#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 0.07 -0.61 1.09 4.11 -2.05 -2.45 114.58 114.75 2k0f h GLU 2 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2k0f h GLU 2 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2k0f h GLU 2 CO 0.00 0.26 0.19 0.93 0.07 0.00 0.00 179.01 180.46 2k0f h GLU 3 N 0.07 0.91 0.00 1.06 5.08 -2.05 -1.45 114.58 118.20 2k0f h GLU 3 Ca 0.01 -0.17 -0.23 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 3 Cb 0.38 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 3 CO 0.03 0.79 -1.34 1.96 -1.00 0.00 0.00 179.01 179.44 2k0f h GLN 4 N 0.89 0.00 0.18 2.33 4.20 -1.87 -1.73 115.11 119.11 2k0f h GLN 4 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2k0f h GLN 4 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2k0f h GLN 4 CO -0.01 0.58 -0.09 0.82 -0.67 0.00 0.00 178.83 179.46 2k0f h ILE 5 N 0.00 0.86 -0.43 2.54 1.08 -1.42 -2.27 117.51 117.87 2k0f h ILE 5 Ca -0.16 -0.15 0.09 0.00 -0.39 0.00 0.00 64.86 64.25 2k0f h ILE 5 Cb 1.80 0.95 -0.09 0.00 -3.07 0.00 0.00 36.82 36.41 2k0f h ILE 5 CO 0.08 0.04 -0.13 0.00 -0.69 0.00 0.00 178.15 177.44 2k0f h ALA 6 N 0.50 0.24 0.00 1.87 0.00 -1.29 -2.42 119.26 118.16 2k0f h ALA 6 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 6 Cb 0.24 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 6 CO 0.04 -0.48 0.00 -1.91 0.00 0.00 0.00 179.25 176.90 2k0f n GLU 7 N -5.34 0.17 0.05 0.00 4.07 -0.65 -1.72 120.64 117.21 2k0f n GLU 7 Ca 0.03 0.37 -0.11 0.00 -0.06 0.00 0.00 57.16 57.39 2k0f n GLU 7 Cb 0.25 -1.81 -0.13 0.00 -0.06 0.00 0.00 31.44 29.69 2k0f n GLU 7 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 2k0f h PHE 8 N 0.00 0.18 -0.25 4.31 0.04 -1.32 -3.18 116.94 116.73 2k0f h PHE 8 Ca 0.00 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 2k0f h PHE 8 Cb 0.38 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2k0f h PHE 8 CO 0.00 1.14 -0.19 0.87 -0.60 0.00 0.00 178.31 179.53 2k0f h LYS 9 N 0.03 0.44 -0.24 1.51 1.57 -0.82 0.23 116.57 119.29 2k0f h LYS 9 Ca -0.15 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 2k0f h LYS 9 Cb 1.92 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 2k0f h LYS 9 CO 0.14 0.62 -0.14 0.93 -0.57 0.00 0.00 179.45 180.42 2k0f h GLU 10 N 0.40 0.51 -0.20 3.15 4.39 -1.52 -2.34 114.58 118.98 2k0f h GLU 10 Ca 0.07 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 10 Cb 0.57 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2k0f h GLU 10 CO 0.04 0.80 -0.31 0.00 -1.16 0.00 0.00 179.01 178.38 2k0f h ALA 11 N 0.70 1.11 -0.40 3.43 0.00 -1.51 -2.39 119.26 120.20 2k0f h ALA 11 Ca 0.05 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 11 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 11 CO 0.04 0.56 -0.35 0.35 0.00 0.00 0.00 179.25 179.86 2k0f h PHE 12 N 0.34 1.11 -0.61 0.00 3.57 -0.95 -2.89 116.94 117.51 2k0f h PHE 12 Ca 0.05 -0.32 0.11 0.00 3.53 0.00 0.00 57.97 61.34 2k0f h PHE 12 Cb 0.72 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 2k0f h PHE 12 CO 0.02 1.14 0.17 0.77 -2.23 0.00 0.00 178.31 178.18 2k0f h SER 13 N 0.77 0.09 -0.71 0.41 0.02 -1.33 -1.90 113.55 110.91 2k0f h SER 13 Ca 0.07 0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.27 2k0f h SER 13 Cb 0.93 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 2k0f h SER 13 CO 0.09 0.05 0.21 0.25 -1.14 0.00 0.00 176.83 176.29 2k0f h LEU 14 N 0.31 0.10 -0.03 5.07 5.85 -1.25 -3.02 115.31 122.35 2k0f h LEU 14 Ca 0.32 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 2k0f h LEU 14 Cb 0.45 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2k0f h LEU 14 CO -0.37 0.02 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.41 2k0f h PHE 15 N 0.32 0.14 -2.47 1.25 0.04 -1.28 -3.43 116.94 111.53 2k0f h PHE 15 Ca 0.39 -0.06 -0.57 0.00 2.80 0.00 0.00 57.97 60.54 2k0f h PHE 15 Cb 0.62 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2k0f h PHE 15 CO -0.23 0.69 1.27 0.34 -0.60 0.00 0.00 178.31 179.78 2k0f s ASP 16 N -5.97 6.06 0.00 2.17 -1.08 -0.75 -4.74 116.67 112.37 2k0f s ASP 16 Ca -0.16 1.83 0.28 0.00 -0.52 0.00 0.00 52.55 53.98 2k0f s ASP 16 Cb 0.02 -2.52 1.04 0.00 -1.46 0.00 0.00 42.92 39.99 2k0f s ASP 16 CO 0.71 -1.48 1.75 0.29 0.52 0.00 0.00 175.17 176.95 2k0f n LYS 17 N 8.06 0.55 -0.06 4.34 5.02 -1.26 -4.25 118.16 130.56 2k0f n LYS 17 Ca 0.23 -0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2k0f n LYS 17 Cb 0.45 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 18 N -1.03 1.49 0.00 4.39 8.00 -1.26 -5.04 116.55 123.10 2k0f n ASP 18 Ca 0.12 0.39 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2k0f n ASP 18 Cb 0.31 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 1.55 0.99 0.11 0.44 0.00 -1.26 -5.04 105.19 101.97 2k0f n GLY 19 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 1.04 0.00 1.61 5.75 -1.26 -5.03 116.55 118.66 2k0f n ASP 20 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2k0f n ASP 20 Cb 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 2.02 1.98 3.26 6.12 0.00 -1.26 -5.12 105.19 112.20 2k0f n GLY 21 Ca -0.39 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 0.09 -0.16 2.61 -4.23 -1.26 -4.44 115.64 106.25 2k0f s THR 22 Ca 0.00 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2k0f s THR 22 Cb 0.00 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.76 2k0f s THR 22 CO 0.00 -0.42 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.84 2k0f s ILE 23 N -3.20 1.89 0.71 2.99 1.01 -0.61 -4.76 121.20 119.24 2k0f s ILE 23 Ca -0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 2k0f s ILE 23 Cb 0.01 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.81 2k0f s ILE 23 CO -0.07 0.51 1.05 0.42 0.00 0.00 0.00 174.94 176.85 2k0f s THR 24 N 1.25 2.65 0.37 2.92 -4.23 -1.26 -1.53 115.64 115.82 2k0f s THR 24 Ca 0.02 -0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 2k0f s THR 24 Cb -0.13 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.82 2k0f s THR 24 CO -0.10 -0.19 2.00 0.71 -0.54 0.00 0.00 174.62 176.50 2k0f h THR 25 N -0.65 1.08 -0.21 3.99 1.35 -1.95 -2.92 112.91 113.62 2k0f h THR 25 Ca -0.45 -0.25 -0.11 0.00 -0.55 0.00 0.00 66.41 65.05 2k0f h THR 25 Cb 1.30 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2k0f h THR 25 CO 0.62 0.13 -0.28 0.50 -0.25 0.00 0.00 175.52 176.24 2k0f h LYS 26 N 0.73 0.55 0.00 4.72 1.63 -1.95 0.40 116.57 122.66 2k0f h LYS 26 Ca 0.25 -0.32 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 2k0f h LYS 26 Cb 0.08 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2k0f h LYS 26 CO -0.07 0.92 -0.66 1.05 -3.45 0.00 0.00 179.45 177.24 2k0f h GLU 27 N 0.23 0.00 -0.40 1.90 4.11 -1.94 -1.54 114.58 116.94 2k0f h GLU 27 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 2k0f h GLU 27 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2k0f h GLU 27 CO 0.07 0.08 -0.23 1.25 0.07 0.00 0.00 179.01 180.24 2k0f h LEU 28 N 0.00 0.89 -0.80 3.06 5.85 -1.39 -3.09 115.31 119.84 2k0f h LEU 28 Ca -0.02 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.17 2k0f h LEU 28 Cb 1.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2k0f h LEU 28 CO 0.01 1.12 -0.54 1.23 -0.34 0.00 0.00 178.44 179.92 2k0f h GLY 29 N 0.67 0.00 1.92 3.75 0.00 0.61 -2.95 103.07 107.07 2k0f h GLY 29 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2k0f h GLY 29 CO 0.07 0.00 -0.29 -0.84 0.00 0.00 0.00 176.54 175.47 2k0f h THR 30 N 0.00 1.24 0.10 4.70 2.02 -1.29 0.58 112.91 120.26 2k0f h THR 30 Ca -0.01 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2k0f h THR 30 Cb 1.04 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2k0f h THR 30 CO 0.07 0.33 -0.05 1.62 0.37 0.00 0.00 175.52 177.86 2k0f h VAL 31 N 0.09 0.79 -0.79 3.16 3.04 -1.49 -1.29 116.25 119.76 2k0f h VAL 31 Ca 0.01 -1.35 0.10 0.00 -1.01 0.00 0.00 66.70 64.46 2k0f h VAL 31 Cb 0.57 1.41 -0.12 0.00 -2.01 0.00 0.00 31.29 31.15 2k0f h VAL 31 CO 0.04 0.24 -0.37 0.23 -1.01 0.00 0.00 177.57 176.70 2k0f n MET 32 N -4.82 -0.25 -0.30 4.17 2.81 -1.12 -1.43 117.12 116.18 2k0f n MET 32 Ca -0.06 1.21 0.01 0.00 -1.81 0.00 0.00 57.70 57.05 2k0f n MET 32 Cb 0.24 -1.79 0.15 0.00 -0.71 0.00 0.00 33.22 31.11 2k0f n MET 32 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2k0f h ARG 33 N 0.00 0.85 0.00 0.03 2.43 -0.77 0.13 114.38 117.05 2k0f h ARG 33 Ca 0.22 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 33 Cb 0.42 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2k0f h ARG 33 CO -0.77 0.56 -0.12 0.77 -1.51 0.00 0.00 179.97 178.91 2k0f h SER 34 N 0.88 0.00 0.00 -3.80 0.02 -0.04 -3.37 113.55 107.24 2k0f h SER 34 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2k0f h SER 34 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2k0f h SER 34 CO -0.20 0.12 -0.69 0.18 -1.14 0.00 0.00 176.83 175.11 2k0f n LEU 35 N -3.63 1.36 0.00 5.07 4.77 -0.78 -4.91 117.00 118.88 2k0f n LEU 35 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2k0f n LEU 35 Cb 0.24 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2k0f n LEU 35 CO 0.30 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2k0f n GLY 36 N 1.48 4.07 3.67 -0.72 0.00 0.37 -5.10 105.19 108.96 2k0f n GLY 36 Ca -0.10 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 4.55 0.10 -0.38 1.61 -2.07 -1.26 -4.44 119.66 117.78 2k0f s GLN 37 Ca 0.00 0.33 -0.18 0.00 -1.82 0.00 0.00 55.36 53.70 2k0f s GLN 37 Cb 0.00 -1.71 0.00 0.00 -1.09 0.00 0.00 33.01 30.21 2k0f s GLN 37 CO 0.00 -2.91 0.48 1.21 -1.32 0.00 0.00 175.29 172.74 2k0f s ASN 38 N -3.64 6.26 1.12 12.60 2.47 -1.26 -2.97 114.94 129.51 2k0f s ASN 38 Ca 0.67 -0.28 -0.18 0.00 0.42 0.00 0.00 52.86 53.48 2k0f s ASN 38 Cb -0.16 -2.25 0.26 0.00 -1.45 0.00 0.00 41.25 37.65 2k0f s ASN 38 CO 0.57 -0.51 1.21 -2.16 -3.72 0.00 0.00 177.10 172.48 2k0f s PRO 39 N 2.30 -0.59 -0.06 0.43 0.04 -1.26 -5.04 135.00 130.82 2k0f s PRO 39 Ca 0.16 -0.27 -0.10 0.00 0.04 0.00 0.00 61.00 60.83 2k0f s PRO 39 Cb -0.16 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2k0f s PRO 39 CO 0.14 -3.26 0.26 0.95 0.04 0.00 0.00 177.00 175.13 2k0f s THR 40 N -3.40 5.30 0.30 1.26 -4.23 -1.26 -4.99 115.64 108.62 2k0f s THR 40 Ca 0.73 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 2k0f s THR 40 Cb -0.06 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.50 2k0f s THR 40 CO 0.55 0.57 1.97 -0.33 -0.54 0.00 0.00 174.62 176.83 2k0f h GLU 41 N 4.73 1.07 -0.52 3.99 5.08 -1.96 -1.67 114.58 125.31 2k0f h GLU 41 Ca -0.53 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 2k0f h GLU 41 Cb 1.22 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2k0f h GLU 41 CO 0.60 0.71 0.27 0.00 -1.00 0.00 0.00 179.01 179.59 2k0f h ALA 42 N 1.49 1.50 0.00 3.43 0.00 -1.99 0.53 119.26 124.22 2k0f h ALA 42 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k0f h ALA 42 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2k0f h ALA 42 CO -0.07 0.41 -0.47 1.05 0.00 0.00 0.00 179.25 180.17 2k0f h GLU 43 N 0.72 0.00 0.07 0.00 4.11 -1.83 -3.21 114.58 114.44 2k0f h GLU 43 Ca 0.18 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.36 2k0f h GLU 43 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k0f h GLU 43 CO -0.03 0.00 -1.10 1.25 0.07 0.00 0.00 179.01 179.20 2k0f h LEU 44 N 0.00 0.42 -0.49 3.06 5.85 -0.98 -3.36 115.31 119.81 2k0f h LEU 44 Ca 0.00 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.41 2k0f h LEU 44 Cb 1.00 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 44 CO 0.00 1.26 0.07 -0.61 -0.34 0.00 0.00 178.44 178.82 2k0f h GLN 45 N 0.12 0.19 0.00 1.25 4.15 -0.90 -2.19 115.11 117.73 2k0f h GLN 45 Ca -0.10 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 2k0f h GLN 45 Cb 1.79 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 2k0f h GLN 45 CO 0.18 0.13 -0.26 0.22 -1.93 0.00 0.00 178.83 177.17 2k0f h ASP 46 N 0.20 0.00 -0.53 -0.69 3.58 -1.70 0.13 116.42 117.41 2k0f h ASP 46 Ca 0.25 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 46 Cb 0.35 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2k0f h ASP 46 CO -0.35 0.26 0.17 0.24 -2.88 0.00 0.00 179.24 176.68 2k0f h MET 47 N 0.00 0.82 -0.12 0.28 2.86 -1.59 -2.93 114.93 114.25 2k0f h MET 47 Ca -0.00 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.33 2k0f h MET 47 Cb 0.63 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 47 CO 0.03 0.75 -0.44 0.82 1.06 0.00 0.00 176.91 179.13 2k0f h ILE 48 N 0.72 1.37 -0.92 -1.22 1.08 -0.73 -3.10 117.51 114.71 2k0f h ILE 48 Ca 0.17 -1.75 0.27 0.00 -0.39 0.00 0.00 64.86 63.15 2k0f h ILE 48 Cb 0.27 2.14 -0.04 0.00 -3.07 0.00 0.00 36.82 36.12 2k0f h ILE 48 CO -0.01 0.53 0.76 0.78 -0.69 0.00 0.00 178.15 179.52 2k0f h ASN 49 N 0.11 0.00 0.04 1.72 4.21 -0.72 -0.48 115.58 120.47 2k0f h ASN 49 Ca -0.02 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.36 2k0f h ASN 49 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 2k0f h ASN 49 CO 0.09 0.00 -0.42 -0.08 -1.29 0.00 0.00 177.43 175.74 2k0f h GLU 50 N 0.00 0.47 -0.14 0.81 4.81 -1.43 -2.72 114.58 116.38 2k0f h GLU 50 Ca 0.44 -0.24 -0.21 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 50 Cb 1.96 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.35 2k0f h GLU 50 CO -0.00 0.80 -0.72 0.28 -0.73 0.00 0.00 179.01 178.64 2k0f h VAL 51 N 0.39 1.29 -2.29 0.32 2.07 -1.47 -3.47 116.25 113.09 2k0f h VAL 51 Ca 0.03 -1.94 -0.61 0.00 0.82 0.00 0.00 66.70 65.01 2k0f h VAL 51 Cb 0.89 2.03 0.07 0.00 -1.52 0.00 0.00 31.29 32.76 2k0f h VAL 51 CO 0.08 0.61 0.61 -0.67 0.02 0.00 0.00 177.57 178.21 2k0f n ASP 52 N -4.00 2.51 -0.01 0.57 -0.08 -0.27 -4.94 116.55 110.33 2k0f n ASP 52 Ca -0.08 1.12 -0.10 0.00 -1.51 0.00 0.00 54.79 54.23 2k0f n ASP 52 Cb 0.72 -1.36 -0.14 0.00 2.34 0.00 0.00 41.12 42.68 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0f h ALA 53 N 4.75 0.71 0.00 -1.67 0.00 -1.91 -3.41 119.26 117.73 2k0f h ALA 53 Ca -0.45 -1.42 -0.37 0.00 0.00 0.00 0.00 54.91 52.67 2k0f h ALA 53 Cb 1.29 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 2k0f h ALA 53 CO 0.80 1.53 -2.40 -0.25 0.00 0.00 0.00 179.25 178.94 2k0f n ASP 54 N -3.11 0.22 -0.27 0.00 8.00 -1.26 -5.02 116.55 115.11 2k0f n ASP 54 Ca -0.17 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2k0f n ASP 54 Cb 1.04 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 42.99 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 55 N 1.80 0.89 0.02 0.44 0.00 -1.26 -5.00 105.19 102.08 2k0f n GLY 55 Ca -0.34 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 1.31 0.60 0.00 1.61 0.23 -1.26 -5.05 115.26 112.70 2k0f n ASN 56 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 2k0f n ASN 56 Cb 0.39 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.67 1.99 3.02 4.83 0.00 -1.26 -4.98 105.19 110.46 2k0f n GLY 57 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 1.35 0.02 2.61 -4.23 -1.26 -4.36 115.64 107.77 2k0f s THR 58 Ca 0.00 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.66 2k0f s THR 58 Cb 0.00 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 2k0f s THR 58 CO 0.00 0.41 1.02 -0.51 -0.54 0.00 0.00 174.62 175.00 2k0f s ILE 59 N 1.05 4.67 0.38 2.99 2.07 -0.58 -4.80 121.20 126.98 2k0f s ILE 59 Ca -0.06 1.95 0.08 0.00 -1.41 0.00 0.00 60.65 61.20 2k0f s ILE 59 Cb -0.15 -4.25 -0.04 0.00 0.13 0.00 0.00 42.46 38.15 2k0f s ILE 59 CO -0.02 0.17 0.19 -1.81 -1.91 0.00 0.00 174.94 171.56 2k0f s ASP 60 N 0.90 4.61 0.09 4.50 1.01 -1.26 -1.57 116.67 124.96 2k0f s ASP 60 Ca 0.53 -0.91 -0.26 0.00 0.71 0.00 0.00 52.55 52.62 2k0f s ASP 60 Cb -0.23 -0.59 -0.13 0.00 1.01 0.00 0.00 42.92 42.98 2k0f s ASP 60 CO 0.29 -0.46 1.69 0.15 0.21 0.00 0.00 175.17 177.05 2k0f h PHE 61 N 1.42 -0.36 0.00 4.23 3.57 -1.97 -0.48 116.94 123.35 2k0f h PHE 61 Ca -0.43 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.25 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2k0f h PHE 61 CO 0.61 -0.21 0.00 -0.35 -2.23 0.00 0.00 178.31 176.13 2k0f n PRO 62 N -5.26 0.01 -0.06 6.41 -0.04 -1.26 -1.45 135.00 133.34 2k0f n PRO 62 Ca -0.08 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 2k0f n PRO 62 Cb 0.18 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.53 0.65 -0.24 0.54 1.02 -0.51 -1.50 120.64 119.07 2k0f n GLU 63 Ca 0.02 0.43 0.02 0.00 -0.02 0.00 0.00 57.16 57.61 2k0f n GLU 63 Cb 0.12 -1.72 0.10 0.00 -0.02 0.00 0.00 31.44 29.92 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 -0.55 -0.27 -0.47 -0.32 3.57 -1.01 -2.04 116.94 115.85 2k0f h PHE 64 Ca -0.40 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.21 2k0f h PHE 64 Cb 1.63 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 40.55 2k0f h PHE 64 CO 0.08 -0.28 0.19 -0.07 -2.23 0.00 0.00 178.31 176.01 2k0f h LEU 65 N 0.03 0.24 -0.54 0.59 3.38 -1.15 -3.19 115.31 114.66 2k0f h LEU 65 Ca 0.35 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 2k0f h LEU 65 Cb 0.56 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k0f h LEU 65 CO -0.69 0.17 0.10 0.74 0.09 0.00 0.00 178.44 178.86 2k0f h THR 66 N 0.39 1.25 -0.71 0.22 2.02 -1.12 -1.96 112.91 113.00 2k0f h THR 66 Ca 0.22 -0.93 0.11 0.00 0.77 0.00 0.00 66.41 66.58 2k0f h THR 66 Cb 0.18 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.32 2k0f h THR 66 CO -0.19 0.34 0.31 -0.03 0.37 0.00 0.00 175.52 176.31 2k0f h MET 67 N 0.77 0.48 0.10 6.66 1.85 -1.36 -0.82 114.93 122.61 2k0f h MET 67 Ca 0.17 -0.03 -0.15 0.00 -0.61 0.00 0.00 59.70 59.08 2k0f h MET 67 Cb 0.38 -0.11 0.01 0.00 0.43 0.00 0.00 31.60 32.32 2k0f h MET 67 CO 0.01 0.32 -0.68 0.52 -0.40 0.00 0.00 176.91 176.68 2k0f h MET 68 N 0.50 0.21 -0.70 0.39 2.07 -1.55 -3.37 114.93 112.48 2k0f h MET 68 Ca 0.37 -0.37 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 68 Cb 0.47 0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.31 2k0f h MET 68 CO -0.33 1.17 0.42 0.00 1.07 0.00 0.00 176.91 179.25 2k0f h ALA 69 N 0.04 0.89 -2.40 6.32 0.00 -1.21 -3.42 119.26 119.49 2k0f h ALA 69 Ca -0.13 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 2k0f h ALA 69 Cb 1.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 69 CO 0.10 0.37 0.54 0.50 0.00 0.00 0.00 179.25 180.75 2k0f s ARG 70 N -5.98 4.45 0.29 0.00 3.52 -0.33 -5.04 118.95 115.87 2k0f s ARG 70 Ca -0.13 1.60 -0.01 0.00 -0.13 0.00 0.00 55.73 57.07 2k0f s ARG 70 Cb 0.14 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2k0f s ARG 70 CO 0.78 -0.25 0.50 0.15 -0.81 0.00 0.00 175.30 175.67 2k0f s LYS 71 N 1.43 3.52 0.00 5.12 1.02 -1.26 -4.89 119.74 124.68 2k0f s LYS 71 Ca 0.55 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.26 2k0f s LYS 71 Cb -0.25 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2k0f s LYS 71 CO 0.26 0.24 0.00 -1.33 -0.92 0.00 0.00 175.35 173.60 2k0f n MET 72 N -1.30 2.82 -2.87 1.68 2.81 -1.26 -5.11 117.12 113.89 2k0f n MET 72 Ca -0.04 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.49 2k0f n MET 72 Cb 0.55 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.00 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 1.25 4.41 0.56 0.03 -2.85 -1.26 -4.86 119.74 117.03 2k0f s LYS 73 Ca 0.00 1.15 0.34 0.00 -1.00 0.00 0.00 55.97 56.47 2k0f s LYS 73 Cb 0.00 -2.67 1.58 0.00 -2.06 0.00 0.00 37.83 34.68 2k0f s LYS 73 CO 0.00 0.23 2.07 -0.44 0.10 0.00 0.00 175.35 177.32 2k0f h ASP 74 N 2.92 0.00 -0.12 0.03 5.19 -1.99 -2.00 116.42 120.45 2k0f h ASP 74 Ca -0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.86 2k0f h ASP 74 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2k0f h ASP 74 CO 0.64 0.04 -0.21 0.74 -3.12 0.00 0.00 179.24 177.33 2k0f h THR 75 N 0.00 1.38 0.00 0.35 2.02 -2.00 -3.06 112.91 111.60 2k0f h THR 75 Ca -0.00 -1.47 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 2k0f h THR 75 Cb 0.39 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2k0f h THR 75 CO 0.01 0.43 -0.46 0.44 0.37 0.00 0.00 175.52 176.30 2k0f h ASP 76 N -0.06 0.00 -0.48 4.18 3.32 -1.75 -2.81 116.42 118.81 2k0f h ASP 76 Ca 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2k0f h ASP 76 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2k0f h ASP 76 CO 0.05 0.46 0.12 0.28 -1.72 0.00 0.00 179.24 178.43 2k0f h SER 77 N 0.00 0.78 0.28 6.45 0.02 -1.52 -2.23 113.55 117.33 2k0f h SER 77 Ca -0.00 -0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.59 2k0f h SER 77 Cb 1.22 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2k0f h SER 77 CO 0.06 0.77 -0.86 -0.08 -1.14 0.00 0.00 176.83 175.58 2k0f h GLU 78 N 0.80 0.43 -0.62 3.45 4.81 -1.49 -3.32 114.58 118.65 2k0f h GLU 78 Ca 0.17 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2k0f h GLU 78 Cb 0.31 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2k0f h GLU 78 CO 0.00 1.07 0.36 1.49 -0.73 0.00 0.00 179.01 181.20 2k0f h GLU 79 N 0.27 0.84 -0.15 1.92 4.81 -1.21 -1.82 114.58 119.24 2k0f h GLU 79 Ca -0.06 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 79 Cb 1.48 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 2k0f h GLU 79 CO 0.15 0.62 -0.18 1.49 -0.73 0.00 0.00 179.01 180.37 2k0f h GLU 80 N 0.83 -0.20 -0.07 1.92 4.81 -1.51 -1.77 114.58 118.60 2k0f h GLU 80 Ca 0.22 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 80 Cb 0.00 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 80 CO -0.04 -0.13 -0.62 0.82 -0.73 0.00 0.00 179.01 178.31 2k0f h ILE 81 N -0.21 1.36 -0.75 2.32 2.04 -1.62 -2.28 117.51 118.36 2k0f h ILE 81 Ca 0.11 -1.95 0.17 0.00 1.00 0.00 0.00 64.86 64.19 2k0f h ILE 81 Cb 0.36 2.29 -0.12 0.00 -0.74 0.00 0.00 36.82 38.61 2k0f h ILE 81 CO -0.28 0.59 0.13 -0.09 0.00 0.00 0.00 178.15 178.49 2k0f h ARG 82 N 0.15 0.20 -0.36 2.37 2.43 -1.32 -1.12 114.38 116.73 2k0f h ARG 82 Ca -0.06 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 2k0f h ARG 82 Cb 1.28 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2k0f h ARG 82 CO 0.13 0.13 -0.42 0.93 -1.51 0.00 0.00 179.97 179.23 2k0f h GLU 83 N 0.20 0.91 -0.22 0.20 4.39 -1.29 -3.04 114.58 115.73 2k0f h GLU 83 Ca 0.42 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 83 Cb 0.75 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2k0f h GLU 83 CO -0.57 1.15 0.16 0.00 -1.16 0.00 0.00 179.01 178.59 2k0f h ALA 84 N 0.78 2.18 -0.13 3.43 0.00 -0.62 -2.57 119.26 122.32 2k0f h ALA 84 Ca 0.05 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 84 Cb 1.01 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 84 CO 0.10 -0.28 -0.64 0.35 0.00 0.00 0.00 179.25 178.78 2k0f h PHE 85 N 0.00 0.90 0.00 0.00 3.57 -1.37 -3.25 116.94 116.79 2k0f h PHE 85 Ca 0.11 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2k0f h PHE 85 Cb 0.43 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2k0f h PHE 85 CO 0.00 1.20 0.00 -2.13 -2.23 0.00 0.00 178.31 175.15 2k0f n ARG 86 N -4.08 0.17 -0.05 1.11 0.63 -0.98 -1.59 116.66 111.88 2k0f n ARG 86 Ca -0.08 0.56 -0.13 0.00 -0.92 0.00 0.00 57.85 57.28 2k0f n ARG 86 Cb 0.67 -1.94 -0.08 0.00 0.45 0.00 0.00 32.46 31.57 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 0.00 1.36 -0.47 5.15 2.07 -1.57 -3.15 116.25 119.64 2k0f h VAL 87 Ca 0.00 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 2k0f h VAL 87 Cb 0.15 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2k0f h VAL 87 CO 0.00 0.38 0.05 -0.26 0.02 0.00 0.00 177.57 177.76 2k0f h PHE 88 N -0.10 0.86 -2.69 1.57 0.04 -1.44 -3.43 116.94 111.75 2k0f h PHE 88 Ca 0.02 -0.13 -0.56 0.00 2.80 0.00 0.00 57.97 60.09 2k0f h PHE 88 Cb 0.67 -0.23 -0.09 0.00 2.20 0.00 0.00 35.95 38.50 2k0f h PHE 88 CO 0.09 0.81 0.92 0.34 -0.60 0.00 0.00 178.31 179.87 2k0f s ASP 89 N -6.24 6.25 -0.21 2.17 2.15 -0.95 -4.81 116.67 115.03 2k0f s ASP 89 Ca -0.13 -0.38 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 2k0f s ASP 89 Cb 0.11 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 89 CO 0.80 -1.63 0.22 0.50 -0.17 0.00 0.00 175.17 174.89 2k0f h LYS 90 N 9.77 0.00 -0.23 4.34 3.64 -1.83 -3.38 116.57 128.89 2k0f h LYS 90 Ca -0.27 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.99 2k0f h LYS 90 Cb 1.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2k0f h LYS 90 CO 1.22 1.00 -0.30 0.38 -2.27 0.00 0.00 179.45 179.49 2k0f h ASP 91 N -0.99 0.65 0.00 4.20 3.04 -1.95 -3.49 116.42 117.89 2k0f h ASP 91 Ca -0.35 -0.50 0.00 0.00 -3.24 0.00 0.00 57.03 52.94 2k0f h ASP 91 Cb 1.31 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2k0f h ASP 91 CO -0.21 1.03 0.00 0.61 -2.04 0.00 0.00 179.24 178.63 2k0f n GLY 92 N 0.27 1.22 0.15 7.15 0.00 -1.26 -5.01 105.19 107.71 2k0f n GLY 92 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.70 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.80 0.56 3.00 9.14 0.00 -1.26 -5.04 105.19 112.38 2k0f n GLY 94 Ca 0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 1.18 -0.19 1.61 2.02 -1.26 -4.17 117.35 114.54 2k0f s TYR 95 Ca 0.00 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 56.10 2k0f s TYR 95 Cb 0.00 -0.88 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 2k0f s TYR 95 CO 0.00 -0.20 0.71 0.42 -1.57 0.00 0.00 175.55 174.91 2k0f s ILE 96 N 0.54 4.96 0.58 2.71 1.01 -0.21 -4.83 121.20 125.95 2k0f s ILE 96 Ca -0.10 1.36 0.10 0.00 0.00 0.00 0.00 60.65 62.01 2k0f s ILE 96 Cb -0.13 -4.02 0.09 0.00 0.01 0.00 0.00 42.46 38.40 2k0f s ILE 96 CO 0.02 0.06 0.78 -0.94 0.00 0.00 0.00 174.94 174.87 2k0f s SER 97 N 1.21 5.08 0.11 3.58 1.04 -1.26 -1.64 113.70 121.82 2k0f s SER 97 Ca 0.32 -0.87 -0.31 0.00 0.48 0.00 0.00 55.95 55.57 2k0f s SER 97 Cb -0.16 0.33 -0.11 0.00 0.10 0.00 0.00 66.02 66.17 2k0f s SER 97 CO 0.11 -1.35 1.50 0.00 0.98 0.00 0.00 173.24 174.48 2k0f h ALA 98 N 0.19 -0.81 0.00 5.32 0.00 -1.94 -1.93 119.26 120.08 2k0f h ALA 98 Ca -0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 98 Cb 1.29 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 2k0f h ALA 98 CO 0.41 -1.02 -0.04 0.00 0.00 0.00 0.00 179.25 178.60 2k0f h ALA 99 N -0.29 1.86 -0.04 0.00 0.00 -1.98 -2.19 119.26 116.61 2k0f h ALA 99 Ca 0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 99 Cb 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 99 CO -0.46 0.06 -0.95 0.93 0.00 0.00 0.00 179.25 178.83 2k0f h GLU 100 N 0.00 0.65 0.30 0.00 5.08 -1.84 -2.19 114.58 116.59 2k0f h GLU 100 Ca -0.00 -0.65 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2k0f h GLU 100 Cb 0.08 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 100 CO 0.01 1.25 -0.15 1.25 -1.00 0.00 0.00 179.01 180.37 2k0f h LEU 101 N 0.39 -0.34 -0.79 1.33 5.85 -1.10 -1.64 115.31 119.01 2k0f h LEU 101 Ca -0.10 -0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 101 Cb 1.59 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.59 2k0f h LEU 101 CO 0.18 0.13 0.25 -0.09 -0.34 0.00 0.00 178.44 178.58 2k0f h ARG 102 N -1.00 0.32 -0.05 1.25 2.43 -1.53 0.31 114.38 116.10 2k0f h ARG 102 Ca -0.04 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 102 Cb 0.47 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2k0f h ARG 102 CO 0.07 0.21 -0.05 1.25 -1.51 0.00 0.00 179.97 179.94 2k0f h HIS 103 N 0.33 -0.12 0.18 2.20 2.76 -1.23 0.46 115.15 119.73 2k0f h HIS 103 Ca 0.46 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.65 2k0f h HIS 103 Cb 0.81 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.80 2k0f h HIS 103 CO -0.22 -0.08 -0.35 0.28 -1.30 0.00 0.00 177.93 176.26 2k0f h VAL 104 N -0.07 0.27 0.00 5.26 2.07 -0.63 -1.82 116.25 121.33 2k0f h VAL 104 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k0f h VAL 104 Cb 0.12 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2k0f h VAL 104 CO -0.09 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.67 2k0f h MET 105 N -0.62 0.00 0.05 1.57 2.07 -0.30 0.06 114.93 117.75 2k0f h MET 105 Ca 0.01 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.54 2k0f h MET 105 Cb 0.62 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.36 2k0f h MET 105 CO -0.17 0.08 -0.42 1.15 1.07 0.00 0.00 176.91 178.62 2k0f h THR 106 N 0.00 1.58 0.00 2.22 2.02 0.00 0.29 112.91 119.02 2k0f h THR 106 Ca -0.00 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.93 2k0f h THR 106 Cb 0.32 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2k0f h THR 106 CO 0.01 0.62 0.00 0.78 0.37 0.00 0.00 175.52 177.30 2k0f h ASN 107 N -0.52 0.00 0.14 4.18 -0.26 -1.05 -3.06 115.58 115.01 2k0f h ASN 107 Ca -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 2k0f h ASN 107 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2k0f h ASN 107 CO 0.08 0.00 -0.07 -0.07 -1.06 0.00 0.00 177.43 176.31 2k0f h LEU 108 N 0.00 -0.16 0.00 1.61 3.38 -1.06 -3.45 115.31 115.63 2k0f h LEU 108 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 108 Cb 0.49 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2k0f h LEU 108 CO 0.00 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.37 2k0f n GLY 109 N 1.24 -0.06 3.78 0.83 0.00 -0.49 -4.96 105.19 105.52 2k0f n GLY 109 Ca -0.02 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 4.32 -0.57 1.61 0.41 0.89 -4.98 118.70 120.38 2k0f s GLU 110 Ca 0.00 0.80 -0.04 0.00 -0.41 0.00 0.00 54.97 55.32 2k0f s GLU 110 Cb 0.00 -3.30 0.10 0.00 -1.78 0.00 0.00 34.13 29.15 2k0f s GLU 110 CO 0.00 0.46 2.65 1.63 -0.49 0.00 0.00 175.26 179.51 2k0f n LYS 111 N 2.32 2.65 -1.59 1.61 5.02 -1.26 -4.56 118.16 122.35 2k0f n LYS 111 Ca -0.07 -2.60 -0.29 0.00 -2.02 0.00 0.00 58.31 53.33 2k0f n LYS 111 Cb 0.51 -2.20 0.14 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.42 2.05 0.00 -0.35 2.34 -1.26 -5.11 118.68 113.93 2k0f s LEU 112 Ca 0.58 0.82 0.00 0.00 0.06 0.00 0.00 54.13 55.59 2k0f s LEU 112 Cb 0.37 -3.08 -0.00 0.00 -0.56 0.00 0.00 46.19 42.92 2k0f s LEU 112 CO -0.24 -2.63 0.01 0.35 -1.06 0.00 0.00 176.35 172.78 2k0f n THR 113 N -3.79 0.00 0.16 5.48 -2.24 -1.26 -5.03 114.28 107.60 2k0f n THR 113 Ca 0.08 -1.35 0.03 0.00 -2.27 0.00 0.00 64.05 60.54 2k0f n THR 113 Cb 0.60 0.29 0.24 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.71 0.00 0.62 3.42 3.32 -2.00 -2.88 116.42 119.61 2k0f h ASP 114 Ca -0.23 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 2k0f h ASP 114 Cb 0.72 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2k0f h ASP 114 CO 0.39 0.48 -0.64 -0.33 -1.72 0.00 0.00 179.24 177.42 2k0f h GLU 115 N 0.00 0.02 -0.12 3.56 3.07 -1.98 -1.25 114.58 117.88 2k0f h GLU 115 Ca -0.00 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 2k0f h GLU 115 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2k0f h GLU 115 CO 0.06 0.65 -0.33 0.93 -1.40 0.00 0.00 179.01 178.92 2k0f h GLU 116 N 0.01 0.43 -0.38 2.33 4.39 -1.92 -2.23 114.58 117.21 2k0f h GLU 116 Ca -0.01 -0.31 0.05 0.00 0.34 0.00 0.00 59.36 59.44 2k0f h GLU 116 Cb 1.13 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.75 2k0f h GLU 116 CO 0.08 0.92 -0.52 0.28 -1.16 0.00 0.00 179.01 178.61 2k0f h VAL 117 N 0.01 0.03 -0.65 3.13 2.07 -1.45 -1.93 116.25 117.46 2k0f h VAL 117 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 117 Cb 0.95 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 2k0f h VAL 117 CO 0.07 0.00 0.25 -0.78 0.02 0.00 0.00 177.57 177.13 2k0f h ASP 118 N -0.40 0.24 -0.16 0.57 3.58 -1.32 -1.45 116.42 117.48 2k0f h ASP 118 Ca 0.09 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 118 Cb 0.61 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 2k0f h ASP 118 CO -0.57 0.13 -0.08 -0.08 -2.88 0.00 0.00 179.24 175.76 2k0f h GLU 119 N 0.42 -0.06 -0.09 0.28 4.81 -1.12 -2.15 114.58 116.66 2k0f h GLU 119 Ca 0.33 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 119 Cb 0.44 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 119 CO -0.33 -0.04 -0.53 0.52 -0.73 0.00 0.00 179.01 177.90 2k0f h MET 120 N -0.06 0.52 -0.03 1.92 2.86 -1.21 0.14 114.93 119.06 2k0f h MET 120 Ca 0.09 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2k0f h MET 120 Cb 0.19 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2k0f h MET 120 CO -0.20 1.07 -0.28 0.82 1.06 0.00 0.00 176.91 179.37 2k0f h ILE 121 N 0.12 0.00 0.00 -1.22 1.08 -1.28 -1.19 117.51 115.02 2k0f h ILE 121 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2k0f h ILE 121 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2k0f h ILE 121 CO 0.11 0.00 0.00 0.03 -0.69 0.00 0.00 178.15 177.60 2k0f h ARG 122 N -0.33 0.00 -0.77 2.37 3.08 -1.20 -1.95 114.38 115.57 2k0f h ARG 122 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 122 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 2k0f h ARG 122 CO -0.21 0.00 0.37 1.49 -1.07 0.00 0.00 179.97 180.56 2k0f h GLU 123 N 0.00 1.11 0.05 0.04 4.81 -0.54 -3.09 114.58 116.95 2k0f h GLU 123 Ca 0.00 -0.16 -0.23 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 123 Cb 0.78 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2k0f h GLU 123 CO 0.00 0.86 -1.04 0.00 -0.73 0.00 0.00 179.01 178.10 2k0f h ALA 124 N 1.19 0.32 -2.28 2.92 0.00 -0.54 -3.45 119.26 117.42 2k0f h ALA 124 Ca 0.26 -0.83 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 2k0f h ALA 124 Cb 0.11 -0.07 0.08 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 124 CO -0.03 1.02 0.64 -3.47 0.00 0.00 0.00 179.25 177.40 2k0f n ASP 125 N -3.54 2.75 -0.08 0.00 2.03 -0.80 -4.75 116.55 112.16 2k0f n ASP 125 Ca -0.04 1.13 -0.14 0.00 0.52 0.00 0.00 54.79 56.25 2k0f n ASP 125 Cb 0.92 -1.41 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k0f n ILE 126 N 2.25 0.93 0.00 5.18 5.41 -1.26 -4.92 119.36 126.95 2k0f n ILE 126 Ca 0.13 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2k0f n ILE 126 Cb 0.30 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.31 0.00 -0.81 4.38 5.68 -1.26 -5.04 116.55 116.19 2k0f n ASP 127 Ca -0.31 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 53.98 2k0f n ASP 127 Cb 0.78 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.76 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.90 -0.61 0.15 6.12 0.00 -1.26 -5.00 105.19 107.49 2k0f n GLY 128 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.01 0.63 -0.13 1.61 3.04 -1.98 -3.48 116.42 116.12 2k0f h ASP 129 Ca -0.01 -0.76 0.00 0.00 -3.24 0.00 0.00 57.03 53.01 2k0f h ASP 129 Cb 0.67 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 2k0f h ASP 129 CO -0.01 1.31 0.00 0.61 -2.04 0.00 0.00 179.24 179.12 2k0f n GLY 130 N 1.10 0.69 2.93 7.15 0.00 -1.26 -5.10 105.19 110.71 2k0f n GLY 130 Ca -0.11 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2k0f n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 131 N -3.60 0.22 -0.24 1.61 0.74 -1.26 -4.81 119.66 112.30 2k0f s GLN 131 Ca 0.00 -0.24 -0.15 0.00 0.05 0.00 0.00 55.36 55.02 2k0f s GLN 131 Cb 0.00 -0.11 -0.04 0.00 1.10 0.00 0.00 33.01 33.97 2k0f s GLN 131 CO 0.00 0.02 0.38 0.08 -0.55 0.00 0.00 175.29 175.22 2k0f s VAL 132 N -0.46 5.19 0.61 1.34 1.01 -0.65 -4.83 120.40 122.61 2k0f s VAL 132 Ca -0.04 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 2k0f s VAL 132 Cb -0.03 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.77 2k0f s VAL 132 CO -0.00 0.20 0.83 -0.46 0.00 0.00 0.00 175.10 175.67 2k0f n ASN 133 N 4.99 0.84 -0.06 3.32 0.23 -1.26 -1.04 115.26 122.27 2k0f n ASN 133 Ca -0.09 -1.77 -0.07 0.00 -0.53 0.00 0.00 54.58 52.12 2k0f n ASN 133 Cb 0.51 -0.56 0.12 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.78 0.79 -0.14 -2.53 3.20 -1.98 -2.42 116.97 113.11 2k0f h TYR 134 Ca -0.27 -0.18 -0.20 0.00 3.14 0.00 0.00 58.73 61.22 2k0f h TYR 134 Cb 0.94 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2k0f h TYR 134 CO 0.00 0.87 -0.72 0.93 -1.64 0.00 0.00 178.16 177.60 2k0f h GLU 135 N 0.61 0.62 -0.51 1.82 5.08 -1.96 -2.84 114.58 117.41 2k0f h GLU 135 Ca 0.09 -0.49 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2k0f h GLU 135 Cb 0.72 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 135 CO 0.06 1.11 0.21 0.93 -1.00 0.00 0.00 179.01 180.32 2k0f h GLU 136 N 0.44 0.40 -0.74 2.33 5.08 -1.87 -1.94 114.58 118.27 2k0f h GLU 136 Ca -0.03 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 136 Cb 1.32 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 2k0f h GLU 136 CO 0.14 0.27 0.06 0.35 -1.00 0.00 0.00 179.01 178.83 2k0f h PHE 137 N 0.41 0.06 0.08 4.33 3.57 -1.45 -0.65 116.94 123.29 2k0f h PHE 137 Ca 0.24 0.05 -0.26 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 137 Cb 0.22 0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.06 2k0f h PHE 137 CO -0.14 -0.19 -1.12 0.28 -2.23 0.00 0.00 178.31 174.91 2k0f h VAL 138 N 0.15 1.42 -0.52 1.41 2.07 -1.20 -0.36 116.25 119.21 2k0f h VAL 138 Ca 0.41 -2.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.17 2k0f h VAL 138 Cb 0.73 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2k0f h VAL 138 CO -0.61 0.80 0.07 -0.61 0.02 0.00 0.00 177.57 177.24 2k0f h GLN 139 N 0.17 0.88 0.00 1.57 5.75 -1.13 -0.89 115.11 121.45 2k0f h GLN 139 Ca -0.12 -0.24 -0.16 0.00 -0.15 0.00 0.00 58.65 57.98 2k0f h GLN 139 Cb 1.79 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 30.22 2k0f h GLN 139 CO 0.19 0.87 -0.76 0.00 -2.65 0.00 0.00 178.83 176.48 2k0f h MET 140 N 0.76 0.00 0.11 1.69 -0.00 -0.98 -3.35 114.93 113.15 2k0f h MET 140 Ca 0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.54 2k0f h MET 140 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.01 2k0f h MET 140 CO 0.01 0.76 -1.68 1.98 -0.00 0.00 0.00 176.91 177.98 2k0f h MET 141 N 0.00 0.22 -0.02 -0.10 1.85 -0.89 -3.51 114.93 112.48 2k0f h MET 141 Ca -0.01 -0.38 0.00 0.00 -0.61 0.00 0.00 59.70 58.70 2k0f h MET 141 Cb 1.41 0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.59 2k0f h MET 141 CO 0.10 1.05 0.00 0.25 -0.40 0.00 0.00 176.91 177.91