#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c0d s THR 5 N 0.00 0.08 -0.21 -5.08 2.01 -1.25 -4.93 115.64 106.25 3c0d s THR 5 Ca 0.00 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 3c0d s THR 5 Cb 0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 3c0d s THR 5 CO 0.00 -0.36 0.10 -0.54 -0.69 0.00 0.00 174.62 173.13 3c0d s LYS 6 N -2.68 3.99 -0.12 4.92 1.02 -1.26 -2.37 119.74 123.25 3c0d s LYS 6 Ca -0.04 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 3c0d s LYS 6 Cb -0.00 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3c0d s LYS 6 CO -0.04 0.15 -0.05 0.08 -0.92 0.00 0.00 175.35 174.57 3c0d s VAL 7 N 0.75 0.89 0.31 3.17 1.01 -0.99 -4.97 120.40 120.57 3c0d s VAL 7 Ca 0.05 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 3c0d s VAL 7 Cb -0.13 -0.99 -0.14 0.00 0.00 0.00 0.00 36.38 35.12 3c0d s VAL 7 CO 0.02 0.27 0.92 0.29 0.00 0.00 0.00 175.10 176.60 3c0d n LYS 8 N 4.98 1.16 0.00 2.72 5.02 -1.26 -2.03 118.16 128.74 3c0d n LYS 8 Ca -0.11 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3c0d n LYS 8 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3c0d n LYS 8 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3c0d n LEU 9 N 1.22 1.81 0.00 -0.35 7.94 0.99 -4.80 117.00 123.80 3c0d n LEU 9 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 3c0d n LEU 9 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 3c0d n LEU 9 CO 0.59 0.29 0.00 0.00 -1.11 0.00 0.00 177.39 177.15 3c0d s GLN 11 N -2.00 4.12 0.25 0.00 -1.52 -1.26 -0.34 119.66 118.91 3c0d s GLN 11 Ca 0.00 0.44 -0.03 0.00 -1.95 0.00 0.00 55.36 53.82 3c0d s GLN 11 Cb 0.00 -3.31 0.47 0.00 -0.22 0.00 0.00 33.01 29.95 3c0d s GLN 11 CO 0.00 0.47 1.74 1.25 -0.25 0.00 0.00 175.29 178.50 3c0d h LEU 12 N 5.51 0.37 0.00 2.90 5.85 -0.11 -0.31 115.31 129.52 3c0d h LEU 12 Ca -0.47 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3c0d h LEU 12 Cb 1.20 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3c0d h LEU 12 CO 0.67 0.15 0.00 -0.90 -0.34 0.00 0.00 178.44 178.03 3c0d n ASP 13 N -4.95 0.00 0.01 1.25 5.75 -1.26 -0.68 116.55 116.67 3c0d n ASP 13 Ca 0.15 -0.30 0.11 0.00 -0.01 0.00 0.00 54.79 54.74 3c0d n ASP 13 Cb 0.41 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.54 3c0d n ASP 13 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3c0d n ASP 14 N -0.85 0.69 0.00 -1.12 8.00 -0.13 -5.14 116.55 118.01 3c0d n ASP 14 Ca 0.04 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3c0d n ASP 14 Cb 0.02 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 3c0d n ASP 14 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3c0d n LEU 15 N -1.66 0.00 -4.70 0.64 4.77 0.14 -5.06 117.00 111.13 3c0d n LEU 15 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 3c0d n LEU 15 Cb 0.37 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 3c0d n LEU 15 CO 0.40 0.00 -0.26 -2.84 -1.33 0.00 0.00 177.39 173.35 3c0d s PRO 17 N 3.41 3.42 0.00 3.23 0.02 -1.26 -4.95 135.00 138.87 3c0d s PRO 17 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 61.00 60.68 3c0d s PRO 17 Cb 0.00 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3c0d s PRO 17 CO 0.00 0.56 0.00 1.19 -0.33 0.00 0.00 177.00 178.42 3c0d n PHE 18 N 2.61 0.00 -3.97 6.54 3.72 0.15 -4.93 117.46 121.58 3c0d n PHE 18 Ca -0.18 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.87 3c0d n PHE 18 Cb 0.53 -0.99 -0.10 0.00 -0.94 0.00 0.00 39.48 37.98 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 -1.26 4.72 0.32 4.37 1.01 -1.26 -4.50 121.20 124.61 3c0d s ILE 19 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 3c0d s ILE 19 Cb 0.00 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 3c0d s ILE 19 CO 0.00 0.44 0.98 -0.83 0.00 0.00 0.00 174.94 175.52 3c0d s GLY 20 N 0.58 2.87 0.12 6.18 0.00 -1.24 -4.46 107.32 111.36 3c0d s GLY 20 Ca 0.03 0.60 0.07 0.00 0.00 0.00 0.00 44.72 45.43 3c0d s GLY 20 CO 0.01 1.08 -0.18 0.00 0.00 0.00 0.00 173.10 174.02 3c0d s ALA 21 N -1.51 1.69 -0.00 3.20 0.00 -0.74 -4.76 121.76 119.64 3c0d s ALA 21 Ca 0.49 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 3c0d s ALA 21 Cb -0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3c0d s ALA 21 CO 0.27 0.24 0.16 0.95 0.00 0.00 0.00 175.76 177.38 3c0d s THR 22 N -1.65 5.25 0.14 0.00 -4.23 -1.26 -0.66 115.64 113.24 3c0d s THR 22 Ca 0.08 -0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.22 3c0d s THR 22 Cb -0.08 -3.45 0.02 0.00 1.34 0.00 0.00 72.50 70.33 3c0d s THR 22 CO 0.04 0.32 0.36 0.68 -0.54 0.00 0.00 174.62 175.49 3c0d s VAL 23 N -1.30 0.07 -0.25 2.29 -7.23 -0.74 -4.95 120.40 108.28 3c0d s VAL 23 Ca 0.27 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 3c0d s VAL 23 Cb -0.12 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.37 3c0d s VAL 23 CO 0.18 -0.33 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.88 3c0d s LEU 24 N -2.87 3.31 -0.57 1.32 2.01 -1.26 -1.36 118.68 119.26 3c0d s LEU 24 Ca 0.08 -0.65 -0.13 0.00 0.01 0.00 0.00 54.13 53.45 3c0d s LEU 24 Cb 0.02 -1.76 0.14 0.00 0.01 0.00 0.00 46.19 44.60 3c0d s LEU 24 CO -0.07 -0.11 0.50 -0.63 1.01 0.00 0.00 176.35 177.05 3c0d s ILE 25 N 1.44 4.90 -1.16 -0.59 1.01 -0.61 -4.58 121.20 121.61 3c0d s ILE 25 Ca 0.03 -1.83 -0.20 0.00 0.00 0.00 0.00 60.65 58.65 3c0d s ILE 25 Cb -0.16 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 3c0d s ILE 25 CO -0.02 -0.87 0.77 -0.62 0.00 0.00 0.00 174.94 174.21 3c0d n GLU 26 N 4.84 -1.34 0.00 2.79 1.02 -1.26 -2.16 120.64 124.53 3c0d n GLU 26 Ca -0.06 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3c0d n GLU 26 Cb 0.41 -4.09 0.00 0.00 -0.02 0.00 0.00 31.44 27.74 3c0d n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3c0d n GLY 27 N -1.71 2.74 3.74 0.62 0.00 -1.26 -4.99 105.19 104.32 3c0d n GLY 27 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.03 4.74 -0.44 1.61 2.02 -0.92 -5.00 118.70 120.69 3c0d s GLU 28 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 54.97 56.13 3c0d s GLU 28 Cb 0.00 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.92 3c0d s GLU 28 CO 0.00 0.35 1.18 0.50 0.02 0.00 0.00 175.26 177.31 3c0d s ARG 29 N -0.50 3.76 0.32 1.61 3.52 -1.26 -1.57 118.95 124.83 3c0d s ARG 29 Ca 0.44 0.72 0.10 0.00 -0.13 0.00 0.00 55.73 56.86 3c0d s ARG 29 Cb -0.24 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.19 3c0d s ARG 29 CO 0.30 -1.33 -0.09 0.08 -0.81 0.00 0.00 175.30 173.45 3c0d s VAL 30 N 4.49 2.46 -0.18 7.11 1.01 -0.46 -1.29 120.40 133.53 3c0d s VAL 30 Ca 0.50 -2.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.25 3c0d s VAL 30 Cb -0.09 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.74 3c0d s VAL 30 CO 0.29 -0.26 0.08 0.00 0.00 0.00 0.00 175.10 175.21 3c0d s ALA 31 N -2.55 0.56 0.28 5.51 0.00 0.34 -1.80 121.76 124.10 3c0d s ALA 31 Ca 0.32 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 3c0d s ALA 31 Cb -0.01 -1.09 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 3c0d s ALA 31 CO 0.17 -1.21 0.87 -0.51 0.00 0.00 0.00 175.76 175.08 3c0d s LEU 32 N 2.08 4.38 -0.21 0.00 1.43 0.16 -2.44 118.68 124.08 3c0d s LEU 32 Ca 0.02 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 54.81 3c0d s LEU 32 Cb -0.16 -3.82 0.06 0.00 0.03 0.00 0.00 46.19 42.30 3c0d s LEU 32 CO -0.11 -0.01 0.02 -0.36 0.23 0.00 0.00 176.35 176.12 3c0d s PHE 33 N -1.53 1.43 -0.45 0.29 0.40 0.91 -1.80 117.98 117.22 3c0d s PHE 33 Ca 0.47 -1.15 -0.28 0.00 -0.60 0.00 0.00 56.93 55.37 3c0d s PHE 33 Cb -0.19 -1.21 0.03 0.00 0.51 0.00 0.00 43.02 42.16 3c0d s PHE 33 CO 0.24 -0.67 1.05 -0.47 0.70 0.00 0.00 175.22 176.07 3c0d s TYR 34 N 1.72 2.89 -0.60 0.36 5.04 -1.26 -0.57 117.35 124.93 3c0d s TYR 34 Ca -0.02 0.64 -0.08 0.00 -2.44 0.00 0.00 57.07 55.17 3c0d s TYR 34 Cb -0.18 -4.18 0.16 0.00 0.35 0.00 0.00 41.96 38.11 3c0d s TYR 34 CO -0.08 -1.15 0.47 0.42 -1.34 0.00 0.00 175.55 173.86 3c0d s ILE 35 N 4.11 4.34 0.00 3.14 -1.09 -1.00 0.34 121.20 131.04 3c0d s ILE 35 Ca 0.44 -2.34 0.00 0.00 -2.23 0.00 0.00 60.65 56.51 3c0d s ILE 35 Cb -0.09 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 3c0d s ILE 35 CO 0.28 -0.87 0.00 -2.65 -1.23 0.00 0.00 174.94 170.48 3c0d n PRO 36 N 4.21 0.00 -0.38 2.79 -0.02 -1.26 -0.59 135.00 139.75 3c0d n PRO 36 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3c0d n PRO 36 Cb 0.41 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.06 3c0d n PRO 36 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3c0d n ASP 37 N -1.63 2.98 0.00 2.55 5.68 -1.26 -4.04 116.55 120.83 3c0d n ASP 37 Ca 0.00 -2.39 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 3c0d n ASP 37 Cb 0.00 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 3c0d n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3c0d n SER 38 N 0.25 0.51 0.00 -1.12 7.64 0.24 -5.16 113.62 115.99 3c0d n SER 38 Ca 0.12 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3c0d n SER 38 Cb 0.65 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 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 0.51 0.76 3.82 0.23 0.00 -0.88 -5.00 105.19 104.63 3c0d n GLY 39 Ca 0.00 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 3c0d n GLY 39 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3c0d s VAL 40 N -1.15 5.34 -0.06 1.61 -7.23 -1.26 -2.36 120.40 115.29 3c0d s VAL 40 Ca 0.00 0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.30 3c0d s VAL 40 Cb 0.00 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 3c0d s VAL 40 CO 0.00 0.57 0.06 -0.31 -0.31 0.00 0.00 175.10 175.11 3c0d s TYR 41 N -0.66 3.29 -0.15 2.82 2.02 0.27 -4.62 117.35 120.31 3c0d s TYR 41 Ca 0.13 0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 57.07 3c0d s TYR 41 Cb -0.12 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3c0d s TYR 41 CO 0.02 0.55 -0.10 0.00 -1.57 0.00 0.00 175.55 174.45 3c0d s ALA 42 N -1.03 2.71 0.03 3.71 0.00 -1.26 -0.06 121.76 125.87 3c0d s ALA 42 Ca 0.17 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 3c0d s ALA 42 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 3c0d s ALA 42 CO 0.07 0.10 -0.03 0.08 0.00 0.00 0.00 175.76 175.98 3c0d s VAL 43 N 0.59 0.14 0.45 0.00 1.01 -1.02 -2.57 120.40 119.00 3c0d s VAL 43 Ca -0.06 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.51 3c0d s VAL 43 Cb -0.15 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 3c0d s VAL 43 CO 0.03 -0.64 1.36 0.00 0.00 0.00 0.00 175.10 175.85 3c0d s GLN 44 N -2.16 3.71 0.04 2.72 -2.07 -0.99 0.13 119.66 121.04 3c0d s GLN 44 Ca -0.09 2.26 0.27 0.00 -1.82 0.00 0.00 55.36 55.97 3c0d s GLN 44 Cb -0.05 -2.62 0.87 0.00 -1.09 0.00 0.00 33.01 30.12 3c0d s GLN 44 CO -0.04 -0.74 1.69 -3.47 -1.32 0.00 0.00 175.29 171.41 3c0d n ASP 45 N -0.22 0.34 -4.61 12.60 2.03 -0.41 -4.59 116.55 121.68 3c0d n ASP 45 Ca 0.05 0.25 -0.43 0.00 0.52 0.00 0.00 54.79 55.19 3c0d n ASP 45 Cb 0.43 -0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 40.55 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 -3.03 3.10 -0.68 -0.67 -0.11 -1.26 -1.09 118.94 115.19 3c0d s TRP 46 Ca 0.12 0.83 -0.27 0.00 1.22 0.00 0.00 56.10 57.99 3c0d s TRP 46 Cb 0.17 -3.62 0.02 0.00 -1.50 0.00 0.00 33.47 28.54 3c0d s TRP 46 CO 0.61 -0.80 1.43 0.34 -4.62 0.00 0.00 176.95 173.92 3c0d s ASP 47 N 1.83 5.95 0.62 5.86 2.15 -0.43 -4.89 116.67 127.76 3c0d s ASP 47 Ca 0.38 -0.16 0.34 0.00 0.43 0.00 0.00 52.55 53.54 3c0d s ASP 47 Cb -0.12 -2.55 1.94 0.00 -0.30 0.00 0.00 42.92 41.88 3c0d s ASP 47 CO 0.18 -1.94 2.21 1.55 -0.17 0.00 0.00 175.17 177.00 3c0d h PRO 48 N 11.31 0.00 0.09 4.34 0.13 -1.94 1.16 132.00 147.09 3c0d h PRO 48 Ca -0.27 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.58 3c0d h PRO 48 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3c0d h PRO 48 CO 1.25 0.00 -1.46 0.82 -0.23 0.00 0.00 178.00 178.38 3c0d h ILE 49 N 0.00 0.95 0.00 -3.56 2.04 -1.98 -3.38 117.51 111.59 3c0d h ILE 49 Ca 0.03 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3c0d h ILE 49 Cb 0.22 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3c0d h ILE 49 CO -0.00 0.66 -0.71 1.23 0.00 0.00 0.00 178.15 179.33 3c0d h GLY 50 N 0.04 0.00 -4.48 5.37 0.00 -1.91 -3.49 103.07 98.59 3c0d h GLY 50 Ca -0.33 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 3c0d h GLY 50 CO 0.01 0.00 -0.53 0.28 0.00 0.00 0.00 176.54 176.30 3c0d n LYS 51 N -2.63 -2.42 -3.52 4.80 4.76 0.40 -5.03 118.16 114.51 3c0d n LYS 51 Ca 0.02 0.55 -0.13 0.00 -2.87 0.00 0.00 58.31 55.88 3c0d n LYS 51 Cb 0.52 -4.41 -0.04 0.00 -1.84 0.00 0.00 35.03 29.26 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 -3.24 -1.81 -1.17 7.82 0.00 -1.22 -4.97 121.76 117.16 3c0d s ALA 52 Ca 0.19 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.19 3c0d s ALA 52 Cb -0.02 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.10 3c0d s ALA 52 CO 0.47 -0.46 1.64 0.71 0.00 0.00 0.00 175.76 178.12 3c0d s TYR 53 N -1.84 2.62 -0.46 0.00 2.02 -1.26 -1.32 117.35 117.11 3c0d s TYR 53 Ca -0.04 -1.16 0.04 0.00 -0.37 0.00 0.00 57.07 55.54 3c0d s TYR 53 Cb -0.00 -4.69 0.17 0.00 -0.40 0.00 0.00 41.96 37.04 3c0d s TYR 53 CO 0.01 -1.84 0.36 0.54 -1.57 0.00 0.00 175.55 173.05 3c0d s VAL 54 N 4.97 0.75 0.00 0.71 0.11 -0.25 -4.93 120.40 121.76 3c0d s VAL 54 Ca 0.52 -2.91 0.00 0.00 -2.93 0.00 0.00 61.98 56.66 3c0d s VAL 54 Cb 0.02 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 3c0d s VAL 54 CO 0.01 -1.20 0.00 -1.54 -3.33 0.00 0.00 175.10 169.04 3c0d n SER 56 N 2.72 0.00 -0.75 3.54 3.41 -1.26 -3.71 113.62 117.57 3c0d n SER 56 Ca 0.28 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 3c0d n SER 56 Cb 0.46 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.22 1.80 -1.19 4.33 5.12 -1.26 -3.68 116.66 122.00 3c0d n ARG 57 Ca 0.00 -1.56 -0.29 0.00 -1.93 0.00 0.00 57.85 54.07 3c0d n ARG 57 Cb 0.00 -1.40 0.15 0.00 -1.16 0.00 0.00 32.46 30.05 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 -1.87 1.61 -0.13 -0.13 0.00 -1.24 -4.77 107.32 100.79 3c0d s GLY 58 Ca 0.23 -0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.75 3c0d s GLY 58 CO 0.32 0.39 0.14 -0.42 0.00 0.00 0.00 173.10 173.53 3c0d s ILE 59 N -2.94 5.48 -0.17 0.90 1.01 -1.22 -4.72 121.20 119.54 3c0d s ILE 59 Ca 0.64 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.45 3c0d s ILE 59 Cb -0.18 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3c0d s ILE 59 CO 0.57 0.60 -0.02 0.68 0.00 0.00 0.00 174.94 176.77 3c0d s VAL 60 N -0.89 3.95 0.26 2.92 -7.23 -1.26 -1.75 120.40 116.40 3c0d s VAL 60 Ca 0.14 -0.33 -0.03 0.00 -1.81 0.00 0.00 61.98 59.95 3c0d s VAL 60 Cb -0.12 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 3c0d s VAL 60 CO 0.03 0.47 0.31 -0.83 -0.31 0.00 0.00 175.10 174.77 3c0d s GLY 61 N 0.57 1.38 -0.13 2.32 0.00 -0.76 -4.98 107.32 105.72 3c0d s GLY 61 Ca -0.02 -1.53 -0.15 0.00 0.00 0.00 0.00 44.72 43.02 3c0d s GLY 61 CO 0.02 -1.15 0.37 -0.35 0.00 0.00 0.00 173.10 172.00 3c0d s ASP 62 N -3.18 6.56 -0.24 1.64 -1.08 -1.26 -2.48 116.67 116.63 3c0d s ASP 62 Ca 0.34 0.66 -0.03 0.00 -0.52 0.00 0.00 52.55 53.00 3c0d s ASP 62 Cb 0.03 -2.23 0.08 0.00 -1.46 0.00 0.00 42.92 39.34 3c0d s ASP 62 CO 0.16 0.09 0.08 -0.63 0.52 0.00 0.00 175.17 175.38 3c0d s ILE 63 N 0.37 0.37 -1.03 4.11 1.09 -0.90 -4.94 121.20 120.26 3c0d s ILE 63 Ca 0.21 -0.73 -0.16 0.00 -1.10 0.00 0.00 60.65 58.87 3c0d s ILE 63 Cb -0.14 -1.09 0.00 0.00 -1.06 0.00 0.00 42.46 40.17 3c0d s ILE 63 CO 0.07 -0.45 0.73 -3.20 -0.10 0.00 0.00 174.94 172.00 3c0d n ASN 64 N 5.09 -5.40 0.00 3.58 2.85 -1.26 -2.81 115.26 117.32 3c0d n ASN 64 Ca -0.06 -0.93 0.00 0.00 -0.11 0.00 0.00 54.58 53.48 3c0d n ASN 64 Cb 0.45 -3.04 0.00 0.00 1.24 0.00 0.00 39.78 38.43 3c0d n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3c0d n GLY 65 N -1.74 1.72 0.00 8.20 0.00 -1.26 -5.21 105.19 106.90 3c0d n GLY 65 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3c0d n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3c0d n GLU 66 N 0.00 3.31 0.00 1.61 1.02 -1.12 -5.11 120.64 120.35 3c0d n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3c0d n GLU 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3c0d n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3c0d s VAL 69 N -2.00 4.27 -0.19 0.00 0.11 -0.11 -1.83 120.40 120.65 3c0d s VAL 69 Ca 0.00 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.45 3c0d s VAL 69 Cb 0.00 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.92 3c0d s VAL 69 CO 0.00 0.37 -0.05 0.00 -3.33 0.00 0.00 175.10 172.09 3c0d s ALA 70 N -1.11 2.86 0.08 1.54 0.00 -0.72 -0.98 121.76 123.43 3c0d s ALA 70 Ca 0.20 -1.01 -0.34 0.00 0.00 0.00 0.00 51.96 50.81 3c0d s ALA 70 Cb -0.12 -1.59 -0.14 0.00 0.00 0.00 0.00 23.12 21.27 3c0d s ALA 70 CO 0.11 -0.11 1.62 0.45 0.00 0.00 0.00 175.76 177.83 3c0d n SER 71 N 4.18 2.97 0.04 0.00 2.88 -0.90 -3.43 113.62 119.36 3c0d n SER 71 Ca -0.18 1.06 0.05 0.00 -1.33 0.00 0.00 58.87 58.48 3c0d n SER 71 Cb 0.52 -1.38 0.24 0.00 -0.75 0.00 0.00 64.21 62.84 3c0d n SER 71 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3c0d n PRO 72 N 4.10 0.04 0.00 -1.46 -0.02 -1.26 -2.33 135.00 134.08 3c0d n PRO 72 Ca 0.19 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3c0d n PRO 72 Cb 0.27 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3c0d n PRO 72 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3c0d n LEU 73 N -1.68 2.23 -1.63 2.45 4.77 -1.26 -4.72 117.00 117.15 3c0d n LEU 73 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 3c0d n LEU 73 Cb 0.09 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.42 3c0d n LEU 73 CO 0.08 0.00 0.94 -1.22 -1.33 0.00 0.00 177.39 175.86 3c0d n TYR 74 N -0.71 1.95 -0.96 -1.77 4.01 -1.25 -4.97 117.16 113.45 3c0d n TYR 74 Ca 0.00 -1.41 -0.02 0.00 -0.16 0.00 0.00 57.90 56.31 3c0d n TYR 74 Cb 0.00 -0.63 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 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 -0.72 -1.94 -0.69 -0.72 4.76 -0.98 -4.98 118.16 112.89 3c0d n LYS 75 Ca 0.40 0.52 -0.31 0.00 -2.87 0.00 0.00 58.31 56.05 3c0d n LYS 75 Cb 1.27 -4.81 0.17 0.00 -1.84 0.00 0.00 35.03 29.82 3c0d n LYS 75 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3c0d s GLN 76 N -1.98 0.86 -0.26 1.97 1.11 -1.26 -4.68 119.66 115.42 3c0d s GLN 76 Ca 0.00 1.49 0.01 0.00 0.01 0.00 0.00 55.36 56.87 3c0d s GLN 76 Cb 0.00 -1.71 0.05 0.00 -1.01 0.00 0.00 33.01 30.33 3c0d s GLN 76 CO 0.00 -2.72 -0.08 -1.01 0.01 0.00 0.00 175.29 171.49 3c0d s HIS 77 N -2.64 3.18 -0.13 0.91 3.76 -1.26 -2.11 115.29 117.00 3c0d s HIS 77 Ca 0.67 -2.02 -0.06 0.00 -0.15 0.00 0.00 55.06 53.50 3c0d s HIS 77 Cb -0.23 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 3c0d s HIS 77 CO 0.58 -0.83 0.10 -0.06 -0.85 0.00 0.00 174.74 173.69 3c0d s PHE 78 N 1.19 3.45 0.26 1.40 0.08 -0.16 -1.44 117.98 122.77 3c0d s PHE 78 Ca -0.05 0.39 -0.26 0.00 0.12 0.00 0.00 56.93 57.13 3c0d s PHE 78 Cb -0.19 -1.96 -0.09 0.00 -0.57 0.00 0.00 43.02 40.22 3c0d s PHE 78 CO -0.05 0.56 0.88 0.45 -0.10 0.00 0.00 175.22 176.97 3c0d s SER 79 N -0.66 7.37 0.40 1.36 0.15 -0.79 -0.93 113.70 120.60 3c0d s SER 79 Ca 0.12 1.76 -0.15 0.00 0.70 0.00 0.00 55.95 58.38 3c0d s SER 79 Cb -0.12 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.56 3c0d s SER 79 CO 0.02 0.04 0.83 -0.76 1.20 0.00 0.00 173.24 174.58 3c0d s LEU 80 N -1.70 3.90 -1.22 3.45 1.43 -1.26 -0.26 118.68 123.01 3c0d s LEU 80 Ca 0.45 1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 54.83 3c0d s LEU 80 Cb -0.21 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 41.77 3c0d s LEU 80 CO 0.26 -0.35 0.72 1.17 0.23 0.00 0.00 176.35 178.38 3c0d n LYS 81 N -0.86 -2.85 0.00 1.70 0.00 -1.26 -4.50 118.16 110.38 3c0d n LYS 81 Ca 0.04 0.55 0.00 0.00 0.00 0.00 0.00 58.31 58.90 3c0d n LYS 81 Cb 0.54 -4.73 0.00 0.00 0.00 0.00 0.00 35.03 30.84 3c0d n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3c0d n SER 82 N -2.91 0.00 0.00 3.14 2.88 -1.25 -5.01 113.62 110.46 3c0d n SER 82 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 3c0d n SER 82 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 3c0d n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3c0d n GLY 83 N 0.00 2.69 3.72 0.46 0.00 0.64 -4.70 105.19 108.00 3c0d n GLY 83 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3c0d n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3c0d n GLN 84 N -2.00 2.14 -2.14 1.61 -0.06 -1.26 -0.77 117.38 114.91 3c0d n GLN 84 Ca 0.00 0.76 -0.28 0.00 -2.00 0.00 0.00 57.00 55.47 3c0d n GLN 84 Cb 0.00 -2.46 0.04 0.00 -4.06 0.00 0.00 30.24 23.76 3c0d n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3c0d n LEU 86 N -2.78 2.78 0.00 0.00 4.32 -0.52 -4.47 117.00 116.32 3c0d n LEU 86 Ca 0.06 -5.22 0.00 0.00 -0.02 0.00 0.00 56.01 50.82 3c0d n LEU 86 Cb 0.57 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 3c0d n LEU 86 CO 0.55 2.01 0.00 1.21 -1.22 0.00 0.00 177.39 179.94 3c0d n GLU 87 N 1.20 0.00 -3.78 3.23 4.07 -1.26 -4.44 120.64 119.66 3c0d n GLU 87 Ca 0.27 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.20 3c0d n GLU 87 Cb 0.43 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.64 3c0d n GLU 87 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3c0d s ASP 88 N 0.00 0.35 0.40 4.31 1.01 -1.26 -4.97 116.67 116.51 3c0d s ASP 88 Ca 0.00 0.04 0.07 0.00 0.71 0.00 0.00 52.55 53.37 3c0d s ASP 88 Cb 0.00 -0.11 0.81 0.00 1.01 0.00 0.00 42.92 44.63 3c0d s ASP 88 CO 0.00 -0.15 2.01 -0.08 0.21 0.00 0.00 175.17 177.16 3c0d h GLU 89 N 7.53 0.49 -7.58 8.23 4.57 -2.01 -3.39 114.58 122.42 3c0d h GLU 89 Ca -0.39 -0.05 -0.45 0.00 -1.18 0.00 0.00 59.36 57.29 3c0d h GLU 89 Cb 1.12 -0.10 0.14 0.00 -0.16 0.00 0.00 28.75 29.75 3c0d h GLU 89 CO 0.41 0.39 0.31 0.00 -1.18 0.00 0.00 179.01 178.95 3c0d s ALA 90 N -5.29 2.75 -0.10 2.92 0.00 -1.26 -4.87 121.76 115.91 3c0d s ALA 90 Ca -0.08 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 3c0d s ALA 90 Cb 0.17 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.82 3c0d s ALA 90 CO 0.74 -2.12 0.15 0.72 0.00 0.00 0.00 175.76 175.25 3c0d n HIS 91 N -3.45 -4.67 -3.81 0.00 8.25 -1.26 -4.59 115.22 105.69 3c0d n HIS 91 Ca 0.15 2.75 -0.13 0.00 -0.26 0.00 0.00 57.72 60.23 3c0d n HIS 91 Cb 0.60 -3.91 -0.15 0.00 1.12 0.00 0.00 29.99 27.65 3c0d n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3c0d s LEU 93 N 0.56 4.42 0.42 0.00 1.43 0.05 -4.93 118.68 120.63 3c0d s LEU 93 Ca -0.04 1.72 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 3c0d s LEU 93 Cb -0.06 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 3c0d s LEU 93 CO -0.02 -0.19 1.39 -0.75 0.23 0.00 0.00 176.35 177.01 3c0d s LYS 94 N 0.61 3.87 0.14 1.70 2.20 -1.26 -4.24 119.74 122.76 3c0d s LYS 94 Ca 0.50 2.34 0.06 0.00 -0.36 0.00 0.00 55.97 58.51 3c0d s LYS 94 Cb -0.22 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 3c0d s LYS 94 CO 0.29 -0.64 -0.14 0.95 -0.36 0.00 0.00 175.35 175.45 3c0d s THR 95 N -1.21 1.41 -0.02 3.43 -4.23 -1.26 -2.34 115.64 111.43 3c0d s THR 95 Ca 0.58 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 3c0d s THR 95 Cb -0.42 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 3c0d s THR 95 CO 0.55 -0.48 -0.24 0.26 -0.54 0.00 0.00 174.62 174.17 3c0d s TRP 96 N -2.40 2.14 -0.23 3.99 0.51 -1.06 -5.01 118.94 116.88 3c0d s TRP 96 Ca 0.12 -0.40 -0.29 0.00 -2.12 0.00 0.00 56.10 53.41 3c0d s TRP 96 Cb -0.03 -1.37 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 3c0d s TRP 96 CO 0.04 -0.03 1.02 0.50 -0.51 0.00 0.00 176.95 177.96 3c0d s ARG 97 N -0.58 4.26 0.09 4.98 6.06 -1.26 -4.08 118.95 128.41 3c0d s ARG 97 Ca 0.09 1.32 0.05 0.00 -2.50 0.00 0.00 55.73 54.69 3c0d s ARG 97 Cb -0.09 -3.64 -0.04 0.00 0.06 0.00 0.00 34.95 31.24 3c0d s ARG 97 CO -0.01 -0.61 0.02 0.08 -2.50 0.00 0.00 175.30 172.28 3c0d s VAL 98 N 3.12 4.11 0.00 7.11 1.01 -1.26 -1.30 120.40 133.19 3c0d s VAL 98 Ca 0.43 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3c0d s VAL 98 Cb -0.15 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3c0d s VAL 98 CO 0.07 0.11 -0.10 -0.89 0.00 0.00 0.00 175.10 174.28 3c0d s THR 99 N -1.35 0.80 0.03 3.92 2.01 0.25 -4.92 115.64 116.39 3c0d s THR 99 Ca 0.27 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.82 3c0d s THR 99 Cb -0.12 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 3c0d s THR 99 CO 0.19 0.16 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.34 3c0d s VAL 100 N -0.37 2.00 0.00 3.82 1.01 -1.26 -0.91 120.40 124.68 3c0d s VAL 100 Ca 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.72 3c0d s VAL 100 Cb -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3c0d s VAL 100 CO -0.00 0.36 0.00 0.47 0.00 0.00 0.00 175.10 175.93 3c0d n ASP 101 N 1.92 0.00 0.03 3.32 9.92 -1.11 -4.99 116.55 125.64 3c0d n ASP 101 Ca -0.17 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.08 3c0d n ASP 101 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 3c0d n ASP 101 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 3c0d h ASP 102 N 0.00 -0.09 0.00 -2.24 1.82 -2.04 -3.44 116.42 110.44 3c0d h ASP 102 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 3c0d h ASP 102 Cb 0.00 0.02 -0.09 0.00 0.68 0.00 0.00 39.33 39.95 3c0d h ASP 102 CO 0.00 0.03 -0.28 -0.46 -1.61 0.00 0.00 179.24 176.92 3c0d n ASN 103 N -2.78 -0.24 -4.51 2.28 6.94 -1.26 -5.03 115.26 110.67 3c0d n ASN 103 Ca -0.01 -1.58 -0.40 0.00 -0.02 0.00 0.00 54.58 52.56 3c0d n ASN 103 Cb 0.04 0.04 -0.11 0.00 -2.36 0.00 0.00 39.78 37.40 3c0d n ASN 103 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3c0d s GLN 104 N 0.00 3.43 -0.11 -3.83 2.00 -1.26 0.67 119.66 120.56 3c0d s GLN 104 Ca 0.04 -0.68 -0.15 0.00 -2.00 0.00 0.00 55.36 52.57 3c0d s GLN 104 Cb 0.04 -3.79 -0.05 0.00 0.80 0.00 0.00 33.01 30.02 3c0d s GLN 104 CO -0.02 -0.46 0.35 0.08 -0.50 0.00 0.00 175.29 174.74 3c0d s VAL 105 N 1.70 5.23 0.03 1.34 1.01 0.54 -2.76 120.40 127.48 3c0d s VAL 105 Ca 0.06 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 3c0d s VAL 105 Cb -0.17 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3c0d s VAL 105 CO 0.10 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.63 3c0d s TYR 107 N -2.07 3.03 -0.49 0.00 1.13 -0.86 0.87 117.35 118.96 3c0d s TYR 107 Ca -0.10 -0.25 -0.12 0.00 -1.41 0.00 0.00 57.07 55.18 3c0d s TYR 107 Cb -0.05 -1.92 0.11 0.00 -1.10 0.00 0.00 41.96 39.00 3c0d s TYR 107 CO -0.03 0.06 0.39 -0.51 -2.51 0.00 0.00 175.55 172.95 3c0d s LEU 108 N -4.10 5.77 0.00 -3.49 1.43 -0.42 -2.36 118.68 115.51 3c0d s LEU 108 Ca 0.43 -1.74 0.14 0.00 -1.03 0.00 0.00 54.13 51.93 3c0d s LEU 108 Cb -0.08 -2.09 0.81 0.00 0.03 0.00 0.00 46.19 44.86 3c0d s LEU 108 CO 0.29 -0.72 1.24 0.00 0.23 0.00 0.00 176.35 177.39