#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 -0.64 -0.05 1.61 0.15 -1.26 -5.16 113.70 108.35 2dls s SER 2 Ca 0.00 0.84 0.01 0.00 0.70 0.00 0.00 55.95 57.50 2dls s SER 2 Cb 0.00 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 65.08 2dls s SER 2 CO 0.00 -0.50 -0.06 -0.44 1.20 0.00 0.00 173.24 173.45 2dls s SER 3 N -0.79 1.19 0.00 5.45 0.01 -1.26 -5.14 113.70 113.16 2dls s SER 3 Ca -0.08 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2dls s SER 3 Cb -0.02 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2dls s SER 3 CO 0.07 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2dls n GLY 4 N 4.13 5.23 2.92 3.44 0.00 -1.26 -5.15 105.19 114.51 2dls n GLY 4 Ca -0.23 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.72 2dls n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dls s SER 5 N 0.47 0.63 -0.02 1.61 0.01 -1.26 -5.14 113.70 110.00 2dls s SER 5 Ca 0.00 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.30 2dls s SER 5 Cb 0.00 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 2dls s SER 5 CO 0.00 -0.27 0.84 -0.44 0.41 0.00 0.00 173.24 173.77 2dls s SER 6 N 2.41 7.19 0.00 2.44 0.01 -1.26 -4.89 113.70 119.60 2dls s SER 6 Ca 0.04 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2dls s SER 6 Cb -0.14 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2dls s SER 6 CO -0.11 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dls n GLY 7 N 2.93 -0.34 3.18 3.44 0.00 -1.26 -4.97 105.19 108.18 2dls n GLY 7 Ca 0.02 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 2dls n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dls s VAL 8 N -2.05 2.15 0.06 1.61 0.11 -1.26 -5.02 120.40 116.00 2dls s VAL 8 Ca 0.00 -0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 57.97 2dls s VAL 8 Cb 0.00 -1.87 -0.06 0.00 -1.53 0.00 0.00 36.38 32.92 2dls s VAL 8 CO 0.00 0.54 0.45 0.00 -3.33 0.00 0.00 175.10 172.76 2dls s GLN 9 N 0.87 3.92 0.11 1.54 -2.07 -1.26 -3.98 119.66 118.77 2dls s GLN 9 Ca -0.05 0.40 0.09 0.00 -1.82 0.00 0.00 55.36 53.98 2dls s GLN 9 Cb -0.15 -3.11 -0.04 0.00 -1.09 0.00 0.00 33.01 28.63 2dls s GLN 9 CO -0.03 0.61 -0.24 0.50 -1.32 0.00 0.00 175.29 174.81 2dls s ARG 10 N -1.48 1.32 -0.26 9.60 3.52 0.45 -4.96 118.95 127.14 2dls s ARG 10 Ca 0.29 -1.22 -0.15 0.00 -0.13 0.00 0.00 55.73 54.52 2dls s ARG 10 Cb -0.16 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 2dls s ARG 10 CO 0.16 0.40 0.37 0.00 -0.81 0.00 0.00 175.30 175.42 2dls s VAL 12 N 1.92 2.20 -0.19 0.00 0.11 0.72 -4.95 120.40 120.21 2dls s VAL 12 Ca 0.15 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2dls s VAL 12 Cb -0.16 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 32.91 2dls s VAL 12 CO 0.09 0.58 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.75 2dls s ILE 13 N -0.60 3.30 -0.23 7.04 1.01 -1.26 0.29 121.20 130.76 2dls s ILE 13 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 2dls s ILE 13 Cb -0.10 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2dls s ILE 13 CO -0.00 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 174.73 2dls s ILE 14 N 1.08 3.42 -0.15 2.92 1.01 -1.13 -4.82 121.20 123.53 2dls s ILE 14 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 2dls s ILE 14 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2dls s ILE 14 CO -0.01 0.39 0.20 0.00 0.00 0.00 0.00 174.94 175.52 2dls s GLN 15 N 1.48 3.93 0.38 2.79 0.00 -1.26 -3.34 119.66 123.65 2dls s GLN 15 Ca 0.05 -0.06 -0.27 0.00 -0.00 0.00 0.00 55.36 55.08 2dls s GLN 15 Cb -0.14 -3.33 -0.10 0.00 0.00 0.00 0.00 33.01 29.44 2dls s GLN 15 CO -0.03 0.48 1.43 -1.59 0.00 0.00 0.00 175.29 175.58 2dls s LYS 16 N -0.21 4.06 -0.23 9.60 -2.85 -1.25 -4.86 119.74 124.00 2dls s LYS 16 Ca 0.14 2.45 -0.12 0.00 -1.00 0.00 0.00 55.97 57.44 2dls s LYS 16 Cb -0.12 -2.91 -0.10 0.00 -2.06 0.00 0.00 37.83 32.64 2dls s LYS 16 CO 0.03 -0.52 -0.30 -3.47 0.10 0.00 0.00 175.35 171.18 2dls n ASP 17 N 0.37 1.66 -2.33 0.03 -0.08 -1.26 -4.65 116.55 110.29 2dls n ASP 17 Ca 0.02 0.29 -0.31 0.00 -1.51 0.00 0.00 54.79 53.27 2dls n ASP 17 Cb 0.40 -0.69 0.04 0.00 2.34 0.00 0.00 41.12 43.22 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2dls n GLN 18 N -4.07 3.11 -2.90 -0.67 -0.06 -1.26 -4.86 117.38 106.68 2dls n GLN 18 Ca -0.44 -3.78 -0.18 0.00 -2.00 0.00 0.00 57.00 50.60 2dls n GLN 18 Cb 0.81 -2.28 0.03 0.00 -4.06 0.00 0.00 30.24 24.74 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 -0.74 -1.60 0.00 3.69 8.25 -1.26 -4.96 115.22 118.60 2dls n HIS 19 Ca 0.52 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 2dls n HIS 19 Cb 0.70 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 28.02 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 -1.39 2.05 3.54 -1.41 0.00 -1.26 -5.11 105.19 101.61 2dls n GLY 20 Ca -0.08 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 1.11 -0.27 1.61 0.08 -1.26 -4.29 117.98 114.59 2dls s PHE 21 Ca 0.00 0.86 0.16 0.00 0.12 0.00 0.00 56.93 58.07 2dls s PHE 21 Cb 0.00 -3.20 0.49 0.00 -0.57 0.00 0.00 43.02 39.73 2dls s PHE 21 CO 0.00 -3.75 1.15 0.41 -0.10 0.00 0.00 175.22 172.92 2dls n GLY 22 N -0.13 3.81 2.83 4.36 0.00 -1.26 -4.96 105.19 109.85 2dls n GLY 22 Ca 0.07 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.62 0.24 0.15 1.61 -0.71 -1.26 -0.97 117.98 113.41 2dls s PHE 23 Ca 0.38 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.34 2dls s PHE 23 Cb 0.36 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2dls s PHE 23 CO -0.01 -0.09 0.03 0.95 -1.34 0.00 0.00 175.22 174.76 2dls s THR 24 N 0.74 3.96 0.13 -4.49 -4.23 -1.09 -5.03 115.64 105.63 2dls s THR 24 Ca -0.07 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 2dls s THR 24 Cb -0.10 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 2dls s THR 24 CO -0.01 -0.04 -0.11 0.68 -0.54 0.00 0.00 174.62 174.60 2dls s VAL 25 N -1.60 1.18 -0.07 2.29 -7.23 -1.26 -0.86 120.40 112.85 2dls s VAL 25 Ca 0.28 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2dls s VAL 25 Cb -0.10 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.17 2dls s VAL 25 CO 0.19 -0.64 0.31 -0.55 -0.31 0.00 0.00 175.10 174.10 2dls s SER 26 N -2.89 -0.25 0.00 4.85 0.15 0.49 -4.76 113.70 111.28 2dls s SER 26 Ca 0.13 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2dls s SER 26 Cb -0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2dls s SER 26 CO 0.01 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dls n GLY 27 N 2.14 4.12 0.10 9.45 0.00 -1.26 -0.72 105.19 119.02 2dls n GLY 27 Ca -0.17 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 1.86 -0.01 1.61 9.92 -1.26 -3.67 116.55 125.00 2dls n ASP 28 Ca 0.00 0.45 -0.01 0.00 -0.53 0.00 0.00 54.79 54.70 2dls n ASP 28 Cb 0.00 -0.95 -0.00 0.00 -0.64 0.00 0.00 41.12 39.53 2dls n ASP 28 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2dls n ARG 29 N -4.45 0.06 -2.83 -1.24 3.00 -1.26 -3.83 116.66 106.11 2dls n ARG 29 Ca -0.30 0.02 -0.44 0.00 -0.00 0.00 0.00 57.85 57.14 2dls n ARG 29 Cb 0.64 -0.47 0.00 0.00 0.00 0.00 0.00 32.46 32.63 2dls n ARG 29 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2dls n ILE 30 N -2.77 4.23 -1.47 5.15 0.13 -1.26 -4.50 119.36 118.86 2dls n ILE 30 Ca -0.02 -4.61 -0.46 0.00 -1.10 0.00 0.00 62.75 56.56 2dls n ILE 30 Cb 0.06 -2.44 -0.02 0.00 -0.84 0.00 0.00 39.64 36.39 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 4.63 1.94 -4.36 9.51 0.31 -1.26 -4.81 118.33 124.30 2dls n VAL 31 Ca 0.39 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 64.03 2dls n VAL 31 Cb 0.42 -0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 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 1.99 2.17 -0.46 7.52 1.43 0.10 -3.44 118.68 127.99 2dls s LEU 32 Ca 0.62 -1.25 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 2dls s LEU 32 Cb -0.81 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.14 2dls s LEU 32 CO 0.58 -0.53 0.80 -0.69 0.23 0.00 0.00 176.35 176.74 2dls s VAL 33 N -3.39 4.63 0.02 -1.59 1.01 -1.19 -0.38 120.40 119.51 2dls s VAL 33 Ca 0.30 0.42 -0.27 0.00 0.00 0.00 0.00 61.98 62.43 2dls s VAL 33 Cb 0.06 -4.34 -0.16 0.00 0.00 0.00 0.00 36.38 31.94 2dls s VAL 33 CO 0.10 -0.75 1.25 -0.61 0.00 0.00 0.00 175.10 175.10 2dls h GLN 34 N 9.00 -0.75 -3.38 2.72 4.15 -1.30 -3.17 115.11 122.38 2dls h GLN 34 Ca -0.25 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 2dls h GLN 34 Cb 1.08 0.17 -0.10 0.00 0.21 0.00 0.00 27.48 28.84 2dls h GLN 34 CO 0.97 -0.44 -0.02 0.45 -1.93 0.00 0.00 178.83 177.87 2dls s SER 35 N -4.64 -0.22 -0.24 -0.69 0.15 -1.22 -4.84 113.70 102.00 2dls s SER 35 Ca -0.15 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 55.96 2dls s SER 35 Cb 0.02 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 2dls s SER 35 CO 0.50 -1.03 0.01 -0.69 1.20 0.00 0.00 173.24 173.23 2dls s VAL 36 N -3.89 1.11 0.15 4.45 1.01 -1.26 -2.68 120.40 119.29 2dls s VAL 36 Ca 0.10 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 2dls s VAL 36 Cb -0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 36.38 34.69 2dls s VAL 36 CO -0.02 -0.26 0.40 -1.14 0.00 0.00 0.00 175.10 174.07 2dls n ARG 37 N 4.81 0.00 -2.05 2.72 0.63 -0.14 -4.68 116.66 117.95 2dls n ARG 37 Ca -0.09 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.58 2dls n ARG 37 Cb 0.45 -0.75 -0.05 0.00 0.45 0.00 0.00 32.46 32.55 2dls n ARG 37 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dls s PRO 38 N -0.74 2.55 0.00 -0.14 0.04 -1.26 -3.04 135.00 132.41 2dls s PRO 38 Ca 0.48 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2dls s PRO 38 Cb -0.70 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 28.75 2dls s PRO 38 CO 0.42 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.40 2dls n GLY 39 N 6.69 0.78 0.00 0.56 0.00 -1.26 -5.09 105.19 106.86 2dls n GLY 39 Ca 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.43 0.71 0.14 -0.02 0.00 -1.17 -5.01 105.19 99.40 2dls n GLY 40 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 1.16 -0.23 4.61 0.00 -1.26 -4.24 120.51 117.55 2dls n ALA 41 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 53.44 52.41 2dls n ALA 41 Cb 0.00 0.08 0.15 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.96 0.90 -0.32 0.00 0.00 -1.90 -1.68 119.26 115.30 2dls h ALA 42 Ca -0.66 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.42 2dls h ALA 42 Cb 1.58 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2dls h ALA 42 CO -0.40 -0.24 -0.08 1.98 0.00 0.00 0.00 179.25 180.51 2dls h MET 43 N 0.38 0.00 -0.92 0.00 -1.53 -1.79 -1.47 114.93 109.60 2dls h MET 43 Ca 0.36 -0.00 0.16 0.00 -3.44 0.00 0.00 59.70 56.78 2dls h MET 43 Cb 0.53 -0.00 -0.16 0.00 -0.55 0.00 0.00 31.60 31.42 2dls h MET 43 CO -0.39 0.00 -0.31 0.87 0.14 0.00 0.00 176.91 177.22 2dls h LYS 44 N 0.00 -0.02 -0.12 0.39 1.57 -1.48 0.82 116.57 117.73 2dls h LYS 44 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2dls h LYS 44 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2dls h LYS 44 CO -0.33 -0.01 -0.38 0.00 -0.57 0.00 0.00 179.45 178.16 2dls h ALA 45 N 1.58 1.13 0.00 3.86 0.00 -1.40 -3.47 119.26 120.97 2dls h ALA 45 Ca 0.38 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dls h ALA 45 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dls h ALA 45 CO -0.94 0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.29 2dls n GLY 46 N -0.25 0.81 3.36 0.00 0.00 0.28 -5.03 105.19 104.36 2dls n GLY 46 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.50 2.95 0.37 1.61 1.01 -0.88 -4.99 120.40 119.97 2dls s VAL 47 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2dls s VAL 47 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2dls s VAL 47 CO 0.00 0.53 0.17 -0.54 0.00 0.00 0.00 175.10 175.26 2dls s LYS 48 N 0.26 1.82 0.98 2.72 1.02 -1.26 -4.17 119.74 121.12 2dls s LYS 48 Ca -0.10 -2.08 -0.11 0.00 0.02 0.00 0.00 55.97 53.70 2dls s LYS 48 Cb -0.16 -0.29 0.18 0.00 -0.52 0.00 0.00 37.83 37.04 2dls s LYS 48 CO 0.06 -0.51 1.11 -1.21 -0.92 0.00 0.00 175.35 173.87 2dls s GLU 49 N -3.68 0.47 0.00 1.68 2.02 -1.26 -3.16 118.70 114.78 2dls s GLU 49 Ca 0.30 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.59 2dls s GLU 49 Cb 0.03 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.58 2dls s GLU 49 CO 0.18 -2.92 0.00 0.41 0.02 0.00 0.00 175.26 172.95 2dls n GLY 50 N 0.29 2.18 3.65 -1.39 0.00 -1.20 -4.96 105.19 103.75 2dls n GLY 50 Ca 0.09 -0.08 -0.60 0.00 0.00 0.00 0.00 46.02 45.43 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 1.16 1.35 -4.45 1.61 8.00 -1.19 -4.72 116.55 118.31 2dls n ASP 51 Ca 0.00 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.20 2dls n ASP 51 Cb 0.00 -1.02 -0.08 0.00 -0.02 0.00 0.00 41.12 39.99 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 1.96 3.06 -0.04 -1.24 3.52 -1.22 -3.17 118.95 121.81 2dls s ARG 52 Ca 0.96 -0.96 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 2dls s ARG 52 Cb -1.22 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 28.10 2dls s ARG 52 CO 0.65 -0.95 1.22 0.42 -0.81 0.00 0.00 175.30 175.83 2dls s ILE 53 N 2.05 4.19 -0.14 4.11 1.01 -1.22 -1.28 121.20 129.92 2dls s ILE 53 Ca 0.10 1.53 -0.13 0.00 0.00 0.00 0.00 60.65 62.14 2dls s ILE 53 Cb -0.19 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 2dls s ILE 53 CO 0.11 0.01 -0.27 -0.38 0.00 0.00 0.00 174.94 174.41 2dls n ILE 54 N 4.55 1.38 -4.42 2.92 2.08 -0.16 -4.63 119.36 121.08 2dls n ILE 54 Ca 0.11 0.09 -0.26 0.00 0.56 0.00 0.00 62.75 63.24 2dls n ILE 54 Cb 0.46 -2.08 -0.11 0.00 -0.75 0.00 0.00 39.64 37.16 2dls n ILE 54 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2dls s LYS 55 N -2.63 1.61 -0.21 0.38 1.02 -1.25 -2.83 119.74 115.83 2dls s LYS 55 Ca -0.24 -1.55 -0.04 0.00 0.02 0.00 0.00 55.97 54.16 2dls s LYS 55 Cb 0.05 -1.86 0.07 0.00 -0.52 0.00 0.00 37.83 35.57 2dls s LYS 55 CO 0.34 0.39 0.07 0.08 -0.92 0.00 0.00 175.35 175.31 2dls s VAL 56 N -1.85 0.26 -1.57 3.17 1.01 0.51 -1.75 120.40 120.19 2dls s VAL 56 Ca 0.23 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2dls s VAL 56 Cb -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2dls s VAL 56 CO 0.11 -0.34 0.10 -3.20 0.00 0.00 0.00 175.10 171.78 2dls n ASN 57 N 5.14 -5.47 0.00 3.32 2.85 -0.20 -1.93 115.26 118.96 2dls n ASN 57 Ca -0.07 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 2dls n ASN 57 Cb 0.47 -4.48 0.00 0.00 1.24 0.00 0.00 39.78 37.00 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dls n GLY 58 N -1.10 2.94 3.78 8.20 0.00 -1.26 -5.03 105.19 112.72 2dls n GLY 58 Ca -0.20 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.16 3.37 -0.52 2.61 2.01 -0.81 -5.00 115.64 115.14 2dls s THR 59 Ca 0.00 0.79 -0.17 0.00 0.31 0.00 0.00 61.69 62.62 2dls s THR 59 Cb 0.00 -3.30 0.09 0.00 0.01 0.00 0.00 72.50 69.31 2dls s THR 59 CO 0.00 -0.25 0.50 -0.04 -0.69 0.00 0.00 174.62 174.15 2dls s MET 60 N -3.51 3.01 -0.47 4.92 -1.94 -1.26 -0.36 119.30 119.69 2dls s MET 60 Ca 0.70 -1.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2dls s MET 60 Cb -0.21 -4.20 0.51 0.00 2.01 0.00 0.00 34.83 32.94 2dls s MET 60 CO 0.29 -1.22 1.89 1.33 -0.01 0.00 0.00 175.02 177.30 2dls n VAL 61 N 5.32 3.13 0.05 -6.03 0.24 -1.13 -4.46 118.33 115.45 2dls n VAL 61 Ca -0.12 -2.05 -0.08 0.00 -2.04 0.00 0.00 64.34 60.06 2dls n VAL 61 Cb 0.42 -0.80 0.08 0.00 -1.47 0.00 0.00 33.84 32.07 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 0.92 1.36 0.00 3.34 1.35 -1.85 -3.35 112.91 114.68 2dls h THR 62 Ca 0.55 -1.95 -0.37 0.00 -0.55 0.00 0.00 66.41 64.08 2dls h THR 62 Cb 1.92 1.95 -0.06 0.00 -1.73 0.00 0.00 68.15 70.22 2dls h THR 62 CO 1.14 0.59 -2.35 -0.46 -0.25 0.00 0.00 175.52 174.19 2dls n ASN 63 N -3.89 2.07 -4.33 5.36 6.94 -1.26 -4.23 115.26 115.92 2dls n ASN 63 Ca -0.03 -0.01 -0.38 0.00 -0.02 0.00 0.00 54.58 54.14 2dls n ASN 63 Cb 0.63 -0.47 0.03 0.00 -2.36 0.00 0.00 39.78 37.61 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 -3.44 -2.71 -4.89 0.53 7.64 -1.26 -4.70 113.62 104.79 2dls n SER 64 Ca -0.43 0.66 -0.28 0.00 1.01 0.00 0.00 58.87 59.82 2dls n SER 64 Cb 0.92 -0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2dls n SER 64 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dls s SER 65 N -1.09 6.33 0.27 6.43 1.04 -1.26 -4.61 113.70 120.81 2dls s SER 65 Ca 0.61 1.02 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 2dls s SER 65 Cb -0.45 -2.29 0.47 0.00 0.10 0.00 0.00 66.02 63.85 2dls s SER 65 CO 0.62 -0.55 1.59 -0.74 0.98 0.00 0.00 173.24 175.14 2dls h HIS 66 N 0.48 -0.33 -0.77 5.02 2.76 -1.66 0.60 115.15 121.25 2dls h HIS 66 Ca -0.47 0.07 0.08 0.00 -2.20 0.00 0.00 60.37 57.86 2dls h HIS 66 Cb 1.20 0.29 -0.07 0.00 1.55 0.00 0.00 27.41 30.38 2dls h HIS 66 CO 0.60 -0.37 0.43 1.25 -1.30 0.00 0.00 177.93 178.53 2dls h LEU 67 N 0.02 0.61 -1.81 0.26 5.85 -1.93 0.14 115.31 118.45 2dls h LEU 67 Ca 0.46 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.20 2dls h LEU 67 Cb 0.77 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2dls h LEU 67 CO -0.88 0.36 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.15 2dls h GLU 68 N 0.73 0.00 0.04 1.25 4.39 -0.21 -2.57 114.58 118.20 2dls h GLU 68 Ca 0.36 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.79 2dls h GLU 68 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2dls h GLU 68 CO -0.23 0.10 -1.42 0.28 -1.16 0.00 0.00 179.01 176.58 2dls h VAL 69 N 0.00 1.23 0.51 3.13 2.07 0.44 -3.35 116.25 120.27 2dls h VAL 69 Ca -0.00 -2.97 -0.02 0.00 0.82 0.00 0.00 66.70 64.53 2dls h VAL 69 Cb 0.41 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2dls h VAL 69 CO 0.01 0.76 -0.35 0.58 0.02 0.00 0.00 177.57 178.59 2dls h VAL 70 N 0.02 0.00 -1.28 2.57 2.07 -0.50 -1.03 116.25 118.10 2dls h VAL 70 Ca -0.18 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.72 2dls h VAL 70 Cb 1.93 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.60 2dls h VAL 70 CO 0.12 0.00 0.85 0.07 0.02 0.00 0.00 177.57 178.63 2dls h LYS 71 N -0.82 0.15 -0.06 1.57 2.10 -1.73 0.37 116.57 118.15 2dls h LYS 71 Ca -0.07 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2dls h LYS 71 Cb 0.67 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2dls h LYS 71 CO 0.04 0.10 -0.06 -0.07 -2.00 0.00 0.00 179.45 177.46 2dls h LEU 72 N 0.15 0.15 -0.09 7.07 3.38 -1.55 -3.22 115.31 121.19 2dls h LEU 72 Ca 0.73 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2dls h LEU 72 Cb 2.33 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 43.03 2dls h LEU 72 CO -0.29 0.60 0.05 0.40 0.09 0.00 0.00 178.44 179.29 2dls h ILE 73 N -0.31 1.10 -0.63 1.22 2.04 0.92 -3.05 117.51 118.80 2dls h ILE 73 Ca 0.01 -0.28 -0.46 0.00 1.00 0.00 0.00 64.86 65.13 2dls h ILE 73 Cb 0.56 1.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.65 2dls h ILE 73 CO 0.01 0.09 0.85 2.29 0.00 0.00 0.00 178.15 181.39 2dls n LYS 74 N -4.97 2.77 -0.08 2.37 2.85 0.19 -4.18 118.16 117.12 2dls n LYS 74 Ca -0.06 -2.09 -0.15 0.00 -1.05 0.00 0.00 58.31 54.97 2dls n LYS 74 Cb 0.08 -2.25 -0.06 0.00 -0.65 0.00 0.00 35.03 32.15 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2dls n SER 75 N 1.81 1.53 -2.76 -5.58 2.88 -1.15 -4.88 113.62 105.47 2dls n SER 75 Ca 0.52 0.12 -0.12 0.00 -1.33 0.00 0.00 58.87 58.06 2dls n SER 75 Cb 0.58 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 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 2.23 3.79 0.30 0.46 0.00 -1.26 -5.05 105.19 105.67 2dls n GLY 76 Ca -0.29 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.55 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 1.24 -0.18 -1.02 4.61 0.00 -1.98 -3.44 119.26 118.48 2dls h ALA 77 Ca -0.16 0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 2dls h ALA 77 Cb 0.55 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2dls h ALA 77 CO 0.25 -0.70 -0.53 1.52 0.00 0.00 0.00 179.25 179.79 2dls s TYR 78 N -6.05 1.91 -0.08 0.00 -0.85 -1.26 -3.89 117.35 107.12 2dls s TYR 78 Ca -0.15 -1.04 -0.07 0.00 -0.52 0.00 0.00 57.07 55.29 2dls s TYR 78 Cb 0.12 -1.45 0.02 0.00 0.38 0.00 0.00 41.96 41.03 2dls s TYR 78 CO 0.68 0.06 0.21 0.54 -1.52 0.00 0.00 175.55 175.51 2dls s VAL 79 N -3.00 -0.00 -0.58 -3.49 0.11 -1.21 -4.90 120.40 107.32 2dls s VAL 79 Ca 0.16 0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 59.02 2dls s VAL 79 Cb 0.03 -0.30 0.07 0.00 -1.53 0.00 0.00 36.38 34.64 2dls s VAL 79 CO 0.09 0.01 0.82 0.00 -3.33 0.00 0.00 175.10 172.69 2dls s ALA 80 N 0.23 3.25 -0.26 1.54 0.00 -1.26 -2.86 121.76 122.40 2dls s ALA 80 Ca -0.01 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 2dls s ALA 80 Cb -0.02 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2dls s ALA 80 CO -0.01 -2.40 0.19 -0.51 0.00 0.00 0.00 175.76 173.04 2dls s LEU 81 N 3.40 4.07 -0.63 0.00 1.43 0.15 -1.04 118.68 126.05 2dls s LEU 81 Ca 0.20 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 2dls s LEU 81 Cb -0.18 -2.14 0.12 0.00 0.03 0.00 0.00 46.19 44.03 2dls s LEU 81 CO 0.12 -0.00 0.70 -0.89 0.23 0.00 0.00 176.35 176.51 2dls s THR 82 N 1.44 4.99 0.40 5.49 2.01 -0.72 -0.20 115.64 129.05 2dls s THR 82 Ca 0.08 -1.32 -0.10 0.00 0.31 0.00 0.00 61.69 60.66 2dls s THR 82 Cb -0.15 -4.48 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 2dls s THR 82 CO 0.08 -1.09 0.76 -0.76 -0.69 0.00 0.00 174.62 172.91 2dls s LEU 83 N 2.16 3.84 -0.05 4.42 1.43 -0.17 -0.98 118.68 129.33 2dls s LEU 83 Ca 0.12 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2dls s LEU 83 Cb -0.22 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.04 2dls s LEU 83 CO 0.03 -0.39 -0.03 -0.22 0.23 0.00 0.00 176.35 175.96 2dls s LEU 84 N -3.86 1.16 0.00 1.79 2.96 -0.40 -0.41 118.68 119.92 2dls s LEU 84 Ca 0.51 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2dls s LEU 84 Cb -0.10 -0.43 0.00 0.00 0.50 0.00 0.00 46.19 46.16 2dls s LEU 84 CO 0.32 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.87 2dls n GLY 85 N 4.29 0.75 3.74 7.98 0.00 -1.26 -3.43 105.19 117.26 2dls n GLY 85 Ca -0.21 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 2dls n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dls s SER 86 N -1.05 5.99 -0.20 1.61 1.04 -1.26 -4.87 113.70 114.96 2dls s SER 86 Ca 0.00 0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.49 2dls s SER 86 Cb 0.00 -1.98 -0.20 0.00 0.10 0.00 0.00 66.02 63.94 2dls s SER 86 CO 0.00 0.27 0.19 -1.54 0.98 0.00 0.00 173.24 173.14 2dls n SER 87 N 2.93 1.90 -4.05 7.02 3.41 -1.26 -4.99 113.62 118.59 2dls n SER 87 Ca -0.18 0.38 -0.28 0.00 -0.26 0.00 0.00 58.87 58.54 2dls n SER 87 Cb 0.53 -0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 2dls n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dls n SER 88 N -4.28 -0.41 -4.85 4.04 3.41 -1.26 -4.92 113.62 105.35 2dls n SER 88 Ca -0.34 -1.06 -0.33 0.00 -0.26 0.00 0.00 58.87 56.88 2dls n SER 88 Cb 0.75 -2.74 -0.06 0.00 -0.26 0.00 0.00 64.21 61.90 2dls n SER 88 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dls s GLY 89 N -4.25 2.37 0.09 5.00 0.00 -1.26 -5.00 107.32 104.27 2dls s GLY 89 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.62 2dls s GLY 89 CO 0.91 0.18 1.41 -0.56 0.00 0.00 0.00 173.10 175.05 2dls h PRO 90 N 2.60 0.66 -2.27 2.90 0.13 -2.07 -3.45 132.00 130.50 2dls h PRO 90 Ca -0.48 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.27 2dls h PRO 90 Cb 1.18 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 2dls h PRO 90 CO 0.66 0.95 -0.11 0.45 -0.23 0.00 0.00 178.00 179.72 2dls s SER 91 N -6.49 -0.77 -1.06 1.44 0.15 -1.26 -5.09 113.70 100.62 2dls s SER 91 Ca -0.13 1.26 -0.21 0.00 0.70 0.00 0.00 55.95 57.57 2dls s SER 91 Cb 0.08 1.14 0.07 0.00 -1.71 0.00 0.00 66.02 65.60 2dls s SER 91 CO 0.82 -0.22 1.44 -0.94 1.20 0.00 0.00 173.24 175.53 2dls s SER 92 N 1.55 6.60 0.00 5.45 1.04 -1.26 -5.24 113.70 121.84 2dls s SER 92 Ca -0.10 -1.79 0.31 0.00 0.48 0.00 0.00 55.95 54.86 2dls s SER 92 Cb -0.06 -2.53 1.84 0.00 0.10 0.00 0.00 66.02 65.37 2dls s SER 92 CO -0.17 -1.34 2.17 0.61 0.98 0.00 0.00 173.24 175.49