#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 1.08 -0.34 -0.78 4.39 -2.05 -2.40 114.58 114.49 2k0f h GLU 2 Ca 0.00 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2k0f h GLU 2 Cb 0.00 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2k0f h GLU 2 CO 0.00 0.72 -0.39 0.93 -1.16 0.00 0.00 179.01 179.11 2k0f h GLU 3 N 1.12 0.81 0.09 2.33 5.08 -2.06 0.92 114.58 122.88 2k0f h GLU 3 Ca 0.42 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 3 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 3 CO -0.17 1.05 -0.11 1.96 -1.00 0.00 0.00 179.01 180.74 2k0f h GLN 4 N 0.66 -0.24 -0.67 2.33 4.20 -1.96 -2.19 115.11 117.25 2k0f h GLN 4 Ca 0.06 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2k0f h GLN 4 Cb 0.95 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 2k0f h GLN 4 CO 0.09 -0.16 0.17 0.82 -0.67 0.00 0.00 178.83 179.08 2k0f h ILE 5 N -0.24 1.26 -0.38 2.54 1.08 -1.11 -2.64 117.51 118.02 2k0f h ILE 5 Ca 0.01 -0.94 0.03 0.00 -0.39 0.00 0.00 64.86 63.57 2k0f h ILE 5 Cb 0.25 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2k0f h ILE 5 CO -0.05 0.36 0.26 0.00 -0.69 0.00 0.00 178.15 178.03 2k0f h ALA 6 N 1.07 1.88 0.00 1.87 0.00 -0.79 -2.21 119.26 121.08 2k0f h ALA 6 Ca 0.21 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 6 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 6 CO 0.00 0.07 -0.60 0.93 0.00 0.00 0.00 179.25 179.65 2k0f h GLU 7 N 0.38 0.00 -0.11 0.00 5.08 -1.00 0.71 114.58 119.64 2k0f h GLU 7 Ca 0.16 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 7 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 7 CO -0.04 0.60 -0.76 0.74 -1.00 0.00 0.00 179.01 178.55 2k0f h PHE 8 N 0.00 0.98 -0.16 4.33 0.04 -1.54 -2.68 116.94 117.91 2k0f h PHE 8 Ca -0.01 -0.46 -0.12 0.00 2.80 0.00 0.00 57.97 60.19 2k0f h PHE 8 Cb 1.06 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 2k0f h PHE 8 CO 0.00 1.28 -0.41 -0.22 -0.60 0.00 0.00 178.31 178.36 2k0f h LYS 9 N 0.40 0.36 -0.53 1.51 3.64 -1.07 0.37 116.57 121.24 2k0f h LYS 9 Ca -0.06 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 2k0f h LYS 9 Cb 1.40 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 2k0f h LYS 9 CO 0.16 0.71 0.25 0.93 -2.27 0.00 0.00 179.45 179.22 2k0f h GLU 10 N 0.30 0.75 -0.54 1.90 5.08 -0.93 -2.95 114.58 118.18 2k0f h GLU 10 Ca 0.03 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 10 Cb 0.85 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2k0f h GLU 10 CO 0.07 0.59 -0.01 0.00 -1.00 0.00 0.00 179.01 178.66 2k0f h ALA 11 N 1.52 0.73 -0.26 3.43 0.00 -0.65 -3.17 119.26 120.87 2k0f h ALA 11 Ca 0.19 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 11 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k0f h ALA 11 CO -0.02 0.57 0.38 0.35 0.00 0.00 0.00 179.25 180.52 2k0f h PHE 12 N 0.85 0.00 0.00 0.00 3.04 -0.86 -2.03 116.94 117.95 2k0f h PHE 12 Ca 0.15 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 2k0f h PHE 12 Cb 0.55 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 2k0f h PHE 12 CO 0.04 0.00 -0.12 0.77 -2.02 0.00 0.00 178.31 176.98 2k0f h SER 13 N 0.00 0.00 1.21 0.41 0.02 -1.63 -1.80 113.55 111.76 2k0f h SER 13 Ca 0.12 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 2k0f h SER 13 Cb 0.88 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2k0f h SER 13 CO -0.00 0.12 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.23 2k0f h LEU 14 N 0.00 0.00 0.00 5.07 3.38 -1.58 -3.37 115.31 118.80 2k0f h LEU 14 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 14 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k0f h LEU 14 CO 0.02 0.51 -0.31 -0.26 0.09 0.00 0.00 178.44 178.49 2k0f h PHE 15 N 0.00 0.00 -2.98 1.13 0.04 -1.51 -3.46 116.94 110.16 2k0f h PHE 15 Ca -0.01 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 2k0f h PHE 15 Cb 1.25 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.36 2k0f h PHE 15 CO 0.00 0.00 0.95 0.34 -0.60 0.00 0.00 178.31 179.00 2k0f s ASP 16 N -5.51 6.80 0.05 2.17 -1.08 -0.88 -4.73 116.67 113.49 2k0f s ASP 16 Ca -0.09 1.52 0.23 0.00 -0.52 0.00 0.00 52.55 53.69 2k0f s ASP 16 Cb 0.01 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 39.10 2k0f s ASP 16 CO 0.13 -0.92 1.14 0.29 0.52 0.00 0.00 175.17 176.33 2k0f n LYS 17 N 6.95 0.24 -0.04 4.34 4.76 -1.26 -3.97 118.16 129.18 2k0f n LYS 17 Ca 0.15 0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.41 2k0f n LYS 17 Cb 0.45 -1.60 -0.13 0.00 -1.84 0.00 0.00 35.03 31.92 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 0.20 -0.00 4.39 3.32 -1.92 -3.49 116.42 118.92 2k0f h ASP 18 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 2k0f h ASP 18 Cb 0.69 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2k0f h ASP 18 CO 0.00 1.39 0.00 0.61 -1.72 0.00 0.00 179.24 179.52 2k0f n GLY 19 N 1.62 1.55 0.03 2.75 0.00 -1.25 -5.05 105.19 104.83 2k0f n GLY 19 Ca -0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.94 -3.50 116.42 114.62 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 2k0f h ASP 20 CO 0.00 0.35 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 2k0f n GLY 21 N 1.80 1.31 3.00 7.15 0.00 -1.26 -5.11 105.19 112.08 2k0f n GLY 21 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.31 0.48 -0.20 2.61 -4.23 -1.26 -2.67 115.64 109.07 2k0f s THR 22 Ca 0.00 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 2k0f s THR 22 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 2k0f s THR 22 CO 0.00 -0.08 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.26 2k0f s ILE 23 N -0.64 2.83 0.61 2.99 1.01 -0.56 -4.82 121.20 122.62 2k0f s ILE 23 Ca -0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 2k0f s ILE 23 Cb -0.05 -2.25 0.14 0.00 0.01 0.00 0.00 42.46 40.31 2k0f s ILE 23 CO 0.00 0.48 0.83 0.35 0.00 0.00 0.00 174.94 176.60 2k0f n THR 24 N 4.62 0.00 0.15 2.92 -2.24 -1.26 -1.99 114.28 116.48 2k0f n THR 24 Ca -0.19 -0.73 -0.14 0.00 -2.27 0.00 0.00 64.05 60.72 2k0f n THR 24 Cb 0.51 -1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 67.11 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -1.30 0.78 -0.47 4.28 1.35 -1.91 -2.37 112.91 113.28 2k0f h THR 25 Ca -0.27 -0.34 0.02 0.00 -0.55 0.00 0.00 66.41 65.26 2k0f h THR 25 Cb 0.78 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 2k0f h THR 25 CO 0.21 0.07 0.31 0.11 -0.25 0.00 0.00 175.52 175.97 2k0f h LYS 26 N -0.54 0.57 -0.37 4.72 1.79 -1.97 0.33 116.57 121.10 2k0f h LYS 26 Ca -0.04 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 2k0f h LYS 26 Cb 0.40 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2k0f h LYS 26 CO 0.06 0.38 -0.36 0.93 -1.08 0.00 0.00 179.45 179.37 2k0f h GLU 27 N 0.59 0.90 -0.40 3.15 5.08 -1.90 -1.93 114.58 120.07 2k0f h GLU 27 Ca 0.18 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 27 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 27 CO -0.04 1.12 0.23 1.25 -1.00 0.00 0.00 179.01 180.58 2k0f h LEU 28 N 0.71 0.38 -0.76 1.33 5.85 -1.21 -3.20 115.31 118.42 2k0f h LEU 28 Ca 0.06 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 28 Cb 0.96 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2k0f h LEU 28 CO 0.09 0.27 -0.57 1.23 -0.34 0.00 0.00 178.44 179.13 2k0f h GLY 29 N 0.48 0.18 1.01 3.75 0.00 -0.26 -2.34 103.07 105.88 2k0f h GLY 29 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2k0f h GLY 29 CO -0.07 0.19 0.33 -0.84 0.00 0.00 0.00 176.54 176.14 2k0f h THR 30 N 0.13 1.24 -0.52 4.70 2.02 -1.42 -0.51 112.91 118.54 2k0f h THR 30 Ca -0.00 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2k0f h THR 30 Cb 1.04 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 2k0f h THR 30 CO 0.08 0.28 0.23 0.58 0.37 0.00 0.00 175.52 177.07 2k0f h VAL 31 N 0.99 0.89 0.46 3.16 2.07 -1.51 0.30 116.25 122.62 2k0f h VAL 31 Ca 0.24 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2k0f h VAL 31 Cb 0.14 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2k0f h VAL 31 CO -0.03 0.08 -0.25 0.24 0.02 0.00 0.00 177.57 177.64 2k0f h MET 32 N 0.45 -0.63 -0.99 1.57 2.86 -1.28 -0.60 114.93 116.30 2k0f h MET 32 Ca 0.24 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.03 2k0f h MET 32 Cb 0.20 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 2k0f h MET 32 CO -0.20 -0.42 0.63 -0.09 1.06 0.00 0.00 176.91 177.88 2k0f h ARG 33 N -0.66 0.98 -0.22 1.72 2.43 -0.55 0.17 114.38 118.25 2k0f h ARG 33 Ca -0.06 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2k0f h ARG 33 Cb 0.52 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2k0f h ARG 33 CO 0.09 0.65 0.10 0.77 -1.51 0.00 0.00 179.97 180.06 2k0f h SER 34 N 1.01 0.14 0.16 -3.80 0.02 -0.75 -3.15 113.55 107.17 2k0f h SER 34 Ca 0.47 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.26 2k0f h SER 34 Cb 0.43 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k0f h SER 34 CO -0.23 0.11 -0.69 -0.07 -1.14 0.00 0.00 176.83 174.81 2k0f h LEU 35 N 0.21 0.56 0.00 5.07 3.38 -0.44 -3.47 115.31 120.62 2k0f h LEU 35 Ca 0.09 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2k0f h LEU 35 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2k0f h LEU 35 CO -0.07 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2k0f n GLY 36 N 0.49 0.27 2.95 0.83 0.00 0.34 -5.09 105.19 104.98 2k0f n GLY 36 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.57 -0.42 1.61 -0.21 0.22 -4.96 119.66 116.46 2k0f s GLN 37 Ca 0.00 -0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.25 2k0f s GLN 37 Cb 0.00 -0.57 0.18 0.00 1.00 0.00 0.00 33.01 33.63 2k0f s GLN 37 CO 0.00 0.07 0.43 0.09 -2.12 0.00 0.00 175.29 173.76 2k0f n ASN 38 N 3.25 -0.89 -4.15 5.90 3.02 -1.26 -2.46 115.26 118.66 2k0f n ASN 38 Ca -0.17 -2.51 -0.29 0.00 -0.03 0.00 0.00 54.58 51.58 2k0f n ASN 38 Cb 0.56 -0.18 0.18 0.00 -0.61 0.00 0.00 39.78 39.73 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N 0.04 0.68 0.44 3.52 0.04 -1.26 -5.04 135.00 133.42 2k0f s PRO 39 Ca 0.33 -0.46 -0.22 0.00 0.04 0.00 0.00 61.00 60.69 2k0f s PRO 39 Cb 0.06 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2k0f s PRO 39 CO -0.17 -2.37 1.04 -0.08 0.04 0.00 0.00 177.00 175.46 2k0f s THR 40 N -3.85 3.81 0.45 1.26 -1.32 -1.26 -4.90 115.64 109.83 2k0f s THR 40 Ca 0.74 1.24 0.12 0.00 -1.21 0.00 0.00 61.69 62.57 2k0f s THR 40 Cb -0.04 -3.57 0.28 0.00 -1.51 0.00 0.00 72.50 67.67 2k0f s THR 40 CO 0.53 -0.13 2.07 -0.33 -2.21 0.00 0.00 174.62 174.54 2k0f h GLU 41 N 2.01 0.33 -0.53 7.08 4.39 -1.98 -1.49 114.58 124.39 2k0f h GLU 41 Ca -0.49 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.10 2k0f h GLU 41 Cb 1.21 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2k0f h GLU 41 CO 0.61 0.22 -0.04 0.00 -1.16 0.00 0.00 179.01 178.64 2k0f h ALA 42 N 1.81 0.72 -0.16 3.43 0.00 -1.98 -1.83 119.26 121.25 2k0f h ALA 42 Ca 0.14 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 42 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 42 CO -0.03 0.58 -0.54 0.93 0.00 0.00 0.00 179.25 180.19 2k0f h GLU 43 N 0.84 0.48 -0.05 0.00 5.08 -1.69 -1.21 114.58 118.04 2k0f h GLU 43 Ca 0.15 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2k0f h GLU 43 Cb 0.59 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 43 CO 0.04 0.90 -0.61 1.25 -1.00 0.00 0.00 179.01 179.58 2k0f h LEU 44 N 0.37 0.20 -0.14 1.33 5.85 -1.06 -2.06 115.31 119.80 2k0f h LEU 44 Ca 0.01 -0.12 -0.22 0.00 0.84 0.00 0.00 57.88 58.39 2k0f h LEU 44 Cb 1.07 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2k0f h LEU 44 CO 0.10 0.76 -0.99 1.56 -0.34 0.00 0.00 178.44 179.54 2k0f h GLN 45 N 0.13 0.26 -0.60 1.25 4.20 -1.32 -3.26 115.11 115.77 2k0f h GLN 45 Ca -0.01 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 2k0f h GLN 45 Cb 1.11 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 2k0f h GLN 45 CO 0.09 1.06 0.31 0.22 -0.67 0.00 0.00 178.83 179.84 2k0f h ASP 46 N 0.13 0.74 -0.50 1.46 3.58 -0.61 0.14 116.42 121.36 2k0f h ASP 46 Ca -0.07 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 2k0f h ASP 46 Cb 1.65 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 2k0f h ASP 46 CO 0.16 0.61 -0.06 0.24 -2.88 0.00 0.00 179.24 177.31 2k0f h MET 47 N 0.83 0.96 -0.02 0.28 2.86 -1.48 -2.74 114.93 115.62 2k0f h MET 47 Ca 0.21 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2k0f h MET 47 Cb 0.05 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2k0f h MET 47 CO -0.03 0.98 -0.01 0.82 1.06 0.00 0.00 176.91 179.73 2k0f h ILE 48 N 0.87 1.33 0.00 -1.22 1.08 -1.24 -3.35 117.51 114.98 2k0f h ILE 48 Ca 0.15 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.59 2k0f h ILE 48 Cb 0.59 1.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 2k0f h ILE 48 CO 0.04 0.26 -0.23 -1.13 -0.69 0.00 0.00 178.15 176.40 2k0f h ASN 49 N -0.36 0.00 -0.89 1.72 -1.24 -0.98 -0.24 115.58 113.59 2k0f h ASN 49 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2k0f h ASN 49 Cb 0.42 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 2k0f h ASN 49 CO 0.00 0.23 0.48 -0.08 -1.29 0.00 0.00 177.43 176.77 2k0f h GLU 50 N 0.00 1.25 0.03 6.67 4.57 -1.62 -3.18 114.58 122.31 2k0f h GLU 50 Ca -0.00 -0.16 -0.24 0.00 -1.18 0.00 0.00 59.36 57.78 2k0f h GLU 50 Cb 0.43 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2k0f h GLU 50 CO 0.03 0.93 -1.20 0.28 -1.18 0.00 0.00 179.01 177.87 2k0f h VAL 51 N 1.25 1.50 -1.75 0.32 2.07 -1.24 -3.45 116.25 114.96 2k0f h VAL 51 Ca 0.31 -3.20 -0.62 0.00 0.82 0.00 0.00 66.70 64.01 2k0f h VAL 51 Cb 0.05 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2k0f h VAL 51 CO -0.05 0.88 1.31 -0.67 0.02 0.00 0.00 177.57 179.05 2k0f n ASP 52 N -3.34 3.03 -0.03 0.57 2.03 -0.50 -4.85 116.55 113.47 2k0f n ASP 52 Ca -0.05 0.60 -0.03 0.00 0.52 0.00 0.00 54.79 55.82 2k0f n ASP 52 Cb 0.98 -1.39 -0.04 0.00 -0.72 0.00 0.00 41.12 39.95 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 9.00 1.87 0.11 -1.67 0.00 -1.26 -4.81 120.51 123.76 2k0f n ALA 53 Ca 0.30 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2k0f n ALA 53 Cb 0.32 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 -0.27 0.00 0.00 3.04 -1.96 -3.49 116.42 113.74 2k0f h ASP 54 Ca -0.14 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 54 Cb 1.28 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 2k0f h ASP 54 CO 0.00 -0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.75 2k0f n GLY 55 N 0.38 0.45 0.11 7.15 0.00 -1.26 -5.04 105.19 106.97 2k0f n GLY 55 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.12 0.25 0.00 1.61 7.08 -1.97 -3.48 115.58 119.20 2k0f h ASN 56 Ca 0.00 -0.55 0.00 0.00 -3.08 0.00 0.00 56.30 52.67 2k0f h ASN 56 Cb 0.00 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.17 2k0f h ASN 56 CO 0.00 0.75 0.00 0.61 -2.08 0.00 0.00 177.43 176.71 2k0f n GLY 57 N 0.39 0.78 3.64 9.14 0.00 -1.26 -5.09 105.19 112.79 2k0f n GLY 57 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.13 3.86 -0.52 2.61 -4.23 -1.26 -4.83 115.64 109.14 2k0f s THR 58 Ca 0.00 -0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 59.44 2k0f s THR 58 Cb 0.00 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.13 2k0f s THR 58 CO 0.00 0.32 1.28 -0.51 -0.54 0.00 0.00 174.62 175.17 2k0f s ILE 59 N -1.09 3.98 0.96 2.99 2.07 -0.84 -4.81 121.20 124.46 2k0f s ILE 59 Ca 0.20 0.92 -0.13 0.00 -1.41 0.00 0.00 60.65 60.23 2k0f s ILE 59 Cb -0.11 -4.53 0.17 0.00 0.13 0.00 0.00 42.46 38.11 2k0f s ILE 59 CO 0.11 -1.12 1.13 -1.81 -1.91 0.00 0.00 174.94 171.33 2k0f s ASP 60 N 3.41 3.03 0.10 4.50 1.11 -1.26 -1.50 116.67 126.06 2k0f s ASP 60 Ca 0.50 0.99 -0.17 0.00 0.18 0.00 0.00 52.55 54.05 2k0f s ASP 60 Cb -0.09 -1.57 -0.07 0.00 1.07 0.00 0.00 42.92 42.26 2k0f s ASP 60 CO 0.28 -2.85 1.51 0.15 1.18 0.00 0.00 175.17 175.44 2k0f h PHE 61 N -1.71 0.61 0.00 4.23 3.57 -1.90 0.05 116.94 121.80 2k0f h PHE 61 Ca -0.52 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 60.86 2k0f h PHE 61 Cb 1.33 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2k0f h PHE 61 CO 0.13 0.71 0.00 -2.30 -2.23 0.00 0.00 178.31 174.63 2k0f n PRO 62 N -4.53 0.21 -0.09 6.41 -0.02 -1.26 -1.60 135.00 134.12 2k0f n PRO 62 Ca -0.03 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 2k0f n PRO 62 Cb 0.29 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 0.64 -0.96 -0.52 5.08 -1.85 -0.97 114.58 116.00 2k0f h GLU 63 Ca 0.00 -0.32 0.21 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 63 Cb 0.61 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 63 CO 0.00 0.92 0.54 0.35 -1.00 0.00 0.00 179.01 179.81 2k0f h PHE 64 N 0.37 0.92 -0.57 4.33 3.57 -0.97 -1.85 116.94 122.75 2k0f h PHE 64 Ca 0.05 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 64 Cb 0.78 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2k0f h PHE 64 CO 0.07 0.12 0.14 -0.07 -2.23 0.00 0.00 178.31 176.34 2k0f h LEU 65 N 0.62 0.81 -1.01 0.59 3.38 -1.17 -1.58 115.31 116.95 2k0f h LEU 65 Ca 0.58 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 2k0f h LEU 65 Cb 0.99 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2k0f h LEU 65 CO -0.44 0.79 -0.10 0.74 0.09 0.00 0.00 178.44 179.53 2k0f h THR 66 N 0.84 1.24 0.23 0.22 2.02 -0.65 -0.73 112.91 116.07 2k0f h THR 66 Ca 0.18 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2k0f h THR 66 Cb 0.30 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2k0f h THR 66 CO -0.00 0.35 -0.11 -0.03 0.37 0.00 0.00 175.52 176.10 2k0f h MET 67 N 0.55 -0.29 0.03 6.66 1.85 -1.05 -3.28 114.93 119.38 2k0f h MET 67 Ca 0.10 0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 59.07 2k0f h MET 67 Cb 0.50 0.07 0.01 0.00 0.43 0.00 0.00 31.60 32.61 2k0f h MET 67 CO 0.03 0.06 -0.56 0.52 -0.40 0.00 0.00 176.91 176.56 2k0f h MET 68 N -0.71 0.33 0.00 0.39 2.07 -1.22 -3.35 114.93 112.44 2k0f h MET 68 Ca -0.03 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.21 2k0f h MET 68 Cb 0.49 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2k0f h MET 68 CO 0.05 1.09 0.00 0.00 1.07 0.00 0.00 176.91 179.12 2k0f n ALA 69 N -2.59 1.81 -2.03 6.32 0.00 -0.29 -4.77 120.51 118.95 2k0f n ALA 69 Ca -0.11 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 2k0f n ALA 69 Cb 0.67 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.62 4.74 0.16 0.00 3.52 -1.24 -5.04 118.95 118.48 2k0f s ARG 70 Ca 0.13 1.41 -0.30 0.00 -0.13 0.00 0.00 55.73 56.84 2k0f s ARG 70 Cb 0.10 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 30.09 2k0f s ARG 70 CO 0.23 0.38 1.04 0.15 -0.81 0.00 0.00 175.30 176.29 2k0f s LYS 71 N -0.61 4.65 0.53 5.12 -0.14 -1.26 -5.04 119.74 123.00 2k0f s LYS 71 Ca 0.43 1.61 0.04 0.00 -1.36 0.00 0.00 55.97 56.69 2k0f s LYS 71 Cb -0.24 -3.31 0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2k0f s LYS 71 CO 0.30 0.16 0.33 -1.33 -0.76 0.00 0.00 175.35 174.05 2k0f n MET 72 N 2.40 0.71 -2.08 1.68 2.81 -1.26 -5.13 117.12 116.26 2k0f n MET 72 Ca 0.02 -3.41 -0.27 0.00 -1.81 0.00 0.00 57.70 52.23 2k0f n MET 72 Cb 0.47 0.46 0.09 0.00 -0.71 0.00 0.00 33.22 33.53 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N -4.14 1.95 0.44 0.03 1.02 -1.26 -4.94 119.74 112.85 2k0f s LYS 73 Ca 0.25 -0.16 0.25 0.00 0.02 0.00 0.00 55.97 56.32 2k0f s LYS 73 Cb -0.02 -2.06 0.50 0.00 -0.52 0.00 0.00 37.83 35.72 2k0f s LYS 73 CO 0.16 -1.49 1.67 -0.44 -0.92 0.00 0.00 175.35 174.33 2k0f h ASP 74 N -0.86 0.00 0.04 2.83 5.19 -2.00 -2.53 116.42 119.10 2k0f h ASP 74 Ca -0.45 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.99 2k0f h ASP 74 Cb 1.31 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.78 2k0f h ASP 74 CO 0.60 0.00 -0.25 0.71 -3.12 0.00 0.00 179.24 177.17 2k0f h THR 75 N 0.00 0.43 0.00 0.35 1.35 -1.99 -2.56 112.91 110.49 2k0f h THR 75 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k0f h THR 75 Cb 0.92 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2k0f h THR 75 CO 0.00 0.00 -0.54 0.44 -0.25 0.00 0.00 175.52 175.17 2k0f h ASP 76 N -0.42 0.00 1.34 5.36 3.32 -1.87 -0.18 116.42 123.98 2k0f h ASP 76 Ca 0.05 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 2k0f h ASP 76 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2k0f h ASP 76 CO -0.19 0.02 -0.59 0.28 -1.72 0.00 0.00 179.24 177.03 2k0f h SER 77 N 0.00 0.00 0.36 6.45 0.02 -1.50 -1.41 113.55 117.48 2k0f h SER 77 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2k0f h SER 77 Cb 0.94 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.48 2k0f h SER 77 CO 0.00 0.59 -1.57 -0.08 -1.14 0.00 0.00 176.83 174.63 2k0f h GLU 78 N 0.00 0.34 -0.62 3.45 4.57 -1.33 -3.33 114.58 117.66 2k0f h GLU 78 Ca -0.01 -0.58 -0.07 0.00 -1.18 0.00 0.00 59.36 57.53 2k0f h GLU 78 Cb 1.42 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 30.20 2k0f h GLU 78 CO 0.08 1.23 0.12 1.49 -1.18 0.00 0.00 179.01 180.75 2k0f h GLU 79 N 0.09 0.99 -0.47 1.92 4.81 -1.02 -2.66 114.58 118.23 2k0f h GLU 79 Ca -0.27 -0.24 0.09 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 79 Cb 2.06 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 31.21 2k0f h GLU 79 CO 0.19 0.90 -0.30 1.49 -0.73 0.00 0.00 179.01 180.55 2k0f h GLU 80 N 0.94 -0.19 -0.24 1.92 4.81 -1.42 0.48 114.58 120.88 2k0f h GLU 80 Ca 0.19 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2k0f h GLU 80 Cb 0.37 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2k0f h GLU 80 CO 0.01 -0.12 0.03 0.82 -0.73 0.00 0.00 179.01 179.01 2k0f h ILE 81 N -0.19 1.24 -0.90 2.32 2.04 -1.66 0.55 117.51 120.90 2k0f h ILE 81 Ca 0.20 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.33 2k0f h ILE 81 Cb 0.53 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2k0f h ILE 81 CO -0.58 0.25 0.56 0.03 0.00 0.00 0.00 178.15 178.41 2k0f h ARG 82 N 0.20 0.99 -0.20 2.37 3.08 -1.09 0.29 114.38 120.01 2k0f h ARG 82 Ca 0.07 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 2k0f h ARG 82 Cb 0.35 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2k0f h ARG 82 CO 0.01 0.65 -0.58 0.93 -1.07 0.00 0.00 179.97 179.91 2k0f h GLU 83 N 1.02 0.63 0.00 0.04 4.39 -0.84 -3.25 114.58 116.57 2k0f h GLU 83 Ca 0.40 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 83 Cb 0.19 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k0f h GLU 83 CO -0.18 1.03 -0.25 0.00 -1.16 0.00 0.00 179.01 178.45 2k0f h ALA 84 N 0.88 1.39 -0.53 3.43 0.00 -0.60 -2.52 119.26 121.31 2k0f h ALA 84 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 84 Cb 1.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 84 CO 0.11 0.31 0.26 0.35 0.00 0.00 0.00 179.25 180.28 2k0f h PHE 85 N 0.00 0.73 -0.01 0.00 3.57 -0.98 -2.40 116.94 117.85 2k0f h PHE 85 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 85 Cb 0.50 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2k0f h PHE 85 CO 0.00 0.54 -0.03 -2.13 -2.23 0.00 0.00 178.31 174.45 2k0f n ARG 86 N -4.38 1.21 0.03 1.11 0.63 -0.95 -0.69 116.66 113.63 2k0f n ARG 86 Ca 0.05 -0.48 -0.17 0.00 -0.92 0.00 0.00 57.85 56.32 2k0f n ARG 86 Cb 0.12 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.40 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 1.18 0.96 0.00 5.15 2.07 -1.43 -3.40 116.25 120.77 2k0f h VAL 87 Ca 0.00 -2.65 -0.14 0.00 0.82 0.00 0.00 66.70 64.73 2k0f h VAL 87 Cb 0.31 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2k0f h VAL 87 CO 0.00 0.78 -0.76 -0.26 0.02 0.00 0.00 177.57 177.35 2k0f h PHE 88 N 0.06 0.00 -2.96 1.57 0.04 -1.24 -3.43 116.94 110.97 2k0f h PHE 88 Ca -0.30 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.94 2k0f h PHE 88 Cb 2.03 0.00 0.02 0.00 2.20 0.00 0.00 35.95 40.20 2k0f h PHE 88 CO 0.06 1.29 0.76 0.34 -0.60 0.00 0.00 178.31 180.16 2k0f s ASP 89 N -6.60 6.81 -0.23 2.17 2.15 0.13 -4.45 116.67 116.64 2k0f s ASP 89 Ca -0.25 2.32 -0.06 0.00 0.43 0.00 0.00 52.55 54.99 2k0f s ASP 89 Cb 0.02 -2.58 -0.18 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 89 CO 0.62 -0.68 -0.11 0.29 -0.17 0.00 0.00 175.17 175.12 2k0f n LYS 90 N 4.23 0.65 -0.02 4.34 4.76 -1.26 -4.60 118.16 126.26 2k0f n LYS 90 Ca 0.12 0.24 -0.16 0.00 -2.87 0.00 0.00 58.31 55.64 2k0f n LYS 90 Cb 0.42 -1.57 -0.12 0.00 -1.84 0.00 0.00 35.03 31.93 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2k0f h ASP 91 N -0.33 0.30 0.00 4.39 3.04 -1.94 -3.47 116.42 118.41 2k0f h ASP 91 Ca -0.56 -0.80 0.00 0.00 -3.24 0.00 0.00 57.03 52.43 2k0f h ASP 91 Cb 1.80 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.99 2k0f h ASP 91 CO -0.15 1.07 0.00 0.61 -2.04 0.00 0.00 179.24 178.72 2k0f n GLY 92 N 1.14 -0.32 0.15 7.15 0.00 -1.26 -5.07 105.19 106.99 2k0f n GLY 92 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.28 0.00 0.61 0.07 0.00 0.00 177.43 178.39 2k0f n GLY 94 N 1.21 0.62 3.17 9.14 0.00 -1.26 -5.02 105.19 113.05 2k0f n GLY 94 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 2.28 -0.04 1.61 2.02 -1.26 -4.25 117.35 115.71 2k0f s TYR 95 Ca 0.00 -0.93 -0.19 0.00 -0.37 0.00 0.00 57.07 55.58 2k0f s TYR 95 Cb 0.00 -1.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2k0f s TYR 95 CO 0.00 -0.39 0.55 0.42 -1.57 0.00 0.00 175.55 174.56 2k0f s ILE 96 N 0.45 5.01 0.29 2.71 1.01 -0.48 -4.87 121.20 125.32 2k0f s ILE 96 Ca -0.17 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.61 2k0f s ILE 96 Cb -0.17 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.41 2k0f s ILE 96 CO 0.07 0.40 0.00 -0.24 0.00 0.00 0.00 174.94 175.17 2k0f n SER 97 N 2.97 2.74 -0.11 3.58 2.88 -1.26 -2.36 113.62 122.06 2k0f n SER 97 Ca -0.07 -2.29 -0.13 0.00 -1.33 0.00 0.00 58.87 55.06 2k0f n SER 97 Cb 0.51 0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 64.19 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k0f h ALA 98 N 1.16 0.60 -0.64 -1.46 0.00 -1.94 -2.47 119.26 114.51 2k0f h ALA 98 Ca -0.24 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 98 Cb 0.74 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 98 CO 0.40 0.68 0.14 0.00 0.00 0.00 0.00 179.25 180.46 2k0f h ALA 99 N 0.81 0.85 -0.20 0.00 0.00 -2.00 -3.20 119.26 115.51 2k0f h ALA 99 Ca 0.06 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 99 Cb 0.98 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k0f h ALA 99 CO 0.09 0.59 -0.62 0.93 0.00 0.00 0.00 179.25 180.24 2k0f h GLU 100 N 0.96 0.70 -0.05 0.00 5.08 -1.83 -2.43 114.58 117.02 2k0f h GLU 100 Ca 0.20 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 100 Cb 0.39 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 100 CO 0.01 1.11 0.07 1.25 -1.00 0.00 0.00 179.01 180.44 2k0f h LEU 101 N 0.52 0.00 0.00 1.33 5.85 -1.51 -0.96 115.31 120.54 2k0f h LEU 101 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 101 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2k0f h LEU 101 CO 0.13 0.00 -0.52 -1.14 -0.34 0.00 0.00 178.44 176.57 2k0f n ARG 102 N -3.65 0.08 -0.05 1.25 0.63 -0.92 -3.56 116.66 110.45 2k0f n ARG 102 Ca -0.02 0.02 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k0f n ARG 102 Cb 0.15 -1.55 -0.00 0.00 0.45 0.00 0.00 32.46 31.51 2k0f n ARG 102 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2k0f h HIS 103 N 0.00 0.00 0.04 -0.14 2.76 -1.14 -2.00 115.15 114.68 2k0f h HIS 103 Ca 0.00 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2k0f h HIS 103 Cb 0.57 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.48 2k0f h HIS 103 CO 0.00 0.00 -0.53 -0.24 -1.30 0.00 0.00 177.93 175.86 2k0f h VAL 104 N -0.89 0.00 0.00 5.26 3.04 -1.76 -2.73 116.25 119.17 2k0f h VAL 104 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k0f h VAL 104 Cb 0.03 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.31 2k0f h VAL 104 CO 0.00 0.00 -0.01 0.24 -1.01 0.00 0.00 177.57 176.79 2k0f h MET 105 N -0.69 0.00 0.24 4.17 2.07 -1.68 -1.13 114.93 117.91 2k0f h MET 105 Ca 0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2k0f h MET 105 Cb 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.46 2k0f h MET 105 CO -0.33 0.01 -0.12 1.15 1.07 0.00 0.00 176.91 178.70 2k0f h THR 106 N 0.00 0.82 -0.49 2.22 2.02 -1.24 0.21 112.91 116.45 2k0f h THR 106 Ca -0.00 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 2k0f h THR 106 Cb 0.05 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2k0f h THR 106 CO 0.00 0.09 -0.19 0.78 0.37 0.00 0.00 175.52 176.56 2k0f h ASN 107 N -0.53 1.00 0.34 4.18 2.35 -1.05 -3.05 115.58 118.83 2k0f h ASN 107 Ca -0.03 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 2k0f h ASN 107 Cb 0.39 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2k0f h ASN 107 CO 0.05 1.16 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.76 2k0f h LEU 108 N 0.85 -0.39 0.00 1.61 3.38 -1.34 -3.46 115.31 115.95 2k0f h LEU 108 Ca 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 108 Cb 0.76 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2k0f h LEU 108 CO 0.06 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.10 2k0f n GLY 109 N -0.65 0.00 3.87 0.83 0.00 -1.02 -4.87 105.19 103.35 2k0f n GLY 109 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 3.81 -0.69 1.61 0.41 0.70 -5.01 118.70 119.54 2k0f s GLU 110 Ca 0.00 0.27 -0.10 0.00 -0.41 0.00 0.00 54.97 54.73 2k0f s GLU 110 Cb 0.00 -2.76 0.18 0.00 -1.78 0.00 0.00 34.13 29.77 2k0f s GLU 110 CO 0.00 0.39 0.58 0.15 -0.49 0.00 0.00 175.26 175.89 2k0f s LYS 111 N -2.54 3.05 0.49 1.61 -0.14 -1.26 -4.36 119.74 116.59 2k0f s LYS 111 Ca 0.43 -2.34 -0.12 0.00 -1.36 0.00 0.00 55.97 52.58 2k0f s LYS 111 Cb -0.12 -4.11 -0.06 0.00 -1.68 0.00 0.00 37.83 31.86 2k0f s LYS 111 CO 0.21 -1.24 0.90 -0.51 -0.76 0.00 0.00 175.35 173.95 2k0f s LEU 112 N 0.34 3.64 0.41 3.17 1.43 -1.26 -5.10 118.68 121.31 2k0f s LEU 112 Ca 0.15 1.33 0.07 0.00 -1.03 0.00 0.00 54.13 54.65 2k0f s LEU 112 Cb -0.17 -4.27 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 2k0f s LEU 112 CO -0.05 -0.56 0.04 0.42 0.23 0.00 0.00 176.35 176.43 2k0f s THR 113 N -2.63 2.04 -0.32 5.49 -4.23 -1.26 -5.04 115.64 109.69 2k0f s THR 113 Ca 0.54 -1.94 0.21 0.00 -1.18 0.00 0.00 61.69 59.32 2k0f s THR 113 Cb -0.10 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.94 2k0f s THR 113 CO 0.36 0.00 1.42 0.44 -0.54 0.00 0.00 174.62 176.30 2k0f h ASP 114 N 1.70 0.00 -0.12 3.99 5.19 -1.99 -3.03 116.42 122.16 2k0f h ASP 114 Ca -0.44 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.02 2k0f h ASP 114 Cb 1.24 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.69 2k0f h ASP 114 CO 0.79 0.14 -0.29 -0.08 -3.12 0.00 0.00 179.24 176.68 2k0f h GLU 115 N 0.00 -0.35 -0.04 3.56 4.81 -2.00 -2.45 114.58 118.11 2k0f h GLU 115 Ca -0.01 0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 115 Cb 1.12 0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2k0f h GLU 115 CO 0.02 -0.24 -0.93 0.93 -0.73 0.00 0.00 179.01 178.06 2k0f h GLU 116 N -0.37 0.58 -0.20 1.92 5.08 -1.98 -3.16 114.58 116.45 2k0f h GLU 116 Ca 0.10 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 116 Cb 0.51 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2k0f h GLU 116 CO -0.33 1.20 0.11 0.28 -1.00 0.00 0.00 179.01 179.27 2k0f h VAL 117 N 0.35 1.11 -0.39 3.13 2.07 -1.41 -1.06 116.25 120.04 2k0f h VAL 117 Ca -0.09 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2k0f h VAL 117 Cb 1.56 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2k0f h VAL 117 CO 0.17 0.10 0.11 -0.78 0.02 0.00 0.00 177.57 177.19 2k0f h ASP 118 N 0.23 0.58 -0.46 0.57 3.58 -1.59 -3.00 116.42 116.33 2k0f h ASP 118 Ca 0.07 -0.22 0.09 0.00 0.42 0.00 0.00 57.03 57.39 2k0f h ASP 118 Cb 0.06 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 40.88 2k0f h ASP 118 CO -0.01 0.65 0.01 -0.08 -2.88 0.00 0.00 179.24 176.93 2k0f h GLU 119 N 0.49 0.12 -0.43 0.28 4.81 -1.50 -2.05 114.58 116.30 2k0f h GLU 119 Ca 0.12 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 119 Cb 0.29 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 119 CO -0.00 0.08 0.07 0.52 -0.73 0.00 0.00 179.01 178.95 2k0f h MET 120 N 0.13 0.71 -0.19 1.92 2.86 -1.22 -2.18 114.93 116.96 2k0f h MET 120 Ca 0.23 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 120 Cb 0.34 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2k0f h MET 120 CO -0.37 0.74 -0.24 0.82 1.06 0.00 0.00 176.91 178.92 2k0f h ILE 121 N 0.57 1.25 -0.41 -1.22 1.08 -1.23 -1.14 117.51 116.41 2k0f h ILE 121 Ca 0.13 -1.17 -0.07 0.00 -0.39 0.00 0.00 64.86 63.36 2k0f h ILE 121 Cb 0.37 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 2k0f h ILE 121 CO 0.01 0.36 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.71 2k0f h ARG 122 N 0.32 0.67 0.17 2.37 2.43 -1.35 0.05 114.38 119.04 2k0f h ARG 122 Ca 0.05 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 122 Cb 0.60 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k0f h ARG 122 CO 0.04 0.71 -0.10 1.49 -1.51 0.00 0.00 179.97 180.61 2k0f h GLU 123 N 0.63 -0.25 -0.74 0.20 4.81 -0.96 -3.31 114.58 114.95 2k0f h GLU 123 Ca 0.12 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 123 Cb 0.45 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 123 CO 0.02 -0.17 0.49 0.00 -0.73 0.00 0.00 179.01 178.62 2k0f h ALA 124 N 0.57 0.95 -2.22 2.92 0.00 -0.58 -3.43 119.26 117.48 2k0f h ALA 124 Ca -0.02 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 124 Cb 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2k0f h ALA 124 CO 0.03 0.33 0.72 0.34 0.00 0.00 0.00 179.25 180.66 2k0f s ASP 125 N -5.84 7.09 -0.21 0.00 2.15 -0.06 -4.81 116.67 115.00 2k0f s ASP 125 Ca -0.13 1.63 -0.16 0.00 0.43 0.00 0.00 52.55 54.32 2k0f s ASP 125 Cb 0.15 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 40.14 2k0f s ASP 125 CO 0.78 -0.59 -0.34 -0.38 -0.17 0.00 0.00 175.17 174.46 2k0f n ILE 126 N 4.87 1.49 -0.13 4.11 2.08 -1.26 -4.75 119.36 125.76 2k0f n ILE 126 Ca 0.11 -0.03 -0.06 0.00 0.56 0.00 0.00 62.75 63.33 2k0f n ILE 126 Cb 0.47 -2.17 0.01 0.00 -0.75 0.00 0.00 39.64 37.20 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -0.97 -0.86 0.00 4.38 3.04 -1.93 -3.48 116.42 116.61 2k0f h ASP 127 Ca -0.24 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2k0f h ASP 127 Cb 1.19 0.44 0.00 0.00 -1.04 0.00 0.00 39.33 39.92 2k0f h ASP 127 CO -0.14 -0.27 0.00 0.61 -2.04 0.00 0.00 179.24 177.39 2k0f n GLY 128 N -1.41 0.37 0.13 7.15 0.00 -1.26 -5.01 105.19 105.16 2k0f n GLY 128 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 1.61 3.04 -1.96 -3.47 116.42 115.63 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.67 0.00 0.61 -2.04 0.00 0.00 179.24 178.48 2k0f n GLY 130 N 0.42 1.07 3.13 7.15 0.00 -1.26 -5.07 105.19 110.63 2k0f n GLY 130 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.16 0.65 -0.29 1.61 -2.07 -1.26 -4.86 119.66 113.28 2k0f s GLN 131 Ca 0.00 -0.85 -0.03 0.00 -1.82 0.00 0.00 55.36 52.66 2k0f s GLN 131 Cb 0.00 0.25 0.04 0.00 -1.09 0.00 0.00 33.01 32.21 2k0f s GLN 131 CO 0.00 -0.17 -0.00 0.08 -1.32 0.00 0.00 175.29 173.88 2k0f s VAL 132 N -3.04 3.13 0.00 3.63 1.01 -1.00 -4.69 120.40 119.44 2k0f s VAL 132 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2k0f s VAL 132 Cb 0.01 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2k0f s VAL 132 CO -0.07 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.58 2k0f n ASN 133 N 4.68 0.00 -0.11 3.32 0.23 -1.26 -1.38 115.26 120.74 2k0f n ASN 133 Ca -0.14 -0.85 -0.13 0.00 -0.53 0.00 0.00 54.58 52.92 2k0f n ASN 133 Cb 0.45 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.12 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 -0.43 0.99 -0.86 -2.53 3.20 -1.99 -0.89 116.97 114.46 2k0f h TYR 134 Ca 0.00 -0.30 0.13 0.00 3.14 0.00 0.00 58.73 61.69 2k0f h TYR 134 Cb 0.00 -0.21 -0.09 0.00 1.54 0.00 0.00 36.73 37.98 2k0f h TYR 134 CO 0.00 1.09 0.47 1.49 -1.64 0.00 0.00 178.16 179.58 2k0f h GLU 135 N 0.61 0.70 -0.03 1.82 4.57 -1.97 0.38 114.58 120.68 2k0f h GLU 135 Ca 0.05 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.01 2k0f h GLU 135 Cb 0.93 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2k0f h GLU 135 CO 0.08 0.47 -0.77 0.93 -1.18 0.00 0.00 179.01 178.54 2k0f h GLU 136 N 0.73 0.21 -0.20 1.92 5.08 -1.86 -1.17 114.58 119.28 2k0f h GLU 136 Ca 0.44 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 136 Cb 0.53 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k0f h GLU 136 CO -0.31 0.88 -0.44 0.35 -1.00 0.00 0.00 179.01 178.49 2k0f h PHE 137 N 0.13 0.84 -0.44 4.33 3.57 -0.14 -2.95 116.94 122.29 2k0f h PHE 137 Ca -0.03 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 2k0f h PHE 137 Cb 1.35 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2k0f h PHE 137 CO 0.03 1.08 0.20 0.28 -2.23 0.00 0.00 178.31 177.67 2k0f h VAL 138 N 0.35 1.19 0.00 1.41 2.07 -0.29 -2.62 116.25 118.35 2k0f h VAL 138 Ca 0.00 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2k0f h VAL 138 Cb 1.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2k0f h VAL 138 CO 0.10 0.21 -0.27 -0.61 0.02 0.00 0.00 177.57 177.01 2k0f h GLN 139 N 0.57 0.00 -0.01 1.57 5.75 -1.20 -0.99 115.11 120.80 2k0f h GLN 139 Ca 0.15 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.46 2k0f h GLN 139 Cb 0.13 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2k0f h GLN 139 CO -0.02 0.27 -0.83 1.98 -2.65 0.00 0.00 178.83 177.58 2k0f h MET 140 N 0.00 0.18 0.18 1.69 4.05 -1.37 -3.32 114.93 116.34 2k0f h MET 140 Ca -0.00 -0.18 -0.32 0.00 -0.28 0.00 0.00 59.70 58.92 2k0f h MET 140 Cb 0.58 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2k0f h MET 140 CO 0.04 0.91 -1.48 0.52 0.23 0.00 0.00 176.91 177.13 2k0f h MET 141 N 0.10 0.37 -0.02 0.39 2.86 -1.08 -3.51 114.93 114.05 2k0f h MET 141 Ca -0.04 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 2k0f h MET 141 Cb 1.44 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.34 2k0f h MET 141 CO 0.13 1.28 0.00 0.25 1.06 0.00 0.00 176.91 179.62