#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 3.88 -0.04 -5.08 -4.23 -1.26 -4.89 115.64 104.02 3c0d s THR 5 Ca 0.00 1.44 0.05 0.00 -1.18 0.00 0.00 61.69 62.00 3c0d s THR 5 Cb 0.00 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 3c0d s THR 5 CO 0.00 0.01 -0.19 -1.59 -0.54 0.00 0.00 174.62 172.31 3c0d s LYS 6 N -2.46 2.36 -0.17 3.99 -2.85 -1.26 -0.50 119.74 118.85 3c0d s LYS 6 Ca 0.56 -0.80 -0.01 0.00 -1.00 0.00 0.00 55.97 54.73 3c0d s LYS 6 Cb -0.20 -2.24 -0.00 0.00 -2.06 0.00 0.00 37.83 33.32 3c0d s LYS 6 CO 0.26 0.58 -0.12 0.08 0.10 0.00 0.00 175.35 176.25 3c0d s VAL 7 N -0.64 2.90 0.05 1.79 1.01 -0.50 -4.92 120.40 120.09 3c0d s VAL 7 Ca 0.10 -0.68 -0.37 0.00 0.00 0.00 0.00 61.98 61.04 3c0d s VAL 7 Cb -0.11 -2.26 -0.16 0.00 0.00 0.00 0.00 36.38 33.86 3c0d s VAL 7 CO 0.00 0.49 1.44 0.29 0.00 0.00 0.00 175.10 177.33 3c0d n LYS 8 N 4.26 1.34 -0.02 2.72 5.02 -1.26 -2.42 118.16 127.80 3c0d n LYS 8 Ca -0.19 0.48 -0.05 0.00 -2.02 0.00 0.00 58.31 56.54 3c0d n LYS 8 Cb 0.51 -2.16 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 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 3.14 1.46 -3.82 -0.35 7.94 0.38 -4.90 117.00 120.84 3c0d n LEU 9 Ca 0.19 0.22 -0.06 0.00 -1.11 0.00 0.00 56.01 55.26 3c0d n LEU 9 Cb 0.20 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.64 3c0d n LEU 9 CO 0.65 -0.49 0.63 0.00 -1.11 0.00 0.00 177.39 177.07 3c0d s GLN 11 N -2.97 4.28 0.30 0.00 -1.52 -1.26 -0.27 119.66 118.21 3c0d s GLN 11 Ca 0.15 0.81 0.05 0.00 -1.95 0.00 0.00 55.36 54.42 3c0d s GLN 11 Cb -0.04 -3.26 0.69 0.00 -0.22 0.00 0.00 33.01 30.18 3c0d s GLN 11 CO 0.06 0.59 1.80 1.25 -0.25 0.00 0.00 175.29 178.74 3c0d h LEU 12 N 4.67 0.82 -0.50 2.90 5.85 -0.86 0.68 115.31 128.86 3c0d h LEU 12 Ca -0.49 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3c0d h LEU 12 Cb 1.21 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3c0d h LEU 12 CO 0.65 0.35 0.00 -0.90 -0.34 0.00 0.00 178.44 178.20 3c0d n ASP 13 N -4.70 0.42 0.02 1.25 5.75 -1.26 -0.81 116.55 117.22 3c0d n ASP 13 Ca 0.22 -1.66 0.11 0.00 -0.01 0.00 0.00 54.79 53.45 3c0d n ASP 13 Cb 0.50 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 -0.21 0.60 -1.60 -1.12 8.00 0.23 -5.15 116.55 117.31 3c0d n ASP 14 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3c0d n ASP 14 Cb 0.10 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.98 0.00 -4.56 0.64 4.77 0.01 -5.00 117.00 110.88 3c0d n LEU 15 Ca 0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 3c0d n LEU 15 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3c0d n LEU 15 CO 0.41 -0.29 -0.27 -2.84 -1.33 0.00 0.00 177.39 173.07 3c0d s PRO 17 N -1.10 3.84 -0.11 3.23 0.02 -1.26 -4.96 135.00 134.66 3c0d s PRO 17 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 61.00 60.62 3c0d s PRO 17 Cb 0.00 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3c0d s PRO 17 CO 0.00 0.10 0.00 1.19 -0.33 0.00 0.00 177.00 177.96 3c0d n PHE 18 N 4.05 0.00 -4.10 6.54 3.72 -0.21 -4.97 117.46 122.49 3c0d n PHE 18 Ca -0.16 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.91 3c0d n PHE 18 Cb 0.52 -1.43 -0.16 0.00 -0.94 0.00 0.00 39.48 37.48 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 -1.42 2.06 0.22 4.37 1.01 -1.26 -4.49 121.20 121.69 3c0d s ILE 19 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 60.65 59.23 3c0d s ILE 19 Cb 0.00 -1.94 -0.13 0.00 0.01 0.00 0.00 42.46 40.40 3c0d s ILE 19 CO 0.00 0.39 1.59 0.61 0.00 0.00 0.00 174.94 177.54 3c0d n GLY 20 N 4.58 1.23 3.16 6.18 0.00 -1.20 -4.68 105.19 114.46 3c0d n GLY 20 Ca -0.19 0.58 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 0.62 2.15 0.40 4.61 0.00 -0.48 -4.76 121.76 124.30 3c0d s ALA 21 Ca 0.73 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 3c0d s ALA 21 Cb -0.58 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 3c0d s ALA 21 CO 0.41 0.03 0.84 0.95 0.00 0.00 0.00 175.76 177.98 3c0d s THR 22 N 0.74 4.62 0.27 0.00 -4.23 -1.26 -0.35 115.64 115.42 3c0d s THR 22 Ca -0.09 1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 61.30 3c0d s THR 22 Cb -0.16 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.03 3c0d s THR 22 CO 0.00 -0.40 0.58 0.68 -0.54 0.00 0.00 174.62 174.94 3c0d s VAL 23 N -2.25 0.00 -0.08 2.29 -7.23 -0.21 -4.91 120.40 108.00 3c0d s VAL 23 Ca 0.56 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 3c0d s VAL 23 Cb -0.10 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 3c0d s VAL 23 CO 0.23 0.00 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.04 3c0d s LEU 24 N -3.00 2.24 -0.26 1.32 1.02 -1.26 -1.17 118.68 117.57 3c0d s LEU 24 Ca 0.19 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.88 3c0d s LEU 24 Cb -0.03 -1.44 0.06 0.00 0.02 0.00 0.00 46.19 44.81 3c0d s LEU 24 CO 0.09 0.21 -0.06 -0.63 0.02 0.00 0.00 176.35 175.98 3c0d s ILE 25 N 0.05 1.84 -1.49 -0.59 1.01 -0.96 -4.78 121.20 116.28 3c0d s ILE 25 Ca -0.09 -1.49 -0.01 0.00 0.00 0.00 0.00 60.65 59.05 3c0d s ILE 25 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3c0d s ILE 25 CO 0.06 -0.13 0.16 -0.62 0.00 0.00 0.00 174.94 174.41 3c0d n GLU 26 N 4.54 -1.65 0.00 2.79 -0.58 -1.26 -1.53 120.64 122.96 3c0d n GLU 26 Ca -0.11 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3c0d n GLU 26 Cb 0.43 -3.84 0.00 0.00 -0.57 0.00 0.00 31.44 27.46 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 -2.38 3.13 3.84 0.62 0.00 -1.26 -5.04 105.19 104.10 3c0d n GLY 27 Ca -0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.39 3.99 -0.17 1.61 2.02 -0.58 -5.03 118.70 120.15 3c0d s GLU 28 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.19 3c0d s GLU 28 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 3c0d s GLU 28 CO 0.00 0.53 1.38 0.50 0.02 0.00 0.00 175.26 177.69 3c0d s ARG 29 N -1.73 4.14 0.07 1.61 6.06 -1.26 -2.27 118.95 125.57 3c0d s ARG 29 Ca 0.34 1.71 0.09 0.00 -2.50 0.00 0.00 55.73 55.37 3c0d s ARG 29 Cb -0.16 -3.85 -0.03 0.00 0.06 0.00 0.00 34.95 30.97 3c0d s ARG 29 CO 0.18 -0.85 -0.25 0.08 -2.50 0.00 0.00 175.30 171.97 3c0d s VAL 30 N 3.89 2.04 -0.20 7.11 1.01 -0.32 -1.50 120.40 132.43 3c0d s VAL 30 Ca 0.60 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3c0d s VAL 30 Cb -0.23 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 3c0d s VAL 30 CO 0.20 0.21 -0.09 0.00 0.00 0.00 0.00 175.10 175.42 3c0d s ALA 31 N -0.91 2.68 -0.10 5.51 0.00 0.16 -1.05 121.76 128.04 3c0d s ALA 31 Ca 0.11 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 3c0d s ALA 31 Cb -0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 3c0d s ALA 31 CO 0.03 -0.31 0.23 -0.51 0.00 0.00 0.00 175.76 175.20 3c0d s LEU 32 N 1.27 4.37 -0.21 0.00 1.43 0.52 -1.54 118.68 124.52 3c0d s LEU 32 Ca 0.03 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3c0d s LEU 32 Cb -0.14 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.89 3c0d s LEU 32 CO -0.04 0.32 0.02 -0.36 0.23 0.00 0.00 176.35 176.52 3c0d s PHE 33 N -0.66 1.34 -0.35 0.29 0.08 0.66 -1.39 117.98 117.96 3c0d s PHE 33 Ca 0.17 -1.09 -0.23 0.00 0.12 0.00 0.00 56.93 55.89 3c0d s PHE 33 Cb -0.13 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.14 3c0d s PHE 33 CO 0.06 -0.66 0.79 -0.47 -0.10 0.00 0.00 175.22 174.83 3c0d s TYR 34 N 1.75 3.14 -0.36 0.36 5.04 -1.26 -1.05 117.35 124.96 3c0d s TYR 34 Ca -0.01 0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 55.20 3c0d s TYR 34 Cb -0.17 -3.35 0.06 0.00 0.35 0.00 0.00 41.96 38.84 3c0d s TYR 34 CO -0.09 -0.68 0.15 0.42 -1.34 0.00 0.00 175.55 174.00 3c0d s ILE 35 N 3.07 3.78 0.19 3.14 -1.09 0.15 -1.04 121.20 129.39 3c0d s ILE 35 Ca 0.32 -1.32 -0.18 0.00 -2.23 0.00 0.00 60.65 57.24 3c0d s ILE 35 Cb -0.13 -3.24 0.15 0.00 -1.58 0.00 0.00 42.46 37.66 3c0d s ILE 35 CO 0.16 -0.31 1.36 -2.65 -1.23 0.00 0.00 174.94 172.26 3c0d n PRO 36 N 4.80 -0.25 0.19 2.79 -0.02 -1.26 0.61 135.00 141.85 3c0d n PRO 36 Ca -0.11 1.34 0.04 0.00 -2.02 0.00 0.00 63.50 62.76 3c0d n PRO 36 Cb 0.44 -1.99 0.35 0.00 -0.02 0.00 0.00 33.50 32.28 3c0d n PRO 36 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3c0d h ASP 37 N 0.00 0.00 0.00 2.55 5.19 -2.04 -3.36 116.42 118.76 3c0d h ASP 37 Ca 0.27 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.33 3c0d h ASP 37 Cb 0.48 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 3c0d h ASP 37 CO -0.86 0.39 -2.29 -1.20 -3.12 0.00 0.00 179.24 172.16 3c0d n SER 38 N -3.76 1.04 0.00 6.45 7.64 0.21 -5.13 113.62 120.07 3c0d n SER 38 Ca -0.01 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3c0d n SER 38 Cb 0.47 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 2.04 0.03 3.09 0.23 0.00 0.20 -4.97 105.19 105.81 3c0d n GLY 39 Ca -0.34 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.24 1.52 -0.06 1.61 1.01 -1.26 0.31 120.40 123.29 3c0d s VAL 40 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3c0d s VAL 40 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3c0d s VAL 40 CO 0.00 0.44 -0.11 -0.31 0.00 0.00 0.00 175.10 175.13 3c0d s TYR 41 N 0.67 2.82 -0.07 5.22 1.51 -0.22 -4.63 117.35 122.67 3c0d s TYR 41 Ca -0.13 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 3c0d s TYR 41 Cb -0.16 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3c0d s TYR 41 CO 0.04 0.23 -0.21 0.00 -1.11 0.00 0.00 175.55 174.50 3c0d s ALA 42 N -0.70 2.35 0.05 3.71 0.00 -1.26 -0.24 121.76 125.67 3c0d s ALA 42 Ca 0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 3c0d s ALA 42 Cb -0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3c0d s ALA 42 CO 0.01 0.42 0.05 0.14 0.00 0.00 0.00 175.76 176.38 3c0d s VAL 43 N -0.21 0.18 0.35 0.00 -7.23 -0.59 -3.21 120.40 109.68 3c0d s VAL 43 Ca -0.01 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 3c0d s VAL 43 Cb -0.13 -1.26 -0.11 0.00 0.56 0.00 0.00 36.38 35.44 3c0d s VAL 43 CO 0.03 -0.80 1.52 0.00 -0.31 0.00 0.00 175.10 175.55 3c0d s GLN 44 N -3.45 4.11 0.23 4.82 -2.07 -0.23 0.36 119.66 123.44 3c0d s GLN 44 Ca 0.02 2.57 0.12 0.00 -1.82 0.00 0.00 55.36 56.26 3c0d s GLN 44 Cb 0.04 -2.99 0.04 0.00 -1.09 0.00 0.00 33.01 29.01 3c0d s GLN 44 CO -0.08 -0.57 1.42 0.22 -1.32 0.00 0.00 175.29 174.96 3c0d h ASP 45 N 3.64 0.00 -2.95 12.60 3.58 -1.54 -3.43 116.42 128.33 3c0d h ASP 45 Ca -0.50 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.41 3c0d h ASP 45 Cb 1.23 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 3c0d h ASP 45 CO 0.69 0.67 0.80 0.86 -2.88 0.00 0.00 179.24 179.38 3c0d s TRP 46 N -2.96 2.94 -0.46 0.28 -0.11 -1.26 -1.83 118.94 115.54 3c0d s TRP 46 Ca 0.02 0.92 -0.28 0.00 1.22 0.00 0.00 56.10 57.98 3c0d s TRP 46 Cb 0.09 -3.61 0.03 0.00 -1.50 0.00 0.00 33.47 28.48 3c0d s TRP 46 CO 0.77 -2.17 1.05 0.34 -4.62 0.00 0.00 176.95 172.31 3c0d s ASP 47 N 1.77 6.60 0.64 5.86 -1.08 -0.77 -4.92 116.67 124.78 3c0d s ASP 47 Ca 0.62 0.38 0.40 0.00 -0.52 0.00 0.00 52.55 53.43 3c0d s ASP 47 Cb -0.30 -2.51 2.20 0.00 -1.46 0.00 0.00 42.92 40.86 3c0d s ASP 47 CO 0.25 -1.14 2.32 1.55 0.52 0.00 0.00 175.17 178.68 3c0d h PRO 48 N 9.07 0.00 -3.75 4.34 0.13 -1.93 -1.02 132.00 138.83 3c0d h PRO 48 Ca -0.23 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.26 3c0d h PRO 48 Cb 1.07 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.79 3c0d h PRO 48 CO 1.08 0.01 -0.69 0.42 -0.23 0.00 0.00 178.00 178.58 3c0d s ILE 49 N -4.25 2.06 0.00 -3.56 1.01 -1.26 -4.51 121.20 110.69 3c0d s ILE 49 Ca -0.05 -2.64 0.00 0.00 0.00 0.00 0.00 60.65 57.97 3c0d s ILE 49 Cb 0.13 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3c0d s ILE 49 CO 0.46 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 175.27 3c0d n GLY 50 N 3.76 1.41 3.25 6.18 0.00 -1.24 -4.63 105.19 113.92 3c0d n GLY 50 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -1.53 -3.63 1.61 4.76 -0.39 -5.03 118.16 113.95 3c0d n LYS 51 Ca 0.00 1.17 -0.05 0.00 -2.87 0.00 0.00 58.31 56.56 3c0d n LYS 51 Cb 0.00 -5.22 -0.06 0.00 -1.84 0.00 0.00 35.03 27.91 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 -3.13 -2.09 -0.45 7.82 0.00 -1.24 -4.98 121.76 117.68 3c0d s ALA 52 Ca 0.15 1.76 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 3c0d s ALA 52 Cb -0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 3c0d s ALA 52 CO 0.78 -0.20 1.74 0.71 0.00 0.00 0.00 175.76 178.78 3c0d s TYR 53 N -0.41 1.87 -0.47 0.00 2.02 -1.26 -1.84 117.35 117.25 3c0d s TYR 53 Ca 0.05 0.68 0.06 0.00 -0.37 0.00 0.00 57.07 57.49 3c0d s TYR 53 Cb -0.03 -4.16 0.20 0.00 -0.40 0.00 0.00 41.96 37.57 3c0d s TYR 53 CO -0.09 -2.52 0.65 1.55 -1.57 0.00 0.00 175.55 173.57 3c0d n VAL 54 N 7.26 -0.36 0.00 0.71 3.14 -0.76 -4.94 118.33 123.37 3c0d n VAL 54 Ca 0.20 -1.99 0.00 0.00 -2.96 0.00 0.00 64.34 59.59 3c0d n VAL 54 Cb 0.49 0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 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 2.49 0.00 -0.76 6.55 3.41 -1.26 -3.59 113.62 120.45 3c0d n SER 56 Ca 0.19 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 3c0d n SER 56 Cb 0.55 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.82 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 2.02 -2.79 4.33 5.12 -1.26 -3.23 116.66 120.85 3c0d n ARG 57 Ca 0.00 -1.52 -0.36 0.00 -1.93 0.00 0.00 57.85 54.04 3c0d n ARG 57 Cb 0.00 -1.46 -0.07 0.00 -1.16 0.00 0.00 32.46 29.78 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 -1.73 2.72 0.01 -0.13 0.00 -1.24 -4.71 107.32 102.24 3c0d s GLY 58 Ca 0.34 0.50 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 3c0d s GLY 58 CO 0.30 0.91 1.29 -0.42 0.00 0.00 0.00 173.10 175.18 3c0d s ILE 59 N -1.72 3.91 0.18 0.90 1.01 -1.19 -4.69 121.20 119.61 3c0d s ILE 59 Ca 0.52 1.31 -0.20 0.00 0.00 0.00 0.00 60.65 62.29 3c0d s ILE 59 Cb -0.17 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 3c0d s ILE 59 CO 0.22 0.03 0.68 -0.69 0.00 0.00 0.00 174.94 175.18 3c0d s VAL 60 N 1.90 4.61 0.16 2.92 1.01 -1.26 -1.62 120.40 128.11 3c0d s VAL 60 Ca 0.60 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 3c0d s VAL 60 Cb -0.29 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.26 3c0d s VAL 60 CO 0.26 0.31 0.93 -0.83 0.00 0.00 0.00 175.10 175.77 3c0d s GLY 61 N -1.51 -0.23 -0.10 4.51 0.00 -0.83 -5.01 107.32 104.16 3c0d s GLY 61 Ca 0.39 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 45.15 3c0d s GLY 61 CO 0.21 0.01 0.18 0.51 0.00 0.00 0.00 173.10 174.02 3c0d s ASP 62 N -2.92 6.45 -0.12 1.64 1.47 -1.26 -1.85 116.67 120.09 3c0d s ASP 62 Ca 0.12 0.54 -0.01 0.00 1.18 0.00 0.00 52.55 54.38 3c0d s ASP 62 Cb -0.02 -2.10 0.04 0.00 -0.34 0.00 0.00 42.92 40.50 3c0d s ASP 62 CO 0.02 0.39 -0.01 -0.63 0.68 0.00 0.00 175.17 175.62 3c0d s ILE 63 N -0.98 0.61 -1.62 2.11 1.01 -1.22 -4.76 121.20 116.34 3c0d s ILE 63 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 3c0d s ILE 63 Cb -0.13 -0.83 0.07 0.00 0.01 0.00 0.00 42.46 41.59 3c0d s ILE 63 CO 0.05 0.15 0.30 -0.46 0.00 0.00 0.00 174.94 174.99 3c0d n ASN 64 N 5.06 -0.39 0.00 3.58 6.94 -1.26 -3.70 115.26 125.49 3c0d n ASN 64 Ca -0.09 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 3c0d n ASN 64 Cb 0.49 -1.99 0.00 0.00 -2.36 0.00 0.00 39.78 35.93 3c0d n ASN 64 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3c0d n GLY 65 N -2.00 1.11 2.64 4.83 0.00 -1.26 -5.20 105.19 105.32 3c0d n GLY 65 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3c0d n GLY 65 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3c0d n GLU 66 N 0.00 1.98 -3.69 1.61 -0.00 -1.24 -4.68 120.64 114.61 3c0d n GLU 66 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.19 3c0d n GLU 66 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 31.44 30.48 3c0d n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3c0d s VAL 69 N -2.16 2.81 -0.17 0.00 0.11 0.42 -1.96 120.40 119.45 3c0d s VAL 69 Ca 0.19 -0.74 -0.24 0.00 -2.93 0.00 0.00 61.98 58.25 3c0d s VAL 69 Cb 0.05 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 3c0d s VAL 69 CO -0.04 0.53 0.78 0.00 -3.33 0.00 0.00 175.10 173.03 3c0d s ALA 70 N 0.44 3.51 0.32 1.54 0.00 -0.64 -0.98 121.76 125.94 3c0d s ALA 70 Ca -0.11 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 3c0d s ALA 70 Cb -0.16 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 3c0d s ALA 70 CO 0.05 -0.59 1.47 0.45 0.00 0.00 0.00 175.76 177.14 3c0d n SER 71 N 5.09 3.40 0.00 0.00 2.88 0.47 -3.16 113.62 122.29 3c0d n SER 71 Ca 0.03 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.83 3c0d n SER 71 Cb 0.49 -1.55 0.51 0.00 -0.75 0.00 0.00 64.21 62.92 3c0d n SER 71 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3c0d n PRO 72 N 1.34 0.77 0.00 -1.46 -0.04 -1.26 -2.68 135.00 131.67 3c0d n PRO 72 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3c0d n PRO 72 Cb 0.36 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3c0d n PRO 72 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3c0d n LEU 73 N -0.85 0.00 -1.48 1.53 4.77 -1.26 -4.78 117.00 114.93 3c0d n LEU 73 Ca 0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 3c0d n LEU 73 Cb 0.06 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 3c0d n LEU 73 CO 0.10 0.00 0.75 -1.22 -1.33 0.00 0.00 177.39 175.69 3c0d n TYR 74 N -0.60 1.46 -0.69 -1.77 4.01 -1.26 -4.93 117.16 113.37 3c0d n TYR 74 Ca 0.00 -0.76 -0.02 0.00 -0.16 0.00 0.00 57.90 56.96 3c0d n TYR 74 Cb 0.00 -0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 38.55 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 0.05 -1.83 -1.81 -0.72 4.76 -1.09 -4.96 118.16 112.55 3c0d n LYS 75 Ca 0.24 0.34 -0.37 0.00 -2.87 0.00 0.00 58.31 55.65 3c0d n LYS 75 Cb 0.96 -4.01 0.06 0.00 -1.84 0.00 0.00 35.03 30.20 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 -1.43 2.69 -0.19 1.97 1.11 -1.26 -4.39 119.66 118.15 3c0d s GLN 76 Ca 0.00 2.02 -0.10 0.00 0.01 0.00 0.00 55.36 57.28 3c0d s GLN 76 Cb 0.00 -1.89 -0.05 0.00 -1.01 0.00 0.00 33.01 30.06 3c0d s GLN 76 CO 0.00 -1.48 0.15 -1.01 0.01 0.00 0.00 175.29 172.96 3c0d s HIS 77 N -1.44 3.42 -0.15 0.91 3.76 -1.26 -0.39 115.29 120.14 3c0d s HIS 77 Ca 0.81 0.36 0.01 0.00 -0.15 0.00 0.00 55.06 56.10 3c0d s HIS 77 Cb -0.36 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.17 3c0d s HIS 77 CO 0.38 0.30 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.32 3c0d s PHE 78 N 0.33 2.52 0.09 1.40 0.08 -0.16 0.12 117.98 122.36 3c0d s PHE 78 Ca 0.09 -1.37 -0.31 0.00 0.12 0.00 0.00 56.93 55.47 3c0d s PHE 78 Cb -0.11 -1.76 -0.10 0.00 -0.57 0.00 0.00 43.02 40.48 3c0d s PHE 78 CO -0.01 -0.67 1.89 0.45 -0.10 0.00 0.00 175.22 176.78 3c0d s SER 79 N 1.12 6.43 0.52 1.36 0.15 -0.02 -0.44 113.70 122.83 3c0d s SER 79 Ca -0.01 2.73 0.26 0.00 0.70 0.00 0.00 55.95 59.63 3c0d s SER 79 Cb -0.14 -2.55 1.45 0.00 -1.71 0.00 0.00 66.02 63.07 3c0d s SER 79 CO -0.07 -1.03 2.09 -0.07 1.20 0.00 0.00 173.24 175.36 3c0d h LEU 80 N 9.51 0.00 0.00 3.45 3.38 -1.91 0.39 115.31 130.14 3c0d h LEU 80 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3c0d h LEU 80 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3c0d h LEU 80 CO 0.95 0.11 -0.09 0.50 0.09 0.00 0.00 178.44 179.99 3c0d h LYS 81 N 0.00 0.00 0.05 1.13 1.63 -1.96 -3.42 116.57 114.00 3c0d h LYS 81 Ca -0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 3c0d h LYS 81 Cb 0.29 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 3c0d h LYS 81 CO 0.01 0.29 -1.99 -1.13 -3.45 0.00 0.00 179.45 173.19 3c0d n SER 82 N -4.71 1.36 0.00 4.20 3.41 -1.23 -4.99 113.62 111.66 3c0d n SER 82 Ca -0.04 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3c0d n SER 82 Cb 0.17 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.82 1.25 3.67 5.00 0.00 0.14 -4.72 105.19 112.35 3c0d n GLY 83 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.68 1.98 -3.12 1.61 -0.06 -1.26 -0.67 117.38 114.19 3c0d n GLN 84 Ca 0.00 0.70 -0.39 0.00 -2.00 0.00 0.00 57.00 55.30 3c0d n GLN 84 Cb 0.00 -2.26 -0.06 0.00 -4.06 0.00 0.00 30.24 23.87 3c0d n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3c0d h LEU 86 N 5.31 0.00 -3.30 0.00 3.38 -0.65 -3.34 115.31 116.70 3c0d h LEU 86 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3c0d h LEU 86 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3c0d h LEU 86 CO 0.69 0.64 0.00 -0.62 0.09 0.00 0.00 178.44 179.23 3c0d n GLU 87 N -3.31 3.62 -2.76 1.13 4.71 -1.26 -4.71 120.64 118.06 3c0d n GLU 87 Ca 0.01 -2.88 -0.02 0.00 -0.01 0.00 0.00 57.16 54.26 3c0d n GLU 87 Cb 0.77 -1.93 0.02 0.00 -1.01 0.00 0.00 31.44 29.29 3c0d n GLU 87 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3c0d s ASP 88 N -1.38 -0.69 0.05 1.62 -1.08 -1.25 -5.01 116.67 108.93 3c0d s ASP 88 Ca 0.45 -0.70 0.01 0.00 -0.52 0.00 0.00 52.55 51.80 3c0d s ASP 88 Cb 0.34 0.90 0.08 0.00 -1.46 0.00 0.00 42.92 42.78 3c0d s ASP 88 CO 0.14 -0.04 0.76 -0.62 0.52 0.00 0.00 175.17 175.93 3c0d n GLU 89 N 3.02 0.01 0.13 4.34 1.02 -1.26 -0.67 120.64 127.23 3c0d n GLU 89 Ca 0.12 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.53 3c0d n GLU 89 Cb 0.62 -1.86 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 3c0d n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3c0d h ALA 90 N 0.78 0.64 -2.67 0.62 0.00 -1.95 -3.46 119.26 113.22 3c0d h ALA 90 Ca 0.00 -0.50 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 3c0d h ALA 90 Cb 0.66 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3c0d h ALA 90 CO 0.00 0.69 -0.45 -1.01 0.00 0.00 0.00 179.25 178.49 3c0d s HIS 91 N -2.94 3.61 -0.17 0.00 3.76 0.16 -5.06 115.29 114.65 3c0d s HIS 91 Ca 0.04 0.56 -0.15 0.00 -0.15 0.00 0.00 55.06 55.36 3c0d s HIS 91 Cb 0.08 -1.96 0.04 0.00 1.11 0.00 0.00 32.58 31.85 3c0d s HIS 91 CO 0.75 0.71 0.44 0.00 -0.85 0.00 0.00 174.74 175.79 3c0d s LEU 93 N 0.32 4.31 0.39 0.00 1.43 0.16 -4.94 118.68 120.36 3c0d s LEU 93 Ca -0.01 1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.89 3c0d s LEU 93 Cb -0.03 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 3c0d s LEU 93 CO -0.00 0.08 1.15 -0.75 0.23 0.00 0.00 176.35 177.06 3c0d s LYS 94 N -2.07 4.09 0.21 1.70 2.20 -1.26 -4.52 119.74 120.10 3c0d s LYS 94 Ca 0.39 1.80 0.11 0.00 -0.36 0.00 0.00 55.97 57.92 3c0d s LYS 94 Cb -0.14 -2.69 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 3c0d s LYS 94 CO 0.19 -0.27 -0.22 0.95 -0.36 0.00 0.00 175.35 175.63 3c0d s THR 95 N -1.43 2.33 -0.05 3.43 -4.23 -1.26 -1.06 115.64 113.37 3c0d s THR 95 Ca 0.57 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 3c0d s THR 95 Cb -0.30 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.41 3c0d s THR 95 CO 0.37 -0.21 -0.09 0.26 -0.54 0.00 0.00 174.62 174.41 3c0d s TRP 96 N -1.93 1.11 0.07 3.99 0.51 -1.20 -5.01 118.94 116.49 3c0d s TRP 96 Ca 0.23 -0.35 -0.31 0.00 -2.12 0.00 0.00 56.10 53.55 3c0d s TRP 96 Cb -0.07 -0.84 -0.08 0.00 -0.81 0.00 0.00 33.47 31.68 3c0d s TRP 96 CO 0.11 -0.20 1.51 1.03 -0.51 0.00 0.00 176.95 178.89 3c0d s ARG 97 N 0.60 4.25 0.01 4.98 0.52 -1.26 -4.25 118.95 123.79 3c0d s ARG 97 Ca -0.11 2.17 0.03 0.00 -0.52 0.00 0.00 55.73 57.31 3c0d s ARG 97 Cb -0.13 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 3c0d s ARG 97 CO 0.02 -0.61 -0.10 0.08 0.02 0.00 0.00 175.30 174.71 3c0d s VAL 98 N 2.06 0.78 0.10 3.52 1.01 -1.26 -1.36 120.40 125.24 3c0d s VAL 98 Ca 0.68 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3c0d s VAL 98 Cb -0.37 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3c0d s VAL 98 CO 0.30 0.06 -0.08 0.42 0.00 0.00 0.00 175.10 175.80 3c0d s THR 99 N -0.55 0.79 -0.24 3.92 -4.23 -0.77 -4.80 115.64 109.75 3c0d s THR 99 Ca 0.01 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3c0d s THR 99 Cb -0.05 -1.60 0.07 0.00 1.34 0.00 0.00 72.50 72.26 3c0d s THR 99 CO 0.00 -0.79 0.04 -0.69 -0.54 0.00 0.00 174.62 172.64 3c0d s VAL 100 N -3.29 0.86 0.00 2.29 1.01 -1.26 -0.39 120.40 119.62 3c0d s VAL 100 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3c0d s VAL 100 Cb 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3c0d s VAL 100 CO -0.03 -0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.19 3c0d n ASP 101 N 4.90 0.00 0.00 3.32 8.00 -0.62 -4.87 116.55 127.27 3c0d n ASP 101 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3c0d n ASP 101 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3c0d n ASP 101 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3c0d n ASP 102 N 0.00 0.00 -0.62 -2.24 9.92 -1.26 -4.71 116.55 117.64 3c0d n ASP 102 Ca 0.00 0.02 0.04 0.00 -0.53 0.00 0.00 54.79 54.32 3c0d n ASP 102 Cb 0.00 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.55 3c0d n ASP 102 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3c0d n ASN 103 N -0.19 1.07 -4.60 -2.24 3.02 -1.26 -5.02 115.26 106.04 3c0d n ASN 103 Ca 0.00 -2.56 -0.39 0.00 -0.03 0.00 0.00 54.58 51.60 3c0d n ASN 103 Cb 0.00 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 3c0d n ASN 103 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3c0d s GLN 104 N -1.22 4.00 -0.21 3.52 2.00 -1.26 -0.11 119.66 126.38 3c0d s GLN 104 Ca 0.21 -0.06 -0.12 0.00 -2.00 0.00 0.00 55.36 53.39 3c0d s GLN 104 Cb 0.21 -3.66 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3c0d s GLN 104 CO -0.04 -0.25 0.23 0.08 -0.50 0.00 0.00 175.29 174.81 3c0d s VAL 105 N 1.97 5.33 0.26 1.34 1.01 0.62 -1.59 120.40 129.34 3c0d s VAL 105 Ca 0.13 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.53 3c0d s VAL 105 Cb -0.16 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3c0d s VAL 105 CO 0.10 0.35 -0.04 0.00 0.00 0.00 0.00 175.10 175.51 3c0d s TYR 107 N -3.14 2.39 -0.20 0.00 -0.85 -1.01 -1.85 117.35 112.68 3c0d s TYR 107 Ca 0.29 -0.36 -0.17 0.00 -0.52 0.00 0.00 57.07 56.31 3c0d s TYR 107 Cb 0.04 -1.36 -0.03 0.00 0.38 0.00 0.00 41.96 40.98 3c0d s TYR 107 CO 0.11 0.23 0.47 -0.51 -1.52 0.00 0.00 175.55 174.33 3c0d s LEU 108 N -1.59 4.14 0.00 -3.49 1.43 -0.46 -1.40 118.68 117.31 3c0d s LEU 108 Ca 0.14 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3c0d s LEU 108 Cb -0.10 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.50 3c0d s LEU 108 CO 0.05 -0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.48 3c0d n ALA 109 N 4.70 0.00 -3.00 4.21 0.00 0.35 -4.70 120.51 122.07 3c0d n ALA 109 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3c0d n ALA 109 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3c0d n ALA 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3c0d n LYS 110 N 0.00 2.22 0.00 0.00 5.02 -1.26 -3.39 118.16 120.75 3c0d n LYS 110 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3c0d n LYS 110 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3c0d n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3c0d n GLU 111 N 0.00 0.00 -0.99 1.97 1.02 -1.26 -4.69 120.64 116.69 3c0d n GLU 111 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3c0d n GLU 111 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3c0d n GLU 111 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59