#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lab s PHE 2 N 0.00 2.60 0.00 0.00 5.36 -1.26 -4.94 117.98 119.74 1lab s PHE 2 Ca 0.00 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 1lab s PHE 2 Cb 0.00 -1.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 1lab s PHE 2 CO 0.00 0.32 0.00 0.39 -1.46 0.00 0.00 175.22 174.47 1lab n GLU 3 N 1.22 1.93 -0.03 10.12 1.02 -1.26 -4.17 120.64 129.46 1lab n GLU 3 Ca -0.16 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.02 1lab n GLU 3 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.82 1lab n GLU 3 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1lab n PHE 4 N -0.28 0.00 -4.57 -0.32 7.35 -1.25 -4.92 117.46 113.47 1lab n PHE 4 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.42 1lab n PHE 4 Cb 0.00 -0.46 -0.08 0.00 0.35 0.00 0.00 39.48 39.29 1lab n PHE 4 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1lab s LYS 5 N -2.87 1.98 0.52 -4.13 -0.14 -1.26 -5.04 119.74 108.79 1lab s LYS 5 Ca -0.06 -2.22 0.07 0.00 -1.36 0.00 0.00 55.97 52.41 1lab s LYS 5 Cb 0.08 -0.84 0.04 0.00 -1.68 0.00 0.00 37.83 35.43 1lab s LYS 5 CO 0.63 -0.44 0.53 -0.51 -0.76 0.00 0.00 175.35 174.81 1lab s LEU 6 N -3.66 3.03 -0.80 3.17 1.43 -1.26 -4.97 118.68 115.61 1lab s LEU 6 Ca 0.20 -0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 1lab s LEU 6 Cb 0.03 -1.59 -0.18 0.00 0.03 0.00 0.00 46.19 44.47 1lab s LEU 6 CO 0.12 -1.06 1.94 -2.65 0.23 0.00 0.00 176.35 174.93 1lab n PRO 7 N -1.87 0.15 0.00 1.29 -0.02 -1.26 -4.48 135.00 128.81 1lab n PRO 7 Ca 0.05 -1.08 0.00 0.00 -2.02 0.00 0.00 63.50 60.45 1lab n PRO 7 Cb 0.63 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1lab n PRO 7 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1lab n ASP 8 N 15.62 0.00 -2.08 2.55 -0.08 -1.26 -4.96 116.55 126.33 1lab n ASP 8 Ca 0.35 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1lab n ASP 8 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1lab n ASP 8 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1lab n ILE 9 N -0.74 0.00 0.00 5.18 -5.35 -1.26 -4.46 119.36 112.74 1lab n ILE 9 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1lab n ILE 9 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1lab n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lab n GLY 10 N -0.37 -0.17 3.47 3.28 0.00 -1.26 -5.02 105.19 105.12 1lab n GLY 10 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1lab n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lab n GLU 11 N -2.35 0.35 -0.03 1.61 4.71 -1.26 -4.73 120.64 118.93 1lab n GLU 11 Ca 0.00 0.16 0.03 0.00 -0.01 0.00 0.00 57.16 57.34 1lab n GLU 11 Cb 0.00 -1.82 0.06 0.00 -1.01 0.00 0.00 31.44 28.66 1lab n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lab n GLY 12 N 1.65 -0.09 2.74 0.62 0.00 -1.26 -1.07 105.19 107.79 1lab n GLY 12 Ca 0.10 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1lab n GLY 12 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lab n ILE 13 N -3.34 3.42 1.41 -0.61 -0.00 -1.26 -4.81 119.36 114.17 1lab n ILE 13 Ca 0.04 -5.55 0.06 0.00 -0.00 0.00 0.00 62.75 57.30 1lab n ILE 13 Cb 0.13 -1.70 0.24 0.00 -0.00 0.00 0.00 39.64 38.32 1lab n ILE 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lab n HIS 14 N 0.25 0.22 -3.59 1.39 1.44 -0.23 -4.87 115.22 109.83 1lab n HIS 14 Ca 0.32 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1lab n HIS 14 Cb 0.38 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 1lab n HIS 14 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1lab n GLU 15 N 0.02 1.46 -3.45 -1.40 0.28 -1.26 -2.45 120.64 113.83 1lab n GLU 15 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.00 1lab n GLU 15 Cb 0.20 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.97 1lab n GLU 15 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1lab s GLY 16 N -0.59 -0.32 -0.87 -1.84 0.00 0.27 -4.87 107.32 99.10 1lab s GLY 16 Ca 0.00 0.91 -0.09 0.00 0.00 0.00 0.00 44.72 45.55 1lab s GLY 16 CO 0.00 2.49 0.80 1.85 0.00 0.00 0.00 173.10 178.23 1lab s GLU 17 N 2.51 3.51 -0.17 2.90 2.12 -1.26 -1.64 118.70 126.68 1lab s GLU 17 Ca 0.09 -2.81 -0.22 0.00 0.36 0.00 0.00 54.97 52.38 1lab s GLU 17 Cb -0.15 -4.25 -0.02 0.00 0.26 0.00 0.00 34.13 29.97 1lab s GLU 17 CO -0.14 -1.25 0.69 0.42 -0.54 0.00 0.00 175.26 174.44 1lab s ILE 18 N -0.51 4.99 -0.25 -3.70 1.09 -1.25 -0.53 121.20 121.04 1lab s ILE 18 Ca 0.23 1.35 -0.08 0.00 -1.10 0.00 0.00 60.65 61.04 1lab s ILE 18 Cb -0.11 -4.01 -0.12 0.00 -1.06 0.00 0.00 42.46 37.15 1lab s ILE 18 CO -0.08 0.11 -0.29 0.52 -0.10 0.00 0.00 174.94 175.10 1lab n VAL 19 N 4.54 1.38 -4.30 2.92 0.31 -0.01 0.27 118.33 123.44 1lab n VAL 19 Ca 0.00 -0.41 -0.19 0.00 -0.01 0.00 0.00 64.34 63.74 1lab n VAL 19 Cb 0.50 -1.69 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 1lab n VAL 19 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1lab s LYS 20 N -2.47 0.82 0.47 5.55 2.20 -1.10 -4.10 119.74 121.11 1lab s LYS 20 Ca -0.34 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.62 1lab s LYS 20 Cb 0.12 -0.78 0.02 0.00 -1.51 0.00 0.00 37.83 35.67 1lab s LYS 20 CO 0.48 0.19 0.14 0.91 -0.36 0.00 0.00 175.35 176.72 1lab n TRP 21 N 2.04 0.37 0.00 4.03 7.02 -1.26 -1.77 117.44 127.87 1lab n TRP 21 Ca -0.18 -2.18 0.00 0.00 -1.02 0.00 0.00 57.50 54.12 1lab n TRP 21 Cb 0.55 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1lab n TRP 21 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1lab n PHE 22 N -1.34 0.00 -3.15 -5.99 3.01 -1.26 -4.95 117.46 103.78 1lab n PHE 22 Ca -0.12 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.18 1lab n PHE 22 Cb 0.57 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.09 1lab n PHE 22 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1lab n VAL 23 N -1.37 0.00 -0.13 -4.37 0.24 -1.26 -5.01 118.33 106.44 1lab n VAL 23 Ca 0.00 -1.55 -0.19 0.00 -2.04 0.00 0.00 64.34 60.56 1lab n VAL 23 Cb 0.24 -0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 31.95 1lab n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1lab n LYS 24 N -1.92 0.64 -0.72 7.34 4.01 -1.26 -4.78 118.16 121.47 1lab n LYS 24 Ca 0.11 0.16 -0.32 0.00 -0.51 0.00 0.00 58.31 57.75 1lab n LYS 24 Cb 0.47 -1.51 0.14 0.00 -0.51 0.00 0.00 35.03 33.63 1lab n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1lab n PRO 25 N -3.37 -1.40 -1.03 1.97 -0.04 -1.26 -5.06 135.00 124.81 1lab n PRO 25 Ca -0.47 -0.40 -0.23 0.00 -0.04 0.00 0.00 63.50 62.37 1lab n PRO 25 Cb 0.97 -1.54 0.08 0.00 -0.04 0.00 0.00 33.50 32.97 1lab n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lab n GLY 26 N 2.36 4.61 0.00 0.55 0.00 -1.26 -4.88 105.19 106.56 1lab n GLY 26 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1lab n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lab n ASP 27 N -0.34 0.00 -4.48 1.61 2.03 -1.26 -2.06 116.55 112.05 1lab n ASP 27 Ca 0.44 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.33 1lab n ASP 27 Cb 0.80 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.10 1lab n ASP 27 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1lab s GLU 28 N 0.00 3.14 0.32 -0.67 2.02 -1.26 0.81 118.70 123.06 1lab s GLU 28 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.19 1lab s GLU 28 Cb 0.00 -3.93 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 1lab s GLU 28 CO 0.00 -0.67 0.28 0.54 0.02 0.00 0.00 175.26 175.42 1lab s VAL 29 N 1.75 3.74 0.08 2.63 0.11 0.39 -4.98 120.40 124.12 1lab s VAL 29 Ca 0.06 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1lab s VAL 29 Cb -0.18 -3.24 0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1lab s VAL 29 CO 0.11 -0.21 0.11 -0.46 -3.33 0.00 0.00 175.10 171.32 1lab n ASN 30 N -1.34 0.25 -3.32 3.54 6.94 -1.26 -2.35 115.26 117.73 1lab n ASN 30 Ca -0.03 -1.19 -0.27 0.00 -0.02 0.00 0.00 54.58 53.07 1lab n ASN 30 Cb 0.59 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.88 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1lab n GLU 31 N -1.18 2.49 0.00 -3.83 2.13 -1.26 -2.92 120.64 116.07 1lab n GLU 31 Ca 0.02 -4.58 0.00 0.00 0.66 0.00 0.00 57.16 53.26 1lab n GLU 31 Cb 0.08 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1lab n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1lab n ASP 32 N 0.69 0.00 -1.82 4.31 5.68 -1.26 -4.96 116.55 119.18 1lab n ASP 32 Ca 0.29 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.42 1lab n ASP 32 Cb 0.42 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.41 1lab n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1lab n ASP 33 N -0.01 -2.03 -3.22 -1.12 -0.08 -1.26 -4.43 116.55 104.40 1lab n ASP 33 Ca 0.00 0.20 -0.17 0.00 -1.51 0.00 0.00 54.79 53.32 1lab n ASP 33 Cb 0.00 -0.36 0.16 0.00 2.34 0.00 0.00 41.12 43.27 1lab n ASP 33 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1lab n VAL 34 N -0.83 0.00 -2.29 5.18 0.24 -1.26 -0.74 118.33 118.63 1lab n VAL 34 Ca 0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.06 1lab n VAL 34 Cb 0.22 -0.54 0.11 0.00 -1.47 0.00 0.00 33.84 32.15 1lab n VAL 34 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1lab s LEU 35 N 0.00 2.87 0.14 1.34 2.01 -1.24 -2.46 118.68 121.34 1lab s LEU 35 Ca 0.37 0.13 0.07 0.00 0.01 0.00 0.00 54.13 54.70 1lab s LEU 35 Cb -0.07 -2.56 -0.04 0.00 0.01 0.00 0.00 46.19 43.54 1lab s LEU 35 CO 0.31 -1.91 -0.15 0.00 1.01 0.00 0.00 176.35 175.60 1lab s GLU 37 N -2.76 1.86 0.21 0.00 2.02 -0.73 -3.27 118.70 116.02 1lab s GLU 37 Ca 0.12 -1.67 0.10 0.00 0.02 0.00 0.00 54.97 53.53 1lab s GLU 37 Cb -0.05 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1lab s GLU 37 CO 0.04 -0.84 -0.14 0.08 0.02 0.00 0.00 175.26 174.42 1lab s VAL 38 N 1.03 2.89 0.30 2.63 1.01 -1.08 -0.83 120.40 126.35 1lab s VAL 38 Ca 0.04 -1.89 0.11 0.00 0.00 0.00 0.00 61.98 60.23 1lab s VAL 38 Cb -0.20 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1lab s VAL 38 CO -0.06 -0.18 -0.11 -1.58 0.00 0.00 0.00 175.10 173.17 1lab s GLN 39 N -2.96 1.87 0.09 2.72 0.74 0.31 -0.35 119.66 122.08 1lab s GLN 39 Ca 0.25 -1.76 -0.02 0.00 0.05 0.00 0.00 55.36 53.88 1lab s GLN 39 Cb -0.08 -1.83 0.01 0.00 1.10 0.00 0.00 33.01 32.21 1lab s GLN 39 CO 0.14 0.25 0.16 0.27 -0.55 0.00 0.00 175.29 175.56 1lab n ASN 40 N -0.76 -0.45 0.00 6.67 0.23 0.36 -4.10 115.26 117.21 1lab n ASN 40 Ca -0.05 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.59 1lab n ASN 40 Cb 0.61 0.78 0.00 0.00 -2.08 0.00 0.00 39.78 39.09 1lab n ASN 40 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1lab n ASP 41 N -1.50 0.00 0.00 0.53 5.75 -1.26 -3.26 116.55 116.81 1lab n ASP 41 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1lab n ASP 41 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1lab n ASP 41 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lab n LYS 42 N -3.08 2.30 -3.84 0.11 5.02 -1.26 -5.13 118.16 112.27 1lab n LYS 42 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1lab n LYS 42 Cb 0.00 -0.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.80 1lab n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lab s ALA 43 N 0.00 4.21 -0.04 7.82 0.00 -1.20 -5.13 121.76 127.42 1lab s ALA 43 Ca 0.00 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.47 1lab s ALA 43 Cb 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1lab s ALA 43 CO 0.00 -0.35 -0.22 0.08 0.00 0.00 0.00 175.76 175.27 1lab s VAL 44 N -2.67 1.78 0.29 0.00 1.01 -1.26 -0.49 120.40 119.06 1lab s VAL 44 Ca 0.39 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.54 1lab s VAL 44 Cb -0.01 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1lab s VAL 44 CO 0.23 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 175.04 1lab s VAL 45 N -0.19 2.74 -0.09 2.92 1.01 0.53 -4.97 120.40 122.35 1lab s VAL 45 Ca -0.01 -2.18 0.03 0.00 0.00 0.00 0.00 61.98 59.82 1lab s VAL 45 Cb -0.12 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1lab s VAL 45 CO 0.02 -0.34 -0.19 -1.83 0.00 0.00 0.00 175.10 172.76 1lab s GLU 46 N -3.60 2.48 -0.38 2.72 -1.05 -1.26 -2.65 118.70 114.97 1lab s GLU 46 Ca 0.31 -0.68 0.02 0.00 -0.15 0.00 0.00 54.97 54.48 1lab s GLU 46 Cb -0.04 -1.95 0.11 0.00 -0.44 0.00 0.00 34.13 31.81 1lab s GLU 46 CO 0.17 0.09 0.13 0.42 0.95 0.00 0.00 175.26 177.02 1lab s ILE 47 N 0.56 1.78 0.00 1.83 1.09 -1.20 -4.85 121.20 120.40 1lab s ILE 47 Ca -0.15 -2.27 0.00 0.00 -1.10 0.00 0.00 60.65 57.13 1lab s ILE 47 Cb -0.17 -2.29 0.00 0.00 -1.06 0.00 0.00 42.46 38.94 1lab s ILE 47 CO 0.05 -0.70 0.00 -0.81 -0.10 0.00 0.00 174.94 173.38 1lab n PRO 48 N 4.12 -0.04 -3.49 2.79 -0.04 -1.25 -2.88 135.00 134.21 1lab n PRO 48 Ca 0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1lab n PRO 48 Cb 0.39 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.77 1lab n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lab s SER 49 N -1.57 5.86 0.15 3.54 0.15 0.08 -4.70 113.70 117.22 1lab s SER 49 Ca 0.00 -1.58 -0.25 0.00 0.70 0.00 0.00 55.95 54.82 1lab s SER 49 Cb 0.00 -2.08 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1lab s SER 49 CO 0.00 -0.64 1.60 -0.65 1.20 0.00 0.00 173.24 174.74 1lab h PRO 50 N 8.58 -0.32 -4.74 5.44 0.11 -1.92 -3.37 132.00 135.77 1lab h PRO 50 Ca -0.25 0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.59 1lab h PRO 50 Cb 1.09 0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 1lab h PRO 50 CO 0.85 -0.21 -0.63 0.54 -0.21 0.00 0.00 178.00 178.34 1lab s VAL 51 N -5.97 0.38 0.45 3.15 0.11 -1.26 -4.89 120.40 112.38 1lab s VAL 51 Ca -0.15 -1.99 0.04 0.00 -2.93 0.00 0.00 61.98 56.95 1lab s VAL 51 Cb 0.12 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.54 1lab s VAL 51 CO 0.66 -0.14 0.64 -1.59 -3.33 0.00 0.00 175.10 171.34 1lab s LYS 52 N -4.05 2.84 0.00 1.54 -2.85 -1.15 -4.69 119.74 111.39 1lab s LYS 52 Ca 0.34 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 1lab s LYS 52 Cb 0.07 -2.64 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 1lab s LYS 52 CO 0.10 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1lab n GLY 53 N -2.02 0.16 3.61 0.59 0.00 -0.99 -4.56 105.19 101.98 1lab n GLY 53 Ca 0.05 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 1lab n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lab s LYS 54 N -1.17 2.03 -0.49 1.61 2.47 -1.25 -0.46 119.74 122.48 1lab s LYS 54 Ca 0.00 -1.79 0.08 0.00 -1.56 0.00 0.00 55.97 52.70 1lab s LYS 54 Cb 0.00 -1.88 0.36 0.00 -1.46 0.00 0.00 37.83 34.85 1lab s LYS 54 CO 0.00 0.13 0.91 0.28 0.16 0.00 0.00 175.35 176.84 1lab n VAL 55 N -0.92 2.02 0.00 4.02 0.31 0.24 -2.82 118.33 121.18 1lab n VAL 55 Ca -0.04 -5.09 0.00 0.00 -0.01 0.00 0.00 64.34 59.20 1lab n VAL 55 Cb 0.63 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1lab n VAL 55 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1lab n LEU 56 N -0.13 0.00 -4.19 7.52 4.77 -1.25 -4.30 117.00 119.42 1lab n LEU 56 Ca 0.29 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1lab n LEU 56 Cb 0.52 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1lab n LEU 56 CO 0.30 -0.15 -0.33 -1.83 -1.33 0.00 0.00 177.39 174.06 1lab s GLU 57 N -2.23 0.98 0.01 3.23 -1.05 -1.26 -4.98 118.70 113.40 1lab s GLU 57 Ca 0.00 -1.46 0.01 0.00 -0.15 0.00 0.00 54.97 53.37 1lab s GLU 57 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.62 1lab s GLU 57 CO 0.00 -0.16 -0.03 0.42 0.95 0.00 0.00 175.26 176.44 1lab s ILE 58 N -3.80 0.20 -0.07 1.83 1.01 -1.26 -2.48 121.20 116.62 1lab s ILE 58 Ca 0.21 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1lab s ILE 58 Cb 0.07 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1lab s ILE 58 CO 0.01 -0.19 -0.15 0.18 0.00 0.00 0.00 174.94 174.79 1lab n LEU 59 N 2.36 1.15 -3.99 2.97 4.32 0.12 -4.81 117.00 119.11 1lab n LEU 59 Ca -0.17 0.18 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1lab n LEU 59 Cb 0.57 -0.43 -0.08 0.00 -1.62 0.00 0.00 43.42 41.87 1lab n LEU 59 CO 0.23 -0.13 0.26 0.52 -1.22 0.00 0.00 177.39 177.05 1lab n VAL 60 N -3.72 2.71 0.00 4.08 0.31 -1.24 -5.00 118.33 115.47 1lab n VAL 60 Ca -0.15 -5.10 0.00 0.00 -0.01 0.00 0.00 64.34 59.08 1lab n VAL 60 Cb 0.46 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1lab n VAL 60 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1lab n PRO 61 N 2.03 0.00 -4.21 5.55 -0.04 -1.26 -4.90 135.00 132.17 1lab n PRO 61 Ca 0.22 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1lab n PRO 61 Cb 0.37 -0.71 -0.10 0.00 -0.04 0.00 0.00 33.50 33.02 1lab n PRO 61 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1lab s GLU 62 N -0.42 1.25 0.00 0.54 -1.05 -1.26 -4.77 118.70 112.99 1lab s GLU 62 Ca 0.00 -1.66 0.00 0.00 -0.15 0.00 0.00 54.97 53.16 1lab s GLU 62 Cb 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1lab s GLU 62 CO 0.00 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.22 1lab n GLY 63 N -0.30 1.51 4.01 -3.83 0.00 0.14 -4.92 105.19 101.80 1lab n GLY 63 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1lab n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lab s THR 64 N 0.00 2.79 0.00 2.61 2.01 -1.26 -4.96 115.64 116.83 1lab s THR 64 Ca 0.00 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.07 1lab s THR 64 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 1lab s THR 64 CO 0.00 0.00 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.08 1lab s VAL 65 N -2.45 2.94 0.21 3.82 1.01 -1.26 -3.87 120.40 120.80 1lab s VAL 65 Ca 0.57 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1lab s VAL 65 Cb -0.09 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1lab s VAL 65 CO 0.35 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.75 1lab s ALA 66 N -0.85 2.01 0.00 5.51 0.00 -0.65 -4.94 121.76 122.84 1lab s ALA 66 Ca 0.14 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1lab s ALA 66 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1lab s ALA 66 CO 0.04 0.06 0.00 -2.37 0.00 0.00 0.00 175.76 173.48 1lab n THR 67 N -0.38 0.00 -4.42 0.00 5.66 -1.26 0.94 114.28 114.82 1lab n THR 67 Ca -0.08 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.69 1lab n THR 67 Cb 0.60 -0.50 -0.11 0.00 -1.55 0.00 0.00 70.33 68.78 1lab n THR 67 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1lab s VAL 68 N 2.04 2.25 0.00 1.08 1.01 -1.03 -4.56 120.40 121.19 1lab s VAL 68 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.75 1lab s VAL 68 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1lab s VAL 68 CO 0.00 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1lab n GLY 69 N -0.27 2.92 3.71 4.51 0.00 -1.26 -4.79 105.19 110.00 1lab n GLY 69 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1lab n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lab s GLN 70 N -0.05 2.57 0.36 1.61 0.74 -1.26 -5.12 119.66 118.51 1lab s GLN 70 Ca 0.00 -1.11 -0.03 0.00 0.05 0.00 0.00 55.36 54.27 1lab s GLN 70 Cb 0.00 -2.41 0.08 0.00 1.10 0.00 0.00 33.01 31.78 1lab s GLN 70 CO 0.00 0.43 0.48 2.41 -0.55 0.00 0.00 175.29 178.07 1lab n THR 71 N -0.50 0.00 0.13 -0.34 -1.04 -1.26 -4.78 114.28 106.48 1lab n THR 71 Ca -0.08 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1lab n THR 71 Cb 0.56 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1lab n THR 71 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1lab n LEU 72 N 0.00 -1.04 -4.14 -4.42 0.00 -1.26 -4.82 117.00 101.31 1lab n LEU 72 Ca 0.07 0.45 -0.09 0.00 0.00 0.00 0.00 56.01 56.44 1lab n LEU 72 Cb 0.25 1.13 -0.10 0.00 0.00 0.00 0.00 43.42 44.70 1lab n LEU 72 CO 0.17 -0.47 -0.34 -0.51 0.00 0.00 0.00 177.39 176.24 1lab s ILE 73 N -1.70 0.35 0.08 1.96 2.07 -1.26 0.13 121.20 122.82 1lab s ILE 73 Ca 0.00 -1.89 0.01 0.00 -1.41 0.00 0.00 60.65 57.36 1lab s ILE 73 Cb 0.00 -1.79 -0.04 0.00 0.13 0.00 0.00 42.46 40.76 1lab s ILE 73 CO 0.00 -0.75 -0.06 0.28 -1.91 0.00 0.00 174.94 172.51 1lab s THR 74 N -3.86 0.56 0.00 4.00 -1.32 -1.03 -3.89 115.64 110.10 1lab s THR 74 Ca 0.15 -1.88 -0.02 0.00 -1.21 0.00 0.00 61.69 58.73 1lab s THR 74 Cb 0.07 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.44 1lab s THR 74 CO -0.04 -0.89 0.03 -0.22 -2.21 0.00 0.00 174.62 171.29 1lab s LEU 75 N -2.97 1.95 0.24 9.08 0.20 -1.26 -3.86 118.68 122.06 1lab s LEU 75 Ca 0.10 -0.21 0.08 0.00 0.69 0.00 0.00 54.13 54.78 1lab s LEU 75 Cb 0.06 0.23 -0.04 0.00 -0.43 0.00 0.00 46.19 46.01 1lab s LEU 75 CO -0.06 -0.20 0.13 1.51 -0.29 0.00 0.00 176.35 177.43 1lab s ASP 76 N -0.86 5.21 0.00 3.68 -4.77 -1.13 -4.02 116.67 114.79 1lab s ASP 76 Ca -0.09 -0.36 0.00 0.00 -3.30 0.00 0.00 52.55 48.80 1lab s ASP 76 Cb -0.06 -1.23 0.00 0.00 -1.09 0.00 0.00 42.92 40.54 1lab s ASP 76 CO -0.00 -0.01 0.00 0.00 0.70 0.00 0.00 175.17 175.86 1lab n ALA 77 N -0.98 1.71 -2.77 2.11 0.00 -1.26 -3.80 120.51 115.51 1lab n ALA 77 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1lab n ALA 77 Cb 0.58 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 1lab n ALA 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1lab s PRO 78 N -1.09 3.29 0.00 0.00 0.04 -1.26 -4.96 135.00 131.01 1lab s PRO 78 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1lab s PRO 78 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1lab s PRO 78 CO 0.00 0.66 0.00 0.41 0.04 0.00 0.00 177.00 178.11 1lab n GLY 79 N 2.31 0.98 0.00 0.56 0.00 -1.26 -5.16 105.19 102.62 1lab n GLY 79 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60