#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 2.24 0.00 0.00 2.19 0.16 -4.94 117.98 117.63 1lab s PHE 2 Ca 0.00 -0.35 0.00 0.00 0.33 0.00 0.00 56.93 56.91 1lab s PHE 2 Cb 0.00 -0.99 0.00 0.00 -1.31 0.00 0.00 43.02 40.72 1lab s PHE 2 CO 0.00 0.67 0.00 -0.85 1.83 0.00 0.00 175.22 176.87 1lab n GLU 3 N -0.52 3.70 0.00 10.12 -0.00 -1.26 -3.27 120.64 129.41 1lab n GLU 3 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 1lab n GLU 3 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.04 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 -0.01 0.00 -4.27 -1.84 7.35 -1.26 -4.71 117.46 112.73 1lab n PHE 4 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1lab n PHE 4 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 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 -1.37 0.75 0.69 -4.13 -0.14 -1.26 -5.04 119.74 109.24 1lab s LYS 5 Ca 0.00 -0.63 -0.03 0.00 -1.36 0.00 0.00 55.97 53.95 1lab s LYS 5 Cb 0.00 -0.70 0.09 0.00 -1.68 0.00 0.00 37.83 35.54 1lab s LYS 5 CO 0.00 0.17 0.96 -0.51 -0.76 0.00 0.00 175.35 175.22 1lab s LEU 6 N -0.98 2.99 -0.21 3.17 1.43 -1.26 -4.88 118.68 118.94 1lab s LEU 6 Ca -0.01 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1lab s LEU 6 Cb -0.07 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 1lab s LEU 6 CO 0.01 -1.66 1.24 -2.65 0.23 0.00 0.00 176.35 173.52 1lab n PRO 7 N -2.80 0.02 0.00 1.29 -0.02 -1.26 -4.40 135.00 127.83 1lab n PRO 7 Ca 0.11 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1lab n PRO 7 Cb 0.60 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 6.50 0.00 -4.15 2.55 -0.08 -1.26 -5.01 116.55 115.10 1lab n ASP 8 Ca 0.11 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.02 1lab n ASP 8 Cb 0.47 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.86 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 -2.10 -0.05 0.00 5.18 -5.35 -1.26 -4.03 119.36 111.74 1lab n ILE 9 Ca 0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1lab n ILE 9 Cb 0.00 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 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 -1.07 0.00 3.19 3.28 0.00 -1.26 -5.06 105.19 104.27 1lab n GLY 10 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.69 0.00 1.61 1.02 -1.26 -4.90 120.64 117.80 1lab n GLU 11 Ca 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 1lab n GLU 11 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 1lab n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lab n GLY 12 N -0.75 0.00 2.58 0.62 0.00 -1.26 -0.50 105.19 105.88 1lab n GLY 12 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.59 0.84 1.84 -0.61 2.08 -1.26 -4.90 119.36 116.76 1lab n ILE 13 Ca 0.00 -4.51 0.09 0.00 0.56 0.00 0.00 62.75 58.90 1lab n ILE 13 Cb 0.00 -2.01 0.50 0.00 -0.75 0.00 0.00 39.64 37.38 1lab n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1lab n HIS 14 N 1.83 0.04 -4.32 1.39 1.44 0.35 -4.84 115.22 111.11 1lab n HIS 14 Ca 0.25 -0.02 -0.17 0.00 -2.01 0.00 0.00 57.72 55.77 1lab n HIS 14 Cb 0.42 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.48 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 -0.56 0.61 -3.59 -1.40 0.28 -1.26 -2.45 120.64 112.27 1lab n GLU 15 Ca 0.14 -2.40 -0.14 0.00 -0.16 0.00 0.00 57.16 54.59 1lab n GLU 15 Cb 0.12 1.43 -0.13 0.00 1.43 0.00 0.00 31.44 34.29 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 -2.73 -0.11 -0.39 -1.84 0.00 0.18 -4.89 107.32 97.53 1lab s GLY 16 Ca 0.17 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.51 1lab s GLY 16 CO 0.12 2.08 0.24 1.85 0.00 0.00 0.00 173.10 177.40 1lab s GLU 17 N 2.41 2.86 -0.22 2.90 2.12 -1.25 -0.90 118.70 126.62 1lab s GLU 17 Ca 0.04 -1.08 -0.11 0.00 0.36 0.00 0.00 54.97 54.18 1lab s GLU 17 Cb -0.13 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 1lab s GLU 17 CO -0.10 -0.73 0.19 0.42 -0.54 0.00 0.00 175.26 174.49 1lab s ILE 18 N 1.59 5.35 -0.13 -3.70 1.01 -1.24 -0.49 121.20 123.59 1lab s ILE 18 Ca 0.03 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1lab s ILE 18 Cb -0.19 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1lab s ILE 18 CO 0.08 0.36 -0.20 0.52 0.00 0.00 0.00 174.94 175.70 1lab n VAL 19 N 4.05 1.19 -4.19 2.92 0.31 0.60 -1.80 118.33 121.42 1lab n VAL 19 Ca -0.14 0.24 -0.18 0.00 -0.01 0.00 0.00 64.34 64.25 1lab n VAL 19 Cb 0.52 -2.22 -0.12 0.00 -0.91 0.00 0.00 33.84 31.11 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 -2.23 0.86 0.45 5.55 2.20 -1.19 -4.33 119.74 121.05 1lab s LYS 20 Ca -0.17 -1.02 0.05 0.00 -0.36 0.00 0.00 55.97 54.47 1lab s LYS 20 Cb 0.02 -0.84 -0.05 0.00 -1.51 0.00 0.00 37.83 35.45 1lab s LYS 20 CO 0.25 0.18 0.02 -1.58 -0.36 0.00 0.00 175.35 173.85 1lab s TRP 21 N -1.47 2.25 0.00 4.03 0.52 -1.26 -2.73 118.94 120.28 1lab s TRP 21 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1lab s TRP 21 Cb -0.09 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 1lab s TRP 21 CO 0.02 0.34 0.15 1.19 0.02 0.00 0.00 176.95 178.67 1lab n PHE 22 N -1.11 0.00 -2.94 -1.98 3.01 -1.26 -5.02 117.46 108.17 1lab n PHE 22 Ca -0.10 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.17 1lab n PHE 22 Cb 0.67 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.16 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 -0.04 2.85 -0.31 -4.37 -7.23 -1.26 -4.96 120.40 105.08 1lab s VAL 23 Ca 0.00 -0.93 0.18 0.00 -1.81 0.00 0.00 61.98 59.42 1lab s VAL 23 Cb 0.00 -2.92 0.47 0.00 0.56 0.00 0.00 36.38 34.48 1lab s VAL 23 CO 0.00 0.00 0.99 0.29 -0.31 0.00 0.00 175.10 176.07 1lab n LYS 24 N -1.99 1.34 0.00 4.82 4.01 -1.26 -4.81 118.16 120.28 1lab n LYS 24 Ca 0.09 -3.35 0.00 0.00 -0.51 0.00 0.00 58.31 54.54 1lab n LYS 24 Cb 0.59 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.76 1lab n LYS 24 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1lab n PRO 25 N -0.18 0.00 -0.71 1.97 -0.02 -1.26 -4.82 135.00 129.98 1lab n PRO 25 Ca 0.10 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1lab n PRO 25 Cb 0.81 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 34.42 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 0.00 3.34 0.00 -1.23 0.00 -1.26 -4.87 105.19 101.17 1lab n GLY 26 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.36 0.00 -4.44 1.61 2.03 -1.25 -2.84 116.55 111.30 1lab n ASP 27 Ca 0.33 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.26 1lab n ASP 27 Cb 1.15 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.44 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 3.33 0.28 -0.67 2.02 -1.26 0.02 118.70 122.42 1lab s GLU 28 Ca 0.00 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.35 1lab s GLU 28 Cb 0.00 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1lab s GLU 28 CO 0.00 -0.42 0.15 0.54 0.02 0.00 0.00 175.26 175.55 1lab s VAL 29 N 1.61 3.82 0.00 2.63 0.11 -0.44 -4.95 120.40 123.18 1lab s VAL 29 Ca 0.05 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1lab s VAL 29 Cb -0.17 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1lab s VAL 29 CO 0.06 -0.30 0.00 -0.46 -3.33 0.00 0.00 175.10 171.07 1lab n ASN 30 N -1.13 0.00 -3.38 3.54 0.23 -1.26 -2.99 115.26 110.27 1lab n ASN 30 Ca -0.06 -0.42 -0.27 0.00 -0.53 0.00 0.00 54.58 53.31 1lab n ASN 30 Cb 0.59 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.21 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1lab n GLU 31 N -0.42 2.34 0.02 -3.83 2.13 -1.26 -2.85 120.64 116.77 1lab n GLU 31 Ca 0.00 -4.51 0.00 0.00 0.66 0.00 0.00 57.16 53.31 1lab n GLU 31 Cb 0.00 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 29.57 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 0.87 -0.31 0.00 4.31 5.68 -1.11 -4.94 116.55 121.06 1lab n ASP 32 Ca 0.29 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 1lab n ASP 32 Cb 0.42 0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 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 -2.59 0.00 -4.69 -1.12 2.03 -1.26 -2.57 116.55 106.35 1lab n ASP 33 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 1lab n ASP 33 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.00 2.50 -0.24 5.18 1.01 -1.26 -4.66 120.40 122.94 1lab s VAL 34 Ca 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.10 1lab s VAL 34 Cb 0.00 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1lab s VAL 34 CO 0.00 -0.10 0.02 -1.48 0.00 0.00 0.00 175.10 173.54 1lab s LEU 35 N -3.81 3.21 0.54 3.92 -0.00 -1.24 -3.10 118.68 118.20 1lab s LEU 35 Ca 0.38 -0.28 -0.18 0.00 -0.00 0.00 0.00 54.13 54.04 1lab s LEU 35 Cb 0.02 -1.84 -0.06 0.00 -0.00 0.00 0.00 46.19 44.31 1lab s LEU 35 CO 0.21 -0.02 1.06 0.00 -0.00 0.00 0.00 176.35 177.60 1lab s GLU 37 N -3.56 2.69 0.05 0.00 2.02 -1.10 -2.65 118.70 116.15 1lab s GLU 37 Ca 0.67 -1.56 0.06 0.00 0.02 0.00 0.00 54.97 54.17 1lab s GLU 37 Cb -0.18 -3.96 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1lab s GLU 37 CO 0.28 -1.09 -0.14 0.08 0.02 0.00 0.00 175.26 174.40 1lab s VAL 38 N 1.47 3.06 0.15 2.63 1.01 -1.07 -0.29 120.40 127.36 1lab s VAL 38 Ca 0.04 -1.15 0.09 0.00 0.00 0.00 0.00 61.98 60.96 1lab s VAL 38 Cb -0.25 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1lab s VAL 38 CO 0.02 0.29 -0.13 -1.58 0.00 0.00 0.00 175.10 173.70 1lab s GLN 39 N -1.63 1.95 0.28 2.72 0.74 0.36 -0.45 119.66 123.62 1lab s GLN 39 Ca 0.17 -1.23 0.05 0.00 0.05 0.00 0.00 55.36 54.40 1lab s GLN 39 Cb -0.11 -2.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.84 1lab s GLN 39 CO 0.08 0.46 0.26 0.27 -0.55 0.00 0.00 175.29 175.80 1lab n ASN 40 N 0.38 -0.67 0.00 6.67 6.94 0.22 -3.91 115.26 124.89 1lab n ASN 40 Ca -0.13 -2.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.63 1lab n ASN 40 Cb 0.54 1.50 0.00 0.00 -2.36 0.00 0.00 39.78 39.46 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 -1.88 0.00 0.00 0.53 5.68 -1.26 -2.92 116.55 116.70 1lab n ASP 41 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1lab n ASP 41 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1lab n ASP 41 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1lab n LYS 42 N -0.62 1.75 -4.04 0.11 5.02 -1.26 -5.11 118.16 114.01 1lab n LYS 42 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1lab n LYS 42 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 35.03 34.83 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 -0.18 4.39 0.05 7.82 0.00 -1.15 -5.15 121.76 127.54 1lab s ALA 43 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1lab s ALA 43 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1lab s ALA 43 CO 0.00 -0.38 -0.13 0.08 0.00 0.00 0.00 175.76 175.33 1lab s VAL 44 N -2.79 1.05 0.30 0.00 1.01 -1.26 -0.61 120.40 118.10 1lab s VAL 44 Ca 0.29 -1.10 0.11 0.00 0.00 0.00 0.00 61.98 61.27 1lab s VAL 44 Cb -0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1lab s VAL 44 CO 0.18 -0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.32 1lab s VAL 45 N -1.03 2.35 -0.14 2.92 1.01 0.40 -4.96 120.40 120.96 1lab s VAL 45 Ca -0.01 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.66 1lab s VAL 45 Cb -0.09 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1lab s VAL 45 CO 0.02 -0.34 -0.18 -1.83 0.00 0.00 0.00 175.10 172.77 1lab s GLU 46 N -3.55 2.66 -0.74 2.72 -1.05 -1.26 -2.61 118.70 114.87 1lab s GLU 46 Ca 0.31 -0.71 0.01 0.00 -0.15 0.00 0.00 54.97 54.42 1lab s GLU 46 Cb -0.02 -2.27 0.18 0.00 -0.44 0.00 0.00 34.13 31.59 1lab s GLU 46 CO 0.15 -0.12 0.57 0.42 0.95 0.00 0.00 175.26 177.23 1lab s ILE 47 N 1.12 3.58 0.00 1.83 1.09 -1.08 -4.83 121.20 122.91 1lab s ILE 47 Ca -0.01 -3.79 0.00 0.00 -1.10 0.00 0.00 60.65 55.75 1lab s ILE 47 Cb -0.14 -3.30 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 1lab s ILE 47 CO -0.06 -0.99 0.00 -0.81 -0.10 0.00 0.00 174.94 172.97 1lab n PRO 48 N 2.50 -0.92 -3.60 2.79 -0.04 -1.18 -2.90 135.00 131.65 1lab n PRO 48 Ca 0.17 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.24 1lab n PRO 48 Cb 0.36 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.75 1lab n PRO 48 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1lab s SER 49 N -1.85 5.89 0.18 3.54 1.04 -1.06 -4.80 113.70 116.63 1lab s SER 49 Ca 0.00 -3.15 -0.03 0.00 0.48 0.00 0.00 55.95 53.24 1lab s SER 49 Cb 0.00 -1.96 0.32 0.00 0.10 0.00 0.00 66.02 64.48 1lab s SER 49 CO 0.00 -0.34 0.95 -2.65 0.98 0.00 0.00 173.24 172.18 1lab n PRO 50 N 3.15 -0.05 -4.29 4.02 -0.02 -1.26 -2.73 135.00 133.81 1lab n PRO 50 Ca 0.14 0.94 -0.16 0.00 -2.02 0.00 0.00 63.50 62.41 1lab n PRO 50 Cb 0.39 -1.43 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 1lab n PRO 50 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lab s VAL 51 N -5.70 0.91 0.48 -1.45 0.11 -1.26 -4.84 120.40 108.65 1lab s VAL 51 Ca -0.09 -2.02 0.08 0.00 -2.93 0.00 0.00 61.98 57.02 1lab s VAL 51 Cb 0.17 -2.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.81 1lab s VAL 51 CO 0.48 -0.40 0.57 -1.59 -3.33 0.00 0.00 175.10 170.83 1lab s LYS 52 N -3.88 2.55 0.00 1.54 0.00 -1.13 -4.58 119.74 114.24 1lab s LYS 52 Ca 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 55.97 54.73 1lab s LYS 52 Cb 0.06 -2.57 0.00 0.00 0.00 0.00 0.00 37.83 35.31 1lab s LYS 52 CO 0.07 -0.46 0.00 0.41 0.00 0.00 0.00 175.35 175.37 1lab n GLY 53 N -1.89 0.04 3.80 0.59 0.00 -1.16 -4.55 105.19 102.03 1lab n GLY 53 Ca 0.08 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.37 2.26 -0.55 1.61 2.47 -1.25 -1.33 119.74 121.58 1lab s LYS 54 Ca 0.00 -1.92 0.07 0.00 -1.56 0.00 0.00 55.97 52.56 1lab s LYS 54 Cb 0.00 -2.00 0.25 0.00 -1.46 0.00 0.00 37.83 34.61 1lab s LYS 54 CO 0.00 -0.29 0.66 0.28 0.16 0.00 0.00 175.35 176.17 1lab n VAL 55 N -1.42 1.24 0.00 4.02 0.31 0.10 -4.00 118.33 118.59 1lab n VAL 55 Ca -0.03 -4.78 0.00 0.00 -0.01 0.00 0.00 64.34 59.52 1lab n VAL 55 Cb 0.64 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.06 0.00 -4.11 7.52 4.77 -1.26 -3.93 117.00 121.05 1lab n LEU 56 Ca 0.27 0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 56.63 1lab n LEU 56 Cb 0.45 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1lab n LEU 56 CO 0.32 -0.04 -0.16 -1.83 -1.33 0.00 0.00 177.39 174.36 1lab s GLU 57 N -1.16 1.14 0.00 3.23 -1.05 -1.26 -4.94 118.70 114.66 1lab s GLU 57 Ca 0.00 -1.43 0.04 0.00 -0.15 0.00 0.00 54.97 53.43 1lab s GLU 57 Cb 0.00 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1lab s GLU 57 CO 0.00 -0.39 -0.12 0.42 0.95 0.00 0.00 175.26 176.13 1lab s ILE 58 N -4.07 0.93 -0.14 1.83 1.09 -1.26 -3.48 121.20 116.10 1lab s ILE 58 Ca 0.28 -0.59 -0.14 0.00 -1.10 0.00 0.00 60.65 59.09 1lab s ILE 58 Cb 0.05 -0.79 -0.05 0.00 -1.06 0.00 0.00 42.46 40.61 1lab s ILE 58 CO 0.06 0.20 -0.29 0.18 -0.10 0.00 0.00 174.94 174.99 1lab n LEU 59 N 2.61 1.77 -3.86 2.97 4.32 0.19 -4.79 117.00 120.21 1lab n LEU 59 Ca -0.15 0.29 -0.33 0.00 -0.02 0.00 0.00 56.01 55.81 1lab n LEU 59 Cb 0.56 -0.67 -0.07 0.00 -1.62 0.00 0.00 43.42 41.62 1lab n LEU 59 CO 0.24 -0.26 0.31 0.52 -1.22 0.00 0.00 177.39 176.98 1lab n VAL 60 N -4.25 2.89 0.00 4.08 0.31 -1.25 -5.02 118.33 115.10 1lab n VAL 60 Ca -0.15 -5.21 0.00 0.00 -0.01 0.00 0.00 64.34 58.96 1lab n VAL 60 Cb 0.47 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 1.69 0.00 -4.40 5.55 -0.04 -1.26 -4.83 135.00 131.72 1lab n PRO 61 Ca 0.24 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.64 1lab n PRO 61 Cb 0.37 -0.82 -0.08 0.00 -0.04 0.00 0.00 33.50 32.93 1lab n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1lab n GLU 62 N -0.49 0.50 0.00 0.54 -0.00 -1.26 -4.81 120.64 115.11 1lab n GLU 62 Ca 0.00 -3.50 0.00 0.00 -0.00 0.00 0.00 57.16 53.66 1lab n GLU 62 Cb 0.00 2.33 0.00 0.00 -0.00 0.00 0.00 31.44 33.77 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 -0.80 1.02 3.98 -1.84 0.00 -0.75 -4.89 105.19 101.92 1lab n GLY 63 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 2.12 0.11 2.61 2.01 -1.26 -4.95 115.64 116.28 1lab s THR 64 Ca 0.00 -1.16 0.09 0.00 0.31 0.00 0.00 61.69 60.93 1lab s THR 64 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1lab s THR 64 CO 0.00 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.02 1lab s VAL 65 N -2.65 2.60 0.35 3.82 1.01 -1.26 -3.71 120.40 120.55 1lab s VAL 65 Ca 0.52 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1lab s VAL 65 Cb -0.05 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 1lab s VAL 65 CO 0.33 0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 1lab s ALA 66 N -1.07 2.84 0.00 5.51 0.00 -0.07 -4.94 121.76 124.03 1lab s ALA 66 Ca 0.16 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1lab s ALA 66 Cb -0.10 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1lab s ALA 66 CO 0.08 -0.03 0.00 -2.37 0.00 0.00 0.00 175.76 173.43 1lab n THR 67 N -0.79 0.00 -4.39 0.00 5.66 -1.26 0.47 114.28 113.96 1lab n THR 67 Ca -0.05 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.67 1lab n THR 67 Cb 0.65 -0.06 -0.13 0.00 -1.55 0.00 0.00 70.33 69.24 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 1.56 2.25 0.00 1.08 1.01 -1.03 -4.45 120.40 120.82 1lab s VAL 68 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1lab s VAL 68 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1lab s VAL 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1lab n GLY 69 N 0.69 3.02 3.99 4.51 0.00 -1.26 -4.70 105.19 111.44 1lab n GLY 69 Ca -0.16 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 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 3.16 0.32 1.61 0.74 -1.26 -5.12 119.66 119.11 1lab s GLN 70 Ca 0.00 -0.98 0.03 0.00 0.05 0.00 0.00 55.36 54.46 1lab s GLN 70 Cb 0.00 -2.83 0.03 0.00 1.10 0.00 0.00 33.01 31.32 1lab s GLN 70 CO 0.00 0.12 0.28 2.41 -0.55 0.00 0.00 175.29 177.54 1lab n THR 71 N -1.60 0.00 0.04 -0.34 -1.04 -1.26 -4.79 114.28 105.29 1lab n THR 71 Ca -0.01 -1.21 0.00 0.00 -2.04 0.00 0.00 64.05 60.78 1lab n THR 71 Cb 0.58 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 0.03 -4.24 -4.42 7.94 -1.26 -4.78 117.00 110.27 1lab n LEU 72 Ca 0.01 0.12 -0.14 0.00 -1.11 0.00 0.00 56.01 54.89 1lab n LEU 72 Cb 0.35 0.07 -0.10 0.00 0.53 0.00 0.00 43.42 44.27 1lab n LEU 72 CO 0.21 -0.58 -0.32 -0.51 -1.11 0.00 0.00 177.39 175.08 1lab s ILE 73 N -1.28 0.64 0.10 1.96 2.07 -1.26 -0.64 121.20 122.79 1lab s ILE 73 Ca 0.00 -1.98 0.01 0.00 -1.41 0.00 0.00 60.65 57.27 1lab s ILE 73 Cb 0.00 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.38 1lab s ILE 73 CO 0.00 -0.42 -0.03 0.28 -1.91 0.00 0.00 174.94 172.86 1lab s THR 74 N -3.69 0.50 0.04 4.00 -1.32 -1.23 -4.00 115.64 109.94 1lab s THR 74 Ca 0.25 -1.91 0.01 0.00 -1.21 0.00 0.00 61.69 58.84 1lab s THR 74 Cb 0.06 -1.76 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 1lab s THR 74 CO 0.05 -0.79 -0.05 -0.22 -2.21 0.00 0.00 174.62 171.39 1lab s LEU 75 N -3.03 2.31 -0.10 9.08 0.20 -1.20 -4.22 118.68 121.71 1lab s LEU 75 Ca 0.14 -0.64 0.02 0.00 0.69 0.00 0.00 54.13 54.35 1lab s LEU 75 Cb 0.06 -0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.79 1lab s LEU 75 CO -0.04 -0.31 -0.18 1.51 -0.29 0.00 0.00 176.35 177.03 1lab s ASP 76 N -1.87 3.58 -0.37 3.68 1.47 -1.26 0.35 116.67 122.26 1lab s ASP 76 Ca -0.08 -0.42 0.12 0.00 1.18 0.00 0.00 52.55 53.35 1lab s ASP 76 Cb -0.06 -1.37 0.35 0.00 -0.34 0.00 0.00 42.92 41.49 1lab s ASP 76 CO -0.02 0.19 0.74 0.00 0.68 0.00 0.00 175.17 176.76 1lab n ALA 77 N 3.34 1.94 -0.59 2.11 0.00 -1.26 -3.74 120.51 122.31 1lab n ALA 77 Ca -0.18 -3.36 -0.25 0.00 0.00 0.00 0.00 53.44 49.66 1lab n ALA 77 Cb 0.53 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 1lab n ALA 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1lab n PRO 78 N 0.30 0.00 0.00 0.00 -0.04 -1.26 -3.16 135.00 130.84 1lab n PRO 78 Ca 0.24 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1lab n PRO 78 Cb 0.66 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 4.32 0.14 0.00 0.55 0.00 -1.26 -5.23 105.19 103.70 1lab n GLY 79 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1lab n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30