#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4c n GLY 1 N 0.00 2.01 3.77 5.00 0.00 -1.26 -4.93 105.19 109.78 2a4c n GLY 1 Ca 0.00 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2a4c n GLY 1 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a4c s TRP 2 N -1.77 2.93 -0.35 1.61 0.52 -1.26 -5.00 118.94 115.61 2a4c s TRP 2 Ca 0.37 1.40 -0.04 0.00 0.02 0.00 0.00 56.10 57.86 2a4c s TRP 2 Cb 0.24 -3.68 0.07 0.00 -1.15 0.00 0.00 33.47 28.95 2a4c s TRP 2 CO 0.18 -2.00 0.11 0.08 0.02 0.00 0.00 176.95 175.34 2a4c s VAL 3 N -1.20 3.32 -1.01 4.03 1.01 -1.26 -4.93 120.40 120.36 2a4c s VAL 3 Ca 0.53 -1.58 0.10 0.00 0.00 0.00 0.00 61.98 61.04 2a4c s VAL 3 Cb -0.39 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2a4c s VAL 3 CO 0.51 -0.35 0.67 0.79 0.00 0.00 0.00 175.10 176.72 2a4c n TRP 4 N 4.67 0.00 -1.74 5.22 7.02 -1.26 -4.73 117.44 126.61 2a4c n TRP 4 Ca -0.09 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.04 2a4c n TRP 4 Cb 0.43 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.37 2a4c n TRP 4 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2a4c n ASN 5 N -0.12 7.07 -3.88 -0.99 6.94 -1.26 -4.81 115.26 118.21 2a4c n ASN 5 Ca 0.05 -3.80 -0.22 0.00 -0.02 0.00 0.00 54.58 50.58 2a4c n ASN 5 Cb 0.23 -0.90 -0.17 0.00 -2.36 0.00 0.00 39.78 36.58 2a4c n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2a4c s GLN 6 N -3.87 0.98 0.78 -3.83 -2.07 -1.26 -2.19 119.66 108.20 2a4c s GLN 6 Ca 0.57 -0.10 -0.04 0.00 -1.82 0.00 0.00 55.36 53.96 2a4c s GLN 6 Cb 0.46 -1.06 0.15 0.00 -1.09 0.00 0.00 33.01 31.47 2a4c s GLN 6 CO -0.18 -0.16 1.08 -0.06 -1.32 0.00 0.00 175.29 174.65 2a4c s PHE 7 N 1.30 1.50 0.06 9.60 0.40 -0.55 -4.96 117.98 125.33 2a4c s PHE 7 Ca -0.04 -0.17 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 2a4c s PHE 7 Cb -0.14 -3.25 -0.00 0.00 0.51 0.00 0.00 43.02 40.15 2a4c s PHE 7 CO -0.02 -1.96 0.16 -0.59 0.70 0.00 0.00 175.22 173.51 2a4c s PHE 8 N -3.32 0.14 -0.04 0.36 -0.12 -1.26 -1.41 117.98 112.33 2a4c s PHE 8 Ca 0.68 -0.48 0.02 0.00 -0.05 0.00 0.00 56.93 57.11 2a4c s PHE 8 Cb -0.05 -0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2a4c s PHE 8 CO 0.46 -0.46 -0.09 0.14 -0.05 0.00 0.00 175.22 175.23 2a4c s VAL 9 N -3.15 0.82 -0.09 -2.49 -7.23 -0.30 -4.88 120.40 103.07 2a4c s VAL 9 Ca -0.00 -0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 2a4c s VAL 9 Cb 0.02 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 2a4c s VAL 9 CO -0.07 0.27 1.10 -0.63 -0.31 0.00 0.00 175.10 175.46 2a4c s ILE 10 N 0.50 4.53 0.19 -0.62 -1.09 -1.26 0.10 121.20 123.54 2a4c s ILE 10 Ca -0.08 1.82 -0.23 0.00 -2.23 0.00 0.00 60.65 59.93 2a4c s ILE 10 Cb -0.12 -4.17 0.10 0.00 -1.58 0.00 0.00 42.46 36.69 2a4c s ILE 10 CO 0.01 -0.01 1.56 -0.33 -1.23 0.00 0.00 174.94 174.95 2a4c h GLU 11 N 7.30 -0.12 0.00 2.79 5.08 -1.63 -1.42 114.58 126.59 2a4c h GLU 11 Ca -0.32 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2a4c h GLU 11 Cb 1.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2a4c h GLU 11 CO 0.87 -0.08 0.00 -0.85 -1.00 0.00 0.00 179.01 177.96 2a4c n GLU 12 N -5.41 0.41 -0.00 2.33 0.28 -1.26 -1.05 120.64 115.93 2a4c n GLU 12 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.09 2a4c n GLU 12 Cb 0.36 -1.04 -0.06 0.00 1.43 0.00 0.00 31.44 32.13 2a4c n GLU 12 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2a4c n TYR 13 N -0.54 0.00 -1.54 -1.84 0.53 -0.54 -5.01 117.16 108.23 2a4c n TYR 13 Ca 0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.57 2a4c n TYR 13 Cb 0.00 -0.11 0.06 0.00 -1.03 0.00 0.00 39.34 38.26 2a4c n TYR 13 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2a4c s THR 14 N -2.25 3.52 -3.18 -0.72 -4.23 -0.22 -4.82 115.64 103.74 2a4c s THR 14 Ca -0.00 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2a4c s THR 14 Cb 0.06 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2a4c s THR 14 CO 0.36 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2a4c n GLY 15 N -1.19 -0.84 0.02 3.99 0.00 -1.10 -4.69 105.19 101.38 2a4c n GLY 15 Ca 0.09 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.22 2a4c n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a4c n PRO 16 N 0.00 0.03 -3.32 1.61 -0.04 -1.26 -3.18 135.00 128.85 2a4c n PRO 16 Ca 0.00 0.20 -0.39 0.00 -0.04 0.00 0.00 63.50 63.27 2a4c n PRO 16 Cb 0.00 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 2a4c n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a4c s ASP 17 N -3.20 6.45 0.16 3.54 1.01 -1.26 -4.89 116.67 118.48 2a4c s ASP 17 Ca 0.09 0.54 -0.33 0.00 0.71 0.00 0.00 52.55 53.56 2a4c s ASP 17 Cb 0.12 -2.26 -0.13 0.00 1.01 0.00 0.00 42.92 41.67 2a4c s ASP 17 CO 0.36 -0.16 1.69 -2.65 0.21 0.00 0.00 175.17 174.63 2a4c n PRO 18 N 4.88 2.50 -4.35 8.23 -0.02 -1.26 -4.85 135.00 140.14 2a4c n PRO 18 Ca -0.06 0.91 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 2a4c n PRO 18 Cb 0.51 -2.73 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 2a4c n PRO 18 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a4c s VAL 19 N 1.46 4.29 0.11 -1.45 1.01 -0.77 -4.89 120.40 120.17 2a4c s VAL 19 Ca 0.79 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 2a4c s VAL 19 Cb -0.58 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2a4c s VAL 19 CO 0.36 0.58 1.56 -0.22 0.00 0.00 0.00 175.10 177.37 2a4c s LEU 20 N -0.58 4.36 -0.25 3.92 2.96 -1.26 -1.19 118.68 126.64 2a4c s LEU 20 Ca 0.10 2.48 0.04 0.00 -0.22 0.00 0.00 54.13 56.53 2a4c s LEU 20 Cb -0.12 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 42.81 2a4c s LEU 20 CO 0.02 -0.81 -0.19 0.52 -1.32 0.00 0.00 176.35 174.58 2a4c n VAL 21 N 4.29 1.46 0.00 1.68 0.31 -0.38 -4.91 118.33 120.77 2a4c n VAL 21 Ca 0.14 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2a4c n VAL 21 Cb 0.40 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2a4c n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a4c n GLY 22 N 2.20 -0.29 3.14 2.92 0.00 -1.24 -4.47 105.19 107.47 2a4c n GLY 22 Ca -0.44 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 2a4c n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a4c s ARG 23 N -2.00 1.91 0.31 1.61 3.52 -1.26 0.24 118.95 123.27 2a4c s ARG 23 Ca 0.00 -0.63 -0.14 0.00 -0.13 0.00 0.00 55.73 54.84 2a4c s ARG 23 Cb 0.00 -1.63 -0.08 0.00 -1.56 0.00 0.00 34.95 31.68 2a4c s ARG 23 CO 0.00 0.23 0.70 -0.51 -0.81 0.00 0.00 175.30 174.91 2a4c s LEU 24 N 0.10 4.07 -0.29 -0.88 1.43 0.10 -4.97 118.68 118.24 2a4c s LEU 24 Ca -0.06 1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 54.10 2a4c s LEU 24 Cb -0.12 -4.00 0.13 0.00 0.03 0.00 0.00 46.19 42.23 2a4c s LEU 24 CO 0.03 -0.19 0.81 -2.28 0.23 0.00 0.00 176.35 174.95 2a4c s HIS 25 N -1.97 -0.96 0.14 0.29 2.46 -1.26 -4.54 115.29 109.45 2a4c s HIS 25 Ca 0.53 1.75 -0.01 0.00 0.47 0.00 0.00 55.06 57.80 2a4c s HIS 25 Cb -0.10 0.58 -0.04 0.00 -0.13 0.00 0.00 32.58 32.88 2a4c s HIS 25 CO 0.19 -0.48 0.32 0.45 -2.47 0.00 0.00 174.74 172.75 2a4c s SER 26 N 2.21 6.40 0.00 9.88 0.15 -1.26 -4.99 113.70 126.10 2a4c s SER 26 Ca -0.07 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.24 2a4c s SER 26 Cb -0.07 -2.01 1.23 0.00 -1.71 0.00 0.00 66.02 63.46 2a4c s SER 26 CO -0.18 0.06 1.88 -0.90 1.20 0.00 0.00 173.24 175.29 2a4c n ASP 27 N -0.16 0.00 -0.11 5.45 5.68 -1.26 -2.11 116.55 124.04 2a4c n ASP 27 Ca -0.04 0.22 0.15 0.00 -0.50 0.00 0.00 54.79 54.61 2a4c n ASP 27 Cb 0.52 -0.40 0.74 0.00 -1.14 0.00 0.00 41.12 40.84 2a4c n ASP 27 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2a4c n ILE 28 N -1.40 0.00 -2.05 2.12 -5.35 -1.26 -4.79 119.36 106.64 2a4c n ILE 28 Ca 0.09 -0.06 -0.42 0.00 -0.27 0.00 0.00 62.75 62.09 2a4c n ILE 28 Cb 0.26 -0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 37.93 2a4c n ILE 28 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a4c s ASP 29 N -2.25 6.70 -0.09 7.28 -1.08 -0.90 -4.90 116.67 121.43 2a4c s ASP 29 Ca 0.37 2.21 0.18 0.00 -0.52 0.00 0.00 52.55 54.79 2a4c s ASP 29 Cb 0.21 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.77 2a4c s ASP 29 CO 0.42 -0.89 1.55 -1.54 0.52 0.00 0.00 175.17 175.22 2a4c n SER 30 N 6.81 4.35 -2.01 -0.34 3.41 -1.26 -4.95 113.62 119.63 2a4c n SER 30 Ca 0.17 -2.39 -0.15 0.00 -0.26 0.00 0.00 58.87 56.23 2a4c n SER 30 Cb 0.43 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2a4c n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a4c n GLY 31 N 0.94 -0.18 0.00 5.00 0.00 -1.26 -4.88 105.19 104.81 2a4c n GLY 31 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2a4c n GLY 31 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a4c n ASP 32 N -1.08 1.87 0.00 1.61 5.75 -1.26 -5.00 116.55 118.43 2a4c n ASP 32 Ca -0.11 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2a4c n ASP 32 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 2a4c n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a4c n GLY 33 N -0.45 0.36 0.18 6.12 0.00 -1.26 -4.88 105.19 105.25 2a4c n GLY 33 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2a4c n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2a4c h ASN 34 N 0.00 0.00 -2.98 1.61 2.35 -1.95 -3.44 115.58 111.17 2a4c h ASN 34 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 2a4c h ASN 34 Cb 0.32 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 2a4c h ASN 34 CO 0.00 0.00 -0.37 -0.51 -1.65 0.00 0.00 177.43 174.90 2a4c s ILE 35 N -3.28 5.32 -0.15 2.81 2.07 -1.26 0.36 121.20 127.07 2a4c s ILE 35 Ca 0.06 0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 59.75 2a4c s ILE 35 Cb 0.09 -3.55 -0.01 0.00 0.13 0.00 0.00 42.46 39.12 2a4c s ILE 35 CO 0.57 0.53 -0.10 -0.75 -1.91 0.00 0.00 174.94 173.27 2a4c s LYS 36 N -0.49 3.42 -0.15 3.50 2.20 0.03 -4.69 119.74 123.56 2a4c s LYS 36 Ca 0.17 -0.65 -0.16 0.00 -0.36 0.00 0.00 55.97 54.96 2a4c s LYS 36 Cb -0.13 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 2a4c s LYS 36 CO 0.06 0.14 0.40 0.71 -0.36 0.00 0.00 175.35 176.31 2a4c s TYR 37 N 0.55 3.46 -0.03 4.03 1.51 0.91 -1.50 117.35 126.28 2a4c s TYR 37 Ca -0.07 0.73 0.06 0.00 -1.01 0.00 0.00 57.07 56.78 2a4c s TYR 37 Cb -0.15 -2.49 -0.01 0.00 -0.11 0.00 0.00 41.96 39.20 2a4c s TYR 37 CO 0.03 0.14 -0.21 0.42 -1.11 0.00 0.00 175.55 174.82 2a4c s ILE 38 N 0.77 1.67 -0.03 2.71 1.01 -0.02 -4.42 121.20 122.89 2a4c s ILE 38 Ca 0.21 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 60.03 2a4c s ILE 38 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2a4c s ILE 38 CO 0.08 0.47 -0.17 -0.22 0.00 0.00 0.00 174.94 175.10 2a4c s LEU 39 N -0.28 2.57 0.23 2.97 2.96 -1.26 0.20 118.68 126.06 2a4c s LEU 39 Ca 0.02 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 2a4c s LEU 39 Cb -0.10 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2a4c s LEU 39 CO 0.01 0.33 0.37 -0.94 -1.32 0.00 0.00 176.35 174.80 2a4c s SER 40 N -0.77 -0.02 0.00 3.68 1.04 -0.37 -4.89 113.70 112.37 2a4c s SER 40 Ca 0.11 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2a4c s SER 40 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2a4c s SER 40 CO 0.01 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2a4c n GLY 41 N -0.34 -0.02 3.61 7.32 0.00 -1.26 -0.68 105.19 113.82 2a4c n GLY 41 Ca -0.01 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2a4c n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a4c s GLU 42 N 0.00 3.51 0.00 1.61 2.02 -0.93 -2.05 118.70 122.87 2a4c s GLU 42 Ca 0.00 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.60 2a4c s GLU 42 Cb 0.00 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.07 2a4c s GLU 42 CO 0.00 -1.65 0.00 0.41 0.02 0.00 0.00 175.26 174.04 2a4c n GLY 43 N 5.16 0.95 3.70 -1.39 0.00 -1.26 -4.70 105.19 107.65 2a4c n GLY 43 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2a4c n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4c s ALA 44 N -3.36 3.78 0.00 4.61 0.00 -0.87 -1.68 121.76 124.24 2a4c s ALA 44 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2a4c s ALA 44 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2a4c s ALA 44 CO 0.00 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2a4c n GLY 45 N 4.13 0.87 0.00 0.00 0.00 0.20 -4.83 105.19 105.55 2a4c n GLY 45 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2a4c n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a4c n THR 46 N -2.09 0.00 -0.13 2.61 -2.24 -0.80 -4.91 114.28 106.72 2a4c n THR 46 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2a4c n THR 46 Cb 0.00 -0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.14 2a4c n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2a4c h ILE 47 N 0.00 0.63 -3.32 2.28 1.08 -1.64 -3.41 117.51 113.12 2a4c h ILE 47 Ca 0.00 -0.02 -0.66 0.00 -0.39 0.00 0.00 64.86 63.79 2a4c h ILE 47 Cb 0.00 0.56 -0.28 0.00 -3.07 0.00 0.00 36.82 34.02 2a4c h ILE 47 CO 0.00 0.01 -0.79 -0.36 -0.69 0.00 0.00 178.15 176.32 2a4c s PHE 48 N -6.19 2.77 -0.03 1.37 0.40 -0.70 0.33 117.98 115.93 2a4c s PHE 48 Ca -0.14 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.48 2a4c s PHE 48 Cb 0.15 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 2a4c s PHE 48 CO 0.71 -0.28 -0.16 0.08 0.70 0.00 0.00 175.22 176.28 2a4c s VAL 49 N 0.42 1.28 0.06 -0.44 1.01 -0.05 0.59 120.40 123.27 2a4c s VAL 49 Ca -0.11 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2a4c s VAL 49 Cb -0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2a4c s VAL 49 CO 0.05 0.37 -0.18 -0.51 0.00 0.00 0.00 175.10 174.83 2a4c s ILE 50 N -0.14 2.81 -0.34 2.22 2.07 -1.26 0.04 121.20 126.60 2a4c s ILE 50 Ca 0.01 -1.26 -0.20 0.00 -1.41 0.00 0.00 60.65 57.80 2a4c s ILE 50 Cb -0.09 -2.21 -0.00 0.00 0.13 0.00 0.00 42.46 40.29 2a4c s ILE 50 CO 0.01 0.28 0.59 -0.62 -1.91 0.00 0.00 174.94 173.29 2a4c s ASP 51 N -1.61 6.41 0.00 4.50 2.15 -0.48 -4.94 116.67 122.70 2a4c s ASP 51 Ca 0.15 0.19 0.16 0.00 0.43 0.00 0.00 52.55 53.48 2a4c s ASP 51 Cb -0.11 -2.31 0.71 0.00 -0.30 0.00 0.00 42.92 40.92 2a4c s ASP 51 CO 0.06 -0.52 1.50 -0.90 -0.17 0.00 0.00 175.17 175.15 2a4c n ASP 52 N 5.90 0.00 -0.08 -0.34 3.85 -1.26 -0.46 116.55 124.16 2a4c n ASP 52 Ca -0.02 0.40 -0.10 0.00 -0.71 0.00 0.00 54.79 54.36 2a4c n ASP 52 Cb 0.49 -0.45 -0.06 0.00 -1.35 0.00 0.00 41.12 39.75 2a4c n ASP 52 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 2a4c h LYS 53 N 0.00 0.00 0.07 0.11 3.64 -1.89 0.26 116.57 118.77 2a4c h LYS 53 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 2a4c h LYS 53 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2a4c h LYS 53 CO 0.00 0.43 -1.15 0.66 -2.27 0.00 0.00 179.45 177.12 2a4c h SER 54 N -1.00 0.24 0.00 4.20 4.64 -1.91 -3.47 113.55 116.26 2a4c h SER 54 Ca -0.10 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2a4c h SER 54 Cb 0.70 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2a4c h SER 54 CO -0.06 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 2a4c n GLY 55 N 1.46 0.74 3.71 -0.77 0.00 0.39 -4.76 105.19 105.97 2a4c n GLY 55 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2a4c n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a4c s ASN 56 N -2.19 6.67 -0.08 1.61 0.01 -1.25 0.00 114.94 119.72 2a4c s ASN 56 Ca 0.00 2.47 -0.04 0.00 -0.71 0.00 0.00 52.86 54.58 2a4c s ASN 56 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 2a4c s ASN 56 CO 0.00 -0.79 0.11 -0.63 -1.51 0.00 0.00 177.10 174.28 2a4c s ILE 57 N 1.58 5.10 0.07 0.60 1.01 0.14 -1.38 121.20 128.31 2a4c s ILE 57 Ca 0.69 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.33 2a4c s ILE 57 Cb -0.40 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2a4c s ILE 57 CO 0.31 0.53 -0.12 -1.00 0.00 0.00 0.00 174.94 174.65 2a4c s HIS 58 N -1.07 1.08 -0.18 3.97 3.76 0.11 -1.25 115.29 121.70 2a4c s HIS 58 Ca 0.18 -0.49 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 2a4c s HIS 58 Cb -0.12 -0.61 -0.05 0.00 1.11 0.00 0.00 32.58 32.91 2a4c s HIS 58 CO 0.08 0.02 0.21 0.00 -0.85 0.00 0.00 174.74 174.20 2a4c s ALA 59 N -1.45 3.64 -1.92 -1.40 0.00 -0.33 -0.87 121.76 119.42 2a4c s ALA 59 Ca -0.03 -0.58 0.20 0.00 0.00 0.00 0.00 51.96 51.56 2a4c s ALA 59 Cb -0.09 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.74 2a4c s ALA 59 CO 0.02 0.10 1.02 0.25 0.00 0.00 0.00 175.76 177.15 2a4c n THR 60 N 3.60 0.00 -4.26 0.00 -2.24 0.15 -1.85 114.28 109.69 2a4c n THR 60 Ca -0.14 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 2a4c n THR 60 Cb 0.52 1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 69.90 2a4c n THR 60 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2a4c s LYS 61 N -2.24 1.22 0.36 -0.78 2.20 -1.19 -4.57 119.74 114.74 2a4c s LYS 61 Ca 0.17 -1.63 -0.27 0.00 -0.36 0.00 0.00 55.97 53.89 2a4c s LYS 61 Cb 0.16 -0.16 -0.09 0.00 -1.51 0.00 0.00 37.83 36.24 2a4c s LYS 61 CO 0.50 -0.24 1.17 0.99 -0.36 0.00 0.00 175.35 177.41 2a4c s THR 62 N -3.79 3.18 0.07 3.43 2.01 -1.21 -2.69 115.64 116.64 2a4c s THR 62 Ca 0.31 1.06 0.08 0.00 0.31 0.00 0.00 61.69 63.45 2a4c s THR 62 Cb 0.07 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2a4c s THR 62 CO 0.08 0.16 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.19 2a4c s LEU 63 N -2.16 2.23 -0.15 4.42 1.43 -1.26 -4.88 118.68 118.31 2a4c s LEU 63 Ca 0.53 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2a4c s LEU 63 Cb -0.32 -1.04 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2a4c s LEU 63 CO 0.41 0.15 0.05 -0.62 0.23 0.00 0.00 176.35 176.57 2a4c s ASP 64 N -1.53 2.30 0.53 2.29 3.68 -1.26 -4.78 116.67 117.89 2a4c s ASP 64 Ca 0.09 -0.53 0.35 0.00 2.13 0.00 0.00 52.55 54.59 2a4c s ASP 64 Cb -0.10 -0.38 1.74 0.00 -1.45 0.00 0.00 42.92 42.73 2a4c s ASP 64 CO 0.03 -0.30 2.06 0.08 0.13 0.00 0.00 175.17 177.17 2a4c h ARG 65 N 8.35 0.00 -0.21 4.34 0.11 -1.83 0.13 114.38 125.26 2a4c h ARG 65 Ca -0.16 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 2a4c h ARG 65 Cb 1.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 2a4c h ARG 65 CO 0.29 0.00 0.13 1.49 0.10 0.00 0.00 179.97 181.97 2a4c h GLU 66 N 0.00 0.29 0.06 0.08 4.57 -1.95 -3.16 114.58 114.47 2a4c h GLU 66 Ca 0.00 -0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.89 2a4c h GLU 66 Cb 0.20 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2a4c h GLU 66 CO 0.00 0.24 -1.09 0.93 -1.18 0.00 0.00 179.01 177.91 2a4c h GLU 67 N 0.26 0.49 -1.97 1.92 5.08 -1.25 -3.44 114.58 115.66 2a4c h GLU 67 Ca 0.08 -0.60 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 2a4c h GLU 67 Cb 0.03 0.19 -0.26 0.00 0.50 0.00 0.00 28.75 29.20 2a4c h GLU 67 CO -0.01 1.23 -0.36 1.03 -1.00 0.00 0.00 179.01 179.89 2a4c s ARG 68 N -3.09 0.40 0.25 2.33 1.81 -0.24 -5.02 118.95 115.39 2a4c s ARG 68 Ca -0.07 0.90 0.12 0.00 -1.72 0.00 0.00 55.73 54.96 2a4c s ARG 68 Cb 0.07 0.14 0.18 0.00 -0.45 0.00 0.00 34.95 34.90 2a4c s ARG 68 CO 0.90 -0.45 1.49 0.00 -0.68 0.00 0.00 175.30 176.56 2a4c h ALA 69 N 8.13 0.71 -2.50 2.13 0.00 -1.81 -3.33 119.26 122.59 2a4c h ALA 69 Ca -0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 2a4c h ALA 69 Cb 1.13 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.58 2a4c h ALA 69 CO 0.20 0.83 -0.15 -1.14 0.00 0.00 0.00 179.25 178.99 2a4c s GLN 70 N -3.18 0.56 -0.14 0.00 0.74 -1.26 -1.03 119.66 115.35 2a4c s GLN 70 Ca 0.01 0.76 0.02 0.00 0.05 0.00 0.00 55.36 56.20 2a4c s GLN 70 Cb 0.10 0.21 0.01 0.00 1.10 0.00 0.00 33.01 34.44 2a4c s GLN 70 CO 0.76 -0.09 -0.20 0.71 -0.55 0.00 0.00 175.29 175.92 2a4c s TYR 71 N 0.61 2.48 -0.26 1.67 1.51 0.06 -4.97 117.35 118.45 2a4c s TYR 71 Ca -0.03 -1.27 -0.13 0.00 -1.01 0.00 0.00 57.07 54.64 2a4c s TYR 71 Cb -0.05 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2a4c s TYR 71 CO -0.04 -0.60 0.28 0.99 -1.11 0.00 0.00 175.55 175.07 2a4c s THR 72 N 0.95 5.26 0.46 -0.71 2.01 -1.26 -0.04 115.64 122.30 2a4c s THR 72 Ca -0.05 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.37 2a4c s THR 72 Cb -0.15 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2a4c s THR 72 CO -0.03 0.24 0.09 0.18 -0.69 0.00 0.00 174.62 174.40 2a4c n LEU 73 N 4.90 0.00 -3.97 4.42 4.32 0.77 -2.18 117.00 125.26 2a4c n LEU 73 Ca -0.11 -3.22 -0.22 0.00 -0.02 0.00 0.00 56.01 52.44 2a4c n LEU 73 Cb 0.51 0.77 -0.16 0.00 -1.62 0.00 0.00 43.42 42.92 2a4c n LEU 73 CO 0.36 -0.48 -0.44 -0.32 -1.22 0.00 0.00 177.39 175.29 2a4c s MET 74 N -3.71 1.21 -0.17 3.23 1.75 0.14 -0.69 119.30 121.07 2a4c s MET 74 Ca 0.12 -0.28 -0.07 0.00 -1.25 0.00 0.00 55.69 54.21 2a4c s MET 74 Cb 0.01 -1.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.56 2a4c s MET 74 CO 0.09 0.01 0.07 0.00 -0.65 0.00 0.00 175.02 174.54 2a4c s ALA 75 N 0.62 3.45 0.15 4.11 0.00 0.86 -1.23 121.76 129.71 2a4c s ALA 75 Ca -0.11 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2a4c s ALA 75 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2a4c s ALA 75 CO 0.02 0.24 -0.08 -0.65 0.00 0.00 0.00 175.76 175.29 2a4c s GLN 76 N 0.17 1.04 -0.03 0.00 1.11 0.13 -1.51 119.66 120.56 2a4c s GLN 76 Ca 0.05 -1.45 -0.00 0.00 0.01 0.00 0.00 55.36 53.96 2a4c s GLN 76 Cb -0.12 -0.50 0.03 0.00 -1.01 0.00 0.00 33.01 31.40 2a4c s GLN 76 CO 0.00 0.02 0.03 0.00 0.01 0.00 0.00 175.29 175.36 2a4c s ALA 77 N -3.43 0.19 0.33 6.09 0.00 -1.26 -0.84 121.76 122.84 2a4c s ALA 77 Ca 0.17 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.46 2a4c s ALA 77 Cb 0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 2a4c s ALA 77 CO 0.00 -0.21 -0.11 0.14 0.00 0.00 0.00 175.76 175.59 2a4c s VAL 78 N 1.37 2.21 0.10 0.00 -7.23 -0.56 -0.62 120.40 115.67 2a4c s VAL 78 Ca -0.05 -2.22 -0.31 0.00 -1.81 0.00 0.00 61.98 57.59 2a4c s VAL 78 Cb -0.13 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 2a4c s VAL 78 CO -0.03 -0.24 1.36 -0.62 -0.31 0.00 0.00 175.10 175.27 2a4c s ASP 79 N -3.58 6.87 0.52 4.85 -1.08 0.03 -0.79 116.67 123.49 2a4c s ASP 79 Ca 0.32 2.26 0.30 0.00 -0.52 0.00 0.00 52.55 54.90 2a4c s ASP 79 Cb 0.02 -2.58 1.43 0.00 -1.46 0.00 0.00 42.92 40.32 2a4c s ASP 79 CO 0.16 -0.63 1.89 -0.09 0.52 0.00 0.00 175.17 177.01 2a4c h ARG 80 N 6.90 0.05 0.00 4.34 9.65 -0.41 0.25 114.38 135.17 2a4c h ARG 80 Ca -0.42 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.38 2a4c h ARG 80 Cb 1.21 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 2a4c h ARG 80 CO 0.86 0.04 -1.31 -0.40 2.80 0.00 0.00 179.97 181.96 2a4c n ASP 81 N -4.31 3.86 0.17 -3.80 3.85 -1.26 -4.60 116.55 110.47 2a4c n ASP 81 Ca 0.18 -0.00 0.06 0.00 -0.71 0.00 0.00 54.79 54.32 2a4c n ASP 81 Cb 0.92 0.52 0.16 0.00 -1.35 0.00 0.00 41.12 41.37 2a4c n ASP 81 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2a4c h THR 82 N 0.00 0.66 0.00 2.12 1.35 -1.96 -3.47 112.91 111.61 2a4c h THR 82 Ca -0.12 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2a4c h THR 82 Cb 1.26 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 2a4c h THR 82 CO 0.00 0.35 0.00 0.59 -0.25 0.00 0.00 175.52 176.21 2a4c n ASN 83 N -3.26 -5.12 -4.73 5.36 5.03 0.07 -4.97 115.26 107.65 2a4c n ASN 83 Ca 0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.05 2a4c n ASN 83 Cb 0.62 -2.87 -0.03 0.00 -1.02 0.00 0.00 39.78 36.49 2a4c n ASN 83 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2a4c s ARG 84 N -1.57 4.21 0.41 3.52 1.81 -1.26 -4.55 118.95 121.53 2a4c s ARG 84 Ca 0.00 2.38 -0.26 0.00 -1.72 0.00 0.00 55.73 56.13 2a4c s ARG 84 Cb 0.00 -3.13 -0.10 0.00 -0.45 0.00 0.00 34.95 31.27 2a4c s ARG 84 CO 0.00 -0.58 1.31 -2.30 -0.68 0.00 0.00 175.30 173.05 2a4c n PRO 85 N 3.47 2.05 0.00 3.54 -0.02 -1.26 -0.79 135.00 141.99 2a4c n PRO 85 Ca 0.12 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 2a4c n PRO 85 Cb 0.39 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2a4c n PRO 85 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2a4c n LEU 86 N 0.27 1.03 -3.92 2.45 4.77 0.21 -4.81 117.00 117.01 2a4c n LEU 86 Ca 0.06 -0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 55.29 2a4c n LEU 86 Cb 0.39 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2a4c n LEU 86 CO 0.60 0.21 -0.18 -1.61 -1.33 0.00 0.00 177.39 175.08 2a4c s GLU 87 N -1.74 0.69 0.49 3.23 0.41 -1.24 -5.04 118.70 115.49 2a4c s GLU 87 Ca 0.08 -0.88 -0.19 0.00 -0.41 0.00 0.00 54.97 53.57 2a4c s GLU 87 Cb 0.09 0.27 -0.08 0.00 -1.78 0.00 0.00 34.13 32.63 2a4c s GLU 87 CO 0.37 -0.19 1.01 -2.14 -0.49 0.00 0.00 175.26 173.82 2a4c s PRO 88 N -3.23 3.87 0.46 0.39 0.02 -1.26 -4.68 135.00 130.57 2a4c s PRO 88 Ca 0.00 1.22 -0.23 0.00 0.02 0.00 0.00 61.00 62.02 2a4c s PRO 88 Cb 0.02 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 2a4c s PRO 88 CO -0.08 -0.35 0.93 -2.30 -0.33 0.00 0.00 177.00 174.87 2a4c n PRO 89 N -1.09 1.15 -4.21 5.54 -0.02 -1.26 -4.88 135.00 130.23 2a4c n PRO 89 Ca 0.08 0.42 -0.24 0.00 -2.02 0.00 0.00 63.50 61.74 2a4c n PRO 89 Cb 0.53 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.86 2a4c n PRO 89 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2a4c s SER 90 N -0.87 1.74 0.36 2.55 0.15 -0.57 -4.96 113.70 112.10 2a4c s SER 90 Ca 0.66 -0.25 -0.26 0.00 0.70 0.00 0.00 55.95 56.80 2a4c s SER 90 Cb -0.53 -0.73 -0.09 0.00 -1.71 0.00 0.00 66.02 62.96 2a4c s SER 90 CO 0.55 -0.05 1.05 -0.70 1.20 0.00 0.00 173.24 175.29 2a4c s GLU 91 N 1.17 4.31 0.06 5.44 2.12 -1.26 -0.10 118.70 130.45 2a4c s GLU 91 Ca -0.06 1.57 -0.09 0.00 0.36 0.00 0.00 54.97 56.75 2a4c s GLU 91 Cb -0.14 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.53 2a4c s GLU 91 CO -0.02 -0.02 0.20 -0.59 -0.54 0.00 0.00 175.26 174.30 2a4c s PHE 92 N -1.53 0.08 0.06 5.30 -0.71 0.14 -4.89 117.98 116.43 2a4c s PHE 92 Ca 0.54 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 56.10 2a4c s PHE 92 Cb -0.24 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 2a4c s PHE 92 CO 0.31 -0.49 -0.19 0.96 -1.34 0.00 0.00 175.22 174.47 2a4c s ILE 93 N -3.15 1.51 -0.14 -4.49 -0.00 -0.93 -0.16 121.20 113.84 2a4c s ILE 93 Ca -0.01 -1.25 -0.03 0.00 -0.00 0.00 0.00 60.65 59.37 2a4c s ILE 93 Cb 0.02 -1.35 -0.03 0.00 -0.00 0.00 0.00 42.46 41.10 2a4c s ILE 93 CO -0.07 0.06 -0.05 0.68 -0.00 0.00 0.00 174.94 175.56 2a4c s VAL 94 N -0.94 3.79 -0.17 8.37 -7.23 0.94 -1.48 120.40 123.69 2a4c s VAL 94 Ca 0.05 -0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.74 2a4c s VAL 94 Cb -0.09 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2a4c s VAL 94 CO 0.02 0.51 0.09 -0.54 -0.31 0.00 0.00 175.10 174.88 2a4c s LYS 95 N 0.17 3.84 -0.35 4.82 1.02 -0.50 -0.76 119.74 127.97 2a4c s LYS 95 Ca -0.02 -0.27 -0.21 0.00 0.02 0.00 0.00 55.97 55.49 2a4c s LYS 95 Cb -0.14 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2a4c s LYS 95 CO 0.03 0.43 0.66 0.08 -0.92 0.00 0.00 175.35 175.63 2a4c s VAL 96 N -0.04 4.86 -0.09 3.17 1.01 -0.20 -1.15 120.40 127.96 2a4c s VAL 96 Ca 0.08 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.58 2a4c s VAL 96 Cb -0.12 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2a4c s VAL 96 CO 0.00 -0.32 0.38 -1.58 0.00 0.00 0.00 175.10 173.59 2a4c s GLN 97 N 2.77 4.15 0.00 2.72 2.00 0.11 -4.65 119.66 126.76 2a4c s GLN 97 Ca 0.26 0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.92 2a4c s GLN 97 Cb -0.14 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.31 2a4c s GLN 97 CO 0.15 0.38 0.16 -3.47 -0.50 0.00 0.00 175.29 172.00