#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 -2.52 -3.65 1.61 -0.00 -1.26 -5.13 115.22 104.27 2k0s n HIS 2 Ca 0.00 -1.40 -0.05 0.00 -0.00 0.00 0.00 57.72 56.27 2k0s n HIS 2 Cb 0.00 1.42 -0.06 0.00 -0.00 0.00 0.00 29.99 31.34 2k0s n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k0s s HIS 3 N 0.55 -1.11 -0.30 -1.40 3.76 -1.26 -4.80 115.29 110.73 2k0s s HIS 3 Ca 0.30 2.12 -0.12 0.00 -0.15 0.00 0.00 55.06 57.21 2k0s s HIS 3 Cb 0.21 0.65 0.18 0.00 1.11 0.00 0.00 32.58 34.73 2k0s s HIS 3 CO -0.19 -0.56 1.02 -3.38 -0.85 0.00 0.00 174.74 170.79 2k0s s HIS 4 N 2.03 -0.59 -0.60 1.40 0.00 -1.26 -5.09 115.29 111.18 2k0s s HIS 4 Ca -0.08 0.56 0.06 0.00 -3.00 0.00 0.00 55.06 52.60 2k0s s HIS 4 Cb -0.08 0.18 0.24 0.00 -4.00 0.00 0.00 32.58 28.93 2k0s s HIS 4 CO -0.19 -0.33 0.68 0.72 -1.00 0.00 0.00 174.74 174.62 2k0s n HIS 5 N 5.40 2.88 0.00 0.38 -0.00 -1.26 -4.85 115.22 117.77 2k0s n HIS 5 Ca -0.03 -4.06 0.00 0.00 -0.00 0.00 0.00 57.72 53.63 2k0s n HIS 5 Cb 0.54 -0.51 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 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 1.09 -0.86 -3.01 4.41 8.25 -1.26 -5.04 115.22 118.80 2k0s n HIS 6 Ca 0.28 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.29 2k0s n HIS 6 Cb 0.42 0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.79 2k0s n HIS 6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k0s s HIS 7 N -0.56 3.28 0.00 4.41 3.76 -1.26 -4.08 115.29 120.83 2k0s s HIS 7 Ca 0.00 -1.56 0.00 0.00 -0.15 0.00 0.00 55.06 53.35 2k0s s HIS 7 Cb 0.00 -4.19 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2k0s s HIS 7 CO 0.00 -1.38 0.00 -0.11 -0.85 0.00 0.00 174.74 172.40 2k0s n LEU 8 N 5.97 0.00 -3.29 0.89 0.00 -1.26 -5.01 117.00 114.29 2k0s n LEU 8 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.90 2k0s n LEU 8 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.88 2k0s n LEU 8 CO 0.48 0.00 3.00 -1.84 0.00 0.00 0.00 177.39 179.03 2k0s n GLU 9 N -0.21 3.08 -0.30 1.96 0.28 -1.26 -3.68 120.64 120.52 2k0s n GLU 9 Ca 0.00 -1.96 0.00 0.00 -0.16 0.00 0.00 57.16 55.04 2k0s n GLU 9 Cb 0.00 -2.71 0.00 0.00 1.43 0.00 0.00 31.44 30.16 2k0s n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k0s n ASP 10 N 3.98 0.00 0.00 -1.84 8.00 -1.26 -4.85 116.55 120.59 2k0s n ASP 10 Ca 0.66 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2k0s n ASP 10 Cb 0.21 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.00 2.10 -3.13 2.24 0.00 -1.24 -5.00 120.51 115.47 2k0s n ALA 11 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2k0s n ALA 11 Cb 0.59 0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 2k0s n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0s n ASP 12 N -1.82 -1.49 0.01 0.00 -0.08 -1.26 -5.01 116.55 106.90 2k0s n ASP 12 Ca 0.00 -2.63 -0.10 0.00 -1.51 0.00 0.00 54.79 50.55 2k0s n ASP 12 Cb 0.11 0.30 -0.04 0.00 2.34 0.00 0.00 41.12 43.83 2k0s n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0s h ALA 13 N 5.16 -0.03 -0.65 -1.67 0.00 -1.91 -2.47 119.26 117.70 2k0s h ALA 13 Ca 0.16 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2k0s h ALA 13 Cb 0.98 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2k0s h ALA 13 CO 0.27 -0.56 0.10 1.49 0.00 0.00 0.00 179.25 180.55 2k0s h GLU 14 N -0.12 0.21 -0.54 0.00 4.57 -1.98 -0.56 114.58 116.15 2k0s h GLU 14 Ca 0.06 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 2k0s h GLU 14 Cb 0.21 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 2k0s h GLU 14 CO -0.15 0.14 0.03 0.35 -1.18 0.00 0.00 179.01 178.19 2k0s h PHE 15 N 0.21 0.02 -0.48 0.92 3.57 -1.87 0.10 116.94 119.42 2k0s h PHE 15 Ca 0.35 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.82 2k0s h PHE 15 Cb 0.56 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2k0s h PHE 15 CO -0.29 -0.10 0.04 0.22 -2.23 0.00 0.00 178.31 175.94 2k0s h ASP 16 N 0.15 0.74 0.61 0.41 3.58 -0.95 -1.55 116.42 119.40 2k0s h ASP 16 Ca 0.28 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2k0s h ASP 16 Cb 0.42 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.28 2k0s h ASP 16 CO -0.43 0.78 -0.30 0.40 -2.88 0.00 0.00 179.24 176.82 2k0s h ILE 17 N 0.73 0.37 -0.97 2.25 2.04 0.28 -1.77 117.51 120.44 2k0s h ILE 17 Ca 0.15 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2k0s h ILE 17 Cb 0.40 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2k0s h ILE 17 CO 0.01 0.02 0.64 -0.37 0.00 0.00 0.00 178.15 178.45 2k0s h VAL 18 N -0.90 1.20 0.25 1.67 -1.51 -1.08 -1.92 116.25 113.97 2k0s h VAL 18 Ca -0.08 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2k0s h VAL 18 Cb 0.66 -0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 29.62 2k0s h VAL 18 CO 0.14 0.23 -0.29 0.40 -1.23 0.00 0.00 177.57 176.82 2k0s h ILE 19 N 1.26 0.38 0.03 7.19 1.08 -1.16 0.22 117.51 126.52 2k0s h ILE 19 Ca 0.38 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.86 2k0s h ILE 19 Cb -0.05 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 2k0s h ILE 19 CO -0.11 0.00 -0.09 1.23 -0.69 0.00 0.00 178.15 178.49 2k0s h GLY 20 N -0.60 -0.14 1.97 5.37 0.00 -1.09 -1.99 103.07 106.59 2k0s h GLY 20 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2k0s h GLY 20 CO -0.08 -0.10 0.01 3.43 0.00 0.00 0.00 176.54 179.80 2k0s h ASN 21 N -0.18 0.04 -0.62 0.19 2.35 -1.23 -1.97 115.58 114.16 2k0s h ASN 21 Ca 0.03 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2k0s h ASN 21 Cb 0.21 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2k0s h ASN 21 CO -0.07 0.04 0.14 0.40 -1.65 0.00 0.00 177.43 176.29 2k0s h ILE 22 N 0.05 1.25 0.00 2.81 1.08 0.18 0.65 117.51 123.53 2k0s h ILE 22 Ca 0.01 -0.93 -0.03 0.00 -0.39 0.00 0.00 64.86 63.52 2k0s h ILE 22 Cb 0.01 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2k0s h ILE 22 CO -0.00 0.35 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.32 2k0s h GLU 23 N 0.91 0.00 0.08 2.37 5.08 -0.90 -2.69 114.58 119.44 2k0s h GLU 23 Ca 0.19 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 2k0s h GLU 23 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2k0s h GLU 23 CO 0.00 0.15 -1.98 -3.47 -1.00 0.00 0.00 179.01 172.72 2k0s n ASP 24 N -3.34 1.76 0.26 1.42 -0.08 -0.91 -4.01 116.55 111.65 2k0s n ASP 24 Ca -0.00 0.23 0.17 0.00 -1.51 0.00 0.00 54.79 53.68 2k0s n ASP 24 Cb 0.37 -0.59 0.77 0.00 2.34 0.00 0.00 41.12 44.01 2k0s n ASP 24 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2k0s h ILE 25 N 0.05 0.00 0.00 5.18 -0.00 0.37 -3.05 117.51 120.06 2k0s h ILE 25 Ca -0.41 -0.29 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 2k0s h ILE 25 Cb 2.03 1.19 0.00 0.00 -0.00 0.00 0.00 36.82 40.04 2k0s h ILE 25 CO 0.07 0.00 0.69 0.16 -0.00 0.00 0.00 178.15 179.08 2k0s h ILE 26 N 0.00 0.00 0.04 0.16 -2.65 -1.61 1.74 117.51 115.19 2k0s h ILE 26 Ca 0.00 0.00 -0.30 0.00 1.03 0.00 0.00 64.86 65.59 2k0s h ILE 26 Cb 0.31 0.20 -0.03 0.00 -2.05 0.00 0.00 36.82 35.25 2k0s h ILE 26 CO 0.00 0.00 -1.66 0.24 0.03 0.00 0.00 178.15 176.76 2k0s h MET 27 N 0.00 0.09 -3.53 0.16 2.86 -1.82 -3.45 114.93 109.25 2k0s h MET 27 Ca 0.00 -0.16 -0.20 0.00 -2.06 0.00 0.00 59.70 57.27 2k0s h MET 27 Cb 1.39 0.06 -0.27 0.00 0.06 0.00 0.00 31.60 32.84 2k0s h MET 27 CO 0.00 0.79 -0.61 -1.21 1.06 0.00 0.00 176.91 176.93 2k0s s GLU 28 N -2.60 0.12 -0.08 1.72 2.02 0.59 -4.64 118.70 115.83 2k0s s GLU 28 Ca -0.08 0.09 -0.13 0.00 0.02 0.00 0.00 54.97 54.87 2k0s s GLU 28 Cb 0.08 0.06 -0.10 0.00 0.10 0.00 0.00 34.13 34.26 2k0s s GLU 28 CO 0.82 -0.02 0.48 0.22 0.02 0.00 0.00 175.26 176.78 2k0s h ASP 29 N 5.93 -0.13 -1.16 -0.19 1.82 -1.69 -3.30 116.42 117.70 2k0s h ASP 29 Ca -0.25 -0.26 0.35 0.00 -0.39 0.00 0.00 57.03 56.49 2k0s h ASP 29 Cb 1.20 0.03 -0.12 0.00 0.68 0.00 0.00 39.33 41.13 2k0s h ASP 29 CO 0.45 0.45 0.73 -0.08 -1.61 0.00 0.00 179.24 179.18 2k0s h GLU 30 N -0.99 0.23 -0.46 0.28 4.81 -1.92 0.17 114.58 116.69 2k0s h GLU 30 Ca -0.02 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2k0s h GLU 30 Cb 0.38 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.62 2k0s h GLU 30 CO 0.03 0.15 -0.14 0.74 -0.73 0.00 0.00 179.01 179.06 2k0s h PHE 31 N 0.23 -0.31 -0.36 0.92 -1.00 -1.91 -0.83 116.94 113.69 2k0s h PHE 31 Ca 0.73 0.04 -0.12 0.00 2.81 0.00 0.00 57.97 61.43 2k0s h PHE 31 Cb 2.03 0.21 -0.01 0.00 3.61 0.00 0.00 35.95 41.78 2k0s h PHE 31 CO -0.01 -0.22 -0.27 0.37 -1.61 0.00 0.00 178.31 176.58 2k0s h GLN 32 N -0.03 0.73 -0.67 1.51 5.75 -0.80 -2.56 115.11 119.04 2k0s h GLN 32 Ca 0.22 -0.31 0.14 0.00 -0.15 0.00 0.00 58.65 58.54 2k0s h GLN 32 Cb 0.37 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 28.79 2k0s h GLN 32 CO -0.49 0.92 0.15 1.25 -2.65 0.00 0.00 178.83 178.01 2k0s h HIS 33 N 0.63 0.23 0.22 3.99 -0.00 -0.73 0.75 115.15 120.25 2k0s h HIS 33 Ca 0.08 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 2k0s h HIS 33 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 2k0s h HIS 33 CO 0.04 -0.06 -0.11 1.25 -0.00 0.00 0.00 177.93 179.05 2k0s h LEU 34 N 0.26 -0.25 0.12 0.26 7.12 -1.32 -1.70 115.31 119.81 2k0s h LEU 34 Ca 0.36 -0.26 0.02 0.00 0.13 0.00 0.00 57.88 58.13 2k0s h LEU 34 Cb 0.58 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.73 2k0s h LEU 34 CO -0.46 0.25 -0.39 1.56 -0.13 0.00 0.00 178.44 179.27 2k0s h GLN 35 N -0.90 -0.60 -0.78 1.25 1.08 -1.12 -1.27 115.11 112.77 2k0s h GLN 35 Ca -0.03 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2k0s h GLN 35 Cb 0.50 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.02 2k0s h GLN 35 CO 0.05 -0.40 0.51 -0.56 -0.95 0.00 0.00 178.83 177.48 2k0s h GLN 36 N -0.63 0.81 -0.78 1.46 -0.00 0.38 -1.64 115.11 114.72 2k0s h GLN 36 Ca 0.02 -0.05 0.02 0.00 -0.00 0.00 0.00 58.65 58.65 2k0s h GLN 36 Cb 0.66 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.48 27.91 2k0s h GLN 36 CO -0.23 0.53 0.50 1.03 -0.00 0.00 0.00 178.83 180.67 2k0s h SER 37 N 0.83 0.85 0.31 0.06 0.87 -0.33 0.50 113.55 116.64 2k0s h SER 37 Ca 0.34 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 2k0s h SER 37 Cb 0.25 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2k0s h SER 37 CO -0.12 0.59 -0.15 0.15 -0.53 0.00 0.00 176.83 176.78 2k0s h PHE 38 N 1.00 -0.38 -0.60 2.24 3.04 -0.34 -1.84 116.94 120.06 2k0s h PHE 38 Ca 0.30 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 2k0s h PHE 38 Cb -0.04 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 2k0s h PHE 38 CO -0.03 -0.06 0.32 0.52 -2.02 0.00 0.00 178.31 177.04 2k0s h MET 39 N -0.72 0.82 -0.06 1.11 2.86 -1.27 -1.73 114.93 115.94 2k0s h MET 39 Ca -0.04 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2k0s h MET 39 Cb 0.49 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2k0s h MET 39 CO 0.07 0.62 0.03 1.49 1.06 0.00 0.00 176.91 180.18 2k0s h GLU 40 N 0.83 0.09 0.41 1.72 4.57 0.06 0.26 114.58 122.52 2k0s h GLU 40 Ca 0.21 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2k0s h GLU 40 Cb 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2k0s h GLU 40 CO -0.03 0.17 -0.20 0.87 -1.18 0.00 0.00 179.01 178.64 2k0s h LYS 41 N -0.01 -0.53 -0.19 1.92 1.57 -1.05 0.26 116.57 118.54 2k0s h LYS 41 Ca 0.02 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2k0s h LYS 41 Cb 0.11 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2k0s h LYS 41 CO -0.00 -0.32 0.05 1.88 -0.57 0.00 0.00 179.45 180.49 2k0s h TYR 42 N -0.61 0.09 0.75 -1.35 -1.99 -1.30 0.17 116.97 112.73 2k0s h TYR 42 Ca -0.06 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 2k0s h TYR 42 Cb 0.45 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.18 2k0s h TYR 42 CO -0.04 0.04 -0.36 -0.92 -0.00 0.00 0.00 178.16 176.89 2k0s h TYR 43 N 0.14 -0.93 -0.05 4.88 3.20 -0.41 -2.17 116.97 121.63 2k0s h TYR 43 Ca 0.08 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2k0s h TYR 43 Cb 0.06 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2k0s h TYR 43 CO -0.12 -0.58 0.08 1.25 -1.64 0.00 0.00 178.16 177.15 2k0s h LEU 44 N -1.02 0.00 -2.25 2.82 6.46 -0.39 0.50 115.31 121.43 2k0s h LEU 44 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2k0s h LEU 44 Cb 0.77 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2k0s h LEU 44 CO 0.17 0.00 0.00 1.21 -0.62 0.00 0.00 178.44 179.20 2k0s n GLU 45 N -3.55 2.85 0.00 1.25 2.13 0.58 -4.71 120.64 119.18 2k0s n GLU 45 Ca -0.02 -1.95 0.00 0.00 0.66 0.00 0.00 57.16 55.86 2k0s n GLU 45 Cb 0.17 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2k0s n GLU 45 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2k0s n PHE 46 N 0.71 -0.18 -1.28 4.31 3.72 0.86 -4.99 117.46 120.61 2k0s n PHE 46 Ca 0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.39 2k0s n PHE 46 Cb 0.64 0.06 0.14 0.00 -0.94 0.00 0.00 39.48 39.38 2k0s n PHE 46 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2k0s n ASP 47 N -1.18 -0.67 -0.71 4.37 9.92 0.14 -5.06 116.55 123.36 2k0s n ASP 47 Ca 0.00 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.12 2k0s n ASP 47 Cb 0.00 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 2k0s n ASP 47 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2k0s n ASP 48 N -3.81 0.00 -3.75 -2.24 2.03 -1.26 -4.34 116.55 103.18 2k0s n ASP 48 Ca 0.10 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.70 2k0s n ASP 48 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.88 -0.19 -3.32 1.67 2.88 -1.26 -4.69 113.62 106.83 2k0s n SER 49 Ca 0.00 -0.02 -0.31 0.00 -1.33 0.00 0.00 58.87 57.22 2k0s n SER 49 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2k0s n SER 49 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2k0s n GLU 50 N -0.21 2.43 -3.15 -1.46 -0.00 -1.26 -4.49 120.64 112.50 2k0s n GLU 50 Ca 0.00 -1.78 -0.21 0.00 -0.00 0.00 0.00 57.16 55.17 2k0s n GLU 50 Cb 0.00 -2.67 -0.04 0.00 -0.00 0.00 0.00 31.44 28.73 2k0s n GLU 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k0s n GLU 51 N 4.64 1.44 -1.27 3.44 2.13 -1.26 -4.78 120.64 124.97 2k0s n GLU 51 Ca 0.54 -3.70 -0.02 0.00 0.66 0.00 0.00 57.16 54.64 2k0s n GLU 51 Cb 0.21 -1.77 0.01 0.00 0.27 0.00 0.00 31.44 30.17 2k0s n GLU 51 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k0s n ASN 52 N 0.35 -0.44 -3.51 4.31 5.15 -1.26 -4.99 115.26 114.87 2k0s n ASN 52 Ca 0.26 -1.06 -0.11 0.00 -0.60 0.00 0.00 54.58 53.06 2k0s n ASN 52 Cb 0.58 0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.97 2k0s n ASN 52 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2k0s s LYS 53 N 0.02 0.88 -0.10 1.20 1.02 -1.26 -4.91 119.74 116.58 2k0s s LYS 53 Ca 0.02 -0.09 -0.04 0.00 0.02 0.00 0.00 55.97 55.88 2k0s s LYS 53 Cb 0.08 0.41 -0.01 0.00 -0.52 0.00 0.00 37.83 37.78 2k0s s LYS 53 CO -0.02 -0.34 -0.08 -0.07 -0.92 0.00 0.00 175.35 173.93 2k0s h LEU 54 N 2.36 0.00 0.00 3.17 4.07 -1.99 -3.31 115.31 119.61 2k0s h LEU 54 Ca -0.24 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.45 2k0s h LEU 54 Cb 1.21 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.90 2k0s h LEU 54 CO 0.34 0.53 -1.97 -1.54 -1.08 0.00 0.00 178.44 174.71 2k0s n SER 55 N -4.26 0.40 -0.04 -0.43 3.41 -1.26 -4.27 113.62 107.18 2k0s n SER 55 Ca -0.03 0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 2k0s n SER 55 Cb 0.11 0.66 0.02 0.00 -0.26 0.00 0.00 64.21 64.74 2k0s n SER 55 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2k0s h TYR 56 N 0.00 0.88 0.08 7.33 5.03 -1.97 -1.51 116.97 126.81 2k0s h TYR 56 Ca -0.35 -0.30 0.02 0.00 2.58 0.00 0.00 58.73 60.69 2k0s h TYR 56 Cb 1.92 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 39.98 2k0s h TYR 56 CO 0.00 1.07 -0.44 1.15 -1.32 0.00 0.00 178.16 178.62 2k0s h THR 57 N 0.55 0.13 0.12 1.81 2.02 -1.74 0.36 112.91 116.16 2k0s h THR 57 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2k0s h THR 57 Cb 1.08 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2k0s h THR 57 CO 0.11 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 177.49 2k0s h PRO 58 N -0.65 -0.15 -0.97 6.66 0.13 -1.75 -1.65 132.00 133.61 2k0s h PRO 58 Ca 0.02 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.33 2k0s h PRO 58 Cb 0.69 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.76 2k0s h PRO 58 CO -0.27 0.28 0.61 0.82 -0.23 0.00 0.00 178.00 179.20 2k0s h ILE 59 N -0.65 0.78 0.07 -3.56 1.08 -1.24 0.26 117.51 114.26 2k0s h ILE 59 Ca -0.02 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2k0s h ILE 59 Cb 0.50 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2k0s h ILE 59 CO 0.03 0.14 -0.03 0.15 -0.69 0.00 0.00 178.15 177.74 2k0s h PHE 60 N 0.76 -0.09 0.12 1.37 3.57 -0.28 -1.95 116.94 120.44 2k0s h PHE 60 Ca 0.52 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.03 2k0s h PHE 60 Cb 0.80 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2k0s h PHE 60 CO -0.00 0.44 -0.19 -0.97 -2.23 0.00 0.00 178.31 175.36 2k0s h ASN 61 N -0.69 -0.54 0.43 0.41 -1.24 -0.68 0.14 115.58 113.41 2k0s h ASN 61 Ca -0.01 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2k0s h ASN 61 Cb 0.57 0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.80 2k0s h ASN 61 CO 0.02 -0.28 -0.39 -0.33 -1.29 0.00 0.00 177.43 175.16 2k0s h GLU 62 N -0.38 -0.80 0.05 6.67 5.08 -0.60 0.27 114.58 124.88 2k0s h GLU 62 Ca 0.02 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2k0s h GLU 62 Cb 0.39 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k0s h GLU 62 CO -0.10 -0.53 -0.25 1.88 -1.00 0.00 0.00 179.01 179.01 2k0s h TYR 63 N -0.83 -0.72 -0.89 4.33 -1.99 -1.25 0.32 116.97 115.94 2k0s h TYR 63 Ca -0.04 0.02 0.18 0.00 2.00 0.00 0.00 58.73 60.89 2k0s h TYR 63 Cb 0.72 0.31 -0.11 0.00 2.00 0.00 0.00 36.73 39.65 2k0s h TYR 63 CO -0.19 -0.28 0.45 0.82 -0.00 0.00 0.00 178.16 178.97 2k0s h ILE 64 N -0.35 0.62 -0.44 -2.88 1.08 -0.96 -0.12 117.51 114.46 2k0s h ILE 64 Ca -0.00 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 2k0s h ILE 64 Cb 0.35 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 2k0s h ILE 64 CO -0.14 0.10 0.25 -0.08 -0.69 0.00 0.00 178.15 177.60 2k0s h GLU 65 N 0.56 0.60 0.60 2.37 4.57 0.25 0.31 114.58 123.85 2k0s h GLU 65 Ca 0.52 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.62 2k0s h GLU 65 Cb 0.87 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2k0s h GLU 65 CO -0.43 0.46 -0.40 0.82 -1.18 0.00 0.00 179.01 178.28 2k0s h ILE 66 N 0.58 0.19 0.00 2.32 2.04 0.14 -0.59 117.51 122.19 2k0s h ILE 66 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 2k0s h ILE 66 Cb 0.03 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2k0s h ILE 66 CO -0.03 0.00 -0.11 0.25 0.00 0.00 0.00 178.15 178.26 2k0s h LEU 67 N -0.96 0.00 0.38 1.44 6.46 -1.29 -1.71 115.31 119.64 2k0s h LEU 67 Ca -0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2k0s h LEU 67 Cb 0.79 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 2k0s h LEU 67 CO 0.05 0.11 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.72 2k0s h GLU 68 N 0.00 -0.50 -0.07 1.25 4.22 0.23 -0.65 114.58 119.07 2k0s h GLU 68 Ca -0.00 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 2k0s h GLU 68 Cb 0.35 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0s h GLU 68 CO 0.01 -0.18 0.02 -0.22 -2.18 0.00 0.00 179.01 176.47 2k0s h LYS 69 N -0.92 0.10 0.04 1.92 3.11 -1.02 0.42 116.57 120.23 2k0s h LYS 69 Ca -0.05 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.79 2k0s h LYS 69 Cb 0.54 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.73 2k0s h LYS 69 CO 0.09 0.26 -0.19 1.25 -2.81 0.00 0.00 179.45 178.05 2k0s h HIS 70 N -0.07 -0.50 -0.10 1.91 2.76 -1.41 -1.78 115.15 115.95 2k0s h HIS 70 Ca 0.02 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 2k0s h HIS 70 Cb 0.20 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2k0s h HIS 70 CO -0.01 -0.27 -0.33 1.25 -1.30 0.00 0.00 177.93 177.27 2k0s h LEU 71 N -0.33 0.20 0.13 0.26 6.46 -1.08 -1.02 115.31 119.93 2k0s h LEU 71 Ca 0.04 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2k0s h LEU 71 Cb 0.38 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2k0s h LEU 71 CO -0.15 0.53 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.94 2k0s h GLU 72 N 0.18 -0.35 -0.01 1.25 4.81 0.53 0.36 114.58 121.34 2k0s h GLU 72 Ca 0.02 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2k0s h GLU 72 Cb 0.67 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2k0s h GLU 72 CO 0.05 -0.23 -0.73 0.37 -0.73 0.00 0.00 179.01 177.73 2k0s h GLN 73 N -0.36 0.09 -0.39 1.92 4.15 -1.29 -0.99 115.11 118.24 2k0s h GLN 73 Ca 0.02 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 2k0s h GLN 73 Cb 0.36 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2k0s h GLN 73 CO -0.08 0.78 -0.04 1.96 -1.93 0.00 0.00 178.83 179.53 2k0s h GLN 74 N 0.06 0.72 0.00 1.69 7.50 -0.84 -1.43 115.11 122.81 2k0s h GLN 74 Ca -0.02 -0.25 -0.00 0.00 0.50 0.00 0.00 58.65 58.89 2k0s h GLN 74 Cb 1.30 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.77 2k0s h GLN 74 CO 0.10 0.83 -0.00 1.25 -1.50 0.00 0.00 178.83 179.51 2k0s h LEU 75 N 0.54 -0.01 -1.56 1.46 6.46 -0.31 -2.26 115.31 119.64 2k0s h LEU 75 Ca 0.11 -0.82 0.15 0.00 -0.12 0.00 0.00 57.88 57.20 2k0s h LEU 75 Cb 0.53 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 2k0s h LEU 75 CO 0.03 0.83 0.51 1.62 -0.62 0.00 0.00 178.44 180.81 2k0s h VAL 76 N -0.85 0.79 -0.13 1.05 3.04 -1.24 0.45 116.25 119.36 2k0s h VAL 76 Ca -0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2k0s h VAL 76 Cb 0.82 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2k0s h VAL 76 CO 0.00 0.08 0.00 1.21 -1.01 0.00 0.00 177.57 177.85 2k0s n GLU 77 N -4.48 1.96 -0.08 4.17 0.00 -0.54 -4.22 120.64 117.45 2k0s n GLU 77 Ca 0.15 -1.42 -0.15 0.00 0.00 0.00 0.00 57.16 55.74 2k0s n GLU 77 Cb 0.53 -1.46 -0.12 0.00 0.00 0.00 0.00 31.44 30.40 2k0s n GLU 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2k0s h ARG 78 N 3.14 0.00 -6.86 5.31 9.65 0.54 -3.48 114.38 122.67 2k0s h ARG 78 Ca 0.00 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.41 2k0s h ARG 78 Cb 0.68 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2k0s h ARG 78 CO 0.00 0.92 -0.87 1.51 2.80 0.00 0.00 179.97 184.34 2k0s n ILE 79 N -4.59 -2.31 -0.02 1.20 3.06 -1.14 -4.86 119.36 110.70 2k0s n ILE 79 Ca -0.14 -0.32 -0.13 0.00 -2.50 0.00 0.00 62.75 59.66 2k0s n ILE 79 Cb 0.49 -2.00 -0.09 0.00 0.54 0.00 0.00 39.64 38.57 2k0s n ILE 79 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2k0s h PRO 80 N -1.12 0.09 0.00 9.51 0.13 -1.86 -3.49 132.00 135.25 2k0s h PRO 80 Ca -0.57 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2k0s h PRO 80 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k0s h PRO 80 CO 0.39 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 2k0s n GLY 81 N 0.21 2.25 3.75 1.56 0.00 -1.26 -3.54 105.19 108.15 2k0s n GLY 81 Ca -0.08 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 2k0s n GLY 81 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k0s s PHE 82 N 0.00 2.40 -0.11 1.61 5.36 -1.26 0.20 117.98 126.18 2k0s s PHE 82 Ca 0.00 1.58 -0.06 0.00 -0.96 0.00 0.00 56.93 57.49 2k0s s PHE 82 Cb 0.00 -3.25 -0.06 0.00 -0.34 0.00 0.00 43.02 39.37 2k0s s PHE 82 CO 0.00 -2.02 0.96 0.09 -1.46 0.00 0.00 175.22 172.79 2k0s n ASN 83 N -2.73 -0.96 -3.28 6.13 4.13 -1.26 -4.48 115.26 112.81 2k0s n ASN 83 Ca 0.11 -1.25 -0.21 0.00 1.68 0.00 0.00 54.58 54.91 2k0s n ASN 83 Cb 0.52 -0.45 -0.08 0.00 -1.54 0.00 0.00 39.78 38.22 2k0s n ASN 83 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2k0s s MET 84 N 4.73 0.84 0.00 3.52 1.75 -1.26 -3.26 119.30 125.62 2k0s s MET 84 Ca 0.15 -1.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.01 2k0s s MET 84 Cb 0.01 -1.01 0.00 0.00 2.84 0.00 0.00 34.83 36.67 2k0s s MET 84 CO 0.05 -1.32 0.00 -0.40 -0.65 0.00 0.00 175.02 172.70 2k0s n ASP 85 N 3.28 0.00 0.14 1.11 5.68 -1.26 -4.72 116.55 120.77 2k0s n ASP 85 Ca 0.22 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.53 2k0s n ASP 85 Cb 0.48 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.54 2k0s n ASP 85 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k0s h ALA 86 N 0.00 0.71 -0.97 2.12 0.00 -1.82 -3.26 119.26 116.04 2k0s h ALA 86 Ca 0.00 -0.50 0.14 0.00 0.00 0.00 0.00 54.91 54.55 2k0s h ALA 86 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2k0s h ALA 86 CO 0.00 0.69 0.59 0.74 0.00 0.00 0.00 179.25 181.27 2k0s h PHE 87 N 0.00 1.05 -0.23 0.00 0.04 -1.93 0.83 116.94 116.71 2k0s h PHE 87 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2k0s h PHE 87 Cb 1.31 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2k0s h PHE 87 CO 0.00 0.34 0.00 0.00 -0.60 0.00 0.00 178.31 178.06 2k0s h THR 88 N 0.86 1.14 0.76 -1.55 1.03 -1.92 0.26 112.91 113.50 2k0s h THR 88 Ca 0.51 -0.54 -0.04 0.00 -0.01 0.00 0.00 66.41 66.33 2k0s h THR 88 Cb 0.62 0.97 0.01 0.00 -1.07 0.00 0.00 68.15 68.68 2k0s h THR 88 CO -0.31 0.18 -0.37 -0.74 -0.01 0.00 0.00 175.52 174.27 2k0s h HIS 89 N 0.32 -0.95 0.00 0.00 6.17 -1.00 -1.88 115.15 117.82 2k0s h HIS 89 Ca 0.08 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2k0s h HIS 89 Cb 0.22 0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.46 2k0s h HIS 89 CO 0.00 -0.59 0.00 -1.13 0.71 0.00 0.00 177.93 176.92 2k0s n SER 90 N -5.43 0.54 0.06 3.26 3.41 -1.04 -2.89 113.62 111.52 2k0s n SER 90 Ca -0.13 0.62 -0.03 0.00 -0.26 0.00 0.00 58.87 59.07 2k0s n SER 90 Cb 0.40 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 2k0s n SER 90 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k0s h LEU 91 N 0.00 -0.17 0.00 1.04 6.46 -0.34 -3.45 115.31 118.85 2k0s h LEU 91 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2k0s h LEU 91 Cb 0.40 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2k0s h LEU 91 CO 0.00 0.12 0.00 0.29 -0.62 0.00 0.00 178.44 178.23 2k0s n LYS 92 N -3.88 0.00 0.00 1.25 5.02 -0.72 -5.07 118.16 114.76 2k0s n LYS 92 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2k0s n LYS 92 Cb 0.08 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 2k0s n LYS 92 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k0s n GLN 93 N -0.34 0.00 -3.32 1.97 6.02 -1.14 -5.05 117.38 115.51 2k0s n GLN 93 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 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 -3.38 -1.01 0.00 0.00 177.06 172.67 2k0s s HIS 94 N -0.56 -1.42 -2.23 1.08 -3.43 -1.22 -4.47 115.29 103.03 2k0s s HIS 94 Ca 0.00 1.83 0.22 0.00 -0.80 0.00 0.00 55.06 56.30 2k0s s HIS 94 Cb 0.00 0.62 0.90 0.00 -1.43 0.00 0.00 32.58 32.67 2k0s s HIS 94 CO 0.00 -0.75 1.63 0.36 -2.00 0.00 0.00 174.74 173.97 2k0s n LYS 95 N 5.42 1.54 -0.34 -0.38 -0.00 -1.26 -4.18 118.16 118.96 2k0s n LYS 95 Ca -0.05 -0.81 0.22 0.00 -0.00 0.00 0.00 58.31 57.67 2k0s n LYS 95 Cb 0.51 -1.39 0.48 0.00 -0.00 0.00 0.00 35.03 34.63 2k0s n LYS 95 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0s h ASP 96 N 1.69 0.51 -1.13 -5.58 2.03 -1.97 0.34 116.42 112.30 2k0s h ASP 96 Ca 0.00 0.11 0.32 0.00 -0.73 0.00 0.00 57.03 56.73 2k0s h ASP 96 Cb 0.37 0.04 -0.07 0.00 -0.83 0.00 0.00 39.33 38.84 2k0s h ASP 96 CO 0.00 0.05 0.79 -0.33 -1.03 0.00 0.00 179.24 178.72 2k0s h GLU 97 N 0.42 0.13 -1.57 4.15 5.08 -2.04 -3.31 114.58 117.43 2k0s h GLU 97 Ca 0.64 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.78 2k0s h GLU 97 Cb 1.52 -0.03 -0.26 0.00 0.50 0.00 0.00 28.75 30.48 2k0s h GLU 97 CO -0.39 0.08 -0.57 0.14 -1.00 0.00 0.00 179.01 177.28 2k0s s VAL 98 N -5.14 -0.63 0.00 3.13 -7.23 0.12 -5.03 120.40 105.63 2k0s s VAL 98 Ca -0.06 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2k0s s VAL 98 Cb 0.24 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.60 2k0s s VAL 98 CO 0.80 -0.31 0.00 -0.24 -0.31 0.00 0.00 175.10 175.04 2k0s n SER 99 N 4.64 1.70 -0.58 4.85 2.88 -1.20 -4.89 113.62 121.02 2k0s n SER 99 Ca 0.08 -0.69 0.47 0.00 -1.33 0.00 0.00 58.87 57.40 2k0s n SER 99 Cb 0.50 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.75 2k0s n SER 99 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2k0s h GLY 100 N 0.00 0.00 -0.09 0.46 0.00 -1.79 -0.89 103.07 100.77 2k0s h GLY 100 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2k0s h GLY 100 CO 0.00 0.00 -0.21 -0.55 0.00 0.00 0.00 176.54 175.78 2k0s h ASP 101 N 0.00 -0.69 0.20 0.19 3.32 -1.92 0.58 116.42 118.10 2k0s h ASP 101 Ca 0.82 0.08 -0.31 0.00 0.02 0.00 0.00 57.03 57.65 2k0s h ASP 101 Cb 3.32 0.27 0.03 0.00 0.22 0.00 0.00 39.33 43.18 2k0s h ASP 101 CO -0.01 -0.18 -1.29 -0.29 -1.72 0.00 0.00 179.24 175.75 2k0s h ILE 102 N -0.20 1.30 0.44 0.35 2.10 -1.62 -3.03 117.51 116.85 2k0s h ILE 102 Ca 0.02 -2.55 -0.01 0.00 1.08 0.00 0.00 64.86 63.40 2k0s h ILE 102 Cb 0.25 2.78 -0.03 0.00 -1.09 0.00 0.00 36.82 38.74 2k0s h ILE 102 CO -0.19 0.77 -0.48 -0.07 -1.08 0.00 0.00 178.15 177.10 2k0s h LEU 103 N 0.24 -1.32 -1.80 2.19 -0.00 -1.12 -1.86 115.31 111.64 2k0s h LEU 103 Ca -0.20 0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2k0s h LEU 103 Cb 1.97 0.44 -0.02 0.00 -0.00 0.00 0.00 40.66 43.05 2k0s h LEU 103 CO 0.24 -0.63 0.24 -2.24 -0.00 0.00 0.00 178.44 176.05 2k0s h ASP 104 N -0.93 0.22 -0.04 -0.43 3.04 0.79 0.91 116.42 119.98 2k0s h ASP 104 Ca -0.05 -0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.77 2k0s h ASP 104 Cb 0.83 -0.05 -0.06 0.00 -1.04 0.00 0.00 39.33 39.01 2k0s h ASP 104 CO -0.09 0.15 -0.42 -0.03 -2.04 0.00 0.00 179.24 176.81 2k0s h MET 105 N 0.25 -0.54 0.06 4.15 4.05 -1.20 0.66 114.93 122.36 2k0s h MET 105 Ca 0.15 0.04 -0.31 0.00 -0.28 0.00 0.00 59.70 59.30 2k0s h MET 105 Cb 0.29 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2k0s h MET 105 CO -0.03 -0.36 -1.67 1.28 0.23 0.00 0.00 176.91 176.36 2k0s n LEU 106 N -5.45 2.25 0.00 3.39 4.77 -1.04 -3.96 117.00 116.97 2k0s n LEU 106 Ca -0.05 0.31 0.07 0.00 -0.03 0.00 0.00 56.01 56.30 2k0s n LEU 106 Cb 0.37 -1.04 0.38 0.00 -2.33 0.00 0.00 43.42 40.80 2k0s n LEU 106 CO 0.15 0.57 0.62 -0.11 -1.33 0.00 0.00 177.39 177.29 2k0s n LEU 107 N -3.96 0.00 -0.31 2.23 -0.00 0.31 -3.61 117.00 111.66 2k0s n LEU 107 Ca -0.33 0.07 0.34 0.00 -0.00 0.00 0.00 56.01 56.09 2k0s n LEU 107 Cb 0.87 -0.07 0.57 0.00 -0.00 0.00 0.00 43.42 44.79 2k0s n LEU 107 CO 0.30 -0.04 1.31 0.00 -0.00 0.00 0.00 177.39 178.96 2k0s h THR 108 N 0.00 0.05 -0.57 1.96 1.03 0.23 0.56 112.91 116.17 2k0s h THR 108 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.57 2k0s h THR 108 Cb 0.03 0.08 -0.02 0.00 -1.07 0.00 0.00 68.15 67.16 2k0s h THR 108 CO 0.00 0.00 0.62 0.15 -0.01 0.00 0.00 175.52 176.28 2k0s h PHE 109 N 0.00 0.00 -0.15 0.00 3.57 -1.83 -3.18 116.94 115.36 2k0s h PHE 109 Ca 0.58 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.83 2k0s h PHE 109 Cb 2.95 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 41.53 2k0s h PHE 109 CO 0.00 0.00 -0.53 -2.37 -2.23 0.00 0.00 178.31 173.18 2k0s n THR 110 N -3.64 -0.04 -0.52 4.41 5.66 0.20 -5.15 114.28 115.19 2k0s n THR 110 Ca 0.11 -1.70 -0.17 0.00 -3.05 0.00 0.00 64.05 59.25 2k0s n THR 110 Cb 0.83 1.27 0.15 0.00 -1.55 0.00 0.00 70.33 71.03 2k0s n THR 110 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2k0s n ASP 111 N 1.30 -3.03 0.09 1.09 5.75 -1.20 -4.49 116.55 116.07 2k0s n ASP 111 Ca 0.09 -0.40 0.05 0.00 -0.01 0.00 0.00 54.79 54.53 2k0s n ASP 111 Cb 0.64 -0.76 0.28 0.00 -1.03 0.00 0.00 41.12 40.25 2k0s n ASP 111 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2k0s n PHE 112 N -4.39 0.35 -0.35 2.11 -1.74 -1.24 -3.10 117.46 109.09 2k0s n PHE 112 Ca 0.06 0.18 -0.06 0.00 -0.56 0.00 0.00 57.45 57.07 2k0s n PHE 112 Cb 0.33 -0.70 -0.04 0.00 1.52 0.00 0.00 39.48 40.59 2k0s n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 2k0s n MET 113 N -1.84 -0.31 -0.07 3.97 2.81 -1.26 0.23 117.12 120.65 2k0s n MET 113 Ca -0.01 1.32 -0.10 0.00 -1.81 0.00 0.00 57.70 57.10 2k0s n MET 113 Cb 0.13 -1.94 -0.09 0.00 -0.71 0.00 0.00 33.22 30.60 2k0s n MET 113 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0s h ALA 114 N 0.73 0.01 0.26 3.04 0.00 -1.84 -2.64 119.26 118.81 2k0s h ALA 114 Ca 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k0s h ALA 114 Cb 0.42 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2k0s h ALA 114 CO -0.83 0.02 -0.44 0.74 0.00 0.00 0.00 179.25 178.73 2k0s h PHE 115 N -1.00 -1.26 -0.96 0.00 -1.00 -1.56 -2.24 116.94 108.92 2k0s h PHE 115 Ca -0.01 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.86 2k0s h PHE 115 Cb 0.73 0.52 -0.06 0.00 3.61 0.00 0.00 35.95 40.74 2k0s h PHE 115 CO 0.20 -0.54 0.62 -0.22 -1.61 0.00 0.00 178.31 176.75 2k0s h LYS 116 N -0.75 1.07 -0.46 1.51 3.11 0.28 0.47 116.57 121.80 2k0s h LYS 116 Ca -0.03 -0.06 0.05 0.00 -2.81 0.00 0.00 60.65 57.80 2k0s h LYS 116 Cb 0.70 -0.24 -0.08 0.00 -1.00 0.00 0.00 32.23 31.61 2k0s h LYS 116 CO -0.16 0.71 -0.52 1.49 -2.81 0.00 0.00 179.45 178.16 2k0s h GLU 117 N 1.10 -0.29 0.00 1.90 4.81 -1.02 1.24 114.58 122.31 2k0s h GLU 117 Ca 0.42 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 2k0s h GLU 117 Cb 0.20 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2k0s h GLU 117 CO -0.16 -0.20 -0.08 0.52 -0.73 0.00 0.00 179.01 178.36 2k0s h MET 118 N -0.31 0.00 0.37 1.92 2.86 -1.25 -2.75 114.93 115.77 2k0s h MET 118 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2k0s h MET 118 Cb 0.52 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2k0s h MET 118 CO -0.60 0.98 -0.46 0.35 1.06 0.00 0.00 176.91 178.24 2k0s h PHE 119 N -1.00 -1.28 -0.56 -0.22 3.57 0.03 -1.33 116.94 116.15 2k0s h PHE 119 Ca -0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2k0s h PHE 119 Cb 1.00 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 40.20 2k0s h PHE 119 CO 0.26 -0.58 0.27 1.15 -2.23 0.00 0.00 178.31 177.18 2k0s h THR 120 N -0.84 0.91 -0.87 4.41 2.02 0.14 0.25 112.91 118.93 2k0s h THR 120 Ca -0.04 -0.17 0.17 0.00 0.77 0.00 0.00 66.41 67.14 2k0s h THR 120 Cb 0.76 0.36 -0.10 0.00 -1.74 0.00 0.00 68.15 67.42 2k0s h THR 120 CO -0.11 0.09 0.43 -0.78 0.37 0.00 0.00 175.52 175.53 2k0s h ASP 121 N 0.50 0.47 0.03 4.18 3.58 -1.19 0.74 116.42 124.74 2k0s h ASP 121 Ca 0.26 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 2k0s h ASP 121 Cb 0.21 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k0s h ASP 121 CO -0.20 0.15 -0.02 0.22 -2.88 0.00 0.00 179.24 176.51 2k0s h TYR 122 N 0.55 -0.04 -0.54 0.28 5.03 -0.36 -2.18 116.97 119.71 2k0s h TYR 122 Ca 0.50 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.91 2k0s h TYR 122 Cb 0.80 0.01 -0.09 0.00 1.55 0.00 0.00 36.73 39.00 2k0s h TYR 122 CO -0.10 0.24 -0.00 -0.09 -1.32 0.00 0.00 178.16 176.89 2k0s h ARG 123 N -1.00 0.11 0.36 1.82 9.65 -0.32 0.43 114.38 125.44 2k0s h ARG 123 Ca -0.00 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2k0s h ARG 123 Cb 0.31 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2k0s h ARG 123 CO 0.01 0.07 -0.17 0.00 2.80 0.00 0.00 179.97 182.68 2k0s h ALA 124 N 1.48 -0.83 -0.49 2.80 0.00 0.34 -2.84 119.26 119.72 2k0s h ALA 124 Ca 0.27 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2k0s h ALA 124 Cb 0.42 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k0s h ALA 124 CO -0.46 -0.80 0.62 1.49 0.00 0.00 0.00 179.25 180.11 2k0s h GLU 125 N -0.64 0.00 -0.02 0.00 4.81 -1.26 0.10 114.58 117.57 2k0s h GLU 125 Ca -0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k0s h GLU 125 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k0s h GLU 125 CO 0.08 0.00 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.14 2k0s h LYS 126 N 0.00 0.04 0.00 1.92 3.64 0.01 -2.92 116.57 119.26 2k0s h LYS 126 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2k0s h LYS 126 Cb 1.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2k0s h LYS 126 CO -0.00 0.41 0.00 0.39 -2.27 0.00 0.00 179.45 177.98 2k0s n GLU 127 N -4.87 0.20 0.00 1.90 1.02 0.25 -4.85 120.64 114.28 2k0s n GLU 127 Ca -0.08 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2k0s n GLU 127 Cb 0.21 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 2k0s n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k0s n GLY 128 N 0.46 0.99 0.33 0.62 0.00 -0.66 -5.00 105.19 101.94 2k0s n GLY 128 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.24 0.00 1.61 0.00 -0.54 -4.94 116.66 112.56 2k0s n ARG 129 Ca 0.00 1.31 0.00 0.00 -0.00 0.00 0.00 57.85 59.16 2k0s n ARG 129 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 30.52 2k0s n ARG 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04