#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 0.02 -0.78 4.39 -2.05 -2.63 114.58 113.52 2k0f h GLU 2 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.02 -0.93 1.49 -1.16 0.00 0.00 179.01 178.42 2k0f h GLU 3 N 0.00 0.20 0.19 2.33 4.81 -2.04 0.34 114.58 120.41 2k0f h GLU 3 Ca -0.00 -0.24 -0.31 0.00 -0.13 0.00 0.00 59.36 58.68 2k0f h GLU 3 Cb 0.07 0.07 0.03 0.00 0.63 0.00 0.00 28.75 29.55 2k0f h GLU 3 CO 0.00 1.00 -1.36 1.96 -0.73 0.00 0.00 179.01 179.88 2k0f h GLN 4 N 0.10 0.48 -0.14 1.92 4.20 -1.91 -1.02 115.11 118.74 2k0f h GLN 4 Ca -0.05 -0.77 -0.00 0.00 0.06 0.00 0.00 58.65 57.89 2k0f h GLN 4 Cb 1.59 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 2k0f h GLN 4 CO 0.14 1.36 0.08 0.82 -0.67 0.00 0.00 178.83 180.56 2k0f h ILE 5 N 0.15 1.09 0.00 2.54 1.08 -1.38 -0.86 117.51 120.13 2k0f h ILE 5 Ca -0.21 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 2k0f h ILE 5 Cb 2.06 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2k0f h ILE 5 CO 0.25 0.09 -0.04 0.00 -0.69 0.00 0.00 178.15 177.75 2k0f h ALA 6 N 0.98 1.01 0.00 1.87 0.00 -0.15 0.17 119.26 123.13 2k0f h ALA 6 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 6 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k0f h ALA 6 CO -0.01 0.06 -0.62 0.93 0.00 0.00 0.00 179.25 179.61 2k0f h GLU 7 N 0.00 0.00 -0.11 0.00 5.08 -0.85 -1.13 114.58 117.58 2k0f h GLU 7 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 7 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 7 CO 0.01 0.62 -0.78 0.74 -1.00 0.00 0.00 179.01 178.59 2k0f h PHE 8 N 0.00 0.82 -0.04 4.33 0.04 -0.73 -2.28 116.94 119.09 2k0f h PHE 8 Ca -0.01 -0.37 -0.23 0.00 2.80 0.00 0.00 57.97 60.16 2k0f h PHE 8 Cb 1.46 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 39.50 2k0f h PHE 8 CO 0.00 1.17 -0.92 -0.22 -0.60 0.00 0.00 178.31 177.74 2k0f h LYS 9 N 0.40 0.57 -0.57 1.51 3.64 -0.58 -0.65 116.57 120.90 2k0f h LYS 9 Ca -0.05 -0.57 0.02 0.00 -1.27 0.00 0.00 60.65 58.78 2k0f h LYS 9 Cb 1.39 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 2k0f h LYS 9 CO 0.15 1.19 0.36 0.93 -2.27 0.00 0.00 179.45 179.81 2k0f h GLU 10 N 0.34 0.70 -0.93 1.90 4.39 -1.28 0.46 114.58 120.17 2k0f h GLU 10 Ca -0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2k0f h GLU 10 Cb 1.56 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.00 2k0f h GLU 10 CO 0.17 0.47 0.56 0.00 -1.16 0.00 0.00 179.01 179.05 2k0f h ALA 11 N 1.23 1.19 0.58 3.43 0.00 -1.28 -2.13 119.26 122.28 2k0f h ALA 11 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 11 Cb -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.39 2k0f h ALA 11 CO -0.07 0.65 -0.28 0.35 0.00 0.00 0.00 179.25 179.90 2k0f h PHE 12 N 1.29 -0.72 0.00 0.00 3.57 -0.91 -3.17 116.94 117.00 2k0f h PHE 12 Ca 0.33 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2k0f h PHE 12 Cb -0.05 0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2k0f h PHE 12 CO 0.00 -0.44 0.00 0.45 -2.23 0.00 0.00 178.31 176.10 2k0f n SER 13 N -5.42 0.00 0.37 0.41 2.88 0.13 -0.58 113.62 111.42 2k0f n SER 13 Ca -0.13 0.37 -0.15 0.00 -1.33 0.00 0.00 58.87 57.64 2k0f n SER 13 Cb 0.32 -0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 63.27 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k0f h LEU 14 N 0.00 -0.81 0.39 2.46 5.85 -1.35 -3.27 115.31 118.59 2k0f h LEU 14 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k0f h LEU 14 Cb 0.27 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2k0f h LEU 14 CO 0.00 -0.55 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.07 2k0f h PHE 15 N -1.01 -0.57 -2.78 1.25 0.04 -1.57 -3.45 116.94 108.85 2k0f h PHE 15 Ca -0.10 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 15 Cb 0.73 0.20 0.03 0.00 2.20 0.00 0.00 35.95 39.11 2k0f h PHE 15 CO 0.05 -0.34 0.92 0.34 -0.60 0.00 0.00 178.31 178.68 2k0f s ASP 16 N -4.69 6.60 -0.06 2.17 2.15 0.25 -4.73 116.67 118.36 2k0f s ASP 16 Ca -0.16 2.56 -0.09 0.00 0.43 0.00 0.00 52.55 55.29 2k0f s ASP 16 Cb 0.05 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 16 CO 0.64 -0.84 -0.18 0.29 -0.17 0.00 0.00 175.17 174.90 2k0f n LYS 17 N 4.57 0.28 -3.01 4.34 4.76 -1.26 -4.71 118.16 123.12 2k0f n LYS 17 Ca 0.14 0.11 -0.39 0.00 -2.87 0.00 0.00 58.31 55.31 2k0f n LYS 17 Cb 0.39 -0.95 -0.06 0.00 -1.84 0.00 0.00 35.03 32.57 2k0f n LYS 17 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2k0f s ASP 18 N -5.65 7.31 -0.83 4.39 1.47 -1.26 -4.96 116.67 117.13 2k0f s ASP 18 Ca -0.15 1.59 -0.02 0.00 1.18 0.00 0.00 52.55 55.15 2k0f s ASP 18 Cb 0.02 -2.48 0.34 0.00 -0.34 0.00 0.00 42.92 40.46 2k0f s ASP 18 CO 0.22 0.17 2.07 0.61 0.68 0.00 0.00 175.17 178.92 2k0f n GLY 19 N 1.39 5.46 0.17 2.12 0.00 -1.26 -4.59 105.19 108.48 2k0f n GLY 19 Ca -0.05 -2.45 -0.04 0.00 0.00 0.00 0.00 46.02 43.48 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 3.00 0.24 0.00 1.61 3.04 -2.02 -3.48 116.42 118.82 2k0f h ASP 20 Ca 0.56 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 54.22 2k0f h ASP 20 Cb 0.06 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 2k0f h ASP 20 CO 1.41 0.76 0.00 0.61 -2.04 0.00 0.00 179.24 179.98 2k0f n GLY 21 N 0.18 1.83 3.12 7.15 0.00 -1.26 -5.10 105.19 111.11 2k0f n GLY 21 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.59 0.18 -0.21 2.61 -4.23 -1.26 -4.60 115.64 106.54 2k0f s THR 22 Ca 0.00 -1.48 -0.14 0.00 -1.18 0.00 0.00 61.69 58.89 2k0f s THR 22 Cb 0.00 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 2k0f s THR 22 CO 0.00 -0.82 0.32 -0.63 -0.54 0.00 0.00 174.62 172.95 2k0f s ILE 23 N -3.53 5.25 0.63 2.99 1.01 -0.11 -4.87 121.20 122.57 2k0f s ILE 23 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.21 2k0f s ILE 23 Cb 0.05 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.94 2k0f s ILE 23 CO -0.09 0.28 0.88 0.42 0.00 0.00 0.00 174.94 176.43 2k0f s THR 24 N 1.22 2.41 0.23 2.92 -4.23 -1.26 -1.67 115.64 115.27 2k0f s THR 24 Ca 0.15 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.97 2k0f s THR 24 Cb -0.14 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.12 2k0f s THR 24 CO 0.07 0.00 1.86 0.71 -0.54 0.00 0.00 174.62 176.72 2k0f h THR 25 N -0.21 1.26 -0.64 3.99 1.35 -1.94 -3.19 112.91 113.53 2k0f h THR 25 Ca -0.39 -0.64 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 2k0f h THR 25 Cb 1.29 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 2k0f h THR 25 CO 0.47 0.29 0.17 0.11 -0.25 0.00 0.00 175.52 176.31 2k0f h LYS 26 N 1.27 1.03 0.00 4.72 1.57 -1.99 -0.73 116.57 122.44 2k0f h LYS 26 Ca 0.32 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2k0f h LYS 26 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2k0f h LYS 26 CO -0.05 0.92 -0.19 0.93 -0.57 0.00 0.00 179.45 180.48 2k0f h GLU 27 N 0.95 0.00 0.00 3.15 5.08 -1.85 -2.93 114.58 118.97 2k0f h GLU 27 Ca 0.20 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 27 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 27 CO 0.00 0.19 -1.47 1.28 -1.00 0.00 0.00 179.01 178.01 2k0f n LEU 28 N -3.59 1.88 -0.21 1.33 4.77 -0.99 -4.33 117.00 115.86 2k0f n LEU 28 Ca -0.01 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2k0f n LEU 28 Cb 0.33 -0.93 0.24 0.00 -2.33 0.00 0.00 43.42 40.73 2k0f n LEU 28 CO 0.32 0.27 1.22 1.23 -1.33 0.00 0.00 177.39 179.11 2k0f h GLY 29 N -1.00 1.05 2.00 -0.72 0.00 -1.17 -2.83 103.07 100.41 2k0f h GLY 29 Ca -0.39 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2k0f h GLY 29 CO -0.24 0.40 -0.04 0.00 0.00 0.00 0.00 176.54 176.66 2k0f h THR 30 N 1.01 0.29 0.01 4.70 1.03 -1.73 -0.19 112.91 118.04 2k0f h THR 30 Ca 0.27 -0.28 -0.05 0.00 -0.01 0.00 0.00 66.41 66.34 2k0f h THR 30 Cb -0.09 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.21 2k0f h THR 30 CO -0.06 0.04 -0.19 0.58 -0.01 0.00 0.00 175.52 175.89 2k0f h VAL 31 N 0.00 1.60 -0.64 0.00 2.07 -1.69 -3.12 116.25 114.47 2k0f h VAL 31 Ca -0.00 -2.03 0.13 0.00 0.82 0.00 0.00 66.70 65.62 2k0f h VAL 31 Cb 0.21 2.93 -0.11 0.00 -1.52 0.00 0.00 31.29 32.80 2k0f h VAL 31 CO 0.01 0.55 0.01 0.24 0.02 0.00 0.00 177.57 178.39 2k0f h MET 32 N -0.64 0.12 -0.88 1.57 2.86 -1.34 -1.20 114.93 115.43 2k0f h MET 32 Ca -0.03 -0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.80 2k0f h MET 32 Cb 1.00 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.52 2k0f h MET 32 CO 0.04 0.08 0.40 -0.09 1.06 0.00 0.00 176.91 178.40 2k0f h ARG 33 N 0.12 0.46 -0.08 1.72 2.43 -0.98 0.26 114.38 118.31 2k0f h ARG 33 Ca 0.34 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 59.24 2k0f h ARG 33 Cb 0.55 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 33 CO -0.54 0.30 -0.89 1.03 -1.51 0.00 0.00 179.97 178.36 2k0f h SER 34 N 0.47 0.92 0.55 -3.80 0.87 -1.24 -3.20 113.55 108.13 2k0f h SER 34 Ca 0.52 -0.68 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2k0f h SER 34 Cb 0.92 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2k0f h SER 34 CO -0.47 1.47 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.96 2k0f h LEU 35 N 0.45 -0.63 0.00 2.23 3.38 -1.04 -3.46 115.31 116.24 2k0f h LEU 35 Ca -0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k0f h LEU 35 Cb 1.53 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2k0f h LEU 35 CO 0.18 -0.33 0.00 0.61 0.09 0.00 0.00 178.44 178.99 2k0f n GLY 36 N -0.89 -1.04 3.75 0.83 0.00 0.89 -5.10 105.19 103.63 2k0f n GLY 36 Ca -0.12 0.60 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 0.57 4.47 -0.60 1.61 0.74 -1.25 -4.65 119.66 120.55 2k0f s GLN 37 Ca 0.00 1.96 -0.20 0.00 0.05 0.00 0.00 55.36 57.16 2k0f s GLN 37 Cb 0.00 -3.19 0.08 0.00 1.10 0.00 0.00 33.01 31.00 2k0f s GLN 37 CO 0.00 -0.09 0.79 1.21 -0.55 0.00 0.00 175.29 176.65 2k0f s ASN 38 N -0.09 6.19 0.84 6.67 2.47 -1.26 -3.12 114.94 126.63 2k0f s ASN 38 Ca 0.52 -1.15 -0.13 0.00 0.42 0.00 0.00 52.86 52.52 2k0f s ASN 38 Cb -0.35 -2.35 0.10 0.00 -1.45 0.00 0.00 41.25 37.21 2k0f s ASN 38 CO 0.40 -1.20 1.19 -2.16 -3.72 0.00 0.00 177.10 171.61 2k0f s PRO 39 N 3.21 1.71 0.74 0.43 0.04 -1.26 -5.01 135.00 134.87 2k0f s PRO 39 Ca 0.17 0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.19 2k0f s PRO 39 Cb -0.20 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.48 2k0f s PRO 39 CO 0.09 -1.76 1.08 0.95 0.04 0.00 0.00 177.00 177.40 2k0f s THR 40 N -3.58 2.22 0.23 1.26 -4.23 -1.26 -4.96 115.64 105.31 2k0f s THR 40 Ca 0.64 -0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 2k0f s THR 40 Cb -0.11 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 2k0f s THR 40 CO 0.50 -0.02 1.56 -0.33 -0.54 0.00 0.00 174.62 175.79 2k0f h GLU 41 N -0.78 0.34 -0.60 3.99 4.39 -1.98 -2.39 114.58 117.56 2k0f h GLU 41 Ca -0.45 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 58.96 2k0f h GLU 41 Cb 1.32 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 2k0f h GLU 41 CO 0.63 0.81 0.07 0.00 -1.16 0.00 0.00 179.01 179.36 2k0f h ALA 42 N 1.15 1.00 -0.44 3.43 0.00 -1.98 0.27 119.26 122.68 2k0f h ALA 42 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 42 Cb 1.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 42 CO 0.09 0.63 -0.01 0.93 0.00 0.00 0.00 179.25 180.89 2k0f h GLU 43 N 0.92 0.78 -0.34 0.00 5.08 -1.92 -2.22 114.58 116.88 2k0f h GLU 43 Ca 0.18 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 43 Cb 0.44 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 43 CO 0.01 0.85 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.63 2k0f h LEU 44 N 0.62 0.74 -0.66 1.33 3.38 -0.92 -3.05 115.31 116.75 2k0f h LEU 44 Ca 0.12 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2k0f h LEU 44 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2k0f h LEU 44 CO 0.02 0.99 0.43 -0.61 0.09 0.00 0.00 178.44 179.37 2k0f h GLN 45 N 0.49 0.85 0.16 1.13 4.15 -0.36 -3.14 115.11 118.39 2k0f h GLN 45 Ca 0.07 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2k0f h GLN 45 Cb 0.72 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 2k0f h GLN 45 CO 0.05 0.56 -0.26 0.22 -1.93 0.00 0.00 178.83 177.47 2k0f h ASP 46 N 0.87 -0.74 -0.09 -0.69 3.58 -1.37 0.89 116.42 118.87 2k0f h ASP 46 Ca 0.25 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.79 2k0f h ASP 46 Cb -0.08 0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2k0f h ASP 46 CO -0.06 -0.36 -0.05 0.80 -2.88 0.00 0.00 179.24 176.68 2k0f n MET 47 N -5.38 -0.04 0.13 0.28 1.56 -1.16 -2.24 117.12 110.27 2k0f n MET 47 Ca -0.07 0.73 -0.11 0.00 -0.27 0.00 0.00 57.70 57.98 2k0f n MET 47 Cb 0.29 -1.09 -0.06 0.00 2.15 0.00 0.00 33.22 34.52 2k0f n MET 47 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2k0f h ILE 48 N 0.00 0.00 -0.19 1.12 2.04 -1.42 -3.31 117.51 115.75 2k0f h ILE 48 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2k0f h ILE 48 Cb 0.04 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2k0f h ILE 48 CO -0.08 0.00 0.28 -1.13 0.00 0.00 0.00 178.15 177.22 2k0f h ASN 49 N -0.54 0.00 -0.61 1.72 -1.24 -0.80 0.03 115.58 114.14 2k0f h ASN 49 Ca -0.02 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.89 2k0f h ASN 49 Cb 0.50 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 2k0f h ASN 49 CO -0.10 0.00 -0.00 -0.08 -1.29 0.00 0.00 177.43 175.96 2k0f h GLU 50 N 0.00 1.08 0.00 6.67 4.81 -1.53 -3.25 114.58 122.35 2k0f h GLU 50 Ca 0.09 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 50 Cb 0.66 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 50 CO -0.00 1.05 -2.00 1.33 -0.73 0.00 0.00 179.01 178.66 2k0f n VAL 51 N -4.17 0.22 -1.74 0.32 0.24 -0.63 -4.98 118.33 107.58 2k0f n VAL 51 Ca 0.03 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 2k0f n VAL 51 Cb 0.35 -0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -4.53 6.48 -0.09 -1.34 2.15 -0.10 -4.88 116.67 114.36 2k0f s ASP 52 Ca -0.08 2.58 -0.23 0.00 0.43 0.00 0.00 52.55 55.25 2k0f s ASP 52 Cb 0.12 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 52 CO 0.84 -1.04 0.79 0.00 -0.17 0.00 0.00 175.17 175.59 2k0f h ALA 53 N 10.44 -0.06 0.00 3.66 0.00 -1.91 -3.43 119.26 127.96 2k0f h ALA 53 Ca -0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 53 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k0f h ALA 53 CO 0.94 -0.12 -0.22 0.38 0.00 0.00 0.00 179.25 180.24 2k0f h ASP 54 N -0.88 0.00 0.00 0.00 3.04 -1.96 -3.49 116.42 113.13 2k0f h ASP 54 Ca -0.01 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2k0f h ASP 54 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 2k0f h ASP 54 CO 0.01 0.76 0.00 0.61 -2.04 0.00 0.00 179.24 178.58 2k0f n GLY 55 N 1.68 -0.42 0.09 7.15 0.00 -1.26 -5.04 105.19 107.39 2k0f n GLY 55 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.30 0.00 1.61 7.08 -1.96 -3.48 115.58 119.13 2k0f h ASN 56 Ca 0.00 -0.32 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 2k0f h ASN 56 Cb 0.00 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 36.14 2k0f h ASN 56 CO 0.00 1.25 0.00 0.61 -2.08 0.00 0.00 177.43 177.21 2k0f n GLY 57 N 1.48 0.94 3.11 9.14 0.00 -1.26 -5.07 105.19 113.52 2k0f n GLY 57 Ca -0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 0.20 -0.27 2.61 -4.23 -1.26 -4.94 115.64 105.75 2k0f s THR 58 Ca 0.00 -1.64 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2k0f s THR 58 Cb 0.00 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 2k0f s THR 58 CO 0.00 -0.90 0.52 -0.63 -0.54 0.00 0.00 174.62 173.07 2k0f s ILE 59 N -3.76 5.06 0.56 2.99 1.01 -0.67 -4.80 121.20 121.58 2k0f s ILE 59 Ca 0.05 0.84 -0.08 0.00 0.00 0.00 0.00 60.65 61.46 2k0f s ILE 59 Cb 0.06 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2k0f s ILE 59 CO -0.10 0.05 0.91 -1.81 0.00 0.00 0.00 174.94 174.00 2k0f s ASP 60 N 1.57 6.21 0.44 3.58 1.11 -1.26 -0.94 116.67 127.38 2k0f s ASP 60 Ca 0.21 1.16 0.10 0.00 0.18 0.00 0.00 52.55 54.20 2k0f s ASP 60 Cb -0.16 -2.33 0.96 0.00 1.07 0.00 0.00 42.92 42.46 2k0f s ASP 60 CO 0.10 -0.75 2.06 0.15 1.18 0.00 0.00 175.17 177.91 2k0f h PHE 61 N -0.07 0.34 0.00 4.23 3.57 -1.97 0.11 116.94 123.15 2k0f h PHE 61 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 61 Cb 1.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2k0f h PHE 61 CO 0.62 0.25 0.00 -2.30 -2.23 0.00 0.00 178.31 174.64 2k0f n PRO 62 N -4.46 0.19 0.01 6.41 -0.02 -1.26 -1.51 135.00 134.37 2k0f n PRO 62 Ca 0.01 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 2k0f n PRO 62 Cb 0.10 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -2.19 0.64 0.06 -0.52 1.02 -0.06 -3.62 120.64 115.96 2k0f n GLU 63 Ca 0.03 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 2k0f n GLU 63 Cb 0.26 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.00 0.63 -0.99 -0.32 3.04 -1.24 -2.96 116.94 115.09 2k0f h PHE 64 Ca -0.14 -0.32 0.27 0.00 3.98 0.00 0.00 57.97 61.77 2k0f h PHE 64 Cb 1.38 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.76 2k0f h PHE 64 CO 0.00 1.12 0.69 -0.07 -2.02 0.00 0.00 178.31 178.04 2k0f h LEU 65 N 0.27 0.13 -0.56 0.59 3.38 -1.36 -2.73 115.31 115.03 2k0f h LEU 65 Ca -0.06 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2k0f h LEU 65 Cb 1.49 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2k0f h LEU 65 CO 0.15 0.04 -0.71 0.74 0.09 0.00 0.00 178.44 178.75 2k0f h THR 66 N 0.12 1.48 -0.04 0.22 2.02 -1.58 -1.78 112.91 113.35 2k0f h THR 66 Ca 0.49 -2.44 -0.13 0.00 0.77 0.00 0.00 66.41 65.10 2k0f h THR 66 Cb 1.74 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 70.46 2k0f h THR 66 CO -0.08 0.69 -0.58 0.24 0.37 0.00 0.00 175.52 176.16 2k0f h MET 67 N 0.00 0.15 0.05 6.66 2.86 -1.45 -2.26 114.93 120.93 2k0f h MET 67 Ca -0.01 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.31 2k0f h MET 67 Cb 1.27 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 2k0f h MET 67 CO 0.09 0.69 -1.03 0.52 1.06 0.00 0.00 176.91 178.24 2k0f h MET 68 N 0.11 0.20 0.00 1.72 2.86 -1.52 -3.38 114.93 114.92 2k0f h MET 68 Ca -0.00 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.26 2k0f h MET 68 Cb 1.06 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2k0f h MET 68 CO 0.08 1.07 -0.73 0.00 1.06 0.00 0.00 176.91 178.40 2k0f h ALA 69 N 0.82 0.70 -2.72 6.32 0.00 -1.03 -3.44 119.26 119.90 2k0f h ALA 69 Ca -0.07 -0.42 -0.50 0.00 0.00 0.00 0.00 54.91 53.92 2k0f h ALA 69 Cb 1.72 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.58 2k0f h ALA 69 CO 0.16 0.51 0.48 1.03 0.00 0.00 0.00 179.25 181.43 2k0f s ARG 70 N -3.05 4.34 0.25 0.00 0.52 -0.88 -5.07 118.95 115.06 2k0f s ARG 70 Ca 0.02 1.77 0.08 0.00 -0.52 0.00 0.00 55.73 57.08 2k0f s ARG 70 Cb 0.08 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 2k0f s ARG 70 CO 0.76 -0.05 -0.11 0.15 0.02 0.00 0.00 175.30 176.06 2k0f s LYS 71 N -1.97 1.49 0.74 3.54 -0.14 -1.26 -4.97 119.74 117.17 2k0f s LYS 71 Ca 0.52 -1.71 -0.05 0.00 -1.36 0.00 0.00 55.97 53.36 2k0f s LYS 71 Cb -0.30 -1.25 0.11 0.00 -1.68 0.00 0.00 37.83 34.71 2k0f s LYS 71 CO 0.38 0.14 1.03 -1.64 -0.76 0.00 0.00 175.35 174.50 2k0f s MET 72 N -3.66 1.78 -0.04 1.68 -1.94 -1.26 -5.06 119.30 110.80 2k0f s MET 72 Ca 0.27 -0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 53.50 2k0f s MET 72 Cb 0.01 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 2k0f s MET 72 CO 0.11 -1.45 0.46 -0.22 -0.01 0.00 0.00 175.02 173.91 2k0f h LYS 73 N -0.67 -0.34 0.00 2.03 3.64 -2.02 -3.46 116.57 115.75 2k0f h LYS 73 Ca -0.41 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2k0f h LYS 73 Cb 1.28 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2k0f h LYS 73 CO 0.48 -0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.19 2k0f n ASP 74 N -4.47 0.00 -1.58 4.20 8.00 -1.26 -4.93 116.55 116.51 2k0f n ASP 74 Ca -0.04 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.40 2k0f n ASP 74 Cb 0.14 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.49 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N 0.00 2.74 0.27 -3.53 -2.24 -1.26 -4.69 114.28 105.58 2k0f n THR 75 Ca 0.00 -2.04 0.15 0.00 -2.27 0.00 0.00 64.05 59.89 2k0f n THR 75 Cb 0.00 -0.34 0.46 0.00 -2.10 0.00 0.00 70.33 68.34 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N 1.78 0.00 -0.02 3.42 3.32 -1.91 -2.08 116.42 120.93 2k0f h ASP 76 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2k0f h ASP 76 Cb 2.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.60 2k0f h ASP 76 CO 0.60 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.92 2k0f n SER 77 N -3.03 0.32 -0.09 6.45 7.64 -1.26 -2.33 113.62 121.33 2k0f n SER 77 Ca 0.02 -1.25 -0.11 0.00 1.01 0.00 0.00 58.87 58.54 2k0f n SER 77 Cb 0.40 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.68 0.99 -0.33 1.43 2.13 -0.80 -4.51 120.64 118.86 2k0f n GLU 78 Ca 0.20 0.04 -0.04 0.00 0.66 0.00 0.00 57.16 58.02 2k0f n GLU 78 Cb 0.14 -1.44 0.09 0.00 0.27 0.00 0.00 31.44 30.50 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 0.00 1.22 -0.58 5.31 4.57 -1.42 -2.02 114.58 121.65 2k0f h GLU 79 Ca -0.47 -0.11 0.13 0.00 -1.18 0.00 0.00 59.36 57.73 2k0f h GLU 79 Cb 1.96 -0.25 -0.11 0.00 -0.16 0.00 0.00 28.75 30.19 2k0f h GLU 79 CO -0.01 0.86 -0.09 -1.91 -1.18 0.00 0.00 179.01 176.68 2k0f n GLU 80 N -4.39 -0.05 0.05 1.92 2.13 -0.98 0.09 120.64 119.41 2k0f n GLU 80 Ca 0.10 0.90 -0.22 0.00 0.66 0.00 0.00 57.16 58.59 2k0f n GLU 80 Cb 0.06 -1.37 -0.15 0.00 0.27 0.00 0.00 31.44 30.26 2k0f n GLU 80 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2k0f h ILE 81 N 0.00 0.86 0.00 6.31 2.04 -1.61 -2.11 117.51 123.00 2k0f h ILE 81 Ca 0.31 -2.45 -0.18 0.00 1.00 0.00 0.00 64.86 63.54 2k0f h ILE 81 Cb 0.54 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2k0f h ILE 81 CO -0.58 0.85 -0.84 0.08 0.00 0.00 0.00 178.15 177.66 2k0f h ARG 82 N 0.04 0.00 -0.47 2.37 0.11 -1.04 0.13 114.38 115.53 2k0f h ARG 82 Ca -0.36 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.64 2k0f h ARG 82 Cb 2.04 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.10 2k0f h ARG 82 CO 0.14 0.84 -0.03 0.93 0.10 0.00 0.00 179.97 181.95 2k0f h GLU 83 N 0.00 0.79 0.00 0.08 4.39 -0.47 -2.58 114.58 116.79 2k0f h GLU 83 Ca -0.01 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2k0f h GLU 83 Cb 1.61 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 2k0f h GLU 83 CO 0.11 0.82 0.00 0.00 -1.16 0.00 0.00 179.01 178.78 2k0f h ALA 84 N 1.23 1.00 -0.38 3.43 0.00 -0.79 -1.24 119.26 122.51 2k0f h ALA 84 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 84 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 84 CO 0.02 0.00 -0.31 0.35 0.00 0.00 0.00 179.25 179.31 2k0f h PHE 85 N 0.00 0.99 -0.08 0.00 3.57 -0.39 -2.03 116.94 119.01 2k0f h PHE 85 Ca 0.00 -0.27 -0.11 0.00 3.53 0.00 0.00 57.97 61.13 2k0f h PHE 85 Cb 0.65 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2k0f h PHE 85 CO 0.00 1.05 -0.44 -0.09 -2.23 0.00 0.00 178.31 176.60 2k0f h ARG 86 N 0.71 0.18 -0.29 1.11 2.43 -0.91 0.16 114.38 117.76 2k0f h ARG 86 Ca 0.08 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 86 Cb 0.87 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2k0f h ARG 86 CO 0.08 0.59 0.15 0.28 -1.51 0.00 0.00 179.97 179.55 2k0f h VAL 87 N 0.15 1.14 -0.15 0.20 2.07 -1.34 -3.36 116.25 114.95 2k0f h VAL 87 Ca 0.01 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2k0f h VAL 87 Cb 0.84 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2k0f h VAL 87 CO 0.07 0.15 -0.01 0.15 0.02 0.00 0.00 177.57 177.94 2k0f h PHE 88 N 0.34 -0.04 -2.91 1.57 3.04 -0.00 -3.39 116.94 115.55 2k0f h PHE 88 Ca 0.10 0.01 -0.56 0.00 3.98 0.00 0.00 57.97 61.51 2k0f h PHE 88 Cb 0.10 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.60 2k0f h PHE 88 CO -0.02 -0.04 1.15 0.34 -2.02 0.00 0.00 178.31 177.72 2k0f s ASP 89 N -5.22 6.09 -0.08 0.41 2.15 -0.17 -4.89 116.67 114.96 2k0f s ASP 89 Ca -0.13 0.72 -0.25 0.00 0.43 0.00 0.00 52.55 53.32 2k0f s ASP 89 Cb 0.09 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 39.97 2k0f s ASP 89 CO 0.68 -1.66 0.93 0.11 -0.17 0.00 0.00 175.17 175.06 2k0f h LYS 90 N 11.64 -0.06 0.09 4.34 1.79 -1.85 -3.35 116.57 129.17 2k0f h LYS 90 Ca -0.28 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2k0f h LYS 90 Cb 1.12 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2k0f h LYS 90 CO 1.11 0.58 -0.04 0.38 -1.08 0.00 0.00 179.45 180.39 2k0f h ASP 91 N -0.79 -0.10 -0.00 0.86 2.03 -1.93 -3.49 116.42 112.99 2k0f h ASP 91 Ca -0.01 -0.35 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2k0f h ASP 91 Cb 0.66 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2k0f h ASP 91 CO 0.01 0.31 0.00 0.61 -1.03 0.00 0.00 179.24 179.14 2k0f n GLY 92 N -0.02 1.15 0.20 7.15 0.00 -1.26 -5.03 105.19 107.38 2k0f n GLY 92 Ca -0.09 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.71 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 1.13 1.11 2.99 9.14 0.00 -1.26 -5.11 105.19 113.19 2k0f n GLY 94 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.46 -0.34 1.61 2.02 -1.26 -4.56 117.35 113.28 2k0f s TYR 95 Ca 0.00 -0.30 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 2k0f s TYR 95 Cb 0.00 -0.29 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 2k0f s TYR 95 CO 0.00 -0.06 0.51 0.42 -1.57 0.00 0.00 175.55 174.84 2k0f s ILE 96 N -0.79 5.03 0.33 2.71 1.01 0.47 -4.77 121.20 125.18 2k0f s ILE 96 Ca -0.06 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.06 2k0f s ILE 96 Cb -0.06 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2k0f s ILE 96 CO -0.00 -0.16 0.47 -0.94 0.00 0.00 0.00 174.94 174.31 2k0f s SER 97 N 1.73 6.08 0.36 3.58 1.04 -1.26 -0.68 113.70 124.54 2k0f s SER 97 Ca 0.19 0.00 0.14 0.00 0.48 0.00 0.00 55.95 56.77 2k0f s SER 97 Cb -0.15 -1.52 0.67 0.00 0.10 0.00 0.00 66.02 65.12 2k0f s SER 97 CO 0.13 -0.36 1.77 0.00 0.98 0.00 0.00 173.24 175.76 2k0f h ALA 98 N 0.89 1.18 -0.54 5.32 0.00 -1.99 0.11 119.26 124.23 2k0f h ALA 98 Ca -0.48 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 98 Cb 1.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.56 0.53 0.01 0.00 0.00 0.00 0.00 179.25 180.35 2k0f h ALA 99 N 1.58 1.00 0.31 0.00 0.00 -1.95 -1.20 119.26 118.99 2k0f h ALA 99 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2k0f h ALA 99 Cb 0.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 99 CO 0.05 0.62 -0.15 0.93 0.00 0.00 0.00 179.25 180.70 2k0f h GLU 100 N 0.85 -0.40 -0.79 0.00 5.08 -1.76 -3.18 114.58 114.38 2k0f h GLU 100 Ca 0.16 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 100 Cb 0.48 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 100 CO 0.02 -0.18 0.29 1.25 -1.00 0.00 0.00 179.01 179.39 2k0f h LEU 101 N -0.55 0.22 -0.55 1.33 5.85 -0.59 0.41 115.31 121.42 2k0f h LEU 101 Ca -0.04 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2k0f h LEU 101 Cb 0.40 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2k0f h LEU 101 CO 0.07 0.04 0.24 0.03 -0.34 0.00 0.00 178.44 178.48 2k0f h ARG 102 N 0.39 0.44 -0.04 1.25 3.08 -1.32 0.05 114.38 118.23 2k0f h ARG 102 Ca 0.45 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 2k0f h ARG 102 Cb 0.75 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2k0f h ARG 102 CO -0.47 0.29 -0.12 0.45 -1.07 0.00 0.00 179.97 179.06 2k0f h HIS 103 N 0.46 0.20 -0.72 3.04 3.86 -1.09 -2.64 115.15 118.26 2k0f h HIS 103 Ca 0.26 -0.08 0.16 0.00 -1.16 0.00 0.00 60.37 59.55 2k0f h HIS 103 Cb 0.25 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 28.55 2k0f h HIS 103 CO -0.13 0.74 -0.04 0.28 0.86 0.00 0.00 177.93 179.64 2k0f h VAL 104 N -0.40 0.35 -0.17 2.45 2.07 -0.27 0.17 116.25 120.45 2k0f h VAL 104 Ca -0.00 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 2k0f h VAL 104 Cb 0.74 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2k0f h VAL 104 CO 0.03 0.01 -0.48 0.24 0.02 0.00 0.00 177.57 177.39 2k0f h MET 105 N 0.08 0.43 -0.67 1.57 2.07 -1.03 -0.74 114.93 116.64 2k0f h MET 105 Ca 0.38 -0.24 -0.01 0.00 -2.07 0.00 0.00 59.70 57.76 2k0f h MET 105 Cb 0.65 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.37 2k0f h MET 105 CO -0.66 0.82 0.37 1.15 1.07 0.00 0.00 176.91 179.66 2k0f h THR 106 N 0.35 1.21 -0.55 2.22 2.02 -0.95 0.16 112.91 117.35 2k0f h THR 106 Ca 0.02 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 2k0f h THR 106 Cb 0.97 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2k0f h THR 106 CO 0.08 0.23 -0.07 0.78 0.37 0.00 0.00 175.52 176.92 2k0f h ASN 107 N 0.92 1.00 -0.41 4.18 -0.26 -0.47 -2.98 115.58 117.56 2k0f h ASN 107 Ca 0.24 -0.31 0.01 0.00 -0.56 0.00 0.00 56.30 55.68 2k0f h ASN 107 Cb 0.04 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 2k0f h ASN 107 CO -0.04 1.09 0.26 -0.07 -1.06 0.00 0.00 177.43 177.61 2k0f h LEU 108 N 0.91 0.44 0.00 1.61 3.38 -0.93 -3.42 115.31 117.31 2k0f h LEU 108 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k0f h LEU 108 Cb 0.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2k0f h LEU 108 CO 0.04 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2k0f n GLY 109 N -1.21 0.96 3.95 0.83 0.00 -0.08 -4.87 105.19 104.77 2k0f n GLY 109 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 0.08 3.44 -0.15 1.61 0.41 -0.46 -5.01 118.70 118.61 2k0f s GLU 110 Ca 0.00 -0.60 -0.02 0.00 -0.41 0.00 0.00 54.97 53.94 2k0f s GLU 110 Cb 0.00 -2.96 0.05 0.00 -1.78 0.00 0.00 34.13 29.44 2k0f s GLU 110 CO 0.00 0.52 0.02 0.21 -0.49 0.00 0.00 175.26 175.51 2k0f s LYS 111 N -3.27 0.73 0.01 1.61 2.47 -1.26 -4.00 119.74 116.02 2k0f s LYS 111 Ca 0.35 -0.27 0.06 0.00 -1.56 0.00 0.00 55.97 54.54 2k0f s LYS 111 Cb -0.11 -1.76 -0.03 0.00 -1.46 0.00 0.00 37.83 34.47 2k0f s LYS 111 CO 0.29 -0.52 -0.16 -0.51 0.16 0.00 0.00 175.35 174.61 2k0f s LEU 112 N 1.87 2.69 0.15 5.43 1.43 -1.26 -5.10 118.68 123.88 2k0f s LEU 112 Ca 0.01 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2k0f s LEU 112 Cb -0.15 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2k0f s LEU 112 CO -0.07 0.29 0.35 0.42 0.23 0.00 0.00 176.35 177.56 2k0f s THR 113 N -0.86 5.23 -0.51 5.49 -4.23 -1.26 -4.96 115.64 114.54 2k0f s THR 113 Ca 0.14 -0.23 0.18 0.00 -1.18 0.00 0.00 61.69 60.59 2k0f s THR 113 Cb -0.11 -3.67 0.18 0.00 1.34 0.00 0.00 72.50 70.24 2k0f s THR 113 CO 0.04 -0.03 1.54 0.47 -0.54 0.00 0.00 174.62 176.10 2k0f n ASP 114 N -0.19 0.43 0.07 3.99 8.00 -1.26 -1.21 116.55 126.39 2k0f n ASP 114 Ca -0.04 0.66 -0.11 0.00 0.71 0.00 0.00 54.79 56.01 2k0f n ASP 114 Cb 0.52 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 2k0f n ASP 114 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2k0f h GLU 115 N 0.00 0.36 -0.25 -1.24 4.11 -2.00 -1.02 114.58 114.54 2k0f h GLU 115 Ca 0.00 -0.36 -0.05 0.00 0.07 0.00 0.00 59.36 59.01 2k0f h GLU 115 Cb 0.13 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 115 CO 0.00 1.04 -0.05 0.93 0.07 0.00 0.00 179.01 181.00 2k0f h GLU 116 N 0.21 0.48 -0.58 1.06 5.08 -1.55 -3.21 114.58 116.07 2k0f h GLU 116 Ca -0.06 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 116 Cb 1.50 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 116 CO 0.15 0.69 -0.33 0.28 -1.00 0.00 0.00 179.01 178.80 2k0f h VAL 117 N 0.23 0.18 -0.23 3.13 2.07 -1.45 -1.78 116.25 118.39 2k0f h VAL 117 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2k0f h VAL 117 Cb 0.51 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 2k0f h VAL 117 CO 0.02 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.67 2k0f h ASP 118 N -0.16 -0.53 -1.01 0.57 3.58 -1.18 -1.32 116.42 116.36 2k0f h ASP 118 Ca 0.23 0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.88 2k0f h ASP 118 Cb 0.55 0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.79 2k0f h ASP 118 CO -0.67 -0.20 0.64 -0.08 -2.88 0.00 0.00 179.24 176.05 2k0f h GLU 119 N -0.16 1.06 0.49 0.28 4.81 -1.58 -0.24 114.58 119.25 2k0f h GLU 119 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 119 Cb 0.35 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k0f h GLU 119 CO -0.33 0.70 -0.24 0.52 -0.73 0.00 0.00 179.01 178.93 2k0f h MET 120 N 1.09 -0.64 -0.65 1.92 2.86 -1.11 -3.20 114.93 115.19 2k0f h MET 120 Ca 0.47 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.26 2k0f h MET 120 Cb 0.33 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 2k0f h MET 120 CO -0.22 -0.43 0.25 0.97 1.06 0.00 0.00 176.91 178.54 2k0f h ILE 121 N -1.05 0.74 0.00 -1.22 6.09 -1.21 -2.12 117.51 118.74 2k0f h ILE 121 Ca -0.07 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.26 2k0f h ILE 121 Cb 0.51 0.28 -0.00 0.00 0.47 0.00 0.00 36.82 38.08 2k0f h ILE 121 CO 0.11 0.08 -0.08 0.08 -3.07 0.00 0.00 178.15 175.27 2k0f h ARG 122 N 0.42 0.00 0.05 2.19 0.11 -1.21 -0.86 114.38 115.08 2k0f h ARG 122 Ca 0.34 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.18 2k0f h ARG 122 Cb 0.44 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 2k0f h ARG 122 CO -0.33 0.08 -1.10 1.49 0.10 0.00 0.00 179.97 180.21 2k0f h GLU 123 N 0.00 0.10 0.11 0.08 4.81 -1.38 -3.35 114.58 114.95 2k0f h GLU 123 Ca -0.00 -0.17 -0.32 0.00 -0.13 0.00 0.00 59.36 58.73 2k0f h GLU 123 Cb 0.86 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2k0f h GLU 123 CO 0.01 1.08 -1.71 0.00 -0.73 0.00 0.00 179.01 177.66 2k0f h ALA 124 N 0.84 0.38 -2.39 2.92 0.00 -1.44 -3.43 119.26 116.16 2k0f h ALA 124 Ca -0.06 -1.24 -0.54 0.00 0.00 0.00 0.00 54.91 53.06 2k0f h ALA 124 Cb 1.85 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 20.08 2k0f h ALA 124 CO 0.16 1.24 0.78 0.34 0.00 0.00 0.00 179.25 181.77 2k0f s ASP 125 N -6.89 6.90 -0.25 0.00 2.15 -0.33 -4.80 116.67 113.45 2k0f s ASP 125 Ca -0.13 2.07 -0.07 0.00 0.43 0.00 0.00 52.55 54.85 2k0f s ASP 125 Cb 0.07 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 125 CO 0.83 -0.67 -0.28 -0.38 -0.17 0.00 0.00 175.17 174.50 2k0f n ILE 126 N 4.53 1.38 0.11 4.11 5.41 -1.26 -4.63 119.36 129.01 2k0f n ILE 126 Ca 0.12 -0.42 -0.02 0.00 1.00 0.00 0.00 62.75 63.44 2k0f n ILE 126 Cb 0.44 -1.65 0.22 0.00 -0.71 0.00 0.00 39.64 37.94 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.56 0.17 0.00 4.38 3.04 -1.92 -3.48 116.42 118.05 2k0f h ASP 127 Ca -0.60 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.11 2k0f h ASP 127 Cb 1.66 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.90 2k0f h ASP 127 CO -0.27 0.62 0.00 0.61 -2.04 0.00 0.00 179.24 178.16 2k0f n GLY 128 N -0.08 1.24 0.08 7.15 0.00 -1.26 -4.98 105.19 107.34 2k0f n GLY 128 Ca -0.02 0.00 -0.11 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 0.20 0.00 1.61 2.03 -1.95 -3.48 116.42 114.84 2k0f h ASP 129 Ca 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 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 1.16 0.00 0.61 -1.03 0.00 0.00 179.24 179.98 2k0f n GLY 130 N 1.41 0.75 3.46 7.15 0.00 -1.26 -5.09 105.19 111.61 2k0f n GLY 130 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.50 1.64 -0.19 1.61 1.11 -1.26 -4.33 119.66 117.74 2k0f s GLN 131 Ca 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 55.36 53.76 2k0f s GLN 131 Cb 0.00 -1.85 -0.00 0.00 -1.01 0.00 0.00 33.01 30.15 2k0f s GLN 131 CO 0.00 0.37 -0.10 0.08 0.01 0.00 0.00 175.29 175.65 2k0f s VAL 132 N -2.01 2.99 0.12 1.09 1.01 0.14 -4.58 120.40 119.16 2k0f s VAL 132 Ca 0.25 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2k0f s VAL 132 Cb -0.07 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2k0f s VAL 132 CO 0.12 0.48 0.14 -0.46 0.00 0.00 0.00 175.10 175.38 2k0f n ASN 133 N 4.39 0.80 -0.13 3.32 0.23 -1.26 -0.39 115.26 122.21 2k0f n ASN 133 Ca -0.19 -1.35 -0.01 0.00 -0.53 0.00 0.00 54.58 52.50 2k0f n ASN 133 Cb 0.51 -0.06 0.24 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.22 0.83 -0.62 -2.53 3.20 -1.99 -2.09 116.97 113.98 2k0f h TYR 134 Ca -0.06 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2k0f h TYR 134 Cb 0.26 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2k0f h TYR 134 CO 0.00 0.63 0.33 1.49 -1.64 0.00 0.00 178.16 178.97 2k0f h GLU 135 N 0.82 0.87 0.00 1.82 4.81 -1.99 -0.53 114.58 120.38 2k0f h GLU 135 Ca 0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 135 Cb 0.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 135 CO -0.02 0.65 0.00 0.93 -0.73 0.00 0.00 179.01 179.84 2k0f h GLU 136 N 0.87 0.00 0.00 1.92 5.08 -1.83 -3.25 114.58 117.38 2k0f h GLU 136 Ca 0.22 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 136 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 136 CO -0.03 0.00 -0.57 0.35 -1.00 0.00 0.00 179.01 177.76 2k0f h PHE 137 N 0.00 0.00 0.00 4.33 3.57 -0.64 -3.37 116.94 120.83 2k0f h PHE 137 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 137 Cb 0.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2k0f h PHE 137 CO 0.00 0.95 0.00 1.55 -2.23 0.00 0.00 178.31 178.58 2k0f n VAL 138 N -4.56 0.87 0.16 1.41 3.14 -0.29 -1.60 118.33 117.46 2k0f n VAL 138 Ca -0.17 0.33 0.04 0.00 -2.96 0.00 0.00 64.34 61.58 2k0f n VAL 138 Cb 0.48 -1.28 0.13 0.00 -1.06 0.00 0.00 33.84 32.10 2k0f n VAL 138 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2k0f h GLN 139 N 0.00 0.00 0.00 1.45 5.75 -1.73 -3.39 115.11 117.19 2k0f h GLN 139 Ca 0.00 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 2k0f h GLN 139 Cb 0.29 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 2k0f h GLN 139 CO 0.00 0.45 -2.09 -1.33 -2.65 0.00 0.00 178.83 173.22 2k0f n MET 140 N -3.30 0.57 -3.01 1.69 2.81 -0.71 -4.91 117.12 110.26 2k0f n MET 140 Ca 0.01 0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.75 2k0f n MET 140 Cb 0.66 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.62 2k0f n MET 140 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2k0f s MET 141 N -2.59 3.64 0.00 0.03 -1.94 -0.62 -5.14 119.30 112.68 2k0f s MET 141 Ca -0.36 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 2k0f s MET 141 Cb 0.12 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 33.12 2k0f s MET 141 CO 0.48 -0.88 0.48 0.25 -0.01 0.00 0.00 175.02 175.34