#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 0.04 -0.29 1.61 1.04 -1.26 -5.14 113.70 109.70 2dls s SER 2 Ca 0.00 0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.54 2dls s SER 2 Cb 0.00 0.21 0.15 0.00 0.10 0.00 0.00 66.02 66.48 2dls s SER 2 CO 0.00 -0.17 1.09 -0.55 0.98 0.00 0.00 173.24 174.59 2dls s SER 3 N 1.37 -0.38 0.00 7.02 0.15 -1.26 -5.17 113.70 115.43 2dls s SER 3 Ca -0.07 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dls s SER 3 Cb -0.12 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2dls s SER 3 CO -0.06 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dls n GLY 4 N 2.88 0.95 3.46 9.45 0.00 -1.26 -5.12 105.19 115.55 2dls n GLY 4 Ca -0.15 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 2dls n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dls s SER 5 N -4.00 -0.69 0.21 1.61 1.04 -1.26 -5.17 113.70 105.43 2dls s SER 5 Ca 0.00 1.19 0.06 0.00 0.48 0.00 0.00 55.95 57.68 2dls s SER 5 Cb 0.00 1.11 -0.04 0.00 0.10 0.00 0.00 66.02 67.19 2dls s SER 5 CO 0.00 -0.21 0.14 -0.44 0.98 0.00 0.00 173.24 173.71 2dls s SER 6 N 1.16 5.40 0.00 7.02 0.01 -1.26 -5.07 113.70 120.96 2dls s SER 6 Ca -0.07 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2dls s SER 6 Cb -0.06 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2dls s SER 6 CO -0.11 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2dls n GLY 7 N -0.69 1.36 3.09 3.44 0.00 -1.26 -5.06 105.19 106.07 2dls n GLY 7 Ca -0.08 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.22 1.93 0.24 1.61 0.11 -1.26 -5.08 120.40 116.74 2dls s VAL 8 Ca 0.00 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.22 2dls s VAL 8 Cb 0.00 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.02 2dls s VAL 8 CO 0.00 0.48 -0.08 0.00 -3.33 0.00 0.00 175.10 172.17 2dls s GLN 9 N 1.33 1.41 0.03 1.54 -2.07 -1.26 -1.88 119.66 118.75 2dls s GLN 9 Ca 0.04 -1.68 -0.01 0.00 -1.82 0.00 0.00 55.36 51.89 2dls s GLN 9 Cb -0.13 -1.02 -0.02 0.00 -1.09 0.00 0.00 33.01 30.75 2dls s GLN 9 CO -0.12 0.07 -0.00 -0.98 -1.32 0.00 0.00 175.29 172.94 2dls s ARG 10 N -3.72 0.41 -0.45 9.60 1.70 -0.66 -4.99 118.95 120.83 2dls s ARG 10 Ca 0.26 -0.71 -0.17 0.00 -0.47 0.00 0.00 55.73 54.64 2dls s ARG 10 Cb 0.02 0.15 0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2dls s ARG 10 CO 0.09 -0.08 0.47 0.00 -1.08 0.00 0.00 175.30 174.70 2dls s VAL 12 N 2.13 4.36 -0.26 0.00 0.11 -0.36 -4.91 120.40 121.47 2dls s VAL 12 Ca 0.11 -0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 2dls s VAL 12 Cb -0.19 -2.95 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 2dls s VAL 12 CO 0.12 0.47 0.12 -0.63 -3.33 0.00 0.00 175.10 171.84 2dls s ILE 13 N 0.40 4.67 -0.30 7.04 1.01 -1.26 -0.88 121.20 131.89 2dls s ILE 13 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2dls s ILE 13 Cb -0.13 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2dls s ILE 13 CO 0.02 0.30 0.09 -0.63 0.00 0.00 0.00 174.94 174.71 2dls s ILE 14 N 1.67 4.00 -0.03 2.92 1.01 -0.84 -4.90 121.20 125.02 2dls s ILE 14 Ca 0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2dls s ILE 14 Cb -0.15 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 2dls s ILE 14 CO 0.06 0.07 0.24 0.00 0.00 0.00 0.00 174.94 175.31 2dls s GLN 15 N 1.51 3.56 0.56 2.79 0.00 -1.26 -2.44 119.66 124.38 2dls s GLN 15 Ca 0.03 -0.06 -0.21 0.00 -0.00 0.00 0.00 55.36 55.11 2dls s GLN 15 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 33.01 29.67 2dls s GLN 15 CO 0.03 0.69 1.34 0.36 0.00 0.00 0.00 175.29 177.71 2dls n LYS 16 N 1.43 1.59 0.00 9.60 2.85 -1.11 -4.86 118.16 127.67 2dls n LYS 16 Ca -0.14 0.59 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 2dls n LYS 16 Cb 0.53 -2.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 2dls n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dls n ASP 17 N -1.14 1.60 -3.24 -5.58 -0.08 -1.12 -4.88 116.55 102.11 2dls n ASP 17 Ca 0.11 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.11 2dls n ASP 17 Cb 0.45 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.86 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 -1.97 3.07 -3.62 -0.67 -0.06 -1.26 -4.85 117.38 108.02 2dls n GLN 18 Ca 0.00 -4.76 -0.23 0.00 -2.00 0.00 0.00 57.00 50.01 2dls n GLN 18 Cb 0.21 -2.27 0.07 0.00 -4.06 0.00 0.00 30.24 24.19 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 0.33 -2.51 0.00 3.69 8.25 -1.26 -4.81 115.22 118.91 2dls n HIS 19 Ca 0.31 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.73 2dls n HIS 19 Cb 0.39 -4.82 0.00 0.00 1.12 0.00 0.00 29.99 26.68 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 -1.68 0.89 3.96 -1.41 0.00 -1.26 -5.11 105.19 100.57 2dls n GLY 20 Ca -0.10 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.43 3.19 -0.20 1.61 0.08 -1.26 -2.80 117.98 117.17 2dls s PHE 21 Ca 0.00 0.13 0.14 0.00 0.12 0.00 0.00 56.93 57.32 2dls s PHE 21 Cb 0.00 -2.25 0.41 0.00 -0.57 0.00 0.00 43.02 40.61 2dls s PHE 21 CO 0.00 -0.29 1.28 0.41 -0.10 0.00 0.00 175.22 176.52 2dls n GLY 22 N -1.99 4.87 2.99 4.36 0.00 -1.26 -4.98 105.19 109.18 2dls n GLY 22 Ca 0.01 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.08 1.35 0.44 1.61 -0.12 -1.26 -0.77 117.98 116.15 2dls s PHE 23 Ca 0.38 -0.51 0.08 0.00 -0.05 0.00 0.00 56.93 56.83 2dls s PHE 23 Cb 0.35 -1.03 -0.00 0.00 -0.63 0.00 0.00 43.02 41.71 2dls s PHE 23 CO -0.00 -0.29 0.44 -0.08 -0.05 0.00 0.00 175.22 175.23 2dls s THR 24 N 0.83 2.59 0.21 -4.49 -1.32 -1.01 -5.00 115.64 107.46 2dls s THR 24 Ca -0.12 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.07 2dls s THR 24 Cb -0.15 -2.87 -0.04 0.00 -1.51 0.00 0.00 72.50 67.93 2dls s THR 24 CO 0.02 0.00 0.15 0.68 -2.21 0.00 0.00 174.62 173.26 2dls s VAL 25 N -2.49 0.00 -0.28 5.08 -7.23 -1.26 -1.50 120.40 112.72 2dls s VAL 25 Ca 0.49 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 2dls s VAL 25 Cb -0.04 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.51 2dls s VAL 25 CO 0.29 0.00 0.90 -0.55 -0.31 0.00 0.00 175.10 175.42 2dls s SER 26 N -3.16 -0.59 0.00 4.85 0.15 -1.00 -4.70 113.70 109.25 2dls s SER 26 Ca 0.38 1.12 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2dls s SER 26 Cb 0.06 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2dls s SER 26 CO 0.12 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dls n GLY 27 N 2.59 3.85 0.00 9.45 0.00 -1.26 -2.46 105.19 117.36 2dls n GLY 27 Ca -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2dls n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dls n ASP 28 N 0.00 0.00 -0.01 1.61 -0.08 -1.26 -3.48 116.55 113.33 2dls n ASP 28 Ca 0.00 0.90 -0.17 0.00 -1.51 0.00 0.00 54.79 54.01 2dls n ASP 28 Cb 0.00 -0.49 -0.14 0.00 2.34 0.00 0.00 41.12 42.83 2dls n ASP 28 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2dls n ARG 29 N -1.98 0.71 -3.46 -0.67 1.74 -1.26 -3.17 116.66 108.58 2dls n ARG 29 Ca 0.00 0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.91 2dls n ARG 29 Cb 0.00 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.65 2dls n ARG 29 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2dls s ILE 30 N -2.57 4.72 0.08 0.55 -1.09 -1.26 -4.18 121.20 117.45 2dls s ILE 30 Ca -0.17 -2.05 -0.26 0.00 -2.23 0.00 0.00 60.65 55.94 2dls s ILE 30 Cb 0.07 -4.03 -0.06 0.00 -1.58 0.00 0.00 42.46 36.86 2dls s ILE 30 CO 0.78 -0.87 0.81 -0.69 -1.23 0.00 0.00 174.94 173.74 2dls s VAL 31 N 0.93 4.61 -0.00 2.92 1.01 -1.26 -4.16 120.40 124.45 2dls s VAL 31 Ca 0.10 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.75 2dls s VAL 31 Cb -0.22 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2dls s VAL 31 CO -0.02 0.38 0.12 -0.76 0.00 0.00 0.00 175.10 174.82 2dls s LEU 32 N -0.23 1.60 -0.50 3.92 1.43 -1.03 -3.22 118.68 120.65 2dls s LEU 32 Ca 0.40 -0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 2dls s LEU 32 Cb -0.22 0.61 -0.06 0.00 0.03 0.00 0.00 46.19 46.55 2dls s LEU 32 CO 0.25 -0.33 2.25 -0.69 0.23 0.00 0.00 176.35 178.06 2dls s VAL 33 N -1.24 3.10 0.08 -1.59 1.01 -1.11 -2.37 120.40 118.28 2dls s VAL 33 Ca -0.13 0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.56 2dls s VAL 33 Cb -0.07 -3.25 -0.18 0.00 0.00 0.00 0.00 36.38 32.87 2dls s VAL 33 CO 0.01 -0.24 1.59 -0.61 0.00 0.00 0.00 175.10 175.85 2dls h GLN 34 N 18.11 -1.03 -3.85 2.72 5.75 -1.54 -3.22 115.11 132.05 2dls h GLN 34 Ca -0.26 0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.22 2dls h GLN 34 Cb 1.24 0.23 -0.13 0.00 1.07 0.00 0.00 27.48 29.90 2dls h GLN 34 CO 1.16 -0.68 -0.31 -1.54 -2.65 0.00 0.00 178.83 174.80 2dls s SER 35 N -4.29 0.04 -0.04 -0.69 1.04 -1.25 -4.86 113.70 103.65 2dls s SER 35 Ca -0.18 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 2dls s SER 35 Cb 0.04 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2dls s SER 35 CO 0.61 -0.88 0.06 -0.69 0.98 0.00 0.00 173.24 173.32 2dls s VAL 36 N -3.95 -0.11 0.30 5.02 1.01 -1.26 -2.39 120.40 119.02 2dls s VAL 36 Ca 0.15 0.40 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 2dls s VAL 36 Cb 0.03 -0.15 -0.14 0.00 0.00 0.00 0.00 36.38 36.13 2dls s VAL 36 CO -0.02 0.17 0.95 -1.14 0.00 0.00 0.00 175.10 175.06 2dls n ARG 37 N 5.16 1.22 -2.06 2.72 0.63 0.05 -4.78 116.66 119.59 2dls n ARG 37 Ca -0.06 0.43 -0.28 0.00 -0.92 0.00 0.00 57.85 57.02 2dls n ARG 37 Cb 0.50 -1.79 -0.06 0.00 0.45 0.00 0.00 32.46 31.56 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 -1.56 2.50 0.00 -0.14 0.04 -1.26 -2.94 135.00 131.65 2dls s PRO 38 Ca 0.59 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2dls s PRO 38 Cb -0.70 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 28.63 2dls s PRO 38 CO 0.59 -3.87 0.00 0.41 0.04 0.00 0.00 177.00 174.17 2dls n GLY 39 N 6.01 1.11 0.00 0.56 0.00 -1.26 -5.08 105.19 106.54 2dls n GLY 39 Ca 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.66 1.51 0.00 -0.02 0.00 -1.15 -4.89 105.19 99.97 2dls n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.90 0.08 4.61 0.00 -1.26 -4.61 120.51 118.23 2dls n ALA 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2dls n ALA 41 Cb 0.00 0.30 -0.06 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 0.00 0.36 -0.15 0.00 0.00 -1.90 -3.21 119.26 114.36 2dls h ALA 42 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 2dls h ALA 42 Cb 0.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dls h ALA 42 CO 0.00 0.97 -0.04 1.98 0.00 0.00 0.00 179.25 182.17 2dls h MET 43 N 0.09 0.29 -0.01 0.00 -1.53 -1.80 -2.54 114.93 109.44 2dls h MET 43 Ca -0.07 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.08 2dls h MET 43 Cb 1.68 -0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 32.71 2dls h MET 43 CO 0.16 0.57 0.01 1.57 0.14 0.00 0.00 176.91 179.36 2dls h LYS 44 N -0.01 0.00 0.00 0.39 2.10 -1.82 0.72 116.57 117.96 2dls h LYS 44 Ca 0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.65 2dls h LYS 44 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2dls h LYS 44 CO 0.01 0.00 -0.26 0.00 -2.00 0.00 0.00 179.45 177.20 2dls h ALA 45 N 1.98 0.86 0.00 0.07 0.00 -1.49 -3.48 119.26 117.20 2dls h ALA 45 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dls h ALA 45 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dls h ALA 45 CO -0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2dls n GLY 46 N 1.15 0.91 3.41 0.00 0.00 0.25 -5.02 105.19 105.89 2dls n GLY 46 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.73 2.67 0.05 1.61 1.01 -0.99 -5.04 120.40 117.98 2dls s VAL 47 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2dls s VAL 47 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2dls s VAL 47 CO 0.00 0.57 -0.01 -0.54 0.00 0.00 0.00 175.10 175.12 2dls s LYS 48 N -0.75 0.56 0.07 2.72 1.02 -1.26 -4.44 119.74 117.66 2dls s LYS 48 Ca 0.11 -1.04 -0.37 0.00 0.02 0.00 0.00 55.97 54.69 2dls s LYS 48 Cb -0.10 0.20 -0.16 0.00 -0.52 0.00 0.00 37.83 37.24 2dls s LYS 48 CO 0.00 -0.11 1.38 0.39 -0.92 0.00 0.00 175.35 176.09 2dls n GLU 49 N 0.45 1.22 0.00 1.68 1.02 -1.26 -3.90 120.64 119.86 2dls n GLU 49 Ca -0.16 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2dls n GLU 49 Cb 0.60 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 2.66 0.66 2.68 0.62 0.00 -1.22 -5.01 105.19 105.58 2dls n GLY 50 Ca 0.19 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.19 2.77 0.04 1.61 1.11 -1.25 -4.94 116.67 114.82 2dls s ASP 51 Ca 0.00 -0.80 -0.28 0.00 0.18 0.00 0.00 52.55 51.65 2dls s ASP 51 Cb 0.00 -0.46 -0.05 0.00 1.07 0.00 0.00 42.92 43.49 2dls s ASP 51 CO 0.00 -0.33 0.89 -0.60 1.18 0.00 0.00 175.17 176.31 2dls s ARG 52 N 1.97 4.57 0.01 8.23 3.52 -1.26 -2.73 118.95 133.25 2dls s ARG 52 Ca 0.01 1.28 -0.16 0.00 -0.13 0.00 0.00 55.73 56.73 2dls s ARG 52 Cb -0.17 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 2dls s ARG 52 CO -0.10 0.12 0.45 0.42 -0.81 0.00 0.00 175.30 175.38 2dls s ILE 53 N 0.42 4.97 -0.12 4.11 1.01 -1.20 -2.96 121.20 127.44 2dls s ILE 53 Ca 0.45 0.94 0.01 0.00 0.00 0.00 0.00 60.65 62.06 2dls s ILE 53 Cb -0.21 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2dls s ILE 53 CO 0.26 0.55 -0.11 -0.38 0.00 0.00 0.00 174.94 175.26 2dls n ILE 54 N 1.98 0.69 -4.15 2.92 5.41 0.01 -4.65 119.36 121.58 2dls n ILE 54 Ca -0.12 -0.26 -0.16 0.00 1.00 0.00 0.00 62.75 63.21 2dls n ILE 54 Cb 0.52 -0.95 -0.11 0.00 -0.71 0.00 0.00 39.64 38.38 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 -2.24 0.77 -0.20 0.38 2.20 -1.26 -3.37 119.74 116.02 2dls s LYS 55 Ca -0.16 -0.98 -0.04 0.00 -0.36 0.00 0.00 55.97 54.43 2dls s LYS 55 Cb 0.04 -0.63 0.10 0.00 -1.51 0.00 0.00 37.83 35.84 2dls s LYS 55 CO 0.28 0.12 0.28 0.08 -0.36 0.00 0.00 175.35 175.75 2dls s VAL 56 N -1.67 -0.43 -1.30 4.02 1.01 0.27 -1.88 120.40 120.42 2dls s VAL 56 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2dls s VAL 56 Cb -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2dls s VAL 56 CO 0.01 -0.12 0.15 0.59 0.00 0.00 0.00 175.10 175.73 2dls n ASN 57 N 5.34 -4.55 0.00 3.32 3.02 -1.09 -0.01 115.26 121.29 2dls n ASN 57 Ca -0.05 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2dls n ASN 57 Cb 0.50 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 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 -0.99 0.58 3.43 7.41 0.00 -1.26 -5.05 105.19 109.31 2dls n GLY 58 Ca -0.14 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 3.16 -0.59 2.61 2.01 0.98 -5.08 115.64 116.73 2dls s THR 59 Ca 0.00 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.13 2dls s THR 59 Cb 0.00 -2.30 0.06 0.00 0.01 0.00 0.00 72.50 70.28 2dls s THR 59 CO 0.00 0.55 0.86 -0.32 -0.69 0.00 0.00 174.62 175.03 2dls s MET 60 N -0.12 3.17 -0.41 4.92 1.75 -1.26 -0.57 119.30 126.78 2dls s MET 60 Ca -0.01 -0.72 0.05 0.00 -1.25 0.00 0.00 55.69 53.75 2dls s MET 60 Cb -0.14 -4.15 0.47 0.00 2.84 0.00 0.00 34.83 33.85 2dls s MET 60 CO 0.03 -1.57 1.50 1.33 -0.65 0.00 0.00 175.02 175.66 2dls n VAL 61 N 5.91 2.87 0.22 10.11 0.24 -1.22 -4.66 118.33 131.80 2dls n VAL 61 Ca -0.03 -3.56 0.09 0.00 -2.04 0.00 0.00 64.34 58.80 2dls n VAL 61 Cb 0.46 -0.99 0.51 0.00 -1.47 0.00 0.00 33.84 32.35 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 1.60 0.71 0.00 3.34 1.35 -1.83 -3.34 112.91 114.75 2dls h THR 62 Ca 0.42 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2dls h THR 62 Cb 1.35 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2dls h THR 62 CO 0.94 0.23 -0.88 -0.46 -0.25 0.00 0.00 175.52 175.11 2dls n ASN 63 N -3.58 4.11 -4.10 5.36 6.94 -1.26 -4.62 115.26 118.11 2dls n ASN 63 Ca -0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.20 2dls n ASN 63 Cb 0.38 0.29 0.06 0.00 -2.36 0.00 0.00 39.78 38.15 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 -2.01 -5.10 -4.74 0.53 7.64 -1.25 -4.18 113.62 104.50 2dls n SER 64 Ca 0.00 0.23 -0.29 0.00 1.01 0.00 0.00 58.87 59.83 2dls n SER 64 Cb 0.44 -0.86 0.15 0.00 -1.01 0.00 0.00 64.21 62.93 2dls n SER 64 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dls s SER 65 N -1.21 3.13 0.01 6.43 0.15 -1.23 -4.24 113.70 116.74 2dls s SER 65 Ca 0.44 1.03 -0.25 0.00 0.70 0.00 0.00 55.95 57.87 2dls s SER 65 Cb -0.20 -1.64 -0.18 0.00 -1.71 0.00 0.00 66.02 62.29 2dls s SER 65 CO 0.79 -2.80 1.37 -0.74 1.20 0.00 0.00 173.24 173.06 2dls h HIS 66 N -1.67 -0.14 -1.00 3.44 2.76 -1.58 -3.06 115.15 113.91 2dls h HIS 66 Ca -0.52 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 57.84 2dls h HIS 66 Cb 1.33 0.05 -0.11 0.00 1.55 0.00 0.00 27.41 30.23 2dls h HIS 66 CO 0.28 0.18 0.60 -0.07 -1.30 0.00 0.00 177.93 177.62 2dls h LEU 67 N -0.47 0.76 -0.68 0.26 3.38 -1.93 0.27 115.31 116.91 2dls h LEU 67 Ca -0.02 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2dls h LEU 67 Cb 0.38 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2dls h LEU 67 CO 0.03 0.26 0.37 -0.33 0.09 0.00 0.00 178.44 178.85 2dls h GLU 68 N 0.74 0.64 0.21 1.13 4.39 -1.91 -2.69 114.58 117.09 2dls h GLU 68 Ca 0.58 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.23 2dls h GLU 68 Cb 0.91 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2dls h GLU 68 CO -0.39 0.43 -0.10 0.28 -1.16 0.00 0.00 179.01 178.06 2dls h VAL 69 N 0.66 0.84 -0.93 3.13 2.07 -0.90 -3.10 116.25 118.03 2dls h VAL 69 Ca 0.31 -0.31 0.18 0.00 0.82 0.00 0.00 66.70 67.70 2dls h VAL 69 Cb 0.23 1.03 -0.17 0.00 -1.52 0.00 0.00 31.29 30.86 2dls h VAL 69 CO -0.20 0.07 -0.25 0.58 0.02 0.00 0.00 177.57 177.78 2dls h VAL 70 N -0.44 0.06 -0.72 2.57 2.07 -1.11 0.36 116.25 119.05 2dls h VAL 70 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 2dls h VAL 70 Cb 0.34 0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 30.04 2dls h VAL 70 CO 0.05 0.00 -0.11 0.11 0.02 0.00 0.00 177.57 177.64 2dls h LYS 71 N -0.01 0.04 -0.11 1.57 1.57 -1.42 0.50 116.57 118.71 2dls h LYS 71 Ca 0.43 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.13 2dls h LYS 71 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2dls h LYS 71 CO -0.95 0.02 -0.29 -0.07 -0.57 0.00 0.00 179.45 177.59 2dls h LEU 72 N 0.04 0.19 -0.33 2.94 3.38 -0.39 -2.99 115.31 118.15 2dls h LEU 72 Ca 0.36 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2dls h LEU 72 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dls h LEU 72 CO -0.70 0.49 0.05 0.40 0.09 0.00 0.00 178.44 178.78 2dls h ILE 73 N 0.17 1.24 -1.73 1.22 2.04 0.11 -3.21 117.51 117.34 2dls h ILE 73 Ca 0.03 -0.82 -0.76 0.00 1.00 0.00 0.00 64.86 64.30 2dls h ILE 73 Cb 0.62 1.13 -0.21 0.00 -0.74 0.00 0.00 36.82 37.62 2dls h ILE 73 CO 0.04 0.27 1.52 2.29 0.00 0.00 0.00 178.15 182.28 2dls n LYS 74 N -4.60 4.72 0.00 2.37 2.85 -0.02 -4.31 118.16 119.16 2dls n LYS 74 Ca -0.02 -3.97 0.00 0.00 -1.05 0.00 0.00 58.31 53.27 2dls n LYS 74 Cb 0.22 -2.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 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 0.64 3.98 -3.48 -5.58 2.88 -1.21 -4.95 113.62 105.91 2dls n SER 75 Ca 0.54 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.86 2dls n SER 75 Cb 0.27 0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.26 3.14 0.29 0.46 0.00 -1.26 -5.06 105.19 106.02 2dls n GLY 76 Ca 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 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 1.81 -0.11 -1.32 4.61 0.00 -1.97 -3.44 119.26 118.84 2dls h ALA 77 Ca -0.27 0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 2dls h ALA 77 Cb 1.15 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 2dls h ALA 77 CO 0.41 -0.67 -0.55 1.52 0.00 0.00 0.00 179.25 179.96 2dls s TYR 78 N -6.07 2.00 -0.04 0.00 -0.85 -1.26 -2.74 117.35 108.38 2dls s TYR 78 Ca -0.15 -0.99 -0.02 0.00 -0.52 0.00 0.00 57.07 55.39 2dls s TYR 78 Cb 0.13 -1.45 0.02 0.00 0.38 0.00 0.00 41.96 41.04 2dls s TYR 78 CO 0.68 0.08 0.10 0.54 -1.52 0.00 0.00 175.55 175.43 2dls s VAL 79 N -3.02 -0.03 -0.43 -3.49 0.11 -1.02 -4.93 120.40 107.58 2dls s VAL 79 Ca 0.23 0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.19 2dls s VAL 79 Cb 0.05 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.76 2dls s VAL 79 CO 0.12 0.05 0.64 0.00 -3.33 0.00 0.00 175.10 172.57 2dls s ALA 80 N 0.69 3.35 -0.13 1.54 0.00 -1.26 -1.99 121.76 123.96 2dls s ALA 80 Ca -0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2dls s ALA 80 Cb -0.07 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2dls s ALA 80 CO -0.03 -1.76 -0.01 -0.51 0.00 0.00 0.00 175.76 173.46 2dls s LEU 81 N 2.80 3.46 -0.64 0.00 1.43 -0.06 -2.66 118.68 123.01 2dls s LEU 81 Ca 0.23 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 2dls s LEU 81 Cb -0.14 -1.82 0.14 0.00 0.03 0.00 0.00 46.19 44.40 2dls s LEU 81 CO 0.19 0.25 0.64 -0.89 0.23 0.00 0.00 176.35 176.77 2dls s THR 82 N -0.12 5.18 -0.13 5.49 2.01 -0.79 -1.22 115.64 126.07 2dls s THR 82 Ca 0.04 -1.60 -0.08 0.00 0.31 0.00 0.00 61.69 60.37 2dls s THR 82 Cb -0.13 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2dls s THR 82 CO 0.02 -1.00 0.14 -0.76 -0.69 0.00 0.00 174.62 172.33 2dls s LEU 83 N 1.60 4.37 0.03 4.42 1.43 -0.96 -0.81 118.68 128.77 2dls s LEU 83 Ca 0.10 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2dls s LEU 83 Cb -0.23 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2dls s LEU 83 CO 0.01 0.38 -0.06 -0.22 0.23 0.00 0.00 176.35 176.69 2dls s LEU 84 N -0.87 3.22 -0.15 1.79 0.20 -1.16 -1.65 118.68 120.07 2dls s LEU 84 Ca 0.14 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.80 2dls s LEU 84 Cb -0.12 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.76 2dls s LEU 84 CO 0.04 0.25 -0.19 -0.83 -0.29 0.00 0.00 176.35 175.33 2dls s GLY 85 N -1.66 1.42 0.24 7.98 0.00 -0.79 -4.45 107.32 110.06 2dls s GLY 85 Ca 0.19 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.84 2dls s GLY 85 CO 0.10 -0.02 0.22 -1.35 0.00 0.00 0.00 173.10 172.06 2dls s SER 86 N 0.79 0.53 -0.00 1.64 1.04 -1.26 -4.34 113.70 112.09 2dls s SER 86 Ca -0.07 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.93 2dls s SER 86 Cb -0.16 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.43 2dls s SER 86 CO -0.00 -0.95 0.00 -0.44 0.98 0.00 0.00 173.24 172.83 2dls s SER 87 N -3.20 0.06 0.17 7.02 0.01 -1.26 -5.15 113.70 111.35 2dls s SER 87 Ca 0.37 0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.40 2dls s SER 87 Cb 0.05 -0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.32 2dls s SER 87 CO 0.16 -0.02 0.99 -0.94 0.41 0.00 0.00 173.24 173.84 2dls s SER 88 N 0.22 -0.09 0.23 2.44 1.04 -1.26 -5.19 113.70 111.09 2dls s SER 88 Ca -0.02 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 55.91 2dls s SER 88 Cb -0.03 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 2dls s SER 88 CO -0.01 -0.96 0.01 -0.83 0.98 0.00 0.00 173.24 172.44 2dls s GLY 89 N -3.13 1.58 0.39 7.32 0.00 -1.26 -5.04 107.32 107.18 2dls s GLY 89 Ca 0.16 -1.78 0.18 0.00 0.00 0.00 0.00 44.72 43.28 2dls s GLY 89 CO 0.04 -1.66 1.81 -0.56 0.00 0.00 0.00 173.10 172.73 2dls h PRO 90 N 2.46 0.00 -6.46 2.90 0.13 -2.08 -3.46 132.00 125.49 2dls h PRO 90 Ca -0.38 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.21 2dls h PRO 90 Cb 1.22 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.58 2dls h PRO 90 CO 0.64 0.35 -1.14 0.43 -0.23 0.00 0.00 178.00 178.05 2dls n SER 91 N -3.71 -3.69 -4.50 1.44 7.64 -1.26 -4.86 113.62 104.68 2dls n SER 91 Ca -0.01 0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 2dls n SER 91 Cb 0.44 -1.01 0.09 0.00 -1.01 0.00 0.00 64.21 62.73 2dls n SER 91 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dls n SER 92 N 0.67 -0.99 -0.80 6.43 3.41 -1.26 -5.23 113.62 115.84 2dls n SER 92 Ca 0.03 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 2dls n SER 92 Cb 0.55 -1.27 0.08 0.00 -0.26 0.00 0.00 64.21 63.31 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49