#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.00 -4.51 1.09 1.02 -1.26 -5.12 120.64 111.86 2k0f n GLU 2 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2k0f n GLU 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k0f s GLU 3 N 0.97 1.82 -0.20 3.49 -1.05 -1.26 -5.11 118.70 117.35 2k0f s GLU 3 Ca 0.00 -2.07 -0.18 0.00 -0.15 0.00 0.00 54.97 52.57 2k0f s GLU 3 Cb 0.00 -0.85 -0.15 0.00 -0.44 0.00 0.00 34.13 32.69 2k0f s GLU 3 CO 0.00 -0.32 0.06 1.04 0.95 0.00 0.00 175.26 177.00 2k0f n GLN 4 N -0.84 0.55 0.05 -4.83 6.02 -1.26 -4.03 117.38 113.05 2k0f n GLN 4 Ca -0.05 0.52 -0.15 0.00 -0.01 0.00 0.00 57.00 57.31 2k0f n GLN 4 Cb 0.66 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2k0f h ILE 5 N -1.00 0.00 -0.06 5.09 1.08 -1.99 0.11 117.51 120.74 2k0f h ILE 5 Ca -0.32 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 2k0f h ILE 5 Cb 1.19 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2k0f h ILE 5 CO -0.19 0.00 -0.00 0.00 -0.69 0.00 0.00 178.15 177.26 2k0f h ALA 6 N -0.47 1.89 0.20 1.87 0.00 -1.98 0.17 119.26 120.94 2k0f h ALA 6 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 6 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 6 CO -0.34 0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.39 2k0f h GLU 7 N 0.08 -0.26 0.00 0.00 4.81 -1.58 -2.54 114.58 115.09 2k0f h GLU 7 Ca 0.02 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 7 Cb 0.06 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2k0f h GLU 7 CO 0.00 0.00 -0.56 0.74 -0.73 0.00 0.00 179.01 178.46 2k0f h PHE 8 N -0.51 0.00 0.11 0.92 0.04 -0.29 -1.30 116.94 115.91 2k0f h PHE 8 Ca -0.03 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.46 2k0f h PHE 8 Cb 0.39 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.56 2k0f h PHE 8 CO 0.00 0.56 -1.18 -0.22 -0.60 0.00 0.00 178.31 176.88 2k0f h LYS 9 N 0.00 0.61 -0.59 1.51 3.64 -0.68 -0.52 116.57 120.54 2k0f h LYS 9 Ca -0.01 -0.80 -0.10 0.00 -1.27 0.00 0.00 60.65 58.48 2k0f h LYS 9 Cb 1.10 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2k0f h LYS 9 CO 0.07 1.36 -0.01 0.93 -2.27 0.00 0.00 179.45 179.53 2k0f h GLU 10 N 0.23 1.04 -0.08 1.90 5.08 -1.45 -0.98 114.58 120.32 2k0f h GLU 10 Ca -0.18 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 10 Cb 1.86 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 2k0f h GLU 10 CO 0.23 1.03 0.07 0.00 -1.00 0.00 0.00 179.01 179.34 2k0f h ALA 11 N 0.98 1.78 0.01 3.43 0.00 -1.25 -2.32 119.26 121.89 2k0f h ALA 11 Ca 0.17 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2k0f h ALA 11 Cb 0.56 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 11 CO 0.03 -0.11 -0.50 0.35 0.00 0.00 0.00 179.25 179.01 2k0f h PHE 12 N 0.00 0.48 0.00 0.00 3.57 -0.88 -3.37 116.94 116.74 2k0f h PHE 12 Ca 0.04 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2k0f h PHE 12 Cb 0.18 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2k0f h PHE 12 CO 0.00 1.10 0.00 1.03 -2.23 0.00 0.00 178.31 178.21 2k0f h SER 13 N -0.28 0.00 0.24 0.41 0.87 -0.61 -0.10 113.55 114.09 2k0f h SER 13 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2k0f h SER 13 Cb 1.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2k0f h SER 13 CO 0.10 0.00 -0.04 0.25 -0.53 0.00 0.00 176.83 176.60 2k0f h LEU 14 N 0.00 0.00 0.00 2.23 5.85 -1.69 -3.37 115.31 118.33 2k0f h LEU 14 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 2k0f h LEU 14 Cb 0.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2k0f h LEU 14 CO 0.00 0.04 -1.70 0.49 -0.34 0.00 0.00 178.44 176.93 2k0f n PHE 15 N -3.48 0.25 -1.85 1.25 3.01 -0.10 -4.88 117.46 111.66 2k0f n PHE 15 Ca -0.02 0.11 -0.41 0.00 1.01 0.00 0.00 57.45 58.14 2k0f n PHE 15 Cb 0.16 -0.85 -0.03 0.00 -0.01 0.00 0.00 39.48 38.75 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k0f s ASP 16 N -6.76 5.43 -0.10 4.37 2.15 -0.91 -4.74 116.67 116.11 2k0f s ASP 16 Ca -0.32 1.21 -0.16 0.00 0.43 0.00 0.00 52.55 53.71 2k0f s ASP 16 Cb 0.09 -2.52 -0.27 0.00 -0.30 0.00 0.00 42.92 39.92 2k0f s ASP 16 CO 0.46 -2.09 0.56 0.11 -0.17 0.00 0.00 175.17 174.04 2k0f h LYS 17 N 14.87 0.25 0.22 4.34 1.79 -1.88 -3.34 116.57 132.81 2k0f h LYS 17 Ca -0.32 -0.42 -0.01 0.00 -2.18 0.00 0.00 60.65 57.72 2k0f h LYS 17 Cb 1.20 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2k0f h LYS 17 CO 1.07 1.20 -0.10 0.38 -1.08 0.00 0.00 179.45 180.92 2k0f h ASP 18 N -0.30 -0.25 0.00 0.86 3.04 -1.94 -3.48 116.42 114.35 2k0f h ASP 18 Ca -0.30 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 2k0f h ASP 18 Cb 1.76 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.12 2k0f h ASP 18 CO 0.06 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 2k0f n GLY 19 N 0.44 1.75 0.16 7.15 0.00 -1.26 -5.05 105.19 108.38 2k0f n GLY 19 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.52 0.00 1.61 2.03 -1.94 -3.47 116.42 115.18 2k0f h ASP 20 Ca 0.00 -0.41 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2k0f h ASP 20 Cb 0.00 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 2k0f h ASP 20 CO 0.00 1.21 0.00 0.61 -1.03 0.00 0.00 179.24 180.03 2k0f n GLY 21 N 0.92 0.16 3.21 7.15 0.00 -1.26 -5.12 105.19 110.26 2k0f n GLY 21 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.87 2.04 -0.62 2.61 -4.23 -1.26 -4.07 115.64 109.24 2k0f s THR 22 Ca 0.00 -1.01 -0.27 0.00 -1.18 0.00 0.00 61.69 59.23 2k0f s THR 22 Cb 0.00 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.11 2k0f s THR 22 CO 0.00 0.56 1.17 -0.63 -0.54 0.00 0.00 174.62 175.17 2k0f s ILE 23 N 0.38 4.01 0.91 2.99 1.01 -0.69 -4.81 121.20 125.00 2k0f s ILE 23 Ca -0.18 0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.97 2k0f s ILE 23 Cb -0.18 -4.74 0.14 0.00 0.01 0.00 0.00 42.46 37.69 2k0f s ILE 23 CO 0.08 -1.44 1.17 0.42 0.00 0.00 0.00 174.94 175.18 2k0f s THR 24 N 4.95 1.97 0.25 2.92 -4.23 -1.26 -2.76 115.64 117.48 2k0f s THR 24 Ca 0.38 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 2k0f s THR 24 Cb -0.09 -2.84 0.25 0.00 1.34 0.00 0.00 72.50 71.16 2k0f s THR 24 CO 0.21 0.00 1.92 0.71 -0.54 0.00 0.00 174.62 176.92 2k0f h THR 25 N -1.47 1.24 0.00 3.99 1.35 -1.94 -0.09 112.91 115.98 2k0f h THR 25 Ca -0.48 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 2k0f h THR 25 Cb 1.31 -0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2k0f h THR 25 CO 0.58 0.24 -0.16 0.50 -0.25 0.00 0.00 175.52 176.43 2k0f h LYS 26 N 1.30 0.00 -0.04 4.72 3.64 -1.98 -0.71 116.57 123.51 2k0f h LYS 26 Ca 0.36 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.54 2k0f h LYS 26 Cb -0.13 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2k0f h LYS 26 CO -0.08 0.16 -0.74 0.93 -2.27 0.00 0.00 179.45 177.44 2k0f h GLU 27 N 0.00 0.58 -0.39 1.90 5.08 -1.68 0.73 114.58 120.79 2k0f h GLU 27 Ca -0.00 -0.56 0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2k0f h GLU 27 Cb 0.62 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2k0f h GLU 27 CO 0.02 1.18 0.26 1.25 -1.00 0.00 0.00 179.01 180.72 2k0f h LEU 28 N 0.18 0.40 0.57 1.33 5.85 -0.91 -2.87 115.31 119.87 2k0f h LEU 28 Ca -0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2k0f h LEU 28 Cb 1.41 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.35 2k0f h LEU 28 CO 0.15 0.28 -0.28 1.23 -0.34 0.00 0.00 178.44 179.49 2k0f h GLY 29 N 0.47 -0.80 -0.96 3.75 0.00 -0.83 -3.15 103.07 101.54 2k0f h GLY 29 Ca 0.15 0.30 0.39 0.00 0.00 0.00 0.00 47.33 48.17 2k0f h GLY 29 CO -0.04 -0.29 0.47 -0.84 0.00 0.00 0.00 176.54 175.84 2k0f h THR 30 N -0.91 0.03 0.17 4.70 2.02 0.68 -0.44 112.91 119.15 2k0f h THR 30 Ca -0.08 -0.01 -0.30 0.00 0.77 0.00 0.00 66.41 66.79 2k0f h THR 30 Cb 0.59 -0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2k0f h THR 30 CO 0.13 0.00 -1.37 1.62 0.37 0.00 0.00 175.52 176.27 2k0f h VAL 31 N 0.03 1.38 -0.56 3.16 3.04 -1.56 -1.86 116.25 119.87 2k0f h VAL 31 Ca 0.81 -2.90 -0.11 0.00 -1.01 0.00 0.00 66.70 63.49 2k0f h VAL 31 Cb 2.06 2.96 -0.02 0.00 -2.01 0.00 0.00 31.29 34.28 2k0f h VAL 31 CO -0.78 0.86 -0.06 -0.03 -1.01 0.00 0.00 177.57 176.54 2k0f h MET 32 N 0.10 1.03 -0.04 4.17 -1.53 -1.28 -1.77 114.93 115.60 2k0f h MET 32 Ca -0.19 -0.36 -0.08 0.00 -3.44 0.00 0.00 59.70 55.63 2k0f h MET 32 Cb 2.05 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 33.01 2k0f h MET 32 CO 0.22 1.05 -0.34 0.00 0.14 0.00 0.00 176.91 177.98 2k0f h ARG 33 N 0.93 0.08 -0.45 0.39 3.08 -0.77 0.16 114.38 117.81 2k0f h ARG 33 Ca 0.15 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 2k0f h ARG 33 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2k0f h ARG 33 CO 0.04 0.42 -0.19 0.77 -1.07 0.00 0.00 179.97 179.94 2k0f h SER 34 N 0.07 0.89 0.00 7.04 0.02 -1.12 -3.16 113.55 117.29 2k0f h SER 34 Ca 0.01 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2k0f h SER 34 Cb 0.65 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k0f h SER 34 CO 0.05 1.06 0.00 0.18 -1.14 0.00 0.00 176.83 176.97 2k0f n LEU 35 N -4.12 0.00 0.00 5.07 4.77 -0.69 -4.79 117.00 117.24 2k0f n LEU 35 Ca 0.01 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 2k0f n LEU 35 Cb 0.43 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2k0f n LEU 35 CO 0.45 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2k0f n GLY 36 N -0.97 0.00 3.20 -0.72 0.00 0.46 -5.10 105.19 102.06 2k0f n GLY 36 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.16 -0.47 1.61 -1.52 -0.47 -4.94 119.66 116.03 2k0f s GLN 37 Ca 0.00 -0.76 -0.13 0.00 -1.95 0.00 0.00 55.36 52.52 2k0f s GLN 37 Cb 0.00 -1.85 0.09 0.00 -0.22 0.00 0.00 33.01 31.03 2k0f s GLN 37 CO 0.00 0.32 0.37 1.21 -0.25 0.00 0.00 175.29 176.94 2k0f s ASN 38 N -0.08 5.93 0.99 5.90 2.47 -1.26 -2.44 114.94 126.45 2k0f s ASN 38 Ca -0.03 -1.58 -0.16 0.00 0.42 0.00 0.00 52.86 51.51 2k0f s ASN 38 Cb -0.12 -2.10 0.20 0.00 -1.45 0.00 0.00 41.25 37.77 2k0f s ASN 38 CO 0.03 -0.67 1.24 -2.16 -3.72 0.00 0.00 177.10 171.82 2k0f s PRO 39 N 1.52 0.47 0.46 0.43 0.04 -1.26 -5.10 135.00 131.56 2k0f s PRO 39 Ca 0.04 -0.19 0.07 0.00 0.04 0.00 0.00 61.00 60.96 2k0f s PRO 39 Cb -0.25 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.56 2k0f s PRO 39 CO 0.03 -2.56 0.63 0.25 0.04 0.00 0.00 177.00 175.39 2k0f n THR 40 N -3.92 0.00 0.11 1.26 -2.24 -1.26 -5.01 114.28 103.22 2k0f n THR 40 Ca 0.13 -1.49 -0.18 0.00 -2.27 0.00 0.00 64.05 60.24 2k0f n THR 40 Cb 0.60 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 68.04 2k0f n THR 40 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k0f h GLU 41 N 0.00 0.32 -0.92 -0.78 4.81 -1.98 -2.82 114.58 113.21 2k0f h GLU 41 Ca -0.21 -0.55 0.16 0.00 -0.13 0.00 0.00 59.36 58.63 2k0f h GLU 41 Cb 0.97 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 2k0f h GLU 41 CO 0.30 1.26 0.59 0.00 -0.73 0.00 0.00 179.01 180.43 2k0f h ALA 42 N 0.49 1.87 -0.05 2.92 0.00 -1.99 -0.26 119.26 122.24 2k0f h ALA 42 Ca -0.17 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 42 Cb 2.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.72 2k0f h ALA 42 CO 0.22 -0.15 -0.89 0.93 0.00 0.00 0.00 179.25 179.35 2k0f h GLU 43 N 0.66 0.57 -0.77 0.00 5.08 -1.96 -2.67 114.58 115.48 2k0f h GLU 43 Ca 0.48 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 43 Cb 0.85 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2k0f h GLU 43 CO -0.23 1.17 0.39 -0.07 -1.00 0.00 0.00 179.01 179.27 2k0f h LEU 44 N 0.35 1.00 -0.90 1.33 3.38 -1.08 -1.28 115.31 118.10 2k0f h LEU 44 Ca -0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2k0f h LEU 44 Cb 1.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2k0f h LEU 44 CO 0.17 0.83 0.14 1.56 0.09 0.00 0.00 178.44 181.23 2k0f h GLN 45 N 1.08 0.95 -0.20 1.13 4.20 -1.11 -0.95 115.11 120.22 2k0f h GLN 45 Ca 0.27 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2k0f h GLN 45 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2k0f h GLN 45 CO -0.04 0.85 0.07 0.22 -0.67 0.00 0.00 178.83 179.26 2k0f h ASP 46 N 0.91 0.28 -0.77 1.46 1.82 -1.16 -1.96 116.42 117.00 2k0f h ASP 46 Ca 0.19 -0.19 0.11 0.00 -0.39 0.00 0.00 57.03 56.75 2k0f h ASP 46 Cb 0.33 -0.07 -0.08 0.00 0.68 0.00 0.00 39.33 40.19 2k0f h ASP 46 CO 0.00 0.40 0.40 0.24 -1.61 0.00 0.00 179.24 178.66 2k0f h MET 47 N 0.15 0.62 0.04 0.28 2.86 -1.07 -3.16 114.93 114.66 2k0f h MET 47 Ca 0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2k0f h MET 47 Cb 0.21 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k0f h MET 47 CO -0.00 0.41 -0.02 0.82 1.06 0.00 0.00 176.91 179.18 2k0f h ILE 48 N 0.64 1.18 -0.01 -1.22 1.08 -1.18 -3.34 117.51 114.66 2k0f h ILE 48 Ca 0.39 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2k0f h ILE 48 Cb 0.45 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.87 2k0f h ILE 48 CO -0.29 0.19 -0.06 -1.13 -0.69 0.00 0.00 178.15 176.16 2k0f h ASN 49 N -0.39 0.01 0.56 1.72 -0.00 -1.32 -0.68 115.58 115.49 2k0f h ASN 49 Ca -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.27 2k0f h ASN 49 Cb 0.35 -0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 2k0f h ASN 49 CO 0.01 0.08 -0.36 -0.08 -0.00 0.00 0.00 177.43 177.08 2k0f h GLU 50 N 0.01 -0.84 0.00 6.67 4.81 -1.68 -3.04 114.58 120.51 2k0f h GLU 50 Ca 0.00 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 50 Cb 0.12 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 50 CO 0.01 -0.56 -0.12 -0.39 -0.73 0.00 0.00 179.01 177.22 2k0f h VAL 51 N -0.87 0.25 -2.57 0.32 -1.51 -1.60 -3.43 116.25 106.83 2k0f h VAL 51 Ca -0.07 -1.02 -0.57 0.00 -1.23 0.00 0.00 66.70 63.82 2k0f h VAL 51 Cb 0.72 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.69 2k0f h VAL 51 CO 0.06 0.12 1.25 -0.62 -1.23 0.00 0.00 177.57 177.14 2k0f s ASP 52 N -6.07 6.07 -0.21 4.19 2.15 -0.30 -4.85 116.67 117.65 2k0f s ASP 52 Ca 0.03 1.65 -0.13 0.00 0.43 0.00 0.00 52.55 54.53 2k0f s ASP 52 Cb 0.08 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 52 CO 0.63 -1.51 0.08 0.00 -0.17 0.00 0.00 175.17 174.20 2k0f n ALA 53 N 9.52 0.98 -0.23 3.66 0.00 -1.26 -4.58 120.51 128.60 2k0f n ALA 53 Ca 0.22 -0.72 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 2k0f n ALA 53 Cb 0.45 -0.39 0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.59 1.07 0.00 0.00 3.04 -1.95 -3.48 116.42 114.51 2k0f h ASP 54 Ca -0.47 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.03 2k0f h ASP 54 Cb 1.64 -0.29 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 2k0f h ASP 54 CO -0.16 1.09 0.00 0.61 -2.04 0.00 0.00 179.24 178.74 2k0f n GLY 55 N -0.50 1.89 0.01 7.15 0.00 -1.26 -5.04 105.19 107.45 2k0f n GLY 55 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 0.95 -0.23 1.61 6.94 -1.26 -5.00 115.26 118.27 2k0f n ASN 56 Ca 0.00 -0.25 -0.03 0.00 -0.02 0.00 0.00 54.58 54.28 2k0f n ASN 56 Cb 0.00 1.58 -0.01 0.00 -2.36 0.00 0.00 39.78 38.99 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 1.48 0.61 3.75 4.83 0.00 -1.26 -5.04 105.19 109.57 2k0f n GLY 57 Ca -0.01 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.07 4.50 -0.43 2.61 -4.23 -1.26 -4.65 115.64 110.11 2k0f s THR 58 Ca 0.00 -0.56 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 2k0f s THR 58 Cb 0.00 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 58 CO 0.00 0.30 1.08 -0.51 -0.54 0.00 0.00 174.62 174.95 2k0f s ILE 59 N -1.21 4.33 0.64 2.99 2.07 -1.11 -4.80 121.20 124.10 2k0f s ILE 59 Ca 0.23 1.27 -0.06 0.00 -1.41 0.00 0.00 60.65 60.68 2k0f s ILE 59 Cb -0.12 -4.53 0.03 0.00 0.13 0.00 0.00 42.46 37.97 2k0f s ILE 59 CO 0.15 -0.85 0.96 -1.81 -1.91 0.00 0.00 174.94 171.48 2k0f s ASP 60 N 2.23 5.27 0.16 4.50 1.11 -1.26 -1.71 116.67 126.97 2k0f s ASP 60 Ca 0.45 0.63 -0.11 0.00 0.18 0.00 0.00 52.55 53.70 2k0f s ASP 60 Cb -0.09 -1.47 0.05 0.00 1.07 0.00 0.00 42.92 42.48 2k0f s ASP 60 CO 0.27 -1.30 1.66 0.15 1.18 0.00 0.00 175.17 177.13 2k0f h PHE 61 N -0.37 0.98 0.00 4.23 3.57 -1.98 -1.93 116.94 121.44 2k0f h PHE 61 Ca -0.45 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 60.92 2k0f h PHE 61 Cb 1.28 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2k0f h PHE 61 CO 0.42 0.86 0.00 -0.35 -2.23 0.00 0.00 178.31 177.01 2k0f n PRO 62 N -4.35 0.12 -0.06 6.41 -0.04 -1.26 -1.45 135.00 134.36 2k0f n PRO 62 Ca 0.02 0.43 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2k0f n PRO 62 Cb 0.26 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -0.00 -0.79 0.54 5.08 -1.71 -3.00 114.58 114.71 2k0f h GLU 63 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 63 Cb 0.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 63 CO 0.00 0.92 -0.06 0.35 -1.00 0.00 0.00 179.01 179.23 2k0f h PHE 64 N -0.96 -0.17 -0.62 4.33 3.57 -1.30 0.15 116.94 121.95 2k0f h PHE 64 Ca -0.00 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 64 Cb 0.92 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 2k0f h PHE 64 CO 0.25 -0.29 0.13 -0.07 -2.23 0.00 0.00 178.31 176.10 2k0f h LEU 65 N 0.06 0.97 -1.50 0.59 3.38 -1.39 -1.34 115.31 116.08 2k0f h LEU 65 Ca 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2k0f h LEU 65 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k0f h LEU 65 CO -0.73 0.97 0.11 0.74 0.09 0.00 0.00 178.44 179.62 2k0f h THR 66 N 0.93 1.13 0.43 0.22 2.02 -1.24 -2.60 112.91 113.80 2k0f h THR 66 Ca 0.19 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2k0f h THR 66 Cb 0.39 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2k0f h THR 66 CO 0.01 0.16 -0.21 -0.03 0.37 0.00 0.00 175.52 175.82 2k0f h MET 67 N 0.45 -0.56 0.00 6.66 1.85 -0.38 -3.10 114.93 119.85 2k0f h MET 67 Ca 0.11 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 2k0f h MET 67 Cb 0.12 0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.27 2k0f h MET 67 CO -0.01 -0.25 0.00 -1.33 -0.40 0.00 0.00 176.91 174.92 2k0f n MET 68 N -5.20 0.26 0.00 0.39 2.00 -0.54 -2.19 117.12 111.84 2k0f n MET 68 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.73 2k0f n MET 68 Cb 0.29 -1.45 0.43 0.00 0.00 0.00 0.00 33.22 32.49 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f n ALA 69 N -0.95 3.02 -2.13 3.04 0.00 -0.98 -4.79 120.51 117.72 2k0f n ALA 69 Ca 0.06 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2k0f n ALA 69 Cb 0.03 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -2.87 4.21 -0.23 0.00 0.52 -0.93 -5.01 118.95 114.64 2k0f s ARG 70 Ca 0.16 2.04 -0.10 0.00 -0.52 0.00 0.00 55.73 57.31 2k0f s ARG 70 Cb 0.19 -3.83 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 2k0f s ARG 70 CO 0.60 -0.76 0.14 0.15 0.02 0.00 0.00 175.30 175.45 2k0f s LYS 71 N 3.51 4.02 0.94 3.54 1.02 -1.26 -5.10 119.74 126.42 2k0f s LYS 71 Ca 0.67 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.22 2k0f s LYS 71 Cb -0.31 -3.46 0.17 0.00 -0.52 0.00 0.00 37.83 33.71 2k0f s LYS 71 CO 0.26 0.08 1.26 -1.64 -0.92 0.00 0.00 175.35 174.39 2k0f s MET 72 N 0.97 0.86 0.45 1.68 -1.94 -1.26 -5.11 119.30 114.95 2k0f s MET 72 Ca 0.07 -0.21 0.05 0.00 -1.71 0.00 0.00 55.69 53.88 2k0f s MET 72 Cb -0.13 -1.85 0.01 0.00 2.01 0.00 0.00 34.83 34.87 2k0f s MET 72 CO 0.04 -2.30 0.63 0.21 -0.01 0.00 0.00 175.02 173.59 2k0f s LYS 73 N -5.74 2.83 0.02 2.03 2.20 -1.26 -4.92 119.74 114.90 2k0f s LYS 73 Ca 0.70 -0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 2k0f s LYS 73 Cb -0.07 -2.66 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2k0f s LYS 73 CO 0.52 -0.34 1.06 0.38 -0.36 0.00 0.00 175.35 176.61 2k0f h ASP 74 N 0.48 -0.22 -0.07 1.43 3.04 -1.99 -1.68 116.42 117.40 2k0f h ASP 74 Ca -0.43 0.03 -0.00 0.00 -3.24 0.00 0.00 57.03 53.39 2k0f h ASP 74 Cb 1.28 0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 39.66 2k0f h ASP 74 CO 0.50 -0.04 0.04 0.74 -2.04 0.00 0.00 179.24 178.45 2k0f h THR 75 N -0.02 1.04 -0.16 1.15 2.02 -1.99 0.27 112.91 115.22 2k0f h THR 75 Ca 0.01 -0.12 -0.22 0.00 0.77 0.00 0.00 66.41 66.85 2k0f h THR 75 Cb 0.06 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2k0f h THR 75 CO -0.09 0.05 -0.78 0.44 0.37 0.00 0.00 175.52 175.51 2k0f h ASP 76 N 0.13 0.95 -0.13 4.18 3.32 -1.93 -3.05 116.42 119.91 2k0f h ASP 76 Ca 0.03 -0.62 -0.07 0.00 0.02 0.00 0.00 57.03 56.39 2k0f h ASP 76 Cb 0.03 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2k0f h ASP 76 CO -0.00 1.43 -0.21 -1.28 -1.72 0.00 0.00 179.24 177.45 2k0f h SER 77 N 0.55 0.40 -0.50 6.45 0.87 -0.16 -2.43 113.55 118.74 2k0f h SER 77 Ca -0.05 -0.54 -0.08 0.00 -1.23 0.00 0.00 61.79 59.89 2k0f h SER 77 Cb 1.41 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 2k0f h SER 77 CO 0.16 0.87 0.04 -0.08 -0.53 0.00 0.00 176.83 177.28 2k0f h GLU 78 N -0.05 0.91 -0.02 2.24 4.81 -0.65 -2.83 114.58 118.99 2k0f h GLU 78 Ca 0.01 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 2k0f h GLU 78 Cb 0.79 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2k0f h GLU 78 CO 0.05 0.88 -0.72 1.49 -0.73 0.00 0.00 179.01 179.97 2k0f h GLU 79 N 0.85 0.13 0.00 1.92 4.81 -1.44 -2.81 114.58 118.03 2k0f h GLU 79 Ca 0.17 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 79 Cb 0.45 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k0f h GLU 79 CO 0.02 0.79 -0.10 1.49 -0.73 0.00 0.00 179.01 180.48 2k0f h GLU 80 N 0.09 0.00 0.04 1.92 4.81 -1.18 -1.27 114.58 118.99 2k0f h GLU 80 Ca -0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 80 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2k0f h GLU 80 CO 0.10 0.10 -0.41 0.82 -0.73 0.00 0.00 179.01 178.89 2k0f h ILE 81 N 0.00 1.58 -0.82 2.32 2.04 -1.49 -2.65 117.51 118.50 2k0f h ILE 81 Ca -0.00 -2.37 0.15 0.00 1.00 0.00 0.00 64.86 63.64 2k0f h ILE 81 Cb 0.28 3.17 -0.10 0.00 -0.74 0.00 0.00 36.82 39.44 2k0f h ILE 81 CO 0.01 0.60 0.39 0.03 0.00 0.00 0.00 178.15 179.18 2k0f h ARG 82 N -0.82 0.53 -0.18 2.37 3.08 -1.23 0.17 114.38 118.30 2k0f h ARG 82 Ca -0.09 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2k0f h ARG 82 Cb 1.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2k0f h ARG 82 CO 0.01 0.35 -0.38 0.93 -1.07 0.00 0.00 179.97 179.81 2k0f h GLU 83 N 0.54 0.39 -0.30 0.04 4.39 -1.33 -2.87 114.58 115.43 2k0f h GLU 83 Ca 0.45 -0.18 -0.15 0.00 0.34 0.00 0.00 59.36 59.83 2k0f h GLU 83 Cb 0.67 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2k0f h GLU 83 CO -0.39 0.71 -0.40 0.00 -1.16 0.00 0.00 179.01 177.78 2k0f h ALA 84 N 1.27 0.72 -0.45 3.43 0.00 -0.89 -2.82 119.26 120.53 2k0f h ALA 84 Ca 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 84 Cb 0.82 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 84 CO 0.07 0.66 -0.10 0.35 0.00 0.00 0.00 179.25 180.23 2k0f h PHE 85 N 0.60 -0.21 0.00 0.00 3.57 -0.92 -2.49 116.94 117.49 2k0f h PHE 85 Ca 0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 85 Cb 0.94 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2k0f h PHE 85 CO 0.05 -0.18 0.00 0.54 -2.23 0.00 0.00 178.31 176.49 2k0f n ARG 86 N -5.32 0.04 0.08 1.11 1.74 -1.07 -2.11 116.66 111.13 2k0f n ARG 86 Ca 0.04 0.21 -0.21 0.00 -0.77 0.00 0.00 57.85 57.12 2k0f n ARG 86 Cb 0.24 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 1.02 0.21 1.55 2.07 -1.47 -3.38 116.25 116.26 2k0f h VAL 87 Ca 0.00 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 64.91 2k0f h VAL 87 Cb 0.02 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2k0f h VAL 87 CO 0.00 0.84 -0.10 -0.26 0.02 0.00 0.00 177.57 178.07 2k0f h PHE 88 N 0.10 -0.26 -3.00 1.57 0.04 -1.59 -3.43 116.94 110.37 2k0f h PHE 88 Ca -0.31 -0.01 -0.56 0.00 2.80 0.00 0.00 57.97 59.89 2k0f h PHE 88 Cb 2.09 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 40.28 2k0f h PHE 88 CO 0.09 0.13 1.14 0.34 -0.60 0.00 0.00 178.31 179.42 2k0f s ASP 89 N -5.35 6.14 -0.07 2.17 2.15 -0.89 -4.69 116.67 116.13 2k0f s ASP 89 Ca -0.13 0.84 -0.08 0.00 0.43 0.00 0.00 52.55 53.62 2k0f s ASP 89 Cb 0.01 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 89 CO 0.47 -1.59 0.33 0.50 -0.17 0.00 0.00 175.17 174.71 2k0f h LYS 90 N 11.51 -0.27 0.41 4.34 1.63 -1.83 -3.42 116.57 128.94 2k0f h LYS 90 Ca -0.29 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2k0f h LYS 90 Cb 1.12 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2k0f h LYS 90 CO 1.09 -0.18 -0.20 0.38 -3.45 0.00 0.00 179.45 177.09 2k0f h ASP 91 N -1.06 -0.46 0.00 4.20 3.04 -1.95 -3.47 116.42 116.71 2k0f h ASP 91 Ca -0.03 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 2k0f h ASP 91 Cb 0.22 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 2k0f h ASP 91 CO 0.05 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.67 2k0f n GLY 92 N -0.78 0.31 0.06 7.15 0.00 -1.26 -5.06 105.19 105.61 2k0f n GLY 92 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.64 -0.31 1.61 6.94 -1.26 -4.98 115.26 117.91 2k0f n ASN 93 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 2k0f n ASN 93 Cb 0.00 0.64 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.32 0.97 2.86 4.83 0.00 -1.26 -5.09 105.19 108.82 2k0f n GLY 94 Ca 0.02 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.61 -0.39 -0.25 1.61 2.02 -1.26 -4.40 117.35 112.07 2k0f s TYR 95 Ca 0.00 0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 56.98 2k0f s TYR 95 Cb 0.00 -0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 2k0f s TYR 95 CO 0.00 -0.52 1.51 0.42 -1.57 0.00 0.00 175.55 175.39 2k0f s ILE 96 N 2.39 3.84 0.56 2.71 1.01 -0.57 -4.76 121.20 126.38 2k0f s ILE 96 Ca 0.06 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.66 2k0f s ILE 96 Cb -0.14 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2k0f s ILE 96 CO -0.11 -0.35 0.79 -0.94 0.00 0.00 0.00 174.94 174.33 2k0f s SER 97 N 3.77 5.20 0.46 3.58 1.04 -1.26 -1.12 113.70 125.36 2k0f s SER 97 Ca 0.66 -0.05 0.25 0.00 0.48 0.00 0.00 55.95 57.30 2k0f s SER 97 Cb -0.22 -0.79 0.53 0.00 0.10 0.00 0.00 66.02 65.63 2k0f s SER 97 CO 0.27 -1.20 1.68 0.00 0.98 0.00 0.00 173.24 174.97 2k0f h ALA 98 N 0.02 1.00 0.68 5.32 0.00 -1.95 -2.11 119.26 122.22 2k0f h ALA 98 Ca -0.41 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 98 Cb 1.29 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k0f h ALA 98 CO 0.51 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 179.44 2k0f h ALA 99 N 2.00 -0.91 -0.89 0.00 0.00 -1.99 -2.91 119.26 114.56 2k0f h ALA 99 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 99 Cb 0.91 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 99 CO 0.00 -1.00 0.54 0.93 0.00 0.00 0.00 179.25 179.73 2k0f h GLU 100 N -0.93 0.91 -0.48 0.00 5.08 -1.84 -2.00 114.58 115.32 2k0f h GLU 100 Ca -0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 100 Cb 0.70 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 100 CO 0.15 0.60 0.25 1.25 -1.00 0.00 0.00 179.01 180.26 2k0f h LEU 101 N 0.94 0.62 0.11 1.33 5.85 -1.46 -2.48 115.31 120.21 2k0f h LEU 101 Ca 0.41 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2k0f h LEU 101 Cb 0.30 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2k0f h LEU 101 CO -0.22 0.55 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.29 2k0f h ARG 102 N 0.64 -0.14 -0.95 1.25 2.43 -1.26 -2.07 114.38 114.28 2k0f h ARG 102 Ca 0.17 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.66 2k0f h ARG 102 Cb 0.08 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.49 2k0f h ARG 102 CO -0.02 0.19 0.20 1.58 -1.51 0.00 0.00 179.97 180.40 2k0f n HIS 103 N -5.00 0.78 -0.04 2.20 -0.00 -0.79 -0.04 115.22 112.33 2k0f n HIS 103 Ca -0.09 1.13 -0.14 0.00 0.46 0.00 0.00 57.72 59.09 2k0f n HIS 103 Cb 0.21 -1.32 -0.08 0.00 -0.12 0.00 0.00 29.99 28.67 2k0f n HIS 103 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2k0f h VAL 104 N 0.00 1.38 0.00 3.57 2.07 -1.20 -3.05 116.25 119.03 2k0f h VAL 104 Ca 0.66 -1.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2k0f h VAL 104 Cb 1.52 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2k0f h VAL 104 CO -0.83 0.42 -0.49 0.24 0.02 0.00 0.00 177.57 176.93 2k0f h MET 105 N -0.10 0.00 0.26 1.57 2.07 -0.76 -2.45 114.93 115.52 2k0f h MET 105 Ca 0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2k0f h MET 105 Cb 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.50 2k0f h MET 105 CO 0.04 0.49 -0.12 1.15 1.07 0.00 0.00 176.91 179.54 2k0f h THR 106 N 0.00 0.79 -1.00 2.22 2.02 -0.54 -0.09 112.91 116.31 2k0f h THR 106 Ca -0.00 -0.39 0.18 0.00 0.77 0.00 0.00 66.41 66.97 2k0f h THR 106 Cb 1.02 1.01 -0.10 0.00 -1.74 0.00 0.00 68.15 68.34 2k0f h THR 106 CO 0.06 0.08 0.62 0.78 0.37 0.00 0.00 175.52 177.43 2k0f h ASN 107 N -0.55 0.80 -0.36 4.18 2.35 -1.41 -0.75 115.58 119.84 2k0f h ASN 107 Ca -0.04 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2k0f h ASN 107 Cb 0.40 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2k0f h ASN 107 CO 0.06 0.31 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.08 2k0f h LEU 108 N 0.79 0.63 -0.02 1.61 3.38 -1.48 -3.46 115.31 116.76 2k0f h LEU 108 Ca 0.56 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2k0f h LEU 108 Cb 0.83 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k0f h LEU 108 CO -0.35 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2k0f n GLY 109 N -0.34 1.26 3.78 0.83 0.00 -0.17 -5.10 105.19 105.45 2k0f n GLY 109 Ca -0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.37 4.27 -0.99 1.61 0.41 -0.49 -5.02 118.70 118.12 2k0f s GLU 110 Ca 0.00 1.58 -0.04 0.00 -0.41 0.00 0.00 54.97 56.10 2k0f s GLU 110 Cb 0.00 -2.69 0.25 0.00 -1.78 0.00 0.00 34.13 29.91 2k0f s GLU 110 CO 0.00 -0.06 0.99 1.17 -0.49 0.00 0.00 175.26 176.87 2k0f n LYS 111 N 0.22 3.19 -3.36 1.61 4.81 -1.26 -4.48 118.16 118.89 2k0f n LYS 111 Ca 0.04 -4.49 -0.38 0.00 -0.87 0.00 0.00 58.31 52.60 2k0f n LYS 111 Cb 0.48 -2.47 -0.06 0.00 0.02 0.00 0.00 35.03 33.01 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k0f s LEU 112 N -1.58 4.41 0.83 3.14 1.02 -1.26 -5.08 118.68 120.17 2k0f s LEU 112 Ca 0.30 1.00 -0.12 0.00 0.02 0.00 0.00 54.13 55.33 2k0f s LEU 112 Cb -0.06 -2.73 0.10 0.00 0.02 0.00 0.00 46.19 43.52 2k0f s LEU 112 CO -0.08 0.18 1.18 0.42 0.02 0.00 0.00 176.35 178.08 2k0f s THR 113 N -0.41 2.00 0.08 5.49 -4.23 -1.26 -4.93 115.64 112.39 2k0f s THR 113 Ca 0.26 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 2k0f s THR 113 Cb -0.17 -2.97 -0.23 0.00 1.34 0.00 0.00 72.50 70.47 2k0f s THR 113 CO 0.14 0.00 1.20 0.44 -0.54 0.00 0.00 174.62 175.86 2k0f h ASP 114 N -1.15 0.81 -0.16 3.99 3.32 -2.01 -1.46 116.42 119.75 2k0f h ASP 114 Ca -0.46 -0.67 0.03 0.00 0.02 0.00 0.00 57.03 55.95 2k0f h ASP 114 Cb 1.32 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 2k0f h ASP 114 CO 0.64 1.47 -0.06 -0.62 -1.72 0.00 0.00 179.24 178.95 2k0f n GLU 115 N -3.81 -0.03 0.07 3.56 4.71 -1.26 -3.08 120.64 120.80 2k0f n GLU 115 Ca -0.10 0.25 -0.17 0.00 -0.01 0.00 0.00 57.16 57.12 2k0f n GLU 115 Cb 0.89 -0.37 -0.14 0.00 -1.01 0.00 0.00 31.44 30.81 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 116 N 0.00 0.27 0.04 3.49 5.08 -1.63 -2.39 114.58 119.44 2k0f h GLU 116 Ca 0.06 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 116 Cb 0.10 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 116 CO -0.16 1.15 -0.50 0.28 -1.00 0.00 0.00 179.01 178.78 2k0f h VAL 117 N 0.07 0.00 -0.51 3.13 2.07 -1.46 0.32 116.25 119.88 2k0f h VAL 117 Ca -0.24 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.39 2k0f h VAL 117 Cb 2.02 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 2k0f h VAL 117 CO 0.17 0.00 -0.12 -0.78 0.02 0.00 0.00 177.57 176.86 2k0f h ASP 118 N -0.65 -0.46 -0.68 0.57 3.58 -1.61 -1.08 116.42 116.09 2k0f h ASP 118 Ca 0.00 0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 2k0f h ASP 118 Cb 0.69 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 2k0f h ASP 118 CO -0.31 -0.16 0.15 -0.08 -2.88 0.00 0.00 179.24 175.96 2k0f h GLU 119 N 0.01 1.11 0.79 0.28 4.57 -1.14 -1.64 114.58 118.55 2k0f h GLU 119 Ca 0.25 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2k0f h GLU 119 Cb 0.37 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2k0f h GLU 119 CO -0.52 0.99 -0.38 1.98 -1.18 0.00 0.00 179.01 179.90 2k0f h MET 120 N 1.04 -1.03 -0.69 1.92 4.05 -0.29 -1.86 114.93 118.07 2k0f h MET 120 Ca 0.21 0.07 0.15 0.00 -0.28 0.00 0.00 59.70 59.85 2k0f h MET 120 Cb 0.39 0.23 -0.11 0.00 -0.80 0.00 0.00 31.60 31.32 2k0f h MET 120 CO 0.01 -0.68 0.12 0.82 0.23 0.00 0.00 176.91 177.40 2k0f h ILE 121 N -1.07 0.52 -0.17 1.77 1.08 -1.13 -2.19 117.51 116.31 2k0f h ILE 121 Ca -0.11 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 2k0f h ILE 121 Cb 0.82 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2k0f h ILE 121 CO 0.18 0.04 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.56 2k0f h ARG 122 N 0.23 0.25 -0.75 2.37 2.43 -1.22 -0.26 114.38 117.42 2k0f h ARG 122 Ca 0.38 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.57 2k0f h ARG 122 Cb 0.63 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 2k0f h ARG 122 CO -0.51 0.30 0.45 1.49 -1.51 0.00 0.00 179.97 180.19 2k0f h GLU 123 N 0.25 0.80 0.04 0.20 4.81 -0.68 -3.27 114.58 116.73 2k0f h GLU 123 Ca 0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 123 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2k0f h GLU 123 CO 0.01 0.53 -0.02 0.00 -0.73 0.00 0.00 179.01 178.80 2k0f h ALA 124 N 1.37 -0.06 -1.67 2.92 0.00 -1.30 -3.45 119.26 117.08 2k0f h ALA 124 Ca 0.33 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 124 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 124 CO -0.17 -0.30 1.58 -3.47 0.00 0.00 0.00 179.25 176.89 2k0f n ASP 125 N -4.90 2.61 -0.04 0.00 2.03 -0.17 -4.70 116.55 111.38 2k0f n ASP 125 Ca -0.08 -0.17 -0.19 0.00 0.52 0.00 0.00 54.79 54.87 2k0f n ASP 125 Cb 0.24 -1.54 -0.13 0.00 -0.72 0.00 0.00 41.12 38.97 2k0f n ASP 125 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k0f h ILE 126 N 7.47 1.36 0.55 5.18 2.04 -1.86 -3.44 117.51 128.81 2k0f h ILE 126 Ca -0.30 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.18 2k0f h ILE 126 Cb 1.26 2.93 0.01 0.00 -0.74 0.00 0.00 36.82 40.27 2k0f h ILE 126 CO 1.08 0.58 -0.26 -2.24 0.00 0.00 0.00 178.15 177.31 2k0f h ASP 127 N -0.72 -0.62 0.00 1.72 3.04 -1.94 -3.48 116.42 114.41 2k0f h ASP 127 Ca -0.18 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 2k0f h ASP 127 Cb 1.37 0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.82 2k0f h ASP 127 CO -0.01 -0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.52 2k0f n GLY 128 N -0.31 -0.12 0.26 7.15 0.00 -1.26 -5.04 105.19 105.87 2k0f n GLY 128 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 1.04 -1.13 1.61 5.68 -1.26 -4.90 116.55 117.59 2k0f n ASP 129 Ca 0.00 -0.93 -0.11 0.00 -0.50 0.00 0.00 54.79 53.25 2k0f n ASP 129 Cb 0.00 0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.32 0.32 2.99 6.12 0.00 -1.26 -5.02 105.19 109.67 2k0f n GLY 130 Ca 0.13 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.05 0.34 -0.37 1.61 -0.21 -1.26 -4.68 119.66 111.03 2k0f s GLN 131 Ca 0.00 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 2k0f s GLN 131 Cb 0.00 -0.03 0.02 0.00 1.00 0.00 0.00 33.01 34.00 2k0f s GLN 131 CO 0.00 -0.01 0.22 0.08 -2.12 0.00 0.00 175.29 173.46 2k0f s VAL 132 N -1.21 4.72 0.54 1.09 1.01 -0.28 -4.79 120.40 121.49 2k0f s VAL 132 Ca -0.12 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2k0f s VAL 132 Cb -0.08 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.80 2k0f s VAL 132 CO -0.00 -0.21 0.74 -0.46 0.00 0.00 0.00 175.10 175.16 2k0f n ASN 133 N 5.03 0.82 -0.03 3.32 0.23 -1.26 -1.51 115.26 121.86 2k0f n ASN 133 Ca -0.12 -1.73 -0.12 0.00 -0.53 0.00 0.00 54.58 52.08 2k0f n ASN 133 Cb 0.47 -0.50 -0.06 0.00 -2.08 0.00 0.00 39.78 37.61 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 -0.69 0.21 -0.86 -2.53 3.20 -1.98 -0.66 116.97 113.66 2k0f h TYR 134 Ca -0.24 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.68 2k0f h TYR 134 Cb 0.86 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 2k0f h TYR 134 CO 0.00 0.36 0.56 1.49 -1.64 0.00 0.00 178.16 178.93 2k0f h GLU 135 N 0.00 0.86 -0.06 1.82 4.81 -1.98 -1.81 114.58 118.23 2k0f h GLU 135 Ca 0.04 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 135 Cb 0.26 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 135 CO 0.00 0.57 -0.42 0.93 -0.73 0.00 0.00 179.01 179.36 2k0f h GLU 136 N 0.89 0.13 -0.18 1.92 5.08 -1.79 -1.34 114.58 119.29 2k0f h GLU 136 Ca 0.39 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 2k0f h GLU 136 Cb 0.33 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 136 CO -0.15 0.54 -0.35 0.35 -1.00 0.00 0.00 179.01 178.39 2k0f h PHE 137 N 0.11 0.43 0.02 4.33 3.57 -0.39 -1.80 116.94 123.20 2k0f h PHE 137 Ca 0.01 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 137 Cb 0.80 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.45 2k0f h PHE 137 CO 0.01 0.68 -0.31 0.28 -2.23 0.00 0.00 178.31 176.74 2k0f h VAL 138 N 0.32 1.58 -0.13 1.41 2.07 -1.04 -3.10 116.25 117.36 2k0f h VAL 138 Ca 0.04 -2.12 -0.07 0.00 0.82 0.00 0.00 66.70 65.36 2k0f h VAL 138 Cb 0.77 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 2k0f h VAL 138 CO 0.06 0.58 -0.23 1.56 0.02 0.00 0.00 177.57 179.56 2k0f h GLN 139 N -0.56 0.23 -0.78 1.57 4.20 -1.26 0.28 115.11 118.79 2k0f h GLN 139 Ca -0.04 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.66 2k0f h GLN 139 Cb 1.12 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 2k0f h GLN 139 CO 0.06 0.46 0.46 1.98 -0.67 0.00 0.00 178.83 181.12 2k0f h MET 140 N 0.21 0.81 0.02 1.46 4.05 -1.41 -3.16 114.93 116.91 2k0f h MET 140 Ca 0.04 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 2k0f h MET 140 Cb 0.53 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2k0f h MET 140 CO 0.04 0.54 -0.25 0.52 0.23 0.00 0.00 176.91 177.98 2k0f h MET 141 N 0.83 0.13 0.00 0.39 2.86 -1.19 -3.51 114.93 114.45 2k0f h MET 141 Ca 0.35 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2k0f h MET 141 Cb 0.20 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2k0f h MET 141 CO -0.18 0.99 0.00 0.25 1.06 0.00 0.00 176.91 179.02