#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 0.79 -0.59 -0.78 3.07 -2.05 -2.50 114.58 112.51 2k0f h GLU 2 Ca 0.00 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.85 2k0f h GLU 2 Cb 0.00 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 2k0f h GLU 2 CO 0.00 0.52 0.39 1.49 -1.40 0.00 0.00 179.01 180.02 2k0f h GLU 3 N 0.82 0.64 -0.62 2.33 4.57 -2.05 -1.87 114.58 118.39 2k0f h GLU 3 Ca 0.48 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.60 2k0f h GLU 3 Cb 0.65 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2k0f h GLU 3 CO -0.24 0.42 0.30 0.37 -1.18 0.00 0.00 179.01 178.67 2k0f h GLN 4 N 0.65 0.90 -0.16 1.92 4.15 -1.87 0.04 115.11 120.73 2k0f h GLN 4 Ca 0.24 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.32 2k0f h GLN 4 Cb 0.15 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.69 2k0f h GLN 4 CO -0.07 0.72 -0.73 0.82 -1.93 0.00 0.00 178.83 177.65 2k0f h ILE 5 N 0.85 1.30 -0.60 2.39 1.08 -1.43 0.18 117.51 121.27 2k0f h ILE 5 Ca 0.21 -1.96 0.05 0.00 -0.39 0.00 0.00 64.86 62.77 2k0f h ILE 5 Cb 0.12 1.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 2k0f h ILE 5 CO -0.03 0.62 0.40 0.00 -0.69 0.00 0.00 178.15 178.45 2k0f h ALA 6 N 0.66 1.75 -0.06 1.87 0.00 -1.36 -0.83 119.26 121.30 2k0f h ALA 6 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 6 Cb 1.34 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 6 CO 0.15 0.17 -0.08 1.49 0.00 0.00 0.00 179.25 180.97 2k0f h GLU 7 N 0.64 0.16 -0.60 0.00 4.57 0.10 -0.87 114.58 118.57 2k0f h GLU 7 Ca 0.25 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2k0f h GLU 7 Cb 0.19 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2k0f h GLU 7 CO -0.07 0.65 0.20 0.74 -1.18 0.00 0.00 179.01 179.35 2k0f h PHE 8 N -0.32 0.92 -0.62 0.92 0.04 -0.66 -1.56 116.94 115.66 2k0f h PHE 8 Ca 0.01 -0.07 0.12 0.00 2.80 0.00 0.00 57.97 60.83 2k0f h PHE 8 Cb 0.63 -0.28 -0.09 0.00 2.20 0.00 0.00 35.95 38.41 2k0f h PHE 8 CO 0.10 0.73 0.14 -0.22 -0.60 0.00 0.00 178.31 178.46 2k0f h LYS 9 N 0.88 0.26 -0.57 1.51 1.63 -1.00 0.13 116.57 119.40 2k0f h LYS 9 Ca 0.20 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 2k0f h LYS 9 Cb 0.23 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 2k0f h LYS 9 CO -0.01 0.17 0.25 1.49 -3.45 0.00 0.00 179.45 177.90 2k0f h GLU 10 N 0.27 0.46 -0.14 1.90 4.57 -0.35 -0.98 114.58 120.30 2k0f h GLU 10 Ca 0.33 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.26 2k0f h GLU 10 Cb 0.50 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2k0f h GLU 10 CO -0.42 0.30 -0.80 0.00 -1.18 0.00 0.00 179.01 176.92 2k0f h ALA 11 N 1.35 0.28 -0.32 2.92 0.00 -0.84 -2.94 119.26 119.71 2k0f h ALA 11 Ca 0.27 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 11 Cb 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 11 CO -0.23 0.68 -0.09 0.35 0.00 0.00 0.00 179.25 179.96 2k0f h PHE 12 N 0.52 -0.19 0.00 0.00 3.57 -0.71 -2.40 116.94 117.73 2k0f h PHE 12 Ca -0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 12 Cb 1.43 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2k0f h PHE 12 CO 0.09 -0.15 0.00 0.43 -2.23 0.00 0.00 178.31 176.45 2k0f n SER 13 N -5.27 0.00 0.02 0.41 7.64 -0.40 -1.63 113.62 114.40 2k0f n SER 13 Ca 0.00 0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 2k0f n SER 13 Cb 0.19 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.00 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.47 0.00 -3.43 5.85 -1.25 -3.40 115.31 113.55 2k0f h LEU 14 Ca 0.00 -0.94 -0.09 0.00 0.84 0.00 0.00 57.88 57.68 2k0f h LEU 14 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2k0f h LEU 14 CO 0.00 1.83 -0.99 -0.26 -0.34 0.00 0.00 178.44 178.68 2k0f h PHE 15 N 0.05 0.00 -3.00 1.25 0.04 -1.18 -3.43 116.94 110.68 2k0f h PHE 15 Ca -0.40 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.80 2k0f h PHE 15 Cb 2.03 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 40.13 2k0f h PHE 15 CO 0.09 0.34 0.85 0.34 -0.60 0.00 0.00 178.31 179.33 2k0f s ASP 16 N -5.84 7.02 0.00 2.17 2.15 -0.89 -4.75 116.67 116.54 2k0f s ASP 16 Ca 0.00 1.54 0.23 0.00 0.43 0.00 0.00 52.55 54.76 2k0f s ASP 16 Cb 0.08 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.29 2k0f s ASP 16 CO 0.78 -0.71 1.18 0.29 -0.17 0.00 0.00 175.17 176.53 2k0f n LYS 17 N 6.44 1.23 -0.09 4.34 4.76 -1.26 -4.43 118.16 129.15 2k0f n LYS 17 Ca 0.13 -0.98 -0.19 0.00 -2.87 0.00 0.00 58.31 54.40 2k0f n LYS 17 Cb 0.45 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.10 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -0.03 1.54 0.00 4.39 8.00 -1.26 -5.04 116.55 124.15 2k0f n ASP 18 Ca 0.10 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2k0f n ASP 18 Cb 0.46 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.74 0.42 0.00 0.44 0.00 -1.26 -5.11 105.19 101.42 2k0f n GLY 19 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 0.00 1.61 5.68 -1.26 -5.05 116.55 117.53 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 4.44 0.00 3.00 6.12 0.00 -1.26 -5.12 105.19 112.38 2k0f n GLY 21 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.12 -0.22 2.61 -4.23 -1.26 -4.36 115.64 108.30 2k0f s THR 22 Ca 0.00 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2k0f s THR 22 Cb 0.00 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.43 2k0f s THR 22 CO 0.00 -0.55 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.84 2k0f s ILE 23 N -1.73 3.15 0.43 2.99 1.01 -1.15 -4.80 121.20 121.10 2k0f s ILE 23 Ca -0.13 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2k0f s ILE 23 Cb -0.08 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.96 2k0f s ILE 23 CO -0.02 0.41 0.57 0.42 0.00 0.00 0.00 174.94 176.32 2k0f s THR 24 N 1.44 2.90 0.26 2.92 -4.23 -1.26 -3.17 115.64 114.49 2k0f s THR 24 Ca 0.05 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.50 2k0f s THR 24 Cb -0.14 -2.93 0.24 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 24 CO -0.05 0.00 1.72 0.74 -0.54 0.00 0.00 174.62 176.49 2k0f h THR 25 N 0.65 0.60 0.00 3.99 2.02 -1.89 -0.23 112.91 118.06 2k0f h THR 25 Ca -0.39 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 2k0f h THR 25 Cb 1.28 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2k0f h THR 25 CO 0.46 0.08 -0.25 0.07 0.37 0.00 0.00 175.52 176.25 2k0f h LYS 26 N 0.44 0.00 -0.04 6.66 -0.00 -1.96 0.21 116.57 121.87 2k0f h LYS 26 Ca 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.94 2k0f h LYS 26 Cb 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.99 2k0f h LYS 26 CO -0.44 0.25 -0.61 0.93 -0.00 0.00 0.00 179.45 179.57 2k0f h GLU 27 N 0.00 0.49 -1.00 0.07 5.08 -1.71 -0.73 114.58 116.79 2k0f h GLU 27 Ca -0.00 -0.47 0.18 0.00 -1.00 0.00 0.00 59.36 58.07 2k0f h GLU 27 Cb 0.82 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.09 2k0f h GLU 27 CO 0.03 1.11 0.62 -0.07 -1.00 0.00 0.00 179.01 179.70 2k0f h LEU 28 N 0.05 0.78 0.15 1.33 3.38 -0.94 -1.81 115.31 118.25 2k0f h LEU 28 Ca -0.06 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 28 Cb 1.29 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2k0f h LEU 28 CO 0.12 0.30 -0.36 1.23 0.09 0.00 0.00 178.44 179.83 2k0f h GLY 29 N 0.77 -0.72 0.18 0.83 0.00 -0.30 -2.29 103.07 101.55 2k0f h GLY 29 Ca 0.56 0.42 0.10 0.00 0.00 0.00 0.00 47.33 48.41 2k0f h GLY 29 CO -0.34 -0.26 0.02 -0.84 0.00 0.00 0.00 176.54 175.12 2k0f h THR 30 N -0.61 0.62 0.06 4.70 2.02 -0.96 0.23 112.91 118.98 2k0f h THR 30 Ca 0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2k0f h THR 30 Cb 0.62 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2k0f h THR 30 CO -0.19 0.03 -0.03 0.58 0.37 0.00 0.00 175.52 176.28 2k0f h VAL 31 N 0.14 1.18 -0.72 3.16 2.07 -1.39 -1.34 116.25 119.36 2k0f h VAL 31 Ca 0.26 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2k0f h VAL 31 Cb 0.39 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2k0f h VAL 31 CO -0.41 0.21 0.32 0.24 0.02 0.00 0.00 177.57 177.96 2k0f h MET 32 N -0.47 1.03 0.00 1.57 2.86 -1.07 -0.93 114.93 117.93 2k0f h MET 32 Ca -0.01 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2k0f h MET 32 Cb 0.41 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2k0f h MET 32 CO 0.01 0.81 -0.34 -0.09 1.06 0.00 0.00 176.91 178.36 2k0f h ARG 33 N 1.02 0.00 0.02 1.72 9.65 -0.27 -1.67 114.38 124.86 2k0f h ARG 33 Ca 0.25 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.86 2k0f h ARG 33 Cb 0.14 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2k0f h ARG 33 CO -0.03 0.34 -1.06 0.77 2.80 0.00 0.00 179.97 182.80 2k0f h SER 34 N 0.00 0.83 0.23 -3.80 0.02 -0.97 -3.28 113.55 106.58 2k0f h SER 34 Ca -0.00 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 2k0f h SER 34 Cb 0.73 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2k0f h SER 34 CO 0.04 1.49 -0.11 -0.07 -1.14 0.00 0.00 176.83 177.04 2k0f h LEU 35 N 0.34 -0.26 0.00 5.07 3.38 -1.05 -3.43 115.31 119.36 2k0f h LEU 35 Ca -0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k0f h LEU 35 Cb 1.71 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2k0f h LEU 35 CO 0.20 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2k0f n GLY 36 N -0.80 0.03 4.03 0.83 0.00 -0.70 -5.01 105.19 103.58 2k0f n GLY 36 Ca -0.09 0.00 -0.21 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 2.23 -0.70 1.61 -1.52 -0.77 -5.03 119.66 115.48 2k0f s GLN 37 Ca 0.00 -1.74 0.04 0.00 -1.95 0.00 0.00 55.36 51.71 2k0f s GLN 37 Cb 0.00 -2.58 0.17 0.00 -0.22 0.00 0.00 33.01 30.38 2k0f s GLN 37 CO 0.00 -0.93 0.49 -0.80 -0.25 0.00 0.00 175.29 173.80 2k0f s ASN 38 N -4.68 4.91 0.51 5.90 0.01 -1.26 -4.61 114.94 115.71 2k0f s ASN 38 Ca 0.60 -3.67 -0.05 0.00 -0.71 0.00 0.00 52.86 49.02 2k0f s ASN 38 Cb -0.05 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.91 2k0f s ASN 38 CO 0.38 -0.13 0.82 -2.16 -1.51 0.00 0.00 177.10 174.50 2k0f s PRO 39 N -1.21 3.38 -0.07 -0.60 0.04 -1.26 -5.06 135.00 130.22 2k0f s PRO 39 Ca 0.24 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2k0f s PRO 39 Cb -0.09 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2k0f s PRO 39 CO -0.13 -0.34 -0.04 0.99 0.04 0.00 0.00 177.00 177.52 2k0f s THR 40 N -2.81 3.93 0.35 1.26 2.01 -1.26 -5.02 115.64 114.10 2k0f s THR 40 Ca 0.49 -0.42 0.18 0.00 0.31 0.00 0.00 61.69 62.25 2k0f s THR 40 Cb -0.10 -2.64 0.17 0.00 0.01 0.00 0.00 72.50 69.94 2k0f s THR 40 CO 0.45 0.58 1.90 -0.08 -0.69 0.00 0.00 174.62 176.78 2k0f h GLU 41 N 5.13 0.00 -0.77 4.92 4.81 -1.99 -0.16 114.58 126.53 2k0f h GLU 41 Ca -0.49 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 41 Cb 1.18 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2k0f h GLU 41 CO 0.53 0.28 0.52 0.00 -0.73 0.00 0.00 179.01 179.61 2k0f h ALA 42 N 1.72 2.27 0.02 2.92 0.00 -1.99 -0.77 119.26 123.43 2k0f h ALA 42 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 42 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 42 CO 0.04 -0.49 -0.01 0.93 0.00 0.00 0.00 179.25 179.71 2k0f h GLU 43 N 0.31 -0.03 0.00 0.00 5.08 -1.45 -3.20 114.58 115.29 2k0f h GLU 43 Ca 0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 43 Cb 1.04 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2k0f h GLU 43 CO -0.10 0.68 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.35 2k0f h LEU 44 N -0.79 0.00 -0.12 1.33 3.38 -1.14 0.17 115.31 118.14 2k0f h LEU 44 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2k0f h LEU 44 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2k0f h LEU 44 CO 0.00 0.16 -0.95 1.56 0.09 0.00 0.00 178.44 179.31 2k0f h GLN 45 N 0.00 0.03 0.06 1.13 1.08 -1.26 -0.96 115.11 115.19 2k0f h GLN 45 Ca -0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2k0f h GLN 45 Cb 0.29 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2k0f h GLN 45 CO 0.02 0.95 -0.03 0.22 -0.95 0.00 0.00 178.83 179.04 2k0f h ASP 46 N 0.01 -0.07 0.10 1.46 3.58 -1.31 -3.28 116.42 116.91 2k0f h ASP 46 Ca -0.02 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.21 2k0f h ASP 46 Cb 1.66 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.70 2k0f h ASP 46 CO 0.13 0.20 -0.24 -0.03 -2.88 0.00 0.00 179.24 176.41 2k0f h MET 47 N -0.34 -0.42 0.00 0.28 4.05 -0.72 -2.67 114.93 115.10 2k0f h MET 47 Ca -0.01 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 2k0f h MET 47 Cb 0.30 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2k0f h MET 47 CO 0.01 -0.28 -0.12 0.97 0.23 0.00 0.00 176.91 177.73 2k0f h ILE 48 N -0.43 0.69 -0.06 1.77 2.10 -1.32 -3.03 117.51 117.23 2k0f h ILE 48 Ca 0.03 -0.49 -0.23 0.00 1.08 0.00 0.00 64.86 65.25 2k0f h ILE 48 Cb 0.46 1.30 0.02 0.00 -1.09 0.00 0.00 36.82 37.51 2k0f h ILE 48 CO -0.14 0.12 -0.88 -1.13 -1.08 0.00 0.00 178.15 175.03 2k0f h ASN 49 N 0.00 0.88 0.16 2.19 -1.24 -1.54 -1.94 115.58 114.08 2k0f h ASN 49 Ca -0.00 -0.70 -0.04 0.00 0.71 0.00 0.00 56.30 56.27 2k0f h ASN 49 Cb 0.29 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2k0f h ASN 49 CO 0.02 1.45 -0.18 -0.08 -1.29 0.00 0.00 177.43 177.34 2k0f h GLU 50 N 0.39 0.05 0.00 6.67 4.57 -1.38 -3.04 114.58 121.84 2k0f h GLU 50 Ca -0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2k0f h GLU 50 Cb 1.53 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2k0f h GLU 50 CO 0.18 0.23 -1.30 1.33 -1.18 0.00 0.00 179.01 178.27 2k0f n VAL 51 N -4.30 0.23 -0.95 0.32 0.24 -1.16 -4.85 118.33 107.85 2k0f n VAL 51 Ca -0.02 -0.39 -0.25 0.00 -2.04 0.00 0.00 64.34 61.64 2k0f n VAL 51 Cb 0.26 0.04 0.21 0.00 -1.47 0.00 0.00 33.84 32.88 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -2.22 -1.95 0.19 -1.34 2.03 -0.74 -4.79 116.55 107.74 2k0f n ASP 52 Ca -0.00 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.25 2k0f n ASP 52 Cb 0.50 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 -4.59 0.00 0.04 -1.67 0.00 -1.26 -4.96 120.51 108.07 2k0f n ALA 53 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 2k0f n ALA 53 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.60 0.00 0.00 3.04 -1.95 -3.47 116.42 112.43 2k0f h ASP 54 Ca 0.00 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.97 2k0f h ASP 54 Cb 0.00 0.61 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 2k0f h ASP 54 CO 0.00 -0.49 0.00 0.61 -2.04 0.00 0.00 179.24 177.32 2k0f n GLY 55 N -1.43 0.50 0.27 7.15 0.00 -1.26 -5.06 105.19 105.35 2k0f n GLY 55 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 1.36 0.00 1.61 6.94 -1.26 -4.95 115.26 118.96 2k0f n ASN 56 Ca 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 2k0f n ASN 56 Cb 0.00 0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.42 0.76 3.18 4.83 0.00 -1.26 -5.06 105.19 109.06 2k0f n GLY 57 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.73 0.81 -0.10 2.61 -4.23 -1.26 -4.66 115.64 106.07 2k0f s THR 58 Ca 0.00 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 2k0f s THR 58 Cb 0.00 -1.56 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 2k0f s THR 58 CO 0.00 -0.75 0.96 -0.51 -0.54 0.00 0.00 174.62 173.78 2k0f s ILE 59 N -3.17 4.82 0.45 2.99 2.07 -1.19 -4.44 121.20 122.74 2k0f s ILE 59 Ca 0.10 1.95 0.08 0.00 -1.41 0.00 0.00 60.65 61.37 2k0f s ILE 59 Cb 0.02 -4.27 0.01 0.00 0.13 0.00 0.00 42.46 38.35 2k0f s ILE 59 CO -0.03 0.04 0.51 -1.81 -1.91 0.00 0.00 174.94 171.74 2k0f s ASP 60 N 1.08 5.25 0.02 4.50 1.11 -1.26 -2.92 116.67 124.45 2k0f s ASP 60 Ca 0.47 -0.68 -0.21 0.00 0.18 0.00 0.00 52.55 52.30 2k0f s ASP 60 Cb -0.18 -0.40 -0.17 0.00 1.07 0.00 0.00 42.92 43.25 2k0f s ASP 60 CO 0.18 -0.83 1.28 0.15 1.18 0.00 0.00 175.17 177.14 2k0f h PHE 61 N 0.74 0.36 0.00 4.23 3.57 -1.98 -0.26 116.94 123.60 2k0f h PHE 61 Ca -0.39 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2k0f h PHE 61 Cb 1.28 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2k0f h PHE 61 CO 0.50 0.76 0.00 -1.00 -2.23 0.00 0.00 178.31 176.34 2k0f h PRO 62 N -0.14 0.00 0.02 6.41 0.13 -1.97 -0.56 132.00 135.88 2k0f h PRO 62 Ca 0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2k0f h PRO 62 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2k0f h PRO 62 CO 0.04 0.00 -0.17 0.93 -0.23 0.00 0.00 178.00 178.57 2k0f h GLU 63 N 0.00 0.08 -0.86 0.86 5.08 -1.81 -1.65 114.58 116.28 2k0f h GLU 63 Ca 0.00 -0.11 0.19 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 63 Cb 0.27 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 63 CO 0.00 0.96 0.57 0.35 -1.00 0.00 0.00 179.01 179.89 2k0f h PHE 64 N -0.74 0.53 0.50 4.33 3.57 -0.80 -2.03 116.94 122.30 2k0f h PHE 64 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 64 Cb 1.04 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 64 CO 0.23 0.16 -0.24 1.25 -2.23 0.00 0.00 178.31 177.48 2k0f h LEU 65 N 0.42 -0.57 -0.82 0.59 6.46 -1.05 -2.67 115.31 117.67 2k0f h LEU 65 Ca 0.44 -0.06 0.20 0.00 -0.12 0.00 0.00 57.88 58.34 2k0f h LEU 65 Cb 1.07 0.15 -0.14 0.00 -0.73 0.00 0.00 40.66 41.01 2k0f h LEU 65 CO -0.16 -0.17 0.12 0.74 -0.62 0.00 0.00 178.44 178.35 2k0f h THR 66 N -1.06 0.33 -0.34 1.05 2.02 -1.29 -1.31 112.91 112.32 2k0f h THR 66 Ca -0.07 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 2k0f h THR 66 Cb 0.59 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2k0f h THR 66 CO 0.11 0.03 -0.08 -0.03 0.37 0.00 0.00 175.52 175.92 2k0f h MET 67 N 0.16 0.65 0.00 6.66 1.85 -1.29 -2.06 114.93 120.90 2k0f h MET 67 Ca 0.48 -0.25 -0.08 0.00 -0.61 0.00 0.00 59.70 59.24 2k0f h MET 67 Cb 0.92 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 2k0f h MET 67 CO -0.66 0.82 -0.40 0.52 -0.40 0.00 0.00 176.91 176.79 2k0f h MET 68 N 0.44 0.00 -0.00 0.39 2.86 -1.31 -3.15 114.93 114.16 2k0f h MET 68 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2k0f h MET 68 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 68 CO 0.03 0.40 -0.15 0.00 1.06 0.00 0.00 176.91 178.26 2k0f n ALA 69 N -2.25 2.75 -2.65 6.32 0.00 -0.51 -4.78 120.51 119.39 2k0f n ALA 69 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2k0f n ALA 69 Cb 0.59 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.80 4.23 0.15 0.00 3.52 -0.79 -5.00 118.95 118.26 2k0f s ARG 70 Ca 0.19 1.06 -0.12 0.00 -0.13 0.00 0.00 55.73 56.74 2k0f s ARG 70 Cb 0.19 -3.63 -0.07 0.00 -1.56 0.00 0.00 34.95 29.89 2k0f s ARG 70 CO 0.55 -0.50 0.51 0.21 -0.81 0.00 0.00 175.30 175.26 2k0f s LYS 71 N 2.75 3.88 0.48 5.12 2.20 -1.26 -5.01 119.74 127.91 2k0f s LYS 71 Ca 0.38 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 56.36 2k0f s LYS 71 Cb -0.16 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.28 2k0f s LYS 71 CO 0.08 0.46 0.06 -1.64 -0.36 0.00 0.00 175.35 173.95 2k0f s MET 72 N -2.18 2.13 1.08 4.03 -1.94 -1.26 -5.15 119.30 116.01 2k0f s MET 72 Ca 0.39 -2.36 -0.17 0.00 -1.71 0.00 0.00 55.69 51.84 2k0f s MET 72 Cb -0.14 -1.11 0.24 0.00 2.01 0.00 0.00 34.83 35.83 2k0f s MET 72 CO 0.20 -0.46 1.19 0.15 -0.01 0.00 0.00 175.02 176.08 2k0f s LYS 73 N -3.80 -0.28 0.02 2.03 1.02 -1.26 -4.79 119.74 112.68 2k0f s LYS 73 Ca 0.10 -0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.67 2k0f s LYS 73 Cb 0.01 -1.71 -0.16 0.00 -0.52 0.00 0.00 37.83 35.44 2k0f s LYS 73 CO 0.07 -3.07 1.25 -0.44 -0.92 0.00 0.00 175.35 172.23 2k0f h ASP 74 N -2.12 -0.64 -0.65 2.83 3.32 -2.01 -1.85 116.42 115.30 2k0f h ASP 74 Ca -0.45 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 56.65 2k0f h ASP 74 Cb 1.28 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.89 2k0f h ASP 74 CO 0.39 -0.29 -0.26 0.35 -1.72 0.00 0.00 179.24 177.70 2k0f n THR 75 N -5.32 -0.35 0.20 0.35 -2.24 -1.26 -2.00 114.28 103.66 2k0f n THR 75 Ca -0.11 1.52 0.04 0.00 -2.27 0.00 0.00 64.05 63.22 2k0f n THR 75 Cb 0.33 -1.99 0.41 0.00 -2.10 0.00 0.00 70.33 66.98 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 0.00 0.00 -0.27 3.42 3.32 -1.89 -2.90 116.42 118.10 2k0f h ASP 76 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2k0f h ASP 76 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2k0f h ASP 76 CO -0.64 0.33 0.14 0.28 -1.72 0.00 0.00 179.24 177.63 2k0f h SER 77 N 0.00 0.34 0.16 6.45 0.02 -0.70 -2.68 113.55 117.14 2k0f h SER 77 Ca -0.00 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 2k0f h SER 77 Cb 0.62 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2k0f h SER 77 CO 0.04 0.35 -0.43 -0.08 -1.14 0.00 0.00 176.83 175.57 2k0f h GLU 78 N 0.31 0.34 -0.31 3.45 4.81 -1.39 -3.25 114.58 118.54 2k0f h GLU 78 Ca 0.09 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 78 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 78 CO -0.01 0.72 0.21 1.49 -0.73 0.00 0.00 179.01 180.68 2k0f h GLU 79 N 0.28 0.39 0.00 1.92 4.81 -1.27 -1.14 114.58 119.56 2k0f h GLU 79 Ca 0.02 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 79 Cb 0.88 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 79 CO 0.07 0.26 -0.39 0.93 -0.73 0.00 0.00 179.01 179.15 2k0f h GLU 80 N 0.40 0.00 0.23 1.92 5.08 -1.57 0.16 114.58 120.80 2k0f h GLU 80 Ca 0.12 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 80 Cb -0.02 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.27 2k0f h GLU 80 CO -0.03 0.39 -1.44 0.82 -1.00 0.00 0.00 179.01 177.76 2k0f h ILE 81 N 0.00 1.33 -0.43 3.13 2.04 -1.46 -2.17 117.51 119.94 2k0f h ILE 81 Ca -0.00 -2.78 0.05 0.00 1.00 0.00 0.00 64.86 63.12 2k0f h ILE 81 Cb 0.78 3.02 -0.08 0.00 -0.74 0.00 0.00 36.82 39.80 2k0f h ILE 81 CO 0.05 0.83 -0.50 -0.09 0.00 0.00 0.00 178.15 178.44 2k0f h ARG 82 N 0.13 -0.30 0.00 2.37 2.43 -0.88 -0.67 114.38 117.46 2k0f h ARG 82 Ca -0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2k0f h ARG 82 Cb 2.13 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.75 2k0f h ARG 82 CO 0.26 -0.20 0.00 0.93 -1.51 0.00 0.00 179.97 179.45 2k0f h GLU 83 N -0.31 0.00 -0.05 0.20 4.39 -0.76 -2.77 114.58 115.27 2k0f h GLU 83 Ca 0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2k0f h GLU 83 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2k0f h GLU 83 CO -0.57 0.00 -0.11 0.00 -1.16 0.00 0.00 179.01 177.17 2k0f h ALA 84 N 2.00 0.08 -0.77 3.43 0.00 -0.52 -3.30 119.26 120.18 2k0f h ALA 84 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 84 Cb 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 84 CO 0.00 -0.05 0.51 0.35 0.00 0.00 0.00 179.25 180.06 2k0f h PHE 85 N -0.36 0.79 -0.51 0.00 3.57 -0.91 0.40 116.94 119.92 2k0f h PHE 85 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 85 Cb 0.70 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2k0f h PHE 85 CO 0.12 0.39 0.26 -0.09 -2.23 0.00 0.00 178.31 176.76 2k0f h ARG 86 N 0.75 0.50 -0.09 1.11 2.43 -1.59 -0.69 114.38 116.79 2k0f h ARG 86 Ca 0.35 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 2k0f h ARG 86 Cb 0.37 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2k0f h ARG 86 CO -0.13 0.33 -0.15 0.28 -1.51 0.00 0.00 179.97 178.79 2k0f h VAL 87 N 0.51 0.61 0.67 0.20 2.07 -1.02 -3.31 116.25 115.99 2k0f h VAL 87 Ca 0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 87 Cb 0.12 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2k0f h VAL 87 CO -0.15 0.00 -0.32 -0.26 0.02 0.00 0.00 177.57 176.86 2k0f h PHE 88 N -0.20 -0.84 -1.53 1.57 0.04 -1.38 -3.42 116.94 111.18 2k0f h PHE 88 Ca 0.08 -0.02 -0.41 0.00 2.80 0.00 0.00 57.97 60.42 2k0f h PHE 88 Cb 0.32 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2k0f h PHE 88 CO -0.25 -0.52 1.20 0.34 -0.60 0.00 0.00 178.31 178.48 2k0f s ASP 89 N -4.44 4.92 0.16 2.17 2.15 -0.27 -4.68 116.67 116.68 2k0f s ASP 89 Ca -0.13 0.31 -0.07 0.00 0.43 0.00 0.00 52.55 53.09 2k0f s ASP 89 Cb 0.01 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 89 CO 0.40 -2.70 1.47 0.50 -0.17 0.00 0.00 175.17 174.67 2k0f h LYS 90 N 15.25 0.72 0.00 4.34 1.63 -1.82 -3.37 116.57 133.32 2k0f h LYS 90 Ca -0.17 -0.44 -0.04 0.00 -0.85 0.00 0.00 60.65 59.15 2k0f h LYS 90 Cb 1.15 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2k0f h LYS 90 CO 1.18 1.06 -0.44 0.38 -3.45 0.00 0.00 179.45 178.19 2k0f h ASP 91 N 0.56 0.00 0.00 4.20 3.04 -1.94 -3.49 116.42 118.79 2k0f h ASP 91 Ca 0.02 -0.20 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 2k0f h ASP 91 Cb 1.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2k0f h ASP 91 CO 0.11 0.84 0.00 0.61 -2.04 0.00 0.00 179.24 178.76 2k0f n GLY 92 N 1.63 -0.17 0.09 7.15 0.00 -1.26 -5.04 105.19 107.60 2k0f n GLY 92 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.25 -0.53 1.61 -1.07 -1.95 -3.48 115.58 110.41 2k0f h ASN 93 Ca 0.00 -0.26 0.00 0.00 0.07 0.00 0.00 56.30 56.11 2k0f h ASN 93 Cb 0.00 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.17 2k0f h ASN 93 CO 0.00 1.18 0.00 0.61 0.07 0.00 0.00 177.43 179.29 2k0f n GLY 94 N 1.36 0.78 3.15 9.14 0.00 -1.26 -5.07 105.19 113.29 2k0f n GLY 94 Ca -0.05 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.13 -1.31 -0.14 1.61 2.02 -1.26 -4.16 117.35 111.98 2k0f s TYR 95 Ca 0.00 0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 57.39 2k0f s TYR 95 Cb 0.00 0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.86 2k0f s TYR 95 CO 0.00 -0.75 1.08 0.42 -1.57 0.00 0.00 175.55 174.73 2k0f s ILE 96 N 2.88 4.59 0.40 2.71 1.01 0.58 -4.71 121.20 128.67 2k0f s ILE 96 Ca 0.15 1.89 0.08 0.00 0.00 0.00 0.00 60.65 62.77 2k0f s ILE 96 Cb -0.09 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 2k0f s ILE 96 CO -0.22 -0.07 0.44 -0.94 0.00 0.00 0.00 174.94 174.15 2k0f s SER 97 N 1.30 5.39 0.26 3.58 1.04 -1.26 -0.88 113.70 123.13 2k0f s SER 97 Ca 0.49 -0.54 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 2k0f s SER 97 Cb -0.19 -0.73 0.39 0.00 0.10 0.00 0.00 66.02 65.60 2k0f s SER 97 CO 0.15 -0.62 1.56 0.00 0.98 0.00 0.00 173.24 175.30 2k0f h ALA 98 N 0.91 0.51 -0.43 5.32 0.00 -1.93 -0.73 119.26 122.91 2k0f h ALA 98 Ca -0.42 0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 98 Cb 1.27 0.82 -0.10 0.00 0.00 0.00 0.00 17.79 19.78 2k0f h ALA 98 CO 0.53 -0.45 -0.33 0.00 0.00 0.00 0.00 179.25 178.99 2k0f h ALA 99 N 1.81 -0.18 -0.42 0.00 0.00 -1.99 -0.84 119.26 117.65 2k0f h ALA 99 Ca 0.44 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.33 2k0f h ALA 99 Cb 0.69 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2k0f h ALA 99 CO -1.01 -0.73 -0.26 0.93 0.00 0.00 0.00 179.25 178.19 2k0f h GLU 100 N -0.24 0.87 -0.28 0.00 5.08 -1.55 -1.89 114.58 116.57 2k0f h GLU 100 Ca 0.18 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 100 Cb 0.54 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 100 CO -0.57 1.03 0.14 1.25 -1.00 0.00 0.00 179.01 179.86 2k0f h LEU 101 N 0.75 0.20 -1.92 1.33 5.85 -1.06 -2.55 115.31 117.91 2k0f h LEU 101 Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 101 Cb 0.81 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 101 CO 0.07 0.15 -0.10 0.03 -0.34 0.00 0.00 178.44 178.25 2k0f h ARG 102 N 0.29 0.00 -0.24 1.25 3.08 -0.86 -2.53 114.38 115.36 2k0f h ARG 102 Ca 0.12 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.98 2k0f h ARG 102 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2k0f h ARG 102 CO -0.09 0.10 -0.59 1.25 -1.07 0.00 0.00 179.97 179.58 2k0f h HIS 103 N 0.00 0.98 -0.06 3.04 2.76 -1.13 0.53 115.15 121.27 2k0f h HIS 103 Ca -0.00 -0.36 -0.15 0.00 -2.20 0.00 0.00 60.37 57.65 2k0f h HIS 103 Cb 0.21 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.00 2k0f h HIS 103 CO 0.00 1.17 -0.55 0.28 -1.30 0.00 0.00 177.93 177.53 2k0f h VAL 104 N 0.58 1.39 -0.81 5.26 2.07 -1.36 -0.20 116.25 123.18 2k0f h VAL 104 Ca 0.00 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.60 2k0f h VAL 104 Cb 1.18 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 2k0f h VAL 104 CO 0.12 0.57 0.53 0.24 0.02 0.00 0.00 177.57 179.06 2k0f h MET 105 N 0.04 1.07 0.04 1.57 2.07 -1.42 -0.71 114.93 117.59 2k0f h MET 105 Ca -0.05 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.51 2k0f h MET 105 Cb 1.22 -0.24 0.00 0.00 -1.87 0.00 0.00 31.60 30.71 2k0f h MET 105 CO 0.11 0.71 -0.02 1.15 1.07 0.00 0.00 176.91 179.93 2k0f h THR 106 N 1.10 1.15 -0.92 2.22 2.02 -0.81 -0.38 112.91 117.28 2k0f h THR 106 Ca 0.30 -0.61 0.27 0.00 0.77 0.00 0.00 66.41 67.14 2k0f h THR 106 Cb -0.13 1.55 -0.15 0.00 -1.74 0.00 0.00 68.15 67.68 2k0f h THR 106 CO -0.06 0.15 0.29 0.78 0.37 0.00 0.00 175.52 177.05 2k0f h ASN 107 N -0.32 0.05 0.28 4.18 4.21 -0.63 -1.63 115.58 121.72 2k0f h ASN 107 Ca -0.01 0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 2k0f h ASN 107 Cb 0.29 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 2k0f h ASN 107 CO 0.01 -0.20 -0.13 -0.07 -1.29 0.00 0.00 177.43 175.75 2k0f h LEU 108 N 0.19 -0.31 0.00 1.61 3.38 -1.20 -3.41 115.31 115.57 2k0f h LEU 108 Ca 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2k0f h LEU 108 Cb 1.32 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2k0f h LEU 108 CO -0.69 0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.62 2k0f n GLY 109 N 0.61 0.75 3.41 0.83 0.00 -0.46 -5.10 105.19 105.23 2k0f n GLY 109 Ca -0.07 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.37 2.60 -1.19 1.61 0.41 -0.28 -5.02 118.70 115.46 2k0f s GLU 110 Ca 0.00 -0.75 -0.06 0.00 -0.41 0.00 0.00 54.97 53.75 2k0f s GLU 110 Cb 0.00 -2.35 0.23 0.00 -1.78 0.00 0.00 34.13 30.23 2k0f s GLU 110 CO 0.00 0.52 1.80 1.63 -0.49 0.00 0.00 175.26 178.71 2k0f n LYS 111 N 2.61 4.24 -2.13 1.61 5.02 -1.26 -4.72 118.16 123.53 2k0f n LYS 111 Ca -0.17 -4.00 -0.28 0.00 -2.02 0.00 0.00 58.31 51.84 2k0f n LYS 111 Cb 0.52 -2.69 0.04 0.00 -0.02 0.00 0.00 35.03 32.88 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -1.76 3.06 0.23 -0.35 1.43 -1.26 -5.10 118.68 114.93 2k0f s LEU 112 Ca 0.38 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.49 2k0f s LEU 112 Cb 0.10 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2k0f s LEU 112 CO 0.02 -1.20 0.17 -0.89 0.23 0.00 0.00 176.35 174.68 2k0f s THR 113 N -3.18 4.40 0.29 5.49 2.01 -1.26 -5.02 115.64 118.37 2k0f s THR 113 Ca 0.56 -1.36 0.14 0.00 0.31 0.00 0.00 61.69 61.34 2k0f s THR 113 Cb -0.11 -3.35 0.07 0.00 0.01 0.00 0.00 72.50 69.13 2k0f s THR 113 CO 0.49 -0.30 1.75 0.44 -0.69 0.00 0.00 174.62 176.30 2k0f h ASP 114 N 1.72 0.00 -0.79 3.53 3.32 -2.00 0.72 116.42 122.92 2k0f h ASP 114 Ca -0.48 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.75 2k0f h ASP 114 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 2k0f h ASP 114 CO 0.61 0.44 0.19 -0.08 -1.72 0.00 0.00 179.24 178.68 2k0f h GLU 115 N 0.00 0.23 -0.07 3.56 4.57 -1.99 -2.62 114.58 118.27 2k0f h GLU 115 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2k0f h GLU 115 Cb 0.84 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2k0f h GLU 115 CO 0.06 0.16 -0.01 0.93 -1.18 0.00 0.00 179.01 178.96 2k0f h GLU 116 N 0.24 0.13 -0.66 1.92 5.08 -1.25 0.11 114.58 120.16 2k0f h GLU 116 Ca 0.46 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.87 2k0f h GLU 116 Cb 0.84 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 116 CO -0.57 0.44 0.28 0.28 -1.00 0.00 0.00 179.01 178.45 2k0f h VAL 117 N -0.19 0.79 -0.17 3.13 2.07 -1.59 -1.07 116.25 119.23 2k0f h VAL 117 Ca 0.02 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2k0f h VAL 117 Cb 0.39 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2k0f h VAL 117 CO 0.01 0.09 0.01 -0.78 0.02 0.00 0.00 177.57 176.91 2k0f h ASP 118 N 0.49 -0.05 -0.06 0.57 3.58 -1.27 -3.11 116.42 116.57 2k0f h ASP 118 Ca 0.33 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.80 2k0f h ASP 118 Cb 0.40 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2k0f h ASP 118 CO -0.30 0.00 -0.00 -0.08 -2.88 0.00 0.00 179.24 175.98 2k0f h GLU 119 N 0.07 0.18 -0.03 0.28 4.81 0.09 -2.07 114.58 117.91 2k0f h GLU 119 Ca 0.08 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 119 Cb 0.09 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 119 CO -0.12 0.21 0.01 0.52 -0.73 0.00 0.00 179.01 178.89 2k0f h MET 120 N 0.18 0.04 -0.16 1.92 2.86 -1.28 -1.11 114.93 117.38 2k0f h MET 120 Ca 0.05 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2k0f h MET 120 Cb 0.13 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2k0f h MET 120 CO 0.00 0.18 -0.04 0.82 1.06 0.00 0.00 176.91 178.93 2k0f h ILE 121 N -0.10 0.84 -0.85 -1.22 1.08 -1.45 -2.78 117.51 113.04 2k0f h ILE 121 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 2k0f h ILE 121 Cb 0.15 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 2k0f h ILE 121 CO -0.00 0.00 0.46 0.03 -0.69 0.00 0.00 178.15 177.95 2k0f h ARG 122 N -0.00 1.18 -0.06 2.37 3.08 -1.22 -2.54 114.38 117.20 2k0f h ARG 122 Ca 0.08 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2k0f h ARG 122 Cb 0.12 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2k0f h ARG 122 CO -0.16 0.87 -0.35 1.49 -1.07 0.00 0.00 179.97 180.74 2k0f h GLU 123 N 1.18 0.11 0.14 0.04 4.81 -1.21 -3.01 114.58 116.64 2k0f h GLU 123 Ca 0.30 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 123 Cb 0.04 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 123 CO -0.05 0.46 -1.28 0.00 -0.73 0.00 0.00 179.01 177.41 2k0f h ALA 124 N 1.55 0.00 -1.36 2.92 0.00 -1.35 -3.42 119.26 117.60 2k0f h ALA 124 Ca 0.01 -0.80 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 2k0f h ALA 124 Cb 0.68 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2k0f h ALA 124 CO 0.05 0.74 1.14 0.34 0.00 0.00 0.00 179.25 181.52 2k0f s ASP 125 N -7.40 5.98 -0.03 0.00 2.15 -0.97 -4.80 116.67 111.60 2k0f s ASP 125 Ca -0.08 -0.36 -0.16 0.00 0.43 0.00 0.00 52.55 52.38 2k0f s ASP 125 Cb 0.06 -2.55 -0.32 0.00 -0.30 0.00 0.00 42.92 39.80 2k0f s ASP 125 CO 0.92 -1.95 0.81 -0.29 -0.17 0.00 0.00 175.17 174.50 2k0f h ILE 126 N 6.28 1.18 0.21 4.11 2.10 -1.82 -3.42 117.51 126.15 2k0f h ILE 126 Ca -0.24 -2.57 -0.01 0.00 1.08 0.00 0.00 64.86 63.12 2k0f h ILE 126 Cb 1.07 2.94 0.00 0.00 -1.09 0.00 0.00 36.82 39.74 2k0f h ILE 126 CO 1.28 0.79 -0.10 -2.24 -1.08 0.00 0.00 178.15 176.80 2k0f h ASP 127 N -0.03 -0.24 0.00 2.19 3.04 -1.96 -3.48 116.42 115.94 2k0f h ASP 127 Ca -0.27 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 2k0f h ASP 127 Cb 2.00 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.35 2k0f h ASP 127 CO 0.19 -0.11 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 2k0f n GLY 128 N -0.10 -0.16 0.10 7.15 0.00 -1.26 -5.04 105.19 105.88 2k0f n GLY 128 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.93 -3.48 116.42 115.66 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 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 178.46 2k0f n GLY 130 N 1.38 0.78 3.38 7.15 0.00 -1.26 -5.07 105.19 111.55 2k0f n GLY 130 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 3.04 -0.42 1.61 -1.52 -1.26 -4.64 119.66 116.04 2k0f s GLN 131 Ca 0.00 -0.72 -0.18 0.00 -1.95 0.00 0.00 55.36 52.51 2k0f s GLN 131 Cb 0.00 -2.50 0.02 0.00 -0.22 0.00 0.00 33.01 30.31 2k0f s GLN 131 CO 0.00 0.34 0.47 0.08 -0.25 0.00 0.00 175.29 175.93 2k0f s VAL 132 N -0.01 5.04 0.00 1.09 1.01 -0.06 -4.76 120.40 122.72 2k0f s VAL 132 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2k0f s VAL 132 Cb -0.14 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2k0f s VAL 132 CO 0.04 -0.45 0.00 -0.46 0.00 0.00 0.00 175.10 174.24 2k0f n ASN 133 N 5.71 -0.24 0.08 3.32 0.23 -1.26 -0.31 115.26 122.80 2k0f n ASN 133 Ca -0.06 -0.75 -0.13 0.00 -0.53 0.00 0.00 54.58 53.10 2k0f n ASN 133 Cb 0.47 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.09 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 -1.01 -0.19 0.00 -2.53 3.20 -1.96 -2.27 116.97 112.21 2k0f h TYR 134 Ca 0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2k0f h TYR 134 Cb 0.00 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2k0f h TYR 134 CO 0.00 0.12 -0.32 0.93 -1.64 0.00 0.00 178.16 177.25 2k0f h GLU 135 N -0.50 0.00 -0.35 1.82 5.08 -1.96 -0.55 114.58 118.12 2k0f h GLU 135 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 135 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 135 CO 0.03 0.32 -0.19 0.93 -1.00 0.00 0.00 179.01 179.10 2k0f h GLU 136 N 0.00 0.65 -0.07 2.33 5.08 -1.86 -2.05 114.58 118.66 2k0f h GLU 136 Ca -0.00 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 136 Cb 0.59 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2k0f h GLU 136 CO 0.04 0.81 -0.60 0.35 -1.00 0.00 0.00 179.01 178.61 2k0f h PHE 137 N 0.58 0.32 0.00 4.33 3.57 -0.75 -2.57 116.94 122.43 2k0f h PHE 137 Ca 0.09 -0.12 -0.20 0.00 3.53 0.00 0.00 57.97 61.26 2k0f h PHE 137 Cb 0.65 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2k0f h PHE 137 CO 0.03 0.79 -0.99 0.28 -2.23 0.00 0.00 178.31 176.19 2k0f h VAL 138 N 0.19 1.61 -0.40 1.41 2.07 -1.03 -2.94 116.25 117.15 2k0f h VAL 138 Ca -0.01 -3.29 -0.08 0.00 0.82 0.00 0.00 66.70 64.14 2k0f h VAL 138 Cb 1.10 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 2k0f h VAL 138 CO 0.09 0.92 -0.09 -0.61 0.02 0.00 0.00 177.57 177.90 2k0f h GLN 139 N 0.00 0.70 0.27 1.57 5.75 -0.95 -0.46 115.11 121.98 2k0f h GLN 139 Ca -0.02 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.25 2k0f h GLN 139 Cb 1.75 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.23 2k0f h GLN 139 CO 0.12 0.78 -0.13 0.52 -2.65 0.00 0.00 178.83 177.47 2k0f h MET 140 N 0.64 -0.35 -0.05 1.69 2.86 -1.57 -3.36 114.93 114.79 2k0f h MET 140 Ca 0.11 0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 140 Cb 0.54 0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.28 2k0f h MET 140 CO 0.03 0.01 -0.90 0.52 1.06 0.00 0.00 176.91 177.63 2k0f h MET 141 N -0.83 0.59 -0.00 1.72 2.86 -1.33 -3.52 114.93 114.43 2k0f h MET 141 Ca -0.04 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 2k0f h MET 141 Cb 0.51 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 141 CO 0.06 1.19 0.00 0.25 1.06 0.00 0.00 176.91 179.47