#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 0.43 0.00 0.00 2.19 0.19 -4.89 117.98 115.90 1lab s PHE 2 Ca 0.00 -0.93 0.00 0.00 0.33 0.00 0.00 56.93 56.33 1lab s PHE 2 Cb 0.00 -0.31 0.00 0.00 -1.31 0.00 0.00 43.02 41.40 1lab s PHE 2 CO 0.00 -0.40 0.00 -0.85 1.83 0.00 0.00 175.22 175.80 1lab n GLU 3 N 0.19 2.01 0.08 10.12 -0.00 -1.26 -1.75 120.64 130.03 1lab n GLU 3 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1lab n GLU 3 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.05 1lab n GLU 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1lab n PHE 4 N 0.00 -0.78 -4.33 -1.84 7.35 -1.24 -4.60 117.46 112.02 1lab n PHE 4 Ca 0.00 0.14 -0.19 0.00 -0.76 0.00 0.00 57.45 56.64 1lab n PHE 4 Cb 0.00 0.19 -0.14 0.00 0.35 0.00 0.00 39.48 39.88 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 -1.92 0.80 0.67 -4.13 -0.14 -1.26 -5.05 119.74 108.70 1lab s LYS 5 Ca 0.00 -0.56 -0.02 0.00 -1.36 0.00 0.00 55.97 54.03 1lab s LYS 5 Cb 0.00 -0.76 0.09 0.00 -1.68 0.00 0.00 37.83 35.47 1lab s LYS 5 CO 0.00 0.19 0.94 -0.51 -0.76 0.00 0.00 175.35 175.22 1lab s LEU 6 N -0.77 3.03 -0.20 3.17 1.43 -1.26 -4.55 118.68 119.53 1lab s LEU 6 Ca 0.01 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1lab s LEU 6 Cb -0.06 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1lab s LEU 6 CO 0.00 -1.61 1.23 -2.65 0.23 0.00 0.00 176.35 173.55 1lab n PRO 7 N -2.74 0.01 0.00 1.29 -0.02 -1.26 -4.50 135.00 127.78 1lab n PRO 7 Ca 0.11 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1lab n PRO 7 Cb 0.60 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 5.33 0.00 -4.12 2.55 -0.08 -1.26 -4.98 116.55 113.99 1lab n ASP 8 Ca 0.12 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.07 1lab n ASP 8 Cb 0.44 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.48 -0.39 -1.26 5.18 -5.35 -1.26 -4.89 119.36 109.91 1lab n ILE 9 Ca 0.00 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1lab n ILE 9 Cb 0.00 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.27 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 -1.61 0.63 3.74 3.28 0.00 -1.26 -5.01 105.19 104.96 1lab n GLY 10 Ca -0.07 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 1lab n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lab s GLU 11 N 0.80 2.58 0.00 1.61 2.02 -1.26 -4.22 118.70 120.23 1lab s GLU 11 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1lab s GLU 11 Cb 0.00 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1lab s GLU 11 CO 0.00 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1lab n GLY 12 N -1.06 1.90 2.60 -1.39 0.00 -1.26 -4.71 105.19 101.26 1lab n GLY 12 Ca -0.06 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1lab n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lab s ILE 13 N 0.00 1.24 -0.69 -0.61 -1.09 -1.26 -4.92 121.20 113.87 1lab s ILE 13 Ca 0.00 -3.00 0.16 0.00 -2.23 0.00 0.00 60.65 55.58 1lab s ILE 13 Cb 0.00 -1.84 0.60 0.00 -1.58 0.00 0.00 42.46 39.64 1lab s ILE 13 CO 0.00 -1.08 1.52 0.00 -1.23 0.00 0.00 174.94 174.14 1lab n HIS 14 N 2.85 1.21 -4.16 3.97 1.44 -1.26 -4.78 115.22 114.49 1lab n HIS 14 Ca 0.21 -0.69 -0.10 0.00 -2.01 0.00 0.00 57.72 55.13 1lab n HIS 14 Cb 0.41 -0.26 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 1lab n HIS 14 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1lab s GLU 15 N -2.11 1.02 -0.08 -1.40 -1.05 -1.26 -2.41 118.70 111.41 1lab s GLU 15 Ca 0.44 -1.50 0.01 0.00 -0.15 0.00 0.00 54.97 53.76 1lab s GLU 15 Cb 0.31 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 34.27 1lab s GLU 15 CO 0.17 -0.31 -0.09 0.20 0.95 0.00 0.00 175.26 176.19 1lab s GLY 16 N -3.09 0.75 -0.56 -3.83 0.00 0.11 -4.95 107.32 95.75 1lab s GLY 16 Ca 0.29 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.42 1lab s GLY 16 CO 0.05 0.49 0.61 1.85 0.00 0.00 0.00 173.10 176.11 1lab s GLU 17 N 1.19 3.02 -0.14 2.90 2.12 -1.26 -1.06 118.70 125.47 1lab s GLU 17 Ca -0.05 -1.45 -0.27 0.00 0.36 0.00 0.00 54.97 53.56 1lab s GLU 17 Cb -0.14 -4.27 -0.01 0.00 0.26 0.00 0.00 34.13 29.97 1lab s GLU 17 CO -0.02 -1.43 0.91 0.42 -0.54 0.00 0.00 175.26 174.60 1lab s ILE 18 N 2.24 4.84 -0.19 -3.70 -1.09 -1.24 -1.72 121.20 120.34 1lab s ILE 18 Ca 0.08 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.34 1lab s ILE 18 Cb -0.26 -4.22 -0.13 0.00 -1.58 0.00 0.00 42.46 36.27 1lab s ILE 18 CO 0.05 0.02 -0.17 0.52 -1.23 0.00 0.00 174.94 174.14 1lab n VAL 19 N 4.63 1.10 -4.10 2.92 0.31 -1.10 -3.28 118.33 118.81 1lab n VAL 19 Ca 0.06 -0.43 -0.11 0.00 -0.01 0.00 0.00 64.34 63.86 1lab n VAL 19 Cb 0.49 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.38 0.65 0.49 5.55 2.20 -1.25 -4.62 119.74 120.37 1lab s LYS 20 Ca -0.25 -1.04 0.02 0.00 -0.36 0.00 0.00 55.97 54.34 1lab s LYS 20 Cb 0.07 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1lab s LYS 20 CO 0.45 -0.00 0.04 -1.58 -0.36 0.00 0.00 175.35 173.89 1lab s TRP 21 N -2.60 1.82 0.06 4.03 0.52 -1.26 -2.94 118.94 118.57 1lab s TRP 21 Ca 0.00 -1.06 0.00 0.00 0.02 0.00 0.00 56.10 55.06 1lab s TRP 21 Cb -0.02 -1.48 0.00 0.00 -1.15 0.00 0.00 33.47 30.82 1lab s TRP 21 CO -0.03 0.07 0.00 1.19 0.02 0.00 0.00 176.95 178.20 1lab n PHE 22 N -1.19 -0.44 -2.98 -1.98 3.01 -1.25 -5.00 117.46 107.63 1lab n PHE 22 Ca -0.16 0.08 -0.19 0.00 1.01 0.00 0.00 57.45 58.18 1lab n PHE 22 Cb 0.66 0.34 0.05 0.00 -0.01 0.00 0.00 39.48 40.52 1lab n PHE 22 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1lab s VAL 23 N -2.00 2.40 0.30 -4.37 -7.23 -1.26 -5.12 120.40 103.12 1lab s VAL 23 Ca 0.00 -0.96 0.10 0.00 -1.81 0.00 0.00 61.98 59.32 1lab s VAL 23 Cb 0.00 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1lab s VAL 23 CO 0.00 0.00 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.12 1lab s LYS 24 N -4.62 1.95 -0.22 4.82 0.00 -1.26 -5.06 119.74 115.34 1lab s LYS 24 Ca 0.60 -1.71 -0.32 0.00 0.00 0.00 0.00 55.97 54.55 1lab s LYS 24 Cb -0.07 -1.89 -0.09 0.00 0.00 0.00 0.00 37.83 35.78 1lab s LYS 24 CO 0.38 0.26 2.13 -2.30 0.00 0.00 0.00 175.35 175.81 1lab n PRO 25 N -0.80 1.78 0.00 1.78 -0.02 -1.26 -2.30 135.00 134.18 1lab n PRO 25 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1lab n PRO 25 Cb 0.61 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1lab n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lab n GLY 26 N 5.66 1.23 3.91 -1.23 0.00 0.17 -4.96 105.19 109.96 1lab n GLY 26 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1lab n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lab s ASP 27 N -2.00 6.11 -0.63 1.61 2.15 -0.97 -4.77 116.67 118.16 1lab s ASP 27 Ca 0.00 0.90 -0.05 0.00 0.43 0.00 0.00 52.55 53.82 1lab s ASP 27 Cb 0.00 -2.13 0.16 0.00 -0.30 0.00 0.00 42.92 40.65 1lab s ASP 27 CO 0.00 -0.70 0.47 -1.61 -0.17 0.00 0.00 175.17 173.16 1lab s GLU 28 N -4.82 2.70 0.70 4.34 0.41 -1.26 -1.02 118.70 119.74 1lab s GLU 28 Ca 0.49 -2.38 -0.01 0.00 -0.41 0.00 0.00 54.97 52.66 1lab s GLU 28 Cb -0.10 -3.87 0.11 0.00 -1.78 0.00 0.00 34.13 28.49 1lab s GLU 28 CO 0.45 -1.19 0.96 0.54 -0.49 0.00 0.00 175.26 175.54 1lab s VAL 29 N 0.22 2.22 -0.04 2.63 0.11 -1.25 -4.99 120.40 119.31 1lab s VAL 29 Ca 0.15 -0.58 0.15 0.00 -2.93 0.00 0.00 61.98 58.77 1lab s VAL 29 Cb -0.19 -2.64 -0.23 0.00 -1.53 0.00 0.00 36.38 31.78 1lab s VAL 29 CO -0.04 0.00 0.29 -3.20 -3.33 0.00 0.00 175.10 168.82 1lab n ASN 30 N -2.77 1.43 -3.67 3.54 5.15 -1.26 -4.22 115.26 113.45 1lab n ASN 30 Ca 0.14 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.87 1lab n ASN 30 Cb 0.60 1.57 0.00 0.00 -0.53 0.00 0.00 39.78 41.42 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1lab n GLU 31 N -2.13 -1.08 -0.69 1.20 4.07 -1.26 -4.01 120.64 116.74 1lab n GLU 31 Ca -0.06 0.47 0.02 0.00 -0.06 0.00 0.00 57.16 57.53 1lab n GLU 31 Cb 0.50 -1.81 0.03 0.00 -0.06 0.00 0.00 31.44 30.09 1lab n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1lab n ASP 32 N -1.98 0.51 0.00 4.31 5.75 -1.26 -2.95 116.55 120.93 1lab n ASP 32 Ca -0.23 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1lab n ASP 32 Cb 0.55 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1lab n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1lab n ASP 33 N -0.06 0.00 -4.52 -1.12 2.03 -1.26 -4.88 116.55 106.74 1lab n ASP 33 Ca 0.04 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.09 1lab n ASP 33 Cb 0.80 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.09 1lab n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1lab s VAL 34 N 2.45 2.31 0.00 5.18 1.01 -1.26 -3.43 120.40 126.66 1lab s VAL 34 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 59.71 1lab s VAL 34 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1lab s VAL 34 CO 0.00 -0.27 0.00 -0.11 0.00 0.00 0.00 175.10 174.72 1lab n LEU 35 N -0.73 0.00 -4.39 3.92 7.94 -1.26 -4.63 117.00 117.85 1lab n LEU 35 Ca -0.05 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.65 1lab n LEU 35 Cb 0.62 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.48 1lab n LEU 35 CO 0.42 0.00 -0.23 0.00 -1.11 0.00 0.00 177.39 176.46 1lab s GLU 37 N -3.89 1.07 0.02 0.00 2.12 -1.15 -2.03 118.70 114.84 1lab s GLU 37 Ca 0.35 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.27 1lab s GLU 37 Cb 0.06 -1.02 -0.02 0.00 0.26 0.00 0.00 34.13 33.42 1lab s GLU 37 CO 0.15 0.23 -0.08 0.08 -0.54 0.00 0.00 175.26 175.10 1lab s VAL 38 N -0.14 0.56 -0.08 3.70 1.01 0.36 -2.71 120.40 123.10 1lab s VAL 38 Ca 0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1lab s VAL 38 Cb -0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1lab s VAL 38 CO 0.00 -0.14 -0.04 -1.58 0.00 0.00 0.00 175.10 173.34 1lab s GLN 39 N -0.95 2.93 0.00 2.72 0.74 -0.70 -1.61 119.66 122.79 1lab s GLN 39 Ca -0.04 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1lab s GLN 39 Cb -0.07 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1lab s GLN 39 CO 0.00 0.63 0.00 0.27 -0.55 0.00 0.00 175.29 175.64 1lab n ASN 40 N 2.35 0.00 -0.19 6.67 0.23 -0.52 -4.21 115.26 119.59 1lab n ASN 40 Ca -0.18 -0.12 -0.04 0.00 -0.53 0.00 0.00 54.58 53.72 1lab n ASN 40 Cb 0.53 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.09 -0.43 0.00 0.53 5.75 -1.26 -3.57 116.55 117.48 1lab n ASP 41 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 54.79 55.58 1lab n ASP 41 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 -4.59 0.64 -3.36 0.11 5.02 -1.26 -5.11 118.16 109.61 1lab n LYS 42 Ca 0.02 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 1lab n LYS 42 Cb 0.14 -0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.09 3.68 0.00 7.82 0.00 -1.23 -5.00 121.76 126.93 1lab s ALA 43 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1lab s ALA 43 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1lab s ALA 43 CO 0.00 0.06 0.00 0.28 0.00 0.00 0.00 175.76 176.10 1lab n VAL 44 N -1.51 0.00 -4.04 0.00 0.31 -0.64 -1.44 118.33 111.02 1lab n VAL 44 Ca -0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.04 1lab n VAL 44 Cb 0.55 -0.61 -0.04 0.00 -0.91 0.00 0.00 33.84 32.83 1lab n VAL 44 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1lab s VAL 45 N -1.75 4.80 0.01 2.52 1.01 -1.18 0.14 120.40 125.95 1lab s VAL 45 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1lab s VAL 45 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1lab s VAL 45 CO 0.00 -0.15 -0.07 -0.62 0.00 0.00 0.00 175.10 174.27 1lab n GLU 46 N -0.58 0.10 -3.53 2.72 1.02 -1.05 -4.14 120.64 115.18 1lab n GLU 46 Ca -0.08 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.78 1lab n GLU 46 Cb 0.55 -0.55 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1lab n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1lab s ILE 47 N -1.83 5.03 0.59 -3.67 1.09 -0.86 -5.03 121.20 116.52 1lab s ILE 47 Ca -0.05 0.30 0.07 0.00 -1.10 0.00 0.00 60.65 59.87 1lab s ILE 47 Cb 0.01 -3.62 0.09 0.00 -1.06 0.00 0.00 42.46 37.87 1lab s ILE 47 CO 0.08 -0.00 0.82 -2.16 -0.10 0.00 0.00 174.94 173.57 1lab s PRO 48 N -2.69 2.22 0.50 2.79 0.04 -1.26 -4.75 135.00 131.86 1lab s PRO 48 Ca 0.44 -1.49 0.02 0.00 0.04 0.00 0.00 61.00 60.01 1lab s PRO 48 Cb -0.12 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1lab s PRO 48 CO 0.22 -0.93 0.04 -1.12 0.04 0.00 0.00 177.00 175.25 1lab s SER 49 N -4.65 4.15 -0.23 6.66 0.01 -1.22 -4.92 113.70 113.50 1lab s SER 49 Ca 0.62 -1.58 -0.09 0.00 1.31 0.00 0.00 55.95 56.21 1lab s SER 49 Cb -0.06 0.40 -0.18 0.00 0.21 0.00 0.00 66.02 66.39 1lab s SER 49 CO 0.40 -0.82 -0.05 -0.81 0.41 0.00 0.00 173.24 172.36 1lab n PRO 50 N -1.27 0.64 -4.35 12.44 -0.05 -1.22 -4.34 135.00 136.86 1lab n PRO 50 Ca -0.16 0.29 -0.18 0.00 -0.05 0.00 0.00 63.50 63.40 1lab n PRO 50 Cb 0.67 -1.60 -0.10 0.00 -0.05 0.00 0.00 33.50 32.42 1lab n PRO 50 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1lab s VAL 51 N -2.50 1.05 0.41 0.52 0.11 -1.15 -4.70 120.40 114.14 1lab s VAL 51 Ca -0.32 -2.03 0.06 0.00 -2.93 0.00 0.00 61.98 56.76 1lab s VAL 51 Cb 0.10 -2.41 -0.07 0.00 -1.53 0.00 0.00 36.38 32.46 1lab s VAL 51 CO 0.60 -0.27 0.02 -1.59 -3.33 0.00 0.00 175.10 170.53 1lab s LYS 52 N -3.87 1.94 0.00 1.54 0.00 -1.26 -4.61 119.74 113.49 1lab s LYS 52 Ca 0.30 -2.10 0.00 0.00 0.00 0.00 0.00 55.97 54.16 1lab s LYS 52 Cb 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 37.83 36.36 1lab s LYS 52 CO 0.10 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.77 1lab n GLY 53 N -0.95 -0.44 1.94 0.59 0.00 -1.19 -4.41 105.19 100.73 1lab n GLY 53 Ca -0.06 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1lab n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lab n LYS 54 N 0.00 1.01 -3.20 1.61 4.81 -1.25 -3.77 118.16 117.37 1lab n LYS 54 Ca 0.00 -1.70 -0.24 0.00 -0.87 0.00 0.00 58.31 55.50 1lab n LYS 54 Cb 0.00 0.11 -0.06 0.00 0.02 0.00 0.00 35.03 35.10 1lab n LYS 54 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1lab n VAL 55 N -1.28 0.96 0.00 3.15 0.31 -0.19 -3.72 118.33 117.56 1lab n VAL 55 Ca 0.01 -4.77 0.00 0.00 -0.01 0.00 0.00 64.34 59.58 1lab n VAL 55 Cb 0.31 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.68 0.00 -4.02 7.52 4.77 -1.26 0.44 117.00 125.13 1lab n LEU 56 Ca 0.26 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1lab n LEU 56 Cb 0.50 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1lab n LEU 56 CO 0.28 -0.05 -0.08 -1.61 -1.33 0.00 0.00 177.39 174.60 1lab s GLU 57 N -1.38 1.13 -0.01 3.23 2.02 -1.26 -3.31 118.70 119.12 1lab s GLU 57 Ca 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 54.97 53.75 1lab s GLU 57 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.57 1lab s GLU 57 CO 0.00 -0.40 -0.09 0.42 0.02 0.00 0.00 175.26 175.21 1lab s ILE 58 N -4.00 0.74 -0.14 -1.63 1.01 -1.26 -3.81 121.20 112.11 1lab s ILE 58 Ca 0.20 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1lab s ILE 58 Cb 0.04 -0.62 -0.16 0.00 0.01 0.00 0.00 42.46 41.74 1lab s ILE 58 CO 0.02 0.21 0.02 0.18 0.00 0.00 0.00 174.94 175.37 1lab n LEU 59 N 2.86 0.40 -4.55 2.97 4.32 -0.33 -4.94 117.00 117.73 1lab n LEU 59 Ca -0.14 -0.01 -0.34 0.00 -0.02 0.00 0.00 56.01 55.50 1lab n LEU 59 Cb 0.57 0.20 -0.11 0.00 -1.62 0.00 0.00 43.42 42.46 1lab n LEU 59 CO 0.25 0.39 -0.32 -0.69 -1.22 0.00 0.00 177.39 175.80 1lab s VAL 60 N -2.32 4.17 0.00 4.08 1.01 -1.25 -5.11 120.40 120.98 1lab s VAL 60 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1lab s VAL 60 Cb 0.04 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1lab s VAL 60 CO 0.52 0.49 0.00 -2.65 0.00 0.00 0.00 175.10 173.46 1lab n PRO 61 N 3.48 2.97 -2.44 2.72 -0.02 -1.26 -4.97 135.00 135.48 1lab n PRO 61 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 1lab n PRO 61 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.04 1lab n PRO 61 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1lab n GLU 62 N 0.00 2.62 0.00 -0.52 -0.00 -1.26 -4.73 120.64 116.75 1lab n GLU 62 Ca 0.00 -3.82 0.00 0.00 -0.00 0.00 0.00 57.16 53.34 1lab n GLU 62 Cb 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 31.44 29.52 1lab n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lab n GLY 63 N -0.65 1.00 3.63 -1.84 0.00 -1.20 -4.26 105.19 101.87 1lab n GLY 63 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 1.59 -0.01 2.61 2.01 -1.26 -5.02 115.64 115.56 1lab s THR 64 Ca 0.00 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.01 1lab s THR 64 Cb 0.00 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1lab s THR 64 CO 0.00 0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.25 1lab s VAL 65 N -2.86 4.23 0.34 3.82 1.01 -1.26 -3.60 120.40 122.08 1lab s VAL 65 Ca 0.27 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1lab s VAL 65 Cb 0.07 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1lab s VAL 65 CO 0.13 0.40 -0.06 0.00 0.00 0.00 0.00 175.10 175.57 1lab s ALA 66 N -1.08 3.04 0.00 5.51 0.00 -0.23 -4.93 121.76 124.07 1lab s ALA 66 Ca 0.19 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1lab s ALA 66 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1lab s ALA 66 CO 0.10 0.08 0.00 0.25 0.00 0.00 0.00 175.76 176.18 1lab n THR 67 N -0.84 0.00 -4.41 0.00 -2.24 -1.26 0.08 114.28 105.60 1lab n THR 67 Ca -0.05 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 1lab n THR 67 Cb 0.63 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 1lab n THR 67 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1lab s VAL 68 N 1.07 2.44 0.00 2.28 1.01 -1.01 -4.41 120.40 121.78 1lab s VAL 68 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1lab s VAL 68 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1lab s VAL 68 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1lab n GLY 69 N 0.25 3.08 3.97 4.51 0.00 -1.26 -4.76 105.19 110.98 1lab n GLY 69 Ca -0.12 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 3.41 0.32 1.61 0.74 -1.26 -5.11 119.66 119.37 1lab s GLN 70 Ca 0.00 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 54.67 1lab s GLN 70 Cb 0.00 -2.88 0.04 0.00 1.10 0.00 0.00 33.01 31.27 1lab s GLN 70 CO 0.00 0.39 0.33 2.41 -0.55 0.00 0.00 175.29 177.86 1lab n THR 71 N -1.44 0.00 0.13 -0.34 -1.04 -1.26 -4.59 114.28 105.74 1lab n THR 71 Ca -0.08 -1.20 0.00 0.00 -2.04 0.00 0.00 64.05 60.73 1lab n THR 71 Cb 0.57 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 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 -0.97 -4.18 -4.42 7.94 -1.26 -4.87 117.00 109.24 1lab n LEU 72 Ca 0.03 0.47 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 1lab n LEU 72 Cb 0.36 1.07 -0.10 0.00 0.53 0.00 0.00 43.42 45.27 1lab n LEU 72 CO 0.22 -0.50 -0.33 -0.51 -1.11 0.00 0.00 177.39 175.15 1lab s ILE 73 N -2.00 0.45 0.09 1.96 2.07 -1.26 -1.19 121.20 121.33 1lab s ILE 73 Ca 0.00 -1.93 0.02 0.00 -1.41 0.00 0.00 60.65 57.33 1lab s ILE 73 Cb 0.00 -1.96 -0.04 0.00 0.13 0.00 0.00 42.46 40.59 1lab s ILE 73 CO 0.00 -0.60 -0.07 0.28 -1.91 0.00 0.00 174.94 172.65 1lab s THR 74 N -3.80 0.68 0.02 4.00 -1.32 -1.25 -3.69 115.64 110.28 1lab s THR 74 Ca 0.20 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.82 1lab s THR 74 Cb 0.07 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.44 1lab s THR 74 CO 0.00 -0.84 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.32 1lab s LEU 75 N -2.93 2.18 0.24 9.08 0.20 -0.71 -4.23 118.68 122.51 1lab s LEU 75 Ca 0.10 -0.38 0.10 0.00 0.69 0.00 0.00 54.13 54.64 1lab s LEU 75 Cb 0.04 -0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.73 1lab s LEU 75 CO -0.04 -0.18 -0.09 1.51 -0.29 0.00 0.00 176.35 177.25 1lab s ASP 76 N -1.09 4.15 -0.00 3.68 1.47 -1.24 0.55 116.67 124.18 1lab s ASP 76 Ca -0.10 -0.74 0.00 0.00 1.18 0.00 0.00 52.55 52.89 1lab s ASP 76 Cb -0.07 -0.63 0.00 0.00 -0.34 0.00 0.00 42.92 41.88 1lab s ASP 76 CO -0.00 0.05 -0.01 0.00 0.68 0.00 0.00 175.17 175.89 1lab s ALA 77 N -2.17 0.07 0.18 2.11 0.00 -1.26 -3.16 121.76 117.53 1lab s ALA 77 Ca 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 1lab s ALA 77 Cb -0.07 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.09 1lab s ALA 77 CO 0.17 0.01 1.51 -1.00 0.00 0.00 0.00 175.76 176.44 1lab h PRO 78 N 6.24 0.68 0.00 0.00 0.13 -1.99 -3.33 132.00 133.73 1lab h PRO 78 Ca -0.27 -0.39 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1lab h PRO 78 Cb 1.20 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1lab h PRO 78 CO 0.51 1.01 -0.41 0.41 -0.23 0.00 0.00 178.00 179.29 1lab n GLY 79 N 0.18 4.66 0.00 1.56 0.00 -1.26 -5.12 105.19 105.21 1lab n GLY 79 Ca -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60