#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 6.27 0.15 1.61 0.15 -1.26 -4.98 113.70 115.65 2dls s SER 2 Ca 0.00 1.48 0.05 0.00 0.70 0.00 0.00 55.95 58.18 2dls s SER 2 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2dls s SER 2 CO 0.00 -1.37 -0.10 -0.94 1.20 0.00 0.00 173.24 172.03 2dls s SER 3 N 4.59 1.84 0.00 5.45 1.04 -1.26 -4.92 113.70 120.43 2dls s SER 3 Ca 0.72 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2dls s SER 3 Cb -0.23 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2dls s SER 3 CO 0.30 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2dls n GLY 4 N -0.21 1.97 0.18 7.32 0.00 -0.88 -4.85 105.19 108.72 2dls n GLY 4 Ca -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 2dls n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dls h SER 5 N 0.00 -0.82 -3.83 1.61 0.02 -2.03 -3.24 113.55 105.27 2dls h SER 5 Ca 0.00 0.11 -0.73 0.00 -0.84 0.00 0.00 61.79 60.34 2dls h SER 5 Cb 0.00 0.35 -0.33 0.00 0.14 0.00 0.00 62.40 62.56 2dls h SER 5 CO 0.00 -0.14 -0.12 -0.44 -1.14 0.00 0.00 176.83 174.99 2dls s SER 6 N -3.81 5.95 0.31 3.07 0.01 -1.26 -5.00 113.70 112.96 2dls s SER 6 Ca -0.06 -3.13 0.00 0.00 1.31 0.00 0.00 55.95 54.08 2dls s SER 6 Cb 0.04 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2dls s SER 6 CO 0.25 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2dls n GLY 7 N 3.20 -3.09 3.14 3.44 0.00 -1.22 -4.90 105.19 105.75 2dls n GLY 7 Ca 0.14 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.86 2.52 0.32 1.61 1.01 -1.26 -2.07 120.40 118.68 2dls s VAL 8 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.79 2dls s VAL 8 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2dls s VAL 8 CO 0.00 0.14 0.32 0.00 0.00 0.00 0.00 175.10 175.56 2dls s GLN 9 N 1.24 2.89 0.28 2.72 -2.07 -1.26 -2.74 119.66 120.72 2dls s GLN 9 Ca -0.03 -1.16 0.02 0.00 -1.82 0.00 0.00 55.36 52.37 2dls s GLN 9 Cb -0.18 -2.60 -0.03 0.00 -1.09 0.00 0.00 33.01 29.12 2dls s GLN 9 CO -0.06 0.15 0.27 1.03 -1.32 0.00 0.00 175.29 175.37 2dls s ARG 10 N -4.01 1.58 -0.17 9.60 0.52 -0.35 -4.93 118.95 121.19 2dls s ARG 10 Ca 0.40 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.82 2dls s ARG 10 Cb -0.07 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.76 2dls s ARG 10 CO 0.28 -0.58 -0.14 0.00 0.02 0.00 0.00 175.30 174.87 2dls s VAL 12 N 1.40 3.09 -0.10 0.00 0.11 0.83 -4.95 120.40 120.78 2dls s VAL 12 Ca 0.03 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2dls s VAL 12 Cb -0.14 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.48 2dls s VAL 12 CO -0.10 0.59 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.52 2dls s ILE 13 N -0.74 3.33 -0.04 7.04 1.01 -1.26 -0.74 121.20 129.80 2dls s ILE 13 Ca 0.11 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2dls s ILE 13 Cb -0.11 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2dls s ILE 13 CO 0.01 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 174.74 2dls s ILE 14 N -0.18 1.11 0.16 2.92 1.01 -1.08 -4.87 121.20 120.27 2dls s ILE 14 Ca 0.01 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.23 2dls s ILE 14 Cb -0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2dls s ILE 14 CO 0.03 0.34 -0.12 0.00 0.00 0.00 0.00 174.94 175.18 2dls s GLN 15 N 0.28 1.98 -0.16 2.79 0.00 -1.26 -0.66 119.66 122.62 2dls s GLN 15 Ca -0.07 -1.24 -0.29 0.00 -0.00 0.00 0.00 55.36 53.76 2dls s GLN 15 Cb -0.12 -2.15 -0.00 0.00 0.00 0.00 0.00 33.01 30.74 2dls s GLN 15 CO 0.02 0.45 1.02 -1.59 0.00 0.00 0.00 175.29 175.18 2dls s LYS 16 N -2.62 4.34 -0.26 9.60 -2.85 -0.66 -4.72 119.74 122.58 2dls s LYS 16 Ca 0.23 1.36 -0.06 0.00 -1.00 0.00 0.00 55.97 56.51 2dls s LYS 16 Cb -0.09 -3.59 -0.14 0.00 -2.06 0.00 0.00 37.83 31.95 2dls s LYS 16 CO 0.14 -0.46 -0.29 -0.25 0.10 0.00 0.00 175.35 174.59 2dls n ASP 17 N 5.62 1.97 -2.69 0.03 9.92 -1.26 -4.60 116.55 125.54 2dls n ASP 17 Ca 0.10 0.09 -0.33 0.00 -0.53 0.00 0.00 54.79 54.12 2dls n ASP 17 Cb 0.47 -0.60 0.02 0.00 -0.64 0.00 0.00 41.12 40.38 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2dls n GLN 18 N -3.72 3.10 -3.09 -1.24 -0.06 -1.26 -4.85 117.38 106.26 2dls n GLN 18 Ca -0.49 -4.02 -0.23 0.00 -2.00 0.00 0.00 57.00 50.26 2dls n GLN 18 Cb 0.93 -2.26 0.04 0.00 -4.06 0.00 0.00 30.24 24.89 2dls n GLN 18 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2dls n HIS 19 N -0.51 -2.03 0.00 3.69 8.25 -1.26 -4.90 115.22 118.46 2dls n HIS 19 Ca 0.46 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.48 2dls n HIS 19 Cb 0.45 -4.45 0.00 0.00 1.12 0.00 0.00 29.99 27.12 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 -1.54 3.98 2.34 -1.41 0.00 -1.26 -5.11 105.19 102.19 2dls n GLY 20 Ca -0.10 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2dls n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dls n PHE 21 N -1.05 -3.46 -2.42 1.61 3.72 -1.26 -4.28 117.46 110.32 2dls n PHE 21 Ca 0.00 -0.64 -0.14 0.00 -0.05 0.00 0.00 57.45 56.63 2dls n PHE 21 Cb 0.00 -0.83 0.03 0.00 -0.94 0.00 0.00 39.48 37.74 2dls n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dls n GLY 22 N -3.27 4.22 3.06 1.37 0.00 -1.26 -4.76 105.19 104.55 2dls n GLY 22 Ca 0.10 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.66 0.56 0.28 1.61 -0.12 -1.26 -0.02 117.98 115.38 2dls s PHE 23 Ca 0.40 -0.68 0.06 0.00 -0.05 0.00 0.00 56.93 56.66 2dls s PHE 23 Cb 0.38 -0.36 -0.06 0.00 -0.63 0.00 0.00 43.02 42.35 2dls s PHE 23 CO -0.01 -0.18 -0.05 0.95 -0.05 0.00 0.00 175.22 175.88 2dls s THR 24 N -2.26 1.63 0.08 -4.49 -4.23 -0.79 -4.99 115.64 100.59 2dls s THR 24 Ca -0.05 -2.12 -0.11 0.00 -1.18 0.00 0.00 61.69 58.23 2dls s THR 24 Cb -0.04 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2dls s THR 24 CO -0.03 -0.29 0.25 0.68 -0.54 0.00 0.00 174.62 174.69 2dls s VAL 25 N -3.02 0.11 -1.55 2.29 -7.23 -1.26 -1.04 120.40 108.70 2dls s VAL 25 Ca 0.30 -0.93 0.25 0.00 -1.81 0.00 0.00 61.98 59.78 2dls s VAL 25 Cb 0.04 -1.18 0.12 0.00 0.56 0.00 0.00 36.38 35.92 2dls s VAL 25 CO 0.12 -0.52 1.40 -0.24 -0.31 0.00 0.00 175.10 175.55 2dls n SER 26 N 0.12 1.05 -1.05 4.85 2.88 -1.18 -4.82 113.62 115.47 2dls n SER 26 Ca -0.16 -0.84 -0.07 0.00 -1.33 0.00 0.00 58.87 56.46 2dls n SER 26 Cb 0.62 0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 64.34 2dls n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dls n GLY 27 N 1.40 0.64 1.85 0.46 0.00 -1.26 -4.72 105.19 103.57 2dls n GLY 27 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2dls n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dls n ASP 28 N 0.31 -0.23 -0.17 1.61 8.00 -1.26 -2.69 116.55 122.12 2dls n ASP 28 Ca -0.07 -1.16 -0.04 0.00 0.71 0.00 0.00 54.79 54.23 2dls n ASP 28 Cb 0.25 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 2dls n ASP 28 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2dls n ARG 29 N -2.51 -0.18 -3.27 -1.24 0.63 -1.26 -1.84 116.66 106.99 2dls n ARG 29 Ca 0.08 0.88 -0.43 0.00 -0.92 0.00 0.00 57.85 57.46 2dls n ARG 29 Cb 0.28 -1.30 -0.01 0.00 0.45 0.00 0.00 32.46 31.88 2dls n ARG 29 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2dls n ILE 30 N -3.96 4.55 -0.89 5.15 0.13 -1.26 -1.48 119.36 121.61 2dls n ILE 30 Ca 0.01 -5.53 -0.33 0.00 -1.10 0.00 0.00 62.75 55.81 2dls n ILE 30 Cb 0.10 -2.38 -0.09 0.00 -0.84 0.00 0.00 39.64 36.43 2dls n ILE 30 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 2dls n VAL 31 N 2.13 0.00 -4.43 9.51 0.31 -0.77 -4.84 118.33 120.25 2dls n VAL 31 Ca 0.25 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.28 2dls n VAL 31 Cb 0.37 -0.32 -0.13 0.00 -0.91 0.00 0.00 33.84 32.85 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 4.83 2.32 -0.43 7.52 1.43 -1.26 -1.92 118.68 131.16 2dls s LEU 32 Ca 0.82 -0.73 -0.28 0.00 -1.03 0.00 0.00 54.13 52.91 2dls s LEU 32 Cb -0.89 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2dls s LEU 32 CO 0.37 0.19 1.77 -0.69 0.23 0.00 0.00 176.35 178.22 2dls s VAL 33 N -1.04 3.49 0.04 -1.59 1.01 -0.67 -3.12 120.40 118.51 2dls s VAL 33 Ca 0.14 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 2dls s VAL 33 Cb -0.10 -3.81 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 2dls s VAL 33 CO 0.06 -0.62 1.38 -0.61 0.00 0.00 0.00 175.10 175.30 2dls h GLN 34 N 13.30 -0.99 -4.37 2.72 4.15 -1.40 -2.91 115.11 125.61 2dls h GLN 34 Ca -0.30 0.07 -0.19 0.00 0.77 0.00 0.00 58.65 58.99 2dls h GLN 34 Cb 1.16 0.23 -0.14 0.00 0.21 0.00 0.00 27.48 28.93 2dls h GLN 34 CO 1.10 -0.64 -0.55 0.45 -1.93 0.00 0.00 178.83 177.26 2dls s SER 35 N -4.35 0.16 -0.20 -0.69 0.15 -1.25 -4.78 113.70 102.74 2dls s SER 35 Ca -0.17 -1.24 -0.04 0.00 0.70 0.00 0.00 55.95 55.21 2dls s SER 35 Cb 0.02 0.38 0.09 0.00 -1.71 0.00 0.00 66.02 64.81 2dls s SER 35 CO 0.53 -0.84 0.23 -0.69 1.20 0.00 0.00 173.24 173.66 2dls s VAL 36 N -4.09 -0.33 0.33 4.45 1.01 -1.26 -1.88 120.40 118.62 2dls s VAL 36 Ca 0.31 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 2dls s VAL 36 Cb 0.06 -0.69 -0.15 0.00 0.00 0.00 0.00 36.38 35.61 2dls s VAL 36 CO 0.07 -0.21 0.58 0.54 0.00 0.00 0.00 175.10 176.09 2dls n ARG 37 N 5.32 0.50 0.00 2.72 3.00 0.98 -4.80 116.66 124.38 2dls n ARG 37 Ca -0.05 0.18 0.07 0.00 -0.01 0.00 0.00 57.85 58.04 2dls n ARG 37 Cb 0.50 -1.37 0.37 0.00 0.00 0.00 0.00 32.46 31.96 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 0.83 0.21 -0.99 5.56 -0.04 -1.26 -3.25 135.00 136.06 2dls n PRO 38 Ca 0.13 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2dls n PRO 38 Cb 0.34 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.04 0.73 0.00 0.55 0.00 -1.26 -4.98 105.19 100.19 2dls n GLY 39 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.13 0.17 0.10 -0.02 0.00 -1.20 -4.98 105.19 99.40 2dls n GLY 40 Ca -0.10 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2dls n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls n ALA 41 N -3.00 1.43 0.03 4.61 0.00 -1.26 -4.16 120.51 118.17 2dls n ALA 41 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 53.44 52.29 2dls n ALA 41 Cb 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2dls n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dls h ALA 42 N 0.80 -0.15 -0.77 0.00 0.00 -1.88 -3.03 119.26 114.22 2dls h ALA 42 Ca -0.45 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 54.39 2dls h ALA 42 Cb 2.11 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.82 2dls h ALA 42 CO 0.04 -0.27 0.01 1.98 0.00 0.00 0.00 179.25 181.01 2dls h MET 43 N -0.79 0.10 -0.34 0.00 -1.53 -1.79 0.11 114.93 110.70 2dls h MET 43 Ca -0.02 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.26 2dls h MET 43 Cb 0.56 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.56 2dls h MET 43 CO 0.03 0.06 0.16 0.87 0.14 0.00 0.00 176.91 178.17 2dls h LYS 44 N 0.10 0.32 -0.00 0.39 1.57 -1.72 -0.97 116.57 116.26 2dls h LYS 44 Ca 0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2dls h LYS 44 Cb 0.76 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2dls h LYS 44 CO -0.68 0.21 0.01 0.00 -0.57 0.00 0.00 179.45 178.42 2dls h ALA 45 N 1.18 1.38 0.00 3.86 0.00 -0.69 -3.45 119.26 121.54 2dls h ALA 45 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dls h ALA 45 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dls h ALA 45 CO -0.11 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.54 2dls n GLY 46 N -1.26 1.25 3.79 0.00 0.00 -0.37 -4.99 105.19 103.61 2dls n GLY 46 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 4.57 0.21 1.61 1.01 -0.84 -4.99 120.40 119.97 2dls s VAL 47 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 2dls s VAL 47 Cb 0.00 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2dls s VAL 47 CO 0.00 0.06 0.48 -1.59 0.00 0.00 0.00 175.10 174.05 2dls s LYS 48 N -2.60 1.43 0.11 2.72 0.00 -1.26 -4.23 119.74 115.92 2dls s LYS 48 Ca 0.30 -1.06 -0.32 0.00 0.00 0.00 0.00 55.97 54.90 2dls s LYS 48 Cb -0.12 0.49 -0.11 0.00 0.00 0.00 0.00 37.83 38.09 2dls s LYS 48 CO 0.23 -0.60 1.83 0.39 0.00 0.00 0.00 175.35 177.20 2dls n GLU 49 N -0.34 2.72 0.00 1.78 4.71 -1.26 -2.58 120.64 125.67 2dls n GLU 49 Ca -0.06 0.99 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 2dls n GLU 49 Cb 0.62 -2.87 0.00 0.00 -1.01 0.00 0.00 31.44 28.18 2dls n GLU 49 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dls n GLY 50 N 4.19 1.25 3.56 0.62 0.00 -1.10 -5.02 105.19 108.69 2dls n GLY 50 Ca 0.18 -0.28 -0.59 0.00 0.00 0.00 0.00 46.02 45.33 2dls n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dls n ASP 51 N 0.00 0.52 -4.43 1.61 8.00 -1.06 -4.60 116.55 116.58 2dls n ASP 51 Ca 0.00 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.23 2dls n ASP 51 Cb 0.00 -0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 40.03 2dls n ASP 51 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2dls s ARG 52 N 0.67 2.92 -0.22 -1.24 3.52 -1.26 -1.67 118.95 121.67 2dls s ARG 52 Ca 0.92 -1.04 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 2dls s ARG 52 Cb -1.25 -3.90 -0.01 0.00 -1.56 0.00 0.00 34.95 28.23 2dls s ARG 52 CO 0.60 -0.74 0.87 0.42 -0.81 0.00 0.00 175.30 175.64 2dls s ILE 53 N 1.64 4.82 -0.16 4.11 1.01 -0.81 -3.69 121.20 128.12 2dls s ILE 53 Ca 0.04 1.68 -0.08 0.00 0.00 0.00 0.00 60.65 62.29 2dls s ILE 53 Cb -0.19 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 2dls s ILE 53 CO 0.09 -0.06 -0.21 -0.38 0.00 0.00 0.00 174.94 174.38 2dls n ILE 54 N 5.10 0.89 -4.39 2.92 5.41 -1.10 -4.48 119.36 123.71 2dls n ILE 54 Ca 0.06 -0.23 -0.25 0.00 1.00 0.00 0.00 62.75 63.34 2dls n ILE 54 Cb 0.48 -1.70 -0.09 0.00 -0.71 0.00 0.00 39.64 37.61 2dls n ILE 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2dls s LYS 55 N -2.30 1.87 -0.25 0.38 1.02 -1.26 -2.33 119.74 116.87 2dls s LYS 55 Ca -0.23 -1.57 -0.02 0.00 0.02 0.00 0.00 55.97 54.17 2dls s LYS 55 Cb 0.09 -1.94 0.12 0.00 -0.52 0.00 0.00 37.83 35.58 2dls s LYS 55 CO 0.29 0.36 0.31 0.08 -0.92 0.00 0.00 175.35 175.48 2dls s VAL 56 N -2.22 -0.47 -1.15 3.17 1.01 0.42 -1.78 120.40 119.38 2dls s VAL 56 Ca 0.28 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2dls s VAL 56 Cb -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2dls s VAL 56 CO 0.16 -0.25 1.00 0.59 0.00 0.00 0.00 175.10 176.60 2dls n ASN 57 N 5.34 -5.19 0.00 3.32 3.02 -0.06 -1.62 115.26 120.07 2dls n ASN 57 Ca -0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2dls n ASN 57 Cb 0.49 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.70 2.39 3.58 7.41 0.00 -1.26 -4.97 105.19 110.64 2dls n GLY 58 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.78 5.06 0.11 2.61 2.01 -0.64 -5.07 115.64 116.94 2dls s THR 59 Ca 0.00 0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 2dls s THR 59 Cb 0.00 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.06 2dls s THR 59 CO 0.00 0.31 1.30 -0.32 -0.69 0.00 0.00 174.62 175.22 2dls s MET 60 N 1.48 4.38 -0.23 4.92 1.75 -1.26 -0.44 119.30 129.90 2dls s MET 60 Ca 0.07 1.95 0.13 0.00 -1.25 0.00 0.00 55.69 56.59 2dls s MET 60 Cb -0.15 -3.28 0.45 0.00 2.84 0.00 0.00 34.83 34.70 2dls s MET 60 CO 0.07 -0.33 1.18 1.33 -0.65 0.00 0.00 175.02 176.62 2dls n VAL 61 N 3.72 1.94 -2.46 10.11 0.24 -0.99 -4.93 118.33 125.97 2dls n VAL 61 Ca 0.10 -3.37 -0.35 0.00 -2.04 0.00 0.00 64.34 58.68 2dls n VAL 61 Cb 0.44 -0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 2dls n VAL 61 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dls s THR 62 N -3.58 3.58 -1.66 3.34 -4.23 -1.24 -3.49 115.64 108.35 2dls s THR 62 Ca 0.41 1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 61.83 2dls s THR 62 Cb 0.38 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.89 2dls s THR 62 CO -0.03 -0.16 0.60 -0.46 -0.54 0.00 0.00 174.62 174.04 2dls n ASN 63 N -0.83 -2.04 -3.43 3.99 6.94 -0.55 -4.93 115.26 114.41 2dls n ASN 63 Ca 0.09 -1.08 -0.15 0.00 -0.02 0.00 0.00 54.58 53.42 2dls n ASN 63 Cb 0.51 -2.51 -0.02 0.00 -2.36 0.00 0.00 39.78 35.40 2dls n ASN 63 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2dls n SER 64 N -2.72 2.27 -3.80 0.53 7.64 -1.23 -4.92 113.62 111.40 2dls n SER 64 Ca -0.04 -2.06 -0.13 0.00 1.01 0.00 0.00 58.87 57.66 2dls n SER 64 Cb 0.55 0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.85 2dls n SER 64 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dls n SER 65 N -1.58 1.46 0.12 6.43 7.64 -1.25 -4.15 113.62 122.29 2dls n SER 65 Ca -0.05 -1.99 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 2dls n SER 65 Cb 0.33 -0.21 -0.15 0.00 -1.01 0.00 0.00 64.21 63.17 2dls n SER 65 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2dls h HIS 66 N 0.17 0.69 -0.30 1.43 2.76 -1.79 -3.28 115.15 114.83 2dls h HIS 66 Ca -0.18 -0.50 0.07 0.00 -2.20 0.00 0.00 60.37 57.56 2dls h HIS 66 Cb 0.77 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 2dls h HIS 66 CO 0.00 1.41 -0.14 -0.07 -1.30 0.00 0.00 177.93 177.82 2dls h LEU 67 N 0.10 -0.49 0.12 0.26 -0.00 -1.96 -0.98 115.31 112.36 2dls h LEU 67 Ca -0.20 0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2dls h LEU 67 Cb 2.06 0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 42.98 2dls h LEU 67 CO 0.23 -0.18 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.06 2dls h GLU 68 N -0.10 -0.20 -0.99 1.13 3.07 -1.99 -2.68 114.58 112.81 2dls h GLU 68 Ca 0.15 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.14 2dls h GLU 68 Cb 0.33 0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 28.16 2dls h GLU 68 CO -0.36 -0.14 -0.53 0.28 -1.40 0.00 0.00 179.01 176.86 2dls h VAL 69 N -0.21 0.00 -0.54 3.13 2.07 -1.60 -1.25 116.25 117.85 2dls h VAL 69 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2dls h VAL 69 Cb 0.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 2dls h VAL 69 CO -0.00 0.00 -0.33 0.58 0.02 0.00 0.00 177.57 177.84 2dls h VAL 70 N -0.00 0.00 -0.99 2.57 2.07 -1.12 0.44 116.25 119.22 2dls h VAL 70 Ca 0.21 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.02 2dls h VAL 70 Cb 0.47 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.05 2dls h VAL 70 CO -0.95 0.00 0.08 0.11 0.02 0.00 0.00 177.57 176.83 2dls h LYS 71 N -0.01 0.01 -0.33 1.57 1.57 -0.88 1.01 116.57 119.51 2dls h LYS 71 Ca 0.09 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 2dls h LYS 71 Cb 0.23 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2dls h LYS 71 CO -0.51 0.01 -0.42 -0.07 -0.57 0.00 0.00 179.45 177.88 2dls h LEU 72 N 0.01 0.88 -1.50 2.94 3.38 -0.12 -3.03 115.31 117.86 2dls h LEU 72 Ca 0.62 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2dls h LEU 72 Cb 1.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2dls h LEU 72 CO -0.90 1.18 0.28 0.40 0.09 0.00 0.00 178.44 179.49 2dls h ILE 73 N 0.66 1.13 -1.17 1.22 2.04 0.50 -3.07 117.51 118.82 2dls h ILE 73 Ca 0.05 -0.28 -0.74 0.00 1.00 0.00 0.00 64.86 64.89 2dls h ILE 73 Cb 0.99 0.48 -0.13 0.00 -0.74 0.00 0.00 36.82 37.42 2dls h ILE 73 CO 0.10 0.13 2.39 0.29 0.00 0.00 0.00 178.15 181.06 2dls n LYS 74 N -4.45 4.54 -4.15 2.37 5.02 0.03 -4.60 118.16 116.92 2dls n LYS 74 Ca 0.04 -3.47 -0.29 0.00 -2.02 0.00 0.00 58.31 52.57 2dls n LYS 74 Cb 0.07 -2.65 -0.17 0.00 -0.02 0.00 0.00 35.03 32.27 2dls n LYS 74 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2dls s SER 75 N 0.40 2.48 1.66 4.39 0.01 -1.16 -4.98 113.70 116.50 2dls s SER 75 Ca 0.53 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2dls s SER 75 Cb 0.18 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2dls s SER 75 CO -0.09 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dls n GLY 76 N 4.60 3.18 0.01 3.44 0.00 -1.26 -3.54 105.19 111.62 2dls n GLY 76 Ca -0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 11.50 2.03 -2.32 4.61 0.00 -1.26 -5.06 120.51 130.02 2dls n ALA 77 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 2dls n ALA 77 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 2dls n ALA 77 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2dls s TYR 78 N -2.14 1.59 -0.05 0.00 -0.85 -1.23 -1.65 117.35 113.02 2dls s TYR 78 Ca -0.01 -1.44 -0.01 0.00 -0.52 0.00 0.00 57.07 55.10 2dls s TYR 78 Cb 0.01 -0.81 0.03 0.00 0.38 0.00 0.00 41.96 41.58 2dls s TYR 78 CO 0.12 -0.60 0.01 0.54 -1.52 0.00 0.00 175.55 174.09 2dls s VAL 79 N -3.61 0.22 -0.62 -3.49 0.11 0.16 -4.54 120.40 108.63 2dls s VAL 79 Ca 0.36 0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.32 2dls s VAL 79 Cb 0.04 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.58 2dls s VAL 79 CO 0.19 0.20 1.01 0.00 -3.33 0.00 0.00 175.10 173.16 2dls s ALA 80 N 1.54 3.08 -0.10 1.54 0.00 -1.26 -2.65 121.76 123.91 2dls s ALA 80 Ca -0.02 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 2dls s ALA 80 Cb -0.13 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 2dls s ALA 80 CO -0.03 -2.67 0.00 -0.51 0.00 0.00 0.00 175.76 172.55 2dls s LEU 81 N 4.28 3.56 -0.59 0.00 1.43 0.09 -0.88 118.68 126.56 2dls s LEU 81 Ca 0.28 0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 53.30 2dls s LEU 81 Cb -0.13 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.35 2dls s LEU 81 CO 0.15 0.34 0.75 -0.89 0.23 0.00 0.00 176.35 176.93 2dls s THR 82 N -0.66 4.72 -0.17 5.49 2.01 -0.73 -0.12 115.64 126.18 2dls s THR 82 Ca 0.11 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 2dls s THR 82 Cb -0.12 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2dls s THR 82 CO 0.02 -1.15 0.03 -0.76 -0.69 0.00 0.00 174.62 172.07 2dls s LEU 83 N 2.97 3.62 0.39 4.42 1.43 -0.16 -2.73 118.68 128.63 2dls s LEU 83 Ca 0.14 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 2dls s LEU 83 Cb -0.22 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2dls s LEU 83 CO 0.08 0.19 0.24 -1.48 0.23 0.00 0.00 176.35 175.61 2dls s LEU 84 N 0.29 3.26 -0.34 1.79 0.05 -1.24 -1.21 118.68 121.28 2dls s LEU 84 Ca 0.01 -0.87 -0.36 0.00 0.05 0.00 0.00 54.13 52.96 2dls s LEU 84 Cb -0.13 -1.75 -0.12 0.00 -2.05 0.00 0.00 46.19 42.14 2dls s LEU 84 CO 0.01 -0.51 2.14 0.61 -0.55 0.00 0.00 176.35 178.05 2dls n GLY 85 N -1.33 0.52 0.06 -3.48 0.00 -1.11 -4.38 105.19 95.48 2dls n GLY 85 Ca -0.00 0.94 -0.02 0.00 0.00 0.00 0.00 46.02 46.94 2dls n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dls n SER 86 N 9.28 0.21 -4.74 1.61 2.88 -1.26 -4.96 113.62 116.65 2dls n SER 86 Ca 0.40 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.53 2dls n SER 86 Cb 0.21 1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 65.00 2dls n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dls s SER 87 N -5.01 6.41 0.17 -3.46 0.15 -1.26 -4.99 113.70 105.70 2dls s SER 87 Ca -0.09 2.88 0.06 0.00 0.70 0.00 0.00 55.95 59.50 2dls s SER 87 Cb 0.09 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2dls s SER 87 CO 0.82 -0.91 -0.13 -0.44 1.20 0.00 0.00 173.24 173.79 2dls s SER 88 N 0.74 2.14 0.00 5.45 0.01 -1.26 -4.96 113.70 115.83 2dls s SER 88 Ca 0.67 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2dls s SER 88 Cb -0.48 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2dls s SER 88 CO 0.42 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2dls n GLY 89 N -0.15 1.72 0.00 3.44 0.00 -1.26 -4.92 105.19 104.02 2dls n GLY 89 Ca -0.10 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2dls n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dls n PRO 90 N 0.00 0.29 -1.68 1.61 -0.04 -1.26 -4.84 135.00 129.08 2dls n PRO 90 Ca 0.00 0.10 -0.60 0.00 -0.04 0.00 0.00 63.50 62.96 2dls n PRO 90 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2dls n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dls n SER 91 N -1.20 1.61 -4.71 3.54 3.41 -1.26 -4.84 113.62 110.17 2dls n SER 91 Ca 0.08 1.13 -0.39 0.00 -0.26 0.00 0.00 58.87 59.43 2dls n SER 91 Cb 0.10 -1.04 0.03 0.00 -0.26 0.00 0.00 64.21 63.04 2dls n SER 91 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dls n SER 92 N 4.01 2.46 0.00 4.04 3.41 -1.26 -5.23 113.62 121.04 2dls n SER 92 Ca 0.26 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 2dls n SER 92 Cb 0.08 -1.53 0.01 0.00 -0.26 0.00 0.00 64.21 62.51 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49