#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 0.80 -0.65 -0.78 9.09 -2.06 -2.68 114.58 118.30 2k0f h GLU 2 Ca 0.00 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 59.34 2k0f h GLU 2 Cb 0.00 -0.18 -0.03 0.00 -1.65 0.00 0.00 28.75 26.89 2k0f h GLU 2 CO 0.00 0.53 0.30 0.93 0.05 0.00 0.00 179.01 180.82 2k0f h GLU 3 N 0.82 0.93 -0.40 1.06 5.08 -2.05 -1.28 114.58 118.73 2k0f h GLU 3 Ca 0.51 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2k0f h GLU 3 Cb 0.67 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 3 CO -0.33 0.72 0.13 1.96 -1.00 0.00 0.00 179.01 180.49 2k0f h GLN 4 N 0.92 0.62 0.02 2.33 4.20 -1.95 -2.15 115.11 119.10 2k0f h GLN 4 Ca 0.23 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2k0f h GLN 4 Cb 0.11 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2k0f h GLN 4 CO -0.03 0.62 -0.10 0.82 -0.67 0.00 0.00 178.83 179.47 2k0f h ILE 5 N 0.50 0.76 -0.46 2.54 2.04 -1.15 -0.43 117.51 121.31 2k0f h ILE 5 Ca 0.13 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2k0f h ILE 5 Cb 0.26 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2k0f h ILE 5 CO -0.00 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.17 2k0f h ALA 6 N 0.79 1.17 0.19 1.87 0.00 -1.22 -1.99 119.26 120.06 2k0f h ALA 6 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 6 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 6 CO -0.09 0.54 -0.09 1.49 0.00 0.00 0.00 179.25 181.11 2k0f h GLU 7 N 0.70 -0.24 0.00 0.00 4.81 -1.19 -3.25 114.58 115.41 2k0f h GLU 7 Ca 0.14 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 7 Cb 0.40 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 7 CO 0.01 -0.08 -0.06 0.35 -0.73 0.00 0.00 179.01 178.50 2k0f h PHE 8 N -0.35 0.00 -0.99 0.92 3.57 -0.88 -1.06 116.94 118.16 2k0f h PHE 8 Ca -0.03 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.71 2k0f h PHE 8 Cb 0.27 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 38.83 2k0f h PHE 8 CO -0.04 0.06 -0.10 1.17 -2.23 0.00 0.00 178.31 177.18 2k0f n LYS 9 N -3.20 -0.08 0.03 1.11 4.81 -0.77 -1.23 118.16 118.82 2k0f n LYS 9 Ca 0.00 1.51 -0.15 0.00 -0.87 0.00 0.00 58.31 58.80 2k0f n LYS 9 Cb 0.31 -2.33 -0.04 0.00 0.02 0.00 0.00 35.03 32.99 2k0f n LYS 9 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2k0f h GLU 10 N 0.00 0.59 0.00 1.64 4.81 -1.31 -2.23 114.58 118.08 2k0f h GLU 10 Ca 0.54 -0.54 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 10 Cb 1.01 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2k0f h GLU 10 CO -0.97 1.16 -0.32 0.00 -0.73 0.00 0.00 179.01 178.15 2k0f h ALA 11 N 0.67 1.35 -0.14 2.92 0.00 -1.33 -1.63 119.26 121.10 2k0f h ALA 11 Ca -0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 11 Cb 1.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2k0f h ALA 11 CO 0.16 0.41 -0.48 0.35 0.00 0.00 0.00 179.25 179.68 2k0f h PHE 12 N 0.00 0.43 0.00 0.00 3.57 -1.12 -2.09 116.94 117.73 2k0f h PHE 12 Ca -0.00 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 12 Cb 0.62 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2k0f h PHE 12 CO 0.00 0.77 -0.13 0.77 -2.23 0.00 0.00 178.31 177.49 2k0f h SER 13 N 0.28 0.00 0.83 0.41 0.02 -0.71 0.25 113.55 114.64 2k0f h SER 13 Ca 0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2k0f h SER 13 Cb 0.96 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2k0f h SER 13 CO 0.08 0.13 -0.57 -0.07 -1.14 0.00 0.00 176.83 175.26 2k0f h LEU 14 N 0.00 0.00 0.11 5.07 3.38 -0.61 -3.33 115.31 119.93 2k0f h LEU 14 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2k0f h LEU 14 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k0f h LEU 14 CO 0.02 0.57 -1.19 -0.26 0.09 0.00 0.00 178.44 177.67 2k0f h PHE 15 N 0.00 0.41 -3.02 1.13 0.04 -1.16 -3.45 116.94 110.89 2k0f h PHE 15 Ca -0.01 -0.30 -0.57 0.00 2.80 0.00 0.00 57.97 59.90 2k0f h PHE 15 Cb 1.14 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.23 2k0f h PHE 15 CO 0.00 1.46 0.81 0.34 -0.60 0.00 0.00 178.31 180.32 2k0f s ASP 16 N -6.96 7.03 -0.04 2.17 -1.08 0.77 -4.50 116.67 114.07 2k0f s ASP 16 Ca -0.19 1.62 0.13 0.00 -0.52 0.00 0.00 52.55 53.59 2k0f s ASP 16 Cb 0.03 -2.54 -0.22 0.00 -1.46 0.00 0.00 42.92 38.73 2k0f s ASP 16 CO 0.77 -0.67 0.68 1.17 0.52 0.00 0.00 175.17 177.63 2k0f n LYS 17 N 6.10 0.63 0.05 4.34 3.00 -1.26 -4.36 118.16 126.66 2k0f n LYS 17 Ca 0.12 0.29 -0.02 0.00 -0.00 0.00 0.00 58.31 58.70 2k0f n LYS 17 Cb 0.46 -1.80 -0.01 0.00 0.00 0.00 0.00 35.03 33.68 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2k0f h ASP 18 N 0.00 -0.12 -0.05 3.14 3.32 -1.91 -3.48 116.42 117.32 2k0f h ASP 18 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2k0f h ASP 18 Cb 1.98 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.56 2k0f h ASP 18 CO 0.08 -0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 2k0f n GLY 19 N -0.05 0.85 0.14 2.75 0.00 -1.26 -5.04 105.19 102.57 2k0f n GLY 19 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.03 1.95 0.00 1.61 5.75 -1.26 -5.01 116.55 119.62 2k0f n ASP 20 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 2k0f n ASP 20 Cb 0.02 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.30 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.34 -0.33 3.09 6.12 0.00 -1.26 -5.15 105.19 109.01 2k0f n GLY 21 Ca -0.52 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -0.14 0.77 -0.08 2.61 -4.23 -1.26 -4.19 115.64 109.13 2k0f s THR 22 Ca 0.00 -1.03 -0.10 0.00 -1.18 0.00 0.00 61.69 59.39 2k0f s THR 22 Cb 0.00 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 2k0f s THR 22 CO 0.00 -0.22 0.24 -0.63 -0.54 0.00 0.00 174.62 173.47 2k0f s ILE 23 N -1.12 5.33 0.46 2.99 1.01 -1.05 -4.64 121.20 124.18 2k0f s ILE 23 Ca -0.05 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.12 2k0f s ILE 23 Cb -0.09 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2k0f s ILE 23 CO 0.01 0.60 0.33 0.42 0.00 0.00 0.00 174.94 176.30 2k0f s THR 24 N -1.02 2.24 0.41 2.92 -4.23 -1.26 -2.27 115.64 112.44 2k0f s THR 24 Ca 0.18 -1.49 0.39 0.00 -1.18 0.00 0.00 61.69 59.59 2k0f s THR 24 Cb -0.14 -2.73 0.40 0.00 1.34 0.00 0.00 72.50 71.37 2k0f s THR 24 CO 0.07 0.00 2.19 0.71 -0.54 0.00 0.00 174.62 177.06 2k0f h THR 25 N 1.05 0.00 0.10 3.99 1.35 -1.95 -2.34 112.91 115.11 2k0f h THR 25 Ca -0.40 -0.10 -0.31 0.00 -0.55 0.00 0.00 66.41 65.04 2k0f h THR 25 Cb 1.27 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 2k0f h THR 25 CO 0.61 0.00 -1.65 0.11 -0.25 0.00 0.00 175.52 174.33 2k0f h LYS 26 N 0.00 0.22 0.28 4.72 1.79 -1.97 -2.51 116.57 119.11 2k0f h LYS 26 Ca 0.00 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.08 2k0f h LYS 26 Cb 0.11 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2k0f h LYS 26 CO 0.00 1.18 -0.14 0.93 -1.08 0.00 0.00 179.45 180.35 2k0f h GLU 27 N -0.25 -0.37 0.00 3.15 5.08 -1.90 -1.31 114.58 118.98 2k0f h GLU 27 Ca -0.37 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 57.88 2k0f h GLU 27 Cb 1.82 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 2k0f h GLU 27 CO 0.03 -0.17 -0.68 1.25 -1.00 0.00 0.00 179.01 178.44 2k0f h LEU 28 N -0.49 0.00 -0.37 1.33 5.85 -1.60 -0.13 115.31 119.90 2k0f h LEU 28 Ca -0.04 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2k0f h LEU 28 Cb 0.36 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 2k0f h LEU 28 CO 0.06 0.68 -0.48 1.23 -0.34 0.00 0.00 178.44 179.59 2k0f h GLY 29 N 2.83 -0.75 1.52 3.75 0.00 -1.46 -2.49 103.07 106.47 2k0f h GLY 29 Ca -0.01 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 2k0f h GLY 29 CO 0.09 -0.17 0.19 -0.84 0.00 0.00 0.00 176.54 175.81 2k0f h THR 30 N -0.38 1.16 0.10 4.70 2.02 0.09 0.22 112.91 120.82 2k0f h THR 30 Ca 0.11 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2k0f h THR 30 Cb 0.60 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2k0f h THR 30 CO -0.56 0.20 -0.05 0.58 0.37 0.00 0.00 175.52 176.06 2k0f h VAL 31 N 0.62 1.01 -0.59 3.16 2.07 -1.04 -0.61 116.25 120.88 2k0f h VAL 31 Ca 0.15 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 2k0f h VAL 31 Cb 0.11 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2k0f h VAL 31 CO -0.02 0.09 0.11 0.24 0.02 0.00 0.00 177.57 178.02 2k0f h MET 32 N -0.30 0.93 0.00 1.57 2.86 -1.28 -1.20 114.93 117.50 2k0f h MET 32 Ca -0.01 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2k0f h MET 32 Cb 0.25 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2k0f h MET 32 CO 0.02 0.85 -0.14 0.00 1.06 0.00 0.00 176.91 178.70 2k0f h ARG 33 N 0.89 0.00 0.00 1.72 3.08 -0.46 -0.88 114.38 118.72 2k0f h ARG 33 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2k0f h ARG 33 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2k0f h ARG 33 CO 0.00 0.14 -0.19 0.77 -1.07 0.00 0.00 179.97 179.63 2k0f h SER 34 N 0.00 0.00 0.01 7.04 0.02 -0.08 -3.12 113.55 117.42 2k0f h SER 34 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k0f h SER 34 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2k0f h SER 34 CO 0.02 0.19 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.82 2k0f h LEU 35 N 0.00 -0.01 0.00 5.07 3.38 -0.82 -3.46 115.31 119.47 2k0f h LEU 35 Ca -0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2k0f h LEU 35 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2k0f h LEU 35 CO 0.02 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2k0f n GLY 36 N 0.37 0.21 3.03 0.83 0.00 -0.60 -5.04 105.19 103.98 2k0f n GLY 36 Ca -0.09 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 0.42 -0.70 1.61 -0.21 -0.44 -4.99 119.66 115.36 2k0f s GLN 37 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 55.36 54.65 2k0f s GLN 37 Cb 0.00 0.15 0.17 0.00 1.00 0.00 0.00 33.01 34.33 2k0f s GLN 37 CO 0.00 -0.08 0.48 -0.80 -2.12 0.00 0.00 175.29 172.78 2k0f s ASN 38 N -1.91 4.79 0.69 5.90 0.01 -1.26 -3.33 114.94 119.83 2k0f s ASN 38 Ca -0.09 -3.82 -0.11 0.00 -0.71 0.00 0.00 52.86 48.13 2k0f s ASN 38 Cb -0.04 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 39.99 2k0f s ASN 38 CO -0.04 -0.09 1.06 -2.16 -1.51 0.00 0.00 177.10 174.36 2k0f s PRO 39 N -1.40 2.96 -0.24 -0.60 0.04 -1.26 -5.05 135.00 129.45 2k0f s PRO 39 Ca 0.25 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.11 2k0f s PRO 39 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2k0f s PRO 39 CO -0.16 -1.07 0.13 0.99 0.04 0.00 0.00 177.00 176.93 2k0f s THR 40 N -3.07 4.93 0.28 1.26 2.01 -1.26 -5.01 115.64 114.79 2k0f s THR 40 Ca 0.58 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 2k0f s THR 40 Cb -0.14 -3.31 0.26 0.00 0.01 0.00 0.00 72.50 69.33 2k0f s THR 40 CO 0.55 0.33 1.95 -0.08 -0.69 0.00 0.00 174.62 176.69 2k0f h GLU 41 N 7.85 1.17 -0.95 4.92 4.81 -1.96 0.19 114.58 130.60 2k0f h GLU 41 Ca -0.37 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 41 Cb 1.18 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 41 CO 0.61 0.77 0.60 0.00 -0.73 0.00 0.00 179.01 180.26 2k0f h ALA 42 N 1.45 1.37 0.23 2.92 0.00 -1.98 0.26 119.26 123.51 2k0f h ALA 42 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 42 Cb -0.13 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.46 2k0f h ALA 42 CO -0.07 0.29 -1.53 1.49 0.00 0.00 0.00 179.25 179.43 2k0f h GLU 43 N 1.02 0.49 -0.47 0.00 4.81 -1.44 -2.39 114.58 116.60 2k0f h GLU 43 Ca 0.44 -0.84 0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 43 Cb 0.31 0.31 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 43 CO -0.22 1.40 0.20 1.25 -0.73 0.00 0.00 179.01 180.92 2k0f h LEU 44 N 0.13 0.26 -0.80 1.64 5.85 -0.61 -2.81 115.31 118.98 2k0f h LEU 44 Ca -0.27 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 44 Cb 2.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.14 2k0f h LEU 44 CO 0.25 0.18 0.32 -0.61 -0.34 0.00 0.00 178.44 178.24 2k0f h GLN 45 N 0.40 1.19 -0.42 1.25 5.75 -0.42 -2.26 115.11 120.60 2k0f h GLN 45 Ca 0.22 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 2k0f h GLN 45 Cb 0.18 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2k0f h GLN 45 CO -0.19 0.96 0.02 0.22 -2.65 0.00 0.00 178.83 177.19 2k0f h ASP 46 N 1.16 0.64 0.03 -0.69 3.58 -1.48 0.30 116.42 119.95 2k0f h ASP 46 Ca 0.27 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.60 2k0f h ASP 46 Cb 0.22 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2k0f h ASP 46 CO -0.02 0.69 -0.52 0.24 -2.88 0.00 0.00 179.24 176.75 2k0f h MET 47 N 0.64 -0.65 -0.90 0.28 2.86 -1.30 -2.34 114.93 113.52 2k0f h MET 47 Ca 0.13 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 47 Cb 0.37 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 47 CO 0.01 -0.43 0.56 0.82 1.06 0.00 0.00 176.91 178.93 2k0f h ILE 48 N -0.67 1.01 -0.95 -1.22 2.04 -1.01 -2.89 117.51 113.81 2k0f h ILE 48 Ca 0.01 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2k0f h ILE 48 Cb 0.71 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2k0f h ILE 48 CO -0.33 0.18 0.62 0.78 0.00 0.00 0.00 178.15 179.39 2k0f h ASN 49 N 0.98 1.02 -0.64 1.72 2.35 -0.33 0.13 115.58 120.82 2k0f h ASN 49 Ca 0.41 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.23 2k0f h ASN 49 Cb 0.25 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.33 2k0f h ASN 49 CO -0.20 0.69 0.30 -0.08 -1.65 0.00 0.00 177.43 176.49 2k0f h GLU 50 N 1.19 0.51 0.29 0.81 4.81 -1.21 -3.05 114.58 117.92 2k0f h GLU 50 Ca 0.38 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2k0f h GLU 50 Cb 0.03 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2k0f h GLU 50 CO -0.13 0.34 -0.14 0.28 -0.73 0.00 0.00 179.01 178.63 2k0f h VAL 51 N 0.53 0.75 -1.56 0.32 2.07 -1.34 -3.44 116.25 113.57 2k0f h VAL 51 Ca 0.31 -0.29 -0.57 0.00 0.82 0.00 0.00 66.70 66.97 2k0f h VAL 51 Cb 0.32 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2k0f h VAL 51 CO -0.26 0.06 1.54 -0.67 0.02 0.00 0.00 177.57 178.26 2k0f n ASP 52 N -5.19 2.56 -0.03 0.57 2.03 0.43 -4.89 116.55 112.03 2k0f n ASP 52 Ca -0.10 0.03 -0.09 0.00 0.52 0.00 0.00 54.79 55.16 2k0f n ASP 52 Cb 0.22 -1.46 0.07 0.00 -0.72 0.00 0.00 41.12 39.22 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 15.67 0.76 0.70 -1.67 0.00 -1.86 -3.40 119.26 129.46 2k0f h ALA 53 Ca -0.31 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 2k0f h ALA 53 Cb 1.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 53 CO 1.06 0.66 -0.34 -0.44 0.00 0.00 0.00 179.25 180.19 2k0f h ASP 54 N 0.53 -0.80 0.00 0.00 3.32 -1.91 -3.48 116.42 114.07 2k0f h ASP 54 Ca 0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 54 Cb 0.96 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 54 CO 0.09 -0.53 0.00 0.61 -1.72 0.00 0.00 179.24 177.68 2k0f n GLY 55 N -1.17 1.46 0.01 2.75 0.00 -1.26 -5.04 105.19 101.94 2k0f n GLY 55 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2k0f n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k0f n ASN 56 N 0.00 4.07 0.00 1.61 5.03 -1.26 -5.03 115.26 119.68 2k0f n ASN 56 Ca 0.00 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2k0f n ASN 56 Cb 0.00 0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k0f n GLY 57 N 3.17 1.62 3.01 7.41 0.00 -1.26 -5.12 105.19 114.02 2k0f n GLY 57 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 0.22 -0.26 2.61 -4.23 -1.26 -4.72 115.64 106.00 2k0f s THR 58 Ca 0.00 -1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 2k0f s THR 58 Cb 0.00 -0.43 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 2k0f s THR 58 CO 0.00 -0.51 0.10 -0.51 -0.54 0.00 0.00 174.62 173.16 2k0f s ILE 59 N -1.61 4.53 0.69 2.99 2.07 -0.96 -4.80 121.20 124.11 2k0f s ILE 59 Ca -0.13 -0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 58.92 2k0f s ILE 59 Cb -0.09 -3.14 0.04 0.00 0.13 0.00 0.00 42.46 39.41 2k0f s ILE 59 CO -0.01 0.31 1.02 -1.81 -1.91 0.00 0.00 174.94 172.54 2k0f s ASP 60 N 1.64 5.08 0.17 4.50 1.11 -1.26 -2.52 116.67 125.39 2k0f s ASP 60 Ca 0.06 0.69 -0.15 0.00 0.18 0.00 0.00 52.55 53.34 2k0f s ASP 60 Cb -0.15 -1.43 0.13 0.00 1.07 0.00 0.00 42.92 42.53 2k0f s ASP 60 CO 0.05 -1.46 1.73 0.15 1.18 0.00 0.00 175.17 176.82 2k0f h PHE 61 N -0.57 0.15 0.00 4.23 3.57 -1.99 0.68 116.94 123.02 2k0f h PHE 61 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.29 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2k0f h PHE 61 CO 0.40 0.02 0.00 -0.35 -2.23 0.00 0.00 178.31 176.14 2k0f n PRO 62 N -5.09 0.44 -0.05 6.41 -0.04 -1.26 -0.20 135.00 135.21 2k0f n PRO 62 Ca 0.03 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 2k0f n PRO 62 Cb 0.19 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.02 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.24 0.70 -0.22 0.54 1.02 -0.82 -1.29 120.64 119.33 2k0f n GLU 63 Ca 0.14 0.28 -0.01 0.00 -0.02 0.00 0.00 57.16 57.55 2k0f n GLU 63 Cb 0.19 -1.66 0.11 0.00 -0.02 0.00 0.00 31.44 30.06 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 -0.16 0.56 -0.26 -0.32 3.57 -0.65 0.64 116.94 120.32 2k0f h PHE 64 Ca -0.47 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 2k0f h PHE 64 Cb 1.88 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 2k0f h PHE 64 CO 0.06 0.22 0.06 -0.07 -2.23 0.00 0.00 178.31 176.35 2k0f h LEU 65 N 0.55 0.39 -0.49 0.59 3.38 -0.65 -0.59 115.31 118.50 2k0f h LEU 65 Ca 0.31 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2k0f h LEU 65 Cb 0.29 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2k0f h LEU 65 CO -0.24 0.52 0.14 0.74 0.09 0.00 0.00 178.44 179.69 2k0f h THR 66 N 0.24 0.79 -0.21 0.22 2.02 -0.83 0.39 112.91 115.53 2k0f h THR 66 Ca 0.08 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2k0f h THR 66 Cb 0.28 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2k0f h THR 66 CO 0.00 0.05 0.09 -0.03 0.37 0.00 0.00 175.52 176.01 2k0f h MET 67 N 0.30 0.19 0.00 6.66 1.85 0.52 -1.50 114.93 122.95 2k0f h MET 67 Ca 0.24 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.23 2k0f h MET 67 Cb 0.28 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 2k0f h MET 67 CO -0.27 0.13 -0.40 0.52 -0.40 0.00 0.00 176.91 176.48 2k0f h MET 68 N 0.20 0.00 0.00 0.39 2.07 -0.76 -3.04 114.93 113.79 2k0f h MET 68 Ca 0.09 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.67 2k0f h MET 68 Cb 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 2k0f h MET 68 CO -0.07 0.40 -0.23 0.00 1.07 0.00 0.00 176.91 178.08 2k0f h ALA 69 N 1.60 0.91 -2.52 6.32 0.00 0.23 -3.46 119.26 122.33 2k0f h ALA 69 Ca -0.00 -0.21 -0.47 0.00 0.00 0.00 0.00 54.91 54.22 2k0f h ALA 69 Cb 0.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k0f h ALA 69 CO 0.05 0.29 0.36 0.50 0.00 0.00 0.00 179.25 180.45 2k0f s ARG 70 N -3.34 4.61 -0.30 0.00 3.52 -0.61 -5.03 118.95 117.80 2k0f s ARG 70 Ca 0.03 1.39 -0.01 0.00 -0.13 0.00 0.00 55.73 57.01 2k0f s ARG 70 Cb 0.08 -2.89 0.06 0.00 -1.56 0.00 0.00 34.95 30.64 2k0f s ARG 70 CO 0.67 0.29 -0.00 0.21 -0.81 0.00 0.00 175.30 175.66 2k0f s LYS 71 N -1.89 2.36 0.27 5.12 2.20 -1.26 -5.02 119.74 121.51 2k0f s LYS 71 Ca 0.49 -1.32 -0.03 0.00 -0.36 0.00 0.00 55.97 54.74 2k0f s LYS 71 Cb -0.21 -3.17 0.06 0.00 -1.51 0.00 0.00 37.83 33.01 2k0f s LYS 71 CO 0.26 -0.65 0.37 -1.33 -0.36 0.00 0.00 175.35 173.65 2k0f n MET 72 N 4.59 -0.09 -1.86 4.03 2.81 -1.26 -5.09 117.12 120.25 2k0f n MET 72 Ca -0.12 -0.72 -0.30 0.00 -1.81 0.00 0.00 57.70 54.74 2k0f n MET 72 Cb 0.43 -0.34 0.04 0.00 -0.71 0.00 0.00 33.22 32.64 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -3.64 2.91 0.35 0.03 -2.85 -1.26 -4.81 119.74 110.47 2k0f s LYS 73 Ca 0.22 0.52 0.10 0.00 -1.00 0.00 0.00 55.97 55.82 2k0f s LYS 73 Cb -0.01 -2.02 0.87 0.00 -2.06 0.00 0.00 37.83 34.61 2k0f s LYS 73 CO 0.15 -1.01 1.81 -0.44 0.10 0.00 0.00 175.35 175.97 2k0f h ASP 74 N -0.64 0.64 -0.57 0.03 3.32 -1.99 -1.05 116.42 116.17 2k0f h ASP 74 Ca -0.45 0.07 0.12 0.00 0.02 0.00 0.00 57.03 56.79 2k0f h ASP 74 Cb 1.25 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 2k0f h ASP 74 CO 0.63 0.25 -0.05 0.71 -1.72 0.00 0.00 179.24 179.07 2k0f h THR 75 N 0.64 0.50 0.02 0.35 1.35 -1.99 -1.74 112.91 112.04 2k0f h THR 75 Ca 0.53 -0.03 -0.23 0.00 -0.55 0.00 0.00 66.41 66.13 2k0f h THR 75 Cb 0.98 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 67.79 2k0f h THR 75 CO -0.28 0.01 -1.11 0.44 -0.25 0.00 0.00 175.52 174.33 2k0f h ASP 76 N 0.08 0.08 -0.22 5.36 3.32 -1.59 -0.40 116.42 123.04 2k0f h ASP 76 Ca 0.29 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2k0f h ASP 76 Cb 0.46 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2k0f h ASP 76 CO -0.52 1.07 0.11 0.28 -1.72 0.00 0.00 179.24 178.47 2k0f h SER 77 N 0.01 0.29 -0.11 6.45 0.02 -1.25 -2.45 113.55 116.51 2k0f h SER 77 Ca -0.06 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2k0f h SER 77 Cb 1.83 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.29 2k0f h SER 77 CO 0.14 0.31 0.04 -0.08 -1.14 0.00 0.00 176.83 176.10 2k0f h GLU 78 N 0.24 0.17 -0.81 3.45 4.81 -1.25 -3.26 114.58 117.93 2k0f h GLU 78 Ca 0.08 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 78 Cb 0.09 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2k0f h GLU 78 CO -0.01 0.31 0.53 1.49 -0.73 0.00 0.00 179.01 180.60 2k0f h GLU 79 N 0.00 0.91 -0.66 1.92 4.81 -0.95 -1.91 114.58 118.69 2k0f h GLU 79 Ca 0.04 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 79 Cb 0.21 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2k0f h GLU 79 CO -0.00 0.60 0.38 1.49 -0.73 0.00 0.00 179.01 180.75 2k0f h GLU 80 N 0.94 0.69 0.21 1.92 4.81 -1.48 0.72 114.58 122.38 2k0f h GLU 80 Ca 0.34 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 80 Cb 0.15 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.40 2k0f h GLU 80 CO -0.11 0.45 -1.51 0.82 -0.73 0.00 0.00 179.01 177.94 2k0f h ILE 81 N 0.71 1.23 -0.18 2.32 1.08 -1.49 0.53 117.51 121.70 2k0f h ILE 81 Ca 0.29 -2.74 0.04 0.00 -0.39 0.00 0.00 64.86 62.06 2k0f h ILE 81 Cb 0.15 2.94 -0.04 0.00 -3.07 0.00 0.00 36.82 36.80 2k0f h ILE 81 CO -0.17 0.84 -0.07 0.03 -0.69 0.00 0.00 178.15 178.09 2k0f h ARG 82 N 0.12 -0.04 0.00 2.37 3.08 -1.21 0.18 114.38 118.88 2k0f h ARG 82 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 2k0f h ARG 82 Cb 2.11 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.16 2k0f h ARG 82 CO 0.23 -0.03 -0.16 0.93 -1.07 0.00 0.00 179.97 179.87 2k0f h GLU 83 N -0.04 0.00 -0.09 0.04 4.39 -0.76 -2.16 114.58 115.95 2k0f h GLU 83 Ca 0.09 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 83 Cb 0.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2k0f h GLU 83 CO -0.21 0.16 -0.54 0.00 -1.16 0.00 0.00 179.01 177.27 2k0f h ALA 84 N 1.84 0.19 -0.66 3.43 0.00 -0.44 -2.91 119.26 120.70 2k0f h ALA 84 Ca -0.00 -0.52 0.13 0.00 0.00 0.00 0.00 54.91 54.51 2k0f h ALA 84 Cb 0.38 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 2k0f h ALA 84 CO 0.02 0.40 -0.24 0.35 0.00 0.00 0.00 179.25 179.78 2k0f h PHE 85 N 0.12 -0.61 0.00 0.00 3.04 -0.48 -2.08 116.94 116.94 2k0f h PHE 85 Ca -0.04 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2k0f h PHE 85 Cb 1.19 0.37 0.00 0.00 2.56 0.00 0.00 35.95 40.06 2k0f h PHE 85 CO 0.12 -0.34 0.00 0.54 -2.02 0.00 0.00 178.31 176.61 2k0f n ARG 86 N -5.46 0.03 0.03 1.11 1.74 -0.83 -1.16 116.66 112.12 2k0f n ARG 86 Ca 0.07 0.34 -0.19 0.00 -0.77 0.00 0.00 57.85 57.30 2k0f n ARG 86 Cb 0.36 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.18 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 1.43 0.36 1.55 2.07 -1.18 -3.36 116.25 117.11 2k0f h VAL 87 Ca 0.00 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 2k0f h VAL 87 Cb 0.06 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2k0f h VAL 87 CO 0.00 0.66 -0.17 -0.26 0.02 0.00 0.00 177.57 177.81 2k0f h PHE 88 N -0.11 -0.45 -0.88 1.57 -1.00 -1.53 -3.42 116.94 111.12 2k0f h PHE 88 Ca -0.11 -0.01 -0.64 0.00 2.81 0.00 0.00 57.97 60.02 2k0f h PHE 88 Cb 1.49 0.15 -0.08 0.00 3.61 0.00 0.00 35.95 41.11 2k0f h PHE 88 CO 0.15 -0.11 1.98 0.34 -1.61 0.00 0.00 178.31 179.06 2k0f s ASP 89 N -5.03 6.64 0.09 2.17 2.15 -0.31 -4.80 116.67 117.58 2k0f s ASP 89 Ca -0.13 -2.18 -0.11 0.00 0.43 0.00 0.00 52.55 50.56 2k0f s ASP 89 Cb 0.02 -2.58 -0.21 0.00 -0.30 0.00 0.00 42.92 39.85 2k0f s ASP 89 CO 0.49 -1.38 1.20 0.50 -0.17 0.00 0.00 175.17 175.81 2k0f h LYS 90 N 8.20 0.59 -0.02 4.34 3.64 -1.82 -3.01 116.57 128.49 2k0f h LYS 90 Ca 0.38 -0.68 -0.26 0.00 -1.27 0.00 0.00 60.65 58.83 2k0f h LYS 90 Cb 0.90 0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2k0f h LYS 90 CO 1.44 1.27 -0.99 0.38 -2.27 0.00 0.00 179.45 179.28 2k0f h ASP 91 N 0.31 0.89 -2.61 4.20 3.04 -1.95 -3.49 116.42 116.82 2k0f h ASP 91 Ca -0.13 -0.73 0.00 0.00 -3.24 0.00 0.00 57.03 52.93 2k0f h ASP 91 Cb 1.72 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.74 2k0f h ASP 91 CO 0.20 1.50 0.00 0.61 -2.04 0.00 0.00 179.24 179.51 2k0f n GLY 92 N 1.05 0.46 0.09 7.15 0.00 -1.14 -4.97 105.19 107.83 2k0f n GLY 92 Ca -0.11 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.12 0.94 0.00 1.61 6.94 -1.26 -4.96 115.26 117.41 2k0f n ASN 93 Ca 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.59 2k0f n ASN 93 Cb 0.43 0.86 0.00 0.00 -2.36 0.00 0.00 39.78 38.72 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.29 0.82 3.12 4.83 0.00 -1.26 -5.09 105.19 108.90 2k0f n GLY 94 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 1.46 -0.20 1.61 2.02 -1.26 -4.44 117.35 114.53 2k0f s TYR 95 Ca 0.00 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.18 2k0f s TYR 95 Cb 0.00 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 2k0f s TYR 95 CO 0.00 -0.08 0.51 0.42 -1.57 0.00 0.00 175.55 174.82 2k0f s ILE 96 N -0.16 5.11 0.52 2.71 1.01 0.01 -4.76 121.20 125.64 2k0f s ILE 96 Ca 0.02 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.63 2k0f s ILE 96 Cb -0.08 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.57 2k0f s ILE 96 CO 0.00 0.18 0.24 -0.94 0.00 0.00 0.00 174.94 174.43 2k0f s SER 97 N 1.17 4.44 0.45 3.58 1.04 -1.26 -2.63 113.70 120.49 2k0f s SER 97 Ca 0.23 -1.37 0.24 0.00 0.48 0.00 0.00 55.95 55.54 2k0f s SER 97 Cb -0.15 0.37 1.02 0.00 0.10 0.00 0.00 66.02 67.36 2k0f s SER 97 CO 0.09 -0.96 1.87 0.00 0.98 0.00 0.00 173.24 175.22 2k0f h ALA 98 N 1.02 1.07 -0.01 5.32 0.00 -1.96 -0.04 119.26 124.66 2k0f h ALA 98 Ca -0.40 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 2k0f h ALA 98 Cb 1.30 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2k0f h ALA 98 CO 0.64 0.26 -0.44 0.00 0.00 0.00 0.00 179.25 179.72 2k0f h ALA 99 N 1.79 0.06 -0.43 0.00 0.00 -1.98 -2.59 119.26 116.11 2k0f h ALA 99 Ca -0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2k0f h ALA 99 Cb 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k0f h ALA 99 CO 0.03 0.23 -0.31 0.93 0.00 0.00 0.00 179.25 180.13 2k0f h GLU 100 N -0.28 0.97 -0.61 0.00 5.08 -1.77 0.12 114.58 118.09 2k0f h GLU 100 Ca -0.05 -0.47 0.13 0.00 -1.00 0.00 0.00 59.36 57.96 2k0f h GLU 100 Cb 1.16 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 2k0f h GLU 100 CO 0.09 1.14 0.03 1.25 -1.00 0.00 0.00 179.01 180.51 2k0f h LEU 101 N 0.81 -0.22 -0.80 1.33 5.85 -1.14 -0.52 115.31 120.62 2k0f h LEU 101 Ca 0.08 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2k0f h LEU 101 Cb 0.90 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2k0f h LEU 101 CO 0.08 -0.09 0.47 0.03 -0.34 0.00 0.00 178.44 178.59 2k0f h ARG 102 N 0.14 1.10 -0.08 1.25 3.08 -1.07 -2.49 114.38 116.30 2k0f h ARG 102 Ca 0.32 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2k0f h ARG 102 Cb 0.51 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2k0f h ARG 102 CO -0.50 0.79 0.05 1.25 -1.07 0.00 0.00 179.97 180.49 2k0f h HIS 103 N 1.10 0.11 0.36 3.04 2.76 -0.05 0.35 115.15 122.83 2k0f h HIS 103 Ca 0.29 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2k0f h HIS 103 Cb -0.02 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2k0f h HIS 103 CO -0.00 0.13 -0.17 0.28 -1.30 0.00 0.00 177.93 176.86 2k0f h VAL 104 N 0.07 0.65 -0.68 5.26 2.07 -1.14 -0.85 116.25 121.62 2k0f h VAL 104 Ca 0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.70 2k0f h VAL 104 Cb 0.05 0.65 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 2k0f h VAL 104 CO -0.01 0.00 0.02 0.24 0.02 0.00 0.00 177.57 177.84 2k0f h MET 105 N -0.48 0.12 -0.52 1.57 2.07 -1.17 -1.01 114.93 115.50 2k0f h MET 105 Ca -0.05 -0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.49 2k0f h MET 105 Cb 0.37 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 2k0f h MET 105 CO 0.08 0.08 -0.01 1.15 1.07 0.00 0.00 176.91 179.28 2k0f h THR 106 N 0.13 1.26 0.03 2.22 2.02 0.00 0.60 112.91 119.17 2k0f h THR 106 Ca 0.37 -1.11 -0.25 0.00 0.77 0.00 0.00 66.41 66.19 2k0f h THR 106 Cb 0.62 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2k0f h THR 106 CO -0.58 0.39 -1.03 0.78 0.37 0.00 0.00 175.52 175.45 2k0f h ASN 107 N 0.80 0.63 -0.17 4.18 2.35 -0.47 -3.22 115.58 119.68 2k0f h ASN 107 Ca 0.15 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 2k0f h ASN 107 Cb 0.54 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2k0f h ASN 107 CO 0.03 1.34 0.08 -0.07 -1.65 0.00 0.00 177.43 177.16 2k0f h LEU 108 N 0.25 0.23 0.00 1.61 3.38 -1.24 -3.46 115.31 116.07 2k0f h LEU 108 Ca -0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2k0f h LEU 108 Cb 1.69 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2k0f h LEU 108 CO 0.19 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.62 2k0f n GLY 109 N -0.80 1.74 3.81 0.83 0.00 -0.58 -4.93 105.19 105.25 2k0f n GLY 109 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.07 -1.26 1.61 0.41 0.10 -4.97 118.70 118.66 2k0f s GLU 110 Ca 0.00 0.50 -0.18 0.00 -0.41 0.00 0.00 54.97 54.88 2k0f s GLU 110 Cb 0.00 -3.27 0.01 0.00 -1.78 0.00 0.00 34.13 29.09 2k0f s GLU 110 CO 0.00 0.58 1.93 1.63 -0.49 0.00 0.00 175.26 178.91 2k0f n LYS 111 N 2.14 2.62 -2.64 1.61 5.02 -1.26 -4.51 118.16 121.14 2k0f n LYS 111 Ca -0.12 -2.79 -0.41 0.00 -2.02 0.00 0.00 58.31 52.98 2k0f n LYS 111 Cb 0.52 -3.42 -0.04 0.00 -0.02 0.00 0.00 35.03 32.07 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0f s LEU 112 N 4.55 4.48 0.00 -0.35 2.34 -1.26 -5.03 118.68 123.41 2k0f s LEU 112 Ca 0.55 1.89 0.00 0.00 0.06 0.00 0.00 54.13 56.64 2k0f s LEU 112 Cb 0.07 -3.59 -0.00 0.00 -0.56 0.00 0.00 46.19 42.11 2k0f s LEU 112 CO 0.05 -0.16 0.00 0.35 -1.06 0.00 0.00 176.35 175.53 2k0f n THR 113 N 2.83 0.00 0.09 5.48 -2.24 -1.26 -5.03 114.28 114.15 2k0f n THR 113 Ca 0.03 -1.65 -0.05 0.00 -2.27 0.00 0.00 64.05 60.11 2k0f n THR 113 Cb 0.48 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.84 0.06 -0.39 3.42 3.32 -2.01 -3.19 116.42 118.47 2k0f h ASP 114 Ca -0.29 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 2k0f h ASP 114 Cb 0.88 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2k0f h ASP 114 CO 0.48 0.87 0.19 -0.33 -1.72 0.00 0.00 179.24 178.73 2k0f h GLU 115 N 0.02 0.55 -0.10 3.56 5.08 -1.99 -2.90 114.58 118.81 2k0f h GLU 115 Ca -0.02 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 115 Cb 1.48 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2k0f h GLU 115 CO 0.11 0.48 -0.68 0.93 -1.00 0.00 0.00 179.01 178.86 2k0f h GLU 116 N 0.49 0.41 -0.13 2.33 4.39 -1.96 -2.50 114.58 117.60 2k0f h GLU 116 Ca 0.13 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 2k0f h GLU 116 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2k0f h GLU 116 CO -0.02 0.94 0.07 0.28 -1.16 0.00 0.00 179.01 179.12 2k0f h VAL 117 N 0.29 1.09 -1.01 3.13 2.07 -1.53 -2.87 116.25 117.42 2k0f h VAL 117 Ca -0.02 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.33 2k0f h VAL 117 Cb 1.23 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 2k0f h VAL 117 CO 0.12 0.08 0.65 -0.78 0.02 0.00 0.00 177.57 177.66 2k0f h ASP 118 N 0.12 1.05 -0.55 0.57 3.58 -1.56 -2.41 116.42 117.22 2k0f h ASP 118 Ca 0.05 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 2k0f h ASP 118 Cb 0.06 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2k0f h ASP 118 CO -0.01 0.68 0.11 -0.08 -2.88 0.00 0.00 179.24 177.06 2k0f h GLU 119 N 1.20 0.90 -0.12 0.28 4.81 -1.23 -1.20 114.58 119.22 2k0f h GLU 119 Ca 0.43 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 119 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2k0f h GLU 119 CO -0.16 0.86 0.07 0.52 -0.73 0.00 0.00 179.01 179.57 2k0f h MET 120 N 0.79 0.15 -0.14 1.92 2.86 -1.27 0.73 114.93 119.97 2k0f h MET 120 Ca 0.17 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2k0f h MET 120 Cb 0.38 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 2k0f h MET 120 CO 0.01 0.12 -0.44 0.82 1.06 0.00 0.00 176.91 178.48 2k0f h ILE 121 N 0.14 0.12 -0.75 -1.22 1.08 -1.34 -2.13 117.51 113.40 2k0f h ILE 121 Ca 0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.47 2k0f h ILE 121 Cb 0.00 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 2k0f h ILE 121 CO -0.01 0.00 0.29 0.03 -0.69 0.00 0.00 178.15 177.77 2k0f h ARG 122 N -0.50 1.12 -0.49 2.37 3.08 -0.79 0.19 114.38 119.36 2k0f h ARG 122 Ca 0.07 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2k0f h ARG 122 Cb 0.64 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2k0f h ARG 122 CO -0.41 0.92 0.31 1.49 -1.07 0.00 0.00 179.97 181.21 2k0f h GLU 123 N 1.09 0.66 0.00 0.04 4.81 0.55 -3.31 114.58 118.43 2k0f h GLU 123 Ca 0.25 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 123 Cb 0.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 123 CO -0.02 0.46 -1.10 0.00 -0.73 0.00 0.00 179.01 177.62 2k0f n ALA 124 N -2.25 2.71 -2.14 2.92 0.00 -0.81 -4.79 120.51 116.15 2k0f n ALA 124 Ca 0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 2k0f n ALA 124 Cb 0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -4.96 5.91 0.06 0.00 2.15 0.63 -4.84 116.67 115.61 2k0f s ASP 125 Ca -0.00 0.86 0.02 0.00 0.43 0.00 0.00 52.55 53.86 2k0f s ASP 125 Cb 0.11 -2.53 -0.25 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 125 CO 0.80 -1.77 1.05 0.40 -0.17 0.00 0.00 175.17 175.48 2k0f h ILE 126 N 6.68 1.40 0.00 4.11 2.04 -1.88 -3.35 117.51 126.52 2k0f h ILE 126 Ca -0.30 -3.07 -0.00 0.00 1.00 0.00 0.00 64.86 62.49 2k0f h ILE 126 Cb 1.14 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 2k0f h ILE 126 CO 1.10 0.86 -0.00 0.44 0.00 0.00 0.00 178.15 180.54 2k0f h ASP 127 N 0.04 -0.00 -1.78 1.72 3.32 -1.90 -3.49 116.42 114.32 2k0f h ASP 127 Ca -0.14 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.22 2k0f h ASP 127 Cb 1.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.47 2k0f h ASP 127 CO 0.15 0.69 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 2k0f n GLY 128 N 0.78 0.64 0.00 2.75 0.00 -1.26 -5.02 105.19 103.09 2k0f n GLY 128 Ca -0.09 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.89 1.77 0.00 1.61 5.75 -1.26 -5.01 116.55 118.52 2k0f n ASP 129 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 2k0f n ASP 129 Cb 0.37 1.17 0.00 0.00 -1.03 0.00 0.00 41.12 41.63 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.61 2.69 3.60 6.12 0.00 -1.26 -5.09 105.19 112.87 2k0f n GLY 130 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.42 3.20 -0.10 1.61 -1.52 -1.26 -4.61 119.66 116.56 2k0f s GLN 131 Ca 0.00 -0.47 -0.23 0.00 -1.95 0.00 0.00 55.36 52.71 2k0f s GLN 131 Cb 0.00 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.95 2k0f s GLN 131 CO 0.00 0.53 0.68 0.08 -0.25 0.00 0.00 175.29 176.33 2k0f s VAL 132 N -0.42 5.05 0.55 1.09 1.01 -1.08 -4.85 120.40 121.74 2k0f s VAL 132 Ca 0.07 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.48 2k0f s VAL 132 Cb -0.12 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.29 2k0f s VAL 132 CO 0.02 0.22 0.44 0.54 0.00 0.00 0.00 175.10 176.32 2k0f s ASN 133 N 0.86 4.67 0.10 3.32 2.20 -1.26 -0.81 114.94 124.02 2k0f s ASN 133 Ca 0.35 -1.22 -0.14 0.00 -0.94 0.00 0.00 52.86 50.92 2k0f s ASN 133 Cb -0.17 0.41 -0.10 0.00 -2.00 0.00 0.00 41.25 39.39 2k0f s ASN 133 CO 0.16 -1.13 1.39 0.22 -2.94 0.00 0.00 177.10 174.80 2k0f h TYR 134 N 0.70 0.95 -0.97 1.54 3.20 -1.99 -2.17 116.97 118.23 2k0f h TYR 134 Ca -0.36 -0.32 0.11 0.00 3.14 0.00 0.00 58.73 61.29 2k0f h TYR 134 Cb 1.30 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 2k0f h TYR 134 CO 0.94 1.11 0.62 1.49 -1.64 0.00 0.00 178.16 180.67 2k0f h GLU 135 N 0.51 0.94 0.00 1.82 4.81 -1.98 0.22 114.58 120.91 2k0f h GLU 135 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 135 Cb 1.02 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2k0f h GLU 135 CO 0.10 0.62 0.00 0.93 -0.73 0.00 0.00 179.01 179.93 2k0f h GLU 136 N 0.97 0.00 0.16 1.92 5.08 -1.85 -1.31 114.58 119.55 2k0f h GLU 136 Ca 0.46 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 136 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 136 CO -0.22 0.00 -1.82 0.35 -1.00 0.00 0.00 179.01 176.32 2k0f h PHE 137 N 0.00 0.62 -0.33 4.33 3.57 -0.86 -2.96 116.94 121.30 2k0f h PHE 137 Ca 0.00 -0.45 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 137 Cb 0.67 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2k0f h PHE 137 CO 0.00 1.69 -0.08 0.28 -2.23 0.00 0.00 178.31 177.97 2k0f h VAL 138 N 0.09 1.28 -0.14 1.41 2.07 -0.80 -3.27 116.25 116.89 2k0f h VAL 138 Ca -0.36 -1.13 -0.16 0.00 0.82 0.00 0.00 66.70 65.86 2k0f h VAL 138 Cb 2.07 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2k0f h VAL 138 CO 0.15 0.37 -0.60 -0.61 0.02 0.00 0.00 177.57 176.90 2k0f h GLN 139 N 0.43 0.48 -0.12 1.57 5.75 -1.36 -1.90 115.11 119.97 2k0f h GLN 139 Ca 0.08 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.20 2k0f h GLN 139 Cb 0.58 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 2k0f h GLN 139 CO 0.03 0.94 -0.19 0.00 -2.65 0.00 0.00 178.83 176.96 2k0f h MET 140 N 0.36 0.19 0.03 1.69 -0.00 -1.62 -2.88 114.93 112.71 2k0f h MET 140 Ca -0.00 -0.05 -0.23 0.00 -0.00 0.00 0.00 59.70 59.42 2k0f h MET 140 Cb 1.14 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.70 2k0f h MET 140 CO 0.11 0.38 -1.09 0.52 -0.00 0.00 0.00 176.91 176.83 2k0f h MET 141 N 0.18 0.07 -0.01 -0.10 2.86 -1.41 -3.51 114.93 113.01 2k0f h MET 141 Ca 0.03 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 141 Cb 0.45 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 141 CO 0.03 1.05 0.00 0.25 1.06 0.00 0.00 176.91 179.30