE 61 CO 0.47 -0.59 0.37 -1.00 -2.23 0.00 0.00 178.31 175.33 2k0f h PRO 62 N -0.80 0.00 0.01 6.41 0.13 -1.95 -0.13 132.00 135.67 2k0f h PRO 62 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 2k0f h PRO 62 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2k0f h PRO 62 CO -0.19 0.00 -0.18 0.93 -0.23 0.00 0.00 178.00 178.33 2k0f h GLU 63 N 0.00 0.11 -0.89 0.86 5.08 -1.86 -0.71 114.58 117.16 2k0f h GLU 63 Ca 0.23 -0.13 0.17 0.00 -1.00 0.00 0.00 59.36 58.63 2k0f h GLU 63 Cb 0.97 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.10 2k0f h GLU 63 CO -0.00 0.92 -0.25 0.34 -1.00 0.00 0.00 179.01 179.01 2k0f n PHE 64 N -4.55 0.24 -0.12 4.33 -0.00 -0.70 -0.88 117.46 115.77 2k0f n PHE 64 Ca -0.10 1.09 -0.12 0.00 -0.00 0.00 0.00 57.45 58.31 2k0f n PHE 64 Cb 0.49 -0.97 -0.02 0.00 -0.00 0.00 0.00 39.48 38.98 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2k0f h LEU 65 N 0.00 0.89 -0.69 -2.13 5.85 -0.92 -1.54 115.31 116.78 2k0f h LEU 65 Ca 0.40 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 65 Cb 0.62 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2k0f h LEU 65 CO -0.91 1.13 0.20 0.74 -0.34 0.00 0.00 178.44 179.27 2k0f h THR 66 N 0.65 1.26 -0.42 1.05 2.02 -0.66 -0.94 112.91 115.86 2k0f h THR 66 Ca 0.07 -0.91 -0.12 0.00 0.77 0.00 0.00 66.41 66.22 2k0f h THR 66 Cb 0.84 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2k0f h THR 66 CO 0.07 0.35 -0.22 -0.03 0.37 0.00 0.00 175.52 176.06 2k0f h MET 67 N 1.02 0.89 0.17 6.66 1.85 -0.92 -3.33 114.93 121.27 2k0f h MET 67 Ca 0.22 -0.40 -0.31 0.00 -0.61 0.00 0.00 59.70 58.60 2k0f h MET 67 Cb 0.32 -0.02 0.03 0.00 0.43 0.00 0.00 31.60 32.36 2k0f h MET 67 CO -0.00 1.05 -1.33 1.98 -0.40 0.00 0.00 176.91 178.21 2k0f h MET 68 N 0.72 0.53 0.00 0.39 -1.53 -0.84 -3.35 114.93 110.84 2k0f h MET 68 Ca 0.09 -0.80 0.00 0.00 -3.44 0.00 0.00 59.70 55.56 2k0f h MET 68 Cb 0.79 0.28 0.00 0.00 -0.55 0.00 0.00 31.60 32.12 2k0f h MET 68 CO 0.06 1.37 0.00 0.00 0.14 0.00 0.00 176.91 178.48 2k0f n ALA 69 N -2.66 1.88 -1.23 0.39 0.00 -0.40 -4.85 120.51 113.64 2k0f n ALA 69 Ca -0.14 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 2k0f n ALA 69 Cb 1.03 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 19.25 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -3.03 2.16 -0.14 0.00 3.52 -1.25 -5.07 118.95 115.13 2k0f s ARG 70 Ca 0.09 1.36 -0.02 0.00 -0.13 0.00 0.00 55.73 57.03 2k0f s ARG 70 Cb 0.12 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 2k0f s ARG 70 CO 0.37 -1.74 -0.09 0.21 -0.81 0.00 0.00 175.30 173.24 2k0f s LYS 71 N -4.55 3.51 0.43 5.12 2.20 -1.26 -5.11 119.74 120.08 2k0f s LYS 71 Ca 0.65 -0.61 0.08 0.00 -0.36 0.00 0.00 55.97 55.73 2k0f s LYS 71 Cb -0.20 -2.77 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2k0f s LYS 71 CO 0.52 0.21 0.53 -1.64 -0.36 0.00 0.00 175.35 174.60 2k0f s MET 72 N 0.40 2.71 0.78 4.03 -1.94 -1.26 -5.12 119.30 118.90 2k0f s MET 72 Ca -0.07 -1.35 -0.10 0.00 -1.71 0.00 0.00 55.69 52.45 2k0f s MET 72 Cb -0.15 -2.64 0.08 0.00 2.01 0.00 0.00 34.83 34.13 2k0f s MET 72 CO 0.04 -0.29 1.13 -1.59 -0.01 0.00 0.00 175.02 174.30 2k0f s LYS 73 N -4.31 1.95 0.20 2.03 -2.85 -1.26 -4.84 119.74 110.66 2k0f s LYS 73 Ca 0.53 -0.06 -0.09 0.00 -1.00 0.00 0.00 55.97 55.35 2k0f s LYS 73 Cb -0.08 -2.02 0.13 0.00 -2.06 0.00 0.00 37.83 33.79 2k0f s LYS 73 CO 0.32 -1.53 1.74 -0.44 0.10 0.00 0.00 175.35 175.54 2k0f h ASP 74 N -0.94 1.06 -0.12 0.03 3.32 -2.00 0.90 116.42 118.68 2k0f h ASP 74 Ca -0.45 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.37 2k0f h ASP 74 Cb 1.32 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k0f h ASP 74 CO 0.62 0.99 -0.02 0.00 -1.72 0.00 0.00 179.24 179.11 2k0f h THR 75 N 1.08 1.27 -0.36 0.35 1.03 -1.99 -1.75 112.91 112.54 2k0f h THR 75 Ca 0.24 -0.90 -0.03 0.00 -0.01 0.00 0.00 66.41 65.70 2k0f h THR 75 Cb 0.30 1.64 -0.02 0.00 -1.07 0.00 0.00 68.15 69.00 2k0f h THR 75 CO -0.01 0.26 0.08 0.44 -0.01 0.00 0.00 175.52 176.28 2k0f h ASP 76 N -0.08 0.48 0.89 0.00 3.32 -1.88 -1.01 116.42 118.15 2k0f h ASP 76 Ca 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k0f h ASP 76 Cb 0.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2k0f h ASP 76 CO 0.01 0.49 0.00 -1.20 -1.72 0.00 0.00 179.24 176.82 2k0f n SER 77 N -4.34 0.01 -0.08 6.45 7.64 0.28 -2.06 113.62 121.52 2k0f n SER 77 Ca 0.02 0.50 -0.23 0.00 1.01 0.00 0.00 58.87 60.17 2k0f n SER 77 Cb 0.19 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.76 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0f n GLU 78 N -1.51 0.64 -0.24 1.43 2.13 -0.67 -4.45 120.64 117.98 2k0f n GLU 78 Ca 0.06 0.34 0.11 0.00 0.66 0.00 0.00 57.16 58.33 2k0f n GLU 78 Cb 0.30 -1.64 0.39 0.00 0.27 0.00 0.00 31.44 30.76 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N -0.51 0.66 0.00 5.31 4.57 -1.19 -1.60 114.58 121.82 2k0f h GLU 79 Ca -0.49 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 2k0f h GLU 79 Cb 1.69 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 30.13 2k0f h GLU 79 CO -0.15 0.43 -0.12 1.05 -1.18 0.00 0.00 179.01 179.05 2k0f h GLU 80 N 0.68 0.00 0.01 1.92 4.11 -1.63 -0.49 114.58 119.17 2k0f h GLU 80 Ca 0.40 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.83 2k0f h GLU 80 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 80 CO -0.17 0.12 -0.00 0.82 0.07 0.00 0.00 179.01 179.85 2k0f h ILE 81 N 0.00 1.59 0.09 -1.06 2.04 -1.53 -2.33 117.51 116.31 2k0f h ILE 81 Ca -0.00 -2.09 0.02 0.00 1.00 0.00 0.00 64.86 63.79 2k0f h ILE 81 Cb 0.45 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 2k0f h ILE 81 CO 0.02 0.52 -0.32 -0.09 0.00 0.00 0.00 178.15 178.28 2k0f h ARG 82 N -0.95 -0.50 0.00 2.37 2.43 -1.44 -0.99 114.38 115.29 2k0f h ARG 82 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 82 Cb 0.86 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2k0f h ARG 82 CO 0.00 -0.34 0.00 0.93 -1.51 0.00 0.00 179.97 179.06 2k0f h GLU 83 N -0.52 0.00 0.01 0.20 4.39 -1.19 -1.47 114.58 116.00 2k0f h GLU 83 Ca 0.04 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 83 Cb 0.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2k0f h GLU 83 CO -0.21 0.00 -0.93 0.00 -1.16 0.00 0.00 179.01 176.71 2k0f h ALA 84 N 2.07 0.47 -0.20 3.43 0.00 -0.77 -3.14 119.26 121.12 2k0f h ALA 84 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 84 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k0f h ALA 84 CO 0.00 1.07 -0.56 0.35 0.00 0.00 0.00 179.25 180.11 2k0f h PHE 85 N 0.03 0.77 -0.06 0.00 3.57 -0.18 0.27 116.94 121.33 2k0f h PHE 85 Ca -0.03 -0.27 0.01 0.00 3.53 0.00 0.00 57.97 61.21 2k0f h PHE 85 Cb 1.62 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 2k0f h PHE 85 CO 0.01 1.02 0.04 -0.09 -2.23 0.00 0.00 178.31 177.07 2k0f h ARG 86 N 0.47 0.03 0.15 1.11 2.43 -1.48 0.50 114.38 117.58 2k0f h ARG 86 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 86 Cb 1.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2k0f h ARG 86 CO 0.11 0.02 -0.07 0.28 -1.51 0.00 0.00 179.97 178.79 2k0f h VAL 87 N 0.03 0.72 -0.71 0.20 2.07 -1.34 -3.36 116.25 113.86 2k0f h VAL 87 Ca 0.03 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2k0f h VAL 87 Cb 0.08 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2k0f h VAL 87 CO -0.00 0.20 0.32 -0.26 0.02 0.00 0.00 177.57 177.85 2k0f h PHE 88 N -0.93 1.05 -3.21 1.57 0.04 -0.76 -3.42 116.94 111.27 2k0f h PHE 88 Ca -0.02 -0.06 -0.58 0.00 2.80 0.00 0.00 57.97 60.11 2k0f h PHE 88 Cb 0.49 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 2k0f h PHE 88 CO 0.08 0.79 0.77 0.34 -0.60 0.00 0.00 178.31 179.70 2k0f s ASP 89 N -6.18 6.98 -0.12 2.17 2.15 0.18 -4.49 116.67 117.36 2k0f s ASP 89 Ca -0.13 1.17 -0.26 0.00 0.43 0.00 0.00 52.55 53.77 2k0f s ASP 89 Cb 0.14 -2.53 -0.27 0.00 -0.30 0.00 0.00 42.92 39.97 2k0f s ASP 89 CO 0.81 -0.74 0.73 0.50 -0.17 0.00 0.00 175.17 176.30 2k0f h LYS 90 N 7.77 0.09 0.12 4.34 1.63 -1.86 -3.43 116.57 125.24 2k0f h LYS 90 Ca -0.20 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 2k0f h LYS 90 Cb 1.06 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2k0f h LYS 90 CO 0.99 1.07 -0.06 0.38 -3.45 0.00 0.00 179.45 178.38 2k0f h ASP 91 N -0.80 -0.14 0.00 4.20 3.04 -1.96 -3.49 116.42 117.26 2k0f h ASP 91 Ca -0.09 -0.21 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2k0f h ASP 91 Cb 1.24 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2k0f h ASP 91 CO 0.02 0.43 0.00 0.61 -2.04 0.00 0.00 179.24 178.26 2k0f n GLY 92 N 1.22 1.58 0.03 7.15 0.00 -1.26 -5.03 105.19 108.87 2k0f n GLY 92 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 0.13 -0.54 1.61 0.23 -1.26 -5.02 115.26 110.40 2k0f n ASN 93 Ca 0.00 0.05 -0.03 0.00 -0.53 0.00 0.00 54.58 54.07 2k0f n ASN 93 Cb 0.00 1.67 0.00 0.00 -2.08 0.00 0.00 39.78 39.37 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.30 0.38 2.95 4.83 0.00 -1.26 -5.04 105.19 108.34 2k0f n GLY 94 Ca -0.06 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.42 1.96 -0.33 1.61 1.51 -1.26 -4.34 117.35 114.09 2k0f s TYR 95 Ca 0.03 -1.21 -0.24 0.00 -1.01 0.00 0.00 57.07 54.64 2k0f s TYR 95 Cb -0.01 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 2k0f s TYR 95 CO 0.03 -0.65 0.84 0.42 -1.11 0.00 0.00 175.55 175.08 2k0f s ILE 96 N 1.55 4.72 0.56 2.71 -1.09 -0.25 -4.79 121.20 124.61 2k0f s ILE 96 Ca 0.02 1.17 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 2k0f s ILE 96 Cb -0.15 -4.22 0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2k0f s ILE 96 CO -0.08 -0.36 0.79 -0.94 -1.23 0.00 0.00 174.94 173.12 2k0f s SER 97 N 1.71 5.21 0.07 3.58 1.04 -1.26 -1.82 113.70 122.23 2k0f s SER 97 Ca 0.34 -0.06 -0.35 0.00 0.48 0.00 0.00 55.95 56.37 2k0f s SER 97 Cb -0.13 -0.79 -0.19 0.00 0.10 0.00 0.00 66.02 65.01 2k0f s SER 97 CO 0.15 -1.19 1.60 0.00 0.98 0.00 0.00 173.24 174.77 2k0f h ALA 98 N 0.04 -1.07 -0.90 5.32 0.00 -1.94 0.06 119.26 120.76 2k0f h ALA 98 Ca -0.41 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 98 Cb 1.29 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 2k0f h ALA 98 CO 0.51 -1.11 0.56 0.00 0.00 0.00 0.00 179.25 179.21 2k0f h ALA 99 N -0.84 1.24 -0.00 0.00 0.00 -1.97 0.68 119.26 118.37 2k0f h ALA 99 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 99 Cb 0.83 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 99 CO 0.13 0.31 0.00 0.93 0.00 0.00 0.00 179.25 180.62 2k0f h GLU 100 N 1.02 0.01 0.19 0.00 5.08 -1.83 -1.39 114.58 117.65 2k0f h GLU 100 Ca 0.39 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2k0f h GLU 100 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 100 CO -0.18 0.15 -0.18 1.25 -1.00 0.00 0.00 179.01 179.05 2k0f h LEU 101 N -0.14 -0.48 -2.08 1.33 5.85 -0.86 -3.17 115.31 115.77 2k0f h LEU 101 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2k0f h LEU 101 Cb 0.15 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2k0f h LEU 101 CO -0.00 -0.27 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.71 2k0f h ARG 102 N -0.40 0.00 -0.25 1.25 2.43 -0.72 0.10 114.38 116.79 2k0f h ARG 102 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 102 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 102 CO -0.04 0.03 -0.38 1.25 -1.51 0.00 0.00 179.97 179.32 2k0f h HIS 103 N 0.00 0.66 -0.46 2.20 2.76 -1.22 -1.95 115.15 117.14 2k0f h HIS 103 Ca -0.00 -0.19 -0.14 0.00 -2.20 0.00 0.00 60.37 57.85 2k0f h HIS 103 Cb 0.31 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2k0f h HIS 103 CO 0.00 0.86 -0.24 0.28 -1.30 0.00 0.00 177.93 177.53 2k0f h VAL 104 N 0.47 1.27 -0.20 5.26 2.07 -1.07 -2.88 116.25 121.16 2k0f h VAL 104 Ca 0.04 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.21 2k0f h VAL 104 Cb 0.88 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2k0f h VAL 104 CO 0.07 0.48 -0.14 0.24 0.02 0.00 0.00 177.57 178.24 2k0f h MET 105 N 0.84 -0.14 -0.00 1.57 2.07 -0.93 -1.57 114.93 116.76 2k0f h MET 105 Ca 0.10 0.01 -0.18 0.00 -2.07 0.00 0.00 59.70 57.56 2k0f h MET 105 Cb 0.82 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.57 2k0f h MET 105 CO 0.07 -0.09 -0.83 1.79 1.07 0.00 0.00 176.91 178.92 2k0f h THR 106 N -0.14 1.51 0.00 2.22 1.35 -1.41 0.30 112.91 116.75 2k0f h THR 106 Ca 0.12 -2.60 -0.05 0.00 -0.55 0.00 0.00 66.41 63.34 2k0f h THR 106 Cb 0.32 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 2k0f h THR 106 CO -0.29 0.75 -0.22 0.78 -0.25 0.00 0.00 175.52 176.29 2k0f h ASN 107 N 0.08 0.00 0.05 5.36 2.35 -1.53 -2.81 115.58 119.08 2k0f h ASN 107 Ca -0.03 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 2k0f h ASN 107 Cb 1.44 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.83 2k0f h ASN 107 CO 0.12 0.22 -0.70 -0.07 -1.65 0.00 0.00 177.43 175.36 2k0f h LEU 108 N 0.00 0.53 0.00 1.61 3.38 -0.77 -3.44 115.31 116.62 2k0f h LEU 108 Ca -0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2k0f h LEU 108 Cb 0.55 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k0f h LEU 108 CO 0.03 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.46 2k0f n GLY 109 N 1.26 1.25 3.72 0.83 0.00 0.74 -4.72 105.19 108.26 2k0f n GLY 109 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.02 3.94 -0.60 1.61 2.56 0.66 -4.96 118.70 121.89 2k0f s GLU 110 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.97 54.71 2k0f s GLU 110 Cb 0.00 -3.28 0.15 0.00 2.00 0.00 0.00 34.13 33.00 2k0f s GLU 110 CO 0.00 0.39 0.39 0.15 -0.56 0.00 0.00 175.26 175.63 2k0f s LYS 111 N 0.08 2.40 0.38 4.30 1.02 -1.26 -3.55 119.74 123.10 2k0f s LYS 111 Ca 0.08 -2.59 -0.05 0.00 0.02 0.00 0.00 55.97 53.43 2k0f s LYS 111 Cb -0.12 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.54 2k0f s LYS 111 CO -0.00 -1.16 0.66 -0.51 -0.92 0.00 0.00 175.35 173.42 2k0f s LEU 112 N -0.19 3.88 0.00 3.17 1.43 -1.26 -5.10 118.68 120.61 2k0f s LEU 112 Ca 0.17 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 2k0f s LEU 112 Cb -0.22 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.32 2k0f s LEU 112 CO -0.02 -0.36 0.00 0.35 0.23 0.00 0.00 176.35 176.54 2k0f n THR 113 N -1.55 0.00 0.09 5.49 -2.24 -1.26 -5.02 114.28 109.79 2k0f n THR 113 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 2k0f n THR 113 Cb 0.55 -1.76 -0.14 0.00 -2.10 0.00 0.00 70.33 66.87 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 0.00 0.41 -0.05 3.42 3.32 -2.00 -3.32 116.42 118.20 2k0f h ASP 114 Ca 0.00 -0.47 0.04 0.00 0.02 0.00 0.00 57.03 56.61 2k0f h ASP 114 Cb 0.00 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2k0f h ASP 114 CO 0.00 1.38 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.35 2k0f h GLU 115 N 0.07 -0.31 -0.29 3.56 3.07 -1.99 -2.02 114.58 116.67 2k0f h GLU 115 Ca -0.17 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 2k0f h GLU 115 Cb 1.99 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.96 2k0f h GLU 115 CO 0.19 -0.21 -0.02 0.93 -1.40 0.00 0.00 179.01 178.50 2k0f h GLU 116 N -0.32 0.52 -0.72 2.33 4.39 -1.96 -0.49 114.58 118.33 2k0f h GLU 116 Ca 0.08 -0.18 0.16 0.00 0.34 0.00 0.00 59.36 59.76 2k0f h GLU 116 Cb 0.43 -0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 28.92 2k0f h GLU 116 CO -0.24 0.69 0.04 0.28 -1.16 0.00 0.00 179.01 178.63 2k0f h VAL 117 N 0.30 0.41 0.42 3.13 2.07 -1.68 -2.17 116.25 118.73 2k0f h VAL 117 Ca 0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2k0f h VAL 117 Cb 0.47 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2k0f h VAL 117 CO 0.02 0.03 -0.20 -0.78 0.02 0.00 0.00 177.57 176.65 2k0f h ASP 118 N 0.14 -0.48 -0.73 0.57 3.58 -0.72 -2.77 116.42 116.01 2k0f h ASP 118 Ca 0.40 -0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.97 2k0f h ASP 118 Cb 0.69 0.12 -0.10 0.00 1.72 0.00 0.00 39.33 41.76 2k0f h ASP 118 CO -0.60 -0.30 0.26 -0.08 -2.88 0.00 0.00 179.24 175.63 2k0f h GLU 119 N -0.62 0.38 0.00 0.28 4.81 -0.91 -1.01 114.58 117.51 2k0f h GLU 119 Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 119 Cb 0.46 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 119 CO 0.09 0.25 -0.15 0.00 -0.73 0.00 0.00 179.01 178.48 2k0f h MET 120 N 0.39 0.00 0.13 1.92 -0.00 -1.39 0.84 114.93 116.82 2k0f h MET 120 Ca 0.40 0.00 -0.35 0.00 -0.00 0.00 0.00 59.70 59.75 2k0f h MET 120 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.20 2k0f h MET 120 CO -0.42 0.00 -1.91 0.82 -0.00 0.00 0.00 176.91 175.41 2k0f h ILE 121 N 0.00 0.69 -0.58 -0.10 2.04 -0.97 -3.04 117.51 115.54 2k0f h ILE 121 Ca 0.00 -2.35 0.09 0.00 1.00 0.00 0.00 64.86 63.59 2k0f h ILE 121 Cb 0.76 2.53 -0.11 0.00 -0.74 0.00 0.00 36.82 39.26 2k0f h ILE 121 CO 0.00 0.86 -0.44 0.03 0.00 0.00 0.00 178.15 178.60 2k0f h ARG 122 N -0.00 -0.22 -1.00 2.37 3.08 -1.15 0.30 114.38 117.76 2k0f h ARG 122 Ca -0.41 0.02 0.23 0.00 0.07 0.00 0.00 59.98 59.88 2k0f h ARG 122 Cb 1.99 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.99 2k0f h ARG 122 CO 0.08 -0.15 0.62 1.49 -1.07 0.00 0.00 179.97 180.95 2k0f h GLU 123 N -0.23 0.56 0.17 0.04 4.81 -0.95 -2.87 114.58 116.11 2k0f h GLU 123 Ca 0.18 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 123 Cb 0.56 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 123 CO -0.69 0.37 -1.20 0.00 -0.73 0.00 0.00 179.01 176.76 2k0f h ALA 124 N 1.65 -0.02 -2.24 2.92 0.00 -1.35 -3.47 119.26 116.75 2k0f h ALA 124 Ca 0.58 -0.87 -0.56 0.00 0.00 0.00 0.00 54.91 54.07 2k0f h ALA 124 Cb 1.18 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2k0f h ALA 124 CO -0.35 0.62 0.82 0.34 0.00 0.00 0.00 179.25 180.68 2k0f s ASP 125 N -7.16 6.96 -0.13 0.00 2.15 0.06 -4.81 116.67 113.75 2k0f s ASP 125 Ca -0.14 1.81 -0.02 0.00 0.43 0.00 0.00 52.55 54.62 2k0f s ASP 125 Cb 0.03 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 125 CO 0.84 -0.69 -0.14 -0.38 -0.17 0.00 0.00 175.17 174.63 2k0f n ILE 126 N 5.00 0.73 0.00 4.11 5.41 -1.26 -4.87 119.36 128.49 2k0f n ILE 126 Ca 0.13 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2k0f n ILE 126 Cb 0.45 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 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 -3.20 0.00 0.00 4.38 5.68 -1.26 -4.99 116.55 117.16 2k0f n ASP 127 Ca -0.24 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 2k0f n ASP 127 Cb 0.72 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 0.09 6.12 0.00 -1.26 -5.04 105.19 105.82 2k0f n GLY 128 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.69 -0.06 1.61 5.68 -1.26 -4.97 116.55 118.24 2k0f n ASP 129 Ca 0.00 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 2k0f n ASP 129 Cb 0.00 0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 1.39 0.68 3.04 6.12 0.00 -1.26 -5.08 105.19 110.08 2k0f n GLY 130 Ca -0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -3.63 0.19 -0.19 1.61 -0.21 -1.26 -4.89 119.66 111.28 2k0f s GLN 131 Ca 0.00 0.41 -0.29 0.00 0.02 0.00 0.00 55.36 55.50 2k0f s GLN 131 Cb 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.97 2k0f s GLN 131 CO 0.00 -0.11 1.00 0.08 -2.12 0.00 0.00 175.29 174.14 2k0f s VAL 132 N 0.81 4.74 0.78 1.09 1.01 -0.75 -4.61 120.40 123.46 2k0f s VAL 132 Ca -0.06 1.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 2k0f s VAL 132 Cb -0.07 -4.29 0.16 0.00 0.00 0.00 0.00 36.38 32.18 2k0f s VAL 132 CO -0.05 -0.10 1.07 0.59 0.00 0.00 0.00 175.10 176.61 2k0f n ASN 133 N 5.81 1.18 -0.28 3.32 4.13 -1.26 -1.09 115.26 127.06 2k0f n ASN 133 Ca 0.10 -2.05 -0.05 0.00 1.68 0.00 0.00 54.58 54.26 2k0f n ASN 133 Cb 0.47 -0.72 0.06 0.00 -1.54 0.00 0.00 39.78 38.06 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2k0f h TYR 134 N -0.80 1.05 0.00 3.10 3.20 -1.96 0.54 116.97 122.09 2k0f h TYR 134 Ca -0.35 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.36 2k0f h TYR 134 Cb 1.24 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2k0f h TYR 134 CO 0.00 0.73 -0.66 1.49 -1.64 0.00 0.00 178.16 178.08 2k0f h GLU 135 N 1.07 0.00 -0.48 1.82 4.81 -1.98 0.38 114.58 120.19 2k0f h GLU 135 Ca 0.27 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2k0f h GLU 135 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 135 CO -0.05 0.66 -0.12 0.93 -0.73 0.00 0.00 179.01 179.70 2k0f h GLU 136 N 0.00 0.90 0.11 1.92 5.08 -1.83 0.10 114.58 120.86 2k0f h GLU 136 Ca -0.01 -0.32 -0.28 0.00 -1.00 0.00 0.00 59.36 57.76 2k0f h GLU 136 Cb 1.40 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.60 2k0f h GLU 136 CO 0.09 0.96 -1.20 0.35 -1.00 0.00 0.00 179.01 178.21 2k0f h PHE 137 N 0.80 0.71 -0.45 4.33 3.57 -0.55 -2.40 116.94 122.95 2k0f h PHE 137 Ca 0.13 -0.47 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 137 Cb 0.64 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2k0f h PHE 137 CO 0.04 1.33 0.28 0.28 -2.23 0.00 0.00 178.31 178.01 2k0f h VAL 138 N 0.17 1.14 -0.78 1.41 2.07 -0.01 0.99 116.25 121.24 2k0f h VAL 138 Ca -0.15 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2k0f h VAL 138 Cb 1.88 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2k0f h VAL 138 CO 0.21 0.14 0.39 1.56 0.02 0.00 0.00 177.57 179.89 2k0f h GLN 139 N 0.60 1.11 -0.13 1.57 1.08 -0.82 -2.93 115.11 115.59 2k0f h GLN 139 Ca 0.16 -0.15 -0.19 0.00 -1.45 0.00 0.00 58.65 57.02 2k0f h GLN 139 Cb -0.02 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2k0f h GLN 139 CO -0.03 0.84 -0.68 1.98 -0.95 0.00 0.00 178.83 179.99 2k0f h MET 140 N 1.10 0.68 0.00 1.46 4.05 -0.81 -3.21 114.93 118.20 2k0f h MET 140 Ca 0.27 -0.57 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2k0f h MET 140 Cb 0.08 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2k0f h MET 140 CO -0.04 1.18 0.08 0.52 0.23 0.00 0.00 176.91 178.88 2k0f h MET 141 N 0.36 0.00 0.00 0.39 2.86 -0.75 -3.51 114.93 114.29 2k0f h MET 141 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 141 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2k0f h MET 141 CO 0.14 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.52