#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0j s GLN 2 N 0.00 2.83 0.14 2.12 -0.21 0.56 -4.91 119.66 120.19 3a0j s GLN 2 Ca 0.00 -0.70 0.07 0.00 0.02 0.00 0.00 55.36 54.75 3a0j s GLN 2 Cb 0.00 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3a0j s GLN 2 CO 0.00 -0.44 -0.15 -1.59 -2.12 0.00 0.00 175.29 170.99 3a0j s LYS 3 N -4.60 1.12 0.09 2.91 -2.85 -1.26 -2.12 119.74 113.03 3a0j s LYS 3 Ca 0.52 -1.32 -0.08 0.00 -1.00 0.00 0.00 55.97 54.09 3a0j s LYS 3 Cb -0.10 -1.04 0.03 0.00 -2.06 0.00 0.00 37.83 34.65 3a0j s LYS 3 CO 0.37 0.20 0.38 0.41 0.10 0.00 0.00 175.35 176.81 3a0j n GLY 4 N 0.38 1.17 3.06 0.59 0.00 -0.26 -4.70 105.19 105.43 3a0j n GLY 4 Ca -0.14 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 3a0j n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a0j s ARG 5 N -2.02 1.84 0.09 1.61 3.52 -0.21 -0.86 118.95 122.91 3a0j s ARG 5 Ca 0.08 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.89 3a0j s ARG 5 Cb -0.01 -1.51 -0.08 0.00 -1.56 0.00 0.00 34.95 31.79 3a0j s ARG 5 CO 0.03 0.07 1.48 0.08 -0.81 0.00 0.00 175.30 176.15 3a0j s VAL 6 N 0.54 3.23 -0.00 7.11 1.01 0.22 -0.40 120.40 132.11 3a0j s VAL 6 Ca -0.14 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 3a0j s VAL 6 Cb -0.15 -3.51 -0.33 0.00 0.00 0.00 0.00 36.38 32.39 3a0j s VAL 6 CO 0.04 0.03 0.86 0.11 0.00 0.00 0.00 175.10 176.14 3a0j h LYS 7 N 7.39 0.47 -2.08 2.72 1.57 -1.32 0.18 116.57 125.51 3a0j h LYS 7 Ca -0.41 -0.81 0.11 0.00 -1.87 0.00 0.00 60.65 57.67 3a0j h LYS 7 Cb 1.20 0.30 -0.17 0.00 0.08 0.00 0.00 32.23 33.64 3a0j h LYS 7 CO 0.90 1.38 0.52 1.67 -0.57 0.00 0.00 179.45 183.35 3a0j s TRP 8 N -2.59 -0.34 -0.15 -1.35 1.48 -1.23 -4.67 118.94 110.08 3a0j s TRP 8 Ca -0.12 0.30 -0.04 0.00 -1.06 0.00 0.00 56.10 55.18 3a0j s TRP 8 Cb 0.05 0.52 0.07 0.00 -1.16 0.00 0.00 33.47 32.95 3a0j s TRP 8 CO 0.91 -0.48 0.24 0.12 -4.06 0.00 0.00 176.95 173.67 3a0j s PHE 9 N -2.65 -0.36 -0.83 1.66 2.19 -1.26 -1.85 117.98 114.87 3a0j s PHE 9 Ca 0.04 0.70 -0.25 0.00 0.33 0.00 0.00 56.93 57.75 3a0j s PHE 9 Cb -0.01 -0.16 0.04 0.00 -1.31 0.00 0.00 43.02 41.59 3a0j s PHE 9 CO -0.06 -0.42 1.30 1.21 1.83 0.00 0.00 175.22 179.07 3a0j s ASN 10 N 2.38 6.29 0.36 6.13 3.84 0.23 -4.88 114.94 129.29 3a0j s ASN 10 Ca 0.04 -0.89 0.05 0.00 0.21 0.00 0.00 52.86 52.26 3a0j s ASN 10 Cb -0.13 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.74 3a0j s ASN 10 CO -0.09 -1.66 1.98 0.00 -2.79 0.00 0.00 177.10 174.54 3a0j h ALA 11 N 9.86 1.65 -0.30 1.71 0.00 -1.90 0.20 119.26 130.49 3a0j h ALA 11 Ca -0.11 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3a0j h ALA 11 Cb 1.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3a0j h ALA 11 CO 1.31 0.26 -0.40 1.49 0.00 0.00 0.00 179.25 181.91 3a0j h GLU 12 N 0.78 0.80 -0.01 0.00 4.57 -1.95 -3.10 114.58 115.67 3a0j h GLU 12 Ca 0.28 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3a0j h GLU 12 Cb 0.12 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3a0j h GLU 12 CO -0.08 1.09 -0.36 1.63 -1.18 0.00 0.00 179.01 180.11 3a0j n LYS 13 N -4.14 0.63 -2.21 1.92 5.02 -1.04 -4.98 118.16 113.36 3a0j n LYS 13 Ca -0.04 -0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 55.77 3a0j n LYS 13 Cb 0.55 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3a0j n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a0j n GLY 14 N 1.39 0.00 3.35 0.72 0.00 0.67 -4.96 105.19 106.36 3a0j n GLY 14 Ca 0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3a0j n GLY 14 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a0j s TYR 15 N -2.49 -0.31 0.00 1.61 -0.85 -1.13 -0.22 117.35 113.96 3a0j s TYR 15 Ca 0.01 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 3a0j s TYR 15 Cb -0.01 0.35 0.00 0.00 0.38 0.00 0.00 41.96 42.69 3a0j s TYR 15 CO 0.01 -0.75 0.00 0.41 -1.52 0.00 0.00 175.55 173.71 3a0j n GLY 16 N -0.27 2.80 3.03 5.49 0.00 0.47 -0.60 105.19 116.10 3a0j n GLY 16 Ca -0.16 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 3a0j n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a0j s PHE 17 N -5.04 0.59 -0.12 1.61 0.40 -0.77 -1.22 117.98 113.43 3a0j s PHE 17 Ca 0.00 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 3a0j s PHE 17 Cb 0.00 -0.36 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 3a0j s PHE 17 CO 0.00 -0.07 -0.09 0.42 0.70 0.00 0.00 175.22 176.18 3a0j s ILE 18 N -1.07 3.45 0.00 0.64 1.01 -0.11 -0.83 121.20 124.29 3a0j s ILE 18 Ca -0.07 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3a0j s ILE 18 Cb -0.08 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 3a0j s ILE 18 CO 0.00 0.53 0.47 -0.70 0.00 0.00 0.00 174.94 175.24 3a0j s GLU 19 N 0.04 4.07 0.02 2.79 2.12 0.46 -0.78 118.70 127.43 3a0j s GLU 19 Ca -0.03 0.52 0.09 0.00 0.36 0.00 0.00 54.97 55.91 3a0j s GLU 19 Cb -0.14 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3a0j s GLU 19 CO 0.04 0.59 -0.25 1.03 -0.54 0.00 0.00 175.26 176.12 3a0j s ARG 20 N -0.81 1.83 -0.05 4.30 0.52 -1.26 -1.04 118.95 122.44 3a0j s ARG 20 Ca 0.26 -1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.15 3a0j s ARG 20 Cb -0.17 -1.92 -0.06 0.00 0.52 0.00 0.00 34.95 33.32 3a0j s ARG 20 CO 0.15 0.51 1.68 -1.21 0.02 0.00 0.00 175.30 176.44 3a0j s GLU 21 N -1.02 4.18 -1.43 3.54 2.02 -1.26 -2.79 118.70 121.93 3a0j s GLU 21 Ca 0.11 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.32 3a0j s GLU 21 Cb -0.10 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.13 3a0j s GLU 21 CO 0.01 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 174.84 3a0j n GLY 22 N 4.17 1.27 3.50 -1.39 0.00 -1.26 -4.96 105.19 106.52 3a0j n GLY 22 Ca 0.17 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 3a0j n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a0j s ASP 23 N -2.81 0.75 0.69 1.61 -1.08 -1.12 -5.14 116.67 109.57 3a0j s ASP 23 Ca 0.00 -1.41 -0.12 0.00 -0.52 0.00 0.00 52.55 50.50 3a0j s ASP 23 Cb 0.00 0.65 0.01 0.00 -1.46 0.00 0.00 42.92 42.12 3a0j s ASP 23 CO 0.00 -1.28 1.07 0.42 0.52 0.00 0.00 175.17 175.90 3a0j s THR 24 N -3.17 3.70 0.74 1.71 -4.23 -1.26 -4.47 115.64 108.66 3a0j s THR 24 Ca 0.29 0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 61.33 3a0j s THR 24 Cb -0.00 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.64 3a0j s THR 24 CO 0.18 -0.64 1.09 -1.81 -0.54 0.00 0.00 174.62 172.90 3a0j s ASP 25 N -3.32 4.80 -0.07 3.99 1.01 -1.26 -4.13 116.67 117.69 3a0j s ASP 25 Ca 0.61 1.80 0.02 0.00 0.71 0.00 0.00 52.55 55.69 3a0j s ASP 25 Cb -0.16 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.26 3a0j s ASP 25 CO 0.50 -1.84 -0.12 -0.69 0.21 0.00 0.00 175.17 173.23 3a0j s VAL 26 N -2.86 1.15 0.42 -1.27 1.01 0.04 -4.95 120.40 113.94 3a0j s VAL 26 Ca 0.61 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 3a0j s VAL 26 Cb -0.17 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 3a0j s VAL 26 CO 0.54 0.36 1.29 0.12 0.00 0.00 0.00 175.10 177.41 3a0j s PHE 27 N 0.70 2.78 -0.03 5.22 2.19 -1.26 -0.93 117.98 126.65 3a0j s PHE 27 Ca -0.14 1.42 0.01 0.00 0.33 0.00 0.00 56.93 58.55 3a0j s PHE 27 Cb -0.16 -3.65 0.02 0.00 -1.31 0.00 0.00 43.02 37.92 3a0j s PHE 27 CO 0.03 -2.10 -0.02 0.54 1.83 0.00 0.00 175.22 175.50 3a0j s VAL 28 N -1.29 0.32 0.21 3.12 0.11 -0.36 -0.88 120.40 121.63 3a0j s VAL 28 Ca 0.59 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.68 3a0j s VAL 28 Cb -0.37 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3a0j s VAL 28 CO 0.47 0.17 0.12 -2.28 -3.33 0.00 0.00 175.10 170.25 3a0j s HIS 29 N 0.83 3.04 0.53 1.54 2.46 -1.26 -0.40 115.29 122.04 3a0j s HIS 29 Ca -0.09 -0.09 0.18 0.00 0.47 0.00 0.00 55.06 55.53 3a0j s HIS 29 Cb -0.13 -1.42 1.35 0.00 -0.13 0.00 0.00 32.58 32.26 3a0j s HIS 29 CO -0.01 0.53 2.15 0.10 -2.47 0.00 0.00 174.74 175.05 3a0j h TYR 30 N 2.05 0.00 0.00 3.88 -0.00 -0.94 -1.18 116.97 120.78 3a0j h TYR 30 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3a0j h TYR 30 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.95 3a0j h TYR 30 CO 0.59 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 179.00 3a0j n THR 31 N -4.44 0.91 0.68 -0.90 -2.24 -1.26 -2.56 114.28 104.46 3a0j n THR 31 Ca -0.02 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 3a0j n THR 31 Cb 0.12 -1.23 0.32 0.00 -2.10 0.00 0.00 70.33 67.44 3a0j n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0j n ALA 32 N -1.73 2.67 -2.61 6.98 0.00 -0.44 -4.94 120.51 120.43 3a0j n ALA 32 Ca 0.02 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 3a0j n ALA 32 Cb 0.19 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3a0j n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3a0j s ILE 33 N -3.11 4.92 -0.89 0.00 1.01 -1.06 -1.97 121.20 120.10 3a0j s ILE 33 Ca 0.09 1.04 -0.19 0.00 0.00 0.00 0.00 60.65 61.59 3a0j s ILE 33 Cb 0.14 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.72 3a0j s ILE 33 CO 0.65 -0.11 1.09 0.20 0.00 0.00 0.00 174.94 176.77 3a0j s ASN 34 N 1.57 6.59 -0.06 3.58 -0.87 0.87 -4.92 114.94 121.70 3a0j s ASN 34 Ca 0.27 -1.98 -0.00 0.00 -1.57 0.00 0.00 52.86 49.58 3a0j s ASN 34 Cb -0.15 -2.39 0.03 0.00 -0.02 0.00 0.00 41.25 38.72 3a0j s ASN 34 CO 0.11 -1.07 -0.02 0.00 -2.57 0.00 0.00 177.10 173.55 3a0j s ALA 35 N 2.67 0.64 0.18 0.60 0.00 -1.26 -4.55 121.76 120.04 3a0j s ALA 35 Ca 0.31 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 3a0j s ALA 35 Cb -0.06 -0.56 0.12 0.00 0.00 0.00 0.00 23.12 22.62 3a0j s ALA 35 CO -0.08 -0.23 1.60 0.87 0.00 0.00 0.00 175.76 177.92 3a0j h LYS 36 N 7.73 -0.15 0.00 0.00 6.56 -2.00 -3.31 116.57 125.40 3a0j h LYS 36 Ca -0.30 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 3a0j h LYS 36 Cb 1.14 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 3a0j h LYS 36 CO 0.37 -0.10 -0.24 0.41 -2.06 0.00 0.00 179.45 177.83 3a0j n GLY 37 N -1.42 0.69 3.77 3.86 0.00 -1.26 -5.06 105.19 105.76 3a0j n GLY 37 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3a0j n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a0j s PHE 38 N -1.02 2.72 -0.12 1.61 0.08 -1.25 -4.91 117.98 115.09 3a0j s PHE 38 Ca 0.00 1.31 0.06 0.00 0.12 0.00 0.00 56.93 58.42 3a0j s PHE 38 Cb 0.00 -3.82 -0.08 0.00 -0.57 0.00 0.00 43.02 38.54 3a0j s PHE 38 CO 0.00 -2.48 0.18 0.54 -0.10 0.00 0.00 175.22 173.37 3a0j n ARG 39 N 0.27 2.21 -4.42 0.44 5.12 -1.26 -4.49 116.66 114.52 3a0j n ARG 39 Ca 0.03 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 3a0j n ARG 39 Cb 0.42 -0.99 -0.10 0.00 -1.16 0.00 0.00 32.46 30.62 3a0j n ARG 39 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3a0j s THR 40 N -2.06 1.22 0.26 0.55 -4.23 -1.26 -4.90 115.64 105.22 3a0j s THR 40 Ca -0.00 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.58 3a0j s THR 40 Cb 0.04 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3a0j s THR 40 CO 0.25 -0.10 0.01 -0.76 -0.54 0.00 0.00 174.62 173.48 3a0j s LEU 41 N -3.45 3.23 0.06 4.79 1.43 -1.26 -5.13 118.68 118.34 3a0j s LEU 41 Ca 0.34 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3a0j s LEU 41 Cb 0.07 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3a0j s LEU 41 CO 0.14 0.00 -0.26 0.20 0.23 0.00 0.00 176.35 176.66 3a0j s ASN 42 N -3.68 3.26 -0.13 2.29 0.01 -1.26 -4.61 114.94 110.82 3a0j s ASN 42 Ca 0.31 -0.59 -0.39 0.00 -0.71 0.00 0.00 52.86 51.48 3a0j s ASN 42 Cb -0.06 -0.32 -0.16 0.00 0.41 0.00 0.00 41.25 41.12 3a0j s ASN 42 CO 0.20 0.25 1.58 1.21 -1.51 0.00 0.00 177.10 178.83 3a0j n GLU 43 N 1.64 1.14 0.00 -0.60 2.13 -1.26 -1.01 120.64 122.68 3a0j n GLU 43 Ca -0.17 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3a0j n GLU 43 Cb 0.52 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.15 3a0j n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a0j n GLY 44 N 3.51 0.94 3.68 8.31 0.00 0.05 -4.69 105.19 117.00 3a0j n GLY 44 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 3a0j n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a0j n ASP 45 N 0.00 2.99 -4.72 1.61 8.00 -0.18 -4.37 116.55 119.88 3a0j n ASP 45 Ca 0.00 1.12 -0.37 0.00 0.71 0.00 0.00 54.79 56.25 3a0j n ASP 45 Cb 0.00 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 39.59 3a0j n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3a0j s ILE 46 N 0.26 5.22 0.08 0.53 -1.09 -0.10 -0.61 121.20 125.49 3a0j s ILE 46 Ca 0.71 0.84 0.06 0.00 -2.23 0.00 0.00 60.65 60.03 3a0j s ILE 46 Cb -0.64 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 3a0j s ILE 46 CO 0.46 0.34 -0.17 0.68 -1.23 0.00 0.00 174.94 175.01 3a0j s VAL 47 N 0.62 1.36 0.14 2.92 -7.23 -0.04 -0.93 120.40 117.25 3a0j s VAL 47 Ca 0.23 -1.34 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3a0j s VAL 47 Cb -0.14 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 3a0j s VAL 47 CO 0.08 -0.10 0.16 0.42 -0.31 0.00 0.00 175.10 175.35 3a0j s THR 48 N -1.14 4.67 0.07 5.32 -4.23 -0.30 -1.10 115.64 118.94 3a0j s THR 48 Ca 0.02 -0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 59.32 3a0j s THR 48 Cb -0.10 -3.36 0.09 0.00 1.34 0.00 0.00 72.50 70.47 3a0j s THR 48 CO 0.03 -0.06 1.11 0.72 -0.54 0.00 0.00 174.62 175.88 3a0j s PHE 49 N -1.68 -0.09 0.30 3.99 -0.12 -0.90 -1.17 117.98 118.31 3a0j s PHE 49 Ca 0.31 -0.12 0.10 0.00 -0.05 0.00 0.00 56.93 57.17 3a0j s PHE 49 Cb -0.11 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 3a0j s PHE 49 CO 0.24 -0.56 -0.02 -0.51 -0.05 0.00 0.00 175.22 174.32 3a0j s ASP 50 N -2.95 4.27 -0.17 1.98 1.01 -0.26 -0.32 116.67 120.23 3a0j s ASP 50 Ca 0.13 -0.84 -0.05 0.00 0.71 0.00 0.00 52.55 52.50 3a0j s ASP 50 Cb 0.02 -0.63 -0.03 0.00 1.01 0.00 0.00 42.92 43.28 3a0j s ASP 50 CO -0.01 -0.10 0.01 -0.69 0.21 0.00 0.00 175.17 174.59 3a0j s VAL 51 N -2.43 4.28 -0.19 -1.27 1.01 -1.26 0.24 120.40 120.77 3a0j s VAL 51 Ca 0.33 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 3a0j s VAL 51 Cb -0.04 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3a0j s VAL 51 CO 0.19 0.48 0.04 -0.70 0.00 0.00 0.00 175.10 175.11 3a0j s GLU 52 N 0.39 3.83 0.67 2.72 2.12 0.35 -4.93 118.70 123.85 3a0j s GLU 52 Ca -0.01 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 54.73 3a0j s GLU 52 Cb -0.13 -3.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 3a0j s GLU 52 CO 0.02 0.16 1.26 -2.30 -0.54 0.00 0.00 175.26 173.85 3a0j n PRO 53 N 3.86 0.98 -2.00 4.30 -0.02 -1.26 -1.47 135.00 139.39 3a0j n PRO 53 Ca -0.17 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 3a0j n PRO 53 Cb 0.52 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3a0j n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a0j s GLY 54 N -1.46 2.88 0.19 -1.23 0.00 -1.25 -4.73 107.32 101.71 3a0j s GLY 54 Ca 0.81 1.21 0.08 0.00 0.00 0.00 0.00 44.72 46.83 3a0j s GLY 54 CO 0.42 1.75 -0.17 0.50 0.00 0.00 0.00 173.10 175.60 3a0j s ARG 55 N -2.58 1.33 -1.34 2.90 1.81 -1.22 -4.81 118.95 115.05 3a0j s ARG 55 Ca 0.63 -1.52 -0.06 0.00 -1.72 0.00 0.00 55.73 53.06 3a0j s ARG 55 Cb -0.37 -1.26 0.04 0.00 -0.45 0.00 0.00 34.95 32.91 3a0j s ARG 55 CO 0.46 0.23 0.44 -1.71 -0.68 0.00 0.00 175.30 174.05 3a0j n ASN 56 N -0.08 -4.48 0.00 0.23 5.15 -1.26 -1.30 115.26 113.51 3a0j n ASN 56 Ca -0.10 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 3a0j n ASN 56 Cb 0.59 -3.69 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 3a0j n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a0j n GLY 57 N -1.22 2.37 3.89 8.20 0.00 -1.26 -5.02 105.19 112.15 3a0j n GLY 57 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3a0j n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0j s LYS 58 N -0.68 3.42 1.01 1.61 1.02 -0.42 -5.07 119.74 120.63 3a0j s LYS 58 Ca 0.00 0.50 -0.15 0.00 0.02 0.00 0.00 55.97 56.34 3a0j s LYS 58 Cb 0.00 -2.16 0.19 0.00 -0.52 0.00 0.00 37.83 35.34 3a0j s LYS 58 CO 0.00 -0.56 1.17 0.20 -0.92 0.00 0.00 175.35 175.24 3a0j s GLY 59 N -4.20 1.62 0.71 -3.33 0.00 -1.26 -3.42 107.32 97.44 3a0j s GLY 59 Ca 0.53 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 3a0j s GLY 59 CO 0.51 -0.09 1.15 2.56 0.00 0.00 0.00 173.10 177.23 3a0j s PRO 60 N -5.43 2.41 0.07 2.90 0.04 -1.26 -3.84 135.00 129.89 3a0j s PRO 60 Ca 0.68 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 3a0j s PRO 60 Cb -0.11 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3a0j s PRO 60 CO 0.54 -1.58 0.08 1.14 0.04 0.00 0.00 177.00 177.22 3a0j s GLN 61 N -4.08 0.72 0.18 4.56 -2.07 -0.54 -4.43 119.66 113.99 3a0j s GLN 61 Ca 0.70 -1.08 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 3a0j s GLN 61 Cb -0.24 0.27 -0.08 0.00 -1.09 0.00 0.00 33.01 31.88 3a0j s GLN 61 CO 0.44 -0.19 1.20 0.00 -1.32 0.00 0.00 175.29 175.43 3a0j s ALA 62 N -3.84 3.43 0.23 2.60 0.00 -0.06 -0.49 121.76 123.64 3a0j s ALA 62 Ca 0.06 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3a0j s ALA 62 Cb 0.06 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 3a0j s ALA 62 CO -0.10 -0.37 0.00 0.14 0.00 0.00 0.00 175.76 175.42 3a0j s VAL 63 N 0.02 1.02 -1.34 0.00 -7.23 0.14 -4.61 120.40 108.39 3a0j s VAL 63 Ca 0.53 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3a0j s VAL 63 Cb -0.32 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3a0j s VAL 63 CO 0.36 -0.31 0.63 0.59 -0.31 0.00 0.00 175.10 176.06 3a0j n ASN 64 N -0.42 -1.03 -4.64 4.85 5.03 -1.22 -1.10 115.26 116.73 3a0j n ASN 64 Ca -0.05 -0.87 -0.42 0.00 0.87 0.00 0.00 54.58 54.11 3a0j n ASN 64 Cb 0.64 -3.76 -0.04 0.00 -1.02 0.00 0.00 39.78 35.60 3a0j n ASN 64 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3a0j s VAL 65 N -3.74 4.81 -0.10 2.41 1.01 -0.83 -4.10 120.40 119.85 3a0j s VAL 65 Ca 0.03 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.57 3a0j s VAL 65 Cb -0.01 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3a0j s VAL 65 CO 0.83 -0.13 -0.22 -0.89 0.00 0.00 0.00 175.10 174.69 3a0j s THR 66 N 2.92 1.97 -0.53 3.92 2.01 -0.32 -0.09 115.64 125.53 3a0j s THR 66 Ca 0.35 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 3a0j s THR 66 Cb -0.15 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.67 3a0j s THR 66 CO 0.09 0.54 1.14 -0.69 -0.69 0.00 0.00 174.62 175.00 3a0j s VAL 67 N 0.47 4.15 -0.13 3.82 1.01 -1.26 -1.15 120.40 127.31 3a0j s VAL 67 Ca -0.16 1.00 0.18 0.00 0.00 0.00 0.00 61.98 63.00 3a0j s VAL 67 Cb -0.17 -4.65 -0.16 0.00 0.00 0.00 0.00 36.38 31.40 3a0j s VAL 67 CO 0.06 -1.15 0.72 1.33 0.00 0.00 0.00 175.10 176.05 3a0j n VAL 68 N 6.72 1.02 -3.55 2.92 0.24 -0.11 -4.76 118.33 120.81 3a0j n VAL 68 Ca 0.10 -0.68 -0.29 0.00 -2.04 0.00 0.00 64.34 61.43 3a0j n VAL 68 Cb 0.49 -0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 32.12 3a0j n VAL 68 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a0j s GLU 69 N -2.98 0.25 0.77 7.34 2.02 -1.05 -5.01 118.70 120.04 3a0j s GLU 69 Ca -0.04 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.19 3a0j s GLU 69 Cb 0.09 -1.24 0.01 0.00 0.10 0.00 0.00 34.13 33.09 3a0j s GLU 69 CO 0.82 -1.03 0.76 -2.30 0.02 0.00 0.00 175.26 173.54 3a0j n PRO 70 N 5.16 0.26 -1.73 0.39 -0.02 -1.26 -0.93 135.00 136.88 3a0j n PRO 70 Ca -0.05 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 3a0j n PRO 70 Cb 0.42 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3a0j n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a0j n ALA 71 N -2.74 2.51 -1.61 3.55 0.00 -1.26 -4.72 120.51 116.24 3a0j n ALA 71 Ca 0.11 0.39 -0.51 0.00 0.00 0.00 0.00 53.44 53.43 3a0j n ALA 71 Cb 0.50 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 3a0j n ALA 71 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3a0j n ARG 72 N 2.90 1.37 0.00 0.00 1.85 -1.26 -4.94 116.66 116.59 3a0j n ARG 72 Ca 0.12 0.49 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 3a0j n ARG 72 Cb 0.35 -2.17 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 3a0j n ARG 72 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51