#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dls s SER 2 N 0.00 0.56 0.28 1.61 0.01 -1.26 -5.09 113.70 109.81 2dls s SER 2 Ca 0.00 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.96 2dls s SER 2 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 2dls s SER 2 CO 0.00 -0.11 0.17 -0.44 0.41 0.00 0.00 173.24 173.27 2dls s SER 3 N -0.90 1.19 -0.60 2.44 0.01 -1.26 -4.98 113.70 109.60 2dls s SER 3 Ca -0.06 -1.54 -0.16 0.00 1.31 0.00 0.00 55.95 55.50 2dls s SER 3 Cb -0.06 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.60 2dls s SER 3 CO -0.00 -0.90 0.64 0.61 0.41 0.00 0.00 173.24 174.00 2dls n GLY 4 N -0.50 -0.86 0.98 3.44 0.00 -1.26 -4.97 105.19 102.01 2dls n GLY 4 Ca 0.02 0.90 -0.01 0.00 0.00 0.00 0.00 46.02 46.94 2dls n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dls n SER 5 N -1.17 1.04 -4.56 1.61 7.64 -1.26 -4.92 113.62 112.00 2dls n SER 5 Ca -0.08 0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 2dls n SER 5 Cb 0.60 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.41 2dls n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dls s SER 6 N -5.87 4.91 0.00 6.43 0.01 -1.26 -4.77 113.70 113.15 2dls s SER 6 Ca -0.02 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2dls s SER 6 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dls s SER 6 CO 0.03 -2.99 0.00 0.61 0.41 0.00 0.00 173.24 171.29 2dls n GLY 7 N 6.72 -0.08 3.26 3.44 0.00 -1.26 -5.11 105.19 112.15 2dls n GLY 7 Ca 0.42 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2dls n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dls s VAL 8 N -2.00 2.88 0.14 1.61 1.01 -1.26 -5.03 120.40 117.74 2dls s VAL 8 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.38 2dls s VAL 8 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2dls s VAL 8 CO 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 2dls s GLN 9 N 1.19 2.13 0.07 2.72 -2.07 -1.26 -1.70 119.66 120.74 2dls s GLN 9 Ca 0.02 -1.11 0.10 0.00 -1.82 0.00 0.00 55.36 52.55 2dls s GLN 9 Cb -0.14 -2.27 -0.03 0.00 -1.09 0.00 0.00 33.01 29.48 2dls s GLN 9 CO -0.04 0.48 -0.27 0.50 -1.32 0.00 0.00 175.29 174.64 2dls s ARG 10 N -2.48 1.68 -0.43 9.60 6.06 -0.93 -4.98 118.95 127.47 2dls s ARG 10 Ca 0.23 -1.18 -0.22 0.00 -2.50 0.00 0.00 55.73 52.06 2dls s ARG 10 Cb -0.10 -1.95 0.02 0.00 0.06 0.00 0.00 34.95 32.97 2dls s ARG 10 CO 0.15 0.49 0.73 0.00 -2.50 0.00 0.00 175.30 174.17 2dls s VAL 12 N 3.09 3.44 -0.02 0.00 0.11 -0.83 -4.99 120.40 121.20 2dls s VAL 12 Ca 0.28 -1.43 -0.01 0.00 -2.93 0.00 0.00 61.98 57.89 2dls s VAL 12 Cb -0.13 -2.67 0.02 0.00 -1.53 0.00 0.00 36.38 32.06 2dls s VAL 12 CO 0.20 -0.02 0.03 -0.63 -3.33 0.00 0.00 175.10 171.35 2dls s ILE 13 N -1.52 -0.03 -0.04 7.04 1.01 -1.26 -1.05 121.20 125.35 2dls s ILE 13 Ca 0.24 0.11 0.05 0.00 0.00 0.00 0.00 60.65 61.05 2dls s ILE 13 Cb -0.10 -0.07 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2dls s ILE 13 CO 0.16 0.04 -0.20 -0.63 0.00 0.00 0.00 174.94 174.31 2dls s ILE 14 N 0.55 1.64 -0.01 2.92 1.01 -1.08 -4.94 121.20 121.28 2dls s ILE 14 Ca -0.05 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.82 2dls s ILE 14 Cb -0.06 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2dls s ILE 14 CO -0.02 0.47 -0.21 0.00 0.00 0.00 0.00 174.94 175.18 2dls s GLN 15 N -0.14 1.68 0.17 2.79 -2.07 -1.26 -1.93 119.66 118.90 2dls s GLN 15 Ca -0.01 -0.75 -0.31 0.00 -1.82 0.00 0.00 55.36 52.46 2dls s GLN 15 Cb -0.11 -1.63 -0.17 0.00 -1.09 0.00 0.00 33.01 30.01 2dls s GLN 15 CO 0.02 0.45 0.88 0.36 -1.32 0.00 0.00 175.29 175.67 2dls n LYS 16 N 2.54 0.56 0.03 9.60 2.85 -1.24 -4.91 118.16 127.58 2dls n LYS 16 Ca -0.15 0.20 -0.01 0.00 -1.05 0.00 0.00 58.31 57.29 2dls n LYS 16 Cb 0.53 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 33.42 2dls n LYS 16 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2dls n ASP 17 N 1.79 1.06 0.01 -5.58 5.75 -1.20 -4.88 116.55 113.50 2dls n ASP 17 Ca 0.16 0.14 -0.03 0.00 -0.01 0.00 0.00 54.79 55.05 2dls n ASP 17 Cb 0.23 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 39.97 2dls n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dls n GLN 18 N -3.53 0.13 -2.44 0.11 1.13 -1.26 -4.87 117.38 106.65 2dls n GLN 18 Ca -0.02 0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 2dls n GLN 18 Cb 0.12 -0.73 0.03 0.00 0.11 0.00 0.00 30.24 29.77 2dls n GLN 18 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2dls n HIS 19 N -3.65 2.08 -0.30 1.08 8.25 -1.26 -5.10 115.22 116.32 2dls n HIS 19 Ca -0.05 -2.30 0.00 0.00 -0.26 0.00 0.00 57.72 55.11 2dls n HIS 19 Cb 0.22 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2dls n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dls n GLY 20 N -0.60 0.66 3.86 -1.41 0.00 -1.26 -4.88 105.19 101.55 2dls n GLY 20 Ca 0.26 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 2dls n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dls s PHE 21 N 0.00 3.63 -0.07 1.61 0.08 -1.26 -3.23 117.98 118.74 2dls s PHE 21 Ca 0.00 0.79 0.12 0.00 0.12 0.00 0.00 56.93 57.96 2dls s PHE 21 Cb 0.00 -2.15 -0.23 0.00 -0.57 0.00 0.00 43.02 40.07 2dls s PHE 21 CO 0.00 0.59 0.57 0.41 -0.10 0.00 0.00 175.22 176.69 2dls n GLY 22 N 1.31 -0.98 3.84 4.36 0.00 -1.26 -4.93 105.19 107.53 2dls n GLY 22 Ca -0.11 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2dls n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dls s PHE 23 N -2.58 3.44 -0.01 1.61 -0.71 -1.26 -3.38 117.98 115.09 2dls s PHE 23 Ca -0.06 1.43 -0.04 0.00 -1.04 0.00 0.00 56.93 57.22 2dls s PHE 23 Cb 0.08 -2.75 0.00 0.00 -1.21 0.00 0.00 43.02 39.13 2dls s PHE 23 CO 0.82 -0.31 0.08 0.95 -1.34 0.00 0.00 175.22 175.42 2dls s THR 24 N -2.55 0.04 0.02 -4.49 -4.23 -0.70 -5.01 115.64 98.72 2dls s THR 24 Ca 0.58 -0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 2dls s THR 24 Cb -0.10 -0.24 -0.03 0.00 1.34 0.00 0.00 72.50 73.47 2dls s THR 24 CO 0.30 -0.20 -0.17 0.68 -0.54 0.00 0.00 174.62 174.69 2dls s VAL 25 N -0.64 2.88 0.00 2.29 -7.23 -1.26 0.84 120.40 117.28 2dls s VAL 25 Ca -0.07 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2dls s VAL 25 Cb -0.04 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2dls s VAL 25 CO 0.00 0.39 0.66 -0.24 -0.31 0.00 0.00 175.10 175.61 2dls n SER 26 N 1.71 0.87 -4.64 4.85 2.88 -1.19 -4.85 113.62 113.24 2dls n SER 26 Ca -0.16 -1.40 -0.43 0.00 -1.33 0.00 0.00 58.87 55.55 2dls n SER 26 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2dls n SER 26 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dls s GLY 27 N -0.40 1.59 0.00 0.46 0.00 -1.26 -4.94 107.32 102.77 2dls s GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2dls s GLY 27 CO 0.00 2.25 0.45 1.34 0.00 0.00 0.00 173.10 177.14 2dls n ASP 28 N 6.73 0.00 -0.06 1.64 2.03 -1.26 -3.52 116.55 122.11 2dls n ASP 28 Ca 0.12 0.71 -0.15 0.00 0.52 0.00 0.00 54.79 55.99 2dls n ASP 28 Cb 0.47 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 2dls n ASP 28 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dls h ARG 29 N 0.00 0.63 -4.50 -0.67 2.43 -1.93 -3.13 114.38 107.20 2dls h ARG 29 Ca 0.00 -0.42 -0.65 0.00 -0.81 0.00 0.00 59.98 58.10 2dls h ARG 29 Cb 0.00 0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 29.21 2dls h ARG 29 CO 0.00 1.04 -0.73 0.42 -1.51 0.00 0.00 179.97 179.19 2dls s ILE 30 N -3.99 2.04 -0.13 1.20 -1.09 -1.26 -4.13 121.20 113.84 2dls s ILE 30 Ca -0.12 -2.17 -0.34 0.00 -2.23 0.00 0.00 60.65 55.79 2dls s ILE 30 Cb 0.07 -2.50 -0.11 0.00 -1.58 0.00 0.00 42.46 38.34 2dls s ILE 30 CO 0.84 -0.60 1.92 0.52 -1.23 0.00 0.00 174.94 176.40 2dls n VAL 31 N 4.36 0.53 -4.21 2.92 0.31 -1.23 -4.30 118.33 116.72 2dls n VAL 31 Ca 0.02 -0.14 -0.18 0.00 -0.01 0.00 0.00 64.34 64.04 2dls n VAL 31 Cb 0.42 -1.88 -0.15 0.00 -0.91 0.00 0.00 33.84 31.32 2dls n VAL 31 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2dls s LEU 32 N 4.59 1.73 -0.46 7.52 1.43 -1.26 -3.24 118.68 128.99 2dls s LEU 32 Ca 0.95 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.66 2dls s LEU 32 Cb -0.70 -0.38 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 2dls s LEU 32 CO 0.51 0.03 2.39 0.52 0.23 0.00 0.00 176.35 180.03 2dls n VAL 33 N 3.38 0.02 0.20 -1.59 0.31 -1.13 -3.20 118.33 116.32 2dls n VAL 33 Ca -0.18 -0.66 -0.15 0.00 -0.01 0.00 0.00 64.34 63.34 2dls n VAL 33 Cb 0.55 -2.56 -0.08 0.00 -0.91 0.00 0.00 33.84 30.84 2dls n VAL 33 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2dls h GLN 34 N 17.91 -0.48 -3.50 5.55 4.15 0.11 -3.23 115.11 135.62 2dls h GLN 34 Ca -0.26 0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.09 2dls h GLN 34 Cb 1.27 0.11 -0.17 0.00 0.21 0.00 0.00 27.48 28.90 2dls h GLN 34 CO 1.13 -0.22 -0.33 -1.12 -1.93 0.00 0.00 178.83 176.35 2dls s SER 35 N -4.88 -0.02 -0.09 -0.69 0.01 -1.15 -4.90 113.70 101.98 2dls s SER 35 Ca -0.15 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 2dls s SER 35 Cb 0.03 0.32 0.03 0.00 0.21 0.00 0.00 66.02 66.61 2dls s SER 35 CO 0.59 -0.61 -0.03 -0.69 0.41 0.00 0.00 173.24 172.91 2dls s VAL 36 N -2.75 0.66 0.17 3.43 1.01 -1.26 -1.72 120.40 119.94 2dls s VAL 36 Ca -0.04 -0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 2dls s VAL 36 Cb -0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 36.38 35.45 2dls s VAL 36 CO -0.05 0.31 0.92 -1.14 0.00 0.00 0.00 175.10 175.14 2dls n ARG 37 N 5.06 0.61 0.00 2.72 3.00 -1.22 -4.79 116.66 122.04 2dls n ARG 37 Ca -0.09 0.22 0.08 0.00 -0.00 0.00 0.00 57.85 58.05 2dls n ARG 37 Cb 0.50 -1.53 0.45 0.00 0.00 0.00 0.00 32.46 31.88 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2dls n PRO 38 N 1.31 0.46 -2.68 -0.14 -0.04 -1.26 -3.52 135.00 129.12 2dls n PRO 38 Ca 0.16 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2dls n PRO 38 Cb 0.23 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2dls n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dls n GLY 39 N -0.02 1.21 0.00 0.55 0.00 -1.26 -5.11 105.19 100.55 2dls n GLY 39 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dls n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dls n GLY 40 N -0.68 5.10 0.07 -0.02 0.00 -1.23 -5.07 105.19 103.36 2dls n GLY 40 Ca -0.07 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 2dls n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls h ALA 41 N 0.74 -0.00 -0.69 4.61 0.00 -1.91 -3.29 119.26 118.72 2dls h ALA 41 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.55 2dls h ALA 41 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 2dls h ALA 41 CO 0.00 -0.06 -0.51 0.00 0.00 0.00 0.00 179.25 178.68 2dls h ALA 42 N 0.08 -0.58 -0.68 0.00 0.00 -1.93 0.65 119.26 116.80 2dls h ALA 42 Ca -0.00 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.11 2dls h ALA 42 Cb 0.86 1.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.76 2dls h ALA 42 CO 0.00 -0.90 -0.23 1.98 0.00 0.00 0.00 179.25 180.10 2dls h MET 43 N -0.14 -0.05 -0.83 0.00 -1.53 -1.76 0.25 114.93 110.88 2dls h MET 43 Ca 0.11 0.00 0.10 0.00 -3.44 0.00 0.00 59.70 56.47 2dls h MET 43 Cb 0.43 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.41 2dls h MET 43 CO -0.72 -0.03 0.47 0.87 0.14 0.00 0.00 176.91 177.64 2dls h LYS 44 N -0.05 0.76 -0.30 0.39 1.57 -1.02 -0.20 116.57 117.72 2dls h LYS 44 Ca 0.31 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2dls h LYS 44 Cb 0.53 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2dls h LYS 44 CO -0.73 0.50 0.17 0.00 -0.57 0.00 0.00 179.45 178.83 2dls h ALA 45 N 1.47 1.74 0.00 3.86 0.00 0.11 -3.46 119.26 122.98 2dls h ALA 45 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dls h ALA 45 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dls h ALA 45 CO -0.26 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.63 2dls n GLY 46 N -1.42 1.27 3.35 0.00 0.00 -0.09 -5.00 105.19 103.30 2dls n GLY 46 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2dls n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dls s VAL 47 N -2.00 3.80 0.30 1.61 1.01 -1.16 -5.03 120.40 118.94 2dls s VAL 47 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.57 2dls s VAL 47 Cb 0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2dls s VAL 47 CO 0.00 0.26 -0.04 -0.54 0.00 0.00 0.00 175.10 174.78 2dls s LYS 48 N 1.51 2.06 0.66 2.72 -0.14 -1.26 -4.34 119.74 120.96 2dls s LYS 48 Ca 0.04 -1.63 -0.17 0.00 -1.36 0.00 0.00 55.97 52.85 2dls s LYS 48 Cb -0.16 -1.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.00 2dls s LYS 48 CO 0.01 0.27 1.09 0.39 -0.76 0.00 0.00 175.35 176.34 2dls n GLU 49 N -0.85 0.82 0.00 1.68 1.02 -1.26 -2.50 120.64 119.55 2dls n GLU 49 Ca -0.05 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2dls n GLU 49 Cb 0.61 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 2dls n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dls n GLY 50 N 1.08 3.23 3.74 0.62 0.00 -1.22 -5.00 105.19 107.64 2dls n GLY 50 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2dls n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dls n ASP 51 N 0.01 3.85 -4.61 1.61 -0.08 -1.04 -4.82 116.55 111.47 2dls n ASP 51 Ca 0.00 1.15 -0.34 0.00 -1.51 0.00 0.00 54.79 54.08 2dls n ASP 51 Cb 0.00 -1.59 -0.11 0.00 2.34 0.00 0.00 41.12 41.76 2dls n ASP 51 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2dls s ARG 52 N -0.50 3.16 -0.16 -0.67 3.52 -1.26 -2.86 118.95 120.17 2dls s ARG 52 Ca 0.64 -0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 55.66 2dls s ARG 52 Cb -0.50 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 2dls s ARG 52 CO 0.48 0.55 0.21 0.42 -0.81 0.00 0.00 175.30 176.15 2dls s ILE 53 N -0.47 5.36 -0.26 4.11 1.01 -1.20 -3.78 121.20 125.98 2dls s ILE 53 Ca 0.08 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 2dls s ILE 53 Cb -0.12 -3.54 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 2dls s ILE 53 CO 0.02 0.45 -0.34 -0.38 0.00 0.00 0.00 174.94 174.69 2dls n ILE 54 N 3.27 1.46 -4.27 2.92 5.41 -0.92 -4.53 119.36 122.70 2dls n ILE 54 Ca -0.15 -0.31 -0.18 0.00 1.00 0.00 0.00 62.75 63.12 2dls n ILE 54 Cb 0.52 -1.91 -0.11 0.00 -0.71 0.00 0.00 39.64 37.43 2dls n ILE 54 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2dls s LYS 55 N -2.53 1.11 -0.21 0.38 2.20 -1.26 -0.59 119.74 118.84 2dls s LYS 55 Ca -0.36 -1.37 -0.04 0.00 -0.36 0.00 0.00 55.97 53.84 2dls s LYS 55 Cb 0.13 -0.92 0.09 0.00 -1.51 0.00 0.00 37.83 35.62 2dls s LYS 55 CO 0.46 0.16 0.17 0.08 -0.36 0.00 0.00 175.35 175.86 2dls s VAL 56 N -2.54 -0.22 -1.57 4.02 1.01 0.66 -1.41 120.40 120.36 2dls s VAL 56 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2dls s VAL 56 Cb -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2dls s VAL 56 CO 0.04 -0.34 0.24 0.59 0.00 0.00 0.00 175.10 175.63 2dls n ASN 57 N 5.29 -5.54 0.00 3.32 4.13 0.25 -0.60 115.26 122.11 2dls n ASN 57 Ca -0.06 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2dls n ASN 57 Cb 0.48 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dls n GLY 58 N -1.17 1.28 3.48 7.41 0.00 -1.26 -5.02 105.19 109.91 2dls n GLY 58 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2dls n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dls s THR 59 N -2.33 5.16 0.28 2.61 2.01 0.24 -5.05 115.64 118.56 2dls s THR 59 Ca 0.00 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2dls s THR 59 Cb 0.00 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 2dls s THR 59 CO 0.00 -0.35 1.47 -0.04 -0.69 0.00 0.00 174.62 175.01 2dls s MET 60 N 1.95 4.23 -0.12 4.92 -1.94 -1.26 -0.24 119.30 126.84 2dls s MET 60 Ca 0.09 2.38 0.14 0.00 -1.71 0.00 0.00 55.69 56.60 2dls s MET 60 Cb -0.18 -3.07 0.30 0.00 2.01 0.00 0.00 34.83 33.88 2dls s MET 60 CO 0.12 -0.46 1.15 1.33 -0.01 0.00 0.00 175.02 177.15 2dls n VAL 61 N 2.02 1.45 -0.24 -6.03 0.24 0.24 -4.81 118.33 111.21 2dls n VAL 61 Ca 0.06 -2.03 -0.00 0.00 -2.04 0.00 0.00 64.34 60.32 2dls n VAL 61 Cb 0.40 0.03 0.11 0.00 -1.47 0.00 0.00 33.84 32.91 2dls n VAL 61 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2dls h THR 62 N 2.29 0.92 -1.43 3.34 1.35 -1.78 -3.13 112.91 114.47 2dls h THR 62 Ca -0.03 -0.22 -0.51 0.00 -0.55 0.00 0.00 66.41 65.10 2dls h THR 62 Cb 1.17 0.21 -0.41 0.00 -1.73 0.00 0.00 68.15 67.39 2dls h THR 62 CO 0.01 0.12 -0.90 0.59 -0.25 0.00 0.00 175.52 175.09 2dls n ASN 63 N -4.82 3.45 -4.50 5.36 3.02 -1.26 -4.70 115.26 111.82 2dls n ASN 63 Ca 0.09 -3.36 -0.28 0.00 -0.03 0.00 0.00 54.58 51.01 2dls n ASN 63 Cb 0.21 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 2dls n ASN 63 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dls s SER 64 N -3.35 3.92 0.04 6.41 1.04 -1.18 -5.08 113.70 115.49 2dls s SER 64 Ca 0.41 -0.62 -0.27 0.00 0.48 0.00 0.00 55.95 55.95 2dls s SER 64 Cb 0.41 -0.55 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 2dls s SER 64 CO -0.11 0.15 0.86 -0.94 0.98 0.00 0.00 173.24 174.18 2dls s SER 65 N -2.44 7.30 0.24 7.02 1.04 -1.26 -4.50 113.70 121.11 2dls s SER 65 Ca 0.20 1.56 -0.14 0.00 0.48 0.00 0.00 55.95 58.06 2dls s SER 65 Cb -0.10 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.81 2dls s SER 65 CO 0.12 -0.09 1.54 1.57 0.98 0.00 0.00 173.24 177.36 2dls n HIS 66 N 3.17 0.13 -0.41 5.02 -0.00 -1.18 -0.76 115.22 121.18 2dls n HIS 66 Ca 0.01 1.22 -0.11 0.00 0.46 0.00 0.00 57.72 59.30 2dls n HIS 66 Cb 0.50 -0.94 -0.10 0.00 -0.12 0.00 0.00 29.99 29.34 2dls n HIS 66 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2dls n LEU 67 N -5.51 -1.04 -0.33 0.27 4.77 -1.26 0.31 117.00 114.21 2dls n LEU 67 Ca 0.12 1.75 -0.01 0.00 -0.03 0.00 0.00 56.01 57.84 2dls n LEU 67 Cb 0.43 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 41.40 2dls n LEU 67 CO -0.13 -1.43 1.23 -0.33 -1.33 0.00 0.00 177.39 175.40 2dls h GLU 68 N 0.00 1.10 -0.67 3.23 4.39 -1.34 -2.36 114.58 118.91 2dls h GLU 68 Ca 0.16 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.89 2dls h GLU 68 Cb 0.41 -0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 2dls h GLU 68 CO -0.93 0.73 0.31 0.28 -1.16 0.00 0.00 179.01 178.24 2dls h VAL 69 N 1.13 0.82 -0.66 3.13 2.07 0.78 -2.49 116.25 121.03 2dls h VAL 69 Ca 0.35 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.79 2dls h VAL 69 Cb -0.02 0.24 -0.12 0.00 -1.52 0.00 0.00 31.29 29.87 2dls h VAL 69 CO -0.11 0.10 -0.39 0.58 0.02 0.00 0.00 177.57 177.77 2dls h VAL 70 N 0.53 0.11 -0.88 2.57 2.07 -0.30 0.26 116.25 120.61 2dls h VAL 70 Ca 0.33 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.01 2dls h VAL 70 Cb 0.37 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 2dls h VAL 70 CO -0.28 0.00 0.46 0.11 0.02 0.00 0.00 177.57 177.88 2dls h LYS 71 N -0.16 0.61 -0.45 1.57 1.57 -1.52 -0.58 116.57 117.61 2dls h LYS 71 Ca 0.23 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2dls h LYS 71 Cb 0.56 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2dls h LYS 71 CO -0.74 0.40 0.22 -0.07 -0.57 0.00 0.00 179.45 178.70 2dls h LEU 72 N 0.63 0.31 -1.35 2.94 3.38 -0.45 -0.33 115.31 120.44 2dls h LEU 72 Ca 0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2dls h LEU 72 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dls h LEU 72 CO -0.38 0.22 0.00 0.40 0.09 0.00 0.00 178.44 178.77 2dls h ILE 73 N 0.44 0.00 -1.02 1.22 2.04 -0.33 -2.99 117.51 116.87 2dls h ILE 73 Ca 0.20 -0.29 -0.55 0.00 1.00 0.00 0.00 64.86 65.22 2dls h ILE 73 Cb 0.11 1.13 -0.22 0.00 -0.74 0.00 0.00 36.82 37.11 2dls h ILE 73 CO -0.15 0.00 0.67 0.29 0.00 0.00 0.00 178.15 178.96 2dls n LYS 74 N -2.67 2.36 -3.86 2.37 4.76 -0.13 -4.74 118.16 116.25 2dls n LYS 74 Ca 0.01 -2.60 -0.33 0.00 -2.87 0.00 0.00 58.31 52.52 2dls n LYS 74 Cb 0.22 -2.05 -0.12 0.00 -1.84 0.00 0.00 35.03 31.24 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dls s SER 75 N -0.63 4.78 0.18 4.39 0.15 -1.13 -4.99 113.70 116.44 2dls s SER 75 Ca 0.51 -2.75 0.00 0.00 0.70 0.00 0.00 55.95 54.41 2dls s SER 75 Cb 0.39 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2dls s SER 75 CO -0.12 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dls n GLY 76 N 3.53 1.05 0.10 9.45 0.00 -1.26 -4.49 105.19 113.57 2dls n GLY 76 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2dls n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls n ALA 77 N 3.29 2.09 -4.48 4.61 0.00 -1.26 -5.10 120.51 119.67 2dls n ALA 77 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2dls n ALA 77 Cb 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 2dls n ALA 77 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2dls n TYR 78 N -2.52 0.64 -3.76 0.00 0.18 -1.26 -3.62 117.16 106.82 2dls n TYR 78 Ca 0.00 -2.22 -0.13 0.00 1.88 0.00 0.00 57.90 57.44 2dls n TYR 78 Cb 0.49 -0.33 -0.13 0.00 -0.38 0.00 0.00 39.34 38.99 2dls n TYR 78 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2dls s VAL 79 N -2.60 -0.02 -0.35 -3.48 0.11 -0.81 -4.66 120.40 108.57 2dls s VAL 79 Ca 0.07 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.05 2dls s VAL 79 Cb -0.01 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2dls s VAL 79 CO 0.04 0.04 0.39 0.00 -3.33 0.00 0.00 175.10 172.24 2dls s ALA 80 N 0.78 3.48 0.16 1.54 0.00 -1.26 -2.65 121.76 123.81 2dls s ALA 80 Ca -0.05 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.75 2dls s ALA 80 Cb -0.07 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2dls s ALA 80 CO -0.05 -1.16 -0.03 -0.51 0.00 0.00 0.00 175.76 174.02 2dls s LEU 81 N 2.08 3.24 -0.48 0.00 1.43 -0.21 -0.59 118.68 124.15 2dls s LEU 81 Ca 0.13 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2dls s LEU 81 Cb -0.16 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.26 2dls s LEU 81 CO 0.12 0.11 0.29 -0.89 0.23 0.00 0.00 176.35 176.22 2dls s THR 82 N -1.61 3.51 0.31 5.49 2.01 -0.50 -1.96 115.64 122.89 2dls s THR 82 Ca 0.26 -2.32 -0.14 0.00 0.31 0.00 0.00 61.69 59.79 2dls s THR 82 Cb -0.10 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 2dls s THR 82 CO 0.17 -0.76 0.71 -0.76 -0.69 0.00 0.00 174.62 173.30 2dls s LEU 83 N 0.77 4.07 -0.15 4.42 1.43 -1.17 -2.17 118.68 125.89 2dls s LEU 83 Ca 0.11 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.40 2dls s LEU 83 Cb -0.22 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 2dls s LEU 83 CO -0.04 -0.19 0.00 -0.22 0.23 0.00 0.00 176.35 176.13 2dls s LEU 84 N -2.97 3.51 -1.15 1.79 1.98 -1.25 -2.19 118.68 118.40 2dls s LEU 84 Ca 0.53 0.01 -0.15 0.00 -2.89 0.00 0.00 54.13 51.63 2dls s LEU 84 Cb -0.10 -1.85 0.16 0.00 0.66 0.00 0.00 46.19 45.06 2dls s LEU 84 CO 0.18 0.22 1.37 -0.83 -1.89 0.00 0.00 176.35 175.41 2dls s GLY 85 N 0.04 2.33 -0.02 7.98 0.00 -0.69 -4.84 107.32 112.12 2dls s GLY 85 Ca 0.02 -3.26 -0.30 0.00 0.00 0.00 0.00 44.72 41.19 2dls s GLY 85 CO 0.02 2.04 1.41 -1.35 0.00 0.00 0.00 173.10 175.21 2dls s SER 86 N 2.97 6.85 -1.05 1.64 1.04 -1.26 -4.62 113.70 119.27 2dls s SER 86 Ca 0.41 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.79 2dls s SER 86 Cb -0.03 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.77 2dls s SER 86 CO -0.02 -0.74 1.09 -0.44 0.98 0.00 0.00 173.24 174.11 2dls s SER 87 N 2.02 7.09 -0.35 7.02 0.01 -1.26 -5.00 113.70 123.24 2dls s SER 87 Ca 0.64 -3.16 -0.10 0.00 1.31 0.00 0.00 55.95 54.64 2dls s SER 87 Cb -0.30 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.69 2dls s SER 87 CO 0.25 -0.49 0.17 -0.44 0.41 0.00 0.00 173.24 173.14 2dls s SER 88 N 1.96 5.61 0.00 2.44 0.01 -1.26 -4.98 113.70 117.47 2dls s SER 88 Ca 0.30 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2dls s SER 88 Cb -0.08 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2dls s SER 88 CO -0.07 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2dls n GLY 89 N 4.97 3.94 3.70 3.44 0.00 -1.26 -5.07 105.19 114.90 2dls n GLY 89 Ca -0.13 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2dls n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dls s PRO 90 N -4.35 4.29 0.20 1.61 0.04 -1.26 -5.03 135.00 130.50 2dls s PRO 90 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2dls s PRO 90 Cb 0.00 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2dls s PRO 90 CO 0.00 -0.54 -0.12 0.45 0.04 0.00 0.00 177.00 176.83 2dls s SER 91 N 1.66 2.39 -0.34 6.66 0.15 -1.26 -5.09 113.70 117.87 2dls s SER 91 Ca 0.65 -1.05 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 2dls s SER 91 Cb -0.34 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2dls s SER 91 CO 0.28 -0.24 1.68 -0.94 1.20 0.00 0.00 173.24 175.23 2dls s SER 92 N -3.30 6.06 0.00 5.45 1.04 -1.26 -5.29 113.70 116.40 2dls s SER 92 Ca 0.22 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.88 2dls s SER 92 Cb 0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dls s SER 92 CO 0.06 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.30