#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0s n HIS 2 N 0.00 -2.03 -2.83 1.61 -0.00 -1.26 -5.07 115.22 105.64 2k0s n HIS 2 Ca 0.00 -1.46 -0.06 0.00 -0.00 0.00 0.00 57.72 56.20 2k0s n HIS 2 Cb 0.00 0.73 0.01 0.00 -0.00 0.00 0.00 29.99 30.72 2k0s n HIS 2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k0s n HIS 3 N -0.44 -3.60 -2.24 1.57 -0.00 -1.26 -4.99 115.22 104.25 2k0s n HIS 3 Ca -0.07 1.50 0.02 0.00 -0.00 0.00 0.00 57.72 59.17 2k0s n HIS 3 Cb 0.48 -3.98 0.01 0.00 -0.00 0.00 0.00 29.99 26.49 2k0s n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k0s n HIS 4 N 0.03 0.00 0.00 4.41 8.25 -1.26 -5.05 115.22 121.60 2k0s n HIS 4 Ca 0.08 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2k0s n HIS 4 Cb 0.33 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2k0s n HIS 4 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k0s n HIS 5 N 0.24 0.00 -1.24 4.41 -0.00 -1.26 -4.92 115.22 112.45 2k0s n HIS 5 Ca 0.02 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.91 2k0s n HIS 5 Cb 0.91 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.86 2k0s n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k0s n HIS 6 N 0.00 -3.10 -2.74 4.41 -0.00 -1.26 -5.00 115.22 107.53 2k0s n HIS 6 Ca 0.00 1.55 0.11 0.00 -0.00 0.00 0.00 57.72 59.38 2k0s n HIS 6 Cb 0.00 -2.82 -0.03 0.00 -0.00 0.00 0.00 29.99 27.15 2k0s n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k0s n HIS 7 N -3.79 -2.89 -1.92 4.41 -0.00 -1.26 -4.82 115.22 104.94 2k0s n HIS 7 Ca 0.01 1.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.73 2k0s n HIS 7 Cb 0.56 -1.75 0.00 0.00 -0.00 0.00 0.00 29.99 28.80 2k0s n HIS 7 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2k0s n LEU 8 N 0.00 0.00 0.00 2.41 -0.00 -1.26 -5.15 117.00 113.00 2k0s n LEU 8 Ca 0.01 -0.87 0.00 0.00 -0.00 0.00 0.00 56.01 55.14 2k0s n LEU 8 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2k0s n LEU 8 CO 0.01 0.59 0.00 -1.84 -0.00 0.00 0.00 177.39 176.14 2k0s n GLU 9 N 0.00 0.00 -2.79 1.47 0.00 -1.26 -4.71 120.64 113.35 2k0s n GLU 9 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 2k0s n GLU 9 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.01 2k0s n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2k0s n ASP 10 N -3.89 -3.14 0.00 -1.84 8.00 -1.26 -4.52 116.55 109.89 2k0s n ASP 10 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2k0s n ASP 10 Cb 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 2k0s n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k0s n ALA 11 N -2.72 0.68 -1.79 2.24 0.00 -1.26 -4.74 120.51 112.92 2k0s n ALA 11 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 2k0s n ALA 11 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2k0s n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0s n ASP 12 N -1.90 -0.56 -0.03 0.00 5.68 -1.26 -5.00 116.55 113.48 2k0s n ASP 12 Ca 0.00 -1.16 -0.14 0.00 -0.50 0.00 0.00 54.79 53.00 2k0s n ASP 12 Cb 0.00 0.17 -0.10 0.00 -1.14 0.00 0.00 41.12 40.05 2k0s n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k0s h ALA 13 N 0.00 0.07 -0.16 2.12 0.00 -1.96 -2.90 119.26 116.44 2k0s h ALA 13 Ca -0.32 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.27 2k0s h ALA 13 Cb 1.02 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2k0s h ALA 13 CO -0.16 -0.03 -0.55 0.93 0.00 0.00 0.00 179.25 179.44 2k0s h GLU 14 N -0.38 -0.55 -0.97 0.00 3.07 -1.96 0.23 114.58 114.02 2k0s h GLU 14 Ca -0.00 0.04 0.14 0.00 -0.50 0.00 0.00 59.36 59.04 2k0s h GLU 14 Cb 0.73 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.68 2k0s h GLU 14 CO 0.03 -0.37 0.61 0.35 -1.40 0.00 0.00 179.01 178.23 2k0s h PHE 15 N -0.57 1.03 -0.37 4.33 3.57 -1.98 0.51 116.94 123.46 2k0s h PHE 15 Ca 0.03 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2k0s h PHE 15 Cb 0.68 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2k0s h PHE 15 CO -0.60 0.36 -0.06 0.22 -2.23 0.00 0.00 178.31 176.01 2k0s h ASP 16 N 0.85 0.58 0.73 0.41 3.58 -0.85 -0.43 116.42 121.29 2k0s h ASP 16 Ca 0.50 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 2k0s h ASP 16 Cb 0.65 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.55 2k0s h ASP 16 CO -0.27 0.69 -0.35 0.40 -2.88 0.00 0.00 179.24 176.83 2k0s h ILE 17 N 0.56 0.00 -0.78 2.25 1.08 0.17 -1.72 117.51 119.07 2k0s h ILE 17 Ca 0.11 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 2k0s h ILE 17 Cb 0.44 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 2k0s h ILE 17 CO 0.02 0.00 0.52 -0.37 -0.69 0.00 0.00 178.15 177.63 2k0s h VAL 18 N -1.11 1.17 0.61 1.67 -1.51 -1.46 -2.70 116.25 112.92 2k0s h VAL 18 Ca -0.10 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 2k0s h VAL 18 Cb 0.75 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.96 2k0s h VAL 18 CO 0.17 0.19 -0.45 0.40 -1.23 0.00 0.00 177.57 176.64 2k0s h ILE 19 N 1.03 0.09 -0.86 7.19 1.08 -1.03 -1.98 117.51 123.03 2k0s h ILE 19 Ca 0.30 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.92 2k0s h ILE 19 Cb -0.06 0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 33.69 2k0s h ILE 19 CO -0.07 0.00 0.44 1.23 -0.69 0.00 0.00 178.15 179.06 2k0s h GLY 20 N -1.03 1.41 0.85 5.37 0.00 -1.15 -0.34 103.07 108.18 2k0s h GLY 20 Ca -0.08 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.04 2k0s h GLY 20 CO 0.03 -0.05 0.65 3.43 0.00 0.00 0.00 176.54 180.59 2k0s h ASN 21 N 0.62 1.07 -1.00 0.19 -0.26 -1.18 -1.99 115.58 113.03 2k0s h ASN 21 Ca 0.48 -0.01 0.21 0.00 -0.56 0.00 0.00 56.30 56.41 2k0s h ASN 21 Cb 0.69 -0.24 -0.11 0.00 -1.06 0.00 0.00 38.32 37.60 2k0s h ASN 21 CO -0.38 0.73 0.60 -0.29 -1.06 0.00 0.00 177.43 177.03 2k0s h ILE 22 N 1.24 0.65 0.00 2.81 6.09 -0.29 0.89 117.51 128.90 2k0s h ILE 22 Ca 0.40 -0.24 -0.05 0.00 -1.37 0.00 0.00 64.86 63.60 2k0s h ILE 22 Cb 0.03 -0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.20 2k0s h ILE 22 CO -0.13 0.13 -0.23 1.05 -3.07 0.00 0.00 178.15 175.90 2k0s h GLU 23 N 0.70 0.00 0.00 2.19 4.11 -1.35 -2.72 114.58 117.51 2k0s h GLU 23 Ca 0.60 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.80 2k0s h GLU 23 Cb 0.99 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2k0s h GLU 23 CO -0.41 0.23 -1.67 -0.25 0.07 0.00 0.00 179.01 176.98 2k0s n ASP 24 N -3.75 0.70 0.28 3.06 9.92 0.18 -3.97 116.55 122.98 2k0s n ASP 24 Ca -0.01 0.32 0.18 0.00 -0.53 0.00 0.00 54.79 54.74 2k0s n ASP 24 Cb 0.33 0.31 0.74 0.00 -0.64 0.00 0.00 41.12 41.87 2k0s n ASP 24 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2k0s h ILE 25 N 0.00 0.02 -1.59 0.53 -0.00 0.79 -3.19 117.51 114.07 2k0s h ILE 25 Ca -0.24 -0.47 0.46 0.00 -0.00 0.00 0.00 64.86 64.60 2k0s h ILE 25 Cb 1.77 1.46 -0.06 0.00 -0.00 0.00 0.00 36.82 39.99 2k0s h ILE 25 CO 0.05 0.01 1.25 2.30 -0.00 0.00 0.00 178.15 181.76 2k0s n ILE 26 N -3.11 0.00 -0.02 0.16 -0.00 -1.09 0.25 119.36 115.57 2k0s n ILE 26 Ca 0.00 1.29 -0.16 0.00 -0.00 0.00 0.00 62.75 63.88 2k0s n ILE 26 Cb 0.28 -2.19 -0.14 0.00 -0.00 0.00 0.00 39.64 37.59 2k0s n ILE 26 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 2k0s n MET 27 N -3.57 0.71 -3.22 6.28 2.81 -1.21 -4.95 117.12 113.98 2k0s n MET 27 Ca 0.36 0.26 0.04 0.00 -1.81 0.00 0.00 57.70 56.55 2k0s n MET 27 Cb 1.72 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 2k0s n MET 27 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2k0s s GLU 28 N -2.57 0.15 0.09 0.03 2.02 0.71 -4.89 118.70 114.24 2k0s s GLU 28 Ca -0.16 0.33 0.15 0.00 0.02 0.00 0.00 54.97 55.30 2k0s s GLU 28 Cb 0.07 0.19 -0.12 0.00 0.10 0.00 0.00 34.13 34.37 2k0s s GLU 28 CO 0.78 -0.11 0.94 0.38 0.02 0.00 0.00 175.26 177.27 2k0s h ASP 29 N 7.64 0.00 -0.56 -0.19 3.04 -1.85 -3.10 116.42 121.39 2k0s h ASP 29 Ca -0.14 0.00 0.09 0.00 -3.24 0.00 0.00 57.03 53.75 2k0s h ASP 29 Cb 1.15 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.33 2k0s h ASP 29 CO -0.03 0.67 -0.40 1.05 -2.04 0.00 0.00 179.24 178.49 2k0s h GLU 30 N 0.00 -0.21 0.00 4.15 4.11 -1.88 0.76 114.58 121.50 2k0s h GLU 30 Ca -0.14 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 2k0s h GLU 30 Cb 1.64 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2k0s h GLU 30 CO 0.06 -0.14 -0.42 0.35 0.07 0.00 0.00 179.01 178.93 2k0s h PHE 31 N -0.22 0.00 -0.37 2.06 3.57 -1.77 -2.52 116.94 117.69 2k0s h PHE 31 Ca 0.19 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.76 2k0s h PHE 31 Cb 0.56 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 2k0s h PHE 31 CO -0.67 0.41 -0.36 1.96 -2.23 0.00 0.00 178.31 177.42 2k0s h GLN 32 N -1.00 -0.28 -0.44 1.11 1.08 -1.54 -1.19 115.11 112.85 2k0s h GLN 32 Ca -0.06 0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 2k0s h GLN 32 Cb 0.57 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2k0s h GLN 32 CO -0.04 -0.19 -0.22 1.25 -0.95 0.00 0.00 178.83 178.68 2k0s h HIS 33 N -0.29 1.02 -0.76 2.96 2.76 0.33 -1.68 115.15 119.49 2k0s h HIS 33 Ca 0.15 -0.24 0.11 0.00 -2.20 0.00 0.00 60.37 58.19 2k0s h HIS 33 Cb 0.56 -0.24 -0.12 0.00 1.55 0.00 0.00 27.41 29.15 2k0s h HIS 33 CO -0.55 1.02 -0.43 1.25 -1.30 0.00 0.00 177.93 177.93 2k0s h LEU 34 N 0.77 -1.52 0.07 0.26 5.85 0.01 1.45 115.31 122.20 2k0s h LEU 34 Ca 0.10 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2k0s h LEU 34 Cb 0.77 0.73 0.00 0.00 0.37 0.00 0.00 40.66 42.53 2k0s h LEU 34 CO 0.06 -0.30 -0.03 1.56 -0.34 0.00 0.00 178.44 179.39 2k0s h GLN 35 N -0.12 -0.09 0.15 1.25 4.20 -1.45 -2.42 115.11 116.63 2k0s h GLN 35 Ca 0.23 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2k0s h GLN 35 Cb 0.55 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2k0s h GLN 35 CO -0.81 0.42 -0.34 1.96 -0.67 0.00 0.00 178.83 179.39 2k0s h GLN 36 N -0.94 -0.52 -0.90 1.46 7.50 -0.99 -1.71 115.11 119.02 2k0s h GLN 36 Ca -0.01 0.04 0.11 0.00 0.50 0.00 0.00 58.65 59.29 2k0s h GLN 36 Cb 0.54 0.12 -0.08 0.00 0.05 0.00 0.00 27.48 28.11 2k0s h GLN 36 CO 0.02 -0.34 0.53 0.66 -1.50 0.00 0.00 178.83 178.19 2k0s h SER 37 N -0.53 0.76 -0.28 1.46 4.64 0.18 -1.97 113.55 117.80 2k0s h SER 37 Ca -0.01 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2k0s h SER 37 Cb 0.51 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.43 2k0s h SER 37 CO -0.15 0.40 -0.32 0.15 -0.87 0.00 0.00 176.83 176.04 2k0s h PHE 38 N 0.85 -0.90 0.14 4.77 3.57 -0.89 0.58 116.94 125.06 2k0s h PHE 38 Ca 0.45 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 2k0s h PHE 38 Cb 0.46 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2k0s h PHE 38 CO -0.04 -0.39 -0.07 0.52 -2.23 0.00 0.00 178.31 176.10 2k0s h MET 39 N -0.31 -0.18 -0.65 1.11 2.86 -0.74 -1.51 114.93 115.50 2k0s h MET 39 Ca 0.14 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 2k0s h MET 39 Cb 0.54 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 2k0s h MET 39 CO -0.46 -0.08 0.43 1.49 1.06 0.00 0.00 176.91 179.35 2k0s h GLU 40 N -0.23 0.47 0.28 1.72 4.57 -0.82 0.17 114.58 120.75 2k0s h GLU 40 Ca -0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2k0s h GLU 40 Cb 0.18 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2k0s h GLU 40 CO 0.03 0.31 -0.13 0.87 -1.18 0.00 0.00 179.01 178.91 2k0s h LYS 41 N 0.49 -0.36 0.00 1.92 1.57 0.61 -1.80 116.57 119.01 2k0s h LYS 41 Ca 0.30 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2k0s h LYS 41 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2k0s h LYS 41 CO -0.09 -0.24 0.15 -0.92 -0.57 0.00 0.00 179.45 177.77 2k0s h TYR 42 N -0.55 0.00 0.06 -1.35 3.20 -1.15 1.11 116.97 118.29 2k0s h TYR 42 Ca -0.04 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2k0s h TYR 42 Cb 0.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2k0s h TYR 42 CO 0.08 0.00 -0.03 1.88 -1.64 0.00 0.00 178.16 178.45 2k0s h TYR 43 N 0.00 -0.08 0.00 -3.82 -1.99 -0.87 -3.36 116.97 106.86 2k0s h TYR 43 Ca 0.00 -0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.36 2k0s h TYR 43 Cb 0.29 0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.99 2k0s h TYR 43 CO 0.00 -0.05 -2.27 -0.11 -0.00 0.00 0.00 178.16 175.74 2k0s n LEU 44 N -4.28 1.86 0.21 3.88 -0.00 -0.68 -4.43 117.00 113.55 2k0s n LEU 44 Ca -0.01 0.21 0.18 0.00 -0.00 0.00 0.00 56.01 56.39 2k0s n LEU 44 Cb 0.03 -0.69 0.79 0.00 -0.00 0.00 0.00 43.42 43.56 2k0s n LEU 44 CO 0.02 0.55 1.16 -0.08 -0.00 0.00 0.00 177.39 179.04 2k0s h GLU 45 N -0.67 0.00 0.00 1.96 4.22 0.10 -3.12 114.58 117.07 2k0s h GLU 45 Ca -0.56 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.88 2k0s h GLU 45 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2k0s h GLU 45 CO -0.30 0.00 0.00 0.34 -2.18 0.00 0.00 179.01 176.87 2k0s n PHE 46 N -3.39 0.00 -3.41 0.92 7.35 0.89 -4.85 117.46 114.97 2k0s n PHE 46 Ca 0.03 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.51 2k0s n PHE 46 Cb 0.48 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.21 2k0s n PHE 46 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2k0s s ASP 47 N -1.71 1.94 0.00 -2.13 -1.08 -1.18 -5.09 116.67 107.42 2k0s s ASP 47 Ca 0.00 -1.33 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 2k0s s ASP 47 Cb 0.00 0.28 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 2k0s s ASP 47 CO 0.00 -0.34 0.00 -0.67 0.52 0.00 0.00 175.17 174.68 2k0s n ASP 48 N 4.75 0.00 -1.09 -0.34 2.03 -1.21 -4.95 116.55 115.74 2k0s n ASP 48 Ca 0.04 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.35 2k0s n ASP 48 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2k0s n ASP 48 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k0s n SER 49 N 0.07 -0.06 0.00 1.67 2.88 -1.26 -4.95 113.62 111.96 2k0s n SER 49 Ca 0.00 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2k0s n SER 49 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2k0s n SER 49 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k0s n GLU 50 N -0.03 0.00 -3.09 -1.46 -0.58 -1.26 -4.93 120.64 109.29 2k0s n GLU 50 Ca -0.00 0.73 -0.09 0.00 -0.42 0.00 0.00 57.16 57.38 2k0s n GLU 50 Cb 0.02 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 2k0s n GLU 50 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2k0s n GLU 51 N -2.36 -1.72 -1.54 3.49 1.02 -1.26 -4.68 120.64 113.60 2k0s n GLU 51 Ca 0.00 1.60 0.00 0.00 -0.02 0.00 0.00 57.16 58.74 2k0s n GLU 51 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 2k0s n GLU 51 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k0s n ASN 52 N 0.64 0.00 -3.29 1.62 4.13 -1.26 -4.54 115.26 112.55 2k0s n ASN 52 Ca -0.00 -0.99 -0.24 0.00 1.68 0.00 0.00 54.58 55.03 2k0s n ASN 52 Cb 0.40 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.87 2k0s n ASN 52 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2k0s n LYS 53 N 0.00 -3.59 -0.19 3.52 5.02 -1.26 -4.20 118.16 117.46 2k0s n LYS 53 Ca 0.00 -1.14 -0.05 0.00 -2.02 0.00 0.00 58.31 55.10 2k0s n LYS 53 Cb 0.00 -1.65 0.13 0.00 -0.02 0.00 0.00 35.03 33.49 2k0s n LYS 53 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k0s h LEU 54 N 0.00 0.91 0.00 -0.35 -0.00 -2.02 0.15 115.31 114.00 2k0s h LEU 54 Ca -0.31 -0.17 -0.29 0.00 -0.00 0.00 0.00 57.88 57.11 2k0s h LEU 54 Cb 1.04 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 41.41 2k0s h LEU 54 CO 0.19 0.88 -1.89 -1.54 -0.00 0.00 0.00 178.44 176.07 2k0s n SER 55 N -4.26 0.58 -0.04 -0.43 3.41 -1.26 -4.24 113.62 107.38 2k0s n SER 55 Ca 0.05 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.79 2k0s n SER 55 Cb 0.24 0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2k0s n SER 55 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2k0s h TYR 56 N 0.00 0.97 -0.02 7.33 -1.99 -1.86 -1.65 116.97 119.76 2k0s h TYR 56 Ca -0.34 -0.37 0.03 0.00 2.00 0.00 0.00 58.73 60.05 2k0s h TYR 56 Cb 2.01 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 40.50 2k0s h TYR 56 CO 0.00 1.17 -0.43 1.15 -0.00 0.00 0.00 178.16 180.05 2k0s h THR 57 N 0.57 0.13 0.06 -2.88 2.02 -0.87 0.38 112.91 112.33 2k0s h THR 57 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k0s h THR 57 Cb 1.20 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2k0s h THR 57 CO 0.13 0.00 -0.03 1.55 0.37 0.00 0.00 175.52 177.54 2k0s h PRO 58 N -0.58 -0.08 -0.82 6.66 0.13 -1.74 -1.87 132.00 133.71 2k0s h PRO 58 Ca 0.05 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.34 2k0s h PRO 58 Cb 0.66 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 2k0s h PRO 58 CO -0.33 0.38 0.54 0.82 -0.23 0.00 0.00 178.00 179.18 2k0s h ILE 59 N -0.57 0.79 0.06 -3.56 1.08 -1.22 0.23 117.51 114.32 2k0s h ILE 59 Ca -0.01 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2k0s h ILE 59 Cb 0.50 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2k0s h ILE 59 CO 0.01 0.09 -0.03 0.15 -0.69 0.00 0.00 178.15 177.68 2k0s h PHE 60 N 0.50 -0.08 -0.29 1.37 3.57 -0.21 -1.79 116.94 120.01 2k0s h PHE 60 Ca 0.41 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.94 2k0s h PHE 60 Cb 0.86 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2k0s h PHE 60 CO -0.00 0.51 0.10 -0.97 -2.23 0.00 0.00 178.31 175.71 2k0s h ASN 61 N -0.79 0.11 -0.07 0.41 -0.73 -0.75 -1.36 115.58 112.39 2k0s h ASN 61 Ca -0.01 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 2k0s h ASN 61 Cb 0.62 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.23 2k0s h ASN 61 CO 0.01 0.10 0.04 -0.33 -0.37 0.00 0.00 177.43 176.88 2k0s h GLU 62 N 0.23 0.10 0.11 6.67 5.08 -0.66 -0.81 114.58 125.29 2k0s h GLU 62 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k0s h GLU 62 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2k0s h GLU 62 CO -0.13 0.17 -0.20 1.88 -1.00 0.00 0.00 179.01 179.73 2k0s h TYR 63 N 0.00 -0.58 -0.84 4.33 -1.99 -1.06 0.46 116.97 117.30 2k0s h TYR 63 Ca 0.02 0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.93 2k0s h TYR 63 Cb 0.11 0.24 -0.10 0.00 2.00 0.00 0.00 36.73 38.97 2k0s h TYR 63 CO -0.04 -0.24 0.39 0.82 -0.00 0.00 0.00 178.16 179.09 2k0s h ILE 64 N -0.33 0.64 -0.84 -2.88 1.08 -1.30 0.54 117.51 114.42 2k0s h ILE 64 Ca -0.01 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.26 2k0s h ILE 64 Cb 0.31 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 2k0s h ILE 64 CO -0.08 0.09 0.42 -0.08 -0.69 0.00 0.00 178.15 177.82 2k0s h GLU 65 N 0.51 1.19 0.70 2.37 4.57 -0.69 0.26 114.58 123.49 2k0s h GLU 65 Ca 0.48 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 2k0s h GLU 65 Cb 0.76 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2k0s h GLU 65 CO -0.42 0.91 -0.34 0.82 -1.18 0.00 0.00 179.01 178.80 2k0s h ILE 66 N 1.18 0.28 -0.50 2.32 2.04 0.21 -1.63 117.51 121.42 2k0s h ILE 66 Ca 0.29 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 2k0s h ILE 66 Cb 0.09 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2k0s h ILE 66 CO -0.04 0.01 0.11 0.25 0.00 0.00 0.00 178.15 178.48 2k0s h LEU 67 N -1.00 0.71 0.39 1.44 6.46 -1.26 0.08 115.31 122.14 2k0s h LEU 67 Ca -0.10 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 2k0s h LEU 67 Cb 0.74 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 2k0s h LEU 67 CO 0.16 0.71 -0.36 -0.33 -0.62 0.00 0.00 178.44 178.00 2k0s h GLU 68 N 0.74 -0.74 -0.18 1.25 4.39 -0.35 0.30 114.58 120.00 2k0s h GLU 68 Ca 0.16 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2k0s h GLU 68 Cb 0.29 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2k0s h GLU 68 CO 0.00 -0.49 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.12 2k0s h LYS 69 N -0.77 0.33 -0.08 2.33 3.11 -1.21 0.29 116.57 120.57 2k0s h LYS 69 Ca -0.03 -0.12 0.04 0.00 -2.81 0.00 0.00 60.65 57.73 2k0s h LYS 69 Cb 0.68 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.84 2k0s h LYS 69 CO -0.04 0.57 -0.22 1.25 -2.81 0.00 0.00 179.45 178.19 2k0s h HIS 70 N 0.05 -0.60 0.00 1.91 2.76 -0.88 -1.61 115.15 116.78 2k0s h HIS 70 Ca 0.05 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.13 2k0s h HIS 70 Cb 0.44 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 2k0s h HIS 70 CO 0.04 -0.31 -0.52 -0.07 -1.30 0.00 0.00 177.93 175.78 2k0s h LEU 71 N -0.31 0.00 0.21 0.26 3.38 -0.40 -1.59 115.31 116.85 2k0s h LEU 71 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2k0s h LEU 71 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2k0s h LEU 71 CO -0.26 0.52 -0.26 -0.08 0.09 0.00 0.00 178.44 178.45 2k0s h GLU 72 N 0.00 -0.51 -0.01 1.13 4.81 0.49 0.39 114.58 120.89 2k0s h GLU 72 Ca -0.01 0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 2k0s h GLU 72 Cb 0.98 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.48 2k0s h GLU 72 CO 0.07 -0.34 -0.97 0.37 -0.73 0.00 0.00 179.01 177.41 2k0s h GLN 73 N -0.52 0.58 -0.35 1.92 5.75 -1.38 -0.82 115.11 120.29 2k0s h GLN 73 Ca 0.01 -0.60 0.01 0.00 -0.15 0.00 0.00 58.65 57.91 2k0s h GLN 73 Cb 0.51 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 2k0s h GLN 73 CO -0.09 1.22 0.23 1.96 -2.65 0.00 0.00 178.83 179.49 2k0s h GLN 74 N 0.33 0.45 0.18 1.69 1.08 -1.14 0.06 115.11 117.76 2k0s h GLN 74 Ca -0.10 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2k0s h GLN 74 Cb 1.61 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 2k0s h GLN 74 CO 0.18 0.30 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.20 2k0s h LEU 75 N 0.46 -0.21 -1.81 1.46 4.07 -0.28 -3.28 115.31 115.73 2k0s h LEU 75 Ca 0.13 0.01 0.26 0.00 0.08 0.00 0.00 57.88 58.36 2k0s h LEU 75 Cb -0.04 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 2k0s h LEU 75 CO -0.03 0.26 0.80 1.62 -1.08 0.00 0.00 178.44 180.01 2k0s h VAL 76 N -1.06 0.30 -1.14 1.22 3.04 -1.21 0.34 116.25 117.74 2k0s h VAL 76 Ca -0.03 0.00 0.36 0.00 -1.01 0.00 0.00 66.70 66.03 2k0s h VAL 76 Cb 0.19 0.40 -0.13 0.00 -2.01 0.00 0.00 31.29 29.74 2k0s h VAL 76 CO 0.04 0.00 0.71 -0.08 -1.01 0.00 0.00 177.57 177.23 2k0s h GLU 77 N 0.00 0.22 0.00 4.17 4.22 -1.03 -3.11 114.58 119.05 2k0s h GLU 77 Ca 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.86 2k0s h GLU 77 Cb 2.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.23 2k0s h GLU 77 CO -0.00 0.15 -0.59 0.54 -2.18 0.00 0.00 179.01 176.92 2k0s n ARG 78 N -4.82 2.39 -4.01 1.92 5.12 -0.06 -5.04 116.66 112.15 2k0s n ARG 78 Ca 0.33 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.93 2k0s n ARG 78 Cb 1.16 -0.80 -0.03 0.00 -1.16 0.00 0.00 32.46 31.63 2k0s n ARG 78 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2k0s n ILE 79 N -1.27 -1.47 -2.09 0.55 0.13 0.10 -4.77 119.36 110.54 2k0s n ILE 79 Ca 0.00 -0.45 -0.43 0.00 -1.10 0.00 0.00 62.75 60.77 2k0s n ILE 79 Cb 0.23 -1.31 -0.03 0.00 -0.84 0.00 0.00 39.64 37.69 2k0s n ILE 79 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 2k0s s PRO 80 N -6.83 3.42 0.16 9.51 0.04 -1.26 -4.87 135.00 135.17 2k0s s PRO 80 Ca 0.20 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.60 2k0s s PRO 80 Cb -0.11 -4.15 0.45 0.00 0.04 0.00 0.00 34.50 30.72 2k0s s PRO 80 CO 0.81 -1.76 0.78 0.41 0.04 0.00 0.00 177.00 177.28 2k0s n GLY 81 N 5.32 -0.61 3.49 0.56 0.00 -1.18 -4.35 105.19 108.43 2k0s n GLY 81 Ca 0.21 0.47 -0.36 0.00 0.00 0.00 0.00 46.02 46.34 2k0s n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k0s n PHE 82 N -4.48 -0.51 -1.26 1.61 3.72 -1.26 -4.39 117.46 110.89 2k0s n PHE 82 Ca 0.13 0.37 -0.34 0.00 -0.05 0.00 0.00 57.45 57.56 2k0s n PHE 82 Cb 0.44 -1.95 -0.09 0.00 -0.94 0.00 0.00 39.48 36.94 2k0s n PHE 82 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2k0s n ASN 83 N -0.37 1.96 0.04 4.37 0.23 -1.26 -4.52 115.26 115.70 2k0s n ASN 83 Ca 0.11 -2.59 0.12 0.00 -0.53 0.00 0.00 54.58 51.69 2k0s n ASN 83 Cb 0.49 -1.21 0.22 0.00 -2.08 0.00 0.00 39.78 37.21 2k0s n ASN 83 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 2k0s n MET 84 N 7.82 0.17 0.00 -3.83 0.00 -1.26 -4.81 117.12 115.21 2k0s n MET 84 Ca 0.46 0.05 0.00 0.00 0.00 0.00 0.00 57.70 58.21 2k0s n MET 84 Cb 0.44 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 32.05 2k0s n MET 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2k0s n ASP 85 N -1.86 0.00 0.31 3.17 9.92 -1.26 -4.14 116.55 122.68 2k0s n ASP 85 Ca 0.04 0.00 0.19 0.00 -0.53 0.00 0.00 54.79 54.49 2k0s n ASP 85 Cb 0.40 0.00 0.96 0.00 -0.64 0.00 0.00 41.12 41.84 2k0s n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k0s h ALA 86 N 0.00 1.33 0.02 2.24 0.00 -1.90 -2.27 119.26 118.68 2k0s h ALA 86 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k0s h ALA 86 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k0s h ALA 86 CO 0.00 -0.22 -0.18 0.74 0.00 0.00 0.00 179.25 179.60 2k0s h PHE 87 N 0.00 -0.46 -0.21 0.00 0.04 -1.95 -1.26 116.94 113.10 2k0s h PHE 87 Ca 0.02 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.87 2k0s h PHE 87 Cb 0.41 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2k0s h PHE 87 CO 0.00 -0.26 0.15 0.00 -0.60 0.00 0.00 178.31 177.60 2k0s h THR 88 N -0.30 0.88 0.61 -1.55 1.03 -1.74 0.80 112.91 112.65 2k0s h THR 88 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.42 2k0s h THR 88 Cb 0.36 0.90 0.01 0.00 -1.07 0.00 0.00 68.15 68.34 2k0s h THR 88 CO -0.16 0.00 -0.29 0.45 -0.01 0.00 0.00 175.52 175.51 2k0s h HIS 89 N 0.00 -0.76 0.00 0.00 3.86 -1.33 0.29 115.15 117.21 2k0s h HIS 89 Ca 0.10 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2k0s h HIS 89 Cb 0.40 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2k0s h HIS 89 CO 0.00 -0.47 0.00 1.03 0.86 0.00 0.00 177.93 179.35 2k0s h SER 90 N -0.99 0.00 0.04 2.45 0.87 -1.21 -2.97 113.55 111.74 2k0s h SER 90 Ca -0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2k0s h SER 90 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2k0s h SER 90 CO 0.14 0.00 -0.02 0.25 -0.53 0.00 0.00 176.83 176.67 2k0s h LEU 91 N 0.00 -0.04 0.00 2.23 5.85 0.66 -3.42 115.31 120.59 2k0s h LEU 91 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2k0s h LEU 91 Cb 0.68 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2k0s h LEU 91 CO 0.00 0.53 0.00 1.17 -0.34 0.00 0.00 178.44 179.80 2k0s n LYS 92 N -4.79 0.00 0.00 1.25 4.81 0.10 -4.93 118.16 114.61 2k0s n LYS 92 Ca -0.02 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2k0s n LYS 92 Cb 0.10 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.38 2k0s n LYS 92 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2k0s n GLN 93 N -0.41 0.00 -0.69 1.64 6.02 -1.23 -5.04 117.38 117.68 2k0s n GLN 93 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2k0s n GLN 93 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 2k0s n GLN 93 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2k0s n HIS 94 N -1.30 0.00 0.19 1.08 -0.00 -1.21 -4.80 115.22 109.18 2k0s n HIS 94 Ca 0.00 -0.18 0.10 0.00 -0.00 0.00 0.00 57.72 57.64 2k0s n HIS 94 Cb 0.00 0.33 0.53 0.00 -0.00 0.00 0.00 29.99 30.84 2k0s n HIS 94 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2k0s h LYS 95 N 0.01 0.00 -0.75 1.57 1.63 -1.84 -1.85 116.57 115.34 2k0s h LYS 95 Ca -0.20 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 59.82 2k0s h LYS 95 Cb 1.16 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 2k0s h LYS 95 CO -0.10 0.00 0.68 0.38 -3.45 0.00 0.00 179.45 176.96 2k0s h ASP 96 N 0.00 0.00 0.18 4.20 3.04 -1.90 -1.04 116.42 120.90 2k0s h ASP 96 Ca 0.00 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.80 2k0s h ASP 96 Cb 0.39 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.65 2k0s h ASP 96 CO 0.00 0.00 -0.30 1.05 -2.04 0.00 0.00 179.24 177.95 2k0s h GLU 97 N 0.00 -0.53 0.00 4.15 -0.00 -1.51 -1.24 114.58 115.44 2k0s h GLU 97 Ca 0.36 0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.75 2k0s h GLU 97 Cb 1.72 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 30.59 2k0s h GLU 97 CO -0.00 -0.36 0.00 1.55 -0.00 0.00 0.00 179.01 180.20 2k0s n VAL 98 N -5.41 0.00 -3.56 -1.06 3.14 -0.40 -4.42 118.33 106.63 2k0s n VAL 98 Ca -0.07 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.91 2k0s n VAL 98 Cb 0.32 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.04 2k0s n VAL 98 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2k0s s SER 99 N 0.00 6.01 -0.03 6.55 0.15 -1.26 -4.90 113.70 120.22 2k0s s SER 99 Ca 0.00 -3.11 -0.02 0.00 0.70 0.00 0.00 55.95 53.52 2k0s s SER 99 Cb 0.00 -1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.31 2k0s s SER 99 CO 0.00 -0.37 -0.05 0.61 1.20 0.00 0.00 173.24 174.64 2k0s n GLY 100 N 3.24 -0.56 0.09 9.45 0.00 -1.26 -3.74 105.19 112.40 2k0s n GLY 100 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2k0s n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k0s h ASP 101 N -0.18 0.15 -0.71 1.61 3.32 -2.00 -2.85 116.42 115.76 2k0s h ASP 101 Ca 0.00 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.81 2k0s h ASP 101 Cb 0.13 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2k0s h ASP 101 CO 0.00 0.36 0.47 -0.29 -1.72 0.00 0.00 179.24 178.06 2k0s h ILE 102 N -0.06 1.18 0.56 0.35 6.09 -1.94 0.46 117.51 124.14 2k0s h ILE 102 Ca 0.03 -0.33 -0.02 0.00 -1.37 0.00 0.00 64.86 63.17 2k0s h ILE 102 Cb 0.27 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 37.68 2k0s h ILE 102 CO 0.00 0.17 -0.42 0.25 -3.07 0.00 0.00 178.15 175.09 2k0s h LEU 103 N 0.96 -1.09 -0.51 2.19 7.12 -1.61 0.23 115.31 122.61 2k0s h LEU 103 Ca 0.26 0.07 -0.16 0.00 0.13 0.00 0.00 57.88 58.19 2k0s h LEU 103 Cb -0.11 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 2k0s h LEU 103 CO -0.06 -0.61 -0.49 -0.78 -0.13 0.00 0.00 178.44 176.37 2k0s h ASP 104 N -0.95 0.71 -0.37 1.25 1.82 -1.33 0.62 116.42 118.17 2k0s h ASP 104 Ca -0.06 -0.35 0.02 0.00 -0.39 0.00 0.00 57.03 56.24 2k0s h ASP 104 Cb 0.80 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 2k0s h ASP 104 CO 0.02 1.08 0.21 0.24 -1.61 0.00 0.00 179.24 179.18 2k0s h MET 105 N 0.51 0.42 0.02 0.28 2.86 0.07 -1.87 114.93 117.23 2k0s h MET 105 Ca 0.02 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2k0s h MET 105 Cb 1.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2k0s h MET 105 CO 0.10 0.28 -0.68 -0.07 1.06 0.00 0.00 176.91 177.60 2k0s h LEU 106 N 0.43 0.08 -1.48 1.22 -0.00 -0.52 -3.34 115.31 111.70 2k0s h LEU 106 Ca 0.15 -0.80 0.37 0.00 -0.00 0.00 0.00 57.88 57.59 2k0s h LEU 106 Cb 0.01 -0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 40.54 2k0s h LEU 106 CO -0.07 1.28 0.81 0.25 -0.00 0.00 0.00 178.44 180.71 2k0s h LEU 107 N -0.87 0.28 -0.94 1.67 7.12 0.38 0.74 115.31 123.69 2k0s h LEU 107 Ca -0.17 0.10 0.29 0.00 0.13 0.00 0.00 57.88 58.22 2k0s h LEU 107 Cb 1.25 0.06 -0.16 0.00 -0.53 0.00 0.00 40.66 41.28 2k0s h LEU 107 CO -0.06 -0.05 0.31 0.00 -0.13 0.00 0.00 178.44 178.51 2k0s h THR 108 N 0.19 0.21 0.00 1.05 1.03 -1.46 -3.37 112.91 110.55 2k0s h THR 108 Ca 0.71 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 67.06 2k0s h THR 108 Cb 2.20 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 2k0s h THR 108 CO -0.31 0.03 -0.27 0.33 -0.01 0.00 0.00 175.52 175.29 2k0s n PHE 109 N -5.25 -0.59 -3.16 0.00 7.35 0.46 -5.00 117.46 111.27 2k0s n PHE 109 Ca 0.26 0.10 -0.45 0.00 -0.76 0.00 0.00 57.45 56.61 2k0s n PHE 109 Cb 0.86 0.29 -0.05 0.00 0.35 0.00 0.00 39.48 40.93 2k0s n PHE 109 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2k0s s THR 110 N -2.00 4.93 0.20 -2.13 2.01 0.23 -5.04 115.64 113.83 2k0s s THR 110 Ca 0.00 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 60.93 2k0s s THR 110 Cb 0.00 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2k0s s THR 110 CO 0.00 -1.06 0.05 1.51 -0.69 0.00 0.00 174.62 174.43 2k0s s ASP 111 N 3.62 4.98 0.50 3.53 -4.77 -1.26 -2.92 116.67 120.35 2k0s s ASP 111 Ca 0.09 -0.37 0.29 0.00 -3.30 0.00 0.00 52.55 49.26 2k0s s ASP 111 Cb -0.26 -1.12 1.58 0.00 -1.09 0.00 0.00 42.92 42.03 2k0s s ASP 111 CO 0.05 0.05 1.87 2.19 0.70 0.00 0.00 175.17 180.03 2k0s h PHE 112 N 2.30 0.00 -0.92 2.11 -0.00 -1.83 -2.97 116.94 115.63 2k0s h PHE 112 Ca -0.47 0.00 0.18 0.00 -0.00 0.00 0.00 57.97 57.69 2k0s h PHE 112 Cb 1.22 0.00 -0.17 0.00 -0.00 0.00 0.00 35.95 36.99 2k0s h PHE 112 CO 0.62 0.00 -0.23 -0.12 -0.00 0.00 0.00 178.31 178.58 2k0s n MET 113 N -2.60 -0.08 -0.03 6.09 1.56 -1.26 0.26 117.12 121.05 2k0s n MET 113 Ca -0.02 1.43 -0.08 0.00 -0.27 0.00 0.00 57.70 58.77 2k0s n MET 113 Cb 0.17 -2.14 -0.07 0.00 2.15 0.00 0.00 33.22 33.33 2k0s n MET 113 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k0s h ALA 114 N 1.84 -0.05 0.56 -5.12 0.00 -1.95 -2.77 119.26 111.76 2k0s h ALA 114 Ca 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2k0s h ALA 114 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k0s h ALA 114 CO -0.95 -0.07 -0.32 0.74 0.00 0.00 0.00 179.25 178.66 2k0s h PHE 115 N -0.98 -0.84 -0.99 0.00 -1.00 -1.41 -2.84 116.94 108.89 2k0s h PHE 115 Ca -0.01 -0.01 0.21 0.00 2.81 0.00 0.00 57.97 60.97 2k0s h PHE 115 Cb 0.50 0.29 -0.11 0.00 3.61 0.00 0.00 35.95 40.24 2k0s h PHE 115 CO 0.13 -0.49 0.59 -0.22 -1.61 0.00 0.00 178.31 176.71 2k0s h LYS 116 N -0.82 0.66 -0.33 1.51 3.11 0.33 0.61 116.57 121.65 2k0s h LYS 116 Ca -0.08 -0.04 0.04 0.00 -2.81 0.00 0.00 60.65 57.77 2k0s h LYS 116 Cb 0.64 -0.15 -0.08 0.00 -1.00 0.00 0.00 32.23 31.65 2k0s h LYS 116 CO 0.10 0.43 -0.55 1.49 -2.81 0.00 0.00 179.45 178.11 2k0s h GLU 117 N 0.68 -0.44 0.00 1.90 4.57 -1.26 0.97 114.58 121.01 2k0s h GLU 117 Ca 0.60 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.81 2k0s h GLU 117 Cb 1.01 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2k0s h GLU 117 CO -0.42 -0.29 -0.00 0.52 -1.18 0.00 0.00 179.01 177.63 2k0s h MET 118 N -0.45 -0.00 0.21 1.92 2.86 -1.20 -2.71 114.93 115.55 2k0s h MET 118 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2k0s h MET 118 Cb 0.62 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 2k0s h MET 118 CO -0.55 0.75 -0.45 0.74 1.06 0.00 0.00 176.91 178.47 2k0s h PHE 119 N -0.99 -1.28 -0.61 -0.22 0.04 0.25 -0.96 116.94 113.16 2k0s h PHE 119 Ca -0.00 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.87 2k0s h PHE 119 Cb 0.76 0.53 -0.06 0.00 2.20 0.00 0.00 35.95 39.38 2k0s h PHE 119 CO 0.21 -0.53 0.29 1.15 -0.60 0.00 0.00 178.31 178.83 2k0s h THR 120 N -0.72 0.88 -0.88 -1.55 2.02 0.85 0.29 112.91 113.81 2k0s h THR 120 Ca -0.02 -0.18 0.16 0.00 0.77 0.00 0.00 66.41 67.13 2k0s h THR 120 Cb 0.68 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 67.29 2k0s h THR 120 CO -0.19 0.10 0.46 -0.78 0.37 0.00 0.00 175.52 175.49 2k0s h ASP 121 N 0.54 0.56 0.02 4.18 3.58 -1.11 0.62 116.42 124.81 2k0s h ASP 121 Ca 0.29 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.84 2k0s h ASP 121 Cb 0.26 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k0s h ASP 121 CO -0.23 0.22 -0.01 1.88 -2.88 0.00 0.00 179.24 178.22 2k0s h TYR 122 N 0.63 -0.03 -0.74 0.28 0.05 -0.18 -2.02 116.97 114.98 2k0s h TYR 122 Ca 0.49 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.42 2k0s h TYR 122 Cb 0.72 0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.36 2k0s h TYR 122 CO -0.08 0.27 0.24 0.00 -1.05 0.00 0.00 178.16 177.54 2k0s h ARG 123 N -1.00 0.35 0.33 4.88 2.47 -0.29 0.30 114.38 121.41 2k0s h ARG 123 Ca -0.00 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2k0s h ARG 123 Cb 0.31 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2k0s h ARG 123 CO 0.00 0.23 -0.16 0.00 0.56 0.00 0.00 179.97 180.61 2k0s h ALA 124 N 1.57 -0.65 -0.55 0.04 0.00 0.12 -3.04 119.26 116.76 2k0s h ALA 124 Ca 0.41 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.38 2k0s h ALA 124 Cb 0.66 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k0s h ALA 124 CO -0.45 -0.62 0.68 1.49 0.00 0.00 0.00 179.25 180.36 2k0s h GLU 125 N -0.72 0.00 -0.00 0.00 4.81 -1.18 0.14 114.58 117.63 2k0s h GLU 125 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k0s h GLU 125 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2k0s h GLU 125 CO 0.07 0.00 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.13 2k0s h LYS 126 N 0.00 0.01 0.00 1.92 3.64 -0.36 -2.92 116.57 118.86 2k0s h LYS 126 Ca 0.26 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2k0s h LYS 126 Cb 1.62 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 2k0s h LYS 126 CO -0.00 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 177.96 2k0s n GLU 127 N -4.90 0.19 0.00 1.90 -0.58 0.41 -4.84 120.64 112.83 2k0s n GLU 127 Ca -0.08 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2k0s n GLU 127 Cb 0.21 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 2k0s n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k0s n GLY 128 N 0.35 0.99 0.37 0.62 0.00 -0.69 -5.03 105.19 101.79 2k0s n GLY 128 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2k0s n GLY 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k0s n ARG 129 N 0.00 -0.38 0.00 1.61 0.00 -0.66 -4.94 116.66 112.29 2k0s n ARG 129 Ca 0.00 1.36 0.06 0.00 -0.00 0.00 0.00 57.85 59.28 2k0s n ARG 129 Cb 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 32.46 30.51 2k0s n ARG 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04