#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 1.83 0.00 0.00 2.19 -1.23 -5.01 117.98 115.76 1lab s PHE 2 Ca 0.00 -0.77 0.00 0.00 0.33 0.00 0.00 56.93 56.49 1lab s PHE 2 Cb 0.00 -1.31 0.00 0.00 -1.31 0.00 0.00 43.02 40.40 1lab s PHE 2 CO 0.00 -0.38 0.00 -0.85 1.83 0.00 0.00 175.22 175.82 1lab n GLU 3 N 3.96 3.93 -0.05 10.12 -0.00 -1.26 -1.92 120.64 135.43 1lab n GLU 3 Ca -0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 56.86 1lab n GLU 3 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.92 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 0.00 -4.20 -1.84 7.35 -1.26 -4.85 117.46 112.65 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 -0.33 -0.11 0.00 0.35 0.00 0.00 39.48 39.39 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 -2.17 0.92 0.80 -4.13 -0.14 -1.26 -5.10 119.74 108.66 1lab s LYS 5 Ca -0.13 -1.20 -0.09 0.00 -1.36 0.00 0.00 55.97 53.19 1lab s LYS 5 Cb 0.05 -0.69 0.12 0.00 -1.68 0.00 0.00 37.83 35.62 1lab s LYS 5 CO 0.17 0.12 1.13 -0.51 -0.76 0.00 0.00 175.35 175.49 1lab s LEU 6 N -2.46 2.77 -0.82 3.17 1.43 -1.26 -4.67 118.68 116.84 1lab s LEU 6 Ca 0.07 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 1lab s LEU 6 Cb -0.04 -2.71 -0.19 0.00 0.03 0.00 0.00 46.19 43.29 1lab s LEU 6 CO 0.01 -2.03 2.12 -2.65 0.23 0.00 0.00 176.35 174.03 1lab n PRO 7 N -3.22 0.26 0.00 1.29 -0.02 -1.26 -4.38 135.00 127.67 1lab n PRO 7 Ca 0.11 -0.86 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 1lab n PRO 7 Cb 0.60 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 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 15.20 0.00 -3.92 2.55 -0.08 -1.26 -4.97 116.55 124.08 1lab n ASP 8 Ca 0.43 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.38 1lab n ASP 8 Cb 0.40 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.80 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 -0.98 0.00 -1.66 5.18 -5.35 -1.26 -4.84 119.36 110.45 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 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 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 -0.92 3.90 3.84 3.28 0.00 -1.25 -5.00 105.19 109.03 1lab n GLY 10 Ca 0.09 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 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 2.73 3.83 0.00 1.61 2.02 -1.26 -4.43 118.70 123.21 1lab s GLU 11 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1lab s GLU 11 Cb 0.00 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1lab s GLU 11 CO 0.00 0.67 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1lab n GLY 12 N 1.98 2.46 3.01 -1.39 0.00 -1.26 -4.98 105.19 105.01 1lab n GLY 12 Ca -0.15 -0.70 -0.22 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 0.93 0.00 -0.61 -1.09 -1.26 -5.00 121.20 114.17 1lab s ILE 13 Ca 0.00 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 1lab s ILE 13 Cb 0.00 -0.84 0.00 0.00 -1.58 0.00 0.00 42.46 40.04 1lab s ILE 13 CO 0.00 0.30 0.00 1.57 -1.23 0.00 0.00 174.94 175.58 1lab n HIS 14 N 3.52 0.00 -4.48 3.97 -0.00 -1.26 -3.97 115.22 112.99 1lab n HIS 14 Ca -0.21 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.73 1lab n HIS 14 Cb 0.53 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.32 1lab n HIS 14 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1lab s GLU 15 N -0.93 1.90 -0.07 1.57 1.03 -1.26 -1.80 118.70 119.15 1lab s GLU 15 Ca 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 54.97 52.85 1lab s GLU 15 Cb 0.00 -0.49 0.02 0.00 -0.80 0.00 0.00 34.13 32.87 1lab s GLU 15 CO 0.00 -0.50 -0.05 0.20 -1.33 0.00 0.00 175.26 173.58 1lab s GLY 16 N -3.57 0.58 -0.64 -3.83 0.00 0.69 -4.89 107.32 95.66 1lab s GLY 16 Ca 0.26 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 1lab s GLY 16 CO 0.16 0.63 0.59 1.85 0.00 0.00 0.00 173.10 176.33 1lab s GLU 17 N 1.29 3.19 -0.12 2.90 2.12 -1.26 -2.17 118.70 124.65 1lab s GLU 17 Ca -0.05 -1.99 -0.28 0.00 0.36 0.00 0.00 54.97 53.02 1lab s GLU 17 Cb -0.14 -4.33 -0.01 0.00 0.26 0.00 0.00 34.13 29.91 1lab s GLU 17 CO -0.02 -1.31 0.93 0.42 -0.54 0.00 0.00 175.26 174.73 1lab s ILE 18 N 1.06 4.83 -0.08 -3.70 1.01 -1.26 -2.06 121.20 121.00 1lab s ILE 18 Ca 0.09 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 62.56 1lab s ILE 18 Cb -0.23 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 1lab s ILE 18 CO -0.01 0.03 -0.07 0.58 0.00 0.00 0.00 174.94 175.47 1lab h VAL 19 N 5.11 0.00 -4.29 2.92 2.07 -1.70 -3.28 116.25 117.08 1lab h VAL 19 Ca -0.31 -0.60 -0.17 0.00 0.82 0.00 0.00 66.70 66.44 1lab h VAL 19 Cb 1.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 1lab h VAL 19 CO 0.84 0.00 -0.51 -0.75 0.02 0.00 0.00 177.57 177.18 1lab s LYS 20 N -1.59 1.16 0.46 1.57 2.36 -1.26 -4.32 119.74 118.12 1lab s LYS 20 Ca -0.06 -1.44 0.06 0.00 -2.55 0.00 0.00 55.97 51.99 1lab s LYS 20 Cb 0.01 0.31 -0.03 0.00 -1.05 0.00 0.00 37.83 37.07 1lab s LYS 20 CO 0.08 -0.39 0.21 -1.58 1.55 0.00 0.00 175.35 175.22 1lab s TRP 21 N -4.07 2.29 0.00 4.03 0.52 -1.26 -3.03 118.94 117.41 1lab s TRP 21 Ca 0.28 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.71 1lab s TRP 21 Cb 0.05 -1.91 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 1lab s TRP 21 CO 0.06 0.04 0.00 1.19 0.02 0.00 0.00 176.95 178.26 1lab n PHE 22 N -1.36 0.00 -3.06 -1.98 3.01 -1.04 -5.01 117.46 108.02 1lab n PHE 22 Ca -0.04 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.23 1lab n PHE 22 Cb 0.65 0.15 0.06 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 -1.95 2.12 0.29 -4.37 -7.23 -1.26 -5.06 120.40 102.95 1lab s VAL 23 Ca 0.00 -1.01 0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1lab s VAL 23 Cb 0.00 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1lab s VAL 23 CO 0.00 0.00 0.00 -1.59 -0.31 0.00 0.00 175.10 173.20 1lab s LYS 24 N -4.66 2.21 -0.15 4.82 0.00 -1.26 -5.09 119.74 115.61 1lab s LYS 24 Ca 0.61 -1.54 -0.29 0.00 0.00 0.00 0.00 55.97 54.75 1lab s LYS 24 Cb -0.06 -2.08 -0.01 0.00 0.00 0.00 0.00 37.83 35.68 1lab s LYS 24 CO 0.39 0.28 1.11 -1.25 0.00 0.00 0.00 175.35 175.87 1lab s PRO 25 N -3.69 4.32 0.00 1.78 0.04 -1.26 -3.28 135.00 132.90 1lab s PRO 25 Ca 0.33 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1lab s PRO 25 Cb -0.04 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1lab s PRO 25 CO 0.20 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1lab n GLY 26 N 3.32 1.99 3.70 0.56 0.00 0.19 -4.92 105.19 110.04 1lab n GLY 26 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1lab n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lab s ASP 27 N -1.80 2.12 -0.20 1.61 1.01 -1.21 -4.68 116.67 113.53 1lab s ASP 27 Ca 0.00 0.77 0.01 0.00 0.71 0.00 0.00 52.55 54.05 1lab s ASP 27 Cb 0.00 -1.16 0.03 0.00 1.01 0.00 0.00 42.92 42.80 1lab s ASP 27 CO 0.00 -3.40 -0.18 -1.61 0.21 0.00 0.00 175.17 170.20 1lab s GLU 28 N -5.34 2.80 0.52 8.23 2.02 -1.26 -1.90 118.70 123.76 1lab s GLU 28 Ca 0.69 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.78 1lab s GLU 28 Cb -0.12 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.48 1lab s GLU 28 CO 0.55 -0.30 0.42 0.54 0.02 0.00 0.00 175.26 176.50 1lab s VAL 29 N 1.24 1.91 -0.11 2.63 0.11 -1.20 -5.03 120.40 119.96 1lab s VAL 29 Ca 0.01 -1.43 0.15 0.00 -2.93 0.00 0.00 61.98 57.78 1lab s VAL 29 Cb -0.15 -2.34 -0.22 0.00 -1.53 0.00 0.00 36.38 32.14 1lab s VAL 29 CO -0.11 0.00 0.17 -3.20 -3.33 0.00 0.00 175.10 168.63 1lab n ASN 30 N -1.74 1.16 -3.02 3.54 4.05 -1.26 -4.26 115.26 113.73 1lab n ASN 30 Ca 0.01 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.75 1lab n ASN 30 Cb 0.64 1.21 0.03 0.00 1.23 0.00 0.00 39.78 42.88 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1lab n GLU 31 N -2.39 -1.45 -1.19 1.20 4.07 -1.26 -3.91 120.64 115.70 1lab n GLU 31 Ca -0.17 1.03 0.02 0.00 -0.06 0.00 0.00 57.16 57.98 1lab n GLU 31 Cb 0.80 -1.56 0.01 0.00 -0.06 0.00 0.00 31.44 30.63 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 -0.17 0.60 -1.12 4.31 5.75 -1.25 -2.01 116.55 122.66 1lab n ASP 32 Ca -0.09 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1lab n ASP 32 Cb 0.53 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.33 0.89 -4.51 -1.12 -0.08 -1.26 -4.88 116.55 105.93 1lab n ASP 33 Ca 0.02 -0.56 -0.25 0.00 -1.51 0.00 0.00 54.79 52.49 1lab n ASP 33 Cb 0.99 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.35 1lab n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1lab s VAL 34 N 0.74 2.30 0.00 5.18 1.01 -1.26 -3.40 120.40 124.97 1lab s VAL 34 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.70 1lab s VAL 34 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1lab s VAL 34 CO 0.00 -0.29 0.00 0.18 0.00 0.00 0.00 175.10 174.99 1lab n LEU 35 N -0.72 0.00 -4.58 3.92 4.32 -1.26 -4.13 117.00 114.55 1lab n LEU 35 Ca -0.05 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.67 1lab n LEU 35 Cb 0.62 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.32 1lab n LEU 35 CO 0.41 0.00 -0.27 0.00 -1.22 0.00 0.00 177.39 176.32 1lab s GLU 37 N -3.80 0.63 0.03 0.00 2.12 -1.17 -2.17 118.70 114.34 1lab s GLU 37 Ca 0.28 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1lab s GLU 37 Cb 0.07 -0.60 -0.02 0.00 0.26 0.00 0.00 34.13 33.83 1lab s GLU 37 CO 0.14 0.16 -0.04 0.08 -0.54 0.00 0.00 175.26 175.07 1lab s VAL 38 N -0.22 0.19 -0.18 3.70 1.01 -0.03 -1.84 120.40 123.04 1lab s VAL 38 Ca 0.03 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1lab s VAL 38 Cb -0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1lab s VAL 38 CO -0.00 -0.55 0.02 -1.58 0.00 0.00 0.00 175.10 172.99 1lab s GLN 39 N -1.80 3.79 0.12 2.72 2.00 -0.88 -2.76 119.66 122.85 1lab s GLN 39 Ca -0.12 -0.44 -0.03 0.00 -2.00 0.00 0.00 55.36 52.76 1lab s GLN 39 Cb -0.08 -3.10 0.01 0.00 0.80 0.00 0.00 33.01 30.65 1lab s GLN 39 CO -0.02 0.18 0.22 0.27 -0.50 0.00 0.00 175.29 175.44 1lab n ASN 40 N 3.76 -0.62 0.00 6.67 6.94 -0.25 -4.51 115.26 127.25 1lab n ASN 40 Ca -0.17 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1lab n ASN 40 Cb 0.52 1.07 0.00 0.00 -2.36 0.00 0.00 39.78 39.01 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 -1.45 0.00 0.00 0.53 5.68 -1.26 -2.62 116.55 117.43 1lab n ASP 41 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1lab n ASP 41 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 -0.85 2.80 -3.75 0.11 5.02 -1.26 -5.08 118.16 115.16 1lab n LYS 42 Ca 0.00 -0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 55.98 1lab n LYS 42 Cb 0.00 -0.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.42 3.84 0.00 7.82 0.00 -1.08 -5.01 121.76 126.91 1lab s ALA 43 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1lab s ALA 43 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1lab s ALA 43 CO 0.00 0.19 0.00 0.28 0.00 0.00 0.00 175.76 176.23 1lab n VAL 44 N -1.42 0.00 -4.08 0.00 0.31 -1.11 -1.09 118.33 110.94 1lab n VAL 44 Ca -0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.02 1lab n VAL 44 Cb 0.56 -0.55 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 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 -1.77 2.40 0.02 2.52 1.01 -1.12 -0.85 120.40 122.62 1lab s VAL 45 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1lab s VAL 45 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1lab s VAL 45 CO 0.00 -0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.46 1lab n GLU 46 N -1.26 0.00 -3.52 2.72 1.02 -1.08 -4.04 120.64 114.48 1lab n GLU 46 Ca -0.01 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 1lab n GLU 46 Cb 0.64 -0.11 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 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 -1.22 5.03 0.49 -3.67 1.09 -0.92 -5.03 121.20 116.97 1lab s ILE 47 Ca 0.00 0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.93 1lab s ILE 47 Cb 0.00 -3.63 0.07 0.00 -1.06 0.00 0.00 42.46 37.84 1lab s ILE 47 CO 0.00 0.01 0.58 -0.81 -0.10 0.00 0.00 174.94 174.62 1lab n PRO 48 N 0.05 0.70 -4.51 2.79 -0.04 -1.26 -4.66 135.00 128.07 1lab n PRO 48 Ca -0.01 -2.77 -0.26 0.00 -0.04 0.00 0.00 63.50 60.42 1lab n PRO 48 Cb 0.52 -0.04 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 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 -3.98 2.83 -0.12 3.54 0.01 -1.22 -4.98 113.70 109.77 1lab s SER 49 Ca 0.44 -1.74 0.17 0.00 1.31 0.00 0.00 55.95 56.13 1lab s SER 49 Cb -0.03 0.60 -0.25 0.00 0.21 0.00 0.00 66.02 66.55 1lab s SER 49 CO 0.28 -1.00 0.19 -0.81 0.41 0.00 0.00 173.24 172.31 1lab n PRO 50 N -0.94 0.90 -4.33 12.44 -0.04 -1.11 -3.77 135.00 138.17 1lab n PRO 50 Ca -0.05 -0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 1lab n PRO 50 Cb 0.64 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.75 1.57 0.38 0.52 0.11 -0.85 -4.65 120.40 114.72 1lab s VAL 51 Ca -0.08 -2.16 0.08 0.00 -2.93 0.00 0.00 61.98 56.88 1lab s VAL 51 Cb 0.08 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 1lab s VAL 51 CO 0.76 -0.60 0.33 -1.59 -3.33 0.00 0.00 175.10 170.67 1lab s LYS 52 N -3.68 2.61 0.00 1.54 0.00 -1.25 -4.52 119.74 114.44 1lab s LYS 52 Ca 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 55.97 54.76 1lab s LYS 52 Cb 0.01 -2.41 0.00 0.00 0.00 0.00 0.00 37.83 35.42 1lab s LYS 52 CO 0.06 -0.05 0.00 0.41 0.00 0.00 0.00 175.35 175.76 1lab n GLY 53 N -1.46 -0.72 3.93 0.59 0.00 -1.26 -4.45 105.19 101.82 1lab n GLY 53 Ca 0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 2.40 -0.52 1.61 2.47 -1.26 -3.24 119.74 120.03 1lab s LYS 54 Ca 0.00 -1.71 0.07 0.00 -1.56 0.00 0.00 55.97 52.77 1lab s LYS 54 Cb 0.00 -2.37 0.34 0.00 -1.46 0.00 0.00 37.83 34.34 1lab s LYS 54 CO 0.00 -0.51 0.87 0.28 0.16 0.00 0.00 175.35 176.15 1lab n VAL 55 N -1.81 2.05 0.00 4.02 0.31 -0.80 -3.57 118.33 118.53 1lab n VAL 55 Ca 0.05 -5.26 0.00 0.00 -0.01 0.00 0.00 64.34 59.12 1lab n VAL 55 Cb 0.62 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.01 0.00 -4.14 7.52 4.77 -1.25 0.57 117.00 124.46 1lab n LEU 56 Ca 0.29 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1lab n LEU 56 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1lab n LEU 56 CO 0.30 0.00 -0.31 -1.61 -1.33 0.00 0.00 177.39 174.44 1lab s GLU 57 N -0.97 0.87 -0.05 3.23 2.02 -1.26 -2.77 118.70 119.78 1lab s GLU 57 Ca 0.00 -1.40 0.02 0.00 0.02 0.00 0.00 54.97 53.61 1lab s GLU 57 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.46 1lab s GLU 57 CO 0.00 -0.22 -0.07 0.42 0.02 0.00 0.00 175.26 175.40 1lab s ILE 58 N -4.00 0.74 -0.18 -1.63 1.01 -1.26 -3.60 121.20 112.28 1lab s ILE 58 Ca 0.21 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 1lab s ILE 58 Cb 0.08 -0.71 -0.16 0.00 0.01 0.00 0.00 42.46 41.67 1lab s ILE 58 CO -0.01 0.26 0.21 -0.07 0.00 0.00 0.00 174.94 175.34 1lab h LEU 59 N 6.96 0.00 -8.80 2.97 4.07 -1.05 -3.46 115.31 116.00 1lab h LEU 59 Ca -0.35 -0.45 -0.69 0.00 0.08 0.00 0.00 57.88 56.46 1lab h LEU 59 Cb 1.17 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.65 1lab h LEU 59 CO 0.48 1.21 -0.82 -0.69 -1.08 0.00 0.00 178.44 177.53 1lab s VAL 60 N -2.27 2.63 0.00 1.22 1.01 -1.26 -5.10 120.40 116.64 1lab s VAL 60 Ca -0.23 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1lab s VAL 60 Cb 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1lab s VAL 60 CO 0.50 0.56 0.00 -0.81 0.00 0.00 0.00 175.10 175.35 1lab n PRO 61 N 2.28 0.00 -4.28 2.72 -0.04 -1.26 -4.88 135.00 129.53 1lab n PRO 61 Ca -0.17 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 1lab n PRO 61 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.63 1.16 0.00 0.54 -1.05 -1.26 -4.83 118.70 113.88 1lab s GLU 62 Ca 0.00 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.34 1lab s GLU 62 Cb 0.00 -0.83 0.00 0.00 -0.44 0.00 0.00 34.13 32.86 1lab s GLU 62 CO 0.00 0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.74 1lab n GLY 63 N -0.21 2.39 2.32 -3.83 0.00 -1.24 -5.04 105.19 99.58 1lab n GLY 63 Ca -0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.05 114.28 105.32 1lab n THR 64 Ca 0.00 -1.32 -0.29 0.00 -2.04 0.00 0.00 64.05 60.40 1lab n THR 64 Cb 0.00 -0.24 -0.09 0.00 -1.82 0.00 0.00 70.33 68.18 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 -1.63 3.45 0.31 12.58 1.01 -1.26 -4.28 120.40 130.58 1lab s VAL 65 Ca 0.20 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1lab s VAL 65 Cb -0.02 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1lab s VAL 65 CO 0.13 0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.18 1lab s ALA 66 N -1.33 2.70 0.00 5.51 0.00 -0.92 -4.96 121.76 122.76 1lab s ALA 66 Ca 0.23 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1lab s ALA 66 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1lab s ALA 66 CO 0.15 0.08 0.00 0.25 0.00 0.00 0.00 175.76 176.23 1lab n THR 67 N -0.68 0.00 -4.34 0.00 -2.24 -1.26 -0.22 114.28 105.53 1lab n THR 67 Ca -0.05 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 1lab n THR 67 Cb 0.63 -0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.51 1.91 0.00 2.28 1.01 -0.74 -4.46 120.40 121.91 1lab s VAL 68 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.12 1lab s VAL 68 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1lab s VAL 68 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1lab n GLY 69 N 0.46 2.62 3.90 4.51 0.00 -1.26 -4.78 105.19 110.64 1lab n GLY 69 Ca -0.14 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 3.53 0.49 1.61 0.74 -1.26 -5.07 119.66 119.69 1lab s GLN 70 Ca 0.00 0.30 0.06 0.00 0.05 0.00 0.00 55.36 55.76 1lab s GLN 70 Cb 0.00 -2.31 0.06 0.00 1.10 0.00 0.00 33.01 31.85 1lab s GLN 70 CO 0.00 -0.30 0.47 2.41 -0.55 0.00 0.00 175.29 177.32 1lab n THR 71 N -2.37 0.00 0.17 -0.34 -1.04 -1.26 -4.75 114.28 104.68 1lab n THR 71 Ca 0.02 -1.82 0.00 0.00 -2.04 0.00 0.00 64.05 60.20 1lab n THR 71 Cb 0.55 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -0.90 -4.25 -4.42 7.94 -1.26 -4.88 117.00 109.23 1lab n LEU 72 Ca 0.04 0.58 -0.14 0.00 -1.11 0.00 0.00 56.01 55.38 1lab n LEU 72 Cb 0.54 1.04 -0.10 0.00 0.53 0.00 0.00 43.42 45.43 1lab n LEU 72 CO 0.33 -0.61 -0.37 -0.51 -1.11 0.00 0.00 177.39 175.11 1lab s ILE 73 N -1.99 0.95 0.12 1.96 2.07 -1.26 -0.35 121.20 122.70 1lab s ILE 73 Ca 0.00 -2.02 -0.01 0.00 -1.41 0.00 0.00 60.65 57.21 1lab s ILE 73 Cb 0.00 -1.97 -0.04 0.00 0.13 0.00 0.00 42.46 40.58 1lab s ILE 73 CO 0.00 -0.63 0.05 0.28 -1.91 0.00 0.00 174.94 172.73 1lab s THR 74 N -3.47 0.12 0.02 4.00 -1.32 -1.24 -4.09 115.64 109.66 1lab s THR 74 Ca 0.20 -1.89 0.03 0.00 -1.21 0.00 0.00 61.69 58.81 1lab s THR 74 Cb 0.04 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 69.04 1lab s THR 74 CO 0.02 -0.52 -0.09 -0.22 -2.21 0.00 0.00 174.62 171.60 1lab s LEU 75 N -3.03 2.12 -0.73 9.08 0.20 -0.81 -3.96 118.68 121.55 1lab s LEU 75 Ca 0.22 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.74 1lab s LEU 75 Cb 0.07 -0.36 0.36 0.00 -0.43 0.00 0.00 46.19 45.83 1lab s LEU 75 CO 0.00 -0.01 1.47 -0.90 -0.29 0.00 0.00 176.35 176.63 1lab n ASP 76 N 2.26 6.02 -4.74 3.68 5.68 -1.23 -3.50 116.55 124.70 1lab n ASP 76 Ca -0.17 -3.73 -0.38 0.00 -0.50 0.00 0.00 54.79 50.01 1lab n ASP 76 Cb 0.56 -0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 39.67 1lab n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lab s ALA 77 N -3.86 3.50 0.62 2.12 0.00 -1.26 -4.54 121.76 118.34 1lab s ALA 77 Ca 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1lab s ALA 77 Cb 0.32 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.87 1lab s ALA 77 CO -0.22 0.09 0.87 -1.25 0.00 0.00 0.00 175.76 175.25 1lab s PRO 78 N 0.25 2.29 0.00 0.00 0.04 -1.26 -4.63 135.00 131.69 1lab s PRO 78 Ca 0.27 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1lab s PRO 78 Cb -0.16 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1lab s PRO 78 CO 0.12 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1lab n GLY 79 N -2.56 1.79 0.00 0.56 0.00 -1.26 -5.01 105.19 98.71 1lab n GLY 79 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60