#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcx s VAL 14 N 0.00 5.28 -0.65 6.31 1.01 -1.26 -5.03 120.40 126.06 3dcx s VAL 14 Ca 0.00 0.48 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 3dcx s VAL 14 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3dcx s VAL 14 CO 0.00 0.32 1.92 0.21 0.00 0.00 0.00 175.10 177.54 3dcx s ASN 15 N 0.91 5.18 0.25 3.32 3.84 -1.26 -4.84 114.94 122.34 3dcx s ASN 15 Ca 0.14 0.25 0.07 0.00 0.21 0.00 0.00 52.86 53.53 3dcx s ASN 15 Cb -0.14 -2.53 0.30 0.00 -0.55 0.00 0.00 41.25 38.33 3dcx s ASN 15 CO 0.06 -2.48 1.58 -0.07 -2.79 0.00 0.00 177.10 173.40 3dcx h LEU 16 N 16.93 0.14 -0.74 3.21 3.38 -1.98 -1.44 115.31 134.80 3dcx h LEU 16 Ca -0.21 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3dcx h LEU 16 Cb 1.15 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3dcx h LEU 16 CO 1.21 0.72 0.49 0.44 0.09 0.00 0.00 178.44 181.39 3dcx h ASP 17 N 0.09 0.85 -0.20 -0.43 3.32 -1.99 -0.45 116.42 117.61 3dcx h ASP 17 Ca -0.01 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3dcx h ASP 17 Cb 1.10 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 3dcx h ASP 17 CO 0.09 0.62 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.69 3dcx h GLU 18 N 1.01 0.49 -0.68 3.56 5.08 -1.91 -2.83 114.58 119.30 3dcx h GLU 18 Ca 0.27 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3dcx h GLU 18 Cb -0.12 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3dcx h GLU 18 CO -0.06 0.84 0.14 1.25 -1.00 0.00 0.00 179.01 180.18 3dcx h LEU 19 N 0.16 1.05 -1.33 1.33 5.85 -1.19 -1.90 115.31 119.28 3dcx h LEU 19 Ca 0.03 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3dcx h LEU 19 Cb 0.76 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3dcx h LEU 19 CO 0.05 1.03 0.26 0.00 -0.34 0.00 0.00 178.44 179.43 3dcx h ALA 20 N 1.06 1.49 -0.01 1.25 0.00 -1.13 -0.28 119.26 121.64 3dcx h ALA 20 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dcx h ALA 20 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dcx h ALA 20 CO 0.01 0.41 0.01 0.37 0.00 0.00 0.00 179.25 180.05 3dcx h GLN 21 N 0.72 0.01 -0.37 0.00 5.75 -1.15 -0.40 115.11 119.68 3dcx h GLN 21 Ca 0.18 -0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.51 3dcx h GLN 21 Cb 0.06 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3dcx h GLN 21 CO -0.03 0.07 -0.42 1.49 -2.65 0.00 0.00 178.83 177.30 3dcx h GLU 22 N -0.05 0.93 0.00 1.69 4.81 -0.82 -3.18 114.58 117.95 3dcx h GLU 22 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3dcx h GLU 22 Cb 0.06 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3dcx h GLU 22 CO -0.00 1.16 -0.32 1.28 -0.73 0.00 0.00 179.01 180.40 3dcx n LEU 23 N -4.05 0.44 -0.28 1.64 4.77 -0.16 -4.45 117.00 114.91 3dcx n LEU 23 Ca -0.03 0.27 0.02 0.00 -0.03 0.00 0.00 56.01 56.25 3dcx n LEU 23 Cb 0.56 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3dcx n LEU 23 CO 0.49 0.01 0.70 1.23 -1.33 0.00 0.00 177.39 178.49 3dcx h GLY 24 N 4.83 0.56 2.00 -0.72 0.00 -1.04 -1.69 103.07 107.01 3dcx h GLY 24 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3dcx h GLY 24 CO 0.00 -0.30 -0.03 -2.55 0.00 0.00 0.00 176.54 173.66 3dcx h PRO 25 N -0.00 0.00 -2.97 4.80 0.11 -1.80 -3.46 132.00 128.68 3dcx h PRO 25 Ca 0.38 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.71 3dcx h PRO 25 Cb 0.58 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.39 3dcx h PRO 25 CO -0.82 0.03 0.52 0.44 -0.21 0.00 0.00 178.00 177.96 3dcx n ILE 26 N -3.85 4.73 -4.22 4.15 -5.35 -0.64 -5.11 119.36 109.06 3dcx n ILE 26 Ca -0.03 -5.72 -0.32 0.00 -0.27 0.00 0.00 62.75 56.42 3dcx n ILE 26 Cb 0.11 -2.18 -0.08 0.00 -1.74 0.00 0.00 39.64 35.75 3dcx n ILE 26 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dcx s GLY 28 N -1.25 1.91 0.49 3.28 0.00 -1.26 -5.17 107.32 105.32 3dcx s GLY 28 Ca 0.32 -0.98 0.29 0.00 0.00 0.00 0.00 44.72 44.35 3dcx s GLY 28 CO 0.05 -0.87 1.82 -0.55 0.00 0.00 0.00 173.10 173.54 3dcx h ASP 29 N 4.08 0.15 -0.67 1.64 3.32 -1.99 0.34 116.42 123.29 3dcx h ASP 29 Ca -0.49 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 3dcx h ASP 29 Cb 1.17 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 3dcx h ASP 29 CO 0.59 0.03 0.16 0.59 -1.72 0.00 0.00 179.24 178.89 3dcx n ASN 30 N -4.35 5.18 -4.29 6.45 3.02 -1.26 -4.98 115.26 115.03 3dcx n ASN 30 Ca 0.24 -3.12 -0.28 0.00 -0.03 0.00 0.00 54.58 51.38 3dcx n ASN 30 Cb 1.05 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 39.35 3dcx n ASN 30 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dcx s GLU 31 N -2.92 1.68 -0.08 3.52 2.12 0.12 -4.97 118.70 118.17 3dcx s GLU 31 Ca 0.55 -0.99 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 3dcx s GLU 31 Cb 0.43 -1.78 0.02 0.00 0.26 0.00 0.00 34.13 33.06 3dcx s GLU 31 CO 0.14 0.47 0.23 -1.14 -0.54 0.00 0.00 175.26 174.42 3dcx s GLN 32 N -1.05 0.28 0.34 4.30 0.74 -1.26 -4.65 119.66 118.36 3dcx s GLN 32 Ca 0.10 0.29 -0.29 0.00 0.05 0.00 0.00 55.36 55.51 3dcx s GLN 32 Cb -0.09 0.14 -0.11 0.00 1.10 0.00 0.00 33.01 34.04 3dcx s GLN 32 CO 0.01 -0.04 1.51 -1.17 -0.55 0.00 0.00 175.29 175.06 3dcx s LEU 33 N 0.06 4.34 -0.04 3.68 2.96 -1.26 -1.59 118.68 126.82 3dcx s LEU 33 Ca -0.01 2.98 -0.09 0.00 -0.22 0.00 0.00 54.13 56.79 3dcx s LEU 33 Cb -0.02 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3dcx s LEU 33 CO 0.00 -0.86 -0.17 0.00 -1.32 0.00 0.00 176.35 174.00 3dcx n ALA 34 N 1.20 1.86 -2.69 5.97 0.00 0.01 -4.87 120.51 121.98 3dcx n ALA 34 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 3dcx n ALA 34 Cb 0.39 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 3dcx n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dcx s LEU 35 N -7.29 1.26 -0.02 0.00 1.43 -0.74 -5.03 118.68 108.29 3dcx s LEU 35 Ca -0.14 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 3dcx s LEU 35 Cb 0.02 1.13 0.01 0.00 0.03 0.00 0.00 46.19 47.38 3dcx s LEU 35 CO 0.21 -0.70 0.21 0.00 0.23 0.00 0.00 176.35 176.30 3dcx s ALA 36 N -3.50 -0.53 -0.01 4.21 0.00 -1.26 0.24 121.76 120.91 3dcx s ALA 36 Ca 0.02 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.21 3dcx s ALA 36 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3dcx s ALA 36 CO -0.09 -0.20 -0.13 0.71 0.00 0.00 0.00 175.76 176.04 3dcx s TYR 37 N -1.04 1.20 0.05 0.00 1.51 0.17 -4.67 117.35 114.57 3dcx s TYR 37 Ca -0.11 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 3dcx s TYR 37 Cb -0.06 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 3dcx s TYR 37 CO 0.02 -0.02 0.96 1.03 -1.11 0.00 0.00 175.55 176.43 3dcx s ARG 38 N -0.31 4.62 -0.50 -0.62 0.52 -1.26 -0.69 118.95 120.71 3dcx s ARG 38 Ca 0.05 1.42 0.03 0.00 -0.52 0.00 0.00 55.73 56.71 3dcx s ARG 38 Cb -0.05 -3.42 0.15 0.00 0.52 0.00 0.00 34.95 32.15 3dcx s ARG 38 CO -0.01 0.08 0.31 0.08 0.02 0.00 0.00 175.30 175.78 3dcx s VAL 39 N 0.54 1.60 0.00 3.52 1.01 -0.03 -4.75 120.40 122.28 3dcx s VAL 39 Ca 0.49 -2.99 0.00 0.00 0.00 0.00 0.00 61.98 59.49 3dcx s VAL 39 Cb -0.22 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3dcx s VAL 39 CO 0.29 -0.98 0.00 -0.38 0.00 0.00 0.00 175.10 174.03 3dcx n ILE 40 N 3.05 0.00 0.84 2.22 5.41 -1.26 -2.77 119.36 126.85 3dcx n ILE 40 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 62.75 64.00 3dcx n ILE 40 Cb 0.37 0.00 0.30 0.00 -0.71 0.00 0.00 39.64 39.59 3dcx n ILE 40 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3dcx n ARG 41 N 12.43 2.03 0.00 0.38 -4.01 -1.26 -5.16 116.66 121.07 3dcx n ARG 41 Ca 0.00 -1.56 0.00 0.00 -1.04 0.00 0.00 57.85 55.25 3dcx n ARG 41 Cb 0.00 -1.43 0.00 0.00 -3.04 0.00 0.00 32.46 27.99 3dcx n ARG 41 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3dcx n ASP 42 N 0.78 0.12 -3.39 2.89 8.00 -1.11 -4.57 116.55 119.27 3dcx n ASP 42 Ca 0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 3dcx n ASP 42 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 3dcx n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dcx s PHE 44 N 2.48 -0.67 -0.22 1.24 0.40 0.13 -0.85 117.98 120.50 3dcx s PHE 44 Ca 0.00 0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 56.84 3dcx s PHE 44 Cb 0.00 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.38 3dcx s PHE 44 CO 0.00 -0.72 0.07 0.08 0.70 0.00 0.00 175.22 175.35 3dcx s VAL 45 N 2.48 4.57 -0.29 -0.44 1.01 -0.40 -0.65 120.40 126.68 3dcx s VAL 45 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3dcx s VAL 45 Cb -0.15 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3dcx s VAL 45 CO -0.17 0.39 0.09 -0.36 0.00 0.00 0.00 175.10 175.05 3dcx s PHE 46 N 1.02 3.13 0.31 5.22 0.40 0.14 -0.60 117.98 127.60 3dcx s PHE 46 Ca 0.04 -0.81 0.05 0.00 -0.60 0.00 0.00 56.93 55.61 3dcx s PHE 46 Cb -0.14 -2.26 0.05 0.00 0.51 0.00 0.00 43.02 41.18 3dcx s PHE 46 CO 0.03 -0.52 0.43 0.25 0.70 0.00 0.00 175.22 176.11 3dcx n THR 47 N 4.90 0.00 0.45 0.64 -2.24 -0.52 -0.81 114.28 116.70 3dcx n THR 47 Ca -0.15 -1.01 0.12 0.00 -2.27 0.00 0.00 64.05 60.74 3dcx n THR 47 Cb 0.49 -0.77 0.47 0.00 -2.10 0.00 0.00 70.33 68.42 3dcx n THR 47 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dcx n ASN 48 N -2.67 0.67 -0.00 3.42 6.94 -0.62 -3.99 115.26 119.00 3dcx n ASN 48 Ca 0.09 0.64 0.01 0.00 -0.02 0.00 0.00 54.58 55.30 3dcx n ASN 48 Cb 0.32 -0.79 -0.02 0.00 -2.36 0.00 0.00 39.78 36.93 3dcx n ASN 48 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3dcx n LYS 49 N -2.21 0.46 -3.50 -3.83 5.02 -1.26 -5.01 118.16 107.83 3dcx n LYS 49 Ca 0.03 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3dcx n LYS 49 Cb 0.26 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 3dcx n LYS 49 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dcx s ARG 50 N -2.11 0.93 -0.14 1.97 1.70 -1.26 -2.69 118.95 117.35 3dcx s ARG 50 Ca -0.01 -0.15 -0.23 0.00 -0.47 0.00 0.00 55.73 54.86 3dcx s ARG 50 Cb 0.02 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 3dcx s ARG 50 CO 0.10 -0.37 0.73 -1.17 -1.08 0.00 0.00 175.30 173.52 3dcx s LEU 51 N -2.05 4.21 -0.28 -1.89 2.96 -0.40 -1.44 118.68 119.80 3dcx s LEU 51 Ca -0.00 1.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.93 3dcx s LEU 51 Cb -0.01 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 43.59 3dcx s LEU 51 CO -0.04 -0.27 0.06 -0.63 -1.32 0.00 0.00 176.35 174.14 3dcx s ILE 52 N 1.65 3.89 -0.33 6.68 1.01 0.23 -0.05 121.20 134.27 3dcx s ILE 52 Ca 0.35 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 3dcx s ILE 52 Cb -0.17 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 3dcx s ILE 52 CO 0.14 0.16 0.68 -0.76 0.00 0.00 0.00 174.94 175.16 3dcx s LEU 53 N 1.50 4.17 -0.37 2.97 1.43 0.38 -1.27 118.68 127.49 3dcx s LEU 53 Ca 0.03 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 3dcx s LEU 53 Cb -0.16 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.23 3dcx s LEU 53 CO 0.02 -0.58 0.16 -0.63 0.23 0.00 0.00 176.35 175.55 3dcx s ILE 54 N 2.77 4.00 -0.08 -0.59 1.01 -1.26 -1.01 121.20 126.04 3dcx s ILE 54 Ca 0.27 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3dcx s ILE 54 Cb -0.14 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 3dcx s ILE 54 CO 0.14 -0.29 -0.21 -1.81 0.00 0.00 0.00 174.94 172.77 3dcx s ASP 55 N 1.63 3.40 0.00 3.58 1.01 -0.92 -4.52 116.67 120.85 3dcx s ASP 55 Ca 0.01 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.82 3dcx s ASP 55 Cb -0.20 -1.15 0.00 0.00 1.01 0.00 0.00 42.92 42.57 3dcx s ASP 55 CO 0.03 0.22 0.00 0.29 0.21 0.00 0.00 175.17 175.92 3dcx n LYS 56 N 3.14 1.47 0.00 8.23 5.02 -1.26 -1.34 118.16 133.41 3dcx n LYS 56 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3dcx n LYS 56 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 3dcx n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dcx n GLY 61 N 5.00 0.19 0.00 0.72 0.00 -1.26 -4.91 105.19 104.93 3dcx n GLY 61 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3dcx n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dcx n LYS 62 N 0.00 0.33 -4.02 1.61 3.00 -1.26 -4.65 118.16 113.17 3dcx n LYS 62 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 3dcx n LYS 62 Cb 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 35.03 33.88 3dcx n LYS 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3dcx s LYS 63 N -2.00 2.70 0.04 1.64 2.20 -1.26 -5.10 119.74 117.96 3dcx s LYS 63 Ca 0.00 -1.05 0.05 0.00 -0.36 0.00 0.00 55.97 54.61 3dcx s LYS 63 Cb 0.00 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 3dcx s LYS 63 CO 0.00 -0.41 -0.14 0.08 -0.36 0.00 0.00 175.35 174.51 3dcx s VAL 64 N 1.26 1.14 -0.11 4.02 1.01 -1.26 -4.69 120.40 121.77 3dcx s VAL 64 Ca -0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 3dcx s VAL 64 Cb -0.17 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3dcx s VAL 64 CO -0.06 0.03 -0.09 -0.94 0.00 0.00 0.00 175.10 174.04 3dcx s SER 65 N -1.10 4.37 -0.35 3.32 1.04 -0.45 -5.00 113.70 115.52 3dcx s SER 65 Ca 0.02 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3dcx s SER 65 Cb -0.08 -1.45 0.09 0.00 0.10 0.00 0.00 66.02 64.69 3dcx s SER 65 CO 0.01 0.24 0.09 -0.31 0.98 0.00 0.00 173.24 174.25 3dcx s TYR 66 N -0.07 3.57 -0.39 5.02 1.51 -1.26 -2.16 117.35 123.58 3dcx s TYR 66 Ca -0.01 -2.52 -0.10 0.00 -1.01 0.00 0.00 57.07 53.43 3dcx s TYR 66 Cb -0.14 -2.82 0.04 0.00 -0.11 0.00 0.00 41.96 38.93 3dcx s TYR 66 CO 0.03 -0.93 0.22 -1.58 -1.11 0.00 0.00 175.55 172.18 3dcx s HIS 67 N 1.07 3.27 -0.14 2.71 2.46 -0.18 -4.95 115.29 119.53 3dcx s HIS 67 Ca 0.05 -1.15 -0.17 0.00 0.47 0.00 0.00 55.06 54.26 3dcx s HIS 67 Cb -0.21 -2.57 -0.04 0.00 -0.13 0.00 0.00 32.58 29.63 3dcx s HIS 67 CO -0.05 -0.71 0.44 -1.12 -2.47 0.00 0.00 174.74 170.83 3dcx s SER 68 N 1.71 6.60 -0.31 9.88 0.01 -1.26 -0.47 113.70 129.86 3dcx s SER 68 Ca 0.02 0.72 0.03 0.00 1.31 0.00 0.00 55.95 58.03 3dcx s SER 68 Cb -0.20 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 63.85 3dcx s SER 68 CO 0.05 -0.01 -0.01 -0.69 0.41 0.00 0.00 173.24 173.00 3dcx s VAL 69 N 0.77 2.12 0.53 3.43 1.01 0.93 -5.00 120.40 124.20 3dcx s VAL 69 Ca 0.23 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.00 3dcx s VAL 69 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3dcx s VAL 69 CO 0.09 -0.38 1.32 -2.84 0.00 0.00 0.00 175.10 173.28 3dcx s PRO 70 N 1.03 3.24 0.23 2.72 0.02 -1.26 -1.28 135.00 139.71 3dcx s PRO 70 Ca 0.03 2.14 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 3dcx s PRO 70 Cb -0.19 -2.28 0.21 0.00 0.02 0.00 0.00 34.50 32.27 3dcx s PRO 70 CO -0.08 -1.08 1.89 1.88 -0.33 0.00 0.00 177.00 179.28 3dcx h TYR 71 N 1.55 1.18 0.00 6.54 0.05 -1.88 -1.83 116.97 122.58 3dcx h TYR 71 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 3dcx h TYR 71 Cb 1.29 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 38.64 3dcx h TYR 71 CO 0.47 0.78 0.00 0.36 -1.05 0.00 0.00 178.16 178.72 3dcx n LYS 72 N -4.40 0.11 0.00 4.88 2.85 -1.26 -1.55 118.16 118.79 3dcx n LYS 72 Ca 0.10 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.99 3dcx n LYS 72 Cb 0.05 -1.79 0.16 0.00 -0.65 0.00 0.00 35.03 32.80 3dcx n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dcx n ALA 73 N -1.69 3.70 -2.65 0.58 0.00 -0.69 -4.88 120.51 114.88 3dcx n ALA 73 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 3dcx n ALA 73 Cb 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3dcx n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dcx s ILE 74 N -2.78 4.62 -0.20 0.00 1.01 -0.59 -0.16 121.20 123.09 3dcx s ILE 74 Ca 0.15 1.93 -0.03 0.00 0.00 0.00 0.00 60.65 62.70 3dcx s ILE 74 Cb 0.18 -4.35 -0.21 0.00 0.01 0.00 0.00 42.46 38.09 3dcx s ILE 74 CO 0.67 -0.28 0.03 0.35 0.00 0.00 0.00 174.94 175.70 3dcx n THR 75 N 5.51 1.62 -3.83 2.92 -2.24 -0.14 -4.91 114.28 113.20 3dcx n THR 75 Ca 0.12 -0.58 -0.07 0.00 -2.27 0.00 0.00 64.05 61.25 3dcx n THR 75 Cb 0.46 -1.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.10 3dcx n THR 75 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3dcx s HIS 76 N -2.53 -0.07 0.15 4.78 0.00 -1.25 -5.03 115.29 111.33 3dcx s HIS 76 Ca -0.30 -0.43 -0.23 0.00 -3.00 0.00 0.00 55.06 51.10 3dcx s HIS 76 Cb 0.08 0.74 0.07 0.00 -4.00 0.00 0.00 32.58 29.47 3dcx s HIS 76 CO 0.67 -1.27 0.58 -0.59 -1.00 0.00 0.00 174.74 173.13 3dcx s PHE 77 N -3.24 -0.51 -0.13 0.38 -0.71 -1.26 -0.98 117.98 111.52 3dcx s PHE 77 Ca 0.13 0.33 -0.12 0.00 -1.04 0.00 0.00 56.93 56.22 3dcx s PHE 77 Cb -0.05 0.52 0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3dcx s PHE 77 CO 0.08 -0.82 0.36 -2.00 -1.34 0.00 0.00 175.22 171.49 3dcx s GLU 78 N -3.62 0.42 -0.15 1.99 2.12 -0.54 -4.99 118.70 113.93 3dcx s GLU 78 Ca 0.01 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.84 3dcx s GLU 78 Cb -0.01 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.60 3dcx s GLU 78 CO -0.12 -0.05 -0.19 0.08 -0.54 0.00 0.00 175.26 174.44 3dcx s VAL 79 N 0.18 1.89 -0.10 3.70 1.01 -1.26 -1.13 120.40 124.69 3dcx s VAL 79 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3dcx s VAL 79 Cb -0.02 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3dcx s VAL 79 CO 0.01 0.51 -0.13 -0.70 0.00 0.00 0.00 175.10 174.79 3dcx s GLU 80 N 1.13 3.01 0.07 2.72 2.12 -0.71 -4.94 118.70 122.10 3dcx s GLU 80 Ca -0.01 -0.68 0.08 0.00 0.36 0.00 0.00 54.97 54.72 3dcx s GLU 80 Cb -0.14 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 3dcx s GLU 80 CO -0.07 0.39 -0.21 0.95 -0.54 0.00 0.00 175.26 175.78 3dcx s THR 81 N -0.12 1.67 0.00 -1.70 -4.23 -1.26 -1.14 115.64 108.86 3dcx s THR 81 Ca -0.01 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3dcx s THR 81 Cb -0.14 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3dcx s THR 81 CO 0.03 0.10 0.00 0.47 -0.54 0.00 0.00 174.62 174.68 3dcx n ASP 88 N 1.56 0.00 -4.58 3.99 8.00 -1.26 -5.06 116.55 119.20 3dcx n ASP 88 Ca -0.18 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.06 3dcx n ASP 88 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 3dcx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dcx s ALA 89 N 0.00 3.05 -0.03 2.24 0.00 -0.56 -5.00 121.76 121.46 3dcx s ALA 89 Ca 0.00 -2.05 0.03 0.00 0.00 0.00 0.00 51.96 49.94 3dcx s ALA 89 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3dcx s ALA 89 CO 0.00 0.07 -0.11 -2.00 0.00 0.00 0.00 175.76 173.72 3dcx s GLU 90 N -3.65 1.20 -0.14 0.00 2.12 -0.29 -0.57 118.70 117.36 3dcx s GLU 90 Ca 0.33 -0.38 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 3dcx s GLU 90 Cb 0.02 -1.09 -0.02 0.00 0.26 0.00 0.00 34.13 33.30 3dcx s GLU 90 CO 0.18 0.13 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.78 3dcx s LEU 91 N 0.21 3.05 -0.13 2.70 2.96 0.26 -1.73 118.68 125.99 3dcx s LEU 91 Ca -0.04 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3dcx s LEU 91 Cb -0.10 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3dcx s LEU 91 CO 0.01 0.17 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.55 3dcx s LYS 92 N 0.33 3.42 -0.21 1.98 1.02 -0.29 -0.51 119.74 125.48 3dcx s LYS 92 Ca -0.07 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.27 3dcx s LYS 92 Cb -0.15 -2.66 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3dcx s LYS 92 CO 0.04 0.22 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.02 3dcx s LEU 93 N 0.35 2.61 0.07 3.17 1.43 -0.22 -1.46 118.68 124.63 3dcx s LEU 93 Ca -0.10 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.02 3dcx s LEU 93 Cb -0.16 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3dcx s LEU 93 CO 0.05 -0.08 0.29 0.26 0.23 0.00 0.00 176.35 177.10 3dcx s TRP 94 N 1.24 3.52 -0.02 0.29 0.51 -0.15 -0.63 118.94 123.70 3dcx s TRP 94 Ca -0.01 0.46 0.06 0.00 -2.12 0.00 0.00 56.10 54.49 3dcx s TRP 94 Cb -0.16 -1.92 -0.01 0.00 -0.81 0.00 0.00 33.47 30.57 3dcx s TRP 94 CO -0.10 0.54 -0.19 0.42 -0.51 0.00 0.00 176.95 177.11 3dcx s ILE 95 N -1.50 1.51 0.10 2.03 1.01 -1.26 -0.96 121.20 122.13 3dcx s ILE 95 Ca 0.35 -0.81 -0.35 0.00 0.00 0.00 0.00 60.65 59.84 3dcx s ILE 95 Cb -0.13 -1.27 -0.18 0.00 0.01 0.00 0.00 42.46 40.90 3dcx s ILE 95 CO 0.23 0.43 1.06 -0.24 0.00 0.00 0.00 174.94 176.42 3dcx n SER 96 N 2.71 0.54 0.00 3.58 2.88 0.77 -2.71 113.62 121.39 3dcx n SER 96 Ca -0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 3dcx n SER 96 Cb 0.53 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 3dcx n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dcx n GLY 97 N 1.92 0.51 3.15 0.46 0.00 -1.26 -5.02 105.19 104.95 3dcx n GLY 97 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3dcx n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dcx s GLN 98 N -0.39 0.49 0.02 1.61 -2.07 -1.10 -5.07 119.66 113.14 3dcx s GLN 98 Ca 0.00 -0.13 -0.23 0.00 -1.82 0.00 0.00 55.36 53.18 3dcx s GLN 98 Cb 0.00 0.21 -0.17 0.00 -1.09 0.00 0.00 33.01 31.96 3dcx s GLN 98 CO 0.00 -0.11 1.37 -0.22 -1.32 0.00 0.00 175.29 175.01 3dcx h LYS 99 N 4.56 0.13 -6.40 9.60 3.64 -1.95 -3.42 116.57 122.73 3dcx h LYS 99 Ca -0.29 -0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 58.50 3dcx h LYS 99 Cb 1.19 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3dcx h LYS 99 CO 0.39 0.49 0.16 -0.51 -2.27 0.00 0.00 179.45 177.71 3dcx s ASP 100 N -5.75 7.29 0.63 4.20 1.01 -1.26 -4.96 116.67 117.84 3dcx s ASP 100 Ca -0.15 1.53 -0.10 0.00 0.71 0.00 0.00 52.55 54.54 3dcx s ASP 100 Cb 0.04 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 3dcx s ASP 100 CO 0.70 0.12 1.02 -2.16 0.21 0.00 0.00 175.17 175.05 3dcx s PRO 101 N -0.61 3.25 0.09 8.23 0.04 -1.26 -4.59 135.00 140.14 3dcx s PRO 101 Ca 0.37 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 3dcx s PRO 101 Cb -0.22 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 3dcx s PRO 101 CO 0.24 -0.72 1.02 -0.51 0.04 0.00 0.00 177.00 177.07 3dcx s LEU 102 N -5.18 4.45 -0.11 -3.56 1.43 0.20 -4.90 118.68 111.01 3dcx s LEU 102 Ca 0.55 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.52 3dcx s LEU 102 Cb -0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3dcx s LEU 102 CO 0.51 -0.19 -0.23 -0.69 0.23 0.00 0.00 176.35 175.99 3dcx s VAL 103 N 0.33 2.02 -0.06 -1.59 1.01 -1.26 -1.06 120.40 119.79 3dcx s VAL 103 Ca 0.50 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3dcx s VAL 103 Cb -0.24 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3dcx s VAL 103 CO 0.30 0.55 -0.03 -0.54 0.00 0.00 0.00 175.10 175.38 3dcx s LYS 104 N 0.47 0.85 -0.10 2.72 -0.14 0.33 -4.99 119.74 118.88 3dcx s LYS 104 Ca -0.16 -0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 3dcx s LYS 104 Cb -0.17 -0.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.99 3dcx s LYS 104 CO 0.06 -0.17 0.99 -2.00 -0.76 0.00 0.00 175.35 173.47 3dcx s GLU 105 N 1.35 4.42 -0.67 1.68 2.56 -1.26 -0.58 118.70 126.20 3dcx s GLU 105 Ca -0.04 1.36 -0.07 0.00 0.00 0.00 0.00 54.97 56.22 3dcx s GLU 105 Cb -0.13 -3.54 0.18 0.00 2.00 0.00 0.00 34.13 32.63 3dcx s GLU 105 CO -0.02 -0.29 0.53 -0.51 -0.56 0.00 0.00 175.26 174.41 3dcx s LEU 106 N 1.94 5.75 0.77 2.70 1.43 0.26 -4.98 118.68 126.56 3dcx s LEU 106 Ca 0.48 -2.72 -0.11 0.00 -1.03 0.00 0.00 54.13 50.75 3dcx s LEU 106 Cb -0.18 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.12 3dcx s LEU 106 CO 0.18 -0.46 1.09 -0.54 0.23 0.00 0.00 176.35 176.85 3dcx s LYS 107 N 0.13 2.26 -0.17 1.70 3.01 -1.26 -1.50 119.74 123.91 3dcx s LYS 107 Ca 0.16 1.06 -0.40 0.00 -1.01 0.00 0.00 55.97 55.78 3dcx s LYS 107 Cb -0.18 -1.90 -0.17 0.00 -1.01 0.00 0.00 37.83 34.57 3dcx s LYS 107 CO -0.05 -1.61 1.53 0.36 0.51 0.00 0.00 175.35 176.09 3dcx n LYS 108 N -3.49 0.87 0.00 1.68 0.00 -1.26 -1.24 118.16 114.73 3dcx n LYS 108 Ca 0.08 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 3dcx n LYS 108 Cb 0.54 -1.95 0.00 0.00 -0.00 0.00 0.00 35.03 33.62 3dcx n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3dcx n GLY 109 N 3.37 2.44 3.77 2.58 0.00 -1.26 -5.09 105.19 110.99 3dcx n GLY 109 Ca 0.24 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 3dcx n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dcx s THR 110 N -0.25 2.88 -1.15 2.61 2.01 -0.37 -4.93 115.64 116.44 3dcx s THR 110 Ca 0.00 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 3dcx s THR 110 Cb 0.00 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 69.06 3dcx s THR 110 CO 0.00 0.13 1.67 -0.62 -0.69 0.00 0.00 174.62 175.11 3dcx s ASP 111 N -0.80 6.39 0.12 3.53 2.15 -1.26 -4.81 116.67 121.98 3dcx s ASP 111 Ca 0.54 -1.86 -0.15 0.00 0.43 0.00 0.00 52.55 51.51 3dcx s ASP 111 Cb -0.36 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.66 3dcx s ASP 111 CO 0.46 -1.62 1.55 0.58 -0.17 0.00 0.00 175.17 175.97 3dcx h VAL 112 N 6.22 1.26 -0.36 1.11 2.07 -1.93 -1.78 116.25 122.84 3dcx h VAL 112 Ca 0.31 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3dcx h VAL 112 Cb 0.94 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3dcx h VAL 112 CO 1.40 0.35 -0.02 0.58 0.02 0.00 0.00 177.57 179.91 3dcx h VAL 113 N 0.50 1.26 -0.51 2.57 2.07 -2.00 -2.52 116.25 117.63 3dcx h VAL 113 Ca 0.10 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3dcx h VAL 113 Cb 0.50 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3dcx h VAL 113 CO 0.02 0.34 0.30 1.23 0.02 0.00 0.00 177.57 179.48 3dcx h GLY 114 N 0.46 0.74 0.89 2.17 0.00 -1.95 -0.81 103.07 104.57 3dcx h GLY 114 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3dcx h GLY 114 CO 0.02 0.31 0.63 -2.22 0.00 0.00 0.00 176.54 175.28 3dcx h ILE 115 N 0.68 1.18 -0.41 2.60 2.04 -1.28 -0.86 117.51 121.46 3dcx h ILE 115 Ca 0.18 -0.42 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 3dcx h ILE 115 Cb 0.01 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 35.91 3dcx h ILE 115 CO -0.03 0.23 -0.25 1.56 0.00 0.00 0.00 178.15 179.65 3dcx h GLN 116 N 1.23 0.89 -0.49 2.37 4.20 -0.99 -1.08 115.11 121.25 3dcx h GLN 116 Ca 0.38 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3dcx h GLN 116 Cb -0.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3dcx h GLN 116 CO -0.12 1.07 0.25 -0.22 -0.67 0.00 0.00 178.83 179.14 3dcx h LYS 117 N 0.71 0.70 -0.56 1.46 1.63 -0.90 -1.76 116.57 117.86 3dcx h LYS 117 Ca 0.08 -0.10 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 3dcx h LYS 117 Cb 0.83 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 3dcx h LYS 117 CO 0.07 0.58 -0.09 1.15 -3.45 0.00 0.00 179.45 177.71 3dcx h THR 118 N 0.65 1.27 -0.31 1.00 2.02 -1.01 0.27 112.91 116.81 3dcx h THR 118 Ca 0.17 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3dcx h THR 118 Cb 0.09 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3dcx h THR 118 CO -0.02 0.44 0.18 0.40 0.37 0.00 0.00 175.52 176.89 3dcx h ILE 119 N 0.93 1.04 0.22 3.11 2.04 -1.07 -1.02 117.51 122.76 3dcx h ILE 119 Ca 0.15 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3dcx h ILE 119 Cb 0.66 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3dcx h ILE 119 CO 0.05 0.07 -0.14 0.00 0.00 0.00 0.00 178.15 178.12 3dcx h ALA 120 N 1.13 -0.34 -0.92 1.87 0.00 -1.06 -1.40 119.26 118.54 3dcx h ALA 120 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dcx h ALA 120 Cb -0.01 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3dcx h ALA 120 CO -0.05 -0.70 0.61 -0.91 0.00 0.00 0.00 179.25 178.19 3dcx h ASN 121 N -0.36 1.03 0.58 0.00 2.35 -0.27 -2.09 115.58 116.82 3dcx h ASN 121 Ca -0.02 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3dcx h ASN 121 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3dcx h ASN 121 CO 0.02 0.73 -1.47 0.49 -1.65 0.00 0.00 177.43 175.54 3dcx n PHE 122 N -4.42 0.65 -0.10 1.19 3.01 -0.40 -4.48 117.46 112.90 3dcx n PHE 122 Ca 0.11 0.20 -0.12 0.00 1.01 0.00 0.00 57.45 58.65 3dcx n PHE 122 Cb 0.06 -0.87 -0.12 0.00 -0.01 0.00 0.00 39.48 38.54 3dcx n PHE 122 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3dcx n SER 123 N -2.62 1.64 -0.01 4.37 3.41 -0.53 -4.96 113.62 114.92 3dcx n SER 123 Ca -0.06 -0.06 0.16 0.00 -0.26 0.00 0.00 58.87 58.65 3dcx n SER 123 Cb 0.67 0.23 0.94 0.00 -0.26 0.00 0.00 64.21 65.80 3dcx n SER 123 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06