#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx s ILE 18 N 0.00 4.50 0.21 1.96 2.07 -1.26 -3.34 121.20 125.33 2vtx s ILE 18 Ca 0.00 1.80 0.09 0.00 -1.41 0.00 0.00 60.65 61.13 2vtx s ILE 18 Cb 0.00 -4.15 -0.04 0.00 0.13 0.00 0.00 42.46 38.40 2vtx s ILE 18 CO 0.00 0.14 -0.09 0.86 -1.91 0.00 0.00 174.94 173.95 2vtx s TRP 19 N 1.01 2.60 -0.08 3.50 -0.00 0.81 -5.00 118.94 121.78 2vtx s TRP 19 Ca 0.55 -0.24 -0.20 0.00 -0.00 0.00 0.00 56.10 56.21 2vtx s TRP 19 Cb -0.25 -1.23 0.05 0.00 -0.00 0.00 0.00 33.47 32.04 2vtx s TRP 19 CO 0.29 0.56 0.48 0.20 -0.00 0.00 0.00 176.95 178.48 2vtx s GLY 20 N -3.11 -0.35 0.16 5.86 0.00 -1.26 -0.68 107.32 107.94 2vtx s GLY 20 Ca 0.27 0.97 0.03 0.00 0.00 0.00 0.00 44.72 45.98 2vtx s GLY 20 CO 0.16 0.72 -0.04 0.00 0.00 0.00 0.00 173.10 173.94 2vtx s GLU 22 N -3.85 3.41 0.09 0.00 2.12 -1.26 -2.14 118.70 117.07 2vtx s GLU 22 Ca 0.20 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 54.95 2vtx s GLU 22 Cb 0.05 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2vtx s GLU 22 CO 0.02 -0.11 0.07 -0.51 -0.54 0.00 0.00 175.26 174.19 2vtx s LEU 23 N 1.24 3.73 0.36 2.70 1.43 0.28 -4.95 118.68 123.46 2vtx s LEU 23 Ca 0.03 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2vtx s LEU 23 Cb -0.14 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2vtx s LEU 23 CO -0.02 0.16 0.75 0.54 0.23 0.00 0.00 176.35 178.01 2vtx s ASN 24 N -2.47 0.04 0.24 2.29 2.20 -1.05 -0.42 114.94 115.76 2vtx s ASN 24 Ca 0.29 -1.08 -0.04 0.00 -0.94 0.00 0.00 52.86 51.08 2vtx s ASN 24 Cb -0.12 0.81 0.46 0.00 -2.00 0.00 0.00 41.25 40.40 2vtx s ASN 24 CO 0.21 -1.59 1.72 -0.08 -2.94 0.00 0.00 177.10 174.42 2vtx h GLU 25 N 2.01 0.38 0.21 3.55 4.81 -1.55 -1.86 114.58 122.14 2vtx h GLU 25 Ca -0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2vtx h GLU 25 Cb 1.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2vtx h GLU 25 CO 0.37 0.25 -0.10 1.96 -0.73 0.00 0.00 179.01 180.76 2vtx h GLN 26 N 0.39 -0.28 -2.61 1.92 1.08 -1.98 -3.38 115.11 110.26 2vtx h GLN 26 Ca 0.41 0.02 -0.72 0.00 -1.45 0.00 0.00 58.65 56.92 2vtx h GLN 26 Cb 0.65 0.06 -0.34 0.00 -0.05 0.00 0.00 27.48 27.80 2vtx h GLN 26 CO -0.43 -0.02 0.17 0.09 -0.95 0.00 0.00 178.83 177.69 2vtx n ASN 27 N -5.12 5.23 0.23 1.46 4.13 -0.76 -4.89 115.26 115.55 2vtx n ASN 27 Ca -0.09 -3.42 0.16 0.00 1.68 0.00 0.00 54.58 52.90 2vtx n ASN 27 Cb 0.21 -1.00 0.76 0.00 -1.54 0.00 0.00 39.78 38.21 2vtx n ASN 27 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2vtx h LYS 28 N 4.89 0.00 -5.10 3.52 1.57 -1.59 -2.79 116.57 117.07 2vtx h LYS 28 Ca 0.20 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.53 2vtx h LYS 28 Cb 0.64 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.66 2vtx h LYS 28 CO 1.11 0.00 -0.80 0.99 -0.57 0.00 0.00 179.45 180.18 2vtx s THR 29 N -3.69 0.97 -0.10 -0.16 2.01 -1.26 0.44 115.64 113.85 2vtx s THR 29 Ca -0.01 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 2vtx s THR 29 Cb 0.09 -0.82 0.05 0.00 0.01 0.00 0.00 72.50 71.83 2vtx s THR 29 CO 0.38 0.23 0.19 0.12 -0.69 0.00 0.00 174.62 174.85 2vtx s PHE 30 N -0.37 -0.26 0.06 4.92 5.36 -0.90 -5.02 117.98 121.78 2vtx s PHE 30 Ca 0.04 0.73 -0.16 0.00 -0.96 0.00 0.00 56.93 56.58 2vtx s PHE 30 Cb -0.05 -0.18 -0.06 0.00 -0.34 0.00 0.00 43.02 42.39 2vtx s PHE 30 CO -0.00 -0.29 0.50 -1.83 -1.46 0.00 0.00 175.22 172.13 2vtx s GLU 31 N 2.28 4.02 -0.23 10.12 -1.05 -1.26 -1.60 118.70 130.98 2vtx s GLU 31 Ca 0.02 0.53 -0.06 0.00 -0.15 0.00 0.00 54.97 55.31 2vtx s GLU 31 Cb -0.12 -3.15 -0.02 0.00 -0.44 0.00 0.00 34.13 30.40 2vtx s GLU 31 CO -0.07 0.62 0.01 0.12 0.95 0.00 0.00 175.26 176.89 2vtx s PHE 32 N -1.20 3.03 0.00 4.83 5.36 0.95 -4.94 117.98 126.01 2vtx s PHE 32 Ca 0.29 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 2vtx s PHE 32 Cb -0.17 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.35 2vtx s PHE 32 CO 0.17 -0.41 0.00 0.36 -1.46 0.00 0.00 175.22 173.88 2vtx n LYS 33 N 4.75 0.00 -1.45 10.12 0.00 -1.26 -1.30 118.16 129.02 2vtx n LYS 33 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2vtx n LYS 33 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 2vtx n LYS 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2vtx n HIS 43 N 0.00 -2.23 -3.83 5.58 -0.00 -1.26 -4.36 115.22 109.12 2vtx n HIS 43 Ca 0.00 1.18 -0.22 0.00 -0.00 0.00 0.00 57.72 58.67 2vtx n HIS 43 Cb 0.00 -1.99 -0.05 0.00 -0.00 0.00 0.00 29.99 27.95 2vtx n HIS 43 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2vtx s GLN 44 N -2.72 2.42 -0.26 -0.41 -0.21 -1.25 -4.64 119.66 112.58 2vtx s GLN 44 Ca 0.00 -1.64 -0.07 0.00 0.02 0.00 0.00 55.36 53.67 2vtx s GLN 44 Cb 0.00 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.77 2vtx s GLN 44 CO 0.00 -0.13 0.07 -1.17 -2.12 0.00 0.00 175.29 171.95 2vtx s LEU 45 N -4.02 3.52 -0.24 2.90 0.20 0.11 -2.42 118.68 118.72 2vtx s LEU 45 Ca 0.44 -0.31 -0.19 0.00 0.69 0.00 0.00 54.13 54.76 2vtx s LEU 45 Cb -0.01 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2vtx s LEU 45 CO 0.25 -0.07 0.55 0.00 -0.29 0.00 0.00 176.35 176.79 2vtx s ALA 46 N 1.59 3.58 0.32 5.97 0.00 0.39 -0.72 121.76 132.90 2vtx s ALA 46 Ca 0.06 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2vtx s ALA 46 Cb -0.15 -2.91 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 2vtx s ALA 46 CO 0.03 -0.68 1.24 -0.51 0.00 0.00 0.00 175.76 175.84 2vtx s LEU 47 N 2.18 4.45 -0.06 0.00 1.43 -0.95 0.11 118.68 125.84 2vtx s LEU 47 Ca 0.23 2.55 -0.09 0.00 -1.03 0.00 0.00 54.13 55.79 2vtx s LEU 47 Cb -0.16 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2vtx s LEU 47 CO 0.09 -0.43 -0.18 0.54 0.23 0.00 0.00 176.35 176.60 2vtx n ARG 48 N 0.85 0.27 -4.34 1.70 5.12 -0.88 -4.62 116.66 114.76 2vtx n ARG 48 Ca -0.00 0.11 -0.18 0.00 -1.93 0.00 0.00 57.85 55.85 2vtx n ARG 48 Cb 0.43 -0.94 -0.10 0.00 -1.16 0.00 0.00 32.46 30.68 2vtx n ARG 48 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2vtx s THR 49 N -2.30 1.24 -0.05 0.55 -4.23 -1.23 -0.52 115.64 109.11 2vtx s THR 49 Ca -0.15 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.32 2vtx s THR 49 Cb 0.02 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2vtx s THR 49 CO 0.22 -0.39 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.10 2vtx s VAL 50 N -3.28 1.01 0.07 2.29 1.01 -0.65 -1.04 120.40 119.80 2vtx s VAL 50 Ca 0.27 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2vtx s VAL 50 Cb 0.04 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.58 2vtx s VAL 50 CO 0.08 0.32 0.58 0.00 0.00 0.00 0.00 175.10 176.07 2vtx s LEU 52 N -2.10 4.24 0.58 0.00 1.43 -0.52 0.22 118.68 122.53 2vtx s LEU 52 Ca -0.04 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 2vtx s LEU 52 Cb -0.00 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2vtx s LEU 52 CO -0.03 0.18 1.13 -0.83 0.23 0.00 0.00 176.35 177.02 2vtx s GLY 53 N -2.45 2.51 0.00 -3.19 0.00 0.12 -4.91 107.32 99.41 2vtx s GLY 53 Ca 0.33 0.77 0.09 0.00 0.00 0.00 0.00 44.72 45.91 2vtx s GLY 53 CO 0.26 1.12 1.21 2.09 0.00 0.00 0.00 173.10 177.78 2vtx n ASP 54 N -1.63 0.00 -0.33 1.64 5.75 -1.26 -2.08 116.55 118.64 2vtx n ASP 54 Ca 0.11 0.26 0.03 0.00 -0.01 0.00 0.00 54.79 55.19 2vtx n ASP 54 Cb 0.51 -0.35 0.06 0.00 -1.03 0.00 0.00 41.12 40.31 2vtx n ASP 54 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2vtx n LYS 55 N -1.35 1.34 -1.66 0.11 4.76 -1.26 -5.02 118.16 115.07 2vtx n LYS 55 Ca 0.04 -1.34 -0.43 0.00 -2.87 0.00 0.00 58.31 53.70 2vtx n LYS 55 Cb 0.08 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 32.12 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vtx n ALA 56 N 0.26 0.83 -1.31 7.82 0.00 -0.88 -4.80 120.51 122.42 2vtx n ALA 56 Ca 0.05 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 2vtx n ALA 56 Cb 0.26 -2.19 0.08 0.00 0.00 0.00 0.00 19.45 17.60 2vtx n ALA 56 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2vtx s LYS 57 N -1.60 2.33 -1.31 0.00 1.02 -1.26 -4.93 119.74 113.99 2vtx s LYS 57 Ca 0.58 1.38 -0.16 0.00 0.02 0.00 0.00 55.97 57.79 2vtx s LYS 57 Cb -0.62 -1.89 0.10 0.00 -0.52 0.00 0.00 37.83 34.90 2vtx s LYS 57 CO 0.60 -1.62 1.77 -3.47 -0.92 0.00 0.00 175.35 171.71 2vtx n ASP 58 N -3.04 4.83 -3.93 2.83 4.64 -1.26 -4.66 116.55 115.96 2vtx n ASP 58 Ca 0.10 -2.93 -0.09 0.00 -1.38 0.00 0.00 54.79 50.49 2vtx n ASP 58 Cb 0.52 -1.67 -0.07 0.00 -1.04 0.00 0.00 41.12 38.85 2vtx n ASP 58 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 2vtx s GLU 59 N 3.15 1.00 0.09 -0.67 -1.05 -1.26 -4.98 118.70 114.98 2vtx s GLU 59 Ca 0.49 -1.11 -0.31 0.00 -0.15 0.00 0.00 54.97 53.90 2vtx s GLU 59 Cb 0.05 0.35 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 2vtx s GLU 59 CO 0.03 -0.34 1.63 -0.06 0.95 0.00 0.00 175.26 177.46 2vtx s PHE 60 N -3.93 2.58 -0.12 4.83 0.40 -1.26 -4.39 117.98 116.10 2vtx s PHE 60 Ca 0.12 0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.83 2vtx s PHE 60 Cb 0.04 -3.95 -0.03 0.00 0.51 0.00 0.00 43.02 39.60 2vtx s PHE 60 CO -0.05 -3.72 -0.02 -1.01 0.70 0.00 0.00 175.22 171.12 2vtx s HIS 61 N 2.28 3.08 -0.05 0.36 3.76 0.79 -3.21 115.29 122.31 2vtx s HIS 61 Ca 0.73 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 55.65 2vtx s HIS 61 Cb -0.40 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.43 2vtx s HIS 61 CO 0.32 0.24 -0.13 0.42 -0.85 0.00 0.00 174.74 174.73 2vtx s ILE 62 N -0.31 1.18 -0.12 0.60 1.01 -0.84 -0.67 121.20 122.05 2vtx s ILE 62 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2vtx s ILE 62 Cb -0.12 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 2vtx s ILE 62 CO 0.02 0.36 -0.17 0.54 0.00 0.00 0.00 174.94 175.69 2vtx s VAL 63 N 0.35 2.70 0.36 2.92 0.11 -0.85 -1.05 120.40 124.94 2vtx s VAL 63 Ca -0.09 -0.79 0.09 0.00 -2.93 0.00 0.00 61.98 58.26 2vtx s VAL 63 Cb -0.13 -2.10 -0.07 0.00 -1.53 0.00 0.00 36.38 32.55 2vtx s VAL 63 CO 0.03 0.54 -0.06 -1.83 -3.33 0.00 0.00 175.10 170.45 2vtx s GLU 64 N 0.32 1.89 -0.16 1.54 -1.05 -0.71 -0.36 118.70 120.17 2vtx s GLU 64 Ca -0.13 -1.94 -0.05 0.00 -0.15 0.00 0.00 54.97 52.71 2vtx s GLU 64 Cb -0.16 -1.73 -0.03 0.00 -0.44 0.00 0.00 34.13 31.76 2vtx s GLU 64 CO 0.07 0.10 -0.01 0.42 0.95 0.00 0.00 175.26 176.79 2vtx s ILE 65 N -2.61 4.16 -0.10 1.83 1.01 0.22 -2.07 121.20 123.63 2vtx s ILE 65 Ca 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 2vtx s ILE 65 Cb 0.03 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2vtx s ILE 65 CO 0.17 0.49 -0.09 -0.69 0.00 0.00 0.00 174.94 174.82 2vtx s VAL 66 N 0.28 3.46 0.23 2.92 1.01 -0.06 -0.46 120.40 127.79 2vtx s VAL 66 Ca -0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2vtx s VAL 66 Cb -0.13 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2vtx s VAL 66 CO 0.02 0.55 0.57 1.51 0.00 0.00 0.00 175.10 177.76 2vtx s ASP 67 N -0.20 -0.23 -0.09 3.32 1.47 -1.06 -3.22 116.67 116.65 2vtx s ASP 67 Ca 0.02 -0.60 -0.29 0.00 1.18 0.00 0.00 52.55 52.86 2vtx s ASP 67 Cb -0.13 0.63 -0.02 0.00 -0.34 0.00 0.00 42.92 43.06 2vtx s ASP 67 CO 0.03 -1.16 0.97 -1.10 0.68 0.00 0.00 175.17 174.59 2vtx s GLN 68 N -3.91 4.43 -0.10 2.11 -1.52 -1.26 0.12 119.66 119.53 2vtx s GLN 68 Ca 0.12 1.33 0.01 0.00 -1.95 0.00 0.00 55.36 54.87 2vtx s GLN 68 Cb -0.02 -3.53 0.02 0.00 -0.22 0.00 0.00 33.01 29.26 2vtx s GLN 68 CO 0.02 -0.25 -0.11 -1.21 -0.25 0.00 0.00 175.29 173.49 2vtx s GLU 69 N 1.80 1.77 0.00 2.91 8.01 -0.35 -4.93 118.70 127.91 2vtx s GLU 69 Ca 0.47 -0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.07 2vtx s GLU 69 Cb -0.18 -1.63 0.00 0.00 -4.31 0.00 0.00 34.13 28.01 2vtx s GLU 69 CO 0.19 -0.14 0.00 -0.85 0.01 0.00 0.00 175.26 174.47 2vtx n GLU 70 N 4.44 0.00 -1.98 1.61 -0.00 -1.26 -2.25 120.64 121.20 2vtx n GLU 70 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2vtx n GLU 70 Cb 0.51 0.00 0.05 0.00 -0.00 0.00 0.00 31.44 32.00 2vtx n GLU 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vtx n GLY 71 N 0.00 2.27 3.41 -1.84 0.00 -1.26 -5.00 105.19 102.77 2vtx n GLY 71 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2vtx n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vtx s ALA 72 N -2.19 2.44 -0.06 4.61 0.00 -0.95 -5.15 121.76 120.46 2vtx s ALA 72 Ca 0.33 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 2vtx s ALA 72 Cb 0.36 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2vtx s ALA 72 CO -0.09 0.55 1.26 -2.00 0.00 0.00 0.00 175.76 175.49 2vtx s GLU 73 N -1.56 4.32 -0.12 0.00 2.12 -1.26 -1.21 118.70 120.99 2vtx s GLU 73 Ca 0.14 1.74 0.02 0.00 0.36 0.00 0.00 54.97 57.22 2vtx s GLU 73 Cb -0.10 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2vtx s GLU 73 CO 0.05 -0.52 -0.18 -1.59 -0.54 0.00 0.00 175.26 172.48 2vtx s LYS 74 N 2.49 3.23 -0.19 4.30 0.00 0.12 -4.95 119.74 124.73 2vtx s LYS 74 Ca 0.58 -0.77 -0.02 0.00 0.00 0.00 0.00 55.97 55.75 2vtx s LYS 74 Cb -0.26 -2.48 -0.01 0.00 0.00 0.00 0.00 37.83 35.08 2vtx s LYS 74 CO 0.22 0.19 -0.08 0.14 0.00 0.00 0.00 175.35 175.82 2vtx s VAL 75 N 0.36 3.15 -0.23 1.79 -7.23 -1.26 -2.57 120.40 114.41 2vtx s VAL 75 Ca -0.14 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2vtx s VAL 75 Cb -0.17 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.43 2vtx s VAL 75 CO 0.07 0.47 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.54 2vtx s VAL 76 N 1.12 1.77 0.22 1.32 1.01 0.39 -4.94 120.40 121.29 2vtx s VAL 76 Ca 0.01 -1.24 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 2vtx s VAL 76 Cb -0.14 -1.90 -0.11 0.00 0.00 0.00 0.00 36.38 34.23 2vtx s VAL 76 CO -0.02 0.05 1.58 -2.84 0.00 0.00 0.00 175.10 173.87 2vtx s PRO 77 N 1.31 4.18 0.00 2.72 0.02 -1.26 0.69 135.00 142.67 2vtx s PRO 77 Ca -0.04 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2vtx s PRO 77 Cb -0.18 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.24 2vtx s PRO 77 CO -0.07 -0.61 0.00 0.44 -0.33 0.00 0.00 177.00 176.43 2vtx n ILE 78 N 3.25 0.00 -3.65 2.83 -5.35 0.52 -4.91 119.36 112.05 2vtx n ILE 78 Ca 0.12 -0.45 -0.06 0.00 -0.27 0.00 0.00 62.75 62.09 2vtx n ILE 78 Cb 0.38 0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 39.18 2vtx n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vtx s ALA 79 N -1.00 -1.73 -0.21 -1.28 0.00 -1.17 -5.02 121.76 111.36 2vtx s ALA 79 Ca 0.00 2.17 -0.04 0.00 0.00 0.00 0.00 51.96 54.09 2vtx s ALA 79 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2vtx s ALA 79 CO 0.00 -0.56 -0.02 0.99 0.00 0.00 0.00 175.76 176.16 2vtx s THR 80 N 2.08 3.66 0.31 0.00 2.01 -1.26 -2.01 115.64 120.42 2vtx s THR 80 Ca -0.08 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.62 2vtx s THR 80 Cb -0.08 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.72 2vtx s THR 80 CO -0.18 0.43 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.28 2vtx s LEU 81 N 1.19 2.65 -0.26 4.42 1.43 0.15 -4.96 118.68 123.30 2vtx s LEU 81 Ca 0.03 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 51.85 2vtx s LEU 81 Cb -0.14 -1.02 0.08 0.00 0.03 0.00 0.00 46.19 45.13 2vtx s LEU 81 CO 0.00 -0.10 0.66 -0.75 0.23 0.00 0.00 176.35 176.39 2vtx s LYS 82 N -3.57 0.68 0.23 1.70 2.20 -0.99 -0.15 119.74 119.84 2vtx s LYS 82 Ca 0.31 1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 57.00 2vtx s LYS 82 Cb -0.01 0.14 0.40 0.00 -1.51 0.00 0.00 37.83 36.85 2vtx s LYS 82 CO 0.15 -0.15 1.68 -1.35 -0.36 0.00 0.00 175.35 175.33 2vtx h PRO 83 N 6.84 0.21 -0.03 4.03 0.11 -1.80 0.15 132.00 141.51 2vtx h PRO 83 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2vtx h PRO 83 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2vtx h PRO 83 CO 0.17 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 2vtx n SER 84 N -5.20 1.10 -0.06 -2.05 3.41 -1.26 -4.19 113.62 105.38 2vtx n SER 84 Ca 0.12 -1.41 -0.12 0.00 -0.26 0.00 0.00 58.87 57.20 2vtx n SER 84 Cb 0.42 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 2vtx n SER 84 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2vtx n ILE 85 N -0.12 0.77 -3.10 -1.33 2.08 -0.36 -5.02 119.36 112.27 2vtx n ILE 85 Ca 0.19 -0.11 0.02 0.00 0.56 0.00 0.00 62.75 63.42 2vtx n ILE 85 Cb 0.28 -1.70 -0.00 0.00 -0.75 0.00 0.00 39.64 37.46 2vtx n ILE 85 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2vtx s LEU 86 N -6.77 -1.20 0.00 1.39 2.96 0.40 -4.98 118.68 110.47 2vtx s LEU 86 Ca -0.17 -0.40 0.29 0.00 -0.22 0.00 0.00 54.13 53.64 2vtx s LEU 86 Cb 0.06 1.59 1.37 0.00 0.50 0.00 0.00 46.19 49.71 2vtx s LEU 86 CO 0.21 -0.16 1.94 -0.81 -1.32 0.00 0.00 176.35 176.22 2vtx n PRO 87 N 4.51 0.71 -3.61 0.98 -0.04 -1.23 -2.34 135.00 133.99 2vtx n PRO 87 Ca 0.09 -0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2vtx n PRO 87 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2vtx n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vtx s MET 88 N -2.41 1.06 0.03 0.54 0.23 -1.26 -1.43 119.30 116.06 2vtx s MET 88 Ca 0.32 -0.57 0.02 0.00 -1.03 0.00 0.00 55.69 54.43 2vtx s MET 88 Cb 0.20 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.96 2vtx s MET 88 CO 0.45 -0.41 -0.07 0.00 -2.03 0.00 0.00 175.02 172.96 2vtx s ALA 89 N -3.42 0.53 -0.14 3.16 0.00 -0.26 -4.99 121.76 116.64 2vtx s ALA 89 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 2vtx s ALA 89 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2vtx s ALA 89 CO -0.09 0.01 0.60 0.99 0.00 0.00 0.00 175.76 177.26 2vtx s THR 90 N -1.09 5.08 -0.19 0.00 2.01 -1.26 -1.64 115.64 118.55 2vtx s THR 90 Ca -0.07 1.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.94 2vtx s THR 90 Cb -0.08 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2vtx s THR 90 CO 0.00 0.21 0.38 -0.04 -0.69 0.00 0.00 174.62 174.49 2vtx s MET 91 N 1.23 4.19 -0.10 4.92 -1.94 0.32 -4.97 119.30 122.95 2vtx s MET 91 Ca 0.30 0.18 0.03 0.00 -1.71 0.00 0.00 55.69 54.49 2vtx s MET 91 Cb -0.16 -3.52 0.00 0.00 2.01 0.00 0.00 34.83 33.17 2vtx s MET 91 CO 0.12 0.01 -0.22 0.08 -0.01 0.00 0.00 175.02 175.01 2vtx s VAL 92 N 1.16 1.90 -0.11 -6.03 1.01 -1.26 -4.46 120.40 112.61 2vtx s VAL 92 Ca 0.19 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2vtx s VAL 92 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2vtx s VAL 92 CO 0.07 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2vtx n GLY 93 N 3.68 0.41 3.54 4.51 0.00 -1.26 -4.95 105.19 111.11 2vtx n GLY 93 Ca -0.20 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2vtx n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vtx s ILE 94 N -1.72 4.80 -0.10 -0.61 1.01 -1.26 -5.00 121.20 118.31 2vtx s ILE 94 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.03 2vtx s ILE 94 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2vtx s ILE 94 CO 0.00 -0.53 -0.13 -1.61 0.00 0.00 0.00 174.94 172.66 2vtx s GLU 95 N 2.91 2.00 -0.03 2.79 2.02 -1.26 -2.24 118.70 124.89 2vtx s GLU 95 Ca 0.25 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.79 2vtx s GLU 95 Cb -0.14 -1.75 0.01 0.00 0.10 0.00 0.00 34.13 32.35 2vtx s GLU 95 CO 0.19 -0.09 -0.10 -0.51 0.02 0.00 0.00 175.26 174.77 2vtx s LEU 96 N 1.06 1.74 -0.16 1.80 1.43 0.11 -4.96 118.68 119.70 2vtx s LEU 96 Ca -0.06 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 2vtx s LEU 96 Cb -0.15 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2vtx s LEU 96 CO -0.02 0.06 0.97 -1.81 0.23 0.00 0.00 176.35 175.78 2vtx s ASP 97 N 0.30 7.13 0.48 2.29 -0.00 -1.26 0.05 116.67 125.65 2vtx s ASP 97 Ca -0.05 1.39 -0.24 0.00 -0.00 0.00 0.00 52.55 53.65 2vtx s ASP 97 Cb -0.10 -2.52 -0.07 0.00 -0.00 0.00 0.00 42.92 40.22 2vtx s ASP 97 CO 0.01 -0.50 1.36 -2.84 -0.00 0.00 0.00 175.17 173.21 2vtx s PRO 98 N 2.38 3.56 -0.05 8.23 0.02 -1.26 -3.95 135.00 143.92 2vtx s PRO 98 Ca 0.44 2.27 -0.24 0.00 0.02 0.00 0.00 61.00 63.49 2vtx s PRO 98 Cb -0.17 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 2vtx s PRO 98 CO 0.13 -0.87 0.73 -1.25 -0.33 0.00 0.00 177.00 175.41 2vtx s PRO 99 N -2.58 4.45 0.01 5.54 0.04 -1.26 -5.06 135.00 136.14 2vtx s PRO 99 Ca 0.64 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.68 2vtx s PRO 99 Cb -0.41 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 2vtx s PRO 99 CO 0.51 0.07 -0.19 0.14 0.04 0.00 0.00 177.00 177.57 2vtx s VAL 100 N 0.74 1.55 -0.01 -0.36 -7.23 -0.42 -4.96 120.40 109.72 2vtx s VAL 100 Ca 0.39 -0.99 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2vtx s VAL 100 Cb -0.18 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 2vtx s VAL 100 CO 0.19 0.30 -0.20 0.42 -0.31 0.00 0.00 175.10 175.50 2vtx s THR 101 N -0.63 2.59 -0.26 5.32 -4.23 -1.20 0.32 115.64 117.55 2vtx s THR 101 Ca 0.07 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.45 2vtx s THR 101 Cb -0.08 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 2vtx s THR 101 CO 0.00 0.49 0.14 -0.36 -0.54 0.00 0.00 174.62 174.36 2vtx s PHE 102 N -0.76 3.19 -0.17 3.99 0.40 -0.63 -0.88 117.98 123.13 2vtx s PHE 102 Ca 0.12 -0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2vtx s PHE 102 Cb -0.10 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 2vtx s PHE 102 CO 0.02 -0.18 -0.08 0.50 0.70 0.00 0.00 175.22 176.18 2vtx s ARG 103 N 1.57 3.44 -1.10 0.44 3.52 -0.88 -2.12 118.95 123.81 2vtx s ARG 103 Ca 0.07 -0.63 -0.26 0.00 -0.13 0.00 0.00 55.73 54.78 2vtx s ARG 103 Cb -0.15 -2.83 -0.21 0.00 -1.56 0.00 0.00 34.95 30.20 2vtx s ARG 103 CO 0.08 0.06 2.09 -1.17 -0.81 0.00 0.00 175.30 175.54 2vtx s LEU 104 N 0.79 2.46 0.57 -0.88 2.96 0.17 -1.73 118.68 123.03 2vtx s LEU 104 Ca -0.03 -1.09 0.34 0.00 -0.22 0.00 0.00 54.13 53.13 2vtx s LEU 104 Cb -0.15 -2.60 1.72 0.00 0.50 0.00 0.00 46.19 45.66 2vtx s LEU 104 CO 0.01 -4.52 2.14 0.50 -1.32 0.00 0.00 176.35 173.16 2vtx h LYS 105 N 11.31 0.00 -3.05 1.98 3.64 -1.40 -3.43 116.57 125.62 2vtx h LYS 105 Ca 0.05 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2vtx h LYS 105 Cb 0.99 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.65 2vtx h LYS 105 CO 1.05 0.05 -0.09 0.00 -2.27 0.00 0.00 179.45 178.19 2vtx s ALA 106 N -4.02 -1.02 0.00 5.00 0.00 -1.17 -4.89 121.76 115.66 2vtx s ALA 106 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2vtx s ALA 106 Cb 0.12 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2vtx s ALA 106 CO 0.52 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2vtx n GLY 107 N 0.42 -0.39 0.00 0.00 0.00 -1.20 -1.98 105.19 102.04 2vtx n GLY 107 Ca -0.18 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.24 2vtx n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vtx n SER 108 N -1.18 0.77 -0.58 1.61 3.41 -1.26 -4.61 113.62 111.78 2vtx n SER 108 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2vtx n SER 108 Cb 0.00 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 2vtx n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vtx n GLY 109 N 1.43 -0.25 3.71 5.00 0.00 -1.26 -1.58 105.19 112.24 2vtx n GLY 109 Ca -0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2vtx n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vtx s PRO 110 N 0.00 4.19 -0.14 1.61 0.04 -1.26 -4.31 135.00 135.14 2vtx s PRO 110 Ca 0.00 2.41 0.01 0.00 0.04 0.00 0.00 61.00 63.46 2vtx s PRO 110 Cb 0.00 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.32 2vtx s PRO 110 CO 0.00 -0.66 -0.17 -1.17 0.04 0.00 0.00 177.00 175.04 2vtx s LEU 111 N 1.42 2.41 -0.08 -3.56 0.20 0.44 0.15 118.68 119.66 2vtx s LEU 111 Ca 0.72 -0.48 -0.06 0.00 0.69 0.00 0.00 54.13 55.01 2vtx s LEU 111 Cb -0.44 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 2vtx s LEU 111 CO 0.32 0.11 0.17 -0.31 -0.29 0.00 0.00 176.35 176.35 2vtx s TYR 112 N 0.64 3.59 -0.13 5.38 1.51 0.13 -0.56 117.35 127.92 2vtx s TYR 112 Ca -0.09 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.47 2vtx s TYR 112 Cb -0.16 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2vtx s TYR 112 CO 0.02 0.70 -0.16 0.42 -1.11 0.00 0.00 175.55 175.42 2vtx s ILE 113 N -1.14 2.72 0.32 2.71 1.01 -0.91 -1.19 121.20 124.72 2vtx s ILE 113 Ca 0.20 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.15 2vtx s ILE 113 Cb -0.12 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2vtx s ILE 113 CO 0.09 0.53 0.26 -0.94 0.00 0.00 0.00 174.94 174.89 2vtx s SER 114 N 0.45 5.32 -0.04 3.58 1.04 -0.20 -1.91 113.70 121.93 2vtx s SER 114 Ca -0.12 -0.45 -0.31 0.00 0.48 0.00 0.00 55.95 55.56 2vtx s SER 114 Cb -0.16 -1.06 0.12 0.00 0.10 0.00 0.00 66.02 65.01 2vtx s SER 114 CO 0.05 -0.28 1.33 -0.83 0.98 0.00 0.00 173.24 174.50 2vtx s GLY 115 N -3.95 -0.37 0.03 7.32 0.00 0.15 -2.07 107.32 108.43 2vtx s GLY 115 Ca 0.39 0.59 -0.01 0.00 0.00 0.00 0.00 44.72 45.69 2vtx s GLY 115 CO 0.26 1.70 -0.02 1.20 0.00 0.00 0.00 173.10 176.24 2vtx s GLN 116 N -2.21 0.41 0.24 2.90 -0.21 0.12 -0.13 119.66 120.78 2vtx s GLN 116 Ca 0.19 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.49 2vtx s GLN 116 Cb 0.04 0.15 -0.09 0.00 1.00 0.00 0.00 33.01 34.11 2vtx s GLN 116 CO -0.04 -0.07 0.94 -1.01 -2.12 0.00 0.00 175.29 172.99 2vtx s HIS 117 N -2.17 3.97 0.00 0.91 3.76 -1.21 -0.47 115.29 120.08 2vtx s HIS 117 Ca -0.09 1.91 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 2vtx s HIS 117 Cb -0.05 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2vtx s HIS 117 CO -0.04 0.42 0.00 0.28 -0.85 0.00 0.00 174.74 174.56