#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6l s GLN 2 N 0.00 3.66 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.08 1b6l s GLN 2 Ca 0.00 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 1b6l s GLN 2 Cb 0.00 -3.26 -0.00 0.00 1.10 0.00 0.00 33.01 30.85 1b6l s GLN 2 CO 0.00 -0.11 -0.11 0.42 -0.55 0.00 0.00 175.29 174.94 1b6l s ILE 3 N 1.40 2.96 0.71 -2.34 1.01 -1.26 -5.11 121.20 118.56 1b6l s ILE 3 Ca 0.05 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 1b6l s ILE 3 Cb -0.15 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.07 1b6l s ILE 3 CO 0.03 0.48 1.06 0.42 0.00 0.00 0.00 174.94 176.93 1b6l s THR 4 N 1.07 2.89 -0.21 2.92 -4.23 -1.26 -5.02 115.64 111.79 1b6l s THR 4 Ca -0.00 0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1b6l s THR 4 Cb -0.15 -3.25 0.52 0.00 1.34 0.00 0.00 72.50 70.97 1b6l s THR 4 CO -0.02 -0.30 1.44 0.18 -0.54 0.00 0.00 174.62 175.38 1b6l n LEU 5 N -2.98 3.98 0.22 4.79 4.77 -1.26 -4.55 117.00 121.98 1b6l n LEU 5 Ca 0.07 -3.24 0.07 0.00 -0.03 0.00 0.00 56.01 52.88 1b6l n LEU 5 Cb 0.59 -0.57 0.48 0.00 -2.33 0.00 0.00 43.42 41.59 1b6l n LEU 5 CO 0.55 0.84 0.80 -0.50 -1.33 0.00 0.00 177.39 177.75 1b6l h TRP 6 N 1.51 0.00 -2.68 -1.77 4.06 -2.06 -3.43 115.95 111.58 1b6l h TRP 6 Ca 0.08 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.54 1b6l h TRP 6 Cb 1.53 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.55 1b6l h TRP 6 CO 0.65 0.27 -0.68 0.15 -3.56 0.00 0.00 178.44 175.28 1b6l s LYS 7 N -3.98 1.53 0.24 0.49 1.02 -1.26 -5.11 119.74 112.67 1b6l s LYS 7 Ca -0.02 -1.77 -0.31 0.00 0.02 0.00 0.00 55.97 53.90 1b6l s LYS 7 Cb 0.13 -1.14 -0.11 0.00 -0.52 0.00 0.00 37.83 36.18 1b6l s LYS 7 CO 0.66 0.05 1.64 1.03 -0.92 0.00 0.00 175.35 177.80 1b6l s ARG 8 N -3.72 4.14 -1.14 1.68 0.52 -1.26 -4.85 118.95 114.32 1b6l s ARG 8 Ca 0.29 2.55 -0.11 0.00 -0.52 0.00 0.00 55.73 57.94 1b6l s ARG 8 Cb 0.03 -3.06 -0.07 0.00 0.52 0.00 0.00 34.95 32.37 1b6l s ARG 8 CO 0.11 -0.67 2.29 -0.35 0.02 0.00 0.00 175.30 176.71 1b6l n PRO 9 N 3.12 2.46 -3.09 3.54 -0.04 -1.26 -4.90 135.00 134.83 1b6l n PRO 9 Ca 0.12 -1.89 -0.40 0.00 -0.04 0.00 0.00 63.50 61.29 1b6l n PRO 9 Cb 0.37 -2.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.01 1b6l n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b6l s LEU 10 N 0.67 4.28 0.14 1.53 1.43 -1.26 -1.43 118.68 124.04 1b6l s LEU 10 Ca 0.52 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1b6l s LEU 10 Cb 0.14 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1b6l s LEU 10 CO -0.02 -0.13 -0.08 0.68 0.23 0.00 0.00 176.35 177.04 1b6l s VAL 11 N 0.97 0.98 0.02 -1.59 -7.23 0.28 -4.92 120.40 108.90 1b6l s VAL 11 Ca 0.35 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.28 1b6l s VAL 11 Cb -0.17 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 1b6l s VAL 11 CO 0.16 -0.75 0.66 -0.89 -0.31 0.00 0.00 175.10 173.97 1b6l s THR 12 N -3.45 4.81 0.18 5.32 2.01 -1.26 -0.57 115.64 122.69 1b6l s THR 12 Ca 0.16 1.40 0.08 0.00 0.31 0.00 0.00 61.69 63.64 1b6l s THR 12 Cb 0.04 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1b6l s THR 12 CO -0.01 0.41 -0.15 0.27 -0.69 0.00 0.00 174.62 174.45 1b6l s ILE 13 N -0.22 1.70 -0.17 1.82 -4.36 0.13 -4.69 121.20 115.41 1b6l s ILE 13 Ca 0.34 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1b6l s ILE 13 Cb -0.19 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.62 1b6l s ILE 13 CO 0.20 -0.50 -0.19 -0.60 0.24 0.00 0.00 174.94 174.09 1b6l s ARG 14 N -3.28 2.87 -0.04 0.37 3.52 -0.24 -0.69 118.95 121.45 1b6l s ARG 14 Ca 0.19 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 1b6l s ARG 14 Cb -0.03 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 30.94 1b6l s ARG 14 CO 0.06 -0.18 0.08 -1.50 -0.81 0.00 0.00 175.30 172.95 1b6l s ILE 15 N 1.25 -0.06 -1.42 4.11 2.07 0.00 -1.60 121.20 125.56 1b6l s ILE 15 Ca 0.03 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 1b6l s ILE 15 Cb -0.13 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.30 1b6l s ILE 15 CO -0.11 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1b6l n GLY 16 N 4.25 0.72 2.11 1.50 0.00 -1.26 -1.43 105.19 111.07 1b6l n GLY 16 Ca -0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1b6l n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6l n GLY 17 N -1.11 0.48 3.20 -0.02 0.00 -1.26 -5.02 105.19 101.46 1b6l n GLY 17 Ca -0.16 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1b6l n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b6l s GLN 18 N -0.79 1.95 0.14 1.61 0.74 -0.52 -5.13 119.66 117.67 1b6l s GLN 18 Ca 0.00 -0.74 -0.23 0.00 0.05 0.00 0.00 55.36 54.45 1b6l s GLN 18 Cb 0.00 -1.74 -0.08 0.00 1.10 0.00 0.00 33.01 32.29 1b6l s GLN 18 CO 0.00 0.35 0.70 -0.51 -0.55 0.00 0.00 175.29 175.28 1b6l s LEU 19 N -0.20 4.56 0.13 3.68 1.43 -1.26 -0.82 118.68 126.20 1b6l s LEU 19 Ca 0.00 1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1b6l s LEU 19 Cb -0.11 -3.16 -0.00 0.00 0.03 0.00 0.00 46.19 42.95 1b6l s LEU 19 CO 0.02 0.23 0.26 -0.54 0.23 0.00 0.00 176.35 176.54 1b6l s LYS 20 N -1.17 1.02 -0.09 1.70 1.02 0.13 -4.98 119.74 117.37 1b6l s LYS 20 Ca 0.34 -1.02 -0.09 0.00 0.02 0.00 0.00 55.97 55.22 1b6l s LYS 20 Cb -0.22 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1b6l s LYS 20 CO 0.23 -0.36 0.20 -1.21 -0.92 0.00 0.00 175.35 173.30 1b6l s GLU 21 N -3.90 3.54 0.01 1.68 2.02 -1.26 0.20 118.70 121.00 1b6l s GLU 21 Ca 0.10 -0.02 -0.11 0.00 0.02 0.00 0.00 54.97 54.97 1b6l s GLU 21 Cb 0.04 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.08 1b6l s GLU 21 CO -0.06 0.76 0.22 0.00 0.02 0.00 0.00 175.26 176.20 1b6l s ALA 22 N -1.05 -0.50 -0.17 5.21 0.00 0.27 -4.46 121.76 121.05 1b6l s ALA 22 Ca 0.17 -0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 1b6l s ALA 22 Cb -0.13 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1b6l s ALA 22 CO 0.06 -0.29 0.41 -1.17 0.00 0.00 0.00 175.76 174.77 1b6l s LEU 23 N -1.65 4.20 -0.51 0.00 2.96 0.93 -0.56 118.68 124.05 1b6l s LEU 23 Ca -0.10 0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 54.12 1b6l s LEU 23 Cb -0.04 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.11 1b6l s LEU 23 CO 0.00 -0.04 1.42 -0.76 -1.32 0.00 0.00 176.35 175.65 1b6l s LEU 24 N 1.03 3.47 -0.46 -0.68 1.43 -0.52 -0.13 118.68 122.82 1b6l s LEU 24 Ca 0.21 0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1b6l s LEU 24 Cb -0.15 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 42.96 1b6l s LEU 24 CO 0.08 -1.61 0.25 -0.62 0.23 0.00 0.00 176.35 174.68 1b6l s ASP 25 N 4.28 5.18 0.33 2.29 -1.08 -0.04 -4.83 116.67 122.80 1b6l s ASP 25 Ca 0.56 -2.27 0.26 0.00 -0.52 0.00 0.00 52.55 50.58 1b6l s ASP 25 Cb -0.12 -1.81 1.04 0.00 -1.46 0.00 0.00 42.92 40.57 1b6l s ASP 25 CO 0.28 -0.48 1.78 0.71 0.52 0.00 0.00 175.17 177.98 1b6l h THR 26 N 6.10 0.00 -0.20 1.71 1.35 -1.93 -2.61 112.91 117.33 1b6l h THR 26 Ca -0.10 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1b6l h THR 26 Cb 1.02 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1b6l h THR 26 CO 0.69 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1b6l n GLY 27 N 0.19 0.35 3.40 5.82 0.00 -1.26 -4.80 105.19 108.89 1b6l n GLY 27 Ca 0.02 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1b6l n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6l s ALA 28 N -1.75 2.81 0.13 4.61 0.00 -0.98 -5.00 121.76 121.59 1b6l s ALA 28 Ca 0.31 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1b6l s ALA 28 Cb 0.17 -1.48 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 1b6l s ALA 28 CO 0.25 0.04 1.45 -0.44 0.00 0.00 0.00 175.76 177.06 1b6l h ASP 29 N 7.10 0.99 -1.65 0.00 3.32 -1.87 0.66 116.42 124.97 1b6l h ASP 29 Ca -0.32 -0.49 -0.55 0.00 0.02 0.00 0.00 57.03 55.68 1b6l h ASP 29 Cb 1.19 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 40.38 1b6l h ASP 29 CO 0.59 1.29 -0.50 -1.81 -1.72 0.00 0.00 179.24 177.09 1b6l s ASP 30 N -6.87 4.52 -0.27 6.45 1.01 -1.26 -2.70 116.67 117.54 1b6l s ASP 30 Ca -0.11 -0.99 -0.10 0.00 0.71 0.00 0.00 52.55 52.06 1b6l s ASP 30 Cb 0.11 -0.53 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 1b6l s ASP 30 CO 0.88 -0.50 0.15 -0.89 0.21 0.00 0.00 175.17 175.03 1b6l s THR 31 N -2.55 5.00 -0.15 -1.27 2.01 -1.26 -3.27 115.64 114.14 1b6l s THR 31 Ca 0.41 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1b6l s THR 31 Cb 0.02 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.17 1b6l s THR 31 CO 0.23 0.27 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.55 1b6l s VAL 32 N 1.71 1.92 0.05 3.82 1.01 -0.85 -0.63 120.40 127.43 1b6l s VAL 32 Ca 0.07 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1b6l s VAL 32 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1b6l s VAL 32 CO 0.09 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1b6l s ILE 33 N 1.14 3.36 0.68 2.22 -1.09 0.98 -0.93 121.20 127.56 1b6l s ILE 33 Ca 0.00 -1.07 -0.17 0.00 -2.23 0.00 0.00 60.65 57.18 1b6l s ILE 33 Cb -0.14 -2.50 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1b6l s ILE 33 CO -0.08 0.26 1.26 -1.84 -1.23 0.00 0.00 174.94 173.31 1b6l n GLU 34 N 1.18 0.91 -1.68 2.79 0.28 -1.26 -1.39 120.64 121.47 1b6l n GLU 34 Ca -0.15 0.37 -0.56 0.00 -0.16 0.00 0.00 57.16 56.66 1b6l n GLU 34 Cb 0.52 -2.50 -0.07 0.00 1.43 0.00 0.00 31.44 30.83 1b6l n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1b6l n GLU 35 N -2.16 1.17 -3.92 3.44 1.02 -1.17 -4.61 120.64 114.41 1b6l n GLU 35 Ca 0.15 0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 1b6l n GLU 35 Cb 0.48 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1b6l n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b6l s MET 36 N 2.83 1.71 -0.43 3.49 0.23 -1.26 -5.03 119.30 120.83 1b6l s MET 36 Ca 0.95 -1.12 -0.20 0.00 -1.03 0.00 0.00 55.69 54.29 1b6l s MET 36 Cb -1.04 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 32.84 1b6l s MET 36 CO 0.61 -0.76 0.63 -0.80 -2.03 0.00 0.00 175.02 172.67 1b6l s ASN 37 N -2.97 6.32 -0.05 -1.18 0.01 -1.26 -5.05 114.94 110.76 1b6l s ASN 37 Ca 0.16 -0.32 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 1b6l s ASN 37 Cb -0.04 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 1b6l s ASN 37 CO 0.08 -0.75 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.00 1b6l s LEU 38 N 2.77 2.66 0.77 0.60 1.43 -1.26 -5.02 118.68 120.63 1b6l s LEU 38 Ca 0.22 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1b6l s LEU 38 Cb -0.14 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1b6l s LEU 38 CO 0.18 0.33 1.09 -2.16 0.23 0.00 0.00 176.35 176.02 1b6l s PRO 39 N -0.65 2.32 0.00 1.29 0.04 -1.26 -4.91 135.00 131.83 1b6l s PRO 39 Ca 0.10 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1b6l s PRO 39 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1b6l s PRO 39 CO 0.01 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1b6l n GLY 40 N -1.31 -0.15 3.88 0.56 0.00 -1.26 -5.00 105.19 101.92 1b6l n GLY 40 Ca 0.09 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1b6l n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6l s LYS 41 N -1.50 3.68 0.03 1.61 -0.14 -1.26 -5.10 119.74 117.06 1b6l s LYS 41 Ca 0.00 0.45 -0.00 0.00 -1.36 0.00 0.00 55.97 55.06 1b6l s LYS 41 Cb 0.00 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1b6l s LYS 41 CO 0.00 -0.19 -0.03 1.67 -0.76 0.00 0.00 175.35 176.04 1b6l s TRP 42 N -2.64 0.35 -0.04 3.18 1.48 -1.26 -4.59 118.94 115.42 1b6l s TRP 42 Ca 0.51 -0.66 0.07 0.00 -1.06 0.00 0.00 56.10 54.95 1b6l s TRP 42 Cb -0.10 -0.25 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 1b6l s TRP 42 CO 0.39 -0.23 -0.25 0.15 -4.06 0.00 0.00 176.95 172.96 1b6l s LYS 43 N -2.09 2.36 0.49 3.25 -0.14 -0.82 -4.88 119.74 117.91 1b6l s LYS 43 Ca -0.10 -0.90 -0.23 0.00 -1.36 0.00 0.00 55.97 53.37 1b6l s LYS 43 Cb -0.05 -2.13 -0.07 0.00 -1.68 0.00 0.00 37.83 33.90 1b6l s LYS 43 CO -0.03 0.47 1.34 -2.14 -0.76 0.00 0.00 175.35 174.23 1b6l s PRO 44 N -0.39 3.50 0.15 -1.68 0.02 -1.26 -0.81 135.00 134.53 1b6l s PRO 44 Ca 0.03 2.20 -0.17 0.00 0.02 0.00 0.00 61.00 63.09 1b6l s PRO 44 Cb -0.12 -2.46 0.03 0.00 0.02 0.00 0.00 34.50 31.98 1b6l s PRO 44 CO 0.01 -0.89 0.44 0.15 -0.33 0.00 0.00 177.00 176.38 1b6l s LYS 45 N -2.66 1.18 -0.07 5.54 1.02 -0.22 -4.84 119.74 119.69 1b6l s LYS 45 Ca 0.65 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.91 1b6l s LYS 45 Cb -0.39 0.49 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1b6l s LYS 45 CO 0.48 -0.48 -0.13 -1.64 -0.92 0.00 0.00 175.35 172.66 1b6l s MET 46 N -3.83 1.79 0.17 1.68 -1.94 -1.26 0.12 119.30 116.03 1b6l s MET 46 Ca 0.05 -0.46 0.07 0.00 -1.71 0.00 0.00 55.69 53.64 1b6l s MET 46 Cb 0.01 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.34 1b6l s MET 46 CO -0.09 0.05 -0.15 0.96 -0.01 0.00 0.00 175.02 175.79 1b6l s ILE 47 N 0.59 1.57 0.20 2.53 -4.36 -0.80 -4.95 121.20 115.98 1b6l s ILE 47 Ca -0.14 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.36 1b6l s ILE 47 Cb -0.16 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1b6l s ILE 47 CO 0.04 -0.50 -0.12 -0.83 0.24 0.00 0.00 174.94 173.77 1b6l s GLY 48 N -2.91 1.73 0.00 6.27 0.00 -1.26 -1.10 107.32 110.05 1b6l s GLY 48 Ca 0.16 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1b6l s GLY 48 CO 0.05 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.18 1b6l n GLY 49 N -0.05 4.76 3.73 0.20 0.00 -0.41 -4.99 105.19 108.43 1b6l n GLY 49 Ca -0.10 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 1b6l n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b6l s ILE 50 N -1.19 4.12 0.00 -0.61 1.10 -1.26 -3.21 121.20 120.15 1b6l s ILE 50 Ca 0.00 1.81 0.00 0.00 -0.51 0.00 0.00 60.65 61.95 1b6l s ILE 50 Cb 0.00 -4.15 0.00 0.00 0.15 0.00 0.00 42.46 38.46 1b6l s ILE 50 CO 0.00 0.30 0.00 0.61 -2.11 0.00 0.00 174.94 173.74 1b6l n GLY 51 N 2.12 3.03 0.00 1.50 0.00 -1.26 -4.98 105.19 105.60 1b6l n GLY 51 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1b6l n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6l n GLY 52 N 0.00 0.27 3.90 -0.02 0.00 -1.20 -5.12 105.19 103.02 1b6l n GLY 52 Ca 0.00 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1b6l n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6l s PHE 53 N -2.66 3.54 0.11 1.61 0.40 -1.26 -1.29 117.98 118.43 1b6l s PHE 53 Ca 0.00 0.48 0.03 0.00 -0.60 0.00 0.00 56.93 56.84 1b6l s PHE 53 Cb 0.00 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1b6l s PHE 53 CO 0.00 0.57 -0.09 0.96 0.70 0.00 0.00 175.22 177.36 1b6l s ILE 54 N -1.43 0.94 -0.13 0.64 -4.36 -0.26 -4.98 121.20 111.62 1b6l s ILE 54 Ca 0.32 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.74 1b6l s ILE 54 Cb -0.13 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 1b6l s ILE 54 CO 0.21 -0.70 0.30 -0.54 0.24 0.00 0.00 174.94 174.45 1b6l s LYS 55 N -3.35 4.13 0.24 0.37 1.02 -1.26 -1.90 119.74 118.98 1b6l s LYS 55 Ca 0.10 0.13 0.02 0.00 0.02 0.00 0.00 55.97 56.24 1b6l s LYS 55 Cb 0.01 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1b6l s LYS 55 CO -0.01 0.35 0.04 0.14 -0.92 0.00 0.00 175.35 174.96 1b6l s VAL 56 N 0.11 0.76 -0.24 3.17 -7.23 0.12 -4.54 120.40 112.55 1b6l s VAL 56 Ca 0.18 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 1b6l s VAL 56 Cb -0.13 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1b6l s VAL 56 CO 0.05 -0.20 0.10 -0.13 -0.31 0.00 0.00 175.10 174.61 1b6l s ARG 57 N -3.95 3.82 -0.29 4.82 0.52 0.61 -1.06 118.95 123.42 1b6l s ARG 57 Ca 0.32 -0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 1b6l s ARG 57 Cb 0.07 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 1b6l s ARG 57 CO 0.10 -0.06 0.45 -1.14 0.02 0.00 0.00 175.30 174.67 1b6l s GLN 58 N 1.30 3.92 -0.13 3.54 0.74 0.01 -0.84 119.66 128.21 1b6l s GLN 58 Ca 0.06 0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.52 1b6l s GLN 58 Cb -0.15 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1b6l s GLN 58 CO 0.05 -0.39 -0.11 0.71 -0.55 0.00 0.00 175.29 174.99 1b6l s TYR 59 N 2.21 2.85 0.28 1.67 1.51 -0.65 -1.95 117.35 123.27 1b6l s TYR 59 Ca 0.17 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1b6l s TYR 59 Cb -0.16 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1b6l s TYR 59 CO 0.10 -0.14 0.35 -0.51 -1.11 0.00 0.00 175.55 174.25 1b6l s ASP 60 N 0.24 5.94 -1.58 2.29 1.01 -1.26 -1.05 116.67 122.26 1b6l s ASP 60 Ca -0.08 -0.13 -0.07 0.00 0.71 0.00 0.00 52.55 52.98 1b6l s ASP 60 Cb -0.15 -1.49 0.06 0.00 1.01 0.00 0.00 42.92 42.35 1b6l s ASP 60 CO 0.05 -0.19 0.35 0.00 0.21 0.00 0.00 175.17 175.58 1b6l n GLN 61 N -1.42 -2.01 -3.38 8.23 3.00 -1.21 -4.89 117.38 115.70 1b6l n GLN 61 Ca -0.06 0.24 -0.38 0.00 -0.01 0.00 0.00 57.00 56.80 1b6l n GLN 61 Cb 0.58 -4.29 -0.07 0.00 0.00 0.00 0.00 30.24 26.46 1b6l n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1b6l s ILE 62 N -3.91 5.20 0.06 5.09 -1.09 -0.07 -4.70 121.20 121.78 1b6l s ILE 62 Ca 0.24 0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 59.09 1b6l s ILE 62 Cb -0.14 -3.74 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1b6l s ILE 62 CO 0.96 0.26 1.31 -2.84 -1.23 0.00 0.00 174.94 173.40 1b6l s PRO 63 N 1.23 4.36 -0.05 2.79 0.02 -1.26 -1.42 135.00 140.66 1b6l s PRO 63 Ca 0.20 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1b6l s PRO 63 Cb -0.15 -3.38 0.02 0.00 0.02 0.00 0.00 34.50 31.02 1b6l s PRO 63 CO 0.08 -0.40 -0.03 0.08 -0.33 0.00 0.00 177.00 176.40 1b6l s VAL 64 N 1.45 0.43 -0.32 3.83 1.01 0.16 -4.45 120.40 122.50 1b6l s VAL 64 Ca 0.62 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 1b6l s VAL 64 Cb -0.32 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1b6l s VAL 64 CO 0.28 0.21 0.17 -0.70 0.00 0.00 0.00 175.10 175.07 1b6l s GLU 65 N 1.15 3.34 -0.38 2.72 2.12 -0.62 -1.06 118.70 125.96 1b6l s GLU 65 Ca -0.08 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.59 1b6l s GLU 65 Cb -0.14 -3.61 0.53 0.00 0.26 0.00 0.00 34.13 31.17 1b6l s GLU 65 CO -0.01 -0.43 1.62 -0.89 -0.54 0.00 0.00 175.26 175.00 1b6l n ILE 66 N 5.00 2.86 0.00 -3.70 5.41 -1.26 -1.08 119.36 126.59 1b6l n ILE 66 Ca -0.14 -2.79 0.00 0.00 1.00 0.00 0.00 62.75 60.82 1b6l n ILE 66 Cb 0.49 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1b6l n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b6l n GLY 68 N -1.05 0.00 3.77 7.39 0.00 -1.26 -4.70 105.19 109.33 1b6l n GLY 68 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 1b6l n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b6l s HIS 69 N 0.00 3.46 0.20 1.61 4.02 -1.26 -5.08 115.29 118.24 1b6l s HIS 69 Ca 0.00 0.40 -0.26 0.00 1.02 0.00 0.00 55.06 56.22 1b6l s HIS 69 Cb 0.00 -2.11 -0.08 0.00 -1.02 0.00 0.00 32.58 29.36 1b6l s HIS 69 CO 0.00 0.41 0.83 -1.59 1.02 0.00 0.00 174.74 175.40 1b6l s LYS 70 N -0.00 4.63 -0.06 1.40 0.00 -1.26 -4.32 119.74 120.12 1b6l s LYS 70 Ca 0.10 1.24 -0.13 0.00 0.00 0.00 0.00 55.97 57.18 1b6l s LYS 70 Cb -0.11 -3.21 0.02 0.00 0.00 0.00 0.00 37.83 34.53 1b6l s LYS 70 CO -0.00 0.53 0.30 0.00 0.00 0.00 0.00 175.35 176.18 1b6l s ALA 71 N -1.21 -0.75 -0.17 0.59 0.00 -0.22 -4.67 121.76 115.33 1b6l s ALA 71 Ca 0.38 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1b6l s ALA 71 Cb -0.23 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.76 1b6l s ALA 71 CO 0.27 -0.21 0.04 0.42 0.00 0.00 0.00 175.76 176.29 1b6l s ILE 72 N -0.67 0.38 0.00 0.00 1.01 -1.26 0.35 121.20 121.02 1b6l s ILE 72 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1b6l s ILE 72 Cb -0.04 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1b6l s ILE 72 CO 0.02 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1b6l n GLY 73 N 5.11 1.70 3.71 6.18 0.00 -0.51 -4.78 105.19 116.60 1b6l n GLY 73 Ca -0.08 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1b6l n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6l s THR 74 N -2.64 3.88 -0.11 2.61 2.01 -1.26 -0.89 115.64 119.23 1b6l s THR 74 Ca 0.00 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1b6l s THR 74 Cb 0.00 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1b6l s THR 74 CO 0.00 0.08 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.18 1b6l s VAL 75 N 1.30 1.44 -0.15 3.82 1.01 -0.21 -4.50 120.40 123.10 1b6l s VAL 75 Ca 0.60 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1b6l s VAL 75 Cb -0.31 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1b6l s VAL 75 CO 0.28 0.43 0.25 -0.76 0.00 0.00 0.00 175.10 175.30 1b6l s LEU 76 N 1.07 4.27 -0.18 3.92 1.43 0.19 -1.63 118.68 127.75 1b6l s LEU 76 Ca -0.05 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1b6l s LEU 76 Cb -0.15 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1b6l s LEU 76 CO -0.03 0.17 -0.07 -0.69 0.23 0.00 0.00 176.35 175.96 1b6l s VAL 77 N 0.16 3.32 0.04 -1.59 1.01 -0.02 -0.01 120.40 123.31 1b6l s VAL 77 Ca 0.15 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1b6l s VAL 77 Cb -0.13 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1b6l s VAL 77 CO 0.03 0.47 0.90 0.61 0.00 0.00 0.00 175.10 177.10 1b6l n GLY 78 N 4.23 0.49 3.13 4.51 0.00 -0.49 -0.29 105.19 116.77 1b6l n GLY 78 Ca -0.18 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1b6l n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b6l n PRO 79 N -0.64 1.56 -3.82 1.61 -0.04 -1.26 -3.01 135.00 129.39 1b6l n PRO 79 Ca 0.01 -1.92 -0.34 0.00 -0.04 0.00 0.00 63.50 61.21 1b6l n PRO 79 Cb 0.44 -2.99 -0.05 0.00 -0.04 0.00 0.00 33.50 30.86 1b6l n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1b6l s THR 80 N 5.40 5.35 0.48 0.52 -1.32 -1.26 -5.00 115.64 119.81 1b6l s THR 80 Ca 0.58 -0.01 0.14 0.00 -1.21 0.00 0.00 61.69 61.19 1b6l s THR 80 Cb 0.13 -3.56 0.24 0.00 -1.51 0.00 0.00 72.50 67.80 1b6l s THR 80 CO 0.11 0.31 2.09 -0.65 -2.21 0.00 0.00 174.62 174.27 1b6l h PRO 81 N 3.76 0.08 -2.87 7.08 0.11 -1.98 -3.45 132.00 134.73 1b6l h PRO 81 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1b6l h PRO 81 Cb 1.19 -0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1b6l h PRO 81 CO 0.68 0.11 -0.03 0.54 -0.21 0.00 0.00 178.00 179.09 1b6l s VAL 82 N -5.00 0.04 0.03 3.15 0.11 -1.26 -5.11 120.40 112.36 1b6l s VAL 82 Ca -0.05 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1b6l s VAL 82 Cb 0.17 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 1b6l s VAL 82 CO 0.69 -0.19 1.31 0.20 -3.33 0.00 0.00 175.10 173.78 1b6l s ASN 83 N -1.94 6.94 -0.02 3.54 0.01 -1.26 -4.78 114.94 117.44 1b6l s ASN 83 Ca -0.06 2.08 0.06 0.00 -0.71 0.00 0.00 52.86 54.23 1b6l s ASN 83 Cb -0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1b6l s ASN 83 CO -0.01 -0.62 -0.19 0.27 -1.51 0.00 0.00 177.10 175.04 1b6l s ILE 84 N 1.79 1.49 -0.33 0.60 -4.36 -0.11 -0.04 121.20 120.24 1b6l s ILE 84 Ca 0.61 -0.81 -0.10 0.00 -0.26 0.00 0.00 60.65 60.09 1b6l s ILE 84 Cb -0.31 -1.25 -0.00 0.00 1.25 0.00 0.00 42.46 42.15 1b6l s ILE 84 CO 0.27 0.42 0.18 -0.63 0.24 0.00 0.00 174.94 175.42 1b6l s ILE 85 N -0.41 4.73 0.40 8.37 -1.09 0.81 -2.00 121.20 132.01 1b6l s ILE 85 Ca 0.07 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1b6l s ILE 85 Cb -0.08 -3.45 0.08 0.00 -1.58 0.00 0.00 42.46 37.43 1b6l s ILE 85 CO -0.01 0.00 0.55 0.61 -1.23 0.00 0.00 174.94 174.87 1b6l n GLY 86 N 5.01 0.90 0.31 6.18 0.00 -1.20 -0.86 105.19 115.52 1b6l n GLY 86 Ca -0.13 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.00 1b6l n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b6l h ARG 87 N 0.00 0.00 -0.73 1.61 3.08 -0.87 -1.33 114.38 116.14 1b6l h ARG 87 Ca -0.18 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.88 1b6l h ARG 87 Cb 0.70 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1b6l h ARG 87 CO 0.21 0.00 0.48 -2.95 -1.07 0.00 0.00 179.97 176.64 1b6l h ASN 88 N 0.00 0.81 0.20 7.04 -1.07 -1.77 -2.22 115.58 118.57 1b6l h ASN 88 Ca 0.08 -0.02 -0.34 0.00 0.07 0.00 0.00 56.30 56.09 1b6l h ASN 88 Cb 0.34 -0.20 -0.06 0.00 -2.07 0.00 0.00 38.32 36.33 1b6l h ASN 88 CO -0.00 0.58 -2.10 0.18 0.07 0.00 0.00 177.43 176.15 1b6l n LEU 89 N -4.44 0.58 -0.21 6.14 4.77 -0.85 -4.15 117.00 118.84 1b6l n LEU 89 Ca 0.08 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1b6l n LEU 89 Cb 0.07 0.25 0.24 0.00 -2.33 0.00 0.00 43.42 41.64 1b6l n LEU 89 CO 0.36 0.49 1.21 -0.07 -1.33 0.00 0.00 177.39 178.04 1b6l h LEU 90 N 0.00 0.86 -1.15 2.23 3.38 -1.13 -1.74 115.31 117.76 1b6l h LEU 90 Ca -0.44 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1b6l h LEU 90 Cb 2.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1b6l h LEU 90 CO 0.05 0.65 -0.32 0.71 0.09 0.00 0.00 178.44 179.61 1b6l h THR 91 N 0.99 1.26 -0.16 0.22 1.35 -1.58 -2.80 112.91 112.20 1b6l h THR 91 Ca 0.26 -1.25 -0.08 0.00 -0.55 0.00 0.00 66.41 64.79 1b6l h THR 91 Cb -0.06 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1b6l h THR 91 CO -0.05 0.37 -0.26 1.56 -0.25 0.00 0.00 175.52 176.89 1b6l h GLN 92 N 0.16 0.29 -0.48 4.72 4.20 -1.48 -2.52 115.11 120.01 1b6l h GLN 92 Ca 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1b6l h GLN 92 Cb 0.65 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1b6l h GLN 92 CO 0.05 0.54 0.00 0.44 -0.67 0.00 0.00 178.83 179.19 1b6l n ILE 93 N -4.15 0.63 -1.82 2.54 -5.35 -1.10 -4.96 119.36 105.15 1b6l n ILE 93 Ca -0.01 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1b6l n ILE 93 Cb 0.38 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1b6l n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b6l n GLY 94 N 1.36 -4.88 0.00 3.28 0.00 -0.95 -5.10 105.19 98.90 1b6l n GLY 94 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1b6l n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6l n THR 96 N 1.27 0.00 -4.00 2.61 -2.24 -1.26 -5.02 114.28 105.64 1b6l n THR 96 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1b6l n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1b6l n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6l s LEU 97 N 0.00 3.98 0.02 3.22 1.43 -1.26 -5.10 118.68 120.97 1b6l s LEU 97 Ca 0.00 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1b6l s LEU 97 Cb 0.00 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1b6l s LEU 97 CO 0.00 0.27 -0.09 0.20 0.23 0.00 0.00 176.35 176.96 1b6l s ASN 98 N -0.19 1.04 0.00 2.29 0.01 -1.26 -5.29 114.94 111.54 1b6l s ASN 98 Ca 0.08 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1b6l s ASN 98 Cb -0.12 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1b6l s ASN 98 CO 0.01 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.81