#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lac s PHE 2 N 0.00 0.78 0.00 0.00 2.19 0.81 -4.88 117.98 116.89 1lac s PHE 2 Ca 0.00 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.02 1lac s PHE 2 Cb 0.00 -0.78 0.00 0.00 -1.31 0.00 0.00 43.02 40.93 1lac s PHE 2 CO 0.00 -0.28 0.00 0.39 1.83 0.00 0.00 175.22 177.16 1lac n GLU 3 N 4.61 1.17 -0.06 10.12 4.71 -1.26 -0.48 120.64 139.44 1lac n GLU 3 Ca -0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 56.92 1lac n GLU 3 Cb 0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.87 1lac n GLU 3 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1lac n PHE 4 N -0.95 0.00 -4.45 -0.32 7.35 -1.25 -4.84 117.46 113.00 1lac n PHE 4 Ca 0.00 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.47 1lac n PHE 4 Cb 0.00 -0.49 -0.10 0.00 0.35 0.00 0.00 39.48 39.24 1lac n PHE 4 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1lac s LYS 5 N -2.25 1.71 0.43 -4.13 -0.14 -1.26 -5.07 119.74 109.02 1lac s LYS 5 Ca -0.12 -1.98 0.05 0.00 -1.36 0.00 0.00 55.97 52.56 1lac s LYS 5 Cb 0.04 -0.67 0.05 0.00 -1.68 0.00 0.00 37.83 35.56 1lac s LYS 5 CO 0.34 -0.31 0.39 1.28 -0.76 0.00 0.00 175.35 176.29 1lac n LEU 6 N -0.73 0.00 -4.43 3.17 4.77 -1.26 -4.93 117.00 113.60 1lac n LEU 6 Ca -0.03 -2.15 -0.11 0.00 -0.03 0.00 0.00 56.01 53.69 1lac n LEU 6 Cb 0.66 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1lac n LEU 6 CO 0.39 -0.55 1.11 -2.65 -1.33 0.00 0.00 177.39 174.36 1lac n PRO 7 N -1.61 0.11 0.00 3.23 -0.02 -1.26 -4.44 135.00 131.01 1lac n PRO 7 Ca 0.02 -1.12 0.00 0.00 -2.02 0.00 0.00 63.50 60.38 1lac n PRO 7 Cb 0.48 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1lac n PRO 7 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1lac n ASP 8 N 15.48 0.00 -3.83 2.55 -0.08 -1.26 -4.96 116.55 124.44 1lac n ASP 8 Ca 0.33 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.31 1lac n ASP 8 Cb 0.46 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.86 1lac n ASP 8 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1lac n ILE 9 N -0.52 0.00 0.00 5.18 -5.35 -1.26 -4.81 119.36 112.59 1lac n ILE 9 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1lac n ILE 9 Cb 0.00 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 1lac n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lac n GLY 10 N -0.88 1.34 3.80 3.28 0.00 -1.26 -4.99 105.19 106.47 1lac n GLY 10 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1lac n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lac s GLU 11 N 3.42 3.21 0.00 1.61 2.02 -1.26 -4.54 118.70 123.15 1lac s GLU 11 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1lac s GLU 11 Cb 0.00 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1lac s GLU 11 CO 0.00 0.72 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1lac n GLY 12 N 1.76 2.14 2.51 -1.39 0.00 -1.26 -4.82 105.19 104.13 1lac n GLY 12 Ca -0.17 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1lac n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lac s ILE 13 N 0.00 0.64 -2.11 -0.61 -1.09 -1.26 -4.96 121.20 111.80 1lac s ILE 13 Ca 0.00 -2.45 0.15 0.00 -2.23 0.00 0.00 60.65 56.12 1lac s ILE 13 Cb 0.00 -1.45 0.36 0.00 -1.58 0.00 0.00 42.46 39.79 1lac s ILE 13 CO 0.00 -1.08 1.39 0.00 -1.23 0.00 0.00 174.94 174.01 1lac n HIS 14 N 3.28 0.30 -4.41 3.97 1.44 -1.26 -4.88 115.22 113.66 1lac n HIS 14 Ca 0.20 -0.15 -0.19 0.00 -2.01 0.00 0.00 57.72 55.57 1lac n HIS 14 Cb 0.41 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.48 1lac n HIS 14 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1lac n GLU 15 N 0.29 0.98 -3.58 -1.40 0.00 -1.26 -1.49 120.64 114.18 1lac n GLU 15 Ca 0.13 -2.31 -0.25 0.00 0.00 0.00 0.00 57.16 54.73 1lac n GLU 15 Cb 0.27 0.90 -0.16 0.00 0.00 0.00 0.00 31.44 32.45 1lac n GLU 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1lac s GLY 16 N -2.71 0.29 -0.92 -1.84 0.00 0.23 -4.88 107.32 97.48 1lac s GLY 16 Ca 0.06 -0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.34 1lac s GLY 16 CO 0.04 1.86 1.03 1.85 0.00 0.00 0.00 173.10 177.89 1lac s GLU 17 N 2.17 3.65 -0.52 2.90 2.12 -1.25 -0.67 118.70 127.11 1lac s GLU 17 Ca 0.04 -2.08 -0.25 0.00 0.36 0.00 0.00 54.97 53.03 1lac s GLU 17 Cb -0.16 -4.76 0.03 0.00 0.26 0.00 0.00 34.13 29.50 1lac s GLU 17 CO -0.13 -1.60 0.98 0.42 -0.54 0.00 0.00 175.26 174.39 1lac s ILE 18 N 1.69 4.35 -0.16 -3.70 1.01 -1.24 -1.09 121.20 122.07 1lac s ILE 18 Ca 0.29 0.58 -0.18 0.00 0.00 0.00 0.00 60.65 61.33 1lac s ILE 18 Cb -0.06 -4.53 -0.15 0.00 0.01 0.00 0.00 42.46 37.72 1lac s ILE 18 CO -0.09 -1.05 0.28 0.58 0.00 0.00 0.00 174.94 174.67 1lac h VAL 19 N 6.07 0.88 -3.63 2.92 2.07 -1.60 -0.01 116.25 122.95 1lac h VAL 19 Ca -0.25 -1.83 -0.29 0.00 0.82 0.00 0.00 66.70 65.15 1lac h VAL 19 Cb 1.07 1.84 -0.15 0.00 -1.52 0.00 0.00 31.29 32.53 1lac h VAL 19 CO 1.08 0.30 -0.68 -0.75 0.02 0.00 0.00 177.57 177.54 1lac s LYS 20 N -2.16 1.05 0.29 1.57 2.20 -0.96 -3.89 119.74 117.84 1lac s LYS 20 Ca -0.19 -1.48 0.05 0.00 -0.36 0.00 0.00 55.97 54.00 1lac s LYS 20 Cb 0.01 -0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 35.89 1lac s LYS 20 CO 0.46 -0.04 -0.01 -1.58 -0.36 0.00 0.00 175.35 173.81 1lac s TRP 21 N -3.54 1.91 0.00 4.03 0.52 -1.26 -0.08 118.94 120.52 1lac s TRP 21 Ca 0.19 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.50 1lac s TRP 21 Cb 0.05 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.22 1lac s TRP 21 CO 0.01 0.15 0.00 1.19 0.02 0.00 0.00 176.95 178.33 1lac n PHE 22 N -0.60 0.00 -3.09 -1.98 3.01 -0.55 -4.91 117.46 109.34 1lac n PHE 22 Ca -0.04 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.22 1lac n PHE 22 Cb 0.64 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.15 1lac n PHE 22 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1lac s VAL 23 N -1.86 2.45 0.13 -4.37 -7.23 -1.26 -5.06 120.40 103.20 1lac s VAL 23 Ca 0.00 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1lac s VAL 23 Cb 0.00 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1lac s VAL 23 CO 0.00 0.00 -0.17 -1.59 -0.31 0.00 0.00 175.10 173.03 1lac s LYS 24 N -4.51 1.11 0.09 4.82 0.00 -1.26 -5.11 119.74 114.88 1lac s LYS 24 Ca 0.57 -1.25 -0.30 0.00 0.00 0.00 0.00 55.97 54.99 1lac s LYS 24 Cb -0.07 -1.15 -0.06 0.00 0.00 0.00 0.00 37.83 36.55 1lac s LYS 24 CO 0.36 0.24 1.16 -1.25 0.00 0.00 0.00 175.35 175.86 1lac s PRO 25 N -2.44 4.48 0.00 1.78 0.04 -1.26 -3.58 135.00 134.02 1lac s PRO 25 Ca 0.09 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1lac s PRO 25 Cb -0.07 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1lac s PRO 25 CO 0.04 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1lac n GLY 26 N 2.87 0.89 3.85 0.56 0.00 0.13 -4.97 105.19 108.52 1lac n GLY 26 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1lac n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lac n ASP 27 N 0.00 0.84 -4.55 1.61 -0.08 -1.23 -4.78 116.55 108.36 1lac n ASP 27 Ca 0.00 -1.87 -0.38 0.00 -1.51 0.00 0.00 54.79 51.04 1lac n ASP 27 Cb 0.00 -0.79 -0.11 0.00 2.34 0.00 0.00 41.12 42.55 1lac n ASP 27 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1lac s GLU 28 N -5.42 3.87 0.29 -0.67 0.41 -1.26 -1.89 118.70 114.02 1lac s GLU 28 Ca 0.70 -0.37 0.07 0.00 -0.41 0.00 0.00 54.97 54.96 1lac s GLU 28 Cb -0.03 -3.56 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 1lac s GLU 28 CO 0.47 -0.18 0.28 0.54 -0.49 0.00 0.00 175.26 175.88 1lac s VAL 29 N 1.70 4.19 0.00 2.63 0.11 -0.29 -4.99 120.40 123.74 1lac s VAL 29 Ca 0.07 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1lac s VAL 29 Cb -0.16 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1lac s VAL 29 CO 0.09 -0.27 0.00 -3.20 -3.33 0.00 0.00 175.10 168.39 1lac n ASN 30 N -1.32 0.00 -2.59 3.54 5.15 -1.26 -3.46 115.26 115.32 1lac n ASN 30 Ca -0.05 -0.10 -0.27 0.00 -0.60 0.00 0.00 54.58 53.56 1lac n ASN 30 Cb 0.58 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 1lac n ASN 30 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1lac n GLU 31 N -0.10 3.38 0.00 1.20 4.07 -1.26 -3.53 120.64 124.40 1lac n GLU 31 Ca 0.00 -4.59 0.00 0.00 -0.06 0.00 0.00 57.16 52.51 1lac n GLU 31 Cb 0.00 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 1lac n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1lac n ASP 32 N -0.42 0.00 -3.48 4.31 5.68 -1.26 -4.97 116.55 116.40 1lac n ASP 32 Ca 0.37 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.54 1lac n ASP 32 Cb 0.60 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.59 1lac n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1lac n ASP 33 N 0.00 1.64 -3.24 -1.12 -0.08 -1.26 -4.94 116.55 107.55 1lac n ASP 33 Ca 0.00 -1.92 -0.11 0.00 -1.51 0.00 0.00 54.79 51.26 1lac n ASP 33 Cb 0.00 -0.08 0.01 0.00 2.34 0.00 0.00 41.12 43.38 1lac n ASP 33 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1lac n VAL 34 N -1.32 0.00 0.00 5.18 0.31 -1.26 -3.10 118.33 118.14 1lac n VAL 34 Ca 0.02 -0.92 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1lac n VAL 34 Cb 0.32 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1lac n VAL 34 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1lac n LEU 35 N 0.00 0.00 -4.71 7.52 7.99 -1.15 -4.75 117.00 121.89 1lac n LEU 35 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.70 1lac n LEU 35 Cb 0.27 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.49 1lac n LEU 35 CO 0.16 0.00 -0.25 0.00 -1.51 0.00 0.00 177.39 175.79 1lac s GLU 37 N -3.83 1.60 0.14 0.00 2.12 0.89 -4.03 118.70 115.58 1lac s GLU 37 Ca 0.20 -1.04 0.08 0.00 0.36 0.00 0.00 54.97 54.57 1lac s GLU 37 Cb 0.05 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1lac s GLU 37 CO 0.10 -0.63 -0.13 0.08 -0.54 0.00 0.00 175.26 174.15 1lac s VAL 38 N 1.37 3.11 0.16 3.70 1.01 0.31 -1.58 120.40 128.49 1lac s VAL 38 Ca -0.05 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.51 1lac s VAL 38 Cb -0.19 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1lac s VAL 38 CO -0.07 0.02 -0.09 -1.58 0.00 0.00 0.00 175.10 173.39 1lac s GLN 39 N -2.43 2.11 0.35 2.72 0.74 -0.25 -0.21 119.66 122.70 1lac s GLN 39 Ca 0.22 -1.19 -0.13 0.00 0.05 0.00 0.00 55.36 54.31 1lac s GLN 39 Cb -0.10 -2.22 0.03 0.00 1.10 0.00 0.00 33.01 31.82 1lac s GLN 39 CO 0.13 0.46 0.68 0.54 -0.55 0.00 0.00 175.29 176.55 1lac s ASN 40 N -2.68 0.17 0.00 6.67 4.22 0.12 -3.93 114.94 119.52 1lac s ASN 40 Ca 0.24 -1.13 0.00 0.00 -2.14 0.00 0.00 52.86 49.83 1lac s ASN 40 Cb -0.09 0.77 0.00 0.00 1.28 0.00 0.00 41.25 43.21 1lac s ASN 40 CO 0.15 -1.51 0.00 -0.90 -2.04 0.00 0.00 177.10 172.80 1lac n ASP 41 N -1.20 0.00 0.00 3.54 5.75 -1.26 -2.28 116.55 121.11 1lac n ASP 41 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1lac n ASP 41 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1lac n ASP 41 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lac n LYS 42 N -2.06 2.35 -4.06 0.11 5.02 -1.26 -5.09 118.16 113.16 1lac n LYS 42 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1lac n LYS 42 Cb 0.00 -0.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.73 1lac n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lac s ALA 43 N -0.16 3.61 -0.29 7.82 0.00 -0.96 -5.05 121.76 126.72 1lac s ALA 43 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1lac s ALA 43 Cb 0.00 -1.42 0.09 0.00 0.00 0.00 0.00 23.12 21.79 1lac s ALA 43 CO 0.00 0.57 0.07 0.08 0.00 0.00 0.00 175.76 176.49 1lac s VAL 44 N -1.66 0.98 0.00 0.00 1.01 -1.26 0.16 120.40 119.63 1lac s VAL 44 Ca 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1lac s VAL 44 Cb -0.11 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1lac s VAL 44 CO 0.23 -0.57 0.00 0.52 0.00 0.00 0.00 175.10 175.29 1lac n VAL 45 N 4.82 0.00 -4.64 2.92 0.31 0.71 -4.91 118.33 117.53 1lac n VAL 45 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.01 1lac n VAL 45 Cb 0.43 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.27 1lac n VAL 45 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1lac s GLU 46 N -0.24 2.04 -0.23 5.55 -1.05 -1.26 -0.53 118.70 122.98 1lac s GLU 46 Ca 0.00 -2.25 -0.01 0.00 -0.15 0.00 0.00 54.97 52.56 1lac s GLU 46 Cb 0.00 -1.23 0.07 0.00 -0.44 0.00 0.00 34.13 32.53 1lac s GLU 46 CO 0.00 -0.33 0.01 0.42 0.95 0.00 0.00 175.26 176.31 1lac s ILE 47 N -2.98 0.97 0.14 1.83 1.09 -1.26 -5.01 121.20 115.98 1lac s ILE 47 Ca 0.18 -0.96 -0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1lac s ILE 47 Cb 0.04 -1.43 0.03 0.00 -1.06 0.00 0.00 42.46 40.04 1lac s ILE 47 CO 0.10 -0.26 0.20 -0.81 -0.10 0.00 0.00 174.94 174.07 1lac n PRO 48 N 4.87 -0.10 -3.02 2.79 -0.04 -1.26 -2.93 135.00 135.31 1lac n PRO 48 Ca -0.09 -0.33 -0.40 0.00 -0.04 0.00 0.00 63.50 62.64 1lac n PRO 48 Cb 0.45 -0.19 -0.05 0.00 -0.04 0.00 0.00 33.50 33.67 1lac n PRO 48 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1lac s SER 49 N -1.73 6.99 0.10 3.54 0.01 -1.18 -4.85 113.70 116.59 1lac s SER 49 Ca 0.11 1.19 -0.13 0.00 1.31 0.00 0.00 55.95 58.43 1lac s SER 49 Cb -0.00 -2.42 -0.12 0.00 0.21 0.00 0.00 66.02 63.68 1lac s SER 49 CO 0.08 -0.15 1.35 -0.65 0.41 0.00 0.00 173.24 174.28 1lac h PRO 50 N 6.84 0.78 -4.38 12.44 0.11 -1.95 -3.44 132.00 142.39 1lac h PRO 50 Ca -0.40 -0.54 -0.17 0.00 0.11 0.00 0.00 66.00 65.00 1lac h PRO 50 Cb 1.19 0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 1lac h PRO 50 CO 0.76 1.17 -0.66 0.54 -0.21 0.00 0.00 178.00 179.60 1lac s VAL 51 N -3.98 0.19 0.14 3.15 0.11 -1.26 -5.04 120.40 113.72 1lac s VAL 51 Ca -0.11 -1.88 0.05 0.00 -2.93 0.00 0.00 61.98 57.12 1lac s VAL 51 Cb 0.09 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1lac s VAL 51 CO 0.88 -0.67 0.06 -1.59 -3.33 0.00 0.00 175.10 170.45 1lac s LYS 52 N -3.99 2.68 0.00 1.54 0.00 -1.23 -4.82 119.74 113.92 1lac s LYS 52 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 55.97 55.23 1lac s LYS 52 Cb 0.08 -2.55 0.00 0.00 0.00 0.00 0.00 37.83 35.36 1lac s LYS 52 CO -0.03 0.50 0.00 0.41 0.00 0.00 0.00 175.35 176.23 1lac n GLY 53 N -0.01 -0.74 4.01 0.59 0.00 -1.22 -4.79 105.19 103.04 1lac n GLY 53 Ca -0.09 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1lac n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lac s LYS 54 N -0.91 2.34 -0.52 1.61 2.47 -1.24 -1.14 119.74 122.35 1lac s LYS 54 Ca 0.00 -1.34 0.07 0.00 -1.56 0.00 0.00 55.97 53.14 1lac s LYS 54 Cb 0.00 -2.60 0.33 0.00 -1.46 0.00 0.00 37.83 34.10 1lac s LYS 54 CO 0.00 -0.81 0.84 0.28 0.16 0.00 0.00 175.35 175.83 1lac n VAL 55 N -2.27 1.94 0.00 4.02 0.31 -0.79 -3.71 118.33 117.82 1lac n VAL 55 Ca 0.13 -5.20 0.00 0.00 -0.01 0.00 0.00 64.34 59.26 1lac n VAL 55 Cb 0.61 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1lac n VAL 55 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1lac n LEU 56 N 0.11 0.00 -4.16 7.52 4.77 -1.25 0.22 117.00 124.21 1lac n LEU 56 Ca 0.29 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1lac n LEU 56 Cb 0.47 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1lac n LEU 56 CO 0.31 -0.04 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.37 1lac s GLU 57 N -1.31 0.85 -0.05 3.23 2.02 -1.26 -3.28 118.70 118.89 1lac s GLU 57 Ca 0.00 -1.37 -0.00 0.00 0.02 0.00 0.00 54.97 53.62 1lac s GLU 57 Cb 0.00 -0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.22 1lac s GLU 57 CO 0.00 -0.11 -0.00 0.42 0.02 0.00 0.00 175.26 175.59 1lac s ILE 58 N -3.78 0.32 -0.25 -1.63 1.01 -1.26 -2.75 121.20 112.85 1lac s ILE 58 Ca 0.15 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 1lac s ILE 58 Cb 0.07 -0.43 -0.15 0.00 0.01 0.00 0.00 42.46 41.95 1lac s ILE 58 CO -0.03 0.21 -0.12 0.18 0.00 0.00 0.00 174.94 175.19 1lac n LEU 59 N 4.60 1.92 -4.30 2.97 4.32 0.32 -4.78 117.00 122.04 1lac n LEU 59 Ca -0.17 0.38 -0.35 0.00 -0.02 0.00 0.00 56.01 55.85 1lac n LEU 59 Cb 0.50 -0.88 -0.14 0.00 -1.62 0.00 0.00 43.42 41.28 1lac n LEU 59 CO 0.17 0.44 -0.40 -0.69 -1.22 0.00 0.00 177.39 175.69 1lac s VAL 60 N -2.45 3.25 0.00 4.08 1.01 -1.25 -5.05 120.40 119.99 1lac s VAL 60 Ca -0.35 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1lac s VAL 60 Cb 0.11 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1lac s VAL 60 CO 0.53 0.44 0.00 -0.81 0.00 0.00 0.00 175.10 175.26 1lac n PRO 61 N 4.73 0.00 -3.15 2.72 -0.04 -1.26 -4.79 135.00 133.21 1lac n PRO 61 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 1lac n PRO 61 Cb 0.51 -0.01 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1lac n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1lac n GLU 62 N 0.00 0.87 0.00 0.54 -0.00 -1.26 -4.82 120.64 115.97 1lac n GLU 62 Ca 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 57.16 55.52 1lac n GLU 62 Cb 0.00 0.82 0.00 0.00 -0.00 0.00 0.00 31.44 32.26 1lac n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lac n GLY 63 N 1.06 1.17 4.00 -1.84 0.00 -0.02 -4.90 105.19 104.66 1lac n GLY 63 Ca -0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1lac n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lac s THR 64 N -0.01 2.69 0.11 2.61 2.01 -1.26 -4.94 115.64 116.85 1lac s THR 64 Ca 0.00 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1lac s THR 64 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1lac s THR 64 CO 0.00 0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.27 1lac s VAL 65 N -2.63 4.10 0.30 3.82 1.01 -1.26 -3.62 120.40 122.12 1lac s VAL 65 Ca 0.58 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1lac s VAL 65 Cb -0.09 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1lac s VAL 65 CO 0.37 0.07 -0.11 0.00 0.00 0.00 0.00 175.10 175.42 1lac s ALA 66 N -1.42 2.67 0.00 5.51 0.00 0.16 -4.93 121.76 123.75 1lac s ALA 66 Ca 0.27 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1lac s ALA 66 Cb -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1lac s ALA 66 CO 0.19 0.09 0.00 -2.37 0.00 0.00 0.00 175.76 173.67 1lac n THR 67 N -0.66 0.00 -4.46 0.00 5.66 -1.26 0.76 114.28 114.32 1lac n THR 67 Ca -0.05 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.70 1lac n THR 67 Cb 0.62 -0.29 -0.10 0.00 -1.55 0.00 0.00 70.33 69.02 1lac n THR 67 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1lac s VAL 68 N 1.61 2.55 0.00 1.08 1.01 -0.56 -4.51 120.40 121.58 1lac s VAL 68 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 59.71 1lac s VAL 68 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1lac s VAL 68 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1lac n GLY 69 N -0.72 2.60 3.90 4.51 0.00 -1.26 -4.82 105.19 109.40 1lac n GLY 69 Ca -0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1lac n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lac s GLN 70 N 0.00 3.46 0.39 1.61 0.74 -1.26 -5.08 119.66 119.52 1lac s GLN 70 Ca 0.00 0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.81 1lac s GLN 70 Cb 0.00 -2.26 0.05 0.00 1.10 0.00 0.00 33.01 31.90 1lac s GLN 70 CO 0.00 -0.40 0.43 2.41 -0.55 0.00 0.00 175.29 177.18 1lac n THR 71 N -2.47 0.00 0.02 -0.34 -1.04 -1.26 -4.77 114.28 104.43 1lac n THR 71 Ca 0.03 -1.39 0.00 0.00 -2.04 0.00 0.00 64.05 60.65 1lac n THR 71 Cb 0.55 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1lac n THR 71 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1lac n LEU 72 N 0.00 -0.02 -4.23 -4.42 7.94 -1.26 -4.86 117.00 110.15 1lac n LEU 72 Ca 0.06 0.07 -0.13 0.00 -1.11 0.00 0.00 56.01 54.89 1lac n LEU 72 Cb 0.42 0.06 -0.10 0.00 0.53 0.00 0.00 43.42 44.32 1lac n LEU 72 CO 0.26 -0.54 -0.35 -0.51 -1.11 0.00 0.00 177.39 175.14 1lac s ILE 73 N -1.14 0.72 0.08 1.96 2.07 -1.26 -0.52 121.20 123.10 1lac s ILE 73 Ca 0.00 -1.98 -0.01 0.00 -1.41 0.00 0.00 60.65 57.25 1lac s ILE 73 Cb 0.00 -2.01 -0.04 0.00 0.13 0.00 0.00 42.46 40.54 1lac s ILE 73 CO 0.00 -0.57 -0.01 0.28 -1.91 0.00 0.00 174.94 172.73 1lac s THR 74 N -3.62 0.21 0.03 4.00 -1.32 -1.11 -3.93 115.64 109.91 1lac s THR 74 Ca 0.21 -1.85 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 1lac s THR 74 Cb 0.06 -1.69 -0.02 0.00 -1.51 0.00 0.00 72.50 69.34 1lac s THR 74 CO 0.02 -0.83 -0.10 -0.22 -2.21 0.00 0.00 174.62 171.28 1lac s LEU 75 N -2.97 2.18 -0.12 9.08 0.20 0.36 -3.83 118.68 123.58 1lac s LEU 75 Ca 0.12 -0.43 -0.03 0.00 0.69 0.00 0.00 54.13 54.48 1lac s LEU 75 Cb 0.08 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.43 1lac s LEU 75 CO -0.06 -0.05 -0.03 1.51 -0.29 0.00 0.00 176.35 177.42 1lac s ASP 76 N -1.15 4.90 -0.38 3.68 1.47 -1.24 -0.13 116.67 123.81 1lac s ASP 76 Ca -0.03 -0.04 0.11 0.00 1.18 0.00 0.00 52.55 53.78 1lac s ASP 76 Cb -0.08 -1.60 0.34 0.00 -0.34 0.00 0.00 42.92 41.24 1lac s ASP 76 CO 0.01 0.25 0.76 0.00 0.68 0.00 0.00 175.17 176.87 1lac n ALA 77 N 2.96 1.70 -0.94 2.11 0.00 -1.26 -3.63 120.51 121.46 1lac n ALA 77 Ca -0.18 -3.17 -0.12 0.00 0.00 0.00 0.00 53.44 49.97 1lac n ALA 77 Cb 0.53 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1lac n ALA 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1lac n PRO 78 N 0.39 0.01 0.00 0.00 -0.04 -1.26 -2.15 135.00 131.95 1lac n PRO 78 Ca 0.22 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1lac n PRO 78 Cb 0.65 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1lac n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lac n GLY 79 N 4.32 0.00 0.00 0.55 0.00 -1.26 -5.26 105.19 103.54 1lac n GLY 79 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1lac n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60