#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg2 s ALA 13 N 0.00 3.85 0.33 0.00 0.00 -1.26 -4.96 121.76 119.73 1sg2 s ALA 13 Ca 0.00 1.47 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 1sg2 s ALA 13 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 1sg2 s ALA 13 CO 0.00 -0.85 1.21 -0.51 0.00 0.00 0.00 175.76 175.61 1sg2 s ASP 14 N 1.14 6.87 -0.19 0.00 -0.00 -1.26 -4.98 116.67 118.24 1sg2 s ASP 14 Ca 0.72 2.48 -0.14 0.00 -0.00 0.00 0.00 52.55 55.61 1sg2 s ASP 14 Cb -0.46 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 39.78 1sg2 s ASP 14 CO 0.32 -0.45 0.32 -0.75 -0.00 0.00 0.00 175.17 174.61 1sg2 s LYS 15 N -1.80 4.19 -0.04 8.23 2.20 -1.26 -4.99 119.74 126.26 1sg2 s LYS 15 Ca 0.49 0.09 0.05 0.00 -0.36 0.00 0.00 55.97 56.24 1sg2 s LYS 15 Cb -0.35 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1sg2 s LYS 15 CO 0.46 0.08 -0.19 0.42 -0.36 0.00 0.00 175.35 175.76 1sg2 s ILE 16 N 0.95 2.63 0.34 5.43 1.01 -1.26 -0.38 121.20 129.91 1sg2 s ILE 16 Ca 0.16 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1sg2 s ILE 16 Cb -0.14 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1sg2 s ILE 16 CO 0.06 0.58 0.16 0.00 0.00 0.00 0.00 174.94 175.74 1sg2 s ALA 17 N -0.61 2.27 0.05 9.38 0.00 0.10 -4.28 121.76 128.67 1sg2 s ALA 17 Ca 0.09 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.45 1sg2 s ALA 17 Cb -0.11 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1sg2 s ALA 17 CO 0.00 -0.46 -0.13 0.96 0.00 0.00 0.00 175.76 176.13 1sg2 s ILE 18 N -3.45 1.01 -0.00 0.00 -4.36 0.12 -0.26 121.20 114.26 1sg2 s ILE 18 Ca 0.33 -1.12 0.01 0.00 -0.26 0.00 0.00 60.65 59.61 1sg2 s ILE 18 Cb 0.04 -0.96 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 1sg2 s ILE 18 CO 0.18 -0.15 -0.05 0.54 0.24 0.00 0.00 174.94 175.70 1sg2 s VAL 19 N -1.08 0.38 -0.75 8.37 0.11 -0.48 -0.65 120.40 126.31 1sg2 s VAL 19 Ca -0.02 -0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 1sg2 s VAL 19 Cb -0.09 -0.33 0.13 0.00 -1.53 0.00 0.00 36.38 34.56 1sg2 s VAL 19 CO 0.02 0.11 0.89 0.21 -3.33 0.00 0.00 175.10 173.00 1sg2 s ASN 20 N -0.08 6.42 0.22 3.54 3.84 -1.26 -0.77 114.94 126.84 1sg2 s ASN 20 Ca 0.01 -1.76 -0.06 0.00 0.21 0.00 0.00 52.86 51.26 1sg2 s ASN 20 Cb -0.02 -2.34 0.19 0.00 -0.55 0.00 0.00 41.25 38.53 1sg2 s ASN 20 CO -0.00 -1.06 1.71 0.24 -2.79 0.00 0.00 177.10 175.19 1sg2 h MET 21 N 8.91 0.98 -0.30 0.43 2.86 -1.95 -1.67 114.93 124.20 1sg2 h MET 21 Ca -0.09 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.15 1sg2 h MET 21 Cb 1.06 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1sg2 h MET 21 CO 1.06 0.94 -0.35 0.78 1.06 0.00 0.00 176.91 180.40 1sg2 h GLY 22 N 1.01 0.72 1.11 8.32 0.00 -1.99 0.21 103.07 112.45 1sg2 h GLY 22 Ca 0.17 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 1sg2 h GLY 22 CO 0.02 0.62 -0.44 0.23 0.00 0.00 0.00 176.54 176.97 1sg2 h SER 23 N 0.55 0.95 -0.52 0.19 0.87 -1.96 -2.38 113.55 111.26 1sg2 h SER 23 Ca 0.06 -0.50 -0.09 0.00 -1.23 0.00 0.00 61.79 60.03 1sg2 h SER 23 Cb 0.86 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1sg2 h SER 23 CO 0.07 1.26 0.00 -0.07 -0.53 0.00 0.00 176.83 177.57 1sg2 h LEU 24 N 0.67 0.93 -0.20 2.23 3.38 -0.67 -1.32 115.31 120.34 1sg2 h LEU 24 Ca 0.04 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1sg2 h LEU 24 Cb 1.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1sg2 h LEU 24 CO 0.10 0.98 -0.08 0.15 0.09 0.00 0.00 178.44 179.69 1sg2 h PHE 25 N 0.88 0.46 0.00 1.13 3.04 -0.55 0.50 116.94 122.39 1sg2 h PHE 25 Ca 0.16 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1sg2 h PHE 25 Cb 0.51 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 1sg2 h PHE 25 CO 0.03 0.68 -0.01 -0.56 -2.02 0.00 0.00 178.31 176.43 1sg2 h GLN 26 N 0.10 0.00 0.10 1.11 3.07 -1.34 0.24 115.11 118.39 1sg2 h GLN 26 Ca 0.05 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.46 1sg2 h GLN 26 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.09 1sg2 h GLN 26 CO 0.02 0.01 -1.76 1.96 0.09 0.00 0.00 178.83 179.15 1sg2 h GLN 27 N 0.00 0.22 0.00 0.06 4.20 -0.53 -3.15 115.11 115.91 1sg2 h GLN 27 Ca -0.00 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 1sg2 h GLN 27 Cb 0.53 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1sg2 h GLN 27 CO 0.00 1.04 -0.08 0.28 -0.67 0.00 0.00 178.83 179.41 1sg2 h VAL 28 N 0.06 0.15 -0.02 -0.54 2.07 0.28 -2.43 116.25 115.81 1sg2 h VAL 28 Ca -0.33 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.10 1sg2 h VAL 28 Cb 2.03 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1sg2 h VAL 28 CO 0.12 0.08 -0.19 0.00 0.02 0.00 0.00 177.57 177.59 1sg2 h ALA 29 N 1.92 0.05 0.39 1.67 0.00 -0.66 -2.33 119.26 120.30 1sg2 h ALA 29 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1sg2 h ALA 29 Cb 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1sg2 h ALA 29 CO 0.01 0.04 -0.52 1.96 0.00 0.00 0.00 179.25 180.74 1sg2 h GLN 30 N -0.45 -0.90 -0.34 0.00 1.08 -1.57 -2.42 115.11 110.52 1sg2 h GLN 30 Ca -0.02 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.34 1sg2 h GLN 30 Cb 0.89 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1sg2 h GLN 30 CO 0.04 -0.60 0.25 0.87 -0.95 0.00 0.00 178.83 178.43 1sg2 h LYS 31 N -0.94 0.00 -0.00 1.46 1.79 -1.50 -1.05 116.57 116.32 1sg2 h LYS 31 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1sg2 h LYS 31 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1sg2 h LYS 31 CO -0.13 0.00 -0.35 2.41 -1.08 0.00 0.00 179.45 180.29 1sg2 n THR 32 N -4.39 0.00 -3.67 -0.16 -1.04 -0.88 -4.94 114.28 99.20 1sg2 n THR 32 Ca 0.05 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 61.78 1sg2 n THR 32 Cb 0.42 0.07 0.03 0.00 -1.82 0.00 0.00 70.33 69.03 1sg2 n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sg2 n GLY 33 N 1.48 -0.50 0.22 3.41 0.00 -0.40 -4.92 105.19 104.47 1sg2 n GLY 33 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1sg2 n GLY 33 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1sg2 h VAL 34 N -1.85 1.32 -0.08 1.61 -1.51 -1.79 -2.02 116.25 111.93 1sg2 h VAL 34 Ca -0.55 -1.77 -0.20 0.00 -1.23 0.00 0.00 66.70 62.96 1sg2 h VAL 34 Cb 1.36 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 32.25 1sg2 h VAL 34 CO 0.63 0.55 -0.77 -1.28 -1.23 0.00 0.00 177.57 175.47 1sg2 h SER 35 N 0.45 0.59 -0.32 4.19 0.87 -1.92 0.58 113.55 117.98 1sg2 h SER 35 Ca 0.01 -0.39 -0.17 0.00 -1.23 0.00 0.00 61.79 60.01 1sg2 h SER 35 Cb 1.07 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1sg2 h SER 35 CO 0.10 1.15 -0.46 -0.55 -0.53 0.00 0.00 176.83 176.54 1sg2 h ASN 36 N 0.33 0.97 -0.14 6.23 7.08 -1.94 -1.66 115.58 126.45 1sg2 h ASN 36 Ca -0.04 -0.50 0.04 0.00 -3.08 0.00 0.00 56.30 52.71 1sg2 h ASN 36 Cb 1.36 -0.28 -0.01 0.00 -2.08 0.00 0.00 38.32 37.32 1sg2 h ASN 36 CO 0.14 1.28 0.11 0.74 -2.08 0.00 0.00 177.43 177.62 1sg2 h THR 37 N 0.68 0.82 0.02 6.14 2.02 -0.87 0.22 112.91 121.95 1sg2 h THR 37 Ca 0.03 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.94 1sg2 h THR 37 Cb 1.07 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1sg2 h THR 37 CO 0.11 0.00 -1.53 -0.07 0.37 0.00 0.00 175.52 174.39 1sg2 h LEU 38 N 0.00 0.07 -0.30 2.58 3.38 -0.68 -2.06 115.31 118.30 1sg2 h LEU 38 Ca 0.07 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1sg2 h LEU 38 Cb 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1sg2 h LEU 38 CO -0.00 1.10 -0.09 -0.08 0.09 0.00 0.00 178.44 179.46 1sg2 h GLU 39 N 0.01 0.59 0.01 1.13 4.57 -0.64 -2.60 114.58 117.64 1sg2 h GLU 39 Ca -0.22 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1sg2 h GLU 39 Cb 1.96 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.52 1sg2 h GLU 39 CO 0.10 0.79 -0.00 -0.91 -1.18 0.00 0.00 179.01 177.81 1sg2 h ASN 40 N 0.35 -0.01 -0.96 1.04 2.35 -0.67 0.49 115.58 118.18 1sg2 h ASN 40 Ca 0.07 -0.20 0.27 0.00 -0.55 0.00 0.00 56.30 55.89 1sg2 h ASN 40 Cb 0.59 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 1sg2 h ASN 40 CO 0.03 0.19 0.67 -0.08 -1.65 0.00 0.00 177.43 176.60 1sg2 h GLU 41 N -0.21 0.09 0.00 0.81 4.81 -1.26 -3.22 114.58 115.60 1sg2 h GLU 41 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1sg2 h GLU 41 Cb 0.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1sg2 h GLU 41 CO 0.00 0.06 -0.47 1.19 -0.73 0.00 0.00 179.01 179.06 1sg2 n PHE 42 N -4.32 0.00 -0.28 0.92 3.01 -0.90 -4.77 117.46 111.12 1sg2 n PHE 42 Ca 0.20 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.64 1sg2 n PHE 42 Cb 0.97 -0.01 0.09 0.00 -0.01 0.00 0.00 39.48 40.52 1sg2 n PHE 42 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1sg2 h LYS 43 N 0.00 0.94 -0.78 -1.08 2.10 -0.04 -1.77 116.57 115.95 1sg2 h LYS 43 Ca 0.00 -0.06 0.12 0.00 -2.00 0.00 0.00 60.65 58.71 1sg2 h LYS 43 Cb 0.03 -0.21 -0.13 0.00 -0.90 0.00 0.00 32.23 31.02 1sg2 h LYS 43 CO 0.00 0.62 -0.39 0.78 -2.00 0.00 0.00 179.45 178.46 1sg2 h GLY 44 N 0.97 -0.16 1.47 0.07 0.00 -1.84 0.18 103.07 103.76 1sg2 h GLY 44 Ca 0.31 0.52 -0.15 0.00 0.00 0.00 0.00 47.33 48.01 1sg2 h GLY 44 CO -0.11 -0.18 -0.48 3.21 0.00 0.00 0.00 176.54 178.98 1sg2 h ARG 45 N -0.10 0.57 -0.36 4.80 3.08 -1.75 -1.45 114.38 119.18 1sg2 h ARG 45 Ca 0.26 -0.33 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1sg2 h ARG 45 Cb 0.56 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 1sg2 h ARG 45 CO -0.82 0.93 -0.00 0.00 -1.07 0.00 0.00 179.97 179.00 1sg2 h ALA 46 N 1.02 0.32 0.34 0.04 0.00 -0.98 0.17 119.26 120.17 1sg2 h ALA 46 Ca 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sg2 h ALA 46 Cb 1.01 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sg2 h ALA 46 CO 0.09 -0.40 -0.17 0.77 0.00 0.00 0.00 179.25 179.55 1sg2 h SER 47 N 0.10 -0.39 -0.26 0.00 0.02 -0.71 -0.47 113.55 111.84 1sg2 h SER 47 Ca 0.17 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1sg2 h SER 47 Cb 0.24 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 1sg2 h SER 47 CO -0.29 -0.28 -0.34 -0.08 -1.14 0.00 0.00 176.83 174.70 1sg2 h GLU 48 N -0.47 -0.33 0.00 3.45 4.81 -1.09 -0.56 114.58 120.39 1sg2 h GLU 48 Ca -0.05 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sg2 h GLU 48 Cb 0.36 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1sg2 h GLU 48 CO 0.08 -0.22 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.07 1sg2 h LEU 49 N -0.34 0.00 -0.06 1.64 3.38 -0.44 0.60 115.31 120.09 1sg2 h LEU 49 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1sg2 h LEU 49 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sg2 h LEU 49 CO -0.45 0.00 -0.09 -0.61 0.09 0.00 0.00 178.44 177.38 1sg2 h GLN 50 N 0.00 0.17 -0.40 1.13 5.75 0.26 -2.05 115.11 119.97 1sg2 h GLN 50 Ca -0.00 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1sg2 h GLN 50 Cb 0.00 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1sg2 h GLN 50 CO 0.00 0.65 0.05 0.00 -2.65 0.00 0.00 178.83 176.88 1sg2 h ARG 51 N -0.30 0.67 -1.01 1.69 3.08 -0.43 -0.37 114.38 117.71 1sg2 h ARG 51 Ca 0.01 -0.19 0.17 0.00 0.07 0.00 0.00 59.98 60.04 1sg2 h ARG 51 Cb 0.63 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.51 1sg2 h ARG 51 CO 0.02 0.73 0.62 1.98 -1.07 0.00 0.00 179.97 182.25 1sg2 h MET 52 N 0.51 0.82 -0.06 0.04 4.05 -0.97 -2.24 114.93 117.08 1sg2 h MET 52 Ca 0.12 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.34 1sg2 h MET 52 Cb 0.39 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1sg2 h MET 52 CO 0.01 0.54 -0.64 1.49 0.23 0.00 0.00 176.91 178.55 1sg2 h GLU 53 N 0.84 0.24 0.09 0.39 4.22 -0.32 -2.33 114.58 117.71 1sg2 h GLU 53 Ca 0.55 -0.18 -0.32 0.00 0.08 0.00 0.00 59.36 59.50 1sg2 h GLU 53 Cb 0.76 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1sg2 h GLU 53 CO -0.34 0.80 -1.71 1.79 -2.18 0.00 0.00 179.01 177.36 1sg2 h THR 54 N 0.18 0.92 -0.36 0.32 1.35 -1.15 -0.43 112.91 113.74 1sg2 h THR 54 Ca -0.01 -2.64 -0.02 0.00 -0.55 0.00 0.00 66.41 63.19 1sg2 h THR 54 Cb 1.16 2.60 -0.02 0.00 -1.73 0.00 0.00 68.15 70.15 1sg2 h THR 54 CO 0.10 0.76 0.15 -0.78 -0.25 0.00 0.00 175.52 175.50 1sg2 h ASP 55 N 0.05 0.45 -0.07 5.36 3.58 -1.54 -0.40 116.42 123.85 1sg2 h ASP 55 Ca -0.31 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 1sg2 h ASP 55 Cb 2.02 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.95 1sg2 h ASP 55 CO 0.12 0.40 -0.07 0.25 -2.88 0.00 0.00 179.24 177.06 1sg2 h LEU 56 N 0.50 0.18 -0.65 2.28 7.12 -1.33 -2.91 115.31 120.51 1sg2 h LEU 56 Ca 0.13 -0.48 0.13 0.00 0.13 0.00 0.00 57.88 57.78 1sg2 h LEU 56 Cb 0.09 -0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.07 1sg2 h LEU 56 CO -0.01 0.63 0.11 -0.61 -0.13 0.00 0.00 178.44 178.42 1sg2 h GLN 57 N -0.26 0.22 -0.97 1.25 5.75 -0.87 -2.21 115.11 118.02 1sg2 h GLN 57 Ca 0.01 -0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1sg2 h GLN 57 Cb 0.58 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.00 1sg2 h GLN 57 CO 0.02 0.15 0.61 0.00 -2.65 0.00 0.00 178.83 176.96 1sg2 h ALA 58 N 1.54 1.60 -0.32 3.38 0.00 -0.93 -0.39 119.26 124.14 1sg2 h ALA 58 Ca 0.35 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1sg2 h ALA 58 Cb 0.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sg2 h ALA 58 CO -0.47 0.17 -0.45 0.87 0.00 0.00 0.00 179.25 179.38 1sg2 h LYS 59 N 0.93 0.84 0.00 0.00 1.57 -1.28 -2.45 116.57 116.18 1sg2 h LYS 59 Ca 0.47 -0.47 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1sg2 h LYS 59 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1sg2 h LYS 59 CO -0.24 1.11 -0.37 0.52 -0.57 0.00 0.00 179.45 179.91 1sg2 h MET 60 N 0.67 0.00 -0.20 3.15 2.86 -0.74 -1.42 114.93 119.25 1sg2 h MET 60 Ca 0.04 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1sg2 h MET 60 Cb 1.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1sg2 h MET 60 CO 0.10 0.37 -0.21 -0.22 1.06 0.00 0.00 176.91 178.00 1sg2 h LYS 61 N 0.00 0.49 0.00 1.72 3.64 -1.04 -3.16 116.57 118.22 1sg2 h LYS 61 Ca -0.00 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1sg2 h LYS 61 Cb 0.89 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1sg2 h LYS 61 CO 0.05 0.85 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.70 1sg2 h LYS 62 N 0.16 0.00 -0.05 1.90 3.64 -0.93 -3.14 116.57 118.14 1sg2 h LYS 62 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1sg2 h LYS 62 Cb 0.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1sg2 h LYS 62 CO 0.05 0.16 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.30 1sg2 h LEU 63 N 0.00 0.11 -1.90 5.20 3.38 -1.37 -2.14 115.31 118.59 1sg2 h LEU 63 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1sg2 h LEU 63 Cb 1.11 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1sg2 h LEU 63 CO 0.02 0.49 0.37 -0.61 0.09 0.00 0.00 178.44 178.80 1sg2 h GLN 64 N -0.26 0.00 0.00 1.13 5.75 -1.55 -2.86 115.11 117.32 1sg2 h GLN 64 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1sg2 h GLN 64 Cb 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1sg2 h GLN 64 CO 0.01 0.00 -0.97 0.45 -2.65 0.00 0.00 178.83 175.67 1sg2 n SER 65 N -2.88 0.73 -4.89 -0.69 2.88 -0.82 -5.00 113.62 102.94 1sg2 n SER 65 Ca -0.02 0.17 -0.28 0.00 -1.33 0.00 0.00 58.87 57.41 1sg2 n SER 65 Cb 0.42 0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 64.35 1sg2 n SER 65 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1sg2 s MET 66 N -3.30 3.27 0.00 -1.46 -1.94 -1.08 -5.02 119.30 109.77 1sg2 s MET 66 Ca 0.01 -0.62 0.23 0.00 -1.71 0.00 0.00 55.69 53.61 1sg2 s MET 66 Cb 0.12 -2.90 1.38 0.00 2.01 0.00 0.00 34.83 35.44 1sg2 s MET 66 CO 0.78 0.54 1.76 1.63 -0.01 0.00 0.00 175.02 179.73 1sg2 n LYS 67 N -0.16 0.76 -0.43 2.03 5.02 -1.26 -5.00 118.16 119.11 1sg2 n LYS 67 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1sg2 n LYS 67 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1sg2 n LYS 67 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sg2 n ALA 68 N -0.98 -2.62 0.00 7.82 0.00 -1.26 -5.09 120.51 118.37 1sg2 n ALA 68 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1sg2 n ALA 68 Cb 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1sg2 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg2 n GLY 69 N -0.36 0.76 0.18 0.00 0.00 -1.26 -4.92 105.19 99.59 1sg2 n GLY 69 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1sg2 n GLY 69 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sg2 h SER 70 N 0.00 0.55 -0.01 1.61 0.87 -1.99 -1.27 113.55 113.30 1sg2 h SER 70 Ca 0.00 -0.30 -0.21 0.00 -1.23 0.00 0.00 61.79 60.06 1sg2 h SER 70 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1sg2 h SER 70 CO 0.00 0.72 -0.74 0.44 -0.53 0.00 0.00 176.83 176.72 1sg2 h ASP 71 N 0.37 0.78 0.09 6.23 3.32 -1.99 -1.65 116.42 123.57 1sg2 h ASP 71 Ca 0.09 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1sg2 h ASP 71 Cb 0.43 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1sg2 h ASP 71 CO 0.01 1.27 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.68 1sg2 h ARG 72 N 0.46 -0.12 0.00 3.56 2.43 -1.86 -0.05 114.38 118.80 1sg2 h ARG 72 Ca -0.04 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1sg2 h ARG 72 Cb 1.34 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1sg2 h ARG 72 CO 0.14 0.03 -0.17 1.79 -1.51 0.00 0.00 179.97 180.25 1sg2 h THR 73 N -0.24 0.83 -0.04 0.20 1.35 -1.07 0.34 112.91 114.26 1sg2 h THR 73 Ca -0.01 -0.67 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1sg2 h THR 73 Cb 0.20 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1sg2 h THR 73 CO 0.02 0.17 -0.00 0.50 -0.25 0.00 0.00 175.52 175.96 1sg2 h LYS 74 N 0.00 0.08 -0.83 4.72 3.11 -0.96 -1.52 116.57 121.18 1sg2 h LYS 74 Ca -0.00 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1sg2 h LYS 74 Cb 0.38 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 1sg2 h LYS 74 CO 0.02 0.38 0.54 1.25 -2.81 0.00 0.00 179.45 178.84 1sg2 h LEU 75 N -0.23 0.93 -0.65 5.20 5.85 -0.38 -0.73 115.31 125.31 1sg2 h LEU 75 Ca 0.01 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1sg2 h LEU 75 Cb 0.34 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1sg2 h LEU 75 CO 0.00 0.66 0.39 -0.33 -0.34 0.00 0.00 178.44 178.83 1sg2 h GLU 76 N 1.10 0.73 0.00 1.25 5.08 -0.71 -0.26 114.58 121.76 1sg2 h GLU 76 Ca 0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1sg2 h GLU 76 Cb -0.09 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1sg2 h GLU 76 CO -0.08 0.48 0.00 0.87 -1.00 0.00 0.00 179.01 179.28 1sg2 h LYS 77 N 0.75 0.00 0.07 2.33 1.57 -0.81 -0.55 116.57 119.94 1sg2 h LYS 77 Ca 0.27 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1sg2 h LYS 77 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1sg2 h LYS 77 CO -0.13 0.00 -0.69 0.22 -0.57 0.00 0.00 179.45 178.28 1sg2 h ASP 78 N 0.00 0.23 0.01 0.86 3.58 0.43 -3.24 116.42 118.28 1sg2 h ASP 78 Ca 0.00 -0.90 -0.00 0.00 0.42 0.00 0.00 57.03 56.55 1sg2 h ASP 78 Cb 0.56 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1sg2 h ASP 78 CO 0.00 1.31 -0.00 0.58 -2.88 0.00 0.00 179.24 178.25 1sg2 h VAL 79 N -0.66 1.02 -0.72 2.25 2.07 -1.15 -1.17 116.25 117.91 1sg2 h VAL 79 Ca -0.15 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.43 1sg2 h VAL 79 Cb 1.40 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1sg2 h VAL 79 CO 0.04 0.02 0.48 -0.03 0.02 0.00 0.00 177.57 178.10 1sg2 h MET 80 N -0.04 0.39 0.06 1.57 4.05 -1.23 -0.17 114.93 119.55 1sg2 h MET 80 Ca -0.00 -0.02 -0.25 0.00 -0.28 0.00 0.00 59.70 59.15 1sg2 h MET 80 Cb 0.04 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1sg2 h MET 80 CO 0.00 0.26 -1.17 0.00 0.23 0.00 0.00 176.91 176.23 1sg2 h ALA 81 N 1.66 0.28 0.04 0.39 0.00 -1.44 -2.77 119.26 117.42 1sg2 h ALA 81 Ca 0.35 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1sg2 h ALA 81 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1sg2 h ALA 81 CO -0.11 1.16 -0.02 1.96 0.00 0.00 0.00 179.25 182.25 1sg2 h GLN 82 N 0.03 -0.05 -0.99 0.00 4.20 -0.03 -2.48 115.11 115.79 1sg2 h GLN 82 Ca -0.09 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.81 1sg2 h GLN 82 Cb 1.88 0.01 -0.18 0.00 0.30 0.00 0.00 27.48 29.49 1sg2 h GLN 82 CO 0.16 0.55 -0.28 0.54 -0.67 0.00 0.00 178.83 179.13 1sg2 n ARG 83 N -4.80 -0.12 0.24 1.46 1.74 -0.19 0.26 116.66 115.24 1sg2 n ARG 83 Ca -0.09 1.55 0.11 0.00 -0.77 0.00 0.00 57.85 58.65 1sg2 n ARG 83 Cb 0.31 -2.31 0.54 0.00 -1.02 0.00 0.00 32.46 29.98 1sg2 n ARG 83 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1sg2 h GLN 84 N 0.00 0.00 0.05 5.56 4.20 -1.51 0.26 115.11 123.67 1sg2 h GLN 84 Ca 0.45 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 59.01 1sg2 h GLN 84 Cb 0.70 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.49 1sg2 h GLN 84 CO -1.02 0.18 -0.59 1.15 -0.67 0.00 0.00 178.83 177.88 1sg2 h THR 85 N 0.00 1.49 0.83 -0.54 2.02 -0.50 -2.68 112.91 113.53 1sg2 h THR 85 Ca -0.00 -2.23 -0.04 0.00 0.77 0.00 0.00 66.41 64.91 1sg2 h THR 85 Cb 0.65 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1sg2 h THR 85 CO 0.02 0.63 -0.48 0.15 0.37 0.00 0.00 175.52 176.21 1sg2 h PHE 86 N -0.30 -1.28 -0.75 3.16 3.04 -0.11 0.31 116.94 121.01 1sg2 h PHE 86 Ca -0.09 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.00 1sg2 h PHE 86 Cb 1.36 0.45 -0.10 0.00 2.56 0.00 0.00 35.95 40.22 1sg2 h PHE 86 CO 0.18 -0.73 0.25 0.00 -2.02 0.00 0.00 178.31 175.98 1sg2 h ALA 87 N -1.24 1.02 -0.09 2.41 0.00 -0.63 0.26 119.26 120.99 1sg2 h ALA 87 Ca -0.11 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1sg2 h ALA 87 Cb 0.96 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1sg2 h ALA 87 CO 0.13 -0.28 -0.44 0.37 0.00 0.00 0.00 179.25 179.03 1sg2 h GLN 88 N 0.36 0.21 -0.12 0.00 4.15 -1.23 -2.50 115.11 115.99 1sg2 h GLN 88 Ca 0.42 -0.10 -0.20 0.00 0.77 0.00 0.00 58.65 59.54 1sg2 h GLN 88 Cb 0.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1sg2 h GLN 88 CO -0.46 0.61 -0.73 0.87 -1.93 0.00 0.00 178.83 177.19 1sg2 h LYS 89 N 0.17 0.56 0.68 1.69 1.57 0.13 -2.72 116.57 118.66 1sg2 h LYS 89 Ca 0.01 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1sg2 h LYS 89 Cb 0.84 0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1sg2 h LYS 89 CO 0.07 1.08 -0.33 0.00 -0.57 0.00 0.00 179.45 179.70 1sg2 h ALA 90 N 0.80 -0.91 -0.52 3.86 0.00 -0.53 -2.13 119.26 119.83 1sg2 h ALA 90 Ca -0.04 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1sg2 h ALA 90 Cb 1.33 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 19.39 1sg2 h ALA 90 CO 0.14 -0.87 -0.20 0.94 0.00 0.00 0.00 179.25 179.26 1sg2 n GLN 91 N -5.39 -0.12 0.10 0.00 7.27 -0.95 -1.06 117.38 117.23 1sg2 n GLN 91 Ca -0.12 0.81 0.13 0.00 0.07 0.00 0.00 57.00 57.89 1sg2 n GLN 91 Cb 0.37 -1.20 0.44 0.00 2.41 0.00 0.00 30.24 32.26 1sg2 n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sg2 n ALA 92 N -3.73 2.16 0.06 1.69 0.00 -1.02 -2.20 120.51 117.46 1sg2 n ALA 92 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1sg2 n ALA 92 Cb 0.21 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 1sg2 n ALA 92 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sg2 h PHE 93 N 0.00 0.66 -0.50 0.00 3.57 -0.42 -2.87 116.94 117.38 1sg2 h PHE 93 Ca 0.00 -0.48 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1sg2 h PHE 93 Cb 0.64 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1sg2 h PHE 93 CO 0.00 1.65 0.33 1.49 -2.23 0.00 0.00 178.31 179.55 1sg2 h GLU 94 N 0.10 0.66 0.00 1.11 4.57 -0.92 0.14 114.58 120.25 1sg2 h GLU 94 Ca -0.34 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1sg2 h GLU 94 Cb 2.09 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.53 1sg2 h GLU 94 CO 0.17 0.45 0.00 1.96 -1.18 0.00 0.00 179.01 180.40 1sg2 h GLN 95 N 0.68 0.00 0.06 1.92 4.20 -1.55 0.35 115.11 120.77 1sg2 h GLN 95 Ca 0.18 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.70 1sg2 h GLN 95 Cb -0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1sg2 h GLN 95 CO -0.04 0.00 -1.01 0.22 -0.67 0.00 0.00 178.83 177.33 1sg2 h ASP 96 N 0.00 0.19 0.28 1.46 1.82 -1.19 -3.19 116.42 115.78 1sg2 h ASP 96 Ca 0.00 -0.80 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 1sg2 h ASP 96 Cb 0.56 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 1sg2 h ASP 96 CO 0.00 1.43 -0.32 -0.09 -1.61 0.00 0.00 179.24 178.65 1sg2 h ARG 97 N -0.67 -0.62 -0.51 0.28 2.43 -0.64 -1.57 114.38 113.09 1sg2 h ARG 97 Ca -0.24 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1sg2 h ARG 97 Cb 1.45 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 31.07 1sg2 h ARG 97 CO -0.03 -0.41 0.09 0.00 -1.51 0.00 0.00 179.97 178.11 1sg2 h ALA 98 N -0.09 0.56 0.01 2.80 0.00 -1.11 0.47 119.26 121.90 1sg2 h ALA 98 Ca -0.01 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1sg2 h ALA 98 Cb 0.60 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1sg2 h ALA 98 CO -0.09 -0.32 -0.90 -0.09 0.00 0.00 0.00 179.25 177.85 1sg2 h ARG 99 N 0.22 0.21 0.13 0.00 2.43 -1.54 -1.08 114.38 114.75 1sg2 h ARG 99 Ca 0.26 -0.24 -0.19 0.00 -0.81 0.00 0.00 59.98 58.99 1sg2 h ARG 99 Cb 0.35 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1sg2 h ARG 99 CO -0.34 0.98 -0.83 0.00 -1.51 0.00 0.00 179.97 178.26 1sg2 h ARG 100 N 0.12 0.34 -0.42 0.20 2.47 -0.75 -0.36 114.38 115.98 1sg2 h ARG 100 Ca -0.05 -0.54 0.08 0.00 -1.26 0.00 0.00 59.98 58.22 1sg2 h ARG 100 Cb 1.53 0.19 -0.07 0.00 -1.65 0.00 0.00 29.97 29.97 1sg2 h ARG 100 CO 0.14 1.24 -0.04 0.77 0.56 0.00 0.00 179.97 182.63 1sg2 h SER 101 N -0.28 -0.27 -0.43 7.04 0.02 -0.99 -1.72 113.55 116.92 1sg2 h SER 101 Ca -0.14 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1sg2 h SER 101 Cb 1.63 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 64.30 1sg2 h SER 101 CO 0.16 -0.09 -0.14 -1.13 -1.14 0.00 0.00 176.83 174.48 1sg2 h ASN 102 N 0.06 -0.50 -0.07 3.07 -0.73 -1.10 -0.84 115.58 115.46 1sg2 h ASN 102 Ca 0.21 0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.51 1sg2 h ASN 102 Cb 0.31 0.31 -0.00 0.00 0.27 0.00 0.00 38.32 39.20 1sg2 h ASN 102 CO -0.39 -0.18 0.03 -0.33 -0.37 0.00 0.00 177.43 176.19 1sg2 h GLU 103 N -0.04 0.10 -0.23 6.67 5.08 -0.59 -1.78 114.58 123.79 1sg2 h GLU 103 Ca 0.21 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1sg2 h GLU 103 Cb 0.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1sg2 h GLU 103 CO -0.47 0.23 -0.20 0.93 -1.00 0.00 0.00 179.01 178.51 1sg2 h GLU 104 N -0.05 0.40 0.15 2.33 4.39 -1.14 0.32 114.58 120.98 1sg2 h GLU 104 Ca 0.02 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1sg2 h GLU 104 Cb 0.17 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1sg2 h GLU 104 CO -0.00 0.58 -0.49 -0.09 -1.16 0.00 0.00 179.01 177.85 1sg2 h ARG 105 N 0.36 -0.72 -0.55 2.33 2.43 -1.10 -2.41 114.38 114.73 1sg2 h ARG 105 Ca 0.06 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1sg2 h ARG 105 Cb 0.55 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 1sg2 h ARG 105 CO 0.04 -0.48 0.28 0.78 -1.51 0.00 0.00 179.97 179.08 1sg2 h GLY 106 N -0.75 0.78 0.92 2.80 0.00 -0.38 -1.05 103.07 105.40 1sg2 h GLY 106 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.18 1sg2 h GLY 106 CO -0.26 0.12 0.60 0.50 0.00 0.00 0.00 176.54 177.50 1sg2 h LYS 107 N 0.54 1.08 -0.13 4.80 6.56 -0.89 0.23 116.57 128.77 1sg2 h LYS 107 Ca 0.24 -0.07 -0.12 0.00 -1.06 0.00 0.00 60.65 59.65 1sg2 h LYS 107 Cb 0.15 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1sg2 h LYS 107 CO -0.16 0.72 -0.37 -0.07 -2.06 0.00 0.00 179.45 177.50 1sg2 h LEU 108 N 1.11 0.54 -0.24 2.94 3.38 -0.85 -2.45 115.31 119.75 1sg2 h LEU 108 Ca 0.38 -0.60 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1sg2 h LEU 108 Cb 0.08 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1sg2 h LEU 108 CO -0.13 1.05 -0.40 0.58 0.09 0.00 0.00 178.44 179.63 1sg2 h VAL 109 N 0.07 0.17 -0.98 1.22 2.07 -0.84 -0.97 116.25 116.99 1sg2 h VAL 109 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1sg2 h VAL 109 Cb 0.99 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1sg2 h VAL 109 CO 0.08 0.00 0.65 0.74 0.02 0.00 0.00 177.57 179.06 1sg2 h THR 110 N -0.41 1.21 -0.24 2.57 2.02 -0.93 0.93 112.91 118.07 1sg2 h THR 110 Ca 0.11 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.70 1sg2 h THR 110 Cb 0.59 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1sg2 h THR 110 CO -0.46 0.23 -0.44 0.03 0.37 0.00 0.00 175.52 175.26 1sg2 h ARG 111 N 1.28 0.60 -0.13 6.66 3.08 -1.20 -2.23 114.38 122.44 1sg2 h ARG 111 Ca 0.38 -0.32 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1sg2 h ARG 111 Cb -0.07 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.00 1sg2 h ARG 111 CO -0.10 0.92 -0.49 0.82 -1.07 0.00 0.00 179.97 180.05 1sg2 h ILE 112 N 0.48 1.35 -0.03 2.04 2.04 -0.68 -3.02 117.51 119.69 1sg2 h ILE 112 Ca 0.03 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 1sg2 h ILE 112 Cb 0.96 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1sg2 h ILE 112 CO 0.09 0.54 -0.01 1.56 0.00 0.00 0.00 178.15 180.32 1sg2 h GLN 113 N 0.20 0.04 -0.08 2.37 1.08 -0.66 0.33 115.11 118.39 1sg2 h GLN 113 Ca -0.02 -0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.95 1sg2 h GLN 113 Cb 1.12 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1sg2 h GLN 113 CO 0.10 0.06 -0.84 1.15 -0.95 0.00 0.00 178.83 178.35 1sg2 h THR 114 N 0.04 1.33 -0.48 -0.54 2.02 -1.32 0.15 112.91 114.10 1sg2 h THR 114 Ca 0.01 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.03 1sg2 h THR 114 Cb 0.05 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1sg2 h THR 114 CO 0.00 0.66 0.30 0.00 0.37 0.00 0.00 175.52 176.86 1sg2 h ALA 115 N 0.68 0.62 -0.67 6.16 0.00 -1.32 -2.17 119.26 122.56 1sg2 h ALA 115 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1sg2 h ALA 115 Cb 1.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1sg2 h ALA 115 CO 0.16 0.09 0.34 0.28 0.00 0.00 0.00 179.25 180.13 1sg2 h VAL 116 N 0.65 1.22 -0.13 0.00 2.07 0.32 -1.72 116.25 118.66 1sg2 h VAL 116 Ca 0.18 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1sg2 h VAL 116 Cb -0.03 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1sg2 h VAL 116 CO -0.03 0.25 0.07 0.50 0.02 0.00 0.00 177.57 178.37 1sg2 h LYS 117 N 0.92 0.14 -0.16 1.57 3.64 -0.92 -0.50 116.57 121.26 1sg2 h LYS 117 Ca 0.23 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1sg2 h LYS 117 Cb 0.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1sg2 h LYS 117 CO -0.03 0.09 -0.01 1.03 -2.27 0.00 0.00 179.45 178.26 1sg2 h SER 118 N 0.15 0.29 -0.82 4.20 0.87 -1.21 -1.09 113.55 115.93 1sg2 h SER 118 Ca 0.05 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1sg2 h SER 118 Cb 0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1sg2 h SER 118 CO -0.03 0.54 0.54 0.58 -0.53 0.00 0.00 176.83 177.94 1sg2 h VAL 119 N 0.02 1.21 -0.43 2.23 2.07 -1.20 0.44 116.25 120.60 1sg2 h VAL 119 Ca 0.04 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1sg2 h VAL 119 Cb 0.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1sg2 h VAL 119 CO 0.01 0.20 0.22 0.00 0.02 0.00 0.00 177.57 178.03 1sg2 h ALA 120 N 1.49 0.55 -0.36 1.67 0.00 -0.46 -2.24 119.26 119.90 1sg2 h ALA 120 Ca 0.30 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1sg2 h ALA 120 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sg2 h ALA 120 CO -0.06 0.08 -0.25 -0.91 0.00 0.00 0.00 179.25 178.10 1sg2 h ASN 121 N 0.55 0.74 0.88 0.00 2.35 -0.95 0.46 115.58 119.62 1sg2 h ASN 121 Ca 0.15 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1sg2 h ASN 121 Cb 0.07 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1sg2 h ASN 121 CO -0.02 0.96 0.00 -1.28 -1.65 0.00 0.00 177.43 175.44 1sg2 h SER 122 N 0.63 0.00 0.00 5.81 0.87 -0.63 -3.15 113.55 117.09 1sg2 h SER 122 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1sg2 h SER 122 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1sg2 h SER 122 CO 0.06 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.33 1sg2 n GLN 123 N -2.49 1.95 -2.78 2.24 6.02 -0.87 -4.98 117.38 116.47 1sg2 n GLN 123 Ca 0.02 -1.51 -0.21 0.00 -0.01 0.00 0.00 57.00 55.29 1sg2 n GLN 123 Cb 0.27 -0.98 0.02 0.00 1.02 0.00 0.00 30.24 30.57 1sg2 n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sg2 n ASP 124 N -0.57 -5.89 -4.78 1.08 10.43 -0.74 -4.96 116.55 111.12 1sg2 n ASP 124 Ca 0.03 -0.19 -0.39 0.00 2.57 0.00 0.00 54.79 56.81 1sg2 n ASP 124 Cb 0.40 -4.78 -0.06 0.00 1.84 0.00 0.00 41.12 38.52 1sg2 n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1sg2 s ILE 125 N -3.10 4.40 -0.13 0.53 1.01 0.08 -4.70 121.20 119.29 1sg2 s ILE 125 Ca 0.19 1.67 0.15 0.00 0.00 0.00 0.00 60.65 62.66 1sg2 s ILE 125 Cb -0.08 -4.12 -0.22 0.00 0.01 0.00 0.00 42.46 38.05 1sg2 s ILE 125 CO 0.24 0.52 0.13 0.47 0.00 0.00 0.00 174.94 176.29 1sg2 n ASP 126 N 1.65 0.97 -3.68 3.58 8.00 0.48 -4.63 116.55 122.93 1sg2 n ASP 126 Ca -0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 1sg2 n ASP 126 Cb 0.49 1.09 -0.11 0.00 -0.02 0.00 0.00 41.12 42.57 1sg2 n ASP 126 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sg2 s LEU 127 N -4.99 -0.26 -0.37 0.64 0.20 -1.05 -4.99 118.68 107.86 1sg2 s LEU 127 Ca -0.08 0.78 -0.09 0.00 0.69 0.00 0.00 54.13 55.43 1sg2 s LEU 127 Cb 0.06 1.06 0.04 0.00 -0.43 0.00 0.00 46.19 46.92 1sg2 s LEU 127 CO 0.68 -0.22 0.17 -0.69 -0.29 0.00 0.00 176.35 176.01 1sg2 s VAL 128 N 2.08 4.16 0.13 1.68 1.01 -1.26 -0.72 120.40 127.48 1sg2 s VAL 128 Ca -0.04 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 1sg2 s VAL 128 Cb -0.11 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1sg2 s VAL 128 CO -0.11 -0.27 0.46 -0.69 0.00 0.00 0.00 175.10 174.49 1sg2 s VAL 129 N 1.46 5.02 0.16 2.92 1.01 0.64 -4.85 120.40 126.76 1sg2 s VAL 129 Ca 0.01 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1sg2 s VAL 129 Cb -0.20 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1sg2 s VAL 129 CO 0.04 0.18 1.17 -1.81 0.00 0.00 0.00 175.10 174.68 1sg2 s ASP 130 N -1.94 7.14 0.43 3.32 1.01 -1.26 -1.38 116.67 123.99 1sg2 s ASP 130 Ca 0.38 2.14 0.12 0.00 0.71 0.00 0.00 52.55 55.89 1sg2 s ASP 130 Cb -0.13 -2.60 0.98 0.00 1.01 0.00 0.00 42.92 42.17 1sg2 s ASP 130 CO 0.20 -0.34 2.01 0.00 0.21 0.00 0.00 175.17 177.24 1sg2 h ALA 131 N 5.53 1.92 -0.46 5.23 0.00 -1.32 0.99 119.26 131.15 1sg2 h ALA 131 Ca -0.44 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.58 1sg2 h ALA 131 Cb 1.21 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1sg2 h ALA 131 CO 0.75 -0.02 0.01 -1.71 0.00 0.00 0.00 179.25 178.29 1sg2 n ASN 132 N -4.47 -0.05 -0.71 0.00 5.15 -1.26 -1.85 115.26 112.06 1sg2 n ASN 132 Ca 0.08 0.78 0.11 0.00 -0.60 0.00 0.00 54.58 54.95 1sg2 n ASN 132 Cb 0.27 -0.28 0.34 0.00 -0.53 0.00 0.00 39.78 39.57 1sg2 n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sg2 n ALA 133 N -3.43 2.50 -3.61 5.20 0.00 0.34 -4.88 120.51 116.64 1sg2 n ALA 133 Ca 0.11 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 1sg2 n ALA 133 Cb 0.35 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 1sg2 n ALA 133 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sg2 s VAL 134 N -1.78 2.31 -0.53 0.00 1.01 -0.77 -4.97 120.40 115.67 1sg2 s VAL 134 Ca 0.34 -0.89 0.22 0.00 0.00 0.00 0.00 61.98 61.66 1sg2 s VAL 134 Cb 0.19 -1.95 -0.17 0.00 0.00 0.00 0.00 36.38 34.46 1sg2 s VAL 134 CO 0.29 0.53 0.90 0.00 0.00 0.00 0.00 175.10 176.82 1sg2 n ALA 135 N 4.11 3.43 -3.63 5.51 0.00 -1.26 -4.95 120.51 123.72 1sg2 n ALA 135 Ca -0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 1sg2 n ALA 135 Cb 0.51 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1sg2 n ALA 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1sg2 s TYR 136 N -3.24 -0.41 -0.07 0.00 6.14 -1.26 -5.17 117.35 113.34 1sg2 s TYR 136 Ca 0.02 0.97 -0.08 0.00 0.64 0.00 0.00 57.07 58.61 1sg2 s TYR 136 Cb 0.14 0.39 0.02 0.00 0.42 0.00 0.00 41.96 42.93 1sg2 s TYR 136 CO 0.83 -0.22 0.22 0.54 0.64 0.00 0.00 175.55 177.56 1sg2 s ASN 137 N 0.01 -0.20 0.88 4.32 4.22 -1.26 -5.15 114.94 117.77 1sg2 s ASN 137 Ca 0.03 0.34 -0.12 0.00 -2.14 0.00 0.00 52.86 50.97 1sg2 s ASN 137 Cb -0.04 0.42 0.12 0.00 1.28 0.00 0.00 41.25 43.03 1sg2 s ASN 137 CO -0.06 -0.15 1.11 -0.94 -2.04 0.00 0.00 177.10 175.02 1sg2 s SER 138 N -0.20 3.72 0.05 3.54 1.04 -1.26 -4.88 113.70 115.71 1sg2 s SER 138 Ca -0.03 1.18 0.27 0.00 0.48 0.00 0.00 55.95 57.84 1sg2 s SER 138 Cb -0.03 -1.83 0.84 0.00 0.10 0.00 0.00 66.02 65.10 1sg2 s SER 138 CO 0.01 -2.44 1.68 -1.54 0.98 0.00 0.00 173.24 171.92 1sg2 n SER 139 N -3.72 0.37 -0.61 7.02 3.41 -1.26 -1.57 113.62 117.26 1sg2 n SER 139 Ca 0.07 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 1sg2 n SER 139 Cb 0.57 -0.25 0.34 0.00 -0.26 0.00 0.00 64.21 64.61 1sg2 n SER 139 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sg2 n ASP 140 N -1.72 1.82 -4.46 4.04 3.85 -1.26 -4.64 116.55 114.19 1sg2 n ASP 140 Ca 0.06 -1.76 -0.43 0.00 -0.71 0.00 0.00 54.79 51.95 1sg2 n ASP 140 Cb 0.37 -0.13 -0.09 0.00 -1.35 0.00 0.00 41.12 39.92 1sg2 n ASP 140 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1sg2 s VAL 141 N -1.74 5.18 0.24 2.12 1.01 -0.61 -5.05 120.40 121.55 1sg2 s VAL 141 Ca 0.32 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1sg2 s VAL 141 Cb 0.17 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 1sg2 s VAL 141 CO 0.26 -0.41 1.47 -0.75 0.00 0.00 0.00 175.10 175.67 1sg2 s LYS 142 N 1.87 4.25 -0.47 2.72 2.20 -1.26 -4.76 119.74 124.29 1sg2 s LYS 142 Ca 0.08 2.34 -0.21 0.00 -0.36 0.00 0.00 55.97 57.81 1sg2 s LYS 142 Cb -0.19 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1sg2 s LYS 142 CO 0.11 -0.47 0.72 0.34 -0.36 0.00 0.00 175.35 175.69 1sg2 s ASP 143 N 0.50 6.32 -0.20 1.43 -1.08 -1.26 -0.70 116.67 121.68 1sg2 s ASP 143 Ca 0.61 -0.41 0.08 0.00 -0.52 0.00 0.00 52.55 52.31 1sg2 s ASP 143 Cb -0.43 -2.35 0.55 0.00 -1.46 0.00 0.00 42.92 39.24 1sg2 s ASP 143 CO 0.42 -0.90 1.43 2.30 0.52 0.00 0.00 175.17 178.94 1sg2 n ILE 144 N 5.92 2.07 -0.18 4.11 -5.35 0.17 -4.53 119.36 121.57 1sg2 n ILE 144 Ca -0.01 -1.06 -0.07 0.00 -0.27 0.00 0.00 62.75 61.34 1sg2 n ILE 144 Cb 0.47 -0.41 0.02 0.00 -1.74 0.00 0.00 39.64 37.98 1sg2 n ILE 144 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1sg2 h THR 145 N 2.32 1.14 -0.50 7.28 2.02 -1.92 -1.50 112.91 121.75 1sg2 h THR 145 Ca 0.10 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1sg2 h THR 145 Cb 1.71 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1sg2 h THR 145 CO 0.44 0.13 -0.16 0.00 0.37 0.00 0.00 175.52 176.30 1sg2 h ALA 146 N 1.19 0.70 -0.20 6.16 0.00 -1.97 0.04 119.26 125.18 1sg2 h ALA 146 Ca 0.19 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1sg2 h ALA 146 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sg2 h ALA 146 CO -0.04 0.65 -0.29 -0.44 0.00 0.00 0.00 179.25 179.13 1sg2 h ASP 147 N 0.86 0.39 -0.14 0.00 3.32 -1.82 -2.04 116.42 116.98 1sg2 h ASP 147 Ca 0.12 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1sg2 h ASP 147 Cb 0.73 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1sg2 h ASP 147 CO 0.06 0.67 -0.14 0.58 -1.72 0.00 0.00 179.24 178.69 1sg2 h VAL 148 N 0.34 1.35 -0.61 -1.35 2.07 -0.84 -2.85 116.25 114.36 1sg2 h VAL 148 Ca 0.05 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.39 1sg2 h VAL 148 Cb 0.69 1.87 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 1sg2 h VAL 148 CO 0.05 0.38 0.15 0.25 0.02 0.00 0.00 177.57 178.42 1sg2 h LEU 149 N -0.02 0.04 -1.70 2.57 5.85 -0.90 -0.91 115.31 120.23 1sg2 h LEU 149 Ca 0.02 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1sg2 h LEU 149 Cb 0.67 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1sg2 h LEU 149 CO 0.03 0.03 0.00 0.11 -0.34 0.00 0.00 178.44 178.27 1sg2 h LYS 150 N 0.28 0.00 -0.00 1.25 1.57 -1.13 -2.32 116.57 116.23 1sg2 h LYS 150 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1sg2 h LYS 150 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1sg2 h LYS 150 CO -0.39 0.00 -0.51 0.94 -0.57 0.00 0.00 179.45 178.92 1sg2 n GLN 151 N -2.53 2.94 -1.92 3.15 -0.06 -0.40 -4.96 117.38 113.60 1sg2 n GLN 151 Ca -0.01 -0.10 -0.42 0.00 -2.00 0.00 0.00 57.00 54.47 1sg2 n GLN 151 Cb 0.10 -1.07 -0.03 0.00 -4.06 0.00 0.00 30.24 25.18 1sg2 n GLN 151 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1sg2 s VAL 152 N -2.03 2.94 -0.96 1.69 1.01 -0.87 -4.74 120.40 117.44 1sg2 s VAL 152 Ca 0.05 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1sg2 s VAL 152 Cb 0.09 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 33.24 1sg2 s VAL 152 CO 0.46 0.00 0.74 0.29 0.00 0.00 0.00 175.10 176.60