#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 -0.20 0.85 1.61 0.01 -1.26 -5.17 113.70 109.55 2dls s SER 2 Ca 0.00 -0.71 -0.11 0.00 1.31 0.00 0.00 55.95 56.43 2dls s SER 2 Cb 0.00 0.73 0.10 0.00 0.21 0.00 0.00 66.02 67.06 2dls s SER 2 CO 0.00 -1.37 1.09 -0.44 0.41 0.00 0.00 173.24 172.94 2dls s SER 3 N -2.95 3.89 0.00 2.44 0.01 -1.26 -4.61 113.70 111.22 2dls s SER 3 Ca 0.13 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2dls s SER 3 Cb -0.05 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2dls s SER 3 CO 0.08 -2.37 0.00 0.61 0.41 0.00 0.00 173.24 171.97 2dls n GLY 4 N -1.48 2.05 3.45 3.44 0.00 -1.26 -5.08 105.19 106.31 2dls n GLY 4 Ca 0.07 -0.70 -0.50 0.00 0.00 0.00 0.00 46.02 44.89 2dls n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dls n SER 5 N 0.00 -0.62 0.12 1.61 3.41 -1.26 -4.86 113.62 112.01 2dls n SER 5 Ca 0.00 1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.62 2dls n SER 5 Cb 0.00 -0.99 -0.07 0.00 -0.26 0.00 0.00 64.21 62.90 2dls n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dls h SER 6 N 1.66 -0.28 -0.75 4.04 0.87 -1.98 -3.45 113.55 113.67 2dls h SER 6 Ca -0.35 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2dls h SER 6 Cb 1.42 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2dls h SER 6 CO 0.60 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.34 2dls n GLY 7 N -1.22 2.54 2.83 5.77 0.00 -1.26 -5.14 105.19 108.72 2dls n GLY 7 Ca -0.08 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 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 2.45 -0.28 -0.02 1.61 1.01 -1.26 -5.05 120.40 118.86 2dls s VAL 8 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.28 2dls s VAL 8 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2dls s VAL 8 CO 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 175.10 174.98 2dls s GLN 9 N 2.31 2.27 0.34 2.72 -2.07 -1.26 -1.41 119.66 122.56 2dls s GLN 9 Ca 0.03 -0.84 0.08 0.00 -1.82 0.00 0.00 55.36 52.82 2dls s GLN 9 Cb -0.13 -2.23 -0.07 0.00 -1.09 0.00 0.00 33.01 29.50 2dls s GLN 9 CO -0.07 0.58 -0.07 -0.98 -1.32 0.00 0.00 175.29 173.43 2dls s ARG 10 N -0.89 1.79 -0.17 9.60 1.70 -0.42 -4.98 118.95 125.58 2dls s ARG 10 Ca 0.12 -1.94 -0.04 0.00 -0.47 0.00 0.00 55.73 53.40 2dls s ARG 10 Cb -0.10 -1.58 -0.03 0.00 -0.57 0.00 0.00 34.95 32.67 2dls s ARG 10 CO 0.01 0.08 -0.02 0.00 -1.08 0.00 0.00 175.30 174.29 2dls s VAL 12 N 0.58 1.68 -0.04 0.00 0.11 -0.32 -5.00 120.40 117.41 2dls s VAL 12 Ca -0.02 -1.40 0.06 0.00 -2.93 0.00 0.00 61.98 57.70 2dls s VAL 12 Cb -0.14 -1.50 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 2dls s VAL 12 CO 0.02 0.04 -0.24 -0.63 -3.33 0.00 0.00 175.10 170.97 2dls s ILE 13 N -1.02 1.93 -0.04 7.04 1.01 -1.26 -1.11 121.20 127.75 2dls s ILE 13 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2dls s ILE 13 Cb -0.09 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.78 2dls s ILE 13 CO 0.03 0.54 -0.01 -0.63 0.00 0.00 0.00 174.94 174.87 2dls s ILE 14 N -0.27 0.32 0.13 2.92 1.01 -1.21 -4.86 121.20 119.23 2dls s ILE 14 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2dls s ILE 14 Cb -0.12 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2dls s ILE 14 CO 0.02 0.19 0.22 0.00 0.00 0.00 0.00 174.94 175.37 2dls s GLN 15 N 1.16 3.29 0.44 2.79 0.00 -1.26 -1.83 119.66 124.25 2dls s GLN 15 Ca -0.08 -0.63 -0.24 0.00 -0.00 0.00 0.00 55.36 54.42 2dls s GLN 15 Cb -0.14 -2.90 -0.08 0.00 0.00 0.00 0.00 33.01 29.90 2dls s GLN 15 CO -0.02 0.54 1.23 0.15 0.00 0.00 0.00 175.29 177.19 2dls s LYS 16 N -3.00 3.81 0.32 9.60 1.02 -0.42 -4.74 119.74 126.34 2dls s LYS 16 Ca 0.33 1.96 0.03 0.00 0.02 0.00 0.00 55.97 58.31 2dls s LYS 16 Cb -0.11 -2.55 0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2dls s LYS 16 CO 0.27 -0.56 0.26 -0.25 -0.92 0.00 0.00 175.35 174.15 2dls n ASP 17 N -0.24 1.96 -0.61 2.83 8.00 -0.99 -4.79 116.55 122.71 2dls n ASP 17 Ca 0.06 -2.09 0.47 0.00 0.71 0.00 0.00 54.79 53.94 2dls n ASP 17 Cb 0.46 -0.04 0.73 0.00 -0.02 0.00 0.00 41.12 42.25 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2dls n GLN 18 N -1.29 -0.01 -0.02 -1.24 7.27 -1.26 0.40 117.38 121.23 2dls n GLN 18 Ca -0.00 1.05 -0.00 0.00 0.07 0.00 0.00 57.00 58.11 2dls n GLN 18 Cb 0.36 -2.32 -0.06 0.00 2.41 0.00 0.00 30.24 30.64 2dls n GLN 18 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2dls n HIS 19 N -3.98 0.00 0.00 3.69 8.25 -1.26 -5.13 115.22 116.79 2dls n HIS 19 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2dls n HIS 19 Cb 1.78 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 32.63 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 2.35 0.45 3.61 -1.41 0.00 0.16 -5.00 105.19 105.35 2dls n GLY 20 Ca -0.07 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.06 2.28 0.33 1.61 0.08 -1.26 -2.35 117.98 117.60 2dls s PHE 21 Ca 0.00 0.67 0.38 0.00 0.12 0.00 0.00 56.93 58.10 2dls s PHE 21 Cb 0.00 -4.16 1.88 0.00 -0.57 0.00 0.00 43.02 40.17 2dls s PHE 21 CO 0.00 -2.29 2.14 0.78 -0.10 0.00 0.00 175.22 175.75 2dls h GLY 22 N 12.21 0.00 -4.59 4.36 0.00 -1.94 -3.42 103.07 109.68 2dls h GLY 22 Ca -0.30 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.44 2dls h GLY 22 CO 1.05 0.00 -0.26 -0.11 0.00 0.00 0.00 176.54 177.22 2dls s PHE 23 N -3.88 3.58 0.27 5.60 -0.71 -1.26 -3.03 117.98 118.55 2dls s PHE 23 Ca -0.02 0.76 0.05 0.00 -1.04 0.00 0.00 56.93 56.68 2dls s PHE 23 Cb 0.11 -2.14 -0.06 0.00 -1.21 0.00 0.00 43.02 39.72 2dls s PHE 23 CO 0.43 0.52 -0.03 0.95 -1.34 0.00 0.00 175.22 175.76 2dls s THR 24 N -1.40 1.41 0.19 -4.49 -4.23 -0.98 -5.00 115.64 101.15 2dls s THR 24 Ca 0.33 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2dls s THR 24 Cb -0.14 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 2dls s THR 24 CO 0.18 -0.27 0.04 0.68 -0.54 0.00 0.00 174.62 174.72 2dls s VAL 25 N -3.16 0.53 -0.30 2.29 -7.23 -1.26 -0.02 120.40 111.25 2dls s VAL 25 Ca 0.30 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2dls s VAL 25 Cb 0.05 -2.28 0.15 0.00 0.56 0.00 0.00 36.38 34.86 2dls s VAL 25 CO 0.11 -0.31 0.90 -0.94 -0.31 0.00 0.00 175.10 174.55 2dls s SER 26 N -3.20 -0.69 0.00 4.85 1.04 -1.25 -4.79 113.70 109.66 2dls s SER 26 Ca 0.29 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2dls s SER 26 Cb 0.07 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.82 2dls s SER 26 CO 0.07 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2dls n GLY 27 N 4.65 -0.25 0.55 7.32 0.00 -1.26 -4.21 105.19 111.99 2dls n GLY 27 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2dls n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dls n ASP 28 N 0.00 1.50 -0.07 1.61 5.68 -1.26 -2.56 116.55 121.45 2dls n ASP 28 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 2dls n ASP 28 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 2dls n ASP 28 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2dls n ARG 29 N -2.39 0.73 -3.92 0.11 0.63 -1.26 -3.63 116.66 106.92 2dls n ARG 29 Ca 0.00 0.07 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 2dls n ARG 29 Cb 0.31 -1.30 -0.14 0.00 0.45 0.00 0.00 32.46 31.78 2dls n ARG 29 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2dls s ILE 30 N -2.30 2.28 0.02 5.15 -1.09 -1.26 -4.79 121.20 119.22 2dls s ILE 30 Ca -0.17 -2.92 -0.30 0.00 -2.23 0.00 0.00 60.65 55.03 2dls s ILE 30 Cb 0.05 -2.62 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 2dls s ILE 30 CO 0.37 -0.76 1.19 -0.69 -1.23 0.00 0.00 174.94 173.82 2dls s VAL 31 N 0.14 4.14 -0.05 2.92 1.01 -1.26 -4.71 120.40 122.59 2dls s VAL 31 Ca 0.15 1.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.64 2dls s VAL 31 Cb -0.24 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2dls s VAL 31 CO -0.03 0.08 0.10 -0.76 0.00 0.00 0.00 175.10 174.50 2dls s LEU 32 N 1.43 0.79 -0.56 3.92 1.43 -1.26 -3.81 118.68 120.61 2dls s LEU 32 Ca 0.58 0.21 -0.36 0.00 -1.03 0.00 0.00 54.13 53.53 2dls s LEU 32 Cb -0.28 0.20 -0.15 0.00 0.03 0.00 0.00 46.19 45.98 2dls s LEU 32 CO 0.27 -0.15 2.32 0.52 0.23 0.00 0.00 176.35 179.54 2dls n VAL 33 N 4.28 0.06 0.34 -1.59 0.31 -0.79 -3.87 118.33 117.07 2dls n VAL 33 Ca -0.25 -0.19 -0.18 0.00 -0.01 0.00 0.00 64.34 63.71 2dls n VAL 33 Cb 0.51 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 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 12.18 -0.89 -4.38 5.55 5.75 -0.75 -3.30 115.11 129.28 2dls h GLN 34 Ca -0.17 0.06 -0.19 0.00 -0.15 0.00 0.00 58.65 58.20 2dls h GLN 34 Cb 1.34 0.20 -0.14 0.00 1.07 0.00 0.00 27.48 29.95 2dls h GLN 34 CO 1.14 -0.60 -0.55 -1.12 -2.65 0.00 0.00 178.83 175.05 2dls s SER 35 N -4.40 0.17 -0.20 -0.69 0.01 -1.23 -4.87 113.70 102.48 2dls s SER 35 Ca -0.18 -1.23 -0.04 0.00 1.31 0.00 0.00 55.95 55.81 2dls s SER 35 Cb 0.04 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.75 2dls s SER 35 CO 0.62 -0.84 0.25 -0.69 0.41 0.00 0.00 173.24 172.99 2dls s VAL 36 N -4.09 -0.37 0.20 3.43 1.01 -1.26 -2.31 120.40 117.02 2dls s VAL 36 Ca 0.30 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2dls s VAL 36 Cb 0.06 -0.69 -0.16 0.00 0.00 0.00 0.00 36.38 35.60 2dls s VAL 36 CO 0.07 -0.18 0.45 -1.14 0.00 0.00 0.00 175.10 174.30 2dls n ARG 37 N 5.33 0.00 0.00 2.72 0.63 -1.17 -4.77 116.66 119.40 2dls n ARG 37 Ca -0.05 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 56.95 2dls n ARG 37 Cb 0.50 -0.93 0.39 0.00 0.45 0.00 0.00 32.46 32.86 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2dls n PRO 38 N 0.96 0.26 -2.34 -0.14 -0.04 -1.26 -3.62 135.00 128.82 2dls n PRO 38 Ca 0.16 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2dls n PRO 38 Cb 0.25 -1.50 0.09 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 -0.03 1.35 0.00 0.55 0.00 -1.26 -5.03 105.19 100.77 2dls n GLY 39 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.16 1.30 0.13 -0.02 0.00 -1.24 -4.98 105.19 99.21 2dls n GLY 40 Ca -0.15 -1.88 0.06 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.29 0.64 0.09 4.61 0.00 -1.86 -3.30 119.26 118.15 2dls h ALA 41 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2dls h ALA 41 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dls h ALA 41 CO 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.61 2dls h ALA 42 N 1.73 -0.12 -0.04 0.00 0.00 -1.92 -2.77 119.26 116.14 2dls h ALA 42 Ca -0.05 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2dls h ALA 42 Cb 1.25 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2dls h ALA 42 CO 0.03 -0.21 -0.31 1.98 0.00 0.00 0.00 179.25 180.74 2dls h MET 43 N -0.84 -0.42 -0.41 0.00 -1.53 -1.73 -0.08 114.93 109.92 2dls h MET 43 Ca -0.01 0.03 0.10 0.00 -3.44 0.00 0.00 59.70 56.38 2dls h MET 43 Cb 0.59 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.71 2dls h MET 43 CO 0.02 -0.28 0.29 1.57 0.14 0.00 0.00 176.91 178.65 2dls h LYS 44 N -0.43 0.10 0.00 0.39 2.10 -1.69 0.80 116.57 117.84 2dls h LYS 44 Ca 0.07 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.60 2dls h LYS 44 Cb 0.54 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 2dls h LYS 44 CO -0.28 0.07 -0.54 0.00 -2.00 0.00 0.00 179.45 176.70 2dls h ALA 45 N 1.79 0.99 0.00 0.07 0.00 -0.76 -3.47 119.26 117.88 2dls h ALA 45 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dls h ALA 45 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dls h ALA 45 CO -0.02 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2dls n GLY 46 N 0.23 0.94 3.18 0.00 0.00 0.27 -4.88 105.19 104.93 2dls n GLY 46 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.37 1.61 0.26 1.61 1.01 -0.94 -5.01 120.40 117.58 2dls s VAL 47 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2dls s VAL 47 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2dls s VAL 47 CO 0.00 0.46 0.13 -1.59 0.00 0.00 0.00 175.10 174.10 2dls s LYS 48 N -0.12 1.44 0.54 2.72 -2.85 -1.26 -4.12 119.74 116.09 2dls s LYS 48 Ca -0.01 -1.80 -0.21 0.00 -1.00 0.00 0.00 55.97 52.95 2dls s LYS 48 Cb -0.11 -0.06 -0.05 0.00 -2.06 0.00 0.00 37.83 35.55 2dls s LYS 48 CO 0.02 -0.39 1.27 -1.21 0.10 0.00 0.00 175.35 175.14 2dls s GLU 49 N -3.96 3.23 0.00 1.78 2.02 -1.26 -3.44 118.70 117.07 2dls s GLU 49 Ca 0.37 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.37 2dls s GLU 49 Cb 0.06 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2dls s GLU 49 CO 0.15 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 174.79 2dls n GLY 50 N 0.61 0.66 3.70 -1.39 0.00 -1.24 -5.03 105.19 102.50 2dls n GLY 50 Ca 0.11 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 2dls n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dls s ASP 51 N -2.69 5.97 -0.28 1.61 1.01 -1.22 -4.95 116.67 116.12 2dls s ASP 51 Ca 0.00 0.18 -0.07 0.00 0.71 0.00 0.00 52.55 53.37 2dls s ASP 51 Cb 0.00 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 2dls s ASP 51 CO 0.00 0.19 0.07 -0.60 0.21 0.00 0.00 175.17 175.04 2dls s ARG 52 N 0.29 3.32 0.05 8.23 3.52 -1.26 -1.89 118.95 131.21 2dls s ARG 52 Ca 0.06 -0.70 -0.28 0.00 -0.13 0.00 0.00 55.73 54.68 2dls s ARG 52 Cb -0.12 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2dls s ARG 52 CO -0.01 -0.34 0.89 0.42 -0.81 0.00 0.00 175.30 175.45 2dls s ILE 53 N 1.54 4.69 -0.23 4.11 1.01 -1.25 -3.94 121.20 127.14 2dls s ILE 53 Ca 0.04 1.89 -0.10 0.00 0.00 0.00 0.00 60.65 62.49 2dls s ILE 53 Cb -0.16 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 37.96 2dls s ILE 53 CO 0.03 0.29 -0.28 -0.38 0.00 0.00 0.00 174.94 174.60 2dls n ILE 54 N 3.10 1.27 -4.41 2.92 5.41 -0.49 -4.70 119.36 122.46 2dls n ILE 54 Ca 0.01 -0.35 -0.29 0.00 1.00 0.00 0.00 62.75 63.12 2dls n ILE 54 Cb 0.50 -1.73 -0.12 0.00 -0.71 0.00 0.00 39.64 37.58 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 -2.43 1.69 -0.22 0.38 2.47 -1.26 -0.55 119.74 119.83 2dls s LYS 55 Ca -0.32 -1.21 -0.04 0.00 -1.56 0.00 0.00 55.97 52.84 2dls s LYS 55 Cb 0.12 -2.04 0.08 0.00 -1.46 0.00 0.00 37.83 34.53 2dls s LYS 55 CO 0.42 0.48 0.15 0.08 0.16 0.00 0.00 175.35 176.64 2dls s VAL 56 N -1.07 -0.18 -1.70 4.02 1.01 -0.90 -2.32 120.40 119.26 2dls s VAL 56 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2dls s VAL 56 Cb -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2dls s VAL 56 CO 0.08 -0.37 0.00 0.59 0.00 0.00 0.00 175.10 175.40 2dls n ASN 57 N 5.29 -5.32 0.00 3.32 3.02 -0.97 -1.18 115.26 119.42 2dls n ASN 57 Ca -0.06 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2dls n ASN 57 Cb 0.47 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dls n GLY 58 N -0.92 1.13 3.31 7.41 0.00 -1.26 -5.01 105.19 109.85 2dls n GLY 58 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.40 4.81 0.15 2.61 2.01 -0.33 -5.05 115.64 117.44 2dls s THR 59 Ca 0.00 -1.36 -0.34 0.00 0.31 0.00 0.00 61.69 60.30 2dls s THR 59 Cb 0.00 -3.98 -0.15 0.00 0.01 0.00 0.00 72.50 68.38 2dls s THR 59 CO 0.00 -0.65 1.47 1.15 -0.69 0.00 0.00 174.62 175.90 2dls n MET 60 N 5.09 1.79 -0.54 4.92 0.00 -1.26 -2.12 117.12 125.00 2dls n MET 60 Ca -0.11 0.65 0.04 0.00 0.00 0.00 0.00 57.70 58.27 2dls n MET 60 Cb 0.42 -2.35 0.20 0.00 0.00 0.00 0.00 33.22 31.49 2dls n MET 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2dls n VAL 61 N 2.92 2.27 0.28 3.17 0.24 0.29 -4.78 118.33 122.72 2dls n VAL 61 Ca 0.17 -2.71 -0.14 0.00 -2.04 0.00 0.00 64.34 59.62 2dls n VAL 61 Cb 0.26 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.29 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 0.90 0.00 -0.35 3.34 1.35 -1.83 -2.73 112.91 113.58 2dls h THR 62 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2dls h THR 62 Cb 1.28 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2dls h THR 62 CO 0.16 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.97 2dls n ASN 63 N -4.66 3.67 -4.96 5.36 6.94 -1.26 -4.82 115.26 115.53 2dls n ASN 63 Ca -0.10 -2.50 -0.22 0.00 -0.02 0.00 0.00 54.58 51.74 2dls n ASN 63 Cb 0.36 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 37.21 2dls n ASN 63 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2dls s SER 64 N -0.52 5.84 0.46 0.53 0.15 -1.03 -5.02 113.70 114.12 2dls s SER 64 Ca 0.32 0.18 0.08 0.00 0.70 0.00 0.00 55.95 57.23 2dls s SER 64 Cb 0.24 -1.45 0.03 0.00 -1.71 0.00 0.00 66.02 63.13 2dls s SER 64 CO 0.11 -0.66 0.63 -0.44 1.20 0.00 0.00 173.24 174.08 2dls s SER 65 N -4.21 5.50 0.07 5.45 0.01 -1.24 -4.48 113.70 114.80 2dls s SER 65 Ca 0.48 -0.54 -0.33 0.00 1.31 0.00 0.00 55.95 56.86 2dls s SER 65 Cb -0.10 -0.39 -0.17 0.00 0.21 0.00 0.00 66.02 65.58 2dls s SER 65 CO 0.36 -0.93 1.52 -0.74 0.41 0.00 0.00 173.24 173.86 2dls h HIS 66 N 0.51 -1.28 -0.85 2.43 2.76 -1.69 -2.17 115.15 114.85 2dls h HIS 66 Ca -0.37 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 57.90 2dls h HIS 66 Cb 1.28 0.49 -0.12 0.00 1.55 0.00 0.00 27.41 30.61 2dls h HIS 66 CO 0.41 -0.64 -0.53 -0.07 -1.30 0.00 0.00 177.93 175.79 2dls h LEU 67 N -1.00 -1.91 -0.41 0.26 3.38 -1.97 0.81 115.31 114.47 2dls h LEU 67 Ca -0.07 0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.27 2dls h LEU 67 Cb 0.84 0.86 -0.09 0.00 0.09 0.00 0.00 40.66 42.36 2dls h LEU 67 CO -0.01 -0.28 -0.39 -0.33 0.09 0.00 0.00 178.44 177.52 2dls h GLU 68 N -0.10 -0.29 -0.90 1.13 4.39 -1.94 0.52 114.58 117.40 2dls h GLU 68 Ca 0.18 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.04 2dls h GLU 68 Cb 0.49 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.12 2dls h GLU 68 CO -0.86 -0.19 0.51 0.28 -1.16 0.00 0.00 179.01 177.59 2dls h VAL 69 N -0.30 0.79 0.57 3.13 2.07 -0.37 -2.64 116.25 119.51 2dls h VAL 69 Ca 0.15 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2dls h VAL 69 Cb 0.57 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2dls h VAL 69 CO -0.57 0.14 -0.44 0.58 0.02 0.00 0.00 177.57 177.30 2dls h VAL 70 N 0.75 0.00 -1.18 2.57 2.07 0.13 -1.73 116.25 118.86 2dls h VAL 70 Ca 0.48 0.00 0.44 0.00 0.82 0.00 0.00 66.70 68.43 2dls h VAL 70 Cb 0.61 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.22 2dls h VAL 70 CO -0.33 0.00 0.70 0.11 0.02 0.00 0.00 177.57 178.08 2dls h LYS 71 N -0.97 0.03 -0.14 1.57 1.57 -0.95 1.89 116.57 119.57 2dls h LYS 71 Ca -0.08 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2dls h LYS 71 Cb 0.81 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2dls h LYS 71 CO 0.02 0.02 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.25 2dls h LEU 72 N 0.03 0.52 0.61 2.94 3.38 -1.25 -3.16 115.31 118.39 2dls h LEU 72 Ca 0.85 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.49 2dls h LEU 72 Cb 2.46 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 43.07 2dls h LEU 72 CO -0.61 1.01 -0.29 0.40 0.09 0.00 0.00 178.44 179.03 2dls h ILE 73 N 0.34 0.24 -0.61 1.22 2.04 0.38 -3.28 117.51 117.84 2dls h ILE 73 Ca -0.01 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2dls h ILE 73 Cb 1.15 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 2dls h ILE 73 CO 0.11 0.03 -0.52 0.11 0.00 0.00 0.00 178.15 177.88 2dls h LYS 74 N -1.07 -0.19 -5.21 2.37 1.57 -1.36 -3.35 116.57 109.34 2dls h LYS 74 Ca -0.08 0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 2dls h LYS 74 Cb 0.68 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 2dls h LYS 74 CO 0.14 -0.13 1.16 0.45 -0.57 0.00 0.00 179.45 180.50 2dls n SER 75 N -5.06 0.49 0.00 0.86 2.88 -1.19 -4.28 113.62 107.31 2dls n SER 75 Ca -0.01 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 2dls n SER 75 Cb 0.27 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2dls n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dls n GLY 76 N 6.20 2.84 0.32 0.46 0.00 -1.26 -4.88 105.19 108.87 2dls n GLY 76 Ca 0.56 -1.11 0.32 0.00 0.00 0.00 0.00 46.02 45.78 2dls n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls h ALA 77 N 0.00 2.18 -1.67 4.61 0.00 -1.86 -3.40 119.26 119.12 2dls h ALA 77 Ca 0.00 0.27 -0.60 0.00 0.00 0.00 0.00 54.91 54.57 2dls h ALA 77 Cb 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 2dls h ALA 77 CO 0.00 -0.96 -0.57 1.52 0.00 0.00 0.00 179.25 179.24 2dls s TYR 78 N -5.52 2.55 -0.07 0.00 -0.85 -1.26 -1.30 117.35 110.90 2dls s TYR 78 Ca -0.09 -0.61 -0.03 0.00 -0.52 0.00 0.00 57.07 55.82 2dls s TYR 78 Cb 0.34 -1.81 0.04 0.00 0.38 0.00 0.00 41.96 40.92 2dls s TYR 78 CO 0.78 0.36 0.15 0.54 -1.52 0.00 0.00 175.55 175.86 2dls s VAL 79 N -2.65 -0.16 -0.62 -3.49 0.11 -0.76 -4.96 120.40 107.87 2dls s VAL 79 Ca 0.37 0.27 -0.26 0.00 -2.93 0.00 0.00 61.98 59.44 2dls s VAL 79 Cb 0.07 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2dls s VAL 79 CO 0.20 0.11 1.10 0.00 -3.33 0.00 0.00 175.10 173.18 2dls s ALA 80 N 1.77 3.01 0.10 1.54 0.00 -1.26 -3.33 121.76 123.60 2dls s ALA 80 Ca -0.03 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2dls s ALA 80 Cb -0.12 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 2dls s ALA 80 CO -0.06 -2.73 0.24 -0.51 0.00 0.00 0.00 175.76 172.71 2dls s LEU 81 N 4.67 4.33 -0.32 0.00 1.43 -0.27 -2.28 118.68 126.25 2dls s LEU 81 Ca 0.34 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2dls s LEU 81 Cb -0.11 -2.92 0.08 0.00 0.03 0.00 0.00 46.19 43.27 2dls s LEU 81 CO 0.19 0.11 0.01 -0.89 0.23 0.00 0.00 176.35 176.01 2dls s THR 82 N -1.62 2.55 0.14 5.49 2.01 -0.98 -1.18 115.64 122.05 2dls s THR 82 Ca 0.35 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.46 2dls s THR 82 Cb -0.12 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 2dls s THR 82 CO 0.28 -0.33 0.32 -0.76 -0.69 0.00 0.00 174.62 173.45 2dls s LEU 83 N 1.08 4.29 -0.10 4.42 1.43 -0.97 -1.40 118.68 127.43 2dls s LEU 83 Ca 0.01 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 2dls s LEU 83 Cb -0.20 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.89 2dls s LEU 83 CO -0.05 0.06 -0.24 -0.22 0.23 0.00 0.00 176.35 176.13 2dls s LEU 84 N -2.88 2.11 -1.03 1.79 0.20 -1.25 -1.31 118.68 116.32 2dls s LEU 84 Ca 0.38 -0.55 -0.15 0.00 0.69 0.00 0.00 54.13 54.49 2dls s LEU 84 Cb -0.12 -1.42 0.17 0.00 -0.43 0.00 0.00 46.19 44.40 2dls s LEU 84 CO 0.27 0.16 1.18 -0.83 -0.29 0.00 0.00 176.35 176.84 2dls s GLY 85 N 0.34 2.34 -0.75 7.98 0.00 -0.50 -4.80 107.32 111.94 2dls s GLY 85 Ca -0.19 -3.17 -0.20 0.00 0.00 0.00 0.00 44.72 41.17 2dls s GLY 85 CO 0.09 1.84 0.93 -0.45 0.00 0.00 0.00 173.10 175.51 2dls s SER 86 N 2.89 6.38 0.22 1.64 0.15 -1.26 -4.44 113.70 119.28 2dls s SER 86 Ca 0.34 -1.61 -0.21 0.00 0.70 0.00 0.00 55.95 55.17 2dls s SER 86 Cb -0.05 -2.36 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 2dls s SER 86 CO -0.06 -1.15 0.75 -0.55 1.20 0.00 0.00 173.24 173.42 2dls s SER 87 N 3.54 7.12 0.16 5.45 0.15 -1.26 -5.06 113.70 123.80 2dls s SER 87 Ca 0.22 1.48 -0.25 0.00 0.70 0.00 0.00 55.95 58.11 2dls s SER 87 Cb -0.14 -2.44 0.06 0.00 -1.71 0.00 0.00 66.02 61.79 2dls s SER 87 CO 0.01 0.04 0.96 -0.55 1.20 0.00 0.00 173.24 174.90 2dls s SER 88 N -1.59 -0.17 0.50 5.45 0.15 -1.26 -5.15 113.70 111.63 2dls s SER 88 Ca 0.43 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 56.43 2dls s SER 88 Cb -0.17 0.50 -0.10 0.00 -1.71 0.00 0.00 66.02 64.54 2dls s SER 88 CO 0.22 -0.93 0.69 0.61 1.20 0.00 0.00 173.24 175.03 2dls n GLY 89 N -0.48 -1.07 3.56 9.45 0.00 -1.26 -4.82 105.19 110.57 2dls n GLY 89 Ca -0.06 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.01 2.83 -0.00 1.61 0.04 -1.26 -4.89 135.00 131.32 2dls s PRO 90 Ca 0.67 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 2dls s PRO 90 Cb -0.51 -4.32 -0.11 0.00 0.04 0.00 0.00 34.50 29.60 2dls s PRO 90 CO 0.55 -2.48 0.90 1.03 0.04 0.00 0.00 177.00 177.04 2dls h SER 91 N 14.24 -0.61 -3.62 6.66 0.87 -2.07 -3.41 113.55 125.61 2dls h SER 91 Ca -0.28 0.02 -0.69 0.00 -1.23 0.00 0.00 61.79 59.61 2dls h SER 91 Cb 1.16 0.16 -0.32 0.00 -0.44 0.00 0.00 62.40 62.95 2dls h SER 91 CO 1.17 -0.26 -0.61 -0.94 -0.53 0.00 0.00 176.83 175.66 2dls s SER 92 N -4.35 5.16 0.00 6.23 1.04 -1.26 -5.32 113.70 115.19 2dls s SER 92 Ca -0.11 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 54.76 2dls s SER 92 Cb 0.01 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2dls s SER 92 CO 0.32 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.74