#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 2.39 0.00 0.00 2.19 0.64 -4.91 117.98 118.29 1lab s PHE 2 Ca 0.00 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 56.82 1lab s PHE 2 Cb 0.00 -1.53 0.00 0.00 -1.31 0.00 0.00 43.02 40.18 1lab s PHE 2 CO 0.00 -0.03 0.00 -0.85 1.83 0.00 0.00 175.22 176.17 1lab n GLU 3 N 2.49 3.54 0.00 10.12 -0.00 -1.26 -1.99 120.64 133.54 1lab n GLU 3 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1lab n GLU 3 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 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 -0.03 0.00 -4.44 -1.84 7.35 -1.26 -4.87 117.46 112.38 1lab n PHE 4 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1lab n PHE 4 Cb 0.00 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.72 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 -1.62 1.62 0.72 -4.13 -0.14 -1.26 -5.11 119.74 109.83 1lab s LYS 5 Ca 0.00 -1.89 -0.01 0.00 -1.36 0.00 0.00 55.97 52.71 1lab s LYS 5 Cb 0.00 -0.86 0.12 0.00 -1.68 0.00 0.00 37.83 35.42 1lab s LYS 5 CO 0.00 -0.17 1.00 -0.51 -0.76 0.00 0.00 175.35 174.91 1lab s LEU 6 N -3.47 2.98 -1.10 3.17 1.43 -1.26 -4.87 118.68 115.55 1lab s LEU 6 Ca 0.36 -0.32 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1lab s LEU 6 Cb 0.08 -2.04 -0.22 0.00 0.03 0.00 0.00 46.19 44.04 1lab s LEU 6 CO 0.15 -1.86 2.10 -2.84 0.23 0.00 0.00 176.35 174.13 1lab s PRO 7 N -5.15 1.23 0.00 1.29 0.02 -1.26 -4.10 135.00 127.03 1lab s PRO 7 Ca 0.66 -0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.17 1lab s PRO 7 Cb -0.06 -5.00 0.00 0.00 0.02 0.00 0.00 34.50 29.46 1lab s PRO 7 CO 0.44 -5.47 0.00 -3.47 -0.33 0.00 0.00 177.00 168.17 1lab n ASP 8 N 19.46 0.00 -3.28 2.53 -0.08 -1.26 -4.96 116.55 128.96 1lab n ASP 8 Ca 0.41 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.51 1lab n ASP 8 Cb 0.47 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.89 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 -0.99 0.00 0.00 5.18 -5.35 -1.26 -4.78 119.36 112.15 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 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 -0.73 1.35 3.69 3.28 0.00 -1.26 -4.96 105.19 106.56 1lab n GLY 10 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 2.50 3.72 0.00 1.61 2.02 -1.26 -4.64 118.70 122.66 1lab s GLU 11 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1lab s GLU 11 Cb 0.00 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1lab s GLU 11 CO 0.00 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1lab n GLY 12 N 3.02 2.41 2.96 -1.39 0.00 -1.26 -4.99 105.19 105.94 1lab n GLY 12 Ca -0.17 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 0.65 -0.01 -0.61 -1.09 -1.26 -4.98 121.20 113.89 1lab s ILE 13 Ca 0.00 -0.26 -0.00 0.00 -2.23 0.00 0.00 60.65 58.16 1lab s ILE 13 Cb 0.00 -0.61 -0.01 0.00 -1.58 0.00 0.00 42.46 40.27 1lab s ILE 13 CO 0.00 0.22 -0.01 1.57 -1.23 0.00 0.00 174.94 175.49 1lab n HIS 14 N 3.52 0.00 -4.36 3.97 -0.00 -1.26 -4.17 115.22 112.91 1lab n HIS 14 Ca -0.20 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.33 1lab n HIS 14 Cb 0.53 -0.04 -0.10 0.00 -0.00 0.00 0.00 29.99 30.38 1lab n HIS 14 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1lab s GLU 15 N -2.02 1.44 0.06 1.57 1.03 -1.26 0.49 118.70 120.02 1lab s GLU 15 Ca -0.01 -1.76 0.05 0.00 0.03 0.00 0.00 54.97 53.28 1lab s GLU 15 Cb 0.00 -0.65 -0.03 0.00 -0.80 0.00 0.00 34.13 32.66 1lab s GLU 15 CO 0.02 -0.15 -0.14 0.20 -1.33 0.00 0.00 175.26 173.87 1lab s GLY 16 N -3.36 0.83 -0.62 -3.83 0.00 -0.09 -4.96 107.32 95.29 1lab s GLY 16 Ca 0.32 -0.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 1lab s GLY 16 CO 0.11 -0.97 0.60 1.85 0.00 0.00 0.00 173.10 174.69 1lab s GLU 17 N -1.63 3.14 -0.35 2.90 2.12 -1.26 -3.69 118.70 119.94 1lab s GLU 17 Ca -0.02 -1.82 -0.26 0.00 0.36 0.00 0.00 54.97 53.23 1lab s GLU 17 Cb -0.10 -4.34 0.01 0.00 0.26 0.00 0.00 34.13 29.97 1lab s GLU 17 CO 0.02 -1.36 0.93 0.42 -0.54 0.00 0.00 175.26 174.73 1lab s ILE 18 N 1.46 4.60 -0.25 -3.70 -1.09 -1.26 -2.30 121.20 118.66 1lab s ILE 18 Ca 0.08 1.27 -0.14 0.00 -2.23 0.00 0.00 60.65 59.63 1lab s ILE 18 Cb -0.24 -4.32 -0.15 0.00 -1.58 0.00 0.00 42.46 36.17 1lab s ILE 18 CO 0.01 -0.49 -0.17 0.52 -1.23 0.00 0.00 174.94 173.58 1lab n VAL 19 N 5.90 1.54 -4.03 2.92 0.31 -1.09 -3.09 118.33 120.79 1lab n VAL 19 Ca 0.07 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 1lab n VAL 19 Cb 0.48 -1.86 -0.13 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.48 0.33 0.41 5.55 2.36 -1.25 -4.71 119.74 119.95 1lab s LYS 20 Ca -0.35 -0.38 0.07 0.00 -2.55 0.00 0.00 55.97 52.76 1lab s LYS 20 Cb 0.12 -0.17 -0.05 0.00 -1.05 0.00 0.00 37.83 36.67 1lab s LYS 20 CO 0.54 0.04 0.17 -1.58 1.55 0.00 0.00 175.35 176.07 1lab s TRP 21 N -0.70 2.59 0.01 4.03 0.52 -1.26 -1.93 118.94 122.21 1lab s TRP 21 Ca -0.05 -0.60 0.00 0.00 0.02 0.00 0.00 56.10 55.47 1lab s TRP 21 Cb -0.05 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 1lab s TRP 21 CO -0.00 0.19 0.00 1.19 0.02 0.00 0.00 176.95 178.35 1lab n PHE 22 N -1.23 -0.02 -3.07 -1.98 3.01 -0.68 -5.00 117.46 108.50 1lab n PHE 22 Ca -0.01 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.26 1lab n PHE 22 Cb 0.65 0.04 0.04 0.00 -0.01 0.00 0.00 39.48 40.19 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 2.47 0.22 -4.37 -7.23 -1.26 -5.07 120.40 103.17 1lab s VAL 23 Ca 0.00 -1.02 0.10 0.00 -1.81 0.00 0.00 61.98 59.25 1lab s VAL 23 Cb 0.00 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1lab s VAL 23 CO 0.00 0.00 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.09 1lab s LYS 24 N -4.52 1.96 0.48 4.82 0.00 -1.26 -5.08 119.74 116.14 1lab s LYS 24 Ca 0.58 -1.44 -0.23 0.00 0.00 0.00 0.00 55.97 54.87 1lab s LYS 24 Cb -0.07 -2.04 -0.07 0.00 0.00 0.00 0.00 37.83 35.65 1lab s LYS 24 CO 0.36 0.39 1.29 -1.25 0.00 0.00 0.00 175.35 176.14 1lab s PRO 25 N -3.15 3.58 0.00 1.78 0.04 -1.26 -3.76 135.00 132.23 1lab s PRO 25 Ca 0.27 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1lab s PRO 25 Cb -0.07 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1lab s PRO 25 CO 0.15 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1lab n GLY 26 N 0.61 0.86 3.89 0.56 0.00 0.83 -5.02 105.19 106.92 1lab n GLY 26 Ca 0.07 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.22 5.09 -0.46 1.61 2.15 -1.24 -4.87 116.67 116.74 1lab s ASP 27 Ca 0.00 -0.72 0.03 0.00 0.43 0.00 0.00 52.55 52.28 1lab s ASP 27 Cb 0.00 -0.57 0.14 0.00 -0.30 0.00 0.00 42.92 42.19 1lab s ASP 27 CO 0.00 -0.67 0.27 -1.61 -0.17 0.00 0.00 175.17 172.99 1lab s GLU 28 N -4.15 1.38 1.11 4.34 2.02 -1.26 -0.76 118.70 121.38 1lab s GLU 28 Ca 0.49 -2.15 -0.18 0.00 0.02 0.00 0.00 54.97 53.15 1lab s GLU 28 Cb -0.04 -2.40 0.25 0.00 0.10 0.00 0.00 34.13 32.05 1lab s GLU 28 CO 0.28 -1.19 1.21 0.54 0.02 0.00 0.00 175.26 176.13 1lab s VAL 29 N 0.16 1.76 -0.12 2.63 0.11 -1.23 -4.98 120.40 118.74 1lab s VAL 29 Ca 0.19 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.36 1lab s VAL 29 Cb -0.21 -2.72 -0.16 0.00 -1.53 0.00 0.00 36.38 31.77 1lab s VAL 29 CO -0.03 0.00 0.05 -3.20 -3.33 0.00 0.00 175.10 168.60 1lab n ASN 30 N -4.35 1.85 -3.49 3.54 5.15 -1.26 -4.33 115.26 112.36 1lab n ASN 30 Ca 0.15 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.86 1lab n ASN 30 Cb 0.59 0.84 0.02 0.00 -0.53 0.00 0.00 39.78 40.70 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 -2.46 -1.78 -1.16 1.20 4.07 -1.26 -4.06 120.64 115.20 1lab n GLU 31 Ca -0.20 1.26 0.01 0.00 -0.06 0.00 0.00 57.16 58.17 1lab n GLU 31 Cb 0.90 -2.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 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 -1.28 0.42 -1.91 4.31 5.75 -1.26 -3.45 116.55 119.13 1lab n ASP 32 Ca -0.14 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1lab n ASP 32 Cb 0.64 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1lab n ASP 32 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lab n ASP 33 N 0.29 1.22 -4.50 -1.12 8.00 -1.26 -4.97 116.55 114.20 1lab n ASP 33 Ca -0.01 -0.96 -0.25 0.00 0.71 0.00 0.00 54.79 54.29 1lab n ASP 33 Cb 0.95 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.95 1lab n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lab s VAL 34 N -0.15 2.38 0.00 2.53 1.01 -1.26 -3.68 120.40 121.23 1lab s VAL 34 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.66 1lab s VAL 34 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1lab s VAL 34 CO 0.00 -0.31 0.00 0.18 0.00 0.00 0.00 175.10 174.97 1lab n LEU 35 N -0.70 0.00 -4.62 3.92 4.32 -1.26 -4.41 117.00 114.25 1lab n LEU 35 Ca -0.05 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.66 1lab n LEU 35 Cb 0.62 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.33 1lab n LEU 35 CO 0.40 0.00 -0.25 0.00 -1.22 0.00 0.00 177.39 176.32 1lab s GLU 37 N -3.80 0.71 0.05 0.00 2.12 -0.81 -2.03 118.70 114.93 1lab s GLU 37 Ca 0.22 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.24 1lab s GLU 37 Cb 0.05 -0.69 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 1lab s GLU 37 CO 0.11 0.19 -0.05 0.08 -0.54 0.00 0.00 175.26 175.05 1lab s VAL 38 N -0.21 0.40 -0.20 3.70 1.01 0.19 -2.67 120.40 122.61 1lab s VAL 38 Ca 0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 1lab s VAL 38 Cb -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1lab s VAL 38 CO -0.00 -0.61 -0.06 -1.58 0.00 0.00 0.00 175.10 172.85 1lab s GLN 39 N -2.36 3.40 0.29 2.72 0.74 -0.97 -1.63 119.66 121.85 1lab s GLN 39 Ca -0.05 -0.63 -0.20 0.00 0.05 0.00 0.00 55.36 54.53 1lab s GLN 39 Cb -0.04 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.16 1lab s GLN 39 CO -0.03 -0.09 0.72 0.54 -0.55 0.00 0.00 175.29 175.88 1lab s ASN 40 N 1.18 -0.23 0.00 6.67 4.22 -0.36 -4.34 114.94 122.08 1lab s ASN 40 Ca 0.02 -0.67 0.00 0.00 -2.14 0.00 0.00 52.86 50.07 1lab s ASN 40 Cb -0.14 0.73 0.00 0.00 1.28 0.00 0.00 41.25 43.12 1lab s ASN 40 CO -0.01 -1.37 0.00 -0.90 -2.04 0.00 0.00 177.10 172.78 1lab n ASP 41 N -0.54 0.00 0.00 3.54 5.75 -1.26 -0.26 116.55 123.78 1lab n ASP 41 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1lab n ASP 41 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 -0.48 -0.20 -4.04 0.11 5.02 -1.26 -5.07 118.16 112.23 1lab n LYS 42 Ca 0.00 -0.31 -0.27 0.00 -2.02 0.00 0.00 58.31 55.71 1lab n LYS 42 Cb 0.00 -0.80 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.06 3.69 0.00 7.82 0.00 0.64 -4.98 121.76 128.87 1lab s ALA 43 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1lab s ALA 43 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1lab s ALA 43 CO 0.00 0.54 0.00 0.28 0.00 0.00 0.00 175.76 176.58 1lab n VAL 44 N -0.33 0.00 -4.05 0.00 0.31 -0.64 -1.22 118.33 112.40 1lab n VAL 44 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.03 1lab n VAL 44 Cb 0.54 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.65 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 -1.85 4.28 0.03 2.52 1.01 -1.21 0.55 120.40 125.73 1lab s VAL 45 Ca 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 61.98 60.59 1lab s VAL 45 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1lab s VAL 45 CO 0.00 -0.32 -0.00 -0.62 0.00 0.00 0.00 175.10 174.16 1lab n GLU 46 N -1.22 0.00 -3.40 2.72 1.02 -1.02 -4.18 120.64 114.56 1lab n GLU 46 Ca -0.07 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.74 1lab n GLU 46 Cb 0.58 -0.16 -0.06 0.00 -0.02 0.00 0.00 31.44 31.78 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 -1.29 4.91 0.57 -3.67 1.09 -0.86 -5.01 121.20 116.93 1lab s ILE 47 Ca -0.00 0.63 0.09 0.00 -1.10 0.00 0.00 60.65 60.27 1lab s ILE 47 Cb 0.00 -3.67 0.08 0.00 -1.06 0.00 0.00 42.46 37.81 1lab s ILE 47 CO 0.00 0.10 0.76 -2.16 -0.10 0.00 0.00 174.94 173.54 1lab s PRO 48 N -2.37 2.30 0.29 2.79 0.04 -1.26 -4.62 135.00 132.18 1lab s PRO 48 Ca 0.42 -1.67 0.02 0.00 0.04 0.00 0.00 61.00 59.81 1lab s PRO 48 Cb -0.13 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1lab s PRO 48 CO 0.20 -0.84 0.08 0.43 0.04 0.00 0.00 177.00 176.91 1lab n SER 49 N -2.21 1.45 -0.10 6.66 7.64 -1.24 -4.97 113.62 120.85 1lab n SER 49 Ca 0.14 -2.50 -0.10 0.00 1.01 0.00 0.00 58.87 57.43 1lab n SER 49 Cb 0.62 0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 64.29 1lab n SER 49 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1lab n PRO 50 N -0.67 0.79 -4.15 1.43 -0.04 -1.25 -4.27 135.00 126.84 1lab n PRO 50 Ca -0.06 -0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 1lab n PRO 50 Cb 0.42 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1lab n PRO 50 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lab s VAL 51 N -2.48 0.37 0.41 0.52 0.11 -1.22 -4.80 120.40 113.31 1lab s VAL 51 Ca -0.11 -1.90 0.07 0.00 -2.93 0.00 0.00 61.98 57.12 1lab s VAL 51 Cb 0.06 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 1lab s VAL 51 CO 0.80 -0.72 0.22 -1.59 -3.33 0.00 0.00 175.10 170.47 1lab s LYS 52 N -3.94 2.29 0.00 1.54 0.00 -1.26 -4.67 119.74 113.70 1lab s LYS 52 Ca 0.16 -1.78 0.00 0.00 0.00 0.00 0.00 55.97 54.35 1lab s LYS 52 Cb 0.07 -2.06 0.00 0.00 0.00 0.00 0.00 37.83 35.84 1lab s LYS 52 CO -0.03 -0.12 0.00 0.41 0.00 0.00 0.00 175.35 175.61 1lab n GLY 53 N -1.29 -0.69 3.73 0.59 0.00 -1.25 -4.56 105.19 101.72 1lab n GLY 53 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 0.02 -3.82 1.61 3.00 -1.26 -3.50 118.16 114.22 1lab n LYS 54 Ca 0.00 -2.67 -0.30 0.00 -0.00 0.00 0.00 58.31 55.34 1lab n LYS 54 Cb 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 35.03 34.31 1lab n LYS 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1lab s VAL 55 N -2.88 1.39 0.00 3.15 1.01 0.06 -4.00 120.40 119.14 1lab s VAL 55 Ca 0.63 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1lab s VAL 55 Cb -0.04 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1lab s VAL 55 CO 0.41 -0.69 0.06 0.18 0.00 0.00 0.00 175.10 175.06 1lab n LEU 56 N 4.46 0.00 -4.17 3.92 4.77 -1.26 -0.12 117.00 124.60 1lab n LEU 56 Ca 0.01 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1lab n LEU 56 Cb 0.41 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1lab n LEU 56 CO 0.17 0.00 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.33 1lab s GLU 57 N -0.11 1.00 -0.05 3.23 2.02 -1.26 -3.18 118.70 120.34 1lab s GLU 57 Ca 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 54.97 53.54 1lab s GLU 57 Cb 0.00 0.19 -0.00 0.00 0.10 0.00 0.00 34.13 34.42 1lab s GLU 57 CO 0.00 -0.27 -0.16 0.42 0.02 0.00 0.00 175.26 175.27 1lab s ILE 58 N -4.03 1.37 -0.18 -1.63 1.09 -1.26 -3.59 121.20 112.97 1lab s ILE 58 Ca 0.27 -0.67 -0.14 0.00 -1.10 0.00 0.00 60.65 59.00 1lab s ILE 58 Cb 0.07 -1.19 -0.08 0.00 -1.06 0.00 0.00 42.46 40.21 1lab s ILE 58 CO 0.04 0.40 -0.20 0.18 -0.10 0.00 0.00 174.94 175.26 1lab n LEU 59 N 3.23 1.88 -4.10 2.97 4.32 -0.44 -4.74 117.00 120.11 1lab n LEU 59 Ca -0.19 0.47 -0.36 0.00 -0.02 0.00 0.00 56.01 55.91 1lab n LEU 59 Cb 0.53 -0.84 -0.11 0.00 -1.62 0.00 0.00 43.42 41.39 1lab n LEU 59 CO 0.25 -0.16 -0.05 -0.69 -1.22 0.00 0.00 177.39 175.52 1lab s VAL 60 N -2.51 3.50 0.00 4.08 1.01 -1.26 -5.01 120.40 120.21 1lab s VAL 60 Ca -0.25 -2.62 0.00 0.00 0.00 0.00 0.00 61.98 59.11 1lab s VAL 60 Cb 0.05 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1lab s VAL 60 CO 0.38 -0.80 0.18 -2.65 0.00 0.00 0.00 175.10 172.20 1lab n PRO 61 N 3.90 0.00 -4.19 2.72 -0.02 -1.26 -4.92 135.00 131.23 1lab n PRO 61 Ca 0.04 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.40 1lab n PRO 61 Cb 0.39 -0.64 -0.10 0.00 -0.02 0.00 0.00 33.50 33.13 1lab n PRO 61 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1lab s GLU 62 N -0.35 0.99 0.00 -0.52 -1.05 -1.26 -4.80 118.70 111.71 1lab s GLU 62 Ca 0.00 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1lab s GLU 62 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 1lab s GLU 62 CO 0.00 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.45 1lab n GLY 63 N -0.15 2.88 0.91 -3.83 0.00 -1.18 -4.99 105.19 98.83 1lab n GLY 63 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.62 2.61 -1.04 -1.26 -5.04 114.28 104.93 1lab n THR 64 Ca 0.00 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.05 61.29 1lab n THR 64 Cb 0.00 -1.10 -0.12 0.00 -1.82 0.00 0.00 70.33 67.29 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 -0.23 2.99 0.07 12.58 1.01 -1.26 -4.50 120.40 131.06 1lab s VAL 65 Ca 0.15 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.12 1lab s VAL 65 Cb -0.01 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1lab s VAL 65 CO 0.10 0.36 -0.19 0.00 0.00 0.00 0.00 175.10 175.36 1lab s ALA 66 N -0.94 1.62 0.00 5.51 0.00 -1.24 -5.01 121.76 121.70 1lab s ALA 66 Ca 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1lab s ALA 66 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1lab s ALA 66 CO 0.06 0.33 0.00 0.25 0.00 0.00 0.00 175.76 176.39 1lab n THR 67 N 1.46 0.00 -4.32 0.00 -2.24 -1.26 -0.91 114.28 107.01 1lab n THR 67 Ca -0.19 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 1lab n THR 67 Cb 0.54 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 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 1.67 3.11 0.00 2.28 1.01 0.18 -4.35 120.40 124.29 1lab s VAL 68 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1lab s VAL 68 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1lab s VAL 68 CO 0.00 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1lab n GLY 69 N -0.16 2.94 3.89 4.51 0.00 -1.26 -4.79 105.19 110.32 1lab n GLY 69 Ca -0.10 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 2.89 0.51 1.61 0.74 -1.26 -5.09 119.66 119.06 1lab s GLN 70 Ca 0.00 -1.16 0.07 0.00 0.05 0.00 0.00 55.36 54.32 1lab s GLN 70 Cb 0.00 -2.60 0.09 0.00 1.10 0.00 0.00 33.01 31.60 1lab s GLN 70 CO 0.00 0.14 0.71 2.41 -0.55 0.00 0.00 175.29 178.00 1lab n THR 71 N -1.42 0.00 0.00 -0.34 -1.04 -1.26 -4.78 114.28 105.44 1lab n THR 71 Ca -0.03 -1.58 0.00 0.00 -2.04 0.00 0.00 64.05 60.41 1lab n THR 71 Cb 0.59 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 0.00 -4.23 -4.42 7.94 -1.26 -4.78 117.00 110.25 1lab n LEU 72 Ca 0.14 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.91 1lab n LEU 72 Cb 0.50 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.35 1lab n LEU 72 CO 0.33 -0.40 -0.40 -0.51 -1.11 0.00 0.00 177.39 175.29 1lab s ILE 73 N -0.80 1.04 0.13 1.96 2.07 -1.26 -1.33 121.20 123.01 1lab s ILE 73 Ca 0.00 -2.01 0.00 0.00 -1.41 0.00 0.00 60.65 57.23 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 -0.77 0.02 0.28 -1.91 0.00 0.00 174.94 172.56 1lab s THR 74 N -3.36 0.35 0.06 4.00 -1.32 -1.24 -4.07 115.64 110.06 1lab s THR 74 Ca 0.15 -1.92 0.01 0.00 -1.21 0.00 0.00 61.69 58.72 1lab s THR 74 Cb 0.03 -1.97 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1lab s THR 74 CO -0.01 -0.57 -0.06 -0.22 -2.21 0.00 0.00 174.62 171.55 1lab s LEU 75 N -3.07 2.39 0.05 9.08 0.20 -0.84 -4.16 118.68 122.33 1lab s LEU 75 Ca 0.21 -0.80 0.09 0.00 0.69 0.00 0.00 54.13 54.32 1lab s LEU 75 Cb 0.07 -0.05 -0.03 0.00 -0.43 0.00 0.00 46.19 45.75 1lab s LEU 75 CO 0.00 -0.38 -0.26 1.51 -0.29 0.00 0.00 176.35 176.93 1lab s ASP 76 N -2.37 3.17 -0.40 3.68 1.47 -1.26 -0.26 116.67 120.70 1lab s ASP 76 Ca 0.01 -0.60 0.03 0.00 1.18 0.00 0.00 52.55 53.17 1lab s ASP 76 Cb -0.01 -0.28 0.16 0.00 -0.34 0.00 0.00 42.92 42.45 1lab s ASP 76 CO -0.03 0.25 0.36 0.00 0.68 0.00 0.00 175.17 176.43 1lab s ALA 77 N -0.83 0.57 -0.05 2.11 0.00 -1.26 -3.75 121.76 118.55 1lab s ALA 77 Ca 0.12 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.24 1lab s ALA 77 Cb -0.10 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1lab s ALA 77 CO 0.02 -2.06 0.92 -0.35 0.00 0.00 0.00 175.76 174.29 1lab n PRO 78 N 3.37 0.23 0.00 0.00 -0.04 -1.26 -2.99 135.00 134.31 1lab n PRO 78 Ca 0.21 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1lab n PRO 78 Cb 0.46 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 3.33 0.31 0.00 0.55 0.00 -1.26 -5.24 105.19 102.87 1lab n GLY 79 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1lab n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30