#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c0d n THR 5 N 0.00 0.00 -3.99 1.96 -2.24 -1.26 -4.96 114.28 103.79 3c0d n THR 5 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3c0d n THR 5 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 3c0d n THR 5 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3c0d s LYS 6 N 0.02 2.33 -0.12 -0.78 1.02 -1.26 -2.20 119.74 118.75 3c0d s LYS 6 Ca 0.00 -1.31 -0.08 0.00 0.02 0.00 0.00 55.97 54.59 3c0d s LYS 6 Cb 0.00 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 3c0d s LYS 6 CO 0.00 -0.60 0.17 0.08 -0.92 0.00 0.00 175.35 174.08 3c0d s VAL 7 N 1.17 5.45 0.19 3.17 1.01 -1.12 -4.95 120.40 125.33 3c0d s VAL 7 Ca -0.07 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 3c0d s VAL 7 Cb -0.20 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 3c0d s VAL 7 CO -0.03 0.59 1.18 -0.54 0.00 0.00 0.00 175.10 176.29 3c0d s LYS 8 N -0.82 4.52 0.00 2.72 1.02 -1.26 -2.78 119.74 123.13 3c0d s LYS 8 Ca 0.15 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.99 3c0d s LYS 8 Cb -0.12 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3c0d s LYS 8 CO 0.04 -0.05 0.00 1.28 -0.92 0.00 0.00 175.35 175.71 3c0d n LEU 9 N 2.40 0.00 0.00 3.17 4.32 0.11 -4.96 117.00 122.03 3c0d n LEU 9 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 3c0d n LEU 9 Cb 0.45 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3c0d n LEU 9 CO 0.55 -0.24 0.00 0.00 -1.22 0.00 0.00 177.39 176.48 3c0d s GLN 11 N 0.56 1.20 0.19 0.00 -0.21 -1.26 -1.50 119.66 118.64 3c0d s GLN 11 Ca 0.00 -1.25 0.19 0.00 0.02 0.00 0.00 55.36 54.32 3c0d s GLN 11 Cb 0.00 -1.47 0.84 0.00 1.00 0.00 0.00 33.01 33.38 3c0d s GLN 11 CO 0.00 0.33 1.57 -0.11 -2.12 0.00 0.00 175.29 174.96 3c0d n LEU 12 N 0.89 0.43 -1.67 2.90 7.94 -1.23 -1.16 117.00 125.09 3c0d n LEU 12 Ca -0.18 0.63 -0.10 0.00 -1.11 0.00 0.00 56.01 55.26 3c0d n LEU 12 Cb 0.54 -0.61 0.16 0.00 0.53 0.00 0.00 43.42 44.04 3c0d n LEU 12 CO 0.24 -0.58 0.90 -0.90 -1.11 0.00 0.00 177.39 175.94 3c0d n ASP 13 N -2.00 3.64 0.00 1.96 5.68 -1.26 -3.15 116.55 121.42 3c0d n ASP 13 Ca 0.01 -2.90 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 3c0d n ASP 13 Cb 0.15 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 3c0d n ASP 13 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3c0d n ASP 14 N -0.28 2.91 -2.65 -1.12 9.92 -0.30 -5.24 116.55 119.79 3c0d n ASP 14 Ca 0.32 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.54 3c0d n ASP 14 Cb 1.14 0.53 0.01 0.00 -0.64 0.00 0.00 41.12 42.16 3c0d n ASP 14 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3c0d n LEU 15 N -0.96 0.00 -4.65 0.64 4.77 -1.19 -5.03 117.00 110.58 3c0d n LEU 15 Ca 0.00 -0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 55.05 3c0d n LEU 15 Cb 0.05 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 3c0d n LEU 15 CO 0.00 -0.49 -0.25 -2.84 -1.33 0.00 0.00 177.39 172.48 3c0d s PRO 17 N -2.56 3.90 0.00 3.23 0.02 -1.26 -4.97 135.00 133.36 3c0d s PRO 17 Ca 0.12 -0.34 0.00 0.00 0.02 0.00 0.00 61.00 60.80 3c0d s PRO 17 Cb -0.01 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3c0d s PRO 17 CO 0.07 0.32 0.00 1.19 -0.33 0.00 0.00 177.00 178.26 3c0d n PHE 18 N 3.38 0.00 -3.98 6.54 3.72 -0.33 -4.98 117.46 121.80 3c0d n PHE 18 Ca -0.17 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.89 3c0d n PHE 18 Cb 0.52 -1.22 -0.14 0.00 -0.94 0.00 0.00 39.48 37.70 3c0d n PHE 18 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3c0d s ILE 19 N -1.45 2.67 0.45 4.37 -1.09 -1.26 -4.43 121.20 120.46 3c0d s ILE 19 Ca 0.00 -1.32 -0.23 0.00 -2.23 0.00 0.00 60.65 56.87 3c0d s ILE 19 Cb 0.00 -2.46 -0.10 0.00 -1.58 0.00 0.00 42.46 38.32 3c0d s ILE 19 CO 0.00 0.05 0.89 0.61 -1.23 0.00 0.00 174.94 175.26 3c0d n GLY 20 N 4.58 -0.52 2.85 6.18 0.00 -1.13 -4.70 105.19 112.45 3c0d n GLY 20 Ca -0.15 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3c0d n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c0d s ALA 21 N -1.37 -0.07 0.08 4.61 0.00 -0.62 -4.80 121.76 119.59 3c0d s ALA 21 Ca 0.65 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 3c0d s ALA 21 Cb -0.54 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 3c0d s ALA 21 CO 0.55 -0.10 0.46 0.95 0.00 0.00 0.00 175.76 177.62 3c0d s THR 22 N 0.85 4.99 0.12 0.00 -4.23 -1.26 0.94 115.64 117.05 3c0d s THR 22 Ca -0.07 0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 61.14 3c0d s THR 22 Cb -0.09 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3c0d s THR 22 CO -0.03 0.36 0.04 0.68 -0.54 0.00 0.00 174.62 175.13 3c0d s VAL 23 N -1.33 0.16 -0.33 2.29 -7.23 0.23 -4.94 120.40 109.25 3c0d s VAL 23 Ca 0.32 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 3c0d s VAL 23 Cb -0.15 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.90 3c0d s VAL 23 CO 0.17 -0.56 0.07 -0.22 -0.31 0.00 0.00 175.10 174.25 3c0d s LEU 24 N -3.03 4.32 -0.48 1.32 2.96 -1.26 -0.04 118.68 122.47 3c0d s LEU 24 Ca 0.21 -1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 52.54 3c0d s LEU 24 Cb 0.07 -1.76 0.10 0.00 0.50 0.00 0.00 46.19 45.10 3c0d s LEU 24 CO -0.00 -0.34 0.38 -0.63 -1.32 0.00 0.00 176.35 174.43 3c0d s ILE 25 N 1.24 4.70 -1.45 6.68 1.01 -1.01 -4.57 121.20 127.80 3c0d s ILE 25 Ca -0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.06 3c0d s ILE 25 Cb -0.20 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.34 3c0d s ILE 25 CO -0.01 -0.71 0.95 -0.62 0.00 0.00 0.00 174.94 174.55 3c0d n GLU 26 N 5.06 -6.23 -0.10 2.79 -0.58 -1.26 -2.52 120.64 117.82 3c0d n GLU 26 Ca -0.11 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 3c0d n GLU 26 Cb 0.42 -5.69 0.00 0.00 -0.57 0.00 0.00 31.44 25.59 3c0d n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3c0d n GLY 27 N -1.75 1.25 3.91 0.62 0.00 -1.26 -5.05 105.19 102.91 3c0d n GLY 27 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3c0d n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c0d s GLU 28 N -0.54 3.50 -0.29 1.61 2.02 -1.05 -5.06 118.70 118.90 3c0d s GLU 28 Ca 0.00 -0.31 -0.23 0.00 0.02 0.00 0.00 54.97 54.46 3c0d s GLU 28 Cb 0.00 -2.99 -0.00 0.00 0.10 0.00 0.00 34.13 31.23 3c0d s GLU 28 CO 0.00 0.58 0.75 0.50 0.02 0.00 0.00 175.26 177.10 3c0d s ARG 29 N -2.47 4.01 0.00 1.61 3.52 -1.26 -2.40 118.95 121.96 3c0d s ARG 29 Ca 0.36 0.59 0.07 0.00 -0.13 0.00 0.00 55.73 56.62 3c0d s ARG 29 Cb -0.13 -3.70 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 3c0d s ARG 29 CO 0.26 -0.60 -0.22 0.08 -0.81 0.00 0.00 175.30 174.00 3c0d s VAL 30 N 2.82 2.40 -0.24 7.11 1.01 0.95 -1.06 120.40 133.39 3c0d s VAL 30 Ca 0.31 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3c0d s VAL 30 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3c0d s VAL 30 CO 0.11 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.74 3c0d s ALA 31 N -0.74 3.12 -0.05 5.51 0.00 0.87 0.74 121.76 131.20 3c0d s ALA 31 Ca 0.12 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 3c0d s ALA 31 Cb -0.10 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3c0d s ALA 31 CO 0.01 -0.40 0.32 -0.51 0.00 0.00 0.00 175.76 175.18 3c0d s LEU 32 N 1.46 4.43 -0.29 0.00 1.43 0.27 -2.21 118.68 123.76 3c0d s LEU 32 Ca 0.05 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3c0d s LEU 32 Cb -0.15 -2.42 0.09 0.00 0.03 0.00 0.00 46.19 43.75 3c0d s LEU 32 CO 0.03 0.32 0.07 -0.36 0.23 0.00 0.00 176.35 176.64 3c0d s PHE 33 N -0.89 1.94 -0.06 0.29 0.08 0.13 -1.59 117.98 117.87 3c0d s PHE 33 Ca 0.21 -1.78 -0.30 0.00 0.12 0.00 0.00 56.93 55.17 3c0d s PHE 33 Cb -0.15 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3c0d s PHE 33 CO 0.10 -0.85 1.07 -0.47 -0.10 0.00 0.00 175.22 174.97 3c0d s TYR 34 N 1.54 3.44 -0.14 0.36 5.04 -1.26 -0.61 117.35 125.71 3c0d s TYR 34 Ca 0.07 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.20 3c0d s TYR 34 Cb -0.18 -3.26 0.00 0.00 0.35 0.00 0.00 41.96 38.88 3c0d s TYR 34 CO -0.19 -0.57 -0.18 0.42 -1.34 0.00 0.00 175.55 173.69 3c0d s ILE 35 N 1.84 2.43 0.19 3.14 -1.09 -0.44 -1.19 121.20 126.09 3c0d s ILE 35 Ca 0.52 -0.86 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 3c0d s ILE 35 Cb -0.21 -2.00 0.13 0.00 -1.58 0.00 0.00 42.46 38.80 3c0d s ILE 35 CO 0.21 0.53 1.57 1.55 -1.23 0.00 0.00 174.94 177.57 3c0d h PRO 36 N 7.23 -0.12 0.00 2.79 0.13 -1.96 -2.33 132.00 137.74 3c0d h PRO 36 Ca -0.31 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3c0d h PRO 36 Cb 1.20 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3c0d h PRO 36 CO 0.55 -0.08 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 3c0d n ASP 37 N -5.43 0.00 0.00 1.44 5.75 -1.26 -4.67 116.55 112.38 3c0d n ASP 37 Ca 0.05 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 3c0d n ASP 37 Cb 0.36 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3c0d n ASP 37 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3c0d n SER 38 N -1.94 0.00 0.00 -1.12 7.64 -1.25 -5.02 113.62 111.93 3c0d n SER 38 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3c0d n SER 38 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3c0d n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3c0d n GLY 39 N -0.87 -0.10 3.72 0.23 0.00 -0.88 -5.00 105.19 102.30 3c0d n GLY 39 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3c0d n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c0d s VAL 40 N -2.85 4.53 0.00 1.61 1.01 -1.26 -1.33 120.40 122.12 3c0d s VAL 40 Ca 0.00 1.90 0.07 0.00 0.00 0.00 0.00 61.98 63.95 3c0d s VAL 40 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3c0d s VAL 40 CO 0.00 0.20 -0.21 -0.31 0.00 0.00 0.00 175.10 174.78 3c0d s TYR 41 N 0.69 2.50 -0.14 5.22 1.51 0.22 -4.67 117.35 122.67 3c0d s TYR 41 Ca 0.52 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 3c0d s TYR 41 Cb -0.24 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3c0d s TYR 41 CO 0.29 0.14 -0.19 0.00 -1.11 0.00 0.00 175.55 174.69 3c0d s ALA 42 N -0.78 2.06 0.01 3.71 0.00 -1.26 0.17 121.76 125.67 3c0d s ALA 42 Ca 0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3c0d s ALA 42 Cb -0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3c0d s ALA 42 CO 0.02 -0.16 -0.01 0.14 0.00 0.00 0.00 175.76 175.75 3c0d s VAL 43 N 1.05 0.08 0.28 0.00 -7.23 -0.94 -2.17 120.40 111.48 3c0d s VAL 43 Ca -0.03 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 3c0d s VAL 43 Cb -0.14 -0.22 -0.13 0.00 0.56 0.00 0.00 36.38 36.45 3c0d s VAL 43 CO -0.05 -0.38 1.32 0.00 -0.31 0.00 0.00 175.10 175.68 3c0d n GLN 44 N 1.93 1.99 0.00 4.82 10.64 -0.45 -0.09 117.38 136.21 3c0d n GLN 44 Ca -0.21 0.70 0.15 0.00 -1.83 0.00 0.00 57.00 55.81 3c0d n GLN 44 Cb 0.56 -2.30 0.75 0.00 -0.86 0.00 0.00 30.24 28.39 3c0d n GLN 44 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3c0d n ASP 45 N 1.57 0.04 -4.63 2.61 2.03 -0.22 -4.64 116.55 113.31 3c0d n ASP 45 Ca 0.09 -0.19 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 3c0d n ASP 45 Cb 0.33 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.40 3c0d n ASP 45 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3c0d s TRP 46 N -2.56 3.29 -0.52 -0.67 -0.11 -1.26 -1.43 118.94 115.67 3c0d s TRP 46 Ca 0.29 0.83 -0.28 0.00 1.22 0.00 0.00 56.10 58.15 3c0d s TRP 46 Cb 0.20 -2.84 0.01 0.00 -1.50 0.00 0.00 33.47 29.34 3c0d s TRP 46 CO 0.46 -0.32 1.41 0.34 -4.62 0.00 0.00 176.95 174.22 3c0d s ASP 47 N 1.46 6.18 0.00 5.86 -1.08 0.93 -4.88 116.67 125.14 3c0d s ASP 47 Ca 0.26 0.42 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 3c0d s ASP 47 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 3c0d s ASP 47 CO 0.08 -1.64 0.85 -0.81 0.52 0.00 0.00 175.17 174.18 3c0d n PRO 48 N 8.51 0.00 -4.49 4.34 -0.04 -1.26 -2.48 135.00 139.58 3c0d n PRO 48 Ca 0.13 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.72 3c0d n PRO 48 Cb 0.49 -1.60 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 3c0d n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3c0d s ILE 49 N -2.71 0.98 0.00 0.52 1.01 -1.26 -4.65 121.20 115.09 3c0d s ILE 49 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3c0d s ILE 49 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3c0d s ILE 49 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3c0d n GLY 50 N 3.79 1.46 3.18 6.18 0.00 -1.26 -4.75 105.19 113.78 3c0d n GLY 50 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 3c0d n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3c0d n LYS 51 N -2.00 -1.27 -3.61 1.61 4.76 -1.03 -5.02 118.16 111.60 3c0d n LYS 51 Ca 0.00 1.10 -0.05 0.00 -2.87 0.00 0.00 58.31 56.49 3c0d n LYS 51 Cb 0.00 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 3c0d n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3c0d s ALA 52 N -1.19 -2.06 -1.13 7.82 0.00 -1.24 -4.98 121.76 118.99 3c0d s ALA 52 Ca 0.24 1.69 -0.20 0.00 0.00 0.00 0.00 51.96 53.69 3c0d s ALA 52 Cb -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.49 3c0d s ALA 52 CO 0.55 -0.43 1.53 0.71 0.00 0.00 0.00 175.76 178.12 3c0d s TYR 53 N -1.72 2.73 -0.46 0.00 2.02 -1.26 -0.05 117.35 118.60 3c0d s TYR 53 Ca 0.07 -1.26 0.06 0.00 -0.37 0.00 0.00 57.07 55.57 3c0d s TYR 53 Cb -0.01 -4.66 0.20 0.00 -0.40 0.00 0.00 41.96 37.09 3c0d s TYR 53 CO -0.05 -1.82 0.46 1.55 -1.57 0.00 0.00 175.55 174.12 3c0d n VAL 54 N 6.45 -0.34 0.00 0.71 3.14 -0.51 -4.95 118.33 122.82 3c0d n VAL 54 Ca 0.38 -3.97 0.00 0.00 -2.96 0.00 0.00 64.34 57.79 3c0d n VAL 54 Cb 0.48 -1.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 3c0d n VAL 54 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3c0d n SER 56 N 2.08 0.00 -0.33 6.55 3.41 -1.26 -3.57 113.62 120.50 3c0d n SER 56 Ca 0.26 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.90 3c0d n SER 56 Cb 0.47 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.53 3c0d n SER 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3c0d n ARG 57 N 0.00 1.42 -3.09 4.33 5.12 -1.26 -2.84 116.66 120.34 3c0d n ARG 57 Ca 0.00 -0.65 -0.32 0.00 -1.93 0.00 0.00 57.85 54.96 3c0d n ARG 57 Cb 0.00 -1.15 -0.05 0.00 -1.16 0.00 0.00 32.46 30.09 3c0d n ARG 57 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3c0d s GLY 58 N -1.04 2.22 -0.07 -0.13 0.00 -1.23 -4.67 107.32 102.40 3c0d s GLY 58 Ca 0.13 -0.06 -0.28 0.00 0.00 0.00 0.00 44.72 44.52 3c0d s GLY 58 CO 0.09 0.14 0.93 -0.42 0.00 0.00 0.00 173.10 173.84 3c0d s ILE 59 N -2.08 4.86 0.06 0.90 1.09 -1.04 -4.66 121.20 120.34 3c0d s ILE 59 Ca 0.53 1.92 -0.24 0.00 -1.10 0.00 0.00 60.65 61.76 3c0d s ILE 59 Cb -0.10 -4.26 -0.06 0.00 -1.06 0.00 0.00 42.46 36.98 3c0d s ILE 59 CO 0.21 0.10 0.71 0.68 -0.10 0.00 0.00 174.94 176.55 3c0d s VAL 60 N 1.48 4.71 0.00 2.92 -7.23 -1.26 -0.22 120.40 120.80 3c0d s VAL 60 Ca 0.47 1.52 0.00 0.00 -1.81 0.00 0.00 61.98 62.16 3c0d s VAL 60 Cb -0.19 -4.06 0.00 0.00 0.56 0.00 0.00 36.38 32.69 3c0d s VAL 60 CO 0.21 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 3c0d n GLY 61 N 2.21 5.45 3.40 2.32 0.00 0.71 -4.97 105.19 114.31 3c0d n GLY 61 Ca -0.05 -1.18 0.02 0.00 0.00 0.00 0.00 46.02 44.81 3c0d n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c0d s ASP 62 N 1.00 -0.64 0.00 1.61 -1.08 -1.26 -3.12 116.67 113.18 3c0d s ASP 62 Ca 0.00 0.83 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 3c0d s ASP 62 Cb 0.00 1.71 0.00 0.00 -1.46 0.00 0.00 42.92 43.17 3c0d s ASP 62 CO 0.00 -0.12 0.00 -0.38 0.52 0.00 0.00 175.17 175.19 3c0d n ILE 63 N 5.06 0.00 -0.26 4.11 5.41 -1.20 -4.69 119.36 127.79 3c0d n ILE 63 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3c0d n ILE 63 Cb 0.52 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 3c0d n ILE 63 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3c0d n ASN 64 N -0.30 4.47 0.00 4.38 5.15 -1.26 -4.62 115.26 123.08 3c0d n ASN 64 Ca 0.00 -2.19 0.00 0.00 -0.60 0.00 0.00 54.58 51.79 3c0d n ASN 64 Cb 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 3c0d n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3c0d n GLY 65 N 1.42 2.54 0.00 8.20 0.00 -1.26 -5.23 105.19 110.86 3c0d n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3c0d n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3c0d n GLU 66 N -2.00 2.84 0.00 1.61 2.13 -1.26 -5.05 120.64 118.91 3c0d n GLU 66 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3c0d n GLU 66 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3c0d n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3c0d s VAL 69 N -1.89 2.07 -0.11 0.00 0.11 0.99 -0.21 120.40 121.36 3c0d s VAL 69 Ca 0.00 -1.66 0.01 0.00 -2.93 0.00 0.00 61.98 57.40 3c0d s VAL 69 Cb 0.00 -1.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 3c0d s VAL 69 CO 0.00 0.06 -0.13 0.00 -3.33 0.00 0.00 175.10 171.70 3c0d s ALA 70 N -1.07 2.63 0.28 1.54 0.00 0.69 0.31 121.76 126.14 3c0d s ALA 70 Ca 0.11 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3c0d s ALA 70 Cb -0.10 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.77 3c0d s ALA 70 CO 0.05 0.33 1.34 0.45 0.00 0.00 0.00 175.76 177.93 3c0d s SER 71 N 0.07 6.78 0.44 0.00 0.15 -0.58 -2.50 113.70 118.06 3c0d s SER 71 Ca -0.05 2.61 0.22 0.00 0.70 0.00 0.00 55.95 59.43 3c0d s SER 71 Cb -0.15 -2.63 1.02 0.00 -1.71 0.00 0.00 66.02 62.55 3c0d s SER 71 CO 0.04 -0.57 1.89 -0.65 1.20 0.00 0.00 173.24 175.16 3c0d h PRO 72 N 4.30 0.00 0.00 5.44 0.11 -1.83 -2.87 132.00 137.15 3c0d h PRO 72 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3c0d h PRO 72 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3c0d h PRO 72 CO 0.72 0.24 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 3c0d n LEU 73 N -3.61 0.00 0.00 2.35 4.77 -1.26 -4.63 117.00 114.62 3c0d n LEU 73 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3c0d n LEU 73 Cb 0.38 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.17 3c0d n LEU 73 CO 0.34 0.00 0.92 -1.22 -1.33 0.00 0.00 177.39 176.10 3c0d n TYR 74 N 0.00 0.00 -3.07 -1.77 4.01 -1.26 -4.97 117.16 110.10 3c0d n TYR 74 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 3c0d n TYR 74 Cb 0.00 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 38.95 3c0d n TYR 74 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3c0d n LYS 75 N -1.10 -2.17 -4.63 -0.72 5.02 -1.08 -5.03 118.16 108.45 3c0d n LYS 75 Ca 0.17 1.86 -0.29 0.00 -2.02 0.00 0.00 58.31 58.02 3c0d n LYS 75 Cb 0.12 -4.59 -0.14 0.00 -0.02 0.00 0.00 35.03 30.40 3c0d n LYS 75 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3c0d s GLN 76 N -2.66 1.57 -0.06 1.97 1.11 -1.26 -4.79 119.66 115.53 3c0d s GLN 76 Ca 0.26 -1.22 -0.19 0.00 0.01 0.00 0.00 55.36 54.22 3c0d s GLN 76 Cb -0.06 -1.90 -0.05 0.00 -1.01 0.00 0.00 33.01 30.00 3c0d s GLN 76 CO 0.80 0.47 0.53 -1.01 0.01 0.00 0.00 175.29 176.09 3c0d s HIS 77 N -0.94 3.60 -0.11 0.91 3.76 -1.26 -1.53 115.29 119.73 3c0d s HIS 77 Ca 0.12 1.04 0.02 0.00 -0.15 0.00 0.00 55.06 56.10 3c0d s HIS 77 Cb -0.10 -2.56 0.01 0.00 1.11 0.00 0.00 32.58 31.04 3c0d s HIS 77 CO 0.04 0.28 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.98 3c0d s PHE 78 N 0.14 2.09 -0.01 1.40 0.08 0.15 -2.42 117.98 119.41 3c0d s PHE 78 Ca 0.28 -0.95 -0.30 0.00 0.12 0.00 0.00 56.93 56.09 3c0d s PHE 78 Cb -0.17 -1.47 -0.07 0.00 -0.57 0.00 0.00 43.02 40.74 3c0d s PHE 78 CO 0.14 -0.46 1.79 0.45 -0.10 0.00 0.00 175.22 177.04 3c0d s SER 79 N 0.81 6.57 0.00 1.36 0.15 -0.53 -0.01 113.70 122.06 3c0d s SER 79 Ca -0.10 2.44 0.00 0.00 0.70 0.00 0.00 55.95 58.99 3c0d s SER 79 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3c0d s SER 79 CO 0.01 -0.98 0.70 0.18 1.20 0.00 0.00 173.24 174.35 3c0d n LEU 80 N 7.19 0.00 0.00 3.45 4.77 -1.26 -0.60 117.00 130.55 3c0d n LEU 80 Ca 0.18 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3c0d n LEU 80 Cb 0.42 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3c0d n LEU 80 CO 0.65 -0.24 -0.11 1.17 -1.33 0.00 0.00 177.39 177.53 3c0d n LYS 81 N -1.20 2.82 0.02 3.23 3.00 -1.26 -4.61 118.16 120.16 3c0d n LYS 81 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 3c0d n LYS 81 Cb 0.16 -0.61 0.06 0.00 0.00 0.00 0.00 35.03 34.64 3c0d n LYS 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3c0d n SER 82 N -0.57 0.64 0.00 3.14 3.41 -1.17 -4.91 113.62 114.16 3c0d n SER 82 Ca 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3c0d n SER 82 Cb 0.05 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3c0d n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3c0d n GLY 83 N 1.41 0.29 3.73 5.00 0.00 0.23 -4.76 105.19 111.09 3c0d n GLY 83 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3c0d n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3c0d s GLN 84 N -0.53 2.30 -0.25 1.61 2.00 -1.26 0.10 119.66 123.64 3c0d s GLN 84 Ca 0.00 1.68 -0.08 0.00 -2.00 0.00 0.00 55.36 54.96 3c0d s GLN 84 Cb 0.00 -1.86 -0.03 0.00 0.80 0.00 0.00 33.01 31.92 3c0d s GLN 84 CO 0.00 -1.69 0.09 0.00 -0.50 0.00 0.00 175.29 173.18 3c0d h LEU 86 N 8.07 0.21 -0.42 0.00 4.07 -1.82 -3.15 115.31 122.28 3c0d h LEU 86 Ca -0.37 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.41 3c0d h LEU 86 Cb 1.18 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.86 3c0d h LEU 86 CO 0.59 0.33 0.00 -0.62 -1.08 0.00 0.00 178.44 177.65 3c0d n GLU 87 N -4.87 0.17 -3.68 1.13 1.02 -1.26 -4.75 120.64 108.41 3c0d n GLU 87 Ca -0.05 0.33 -0.09 0.00 -0.02 0.00 0.00 57.16 57.33 3c0d n GLU 87 Cb 0.12 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 3c0d n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3c0d s ASP 88 N -4.07 -0.57 0.01 1.62 -1.08 -1.19 -5.08 116.67 106.32 3c0d s ASP 88 Ca 0.06 1.04 -0.07 0.00 -0.52 0.00 0.00 52.55 53.06 3c0d s ASP 88 Cb 0.10 1.01 -0.03 0.00 -1.46 0.00 0.00 42.92 42.54 3c0d s ASP 88 CO 0.43 -0.21 1.10 -0.33 0.52 0.00 0.00 175.17 176.68 3c0d h GLU 89 N 7.29 -0.20 -0.66 4.34 5.08 -1.86 -3.29 114.58 125.29 3c0d h GLU 89 Ca -0.32 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.32 3c0d h GLU 89 Cb 1.18 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.36 3c0d h GLU 89 CO 0.24 -0.13 0.37 0.00 -1.00 0.00 0.00 179.01 178.49 3c0d n ALA 90 N -2.30 0.68 -2.72 3.43 0.00 -1.26 -4.50 120.51 113.84 3c0d n ALA 90 Ca -0.02 0.63 -0.37 0.00 0.00 0.00 0.00 53.44 53.68 3c0d n ALA 90 Cb 0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 3c0d n ALA 90 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3c0d s HIS 91 N -4.91 3.47 -0.23 0.00 3.76 -1.24 -5.06 115.29 111.09 3c0d s HIS 91 Ca -0.06 0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 55.46 3c0d s HIS 91 Cb 0.21 -2.36 0.10 0.00 1.11 0.00 0.00 32.58 31.65 3c0d s HIS 91 CO 0.49 0.24 0.24 0.00 -0.85 0.00 0.00 174.74 174.87 3c0d n LEU 93 N 5.32 1.90 -4.85 0.00 4.77 0.28 -4.87 117.00 119.55 3c0d n LEU 93 Ca -0.05 0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 56.14 3c0d n LEU 93 Cb 0.49 -1.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.20 3c0d n LEU 93 CO 0.06 -2.71 0.34 -0.75 -1.33 0.00 0.00 177.39 173.00 3c0d s LYS 94 N -3.41 3.96 0.06 3.23 2.20 -1.26 -4.52 119.74 119.99 3c0d s LYS 94 Ca 0.67 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 3c0d s LYS 94 Cb -0.30 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 3c0d s LYS 94 CO 0.57 0.26 -0.12 0.95 -0.36 0.00 0.00 175.35 176.65 3c0d s THR 95 N -1.85 0.93 0.33 3.43 -4.23 -1.26 -1.34 115.64 111.65 3c0d s THR 95 Ca 0.50 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 3c0d s THR 95 Cb -0.11 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.75 3c0d s THR 95 CO 0.19 -0.25 0.03 0.26 -0.54 0.00 0.00 174.62 174.31 3c0d s TRP 96 N -1.26 2.59 -0.34 3.99 0.51 -0.92 -5.00 118.94 118.50 3c0d s TRP 96 Ca -0.04 -0.39 -0.07 0.00 -2.12 0.00 0.00 56.10 53.47 3c0d s TRP 96 Cb -0.10 -1.45 0.04 0.00 -0.81 0.00 0.00 33.47 31.14 3c0d s TRP 96 CO 0.02 0.48 0.13 0.50 -0.51 0.00 0.00 176.95 177.56 3c0d s ARG 97 N -3.73 2.69 0.25 4.98 6.06 -1.26 -4.34 118.95 123.60 3c0d s ARG 97 Ca 0.35 -1.14 0.04 0.00 -2.50 0.00 0.00 55.73 52.48 3c0d s ARG 97 Cb -0.02 -3.52 -0.03 0.00 0.06 0.00 0.00 34.95 31.45 3c0d s ARG 97 CO 0.20 -0.66 0.39 0.08 -2.50 0.00 0.00 175.30 172.81 3c0d s VAL 98 N 1.44 5.24 -0.25 7.11 1.01 -1.26 -2.78 120.40 130.91 3c0d s VAL 98 Ca -0.01 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 3c0d s VAL 98 Cb -0.19 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.42 3c0d s VAL 98 CO 0.04 -0.36 0.82 0.28 0.00 0.00 0.00 175.10 175.88 3c0d s THR 99 N -2.03 0.00 0.01 3.92 -1.32 0.33 -4.94 115.64 111.62 3c0d s THR 99 Ca 0.35 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.88 3c0d s THR 99 Cb -0.09 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 3c0d s THR 99 CO 0.30 0.00 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.88 3c0d s VAL 100 N 0.18 1.16 -0.13 5.08 1.01 -1.26 -0.47 120.40 125.96 3c0d s VAL 100 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 3c0d s VAL 100 Cb -0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3c0d s VAL 100 CO -0.01 0.19 -0.28 -0.67 0.00 0.00 0.00 175.10 174.33 3c0d n ASP 101 N 2.34 1.76 -0.04 3.32 4.64 -1.25 -4.94 116.55 122.39 3c0d n ASP 101 Ca -0.16 0.29 -0.09 0.00 -1.38 0.00 0.00 54.79 53.46 3c0d n ASP 101 Cb 0.55 -0.66 -0.03 0.00 -1.04 0.00 0.00 41.12 39.94 3c0d n ASP 101 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3c0d n ASP 102 N -4.25 0.74 0.00 1.67 8.00 -1.26 -4.97 116.55 116.47 3c0d n ASP 102 Ca -0.12 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3c0d n ASP 102 Cb 0.43 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3c0d n ASP 102 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3c0d n ASN 103 N -3.46 0.00 -4.60 -2.24 5.15 -1.26 -5.08 115.26 103.78 3c0d n ASN 103 Ca -0.15 -0.73 -0.39 0.00 -0.60 0.00 0.00 54.58 52.70 3c0d n ASN 103 Cb 0.55 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.72 3c0d n ASN 103 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3c0d s GLN 104 N 0.00 3.96 -0.09 1.20 2.00 -1.26 -3.54 119.66 121.92 3c0d s GLN 104 Ca 0.00 0.03 -0.24 0.00 -2.00 0.00 0.00 55.36 53.15 3c0d s GLN 104 Cb 0.00 -3.68 -0.03 0.00 0.80 0.00 0.00 33.01 30.10 3c0d s GLN 104 CO 0.00 -0.33 0.74 0.08 -0.50 0.00 0.00 175.29 175.27 3c0d s VAL 105 N 2.12 5.00 0.23 1.34 1.01 -0.56 -3.81 120.40 125.73 3c0d s VAL 105 Ca 0.16 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 3c0d s VAL 105 Cb -0.16 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3c0d s VAL 105 CO 0.10 0.19 0.22 0.00 0.00 0.00 0.00 175.10 175.61 3c0d s TYR 107 N -4.00 1.33 -0.57 0.00 1.13 -1.12 0.12 117.35 114.25 3c0d s TYR 107 Ca 0.36 -0.80 -0.26 0.00 -1.41 0.00 0.00 57.07 54.96 3c0d s TYR 107 Cb 0.05 -0.70 0.03 0.00 -1.10 0.00 0.00 41.96 40.24 3c0d s TYR 107 CO 0.14 0.05 1.08 -0.51 -2.51 0.00 0.00 175.55 173.80 3c0d s LEU 108 N -3.20 3.74 0.00 -3.49 1.43 -1.12 -2.78 118.68 113.27 3c0d s LEU 108 Ca 0.19 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3c0d s LEU 108 Cb 0.03 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3c0d s LEU 108 CO 0.02 -1.37 0.50 0.00 0.23 0.00 0.00 176.35 175.73