#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 2.58 0.25 -5.08 2.01 -0.87 -4.80 115.64 109.73 3c0d s THR 5 Ca 0.00 0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.30 3c0d s THR 5 Cb 0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 3c0d s THR 5 CO 0.00 -0.25 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.00 3c0d s LYS 6 N -4.95 1.86 -0.10 4.92 1.02 -1.26 -2.18 119.74 119.05 3c0d s LYS 6 Ca 0.64 -1.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 3c0d s LYS 6 Cb -0.18 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 35.25 3c0d s LYS 6 CO 0.57 0.36 0.18 0.08 -0.92 0.00 0.00 175.35 175.62 3c0d s VAL 7 N -2.22 -0.29 0.01 3.17 1.01 -0.97 -4.97 120.40 116.14 3c0d s VAL 7 Ca 0.28 0.31 -0.39 0.00 0.00 0.00 0.00 61.98 62.19 3c0d s VAL 7 Cb -0.06 -0.34 -0.19 0.00 0.00 0.00 0.00 36.38 35.79 3c0d s VAL 7 CO 0.15 0.12 1.21 0.29 0.00 0.00 0.00 175.10 176.88 3c0d n LYS 8 N 5.33 0.49 -0.09 2.72 5.02 -1.26 -2.68 118.16 127.68 3c0d n LYS 8 Ca -0.05 0.18 -0.18 0.00 -2.02 0.00 0.00 58.31 56.24 3c0d n LYS 8 Cb 0.50 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 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 2.10 1.39 -3.76 -0.35 7.94 0.21 -4.86 117.00 119.68 3c0d n LEU 9 Ca 0.20 0.24 -0.00 0.00 -1.11 0.00 0.00 56.01 55.33 3c0d n LEU 9 Cb 0.12 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3c0d n LEU 9 CO 0.63 0.24 0.94 0.00 -1.11 0.00 0.00 177.39 178.09 3c0d s GLN 11 N -2.51 4.20 0.27 0.00 -1.52 -1.26 -1.22 119.66 117.62 3c0d s GLN 11 Ca 0.18 0.29 0.01 0.00 -1.95 0.00 0.00 55.36 53.88 3c0d s GLN 11 Cb 0.01 -3.38 0.63 0.00 -0.22 0.00 0.00 33.01 30.05 3c0d s GLN 11 CO -0.00 0.31 1.69 1.25 -0.25 0.00 0.00 175.29 178.29 3c0d h LEU 12 N 6.25 0.23 0.00 2.90 5.85 -1.26 0.35 115.31 129.63 3c0d h LEU 12 Ca -0.44 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3c0d h LEU 12 Cb 1.18 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3c0d h LEU 12 CO 0.72 -0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.92 3c0d n ASP 13 N -5.08 0.00 0.00 1.25 5.75 -1.26 -0.53 116.55 116.68 3c0d n ASP 13 Ca 0.19 -0.60 0.11 0.00 -0.01 0.00 0.00 54.79 54.48 3c0d n ASP 13 Cb 0.58 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.64 0.59 -1.26 -1.12 8.00 0.12 -5.16 116.55 117.09 3c0d n ASP 14 Ca 0.02 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3c0d n ASP 14 Cb 0.01 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 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 -1.84 0.00 -4.63 0.64 4.77 0.31 -5.05 117.00 111.20 3c0d n LEU 15 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3c0d n LEU 15 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3c0d n LEU 15 CO 0.43 -0.30 -0.21 -2.84 -1.33 0.00 0.00 177.39 173.14 3c0d s PRO 17 N -0.10 3.99 0.00 3.23 0.02 -1.26 -4.98 135.00 135.90 3c0d s PRO 17 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 61.00 60.70 3c0d s PRO 17 Cb 0.00 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3c0d s PRO 17 CO 0.00 0.11 0.00 1.19 -0.33 0.00 0.00 177.00 177.97 3c0d n PHE 18 N 4.08 0.00 -3.48 6.54 3.72 -0.22 -4.97 117.46 123.13 3c0d n PHE 18 Ca -0.16 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.85 3c0d n PHE 18 Cb 0.52 -0.57 -0.10 0.00 -0.94 0.00 0.00 39.48 38.39 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 -2.06 5.24 0.30 4.37 -1.09 -1.26 -4.65 121.20 122.05 3c0d s ILE 19 Ca 0.00 0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 3c0d s ILE 19 Cb 0.00 -3.69 -0.13 0.00 -1.58 0.00 0.00 42.46 37.06 3c0d s ILE 19 CO 0.00 0.07 1.38 0.61 -1.23 0.00 0.00 174.94 175.77 3c0d n GLY 20 N 4.98 0.78 3.07 6.18 0.00 -1.17 -4.75 105.19 114.27 3c0d n GLY 20 Ca -0.11 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.59 1.55 0.30 4.61 0.00 -0.41 -4.82 121.76 122.40 3c0d s ALA 21 Ca 0.61 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 3c0d s ALA 21 Cb -0.58 -0.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 3c0d s ALA 21 CO 0.56 0.10 0.75 0.95 0.00 0.00 0.00 175.76 178.12 3c0d s THR 22 N 0.69 4.61 0.20 0.00 -4.23 -1.26 0.22 115.64 115.88 3c0d s THR 22 Ca -0.13 1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 61.36 3c0d s THR 22 Cb -0.16 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3c0d s THR 22 CO 0.03 -0.07 0.41 0.68 -0.54 0.00 0.00 174.62 175.13 3c0d s VAL 23 N -1.85 0.03 -0.25 2.29 -7.23 -0.38 -4.91 120.40 108.09 3c0d s VAL 23 Ca 0.51 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 3c0d s VAL 23 Cb -0.12 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.90 3c0d s VAL 23 CO 0.18 -0.13 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.04 3c0d s LEU 24 N -2.97 3.24 -0.73 1.32 1.02 -1.26 -1.29 118.68 118.01 3c0d s LEU 24 Ca 0.18 -0.81 -0.05 0.00 0.02 0.00 0.00 54.13 53.47 3c0d s LEU 24 Cb 0.01 -1.70 0.19 0.00 0.02 0.00 0.00 46.19 44.71 3c0d s LEU 24 CO 0.03 -0.13 0.59 -0.63 0.02 0.00 0.00 176.35 176.23 3c0d s ILE 25 N 1.36 4.24 -0.82 -0.59 1.01 -0.68 -4.70 121.20 121.02 3c0d s ILE 25 Ca 0.01 -3.08 -0.02 0.00 0.00 0.00 0.00 60.65 57.55 3c0d s ILE 25 Cb -0.16 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3c0d s ILE 25 CO -0.04 -0.96 0.74 -0.62 0.00 0.00 0.00 174.94 174.07 3c0d n GLU 26 N 3.30 -1.61 -0.65 2.79 -0.58 -1.26 -2.83 120.64 119.81 3c0d n GLU 26 Ca 0.12 1.18 0.00 0.00 -0.42 0.00 0.00 57.16 58.04 3c0d n GLU 26 Cb 0.39 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.73 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 -1.52 0.00 3.79 0.62 0.00 -1.26 -4.94 105.19 101.88 3c0d n GLY 27 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3c0d n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c0d s GLU 28 N -1.29 3.66 -0.71 1.61 2.12 -1.13 -5.03 118.70 117.93 3c0d s GLU 28 Ca 0.00 -0.20 -0.27 0.00 0.36 0.00 0.00 54.97 54.86 3c0d s GLU 28 Cb 0.00 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.19 3c0d s GLU 28 CO 0.00 0.59 1.47 1.03 -0.54 0.00 0.00 175.26 177.81 3c0d s ARG 29 N -0.49 3.02 0.13 4.30 1.81 -1.26 -1.69 118.95 124.76 3c0d s ARG 29 Ca 0.12 0.01 0.03 0.00 -1.72 0.00 0.00 55.73 54.16 3c0d s ARG 29 Cb -0.12 -4.27 -0.04 0.00 -0.45 0.00 0.00 34.95 30.08 3c0d s ARG 29 CO 0.02 -2.34 0.20 0.08 -0.68 0.00 0.00 175.30 172.58 3c0d s VAL 30 N 6.80 5.01 -0.26 3.52 1.01 -0.41 -0.23 120.40 135.84 3c0d s VAL 30 Ca 0.45 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3c0d s VAL 30 Cb -0.09 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.83 3c0d s VAL 30 CO 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 175.10 175.20 3c0d s ALA 31 N -1.66 2.20 0.30 5.51 0.00 0.24 -1.25 121.76 127.10 3c0d s ALA 31 Ca 0.33 -1.64 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 3c0d s ALA 31 Cb -0.11 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.36 3c0d s ALA 31 CO 0.26 -1.30 0.84 -0.51 0.00 0.00 0.00 175.76 175.05 3c0d s LEU 32 N 1.27 4.27 -0.03 0.00 1.43 0.13 -1.66 118.68 124.10 3c0d s LEU 32 Ca -0.03 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.67 3c0d s LEU 32 Cb -0.19 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.15 3c0d s LEU 32 CO -0.08 -0.07 0.04 -0.36 0.23 0.00 0.00 176.35 176.11 3c0d s PHE 33 N -1.68 0.10 -0.32 0.29 0.08 0.46 -1.29 117.98 115.62 3c0d s PHE 33 Ca 0.49 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.64 3c0d s PHE 33 Cb -0.16 -0.36 0.04 0.00 -0.57 0.00 0.00 43.02 41.97 3c0d s PHE 33 CO 0.21 -0.14 0.06 -0.47 -0.10 0.00 0.00 175.22 174.78 3c0d s TYR 34 N 1.46 3.24 -0.49 0.36 5.04 -1.26 -0.27 117.35 125.41 3c0d s TYR 34 Ca -0.04 -1.54 -0.13 0.00 -2.44 0.00 0.00 57.07 52.93 3c0d s TYR 34 Cb -0.13 -2.20 0.11 0.00 0.35 0.00 0.00 41.96 40.09 3c0d s TYR 34 CO -0.03 -0.74 0.40 0.42 -1.34 0.00 0.00 175.55 174.26 3c0d s ILE 35 N 1.36 4.71 0.34 3.14 1.09 0.38 -1.06 121.20 131.16 3c0d s ILE 35 Ca -0.02 -1.56 0.27 0.00 -1.10 0.00 0.00 60.65 58.24 3c0d s ILE 35 Cb -0.19 -4.01 0.40 0.00 -1.06 0.00 0.00 42.46 37.60 3c0d s ILE 35 CO 0.01 -0.76 0.91 -2.65 -0.10 0.00 0.00 174.94 172.34 3c0d n PRO 36 N 5.07 0.00 0.00 2.79 -0.02 -1.26 -0.91 135.00 140.67 3c0d n PRO 36 Ca -0.11 0.65 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3c0d n PRO 36 Cb 0.41 -1.52 -0.01 0.00 -0.02 0.00 0.00 33.50 32.36 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 -3.00 0.61 -0.05 2.55 3.85 -1.26 -4.70 116.55 114.55 3c0d n ASP 37 Ca 0.24 -0.81 -0.05 0.00 -0.71 0.00 0.00 54.79 53.46 3c0d n ASP 37 Cb 1.16 0.68 -0.07 0.00 -1.35 0.00 0.00 41.12 41.54 3c0d n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3c0d n SER 38 N -0.65 2.84 0.00 -1.12 7.64 -0.22 -5.14 113.62 116.96 3c0d n SER 38 Ca 0.02 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3c0d n SER 38 Cb 0.09 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 2.56 0.75 3.26 0.23 0.00 -0.09 -5.02 105.19 106.87 3c0d n GLY 39 Ca -0.16 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 3c0d n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c0d s VAL 40 N -1.38 2.78 0.11 1.61 0.11 -1.26 -0.47 120.40 121.90 3c0d s VAL 40 Ca 0.00 -0.71 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 3c0d s VAL 40 Cb 0.00 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 3c0d s VAL 40 CO 0.00 0.49 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.90 3c0d s TYR 41 N 1.06 2.82 -0.06 1.54 2.02 0.62 -4.55 117.35 120.80 3c0d s TYR 41 Ca -0.01 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3c0d s TYR 41 Cb -0.15 -1.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 3c0d s TYR 41 CO -0.03 0.46 -0.14 0.00 -1.57 0.00 0.00 175.55 174.26 3c0d s ALA 42 N -1.33 1.36 0.07 3.71 0.00 -1.26 -0.41 121.76 123.90 3c0d s ALA 42 Ca 0.24 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3c0d s ALA 42 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3c0d s ALA 42 CO 0.16 0.18 -0.11 0.14 0.00 0.00 0.00 175.76 176.13 3c0d s VAL 43 N 0.39 0.92 0.25 0.00 -7.23 -0.67 -3.21 120.40 110.85 3c0d s VAL 43 Ca -0.10 -1.35 -0.31 0.00 -1.81 0.00 0.00 61.98 58.41 3c0d s VAL 43 Cb -0.14 -1.04 -0.13 0.00 0.56 0.00 0.00 36.38 35.63 3c0d s VAL 43 CO 0.03 -0.37 1.54 0.00 -0.31 0.00 0.00 175.10 175.99 3c0d n GLN 44 N 1.10 2.41 0.23 4.82 10.64 -0.89 0.82 117.38 136.52 3c0d n GLN 44 Ca -0.20 0.86 0.12 0.00 -1.83 0.00 0.00 57.00 55.95 3c0d n GLN 44 Cb 0.55 -2.60 0.45 0.00 -0.86 0.00 0.00 30.24 27.78 3c0d n GLN 44 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 3c0d h ASP 45 N 4.87 0.00 -3.00 2.61 3.58 -0.85 -3.43 116.42 120.19 3c0d h ASP 45 Ca -0.46 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.45 3c0d h ASP 45 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 3c0d h ASP 45 CO 0.80 0.14 0.76 0.86 -2.88 0.00 0.00 179.24 178.92 3c0d s TRP 46 N -3.53 3.04 -0.63 0.28 -0.11 -1.26 -1.41 118.94 115.32 3c0d s TRP 46 Ca 0.02 1.00 -0.24 0.00 1.22 0.00 0.00 56.10 58.11 3c0d s TRP 46 Cb 0.09 -3.56 0.06 0.00 -1.50 0.00 0.00 33.47 28.55 3c0d s TRP 46 CO 0.62 -1.95 0.99 0.34 -4.62 0.00 0.00 176.95 172.33 3c0d s ASP 47 N 1.63 6.22 0.38 5.86 2.15 -0.14 -4.92 116.67 127.84 3c0d s ASP 47 Ca 0.61 -0.73 0.17 0.00 0.43 0.00 0.00 52.55 53.03 3c0d s ASP 47 Cb -0.29 -2.44 0.94 0.00 -0.30 0.00 0.00 42.92 40.83 3c0d s ASP 47 CO 0.25 -1.42 1.46 1.55 -0.17 0.00 0.00 175.17 176.85 3c0d h PRO 48 N 9.54 0.00 0.00 4.34 0.13 -1.93 1.14 132.00 145.22 3c0d h PRO 48 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.58 3c0d h PRO 48 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 3c0d h PRO 48 CO 1.16 0.00 -1.83 -0.89 -0.23 0.00 0.00 178.00 176.22 3c0d n ILE 49 N -2.22 1.27 0.22 -3.56 5.41 -1.26 -4.52 119.36 114.70 3c0d n ILE 49 Ca -0.01 -0.17 0.08 0.00 1.00 0.00 0.00 62.75 63.65 3c0d n ILE 49 Cb 0.28 -1.91 0.48 0.00 -0.71 0.00 0.00 39.64 37.79 3c0d n ILE 49 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3c0d h GLY 50 N -0.79 0.00 -4.45 7.39 0.00 -1.92 -3.48 103.07 99.83 3c0d h GLY 50 Ca -0.40 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 3c0d h GLY 50 CO -0.24 0.00 -0.52 0.28 0.00 0.00 0.00 176.54 176.06 3c0d n LYS 51 N -3.63 -1.87 -3.60 4.80 4.76 0.39 -5.02 118.16 113.99 3c0d n LYS 51 Ca -0.01 0.53 -0.06 0.00 -2.87 0.00 0.00 58.31 55.90 3c0d n LYS 51 Cb 0.39 -4.23 -0.04 0.00 -1.84 0.00 0.00 35.03 29.31 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 -2.02 -0.46 7.82 0.00 -1.23 -4.95 121.76 117.67 3c0d s ALA 52 Ca 0.23 1.69 -0.28 0.00 0.00 0.00 0.00 51.96 53.60 3c0d s ALA 52 Cb -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3c0d s ALA 52 CO 0.45 -0.34 1.64 0.71 0.00 0.00 0.00 175.76 178.22 3c0d s TYR 53 N -1.36 2.01 -0.46 0.00 2.02 -1.26 -0.97 117.35 117.32 3c0d s TYR 53 Ca 0.04 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.45 3c0d s TYR 53 Cb -0.01 -4.22 0.24 0.00 -0.40 0.00 0.00 41.96 37.58 3c0d s TYR 53 CO -0.03 -2.39 0.79 1.55 -1.57 0.00 0.00 175.55 173.90 3c0d n VAL 54 N 7.18 -0.19 0.00 0.71 3.14 -0.50 -4.96 118.33 123.71 3c0d n VAL 54 Ca 0.19 -2.17 0.00 0.00 -2.96 0.00 0.00 64.34 59.40 3c0d n VAL 54 Cb 0.49 0.57 0.00 0.00 -1.06 0.00 0.00 33.84 33.84 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 1.60 0.00 -0.35 6.55 3.41 -1.26 -3.68 113.62 119.88 3c0d n SER 56 Ca 0.12 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 3c0d n SER 56 Cb 0.60 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.96 -2.60 4.33 5.12 -1.26 -3.05 116.66 120.16 3c0d n ARG 57 Ca 0.00 -0.71 -0.39 0.00 -1.93 0.00 0.00 57.85 54.82 3c0d n ARG 57 Cb 0.00 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 29.76 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 -2.53 2.99 0.21 -0.13 0.00 -1.24 -4.83 107.32 101.80 3c0d s GLY 58 Ca 0.20 0.74 -0.32 0.00 0.00 0.00 0.00 44.72 45.34 3c0d s GLY 58 CO 0.57 1.28 1.72 -0.42 0.00 0.00 0.00 173.10 176.25 3c0d s ILE 59 N -1.31 2.03 0.14 0.90 -1.09 -1.24 -4.65 121.20 115.98 3c0d s ILE 59 Ca 0.46 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.94 3c0d s ILE 59 Cb -0.27 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 3c0d s ILE 59 CO 0.34 0.00 0.16 0.68 -1.23 0.00 0.00 174.94 174.90 3c0d s VAL 60 N 1.18 4.72 0.02 2.92 -7.23 -1.26 -1.12 120.40 119.63 3c0d s VAL 60 Ca 0.75 -0.91 -0.27 0.00 -1.81 0.00 0.00 61.98 59.73 3c0d s VAL 60 Cb -0.50 -3.39 0.09 0.00 0.56 0.00 0.00 36.38 33.14 3c0d s VAL 60 CO 0.32 -0.06 1.24 -0.83 -0.31 0.00 0.00 175.10 175.46 3c0d s GLY 61 N -2.99 -0.06 0.39 2.32 0.00 0.12 -4.98 107.32 102.12 3c0d s GLY 61 Ca 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.95 3c0d s GLY 61 CO 0.24 5.23 0.63 0.99 0.00 0.00 0.00 173.10 180.19 3c0d s ASP 62 N -3.76 6.29 0.00 1.64 -0.00 -1.26 0.63 116.67 120.20 3c0d s ASP 62 Ca 0.29 0.63 0.00 0.00 -0.00 0.00 0.00 52.55 53.46 3c0d s ASP 62 Cb -0.01 -2.11 0.00 0.00 -0.00 0.00 0.00 42.92 40.80 3c0d s ASP 62 CO 0.01 -0.39 0.00 -0.38 -0.00 0.00 0.00 175.17 174.41 3c0d n ILE 63 N -1.93 0.00 -2.03 0.77 2.08 -0.60 -4.88 119.36 112.77 3c0d n ILE 63 Ca -0.03 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.93 3c0d n ILE 63 Cb 0.56 -0.10 0.03 0.00 -0.75 0.00 0.00 39.64 39.38 3c0d n ILE 63 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3c0d n ASN 64 N -1.61 6.59 0.00 4.38 5.15 -1.26 -4.70 115.26 123.82 3c0d n ASN 64 Ca 0.00 -3.80 0.00 0.00 -0.60 0.00 0.00 54.58 50.18 3c0d n ASN 64 Cb 0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 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 -0.57 2.13 0.00 8.20 0.00 -1.26 -5.21 105.19 108.48 3c0d n GLY 65 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 3.39 0.00 1.61 2.13 -1.26 -4.97 120.64 119.54 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 -2.00 2.18 -0.05 0.00 0.11 -0.23 0.14 120.40 120.55 3c0d s VAL 69 Ca 0.00 -1.01 -0.17 0.00 -2.93 0.00 0.00 61.98 57.88 3c0d s VAL 69 Cb 0.00 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 3c0d s VAL 69 CO 0.00 0.56 0.46 0.00 -3.33 0.00 0.00 175.10 172.79 3c0d s ALA 70 N 0.01 3.57 0.12 1.54 0.00 -0.28 -1.77 121.76 124.96 3c0d s ALA 70 Ca -0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 3c0d s ALA 70 Cb -0.15 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 3c0d s ALA 70 CO 0.05 0.22 1.37 0.45 0.00 0.00 0.00 175.76 177.86 3c0d s SER 71 N -0.20 6.84 0.00 0.00 0.15 -0.66 -3.65 113.70 116.18 3c0d s SER 71 Ca 0.25 2.33 0.12 0.00 0.70 0.00 0.00 55.95 59.34 3c0d s SER 71 Cb -0.16 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.09 3c0d s SER 71 CO 0.12 -0.63 1.33 -0.81 1.20 0.00 0.00 173.24 174.45 3c0d n PRO 72 N 3.78 0.07 0.00 5.44 -0.04 -1.26 -1.89 135.00 141.10 3c0d n PRO 72 Ca 0.11 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3c0d n PRO 72 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.42 2.10 -1.88 1.53 4.77 -1.26 -4.69 117.00 116.16 3c0d n LEU 73 Ca 0.04 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 3c0d n LEU 73 Cb 0.12 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.40 3c0d n LEU 73 CO 0.10 0.00 1.09 -1.22 -1.33 0.00 0.00 177.39 176.03 3c0d n TYR 74 N -0.67 2.41 -0.81 -1.77 4.01 -1.25 -4.97 117.16 114.09 3c0d n TYR 74 Ca 0.00 -1.75 -0.04 0.00 -0.16 0.00 0.00 57.90 55.95 3c0d n TYR 74 Cb 0.00 -0.79 -0.02 0.00 -0.31 0.00 0.00 39.34 38.22 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 -1.11 -1.60 -2.14 -0.72 4.76 -0.79 -4.95 118.16 111.61 3c0d n LYS 75 Ca 0.51 0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.96 3c0d n LYS 75 Cb 1.46 -4.07 0.01 0.00 -1.84 0.00 0.00 35.03 30.59 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 -1.74 3.34 -0.14 1.97 1.11 -1.26 -4.58 119.66 118.37 3c0d s GLN 76 Ca 0.00 1.34 -0.06 0.00 0.01 0.00 0.00 55.36 56.64 3c0d s GLN 76 Cb 0.00 -2.03 -0.04 0.00 -1.01 0.00 0.00 33.01 29.93 3c0d s GLN 76 CO 0.00 -0.81 0.10 -1.01 0.01 0.00 0.00 175.29 173.58 3c0d s HIS 77 N -2.22 3.41 -0.10 0.91 3.76 -1.26 -1.65 115.29 118.15 3c0d s HIS 77 Ca 0.66 0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.94 3c0d s HIS 77 Cb -0.18 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.55 3c0d s HIS 77 CO 0.32 0.50 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.47 3c0d s PHE 78 N -0.51 2.14 -0.56 1.40 0.40 -0.73 0.37 117.98 120.49 3c0d s PHE 78 Ca 0.11 -0.92 -0.27 0.00 -0.60 0.00 0.00 56.93 55.25 3c0d s PHE 78 Cb -0.12 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3c0d s PHE 78 CO 0.02 -0.42 1.66 0.45 0.70 0.00 0.00 175.22 177.63 3c0d s SER 79 N 0.64 5.71 0.00 1.36 0.15 0.10 -1.07 113.70 120.59 3c0d s SER 79 Ca -0.13 0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3c0d s SER 79 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3c0d s SER 79 CO 0.04 -2.02 0.48 0.00 1.20 0.00 0.00 173.24 172.94 3c0d n LEU 80 N 11.07 1.42 0.00 3.45 -0.00 -1.26 0.16 117.00 131.84 3c0d n LEU 80 Ca 0.17 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.47 3c0d n LEU 80 Cb 0.50 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 3c0d n LEU 80 CO 0.71 0.24 -0.47 1.17 -0.00 0.00 0.00 177.39 179.04 3c0d n LYS 81 N 0.70 0.58 -0.00 1.47 4.81 -1.26 -4.72 118.16 119.74 3c0d n LYS 81 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 3c0d n LYS 81 Cb 0.24 -0.97 -0.02 0.00 0.02 0.00 0.00 35.03 34.30 3c0d n LYS 81 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3c0d n SER 82 N -2.35 2.24 0.00 3.14 3.41 -0.85 -5.00 113.62 114.21 3c0d n SER 82 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3c0d n SER 82 Cb 0.47 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 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 1.71 3.02 3.55 5.00 0.00 0.42 -4.77 105.19 114.12 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 -1.62 1.00 -3.03 1.61 -0.06 -1.26 -1.05 117.38 112.97 3c0d n GLN 84 Ca 0.00 0.36 -0.43 0.00 -2.00 0.00 0.00 57.00 54.93 3c0d n GLN 84 Cb 0.00 -1.84 -0.06 0.00 -4.06 0.00 0.00 30.24 24.28 3c0d n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3c0d s LEU 86 N 3.11 3.55 0.00 0.00 1.02 0.16 -2.95 118.68 123.56 3c0d s LEU 86 Ca 0.24 -2.12 0.00 0.00 0.02 0.00 0.00 54.13 52.27 3c0d s LEU 86 Cb -0.14 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.48 3c0d s LEU 86 CO 0.19 -1.86 0.00 1.21 0.02 0.00 0.00 176.35 175.91 3c0d n GLU 87 N 8.38 0.00 -4.39 1.70 0.00 -1.26 -4.08 120.64 120.99 3c0d n GLU 87 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 57.28 3c0d n GLU 87 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.81 3c0d n GLU 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3c0d s ASP 88 N 0.00 5.18 0.15 4.31 -1.08 -1.15 -5.02 116.67 119.05 3c0d s ASP 88 Ca 0.00 0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.18 3c0d s ASP 88 Cb 0.00 -1.46 -0.07 0.00 -1.46 0.00 0.00 42.92 39.93 3c0d s ASP 88 CO 0.00 0.37 1.34 -0.08 0.52 0.00 0.00 175.17 177.31 3c0d h GLU 89 N 5.24 0.16 -0.00 4.34 4.81 -2.00 -3.34 114.58 123.80 3c0d h GLU 89 Ca -0.50 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 3c0d h GLU 89 Cb 1.19 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3c0d h GLU 89 CO 0.55 0.98 -0.01 0.00 -0.73 0.00 0.00 179.01 179.80 3c0d n ALA 90 N -2.45 2.66 -2.74 2.92 0.00 -1.26 -4.86 120.51 114.78 3c0d n ALA 90 Ca -0.04 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 3c0d n ALA 90 Cb 0.85 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.08 2.62 -0.08 0.00 3.76 -1.25 -5.07 115.29 113.19 3c0d s HIS 91 Ca 0.44 -0.52 -0.07 0.00 -0.15 0.00 0.00 55.06 54.76 3c0d s HIS 91 Cb 0.22 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 32.26 3c0d s HIS 91 CO 0.38 -0.08 0.21 0.00 -0.85 0.00 0.00 174.74 174.40 3c0d s LEU 93 N 0.14 4.41 0.56 0.00 1.43 -0.21 -4.94 118.68 120.07 3c0d s LEU 93 Ca -0.00 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 53.87 3c0d s LEU 93 Cb -0.02 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3c0d s LEU 93 CO 0.00 0.18 1.30 -0.75 0.23 0.00 0.00 176.35 177.31 3c0d s LYS 94 N -0.40 3.09 0.01 1.70 2.20 -1.26 -4.40 119.74 120.68 3c0d s LYS 94 Ca 0.26 2.09 0.01 0.00 -0.36 0.00 0.00 55.97 57.97 3c0d s LYS 94 Cb -0.17 -2.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 3c0d s LYS 94 CO 0.14 -1.18 -0.05 0.95 -0.36 0.00 0.00 175.35 174.85 3c0d s THR 95 N -1.39 0.36 -0.09 3.43 -4.23 -1.26 -2.09 115.64 110.36 3c0d s THR 95 Ca 0.73 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 3c0d s THR 95 Cb -0.37 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.11 3c0d s THR 95 CO 0.42 -0.03 -0.12 0.26 -0.54 0.00 0.00 174.62 174.61 3c0d s TRP 96 N -0.41 2.80 0.08 3.99 0.51 -1.20 -5.05 118.94 119.66 3c0d s TRP 96 Ca -0.02 -0.36 -0.30 0.00 -2.12 0.00 0.00 56.10 53.30 3c0d s TRP 96 Cb -0.04 -1.76 -0.06 0.00 -0.81 0.00 0.00 33.47 30.81 3c0d s TRP 96 CO -0.00 0.01 1.15 0.50 -0.51 0.00 0.00 176.95 178.10 3c0d s ARG 97 N -0.18 4.49 -0.09 4.98 3.52 -1.26 -4.21 118.95 126.19 3c0d s ARG 97 Ca 0.00 1.71 0.01 0.00 -0.13 0.00 0.00 55.73 57.33 3c0d s ARG 97 Cb -0.13 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 3c0d s ARG 97 CO 0.03 -0.15 -0.10 0.08 -0.81 0.00 0.00 175.30 174.36 3c0d s VAL 98 N 0.72 1.06 0.25 7.11 1.01 -1.26 -3.14 120.40 126.16 3c0d s VAL 98 Ca 0.55 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.26 3c0d s VAL 98 Cb -0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3c0d s VAL 98 CO 0.31 0.36 -0.02 0.42 0.00 0.00 0.00 175.10 176.16 3c0d s THR 99 N 1.21 3.39 -0.00 3.92 -4.23 -1.05 -4.69 115.64 114.19 3c0d s THR 99 Ca -0.04 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 3c0d s THR 99 Cb -0.14 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 3c0d s THR 99 CO -0.03 -0.34 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.80 3c0d s VAL 100 N -2.25 1.76 0.00 2.29 1.01 -1.26 -2.79 120.40 119.16 3c0d s VAL 100 Ca 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3c0d s VAL 100 Cb -0.07 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3c0d s VAL 100 CO 0.19 0.44 0.00 0.47 0.00 0.00 0.00 175.10 176.20 3c0d n ASP 101 N 2.38 0.00 0.00 3.32 10.43 -0.83 -4.99 116.55 126.86 3c0d n ASP 101 Ca -0.16 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.20 3c0d n ASP 101 Cb 0.52 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.48 3c0d n ASP 101 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3c0d n ASP 102 N 0.00 0.00 -0.82 -2.24 -0.08 -1.26 -4.55 116.55 107.60 3c0d n ASP 102 Ca 0.00 0.24 0.02 0.00 -1.51 0.00 0.00 54.79 53.54 3c0d n ASP 102 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 3c0d n ASP 102 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3c0d n ASN 103 N -0.24 0.58 -4.56 1.67 6.94 -1.26 -5.04 115.26 113.35 3c0d n ASN 103 Ca 0.00 -2.15 -0.40 0.00 -0.02 0.00 0.00 54.58 52.01 3c0d n ASN 103 Cb 0.00 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 37.06 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 -0.33 3.72 -0.18 -3.83 2.00 -1.26 -0.69 119.66 119.08 3c0d s GLN 104 Ca 0.16 -0.34 -0.09 0.00 -2.00 0.00 0.00 55.36 53.09 3c0d s GLN 104 Cb 0.17 -3.75 -0.05 0.00 0.80 0.00 0.00 33.01 30.18 3c0d s GLN 104 CO -0.06 -0.40 0.12 0.08 -0.50 0.00 0.00 175.29 174.54 3c0d s VAL 105 N 1.94 5.36 0.15 1.34 1.01 -0.36 -1.96 120.40 127.88 3c0d s VAL 105 Ca 0.11 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 3c0d s VAL 105 Cb -0.16 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.83 3c0d s VAL 105 CO 0.11 0.48 0.45 0.00 0.00 0.00 0.00 175.10 176.14 3c0d s TYR 107 N -3.81 2.76 0.11 0.00 -0.85 -1.09 -2.54 117.35 111.92 3c0d s TYR 107 Ca 0.04 -0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.16 3c0d s TYR 107 Cb 0.01 -1.50 -0.06 0.00 0.38 0.00 0.00 41.96 40.78 3c0d s TYR 107 CO -0.10 0.43 0.48 -0.51 -1.52 0.00 0.00 175.55 174.33 3c0d s LEU 108 N -3.81 4.34 0.00 -3.49 1.43 -1.19 -2.30 118.68 113.67 3c0d s LEU 108 Ca 0.36 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 3c0d s LEU 108 Cb -0.04 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.04 3c0d s LEU 108 CO 0.22 0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.94