#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 0.00 1.09 9.09 -2.05 -2.86 114.58 119.85 2k0f h GLU 2 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2k0f h GLU 2 CO 0.00 0.57 -0.26 0.93 0.05 0.00 0.00 179.01 180.30 2k0f h GLU 3 N 0.00 0.00 0.99 1.06 5.08 -2.05 -1.71 114.58 117.96 2k0f h GLU 3 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 3 Cb 1.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.38 2k0f h GLU 3 CO 0.07 0.26 -0.49 1.96 -1.00 0.00 0.00 179.01 179.81 2k0f h GLN 4 N 0.00 -1.30 -0.31 2.33 4.20 -1.94 -1.15 115.11 116.94 2k0f h GLN 4 Ca -0.00 0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2k0f h GLN 4 Cb 0.81 0.30 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 2k0f h GLN 4 CO 0.03 -0.87 0.18 0.82 -0.67 0.00 0.00 178.83 178.33 2k0f h ILE 5 N -1.35 1.03 -0.94 2.54 2.04 -1.62 -1.18 117.51 118.03 2k0f h ILE 5 Ca -0.14 -0.13 0.13 0.00 1.00 0.00 0.00 64.86 65.72 2k0f h ILE 5 Cb 1.04 0.63 -0.14 0.00 -0.74 0.00 0.00 36.82 37.61 2k0f h ILE 5 CO 0.22 0.07 -0.45 0.00 0.00 0.00 0.00 178.15 177.98 2k0f h ALA 6 N 1.14 -0.11 0.00 1.87 0.00 -1.41 0.35 119.26 121.10 2k0f h ALA 6 Ca 0.12 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2k0f h ALA 6 Cb 0.00 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 6 CO -0.06 -0.75 -0.35 0.93 0.00 0.00 0.00 179.25 179.02 2k0f h GLU 7 N -0.03 0.00 -0.36 0.00 3.07 -0.73 -0.51 114.58 116.02 2k0f h GLU 7 Ca 0.27 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.07 2k0f h GLU 7 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2k0f h GLU 7 CO -0.93 0.35 -0.01 0.74 -1.40 0.00 0.00 179.01 177.75 2k0f h PHE 8 N 0.00 0.70 -0.96 4.33 0.04 -1.09 -0.07 116.94 119.89 2k0f h PHE 8 Ca -0.00 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.65 2k0f h PHE 8 Cb 1.13 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.05 2k0f h PHE 8 CO 0.00 0.75 0.64 -0.22 -0.60 0.00 0.00 178.31 178.88 2k0f h LYS 9 N 0.45 1.26 -0.06 1.51 3.64 -0.23 0.18 116.57 123.32 2k0f h LYS 9 Ca 0.10 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 2k0f h LYS 9 Cb 0.48 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2k0f h LYS 9 CO 0.02 0.83 -0.58 1.49 -2.27 0.00 0.00 179.45 178.94 2k0f h GLU 10 N 1.29 0.19 -0.59 1.90 4.81 -1.03 -2.34 114.58 118.81 2k0f h GLU 10 Ca 0.36 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2k0f h GLU 10 Cb -0.13 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 10 CO -0.08 0.72 0.36 0.00 -0.73 0.00 0.00 179.01 179.28 2k0f h ALA 11 N 1.25 0.77 -0.59 2.92 0.00 -0.63 -0.80 119.26 122.18 2k0f h ALA 11 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 11 Cb 1.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 11 CO 0.09 0.09 0.19 0.35 0.00 0.00 0.00 179.25 179.96 2k0f h PHE 12 N 0.71 0.95 -0.76 0.00 3.57 -0.92 -2.86 116.94 117.62 2k0f h PHE 12 Ca 0.24 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2k0f h PHE 12 Cb 0.03 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.44 2k0f h PHE 12 CO -0.06 0.79 0.45 0.77 -2.23 0.00 0.00 178.31 178.03 2k0f h SER 13 N 0.84 0.68 -0.53 0.41 0.02 -1.01 -2.73 113.55 111.23 2k0f h SER 13 Ca 0.19 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 2k0f h SER 13 Cb 0.29 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2k0f h SER 13 CO -0.01 0.43 0.36 0.25 -1.14 0.00 0.00 176.83 176.72 2k0f h LEU 14 N 0.81 0.34 -0.26 5.07 6.46 -1.06 -2.43 115.31 124.24 2k0f h LEU 14 Ca 0.34 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.90 2k0f h LEU 14 Cb 0.20 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2k0f h LEU 14 CO -0.18 0.21 -0.89 -0.26 -0.62 0.00 0.00 178.44 176.70 2k0f h PHE 15 N 0.38 0.32 -2.88 1.25 0.04 -1.36 -3.46 116.94 111.23 2k0f h PHE 15 Ca 0.24 -0.18 -0.53 0.00 2.80 0.00 0.00 57.97 60.30 2k0f h PHE 15 Cb 0.45 -0.03 0.03 0.00 2.20 0.00 0.00 35.95 38.60 2k0f h PHE 15 CO -0.00 1.00 0.83 0.34 -0.60 0.00 0.00 178.31 179.88 2k0f s ASP 16 N -6.94 6.70 -0.07 2.17 -1.08 -0.92 -4.74 116.67 111.79 2k0f s ASP 16 Ca -0.03 2.45 -0.07 0.00 -0.52 0.00 0.00 52.55 54.39 2k0f s ASP 16 Cb 0.10 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 2k0f s ASP 16 CO 0.83 -0.76 0.28 0.50 0.52 0.00 0.00 175.17 176.54 2k0f h LYS 17 N 7.05 -0.24 0.10 4.34 1.63 -1.87 -3.42 116.57 124.16 2k0f h LYS 17 Ca -0.42 0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.21 2k0f h LYS 17 Cb 1.20 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2k0f h LYS 17 CO 0.90 -0.16 -0.92 0.38 -3.45 0.00 0.00 179.45 176.20 2k0f h ASP 18 N -1.06 0.33 0.00 4.20 3.04 -1.95 -3.49 116.42 117.49 2k0f h ASP 18 Ca -0.02 -0.89 0.00 0.00 -3.24 0.00 0.00 57.03 52.87 2k0f h ASP 18 Cb 0.19 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 2k0f h ASP 18 CO 0.04 1.41 0.00 0.61 -2.04 0.00 0.00 179.24 179.26 2k0f n GLY 19 N 1.66 1.39 0.18 7.15 0.00 -1.26 -5.06 105.19 109.26 2k0f n GLY 19 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.33 0.00 1.61 2.03 -1.97 -3.47 116.42 114.29 2k0f h ASP 20 Ca 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2k0f h ASP 20 Cb 0.00 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2k0f h ASP 20 CO 0.00 -0.12 0.00 0.61 -1.03 0.00 0.00 179.24 178.70 2k0f n GLY 21 N -0.87 1.27 3.25 7.15 0.00 -1.26 -5.10 105.19 109.63 2k0f n GLY 21 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 2.03 -0.09 2.61 -4.23 -1.26 -4.63 115.64 108.07 2k0f s THR 22 Ca 0.00 -1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 59.33 2k0f s THR 22 Cb 0.00 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 72.06 2k0f s THR 22 CO 0.00 0.56 0.34 -0.63 -0.54 0.00 0.00 174.62 174.35 2k0f s ILE 23 N -0.02 5.22 0.22 2.99 1.09 -0.77 -4.97 121.20 124.97 2k0f s ILE 23 Ca -0.08 0.65 0.06 0.00 -1.10 0.00 0.00 60.65 60.18 2k0f s ILE 23 Cb -0.15 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 2k0f s ILE 23 CO 0.05 0.48 0.22 0.42 -0.10 0.00 0.00 174.94 176.00 2k0f s THR 24 N -0.24 4.67 -0.63 2.92 -4.23 -1.26 -2.19 115.64 114.67 2k0f s THR 24 Ca 0.20 -1.19 0.26 0.00 -1.18 0.00 0.00 61.69 59.77 2k0f s THR 24 Cb -0.14 -3.48 0.29 0.00 1.34 0.00 0.00 72.50 70.51 2k0f s THR 24 CO 0.08 -0.26 1.76 0.71 -0.54 0.00 0.00 174.62 176.36 2k0f h THR 25 N 1.59 0.00 0.14 3.99 1.35 -1.97 -1.47 112.91 116.54 2k0f h THR 25 Ca -0.49 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 2k0f h THR 25 Cb 1.22 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2k0f h THR 25 CO 0.62 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.93 2k0f h LYS 26 N 0.00 -0.18 0.00 4.72 1.57 -1.97 -2.49 116.57 118.22 2k0f h LYS 26 Ca 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2k0f h LYS 26 Cb 0.68 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2k0f h LYS 26 CO 0.00 -0.07 -0.39 1.05 -0.57 0.00 0.00 179.45 179.47 2k0f h GLU 27 N -0.26 0.00 -0.32 3.15 4.11 -1.72 -0.02 114.58 119.53 2k0f h GLU 27 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.34 2k0f h GLU 27 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 27 CO 0.03 0.39 -0.08 1.25 0.07 0.00 0.00 179.01 180.68 2k0f h LEU 28 N 0.00 0.62 -0.77 3.06 5.85 -1.42 -2.86 115.31 119.80 2k0f h LEU 28 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k0f h LEU 28 Cb 1.26 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 2k0f h LEU 28 CO 0.05 0.84 0.49 1.23 -0.34 0.00 0.00 178.44 180.71 2k0f h GLY 29 N 0.39 1.09 0.35 3.75 0.00 -0.97 -1.68 103.07 106.00 2k0f h GLY 29 Ca 0.08 -0.42 0.17 0.00 0.00 0.00 0.00 47.33 47.15 2k0f h GLY 29 CO 0.03 0.41 0.60 -0.84 0.00 0.00 0.00 176.54 176.75 2k0f h THR 30 N 1.04 0.77 0.23 4.70 2.02 -1.02 0.14 112.91 120.79 2k0f h THR 30 Ca 0.28 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 2k0f h THR 30 Cb -0.09 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 2k0f h THR 30 CO -0.06 0.13 -0.16 0.58 0.37 0.00 0.00 175.52 176.38 2k0f h VAL 31 N 0.69 0.66 -0.17 3.16 2.07 -1.08 -2.44 116.25 119.14 2k0f h VAL 31 Ca 0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.01 2k0f h VAL 31 Cb 0.85 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2k0f h VAL 31 CO -0.26 0.00 0.08 0.24 0.02 0.00 0.00 177.57 177.65 2k0f h MET 32 N -0.39 0.24 0.00 1.57 2.86 -0.88 -2.64 114.93 115.69 2k0f h MET 32 Ca -0.02 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 32 Cb 0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2k0f h MET 32 CO 0.01 0.27 -0.35 0.00 1.06 0.00 0.00 176.91 177.90 2k0f h ARG 33 N 0.15 0.00 -0.14 1.72 3.08 -0.84 0.21 114.38 118.57 2k0f h ARG 33 Ca 0.06 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 2k0f h ARG 33 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2k0f h ARG 33 CO -0.01 0.35 -0.78 0.66 -1.07 0.00 0.00 179.97 179.13 2k0f h SER 34 N 0.00 0.85 0.25 7.04 4.64 -1.38 -3.34 113.55 121.61 2k0f h SER 34 Ca -0.00 -0.56 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 2k0f h SER 34 Cb 0.63 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2k0f h SER 34 CO 0.05 1.35 -0.12 -0.07 -0.87 0.00 0.00 176.83 177.17 2k0f h LEU 35 N 0.48 -0.28 0.00 5.97 3.38 -1.37 -3.48 115.31 120.01 2k0f h LEU 35 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k0f h LEU 35 Cb 1.40 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2k0f h LEU 35 CO 0.15 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2k0f n GLY 36 N -0.63 -1.80 3.45 0.83 0.00 0.68 -5.10 105.19 102.62 2k0f n GLY 36 Ca -0.04 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 1.39 -0.53 1.61 0.74 -0.75 -4.94 119.66 117.17 2k0f s GLN 37 Ca 0.00 -1.31 0.06 0.00 0.05 0.00 0.00 55.36 54.16 2k0f s GLN 37 Cb 0.00 0.41 0.22 0.00 1.10 0.00 0.00 33.01 34.74 2k0f s GLN 37 CO 0.00 -0.54 0.54 0.09 -0.55 0.00 0.00 175.29 174.83 2k0f n ASN 38 N -0.32 1.59 -4.49 6.67 3.02 -1.26 -4.08 115.26 116.39 2k0f n ASN 38 Ca -0.02 -2.93 -0.29 0.00 -0.03 0.00 0.00 54.58 51.30 2k0f n ASN 38 Cb 0.63 -0.65 0.16 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.32 0.82 0.32 3.52 0.04 -1.26 -5.09 135.00 132.02 2k0f s PRO 39 Ca 0.34 0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.48 2k0f s PRO 39 Cb 0.09 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 2k0f s PRO 39 CO -0.12 -2.36 -0.02 0.95 0.04 0.00 0.00 177.00 175.50 2k0f s THR 40 N -3.47 2.78 -0.04 1.26 -4.23 -1.26 -5.06 115.64 105.62 2k0f s THR 40 Ca 0.67 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.95 2k0f s THR 40 Cb -0.10 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 70.83 2k0f s THR 40 CO 0.53 -0.26 0.93 -0.08 -0.54 0.00 0.00 174.62 175.19 2k0f h GLU 41 N 1.88 -0.22 -0.98 3.99 4.81 -1.97 -0.86 114.58 121.22 2k0f h GLU 41 Ca -0.43 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.94 2k0f h GLU 41 Cb 1.25 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 2k0f h GLU 41 CO 0.64 0.20 0.61 0.00 -0.73 0.00 0.00 179.01 179.73 2k0f h ALA 42 N -0.26 1.47 -0.06 2.92 0.00 -1.98 0.65 119.26 122.00 2k0f h ALA 42 Ca -0.02 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 42 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k0f h ALA 42 CO 0.04 0.19 -0.54 1.49 0.00 0.00 0.00 179.25 180.43 2k0f h GLU 43 N 0.95 0.18 0.01 0.00 4.81 -2.00 0.33 114.58 118.87 2k0f h GLU 43 Ca 0.49 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 43 Cb 0.49 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2k0f h GLU 43 CO -0.27 0.68 -0.92 1.25 -0.73 0.00 0.00 179.01 179.02 2k0f h LEU 44 N 0.14 0.39 -1.25 1.64 5.85 -0.37 -2.61 115.31 119.10 2k0f h LEU 44 Ca 0.00 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 2k0f h LEU 44 Cb 1.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2k0f h LEU 44 CO 0.08 1.13 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.65 2k0f h GLN 45 N 0.16 0.45 -0.15 1.25 5.75 0.48 -2.94 115.11 120.11 2k0f h GLN 45 Ca -0.06 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 2k0f h GLN 45 Cb 1.56 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 2k0f h GLN 45 CO 0.15 0.52 0.07 0.22 -2.65 0.00 0.00 178.83 177.14 2k0f h ASP 46 N 0.43 0.20 -0.70 -0.69 3.58 -0.53 0.83 116.42 119.53 2k0f h ASP 46 Ca 0.09 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.45 2k0f h ASP 46 Cb 0.36 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 2k0f h ASP 46 CO 0.02 0.27 0.46 0.24 -2.88 0.00 0.00 179.24 177.35 2k0f h MET 47 N 0.12 0.83 -0.04 0.28 2.86 -1.56 -2.24 114.93 115.18 2k0f h MET 47 Ca 0.05 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 47 Cb 0.12 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.61 2k0f h MET 47 CO -0.01 0.55 -0.67 0.82 1.06 0.00 0.00 176.91 178.67 2k0f h ILE 48 N 0.85 1.37 -0.49 -1.22 1.08 -1.20 -3.29 117.51 114.62 2k0f h ILE 48 Ca 0.28 -2.03 0.10 0.00 -0.39 0.00 0.00 64.86 62.82 2k0f h ILE 48 Cb 0.05 2.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 2k0f h ILE 48 CO -0.08 0.61 0.34 0.78 -0.69 0.00 0.00 178.15 179.10 2k0f h ASN 49 N 0.09 0.19 -0.23 1.72 2.35 -0.22 -1.58 115.58 117.90 2k0f h ASN 49 Ca -0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2k0f h ASN 49 Cb 1.34 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2k0f h ASN 49 CO 0.13 0.11 0.08 -0.08 -1.65 0.00 0.00 177.43 176.03 2k0f h GLU 50 N 0.21 0.36 -0.51 0.81 4.81 -1.62 -2.96 114.58 115.67 2k0f h GLU 50 Ca 0.23 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 50 Cb 0.62 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 50 CO -0.04 0.43 0.31 0.28 -0.73 0.00 0.00 179.01 179.26 2k0f h VAL 51 N 0.21 1.16 -1.30 0.32 2.07 -1.47 -3.46 116.25 113.78 2k0f h VAL 51 Ca 0.08 -0.35 -0.75 0.00 0.82 0.00 0.00 66.70 66.49 2k0f h VAL 51 Cb 0.22 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2k0f h VAL 51 CO -0.00 0.16 0.96 -0.67 0.02 0.00 0.00 177.57 178.04 2k0f n ASP 52 N -4.68 2.08 0.10 0.57 2.03 -0.80 -4.91 116.55 110.94 2k0f n ASP 52 Ca 0.02 0.99 -0.09 0.00 0.52 0.00 0.00 54.79 56.24 2k0f n ASP 52 Cb 0.05 -1.10 -0.06 0.00 -0.72 0.00 0.00 41.12 39.30 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 7.61 -0.33 0.00 -1.67 0.00 -1.89 -3.40 119.26 119.58 2k0f h ALA 53 Ca -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k0f h ALA 53 Cb 1.33 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2k0f h ALA 53 CO 0.98 -0.36 -0.11 0.38 0.00 0.00 0.00 179.25 180.15 2k0f h ASP 54 N -0.99 0.00 0.00 0.00 3.04 -1.93 -3.49 116.42 113.04 2k0f h ASP 54 Ca -0.03 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2k0f h ASP 54 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 2k0f h ASP 54 CO 0.06 0.54 0.00 0.61 -2.04 0.00 0.00 179.24 178.40 2k0f n GLY 55 N 1.75 1.09 0.10 7.15 0.00 -1.26 -5.06 105.19 108.96 2k0f n GLY 55 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -1.95 -3.48 115.58 110.70 2k0f h ASN 56 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.26 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.05 0.00 0.61 0.07 0.00 0.00 177.43 178.16 2k0f n GLY 57 N 1.25 2.29 3.81 9.14 0.00 -1.26 -5.07 105.19 115.36 2k0f n GLY 57 Ca 0.02 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.66 4.74 -0.42 2.61 -4.23 -1.26 -4.73 115.64 110.69 2k0f s THR 58 Ca 0.00 -0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.62 2k0f s THR 58 Cb 0.00 -3.30 0.02 0.00 1.34 0.00 0.00 72.50 70.56 2k0f s THR 58 CO 0.00 0.11 0.60 -0.51 -0.54 0.00 0.00 174.62 174.28 2k0f s ILE 59 N -1.44 4.89 0.56 2.99 2.07 -0.93 -4.89 121.20 124.45 2k0f s ILE 59 Ca 0.31 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.63 2k0f s ILE 59 Cb -0.12 -4.15 0.03 0.00 0.13 0.00 0.00 42.46 38.35 2k0f s ILE 59 CO 0.24 -0.51 0.81 -1.81 -1.91 0.00 0.00 174.94 171.75 2k0f s ASP 60 N 1.93 5.36 0.14 4.50 1.11 -1.26 -1.85 116.67 126.60 2k0f s ASP 60 Ca 0.21 0.22 -0.22 0.00 0.18 0.00 0.00 52.55 52.93 2k0f s ASP 60 Cb -0.15 -1.16 -0.01 0.00 1.07 0.00 0.00 42.92 42.68 2k0f s ASP 60 CO 0.17 -1.11 1.65 0.15 1.18 0.00 0.00 175.17 177.21 2k0f h PHE 61 N -0.00 -0.47 0.00 4.23 3.57 -1.97 0.14 116.94 122.43 2k0f h PHE 61 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.29 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2k0f h PHE 61 CO 0.39 -0.26 0.00 -0.35 -2.23 0.00 0.00 178.31 175.87 2k0f n PRO 62 N -5.33 0.05 0.02 6.41 -0.04 -1.26 -1.92 135.00 132.93 2k0f n PRO 62 Ca -0.02 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.49 2k0f n PRO 62 Cb 0.24 -1.59 -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 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.41 -0.38 0.54 5.08 -1.73 -2.18 114.58 116.31 2k0f h GLU 63 Ca 0.00 -0.49 0.08 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 63 Cb 0.35 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 63 CO 0.00 1.15 -0.29 0.35 -1.00 0.00 0.00 179.01 179.22 2k0f h PHE 64 N -0.12 -0.79 -0.75 4.33 3.57 -0.05 -1.32 116.94 121.81 2k0f h PHE 64 Ca -0.10 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 64 Cb 1.42 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 40.51 2k0f h PHE 64 CO 0.15 -0.36 0.43 -0.07 -2.23 0.00 0.00 178.31 176.24 2k0f h LEU 65 N -0.23 0.64 -1.25 0.59 3.38 -1.52 -2.85 115.31 114.06 2k0f h LEU 65 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2k0f h LEU 65 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k0f h LEU 65 CO -0.51 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.42 2k0f h THR 66 N 0.78 0.00 0.18 0.22 1.03 -0.58 -1.08 112.91 113.46 2k0f h THR 66 Ca 0.34 -0.48 -0.01 0.00 -0.01 0.00 0.00 66.41 66.25 2k0f h THR 66 Cb 0.23 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 2k0f h THR 66 CO -0.20 0.00 -0.09 -0.03 -0.01 0.00 0.00 175.52 175.19 2k0f h MET 67 N 0.00 -0.24 0.00 0.00 1.85 -1.20 -3.33 114.93 112.01 2k0f h MET 67 Ca 0.00 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2k0f h MET 67 Cb 0.51 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.59 2k0f h MET 67 CO 0.00 0.17 -0.02 0.52 -0.40 0.00 0.00 176.91 177.18 2k0f h MET 68 N -0.77 0.00 0.00 0.39 2.07 -1.23 -2.31 114.93 113.08 2k0f h MET 68 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2k0f h MET 68 Cb 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.25 2k0f h MET 68 CO 0.04 0.02 -0.29 0.00 1.07 0.00 0.00 176.91 177.75 2k0f h ALA 69 N 1.98 0.85 -2.31 6.32 0.00 -1.38 -3.46 119.26 121.26 2k0f h ALA 69 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 69 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k0f h ALA 69 CO 0.00 0.00 1.09 -2.13 0.00 0.00 0.00 179.25 178.22 2k0f n ARG 70 N -2.92 2.56 -3.41 0.00 0.63 -0.87 -5.01 116.66 107.65 2k0f n ARG 70 Ca 0.03 0.94 -0.37 0.00 -0.92 0.00 0.00 57.85 57.52 2k0f n ARG 70 Cb 0.53 -2.81 -0.06 0.00 0.45 0.00 0.00 32.46 30.56 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k0f s LYS 71 N 3.20 4.24 0.15 -0.14 2.20 -1.26 -5.07 119.74 123.05 2k0f s LYS 71 Ca 0.86 0.35 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 2k0f s LYS 71 Cb -0.55 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 2k0f s LYS 71 CO 0.42 0.28 0.14 -1.64 -0.36 0.00 0.00 175.35 174.19 2k0f s MET 72 N 0.28 2.95 0.64 4.03 -1.94 -1.26 -5.11 119.30 118.89 2k0f s MET 72 Ca 0.23 -0.81 -0.12 0.00 -1.71 0.00 0.00 55.69 53.28 2k0f s MET 72 Cb -0.15 -2.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 2k0f s MET 72 CO 0.09 0.50 1.04 -1.59 -0.01 0.00 0.00 175.02 175.06 2k0f s LYS 73 N -2.99 3.31 0.57 2.03 -2.85 -1.26 -4.68 119.74 113.87 2k0f s LYS 73 Ca 0.31 0.93 0.26 0.00 -1.00 0.00 0.00 55.97 56.47 2k0f s LYS 73 Cb -0.11 -2.04 1.59 0.00 -2.06 0.00 0.00 37.83 35.21 2k0f s LYS 73 CO 0.24 -0.80 2.13 -0.44 0.10 0.00 0.00 175.35 176.58 2k0f h ASP 74 N -0.23 0.00 0.22 0.03 3.32 -1.99 0.05 116.42 117.82 2k0f h ASP 74 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 2k0f h ASP 74 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2k0f h ASP 74 CO 0.59 0.00 -0.11 0.71 -1.72 0.00 0.00 179.24 178.71 2k0f h THR 75 N 0.00 0.85 -0.46 0.35 1.35 -2.01 -2.82 112.91 110.17 2k0f h THR 75 Ca 0.07 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2k0f h THR 75 Cb 0.37 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 2k0f h THR 75 CO -0.00 0.09 0.23 0.44 -0.25 0.00 0.00 175.52 176.03 2k0f h ASP 76 N -0.51 0.59 -0.01 5.36 3.32 -1.49 -3.34 116.42 120.35 2k0f h ASP 76 Ca -0.03 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.93 2k0f h ASP 76 Cb 0.38 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2k0f h ASP 76 CO 0.05 0.54 -0.21 -1.28 -1.72 0.00 0.00 179.24 176.62 2k0f h SER 77 N 0.60 -0.62 -0.83 6.45 0.87 -1.08 -3.14 113.55 115.80 2k0f h SER 77 Ca 0.16 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.94 2k0f h SER 77 Cb 0.10 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.23 2k0f h SER 77 CO -0.02 -0.28 0.42 -0.08 -0.53 0.00 0.00 176.83 176.34 2k0f h GLU 78 N -0.33 0.61 -0.50 2.24 4.81 -1.61 -1.63 114.58 118.16 2k0f h GLU 78 Ca 0.06 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 78 Cb 0.42 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 78 CO -0.20 0.40 0.06 1.49 -0.73 0.00 0.00 179.01 180.03 2k0f h GLU 79 N 0.62 0.80 -0.30 1.92 4.81 -1.71 0.85 114.58 121.58 2k0f h GLU 79 Ca 0.44 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 79 Cb 0.59 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2k0f h GLU 79 CO -0.34 0.76 0.08 0.93 -0.73 0.00 0.00 179.01 179.71 2k0f h GLU 80 N 0.76 0.47 -0.18 1.92 5.08 -1.37 -2.83 114.58 118.42 2k0f h GLU 80 Ca 0.16 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 80 Cb 0.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 80 CO 0.01 0.54 -0.01 0.82 -1.00 0.00 0.00 179.01 179.37 2k0f h ILE 81 N 0.32 1.26 -0.45 3.13 2.04 -1.10 0.13 117.51 122.85 2k0f h ILE 81 Ca 0.09 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2k0f h ILE 81 Cb 0.27 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2k0f h ILE 81 CO -0.00 0.27 0.11 0.03 0.00 0.00 0.00 178.15 178.56 2k0f h ARG 82 N 0.08 0.67 0.00 2.37 3.08 -0.92 0.60 114.38 120.26 2k0f h ARG 82 Ca 0.05 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2k0f h ARG 82 Cb 0.41 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2k0f h ARG 82 CO 0.01 0.62 -0.48 0.93 -1.07 0.00 0.00 179.97 179.98 2k0f h GLU 83 N 0.66 0.00 -0.18 0.04 4.39 -1.31 -1.64 114.58 116.53 2k0f h GLU 83 Ca 0.15 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 2k0f h GLU 83 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k0f h GLU 83 CO -0.00 0.48 -0.45 0.00 -1.16 0.00 0.00 179.01 177.87 2k0f h ALA 84 N 1.52 0.88 -0.08 3.43 0.00 -0.54 -2.68 119.26 121.79 2k0f h ALA 84 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 84 Cb 1.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k0f h ALA 84 CO 0.06 0.65 -0.62 0.35 0.00 0.00 0.00 179.25 179.70 2k0f h PHE 85 N 0.37 0.37 0.00 0.00 3.57 -0.64 -3.15 116.94 117.46 2k0f h PHE 85 Ca 0.02 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 85 Cb 0.94 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 85 CO 0.03 0.83 0.00 -0.09 -2.23 0.00 0.00 178.31 176.85 2k0f h ARG 86 N 0.21 0.00 -0.69 1.11 2.43 -1.08 -0.06 114.38 116.30 2k0f h ARG 86 Ca -0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2k0f h ARG 86 Cb 1.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2k0f h ARG 86 CO 0.10 0.00 0.20 0.28 -1.51 0.00 0.00 179.97 179.03 2k0f h VAL 87 N 0.00 1.25 0.00 0.20 2.07 -1.44 -3.39 116.25 114.95 2k0f h VAL 87 Ca 0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2k0f h VAL 87 Cb 0.75 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k0f h VAL 87 CO 0.00 0.35 -0.03 -0.26 0.02 0.00 0.00 177.57 177.65 2k0f h PHE 88 N 1.03 0.00 -2.69 1.57 0.04 -1.38 -3.45 116.94 112.06 2k0f h PHE 88 Ca 0.22 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.45 2k0f h PHE 88 Cb 0.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.47 2k0f h PHE 88 CO 0.02 0.00 1.01 0.34 -0.60 0.00 0.00 178.31 179.08 2k0f s ASP 89 N -5.11 6.67 -0.23 2.17 2.15 -0.12 -4.66 116.67 117.54 2k0f s ASP 89 Ca -0.01 2.33 -0.18 0.00 0.43 0.00 0.00 52.55 55.12 2k0f s ASP 89 Cb 0.00 -2.55 -0.14 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.01 -0.88 -0.07 0.29 -0.17 0.00 0.00 175.17 174.36 2k0f n LYS 90 N 6.20 0.56 0.32 4.34 4.76 -1.26 -4.70 118.16 128.38 2k0f n LYS 90 Ca 0.16 0.43 -0.12 0.00 -2.87 0.00 0.00 58.31 55.91 2k0f n LYS 90 Cb 0.42 -1.63 -0.06 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.00 -0.68 0.00 4.39 3.04 -1.94 -3.48 116.42 116.74 2k0f h ASP 91 Ca -0.44 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 2k0f h ASP 91 Cb 1.35 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.82 2k0f h ASP 91 CO -0.27 -0.46 0.00 0.61 -2.04 0.00 0.00 179.24 177.08 2k0f n GLY 92 N -1.15 -0.21 0.15 7.15 0.00 -1.26 -5.02 105.19 104.84 2k0f n GLY 92 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 7.08 -1.97 -3.48 115.58 118.82 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.55 0.00 0.61 -2.08 0.00 0.00 177.43 176.51 2k0f n GLY 94 N 0.09 0.72 2.86 9.14 0.00 -1.26 -5.08 105.19 111.65 2k0f n GLY 94 Ca -0.01 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.95 -0.26 1.61 2.02 -1.26 -4.17 117.35 114.24 2k0f s TYR 95 Ca 0.00 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 2k0f s TYR 95 Cb 0.00 -0.89 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2k0f s TYR 95 CO 0.00 -0.33 1.47 0.42 -1.57 0.00 0.00 175.55 175.54 2k0f s ILE 96 N 1.51 3.89 0.58 2.71 1.01 -0.50 -4.75 121.20 125.65 2k0f s ILE 96 Ca -0.01 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.72 2k0f s ILE 96 Cb -0.13 -3.92 0.08 0.00 0.01 0.00 0.00 42.46 38.50 2k0f s ILE 96 CO -0.04 -0.39 0.65 -1.54 0.00 0.00 0.00 174.94 173.62 2k0f n SER 97 N 8.11 2.43 0.08 3.58 3.41 -1.26 -1.41 113.62 128.55 2k0f n SER 97 Ca 0.17 -2.72 -0.11 0.00 -0.26 0.00 0.00 58.87 55.95 2k0f n SER 97 Cb 0.46 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N 0.35 0.42 -0.29 7.33 0.00 -1.95 -1.08 119.26 124.04 2k0f h ALA 98 Ca -0.31 -0.74 0.01 0.00 0.00 0.00 0.00 54.91 53.88 2k0f h ALA 98 Cb 1.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k0f h ALA 98 CO 0.46 0.89 0.16 0.00 0.00 0.00 0.00 179.25 180.76 2k0f h ALA 99 N 0.85 0.35 -0.02 0.00 0.00 -2.00 -2.52 119.26 115.93 2k0f h ALA 99 Ca -0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 99 Cb 1.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2k0f h ALA 99 CO 0.15 -0.22 -0.81 0.93 0.00 0.00 0.00 179.25 179.30 2k0f h GLU 100 N 0.33 0.23 0.00 0.00 5.08 -1.78 -2.96 114.58 115.49 2k0f h GLU 100 Ca 0.11 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 100 Cb 0.01 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 100 CO -0.06 0.92 -0.00 1.25 -1.00 0.00 0.00 179.01 180.12 2k0f h LEU 101 N 0.14 -0.00 -0.70 1.33 5.85 -1.16 -2.80 115.31 117.98 2k0f h LEU 101 Ca -0.04 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.63 2k0f h LEU 101 Cb 1.41 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.32 2k0f h LEU 101 CO 0.13 0.15 -0.44 -0.09 -0.34 0.00 0.00 178.44 177.85 2k0f h ARG 102 N -0.15 -0.15 -0.52 1.25 2.43 -1.40 -1.75 114.38 114.08 2k0f h ARG 102 Ca -0.00 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 102 Cb 0.15 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2k0f h ARG 102 CO 0.00 -0.10 0.12 0.45 -1.51 0.00 0.00 179.97 178.93 2k0f h HIS 103 N -0.16 0.82 -0.43 2.20 3.86 -1.49 -2.57 115.15 117.38 2k0f h HIS 103 Ca 0.21 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.25 2k0f h HIS 103 Cb 0.55 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2k0f h HIS 103 CO -0.77 0.70 -0.12 0.28 0.86 0.00 0.00 177.93 178.88 2k0f h VAL 104 N 0.77 1.26 0.01 2.45 2.07 -1.10 -2.52 116.25 119.18 2k0f h VAL 104 Ca 0.17 -1.19 -0.19 0.00 0.82 0.00 0.00 66.70 66.31 2k0f h VAL 104 Cb 0.30 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2k0f h VAL 104 CO -0.00 0.41 -0.90 0.24 0.02 0.00 0.00 177.57 177.34 2k0f h MET 105 N 0.71 0.03 -0.66 1.57 2.86 -1.22 -2.80 114.93 115.42 2k0f h MET 105 Ca 0.12 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2k0f h MET 105 Cb 0.60 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 105 CO 0.04 0.90 0.43 1.15 1.06 0.00 0.00 176.91 180.49 2k0f h THR 106 N 0.01 1.13 -0.56 2.22 2.02 -1.33 -0.73 112.91 115.68 2k0f h THR 106 Ca -0.02 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 2k0f h THR 106 Cb 1.57 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2k0f h THR 106 CO 0.12 0.16 0.10 0.78 0.37 0.00 0.00 175.52 177.04 2k0f h ASN 107 N 0.86 0.88 0.66 4.18 4.21 -1.39 -1.34 115.58 123.64 2k0f h ASN 107 Ca 0.25 -0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2k0f h ASN 107 Cb -0.05 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 36.91 2k0f h ASN 107 CO -0.07 0.91 0.00 0.18 -1.29 0.00 0.00 177.43 177.16 2k0f n LEU 108 N -4.35 0.00 0.00 1.61 4.77 -1.06 -4.90 117.00 113.06 2k0f n LEU 108 Ca 0.02 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2k0f n LEU 108 Cb 0.26 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2k0f n LEU 108 CO 0.41 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2k0f n GLY 109 N 0.77 0.82 3.70 -0.72 0.00 -0.40 -4.88 105.19 104.48 2k0f n GLY 109 Ca 0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.66 4.49 -0.59 1.61 0.41 -0.48 -4.94 118.70 118.54 2k0f s GLU 110 Ca 0.00 1.45 -0.03 0.00 -0.41 0.00 0.00 54.97 55.98 2k0f s GLU 110 Cb 0.00 -3.48 0.18 0.00 -1.78 0.00 0.00 34.13 29.04 2k0f s GLU 110 CO 0.00 -0.17 2.47 1.63 -0.49 0.00 0.00 175.26 178.70 2k0f n LYS 111 N 4.33 2.51 -3.65 1.61 5.02 -1.26 -4.19 118.16 122.53 2k0f n LYS 111 Ca 0.07 -2.76 -0.23 0.00 -2.02 0.00 0.00 58.31 53.38 2k0f n LYS 111 Cb 0.50 -2.18 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 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 -2.88 4.16 0.66 -0.35 2.34 -1.26 -5.11 118.68 116.24 2k0f s LEU 112 Ca 0.56 0.28 0.05 0.00 0.06 0.00 0.00 54.13 55.07 2k0f s LEU 112 Cb 0.40 -3.11 0.12 0.00 -0.56 0.00 0.00 46.19 43.04 2k0f s LEU 112 CO -0.28 -0.19 0.91 0.42 -1.06 0.00 0.00 176.35 176.15 2k0f s THR 113 N -2.15 2.08 0.13 5.48 -4.23 -1.26 -5.00 115.64 110.69 2k0f s THR 113 Ca 0.37 -0.80 0.21 0.00 -1.18 0.00 0.00 61.69 60.29 2k0f s THR 113 Cb -0.09 -2.28 0.18 0.00 1.34 0.00 0.00 72.50 71.65 2k0f s THR 113 CO 0.33 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.61 2k0f h ASP 114 N -0.21 0.00 -0.50 3.99 3.32 -1.99 -2.87 116.42 118.16 2k0f h ASP 114 Ca -0.32 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.82 2k0f h ASP 114 Cb 1.28 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.75 2k0f h ASP 114 CO 0.39 0.30 0.05 -0.33 -1.72 0.00 0.00 179.24 177.93 2k0f h GLU 115 N 0.00 0.16 -0.27 3.56 3.07 -1.98 0.26 114.58 119.38 2k0f h GLU 115 Ca -0.00 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 2k0f h GLU 115 Cb 0.85 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2k0f h GLU 115 CO 0.04 0.11 -0.37 0.93 -1.40 0.00 0.00 179.01 178.32 2k0f h GLU 116 N 0.17 0.73 0.94 2.33 4.39 -1.90 -0.19 114.58 121.04 2k0f h GLU 116 Ca 0.25 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 2k0f h GLU 116 Cb 0.36 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2k0f h GLU 116 CO -0.37 1.04 -0.47 0.28 -1.16 0.00 0.00 179.01 178.33 2k0f h VAL 117 N 0.46 0.04 -0.25 3.13 2.07 -1.40 -1.90 116.25 118.40 2k0f h VAL 117 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 2k0f h VAL 117 Cb 0.96 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2k0f h VAL 117 CO 0.09 0.00 -0.15 -0.78 0.02 0.00 0.00 177.57 176.74 2k0f h ASP 118 N -1.29 -0.50 -0.73 0.57 3.58 -0.38 -2.13 116.42 115.55 2k0f h ASP 118 Ca -0.13 0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.53 2k0f h ASP 118 Cb 1.00 0.26 -0.12 0.00 1.72 0.00 0.00 39.33 42.19 2k0f h ASP 118 CO 0.20 -0.19 -0.45 -0.08 -2.88 0.00 0.00 179.24 175.83 2k0f h GLU 119 N -0.13 -0.14 -0.23 0.28 4.81 -1.09 -2.53 114.58 115.54 2k0f h GLU 119 Ca 0.14 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 119 Cb 0.34 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 119 CO -0.33 -0.10 -0.49 0.52 -0.73 0.00 0.00 179.01 177.88 2k0f h MET 120 N -0.15 0.63 -0.53 1.92 2.86 -0.76 -2.34 114.93 116.56 2k0f h MET 120 Ca 0.21 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 2k0f h MET 120 Cb 0.55 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2k0f h MET 120 CO -0.79 0.98 0.02 0.82 1.06 0.00 0.00 176.91 179.00 2k0f h ILE 121 N 0.50 1.25 -0.18 -1.22 1.08 -1.29 -2.46 117.51 115.20 2k0f h ILE 121 Ca 0.02 -1.03 -0.12 0.00 -0.39 0.00 0.00 64.86 63.34 2k0f h ILE 121 Cb 1.04 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 2k0f h ILE 121 CO 0.10 0.37 -0.40 0.03 -0.69 0.00 0.00 178.15 177.56 2k0f h ARG 122 N 0.82 0.40 -0.67 2.37 3.08 -1.01 -0.43 114.38 118.93 2k0f h ARG 122 Ca 0.16 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2k0f h ARG 122 Cb 0.46 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2k0f h ARG 122 CO 0.02 0.74 0.36 1.49 -1.07 0.00 0.00 179.97 181.50 2k0f h GLU 123 N 0.33 0.94 0.07 0.04 4.81 -1.37 -3.34 114.58 116.06 2k0f h GLU 123 Ca 0.03 -0.12 -0.25 0.00 -0.13 0.00 0.00 59.36 58.90 2k0f h GLU 123 Cb 0.85 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 123 CO 0.07 0.72 -1.02 0.00 -0.73 0.00 0.00 179.01 178.05 2k0f h ALA 124 N 1.17 0.03 -2.90 2.92 0.00 -0.67 -3.44 119.26 116.38 2k0f h ALA 124 Ca 0.23 -0.70 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 2k0f h ALA 124 Cb 0.06 0.08 0.10 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 124 CO -0.04 0.58 0.80 0.34 0.00 0.00 0.00 179.25 180.93 2k0f s ASP 125 N -7.20 6.38 -0.25 0.00 2.15 -0.32 -4.78 116.67 112.65 2k0f s ASP 125 Ca -0.11 2.99 -0.15 0.00 0.43 0.00 0.00 52.55 55.72 2k0f s ASP 125 Cb 0.05 -2.66 -0.10 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 125 CO 0.90 -0.86 -0.35 -0.38 -0.17 0.00 0.00 175.17 174.30 2k0f n ILE 126 N 1.01 1.52 0.02 4.11 5.41 -1.26 -4.78 119.36 125.38 2k0f n ILE 126 Ca 0.03 -0.24 -0.19 0.00 1.00 0.00 0.00 62.75 63.35 2k0f n ILE 126 Cb 0.39 -2.01 -0.11 0.00 -0.71 0.00 0.00 39.64 37.20 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 0.73 0.00 4.38 3.04 -1.92 -3.48 116.42 118.16 2k0f h ASP 127 Ca -0.51 -0.75 0.00 0.00 -3.24 0.00 0.00 57.03 52.53 2k0f h ASP 127 Cb 1.44 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2k0f h ASP 127 CO -0.31 1.38 0.00 0.61 -2.04 0.00 0.00 179.24 178.88 2k0f n GLY 128 N 1.07 0.53 0.25 7.15 0.00 -1.26 -5.01 105.19 107.92 2k0f n GLY 128 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.97 -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 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 130 N 0.40 0.75 3.32 7.15 0.00 -1.26 -5.05 105.19 110.49 2k0f n GLY 130 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.41 3.06 -0.33 1.61 -0.21 -1.26 -4.74 119.66 117.38 2k0f s GLN 131 Ca 0.00 -0.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 2k0f s GLN 131 Cb 0.00 -2.43 0.01 0.00 1.00 0.00 0.00 33.01 31.59 2k0f s GLN 131 CO 0.00 0.27 0.16 0.08 -2.12 0.00 0.00 175.29 173.68 2k0f s VAL 132 N 0.16 4.52 0.79 1.09 1.01 -0.50 -4.85 120.40 122.61 2k0f s VAL 132 Ca -0.10 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2k0f s VAL 132 Cb -0.16 -3.38 0.11 0.00 0.00 0.00 0.00 36.38 32.96 2k0f s VAL 132 CO 0.06 -0.03 1.11 0.54 0.00 0.00 0.00 175.10 176.77 2k0f s ASN 133 N 1.58 4.23 0.12 3.32 2.20 -1.26 -1.41 114.94 123.73 2k0f s ASN 133 Ca 0.03 0.27 -0.25 0.00 -0.94 0.00 0.00 52.86 51.97 2k0f s ASN 133 Cb -0.18 -0.68 -0.05 0.00 -2.00 0.00 0.00 41.25 38.33 2k0f s ASN 133 CO 0.06 -1.98 1.65 0.22 -2.94 0.00 0.00 177.10 174.11 2k0f h TYR 134 N -0.90 -0.54 -0.18 1.54 3.20 -1.98 -2.75 116.97 115.35 2k0f h TYR 134 Ca -0.43 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.40 2k0f h TYR 134 Cb 1.29 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 2k0f h TYR 134 CO -0.18 -0.29 -0.15 0.93 -1.64 0.00 0.00 178.16 176.83 2k0f h GLU 135 N -0.33 0.30 -0.75 1.82 5.08 -1.96 -0.09 114.58 118.66 2k0f h GLU 135 Ca 0.06 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 135 Cb 0.41 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 135 CO -0.19 0.46 0.46 0.93 -1.00 0.00 0.00 179.01 179.66 2k0f h GLU 136 N 0.28 0.84 -0.12 2.33 5.08 -1.91 -2.87 114.58 118.22 2k0f h GLU 136 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 136 Cb 0.44 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 136 CO 0.03 0.56 -0.01 0.35 -1.00 0.00 0.00 179.01 178.93 2k0f h PHE 137 N 0.87 0.24 -0.62 4.33 3.57 -0.93 -0.17 116.94 124.22 2k0f h PHE 137 Ca 0.31 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.88 2k0f h PHE 137 Cb 0.09 -0.06 -0.12 0.00 2.79 0.00 0.00 35.95 38.65 2k0f h PHE 137 CO -0.05 0.49 -0.30 0.28 -2.23 0.00 0.00 178.31 176.50 2k0f h VAL 138 N -0.08 0.19 0.08 1.41 2.07 -1.08 0.16 116.25 119.00 2k0f h VAL 138 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2k0f h VAL 138 Cb 0.40 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2k0f h VAL 138 CO 0.01 0.00 -0.04 -0.61 0.02 0.00 0.00 177.57 176.95 2k0f h GLN 139 N -0.13 -0.11 -0.16 1.57 4.15 -1.45 -1.43 115.11 117.56 2k0f h GLN 139 Ca 0.26 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.73 2k0f h GLN 139 Cb 0.55 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 2k0f h GLN 139 CO -0.70 0.19 -0.33 1.98 -1.93 0.00 0.00 178.83 178.04 2k0f h MET 140 N -0.41 -0.38 0.21 1.69 4.05 -0.58 -3.34 114.93 116.19 2k0f h MET 140 Ca -0.01 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2k0f h MET 140 Cb 0.35 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2k0f h MET 140 CO 0.02 -0.25 -0.10 1.98 0.23 0.00 0.00 176.91 178.79 2k0f h MET 141 N -0.39 -0.28 -0.01 0.39 1.85 -0.63 -3.50 114.93 112.36 2k0f h MET 141 Ca 0.10 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 2k0f h MET 141 Cb 0.55 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.65 2k0f h MET 141 CO -0.38 -0.19 0.00 0.25 -0.40 0.00 0.00 176.91 176.20