#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 1.86 0.00 0.00 2.19 0.35 -4.89 117.98 117.49 1lab s PHE 2 Ca 0.00 -0.54 0.00 0.00 0.33 0.00 0.00 56.93 56.72 1lab s PHE 2 Cb 0.00 -0.88 0.00 0.00 -1.31 0.00 0.00 43.02 40.83 1lab s PHE 2 CO 0.00 0.42 0.00 -1.91 1.83 0.00 0.00 175.22 175.56 1lab n GLU 3 N -0.46 0.64 -0.05 10.12 2.13 -1.26 -1.53 120.64 130.23 1lab n GLU 3 Ca -0.07 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.66 1lab n GLU 3 Cb 0.61 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.27 1lab n GLU 3 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1lab n PHE 4 N 0.00 0.00 -4.35 4.31 7.35 -1.25 -4.89 117.46 118.63 1lab n PHE 4 Ca 0.00 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.53 1lab n PHE 4 Cb 0.00 -0.39 -0.04 0.00 0.35 0.00 0.00 39.48 39.40 1lab n PHE 4 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1lab n LYS 5 N -3.15 1.11 -3.45 -4.13 4.76 -1.26 -5.11 118.16 106.93 1lab n LYS 5 Ca -0.20 -1.91 -0.20 0.00 -2.87 0.00 0.00 58.31 53.14 1lab n LYS 5 Cb 0.67 0.71 -0.02 0.00 -1.84 0.00 0.00 35.03 34.55 1lab n LYS 5 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1lab n LEU 6 N 0.00 0.00 -4.55 -0.35 4.77 -1.26 -4.95 117.00 110.66 1lab n LEU 6 Ca -0.08 -2.02 -0.14 0.00 -0.03 0.00 0.00 56.01 53.75 1lab n LEU 6 Cb 0.33 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1lab n LEU 6 CO 0.18 -0.38 1.26 -2.65 -1.33 0.00 0.00 177.39 174.47 1lab n PRO 7 N -1.07 0.42 0.00 3.23 -0.02 -1.26 -4.18 135.00 132.12 1lab n PRO 7 Ca -0.08 -0.91 0.00 0.00 -2.02 0.00 0.00 63.50 60.48 1lab n PRO 7 Cb 0.42 -3.46 0.00 0.00 -0.02 0.00 0.00 33.50 30.44 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 17.58 0.00 -3.83 2.55 2.03 -1.26 -4.99 116.55 128.63 1lab n ASP 8 Ca 0.47 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.48 1lab n ASP 8 Cb 0.41 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 1lab n ASP 8 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1lab n ILE 9 N 0.00 -0.71 -1.94 5.18 -5.35 -1.26 -4.92 119.36 110.36 1lab n ILE 9 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 1lab n ILE 9 Cb 0.00 -1.33 0.02 0.00 -1.74 0.00 0.00 39.64 36.59 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 -1.16 0.17 3.93 3.28 0.00 -1.26 -5.03 105.19 105.12 1lab n GLY 10 Ca 0.05 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.94 3.11 0.00 1.61 2.02 -1.26 -4.33 118.70 116.91 1lab s GLU 11 Ca 0.09 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1lab s GLU 11 Cb -0.00 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1lab s GLU 11 CO 0.06 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.34 1lab n GLY 12 N -2.30 2.06 2.82 -1.39 0.00 -1.26 -4.83 105.19 100.30 1lab n GLY 12 Ca 0.02 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 0.80 -0.08 -0.61 1.01 -1.26 -5.01 121.20 116.05 1lab s ILE 13 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 60.65 60.30 1lab s ILE 13 Cb 0.00 -1.06 0.17 0.00 0.01 0.00 0.00 42.46 41.58 1lab s ILE 13 CO 0.00 0.06 1.06 0.00 0.00 0.00 0.00 174.94 176.06 1lab n HIS 14 N 4.98 0.00 -4.48 3.97 1.44 -1.26 -4.70 115.22 115.17 1lab n HIS 14 Ca -0.10 -0.66 -0.23 0.00 -2.01 0.00 0.00 57.72 54.72 1lab n HIS 14 Cb 0.48 -0.11 -0.06 0.00 0.12 0.00 0.00 29.99 30.42 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 -0.92 0.75 -3.61 -1.40 0.00 -1.26 -3.31 120.64 110.88 1lab n GLU 15 Ca 0.09 -2.93 -0.29 0.00 0.00 0.00 0.00 57.16 54.03 1lab n GLU 15 Cb 0.59 1.33 -0.15 0.00 0.00 0.00 0.00 31.44 33.21 1lab n GLU 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1lab s GLY 16 N -3.16 0.67 -0.49 -1.84 0.00 0.94 -4.84 107.32 98.60 1lab s GLY 16 Ca 0.12 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 1lab s GLY 16 CO 0.08 1.88 0.41 1.85 0.00 0.00 0.00 173.10 177.33 1lab s GLU 17 N 1.94 2.86 -0.06 2.90 2.12 -1.26 -0.78 118.70 126.42 1lab s GLU 17 Ca 0.08 -1.57 -0.20 0.00 0.36 0.00 0.00 54.97 53.63 1lab s GLU 17 Cb -0.16 -4.12 -0.04 0.00 0.26 0.00 0.00 34.13 30.06 1lab s GLU 17 CO -0.30 -1.17 0.58 0.42 -0.54 0.00 0.00 175.26 174.25 1lab s ILE 18 N 1.55 5.05 -0.16 -3.70 1.01 -1.26 -1.02 121.20 122.67 1lab s ILE 18 Ca 0.04 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 1lab s ILE 18 Cb -0.27 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1lab s ILE 18 CO 0.03 0.34 -0.30 0.52 0.00 0.00 0.00 174.94 175.53 1lab n VAL 19 N 3.34 1.43 -4.42 2.92 0.31 0.53 -4.21 118.33 118.23 1lab n VAL 19 Ca -0.05 0.07 -0.20 0.00 -0.01 0.00 0.00 64.34 64.14 1lab n VAL 19 Cb 0.51 -2.16 -0.11 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.71 1.59 0.32 5.55 2.20 -1.19 -4.53 119.74 120.97 1lab s LYS 20 Ca -0.27 -1.88 0.03 0.00 -0.36 0.00 0.00 55.97 53.50 1lab s LYS 20 Cb 0.05 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.58 1lab s LYS 20 CO 0.38 -0.20 0.09 -1.58 -0.36 0.00 0.00 175.35 173.68 1lab s TRP 21 N -3.38 1.80 0.03 4.03 0.52 -1.26 -0.97 118.94 119.71 1lab s TRP 21 Ca 0.36 -1.10 0.00 0.00 0.02 0.00 0.00 56.10 55.39 1lab s TRP 21 Cb 0.08 -1.14 0.00 0.00 -1.15 0.00 0.00 33.47 31.26 1lab s TRP 21 CO 0.15 -0.16 0.00 1.19 0.02 0.00 0.00 176.95 178.15 1lab n PHE 22 N -0.66 -0.14 -3.00 -1.98 3.01 -1.23 -4.93 117.46 108.53 1lab n PHE 22 Ca -0.02 0.02 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1lab n PHE 22 Cb 0.66 0.13 0.07 0.00 -0.01 0.00 0.00 39.48 40.33 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 2.09 0.39 -4.37 -7.23 -1.26 -5.13 120.40 102.89 1lab s VAL 23 Ca 0.00 -0.97 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 1lab s VAL 23 Cb 0.00 -2.12 -0.07 0.00 0.56 0.00 0.00 36.38 34.74 1lab s VAL 23 CO 0.00 0.00 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.18 1lab s LYS 24 N -4.73 1.92 0.38 4.82 0.00 -1.26 -5.11 119.74 115.76 1lab s LYS 24 Ca 0.63 -2.05 -0.25 0.00 0.00 0.00 0.00 55.97 54.30 1lab s LYS 24 Cb -0.05 -1.67 -0.09 0.00 0.00 0.00 0.00 37.83 36.02 1lab s LYS 24 CO 0.40 0.02 1.08 -1.25 0.00 0.00 0.00 175.35 175.59 1lab s PRO 25 N -3.68 4.24 0.00 1.78 0.04 -1.26 -3.32 135.00 132.80 1lab s PRO 25 Ca 0.34 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1lab s PRO 25 Cb 0.07 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1lab s PRO 25 CO 0.18 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1lab n GLY 26 N 0.57 1.87 1.21 0.56 0.00 0.13 -5.03 105.19 104.51 1lab n GLY 26 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1lab n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lab n ASP 27 N 0.00 0.11 -4.41 1.61 8.00 -1.21 -4.76 116.55 115.89 1lab n ASP 27 Ca 0.00 -1.19 -0.23 0.00 0.71 0.00 0.00 54.79 54.08 1lab n ASP 27 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 1lab n ASP 27 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1lab s GLU 28 N -3.77 1.50 0.22 -1.24 2.02 -1.26 -0.29 118.70 115.88 1lab s GLU 28 Ca 0.23 -1.63 0.11 0.00 0.02 0.00 0.00 54.97 53.70 1lab s GLU 28 Cb -0.01 -1.55 -0.05 0.00 0.10 0.00 0.00 34.13 32.63 1lab s GLU 28 CO 0.16 0.30 -0.20 0.54 0.02 0.00 0.00 175.26 176.08 1lab s VAL 29 N -2.42 2.21 0.00 2.63 0.11 0.13 -4.81 120.40 118.25 1lab s VAL 29 Ca 0.24 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.11 1lab s VAL 29 Cb -0.05 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1lab s VAL 29 CO 0.11 -0.34 0.00 0.59 -3.33 0.00 0.00 175.10 172.13 1lab n ASN 30 N -0.18 0.00 -2.62 3.54 4.13 -1.26 -0.84 115.26 118.02 1lab n ASN 30 Ca -0.09 -0.76 -0.25 0.00 1.68 0.00 0.00 54.58 55.16 1lab n ASN 30 Cb 0.58 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.82 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1lab n GLU 31 N -0.76 3.04 0.18 3.52 2.13 -1.26 -2.16 120.64 125.33 1lab n GLU 31 Ca 0.00 -4.40 0.00 0.00 0.66 0.00 0.00 57.16 53.42 1lab n GLU 31 Cb 0.00 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.60 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 -0.36 -3.29 -3.02 4.31 5.68 -1.25 -4.94 116.55 113.69 1lab n ASP 32 Ca 0.33 0.80 0.00 0.00 -0.50 0.00 0.00 54.79 55.42 1lab n ASP 32 Cb 0.62 3.16 0.00 0.00 -1.14 0.00 0.00 41.12 43.76 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 -3.32 -1.08 -1.73 -1.12 2.03 -1.26 -4.14 116.55 105.93 1lab n ASP 33 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1lab n ASP 33 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1lab n ASP 33 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1lab n VAL 34 N -2.39 0.00 0.00 5.18 0.31 -1.26 -0.06 118.33 120.11 1lab n VAL 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1lab n VAL 34 Cb 0.00 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1lab n VAL 34 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1lab n LEU 35 N 0.00 0.00 0.00 7.52 7.94 0.48 -4.50 117.00 128.44 1lab n LEU 35 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1lab n LEU 35 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1lab n LEU 35 CO 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 177.39 176.07 1lab s GLU 37 N -3.68 2.39 0.15 0.00 2.12 -0.15 -2.66 118.70 116.89 1lab s GLU 37 Ca 0.05 -1.25 0.11 0.00 0.36 0.00 0.00 54.97 54.24 1lab s GLU 37 Cb 0.00 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 1lab s GLU 37 CO 0.03 -0.50 -0.26 0.08 -0.54 0.00 0.00 175.26 174.07 1lab s VAL 38 N 1.14 2.28 0.15 3.70 1.01 0.70 -0.35 120.40 129.03 1lab s VAL 38 Ca -0.06 -1.86 0.10 0.00 0.00 0.00 0.00 61.98 60.15 1lab s VAL 38 Cb -0.19 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1lab s VAL 38 CO -0.06 0.00 -0.20 -1.58 0.00 0.00 0.00 175.10 173.26 1lab s GLN 39 N -2.30 1.67 0.35 2.72 0.74 -0.19 -0.18 119.66 122.48 1lab s GLN 39 Ca 0.16 -1.32 0.01 0.00 0.05 0.00 0.00 55.36 54.26 1lab s GLN 39 Cb -0.09 -2.00 -0.00 0.00 1.10 0.00 0.00 33.01 32.01 1lab s GLN 39 CO 0.07 0.45 0.44 0.27 -0.55 0.00 0.00 175.29 175.97 1lab n ASN 40 N 0.58 -1.21 0.00 6.67 6.94 -0.28 -4.04 115.26 123.91 1lab n ASN 40 Ca -0.15 -3.02 0.00 0.00 -0.02 0.00 0.00 54.58 51.39 1lab n ASN 40 Cb 0.54 2.36 0.00 0.00 -2.36 0.00 0.00 39.78 40.32 1lab n ASN 40 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1lab n ASP 41 N -1.63 0.00 0.00 0.53 5.75 -1.26 -3.07 116.55 116.87 1lab n ASP 41 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1lab n ASP 41 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.63 4.91 -3.46 0.11 5.02 -1.26 -5.10 118.16 117.75 1lab n LYS 42 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1lab n LYS 42 Cb 0.00 -0.58 -0.01 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.35 4.24 -0.05 7.82 0.00 -1.18 -5.11 121.76 127.14 1lab s ALA 43 Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1lab s ALA 43 Cb 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.49 1lab s ALA 43 CO 0.00 -0.05 -0.07 0.08 0.00 0.00 0.00 175.76 175.72 1lab s VAL 44 N -2.19 0.74 0.37 0.00 1.01 -1.26 -1.13 120.40 117.94 1lab s VAL 44 Ca 0.45 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1lab s VAL 44 Cb -0.09 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1lab s VAL 44 CO 0.31 0.26 0.08 -0.69 0.00 0.00 0.00 175.10 175.06 1lab s VAL 45 N 0.74 1.00 0.32 2.92 1.01 0.75 -4.97 120.40 122.17 1lab s VAL 45 Ca -0.12 -2.00 0.09 0.00 0.00 0.00 0.00 61.98 59.95 1lab s VAL 45 Cb -0.14 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1lab s VAL 45 CO 0.01 0.00 -0.10 -1.83 0.00 0.00 0.00 175.10 173.18 1lab s GLU 46 N -3.82 1.73 -0.07 2.72 -1.05 -1.26 -0.22 118.70 116.73 1lab s GLU 46 Ca 0.29 -1.88 0.03 0.00 -0.15 0.00 0.00 54.97 53.27 1lab s GLU 46 Cb 0.06 -1.59 0.01 0.00 -0.44 0.00 0.00 34.13 32.17 1lab s GLU 46 CO 0.14 0.15 -0.16 0.42 0.95 0.00 0.00 175.26 176.75 1lab s ILE 47 N -2.69 1.46 0.15 1.83 1.09 -1.09 -4.95 121.20 117.00 1lab s ILE 47 Ca 0.31 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 59.19 1lab s ILE 47 Cb 0.02 -1.29 0.03 0.00 -1.06 0.00 0.00 42.46 40.15 1lab s ILE 47 CO 0.15 0.43 0.20 -0.81 -0.10 0.00 0.00 174.94 174.81 1lab n PRO 48 N 3.65 0.51 -3.43 2.79 -0.04 -1.26 -0.39 135.00 136.83 1lab n PRO 48 Ca -0.21 -0.56 -0.44 0.00 -0.04 0.00 0.00 63.50 62.25 1lab n PRO 48 Cb 0.52 -0.13 -0.06 0.00 -0.04 0.00 0.00 33.50 33.79 1lab n PRO 48 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1lab s SER 49 N -1.82 6.01 0.26 3.54 0.01 0.92 -4.54 113.70 118.08 1lab s SER 49 Ca 0.13 -1.98 -0.02 0.00 1.31 0.00 0.00 55.95 55.39 1lab s SER 49 Cb -0.01 -2.11 0.57 0.00 0.21 0.00 0.00 66.02 64.68 1lab s SER 49 CO 0.09 -0.74 1.68 -0.65 0.41 0.00 0.00 173.24 174.03 1lab h PRO 50 N 8.51 0.30 -4.94 12.44 0.11 -1.90 -3.31 132.00 143.21 1lab h PRO 50 Ca -0.21 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.54 1lab h PRO 50 Cb 1.08 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 31.97 1lab h PRO 50 CO 0.92 0.20 -0.65 0.54 -0.21 0.00 0.00 178.00 178.80 1lab s VAL 51 N -5.99 0.81 0.03 3.15 0.11 -1.26 -4.88 120.40 112.37 1lab s VAL 51 Ca -0.12 -2.01 0.04 0.00 -2.93 0.00 0.00 61.98 56.96 1lab s VAL 51 Cb 0.23 -2.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 1lab s VAL 51 CO 0.77 -0.31 -0.06 -1.59 -3.33 0.00 0.00 175.10 170.57 1lab s LYS 52 N -3.92 2.48 0.00 1.54 0.00 -0.92 -4.37 119.74 114.56 1lab s LYS 52 Ca 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.47 1lab s LYS 52 Cb 0.06 -2.48 0.00 0.00 0.00 0.00 0.00 37.83 35.42 1lab s LYS 52 CO 0.08 0.58 0.00 0.41 0.00 0.00 0.00 175.35 176.42 1lab n GLY 53 N 1.26 -0.68 4.00 0.59 0.00 -0.02 -4.78 105.19 105.55 1lab n GLY 53 Ca -0.14 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.71 2.51 -0.56 1.61 2.47 -1.25 0.20 119.74 123.99 1lab s LYS 54 Ca 0.00 -1.09 0.04 0.00 -1.56 0.00 0.00 55.97 53.36 1lab s LYS 54 Cb 0.00 -2.58 0.15 0.00 -1.46 0.00 0.00 37.83 33.94 1lab s LYS 54 CO 0.00 -0.67 0.37 0.08 0.16 0.00 0.00 175.35 175.29 1lab s VAL 55 N -2.65 2.09 0.00 4.02 1.01 0.60 -3.76 120.40 121.70 1lab s VAL 55 Ca 0.58 -3.46 0.00 0.00 0.00 0.00 0.00 61.98 59.10 1lab s VAL 55 Cb -0.09 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1lab s VAL 55 CO 0.37 -0.98 0.40 0.18 0.00 0.00 0.00 175.10 175.07 1lab n LEU 56 N 2.67 0.00 -4.19 3.92 4.77 -1.26 0.21 117.00 123.12 1lab n LEU 56 Ca 0.16 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1lab n LEU 56 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1lab n LEU 56 CO 0.25 0.00 -0.30 -1.61 -1.33 0.00 0.00 177.39 174.40 1lab s GLU 57 N -0.80 1.04 -0.02 3.23 2.02 -1.26 -3.17 118.70 119.73 1lab s GLU 57 Ca 0.00 -1.50 0.04 0.00 0.02 0.00 0.00 54.97 53.52 1lab s GLU 57 Cb 0.00 0.04 -0.00 0.00 0.10 0.00 0.00 34.13 34.27 1lab s GLU 57 CO 0.00 -0.23 -0.12 0.42 0.02 0.00 0.00 175.26 175.35 1lab s ILE 58 N -3.91 1.01 -0.20 -1.63 1.01 -1.26 -3.49 121.20 112.73 1lab s ILE 58 Ca 0.26 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 1lab s ILE 58 Cb 0.07 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 41.59 1lab s ILE 58 CO 0.04 0.29 -0.26 0.18 0.00 0.00 0.00 174.94 175.19 1lab n LEU 59 N 2.99 1.91 -4.37 2.97 4.32 -0.01 -4.85 117.00 119.96 1lab n LEU 59 Ca -0.16 0.40 -0.34 0.00 -0.02 0.00 0.00 56.01 55.89 1lab n LEU 59 Cb 0.55 -0.81 -0.14 0.00 -1.62 0.00 0.00 43.42 41.40 1lab n LEU 59 CO 0.25 -0.01 -0.41 -0.69 -1.22 0.00 0.00 177.39 175.30 1lab s VAL 60 N -2.62 3.27 0.00 4.08 1.01 -1.26 -5.04 120.40 119.84 1lab s VAL 60 Ca -0.29 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1lab s VAL 60 Cb 0.07 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1lab s VAL 60 CO 0.43 0.49 0.00 -2.65 0.00 0.00 0.00 175.10 173.37 1lab n PRO 61 N 3.97 0.00 0.00 2.72 -0.02 -1.26 -4.85 135.00 135.56 1lab n PRO 61 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1lab n PRO 61 Cb 0.52 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 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 -0.30 1.55 0.00 -0.52 -0.00 -1.26 -4.89 120.64 115.22 1lab n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1lab n GLU 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 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 1.94 0.34 2.52 -1.84 0.00 -1.26 -4.80 105.19 102.09 1lab n GLY 63 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1lab n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1lab n THR 64 N 0.00 0.00 -4.22 2.61 -1.04 -1.26 -5.07 114.28 105.29 1lab n THR 64 Ca 0.00 -1.44 -0.26 0.00 -2.04 0.00 0.00 64.05 60.32 1lab n THR 64 Cb 0.00 -0.21 -0.07 0.00 -1.82 0.00 0.00 70.33 68.23 1lab n THR 64 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1lab s VAL 65 N -1.78 3.68 0.36 12.58 1.01 -1.26 -4.28 120.40 130.71 1lab s VAL 65 Ca 0.22 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1lab s VAL 65 Cb -0.02 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 1lab s VAL 65 CO 0.14 -0.18 0.05 0.00 0.00 0.00 0.00 175.10 175.11 1lab s ALA 66 N -1.88 2.66 0.00 5.51 0.00 0.04 -5.00 121.76 123.11 1lab s ALA 66 Ca 0.28 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1lab s ALA 66 Cb -0.09 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1lab s ALA 66 CO 0.19 -0.26 0.00 -2.37 0.00 0.00 0.00 175.76 173.32 1lab n THR 67 N -0.79 0.00 -4.38 0.00 5.66 -1.26 -0.04 114.28 113.47 1lab n THR 67 Ca -0.04 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.70 1lab n THR 67 Cb 0.67 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.34 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 0.22 2.72 0.00 1.08 1.01 -1.21 -4.38 120.40 119.84 1lab s VAL 68 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1lab s VAL 68 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1lab s VAL 68 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1lab n GLY 69 N 0.00 3.08 3.81 4.51 0.00 -1.26 -4.82 105.19 110.52 1lab n GLY 69 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 2.96 0.69 1.61 0.74 -1.26 -5.08 119.66 119.10 1lab s GLN 70 Ca 0.00 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.61 1lab s GLN 70 Cb 0.00 -2.69 0.13 0.00 1.10 0.00 0.00 33.01 31.55 1lab s GLN 70 CO 0.00 0.49 0.95 0.99 -0.55 0.00 0.00 175.29 177.18 1lab s THR 71 N -1.73 2.03 0.00 -0.34 2.01 -1.26 -4.78 115.64 111.58 1lab s THR 71 Ca 0.31 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1lab s THR 71 Cb -0.10 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1lab s THR 71 CO 0.24 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 174.06 1lab n LEU 72 N -2.69 -0.00 -4.06 4.42 7.94 -1.26 -4.86 117.00 116.49 1lab n LEU 72 Ca 0.17 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 1lab n LEU 72 Cb 0.61 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.47 1lab n LEU 72 CO 0.41 -0.50 -0.26 -0.51 -1.11 0.00 0.00 177.39 175.42 1lab s ILE 73 N -1.01 0.15 0.08 1.96 2.07 -1.26 -0.83 121.20 122.36 1lab s ILE 73 Ca 0.00 -1.69 0.01 0.00 -1.41 0.00 0.00 60.65 57.56 1lab s ILE 73 Cb 0.00 -1.69 -0.04 0.00 0.13 0.00 0.00 42.46 40.86 1lab s ILE 73 CO 0.00 -0.70 -0.05 0.28 -1.91 0.00 0.00 174.94 172.56 1lab s THR 74 N -3.95 0.51 0.06 4.00 -1.32 -1.23 -3.90 115.64 109.81 1lab s THR 74 Ca 0.13 -1.89 0.04 0.00 -1.21 0.00 0.00 61.69 58.76 1lab s THR 74 Cb 0.07 -1.63 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 1lab s THR 74 CO -0.05 -0.92 -0.11 -0.22 -2.21 0.00 0.00 174.62 171.11 1lab s LEU 75 N -3.00 2.26 0.10 9.08 0.20 -0.58 -4.04 118.68 122.70 1lab s LEU 75 Ca 0.10 -0.58 0.05 0.00 0.69 0.00 0.00 54.13 54.40 1lab s LEU 75 Cb 0.06 -0.34 -0.04 0.00 -0.43 0.00 0.00 46.19 45.45 1lab s LEU 75 CO -0.07 -0.14 -0.00 1.51 -0.29 0.00 0.00 176.35 177.36 1lab s ASP 76 N -1.64 4.97 -0.32 3.68 1.47 -1.25 0.13 116.67 123.71 1lab s ASP 76 Ca -0.06 -0.22 -0.01 0.00 1.18 0.00 0.00 52.55 53.44 1lab s ASP 76 Cb -0.10 -1.16 0.13 0.00 -0.34 0.00 0.00 42.92 41.45 1lab s ASP 76 CO 0.01 0.16 0.21 0.00 0.68 0.00 0.00 175.17 176.24 1lab s ALA 77 N -1.37 0.48 -0.01 2.11 0.00 -1.26 -3.96 121.76 117.75 1lab s ALA 77 Ca 0.26 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1lab s ALA 77 Cb -0.11 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.31 1lab s ALA 77 CO 0.18 -1.91 0.80 -0.35 0.00 0.00 0.00 175.76 174.48 1lab n PRO 78 N 4.64 0.00 0.00 0.00 -0.04 -1.26 -0.94 135.00 137.41 1lab n PRO 78 Ca 0.04 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1lab n PRO 78 Cb 0.41 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1lab n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lab n GLY 79 N 3.93 0.63 0.00 0.55 0.00 -1.26 -5.25 105.19 103.79 1lab n GLY 79 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60