#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx n LEU 17 N 0.00 0.00 -4.73 -2.12 -0.00 -1.26 -4.89 117.00 104.00 2vtx n LEU 17 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 2vtx n LEU 17 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2vtx n LEU 17 CO 0.00 0.00 0.67 -0.51 -0.00 0.00 0.00 177.39 177.55 2vtx s ILE 18 N -0.78 4.41 0.09 1.47 1.10 -1.26 -3.57 121.20 122.65 2vtx s ILE 18 Ca 0.00 2.05 0.07 0.00 -0.51 0.00 0.00 60.65 62.27 2vtx s ILE 18 Cb 0.00 -4.31 -0.03 0.00 0.15 0.00 0.00 42.46 38.27 2vtx s ILE 18 CO 0.00 0.34 -0.19 0.86 -2.11 0.00 0.00 174.94 173.84 2vtx s TRP 19 N -0.18 1.64 -0.12 3.50 -0.00 0.30 -4.99 118.94 119.09 2vtx s TRP 19 Ca 0.46 -0.43 -0.29 0.00 -0.00 0.00 0.00 56.10 55.84 2vtx s TRP 19 Cb -0.24 -0.91 0.07 0.00 -0.00 0.00 0.00 33.47 32.40 2vtx s TRP 19 CO 0.30 0.16 0.71 0.20 -0.00 0.00 0.00 176.95 178.32 2vtx s GLY 20 N -1.83 -0.55 0.30 5.86 0.00 -1.26 0.36 107.32 110.20 2vtx s GLY 20 Ca 0.04 1.56 0.03 0.00 0.00 0.00 0.00 44.72 46.36 2vtx s GLY 20 CO 0.04 1.20 0.05 0.00 0.00 0.00 0.00 173.10 174.39 2vtx s GLU 22 N -3.91 2.06 0.02 0.00 2.12 -1.26 -2.20 118.70 115.54 2vtx s GLU 22 Ca 0.36 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 55.22 2vtx s GLU 22 Cb 0.08 -1.73 -0.03 0.00 0.26 0.00 0.00 34.13 32.71 2vtx s GLU 22 CO 0.14 -0.02 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.24 2vtx s LEU 23 N 0.84 3.00 0.00 2.70 1.43 -0.23 -4.95 118.68 121.47 2vtx s LEU 23 Ca -0.10 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2vtx s LEU 23 Cb -0.15 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.36 2vtx s LEU 23 CO 0.01 0.27 0.52 -0.46 0.23 0.00 0.00 176.35 176.92 2vtx n ASN 24 N 1.50 -1.50 -0.30 2.29 0.23 -0.56 -2.23 115.26 114.68 2vtx n ASN 24 Ca -0.15 -2.28 0.14 0.00 -0.53 0.00 0.00 54.58 51.75 2vtx n ASN 24 Cb 0.52 2.58 0.39 0.00 -2.08 0.00 0.00 39.78 41.19 2vtx n ASN 24 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2vtx h GLU 25 N 0.00 0.64 -0.87 -3.83 4.57 -1.44 -2.07 114.58 111.59 2vtx h GLU 25 Ca -0.24 -0.04 -0.30 0.00 -1.18 0.00 0.00 59.36 57.60 2vtx h GLU 25 Cb 0.92 -0.14 -0.18 0.00 -0.16 0.00 0.00 28.75 29.19 2vtx h GLU 25 CO 0.31 0.42 0.39 1.04 -1.18 0.00 0.00 179.01 179.99 2vtx n GLN 26 N -4.62 2.98 -2.65 1.92 3.00 -1.26 -4.46 117.38 112.28 2vtx n GLN 26 Ca 0.20 -2.76 -0.02 0.00 -0.01 0.00 0.00 57.00 54.41 2vtx n GLN 26 Cb 0.57 -2.11 0.10 0.00 0.00 0.00 0.00 30.24 28.80 2vtx n GLN 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2vtx n ASN 27 N -0.44 -1.02 -0.07 1.08 3.02 -0.81 -5.01 115.26 112.01 2vtx n ASN 27 Ca 0.44 -1.53 0.13 0.00 -0.03 0.00 0.00 54.58 53.59 2vtx n ASN 27 Cb 1.40 1.01 0.74 0.00 -0.61 0.00 0.00 39.78 42.33 2vtx n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vtx n LYS 28 N 0.38 1.09 -4.07 3.52 5.02 -0.99 -1.50 118.16 121.62 2vtx n LYS 28 Ca -0.11 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 55.94 2vtx n LYS 28 Cb 0.75 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 2vtx n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2vtx s THR 29 N -1.99 0.40 -0.25 -0.18 2.01 -1.26 -0.63 115.64 113.75 2vtx s THR 29 Ca 0.39 -1.32 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 2vtx s THR 29 Cb 0.18 -0.87 0.11 0.00 0.01 0.00 0.00 72.50 71.93 2vtx s THR 29 CO 0.31 -0.61 0.52 0.12 -0.69 0.00 0.00 174.62 174.27 2vtx s PHE 30 N -2.26 -1.06 -0.19 4.92 5.36 -0.39 -4.93 117.98 119.43 2vtx s PHE 30 Ca -0.05 1.87 -0.15 0.00 -0.96 0.00 0.00 56.93 57.65 2vtx s PHE 30 Cb -0.04 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.13 2vtx s PHE 30 CO -0.03 -0.58 0.37 -2.00 -1.46 0.00 0.00 175.22 171.52 2vtx s GLU 31 N 2.74 4.19 -0.43 10.12 2.12 -1.26 -1.80 118.70 134.38 2vtx s GLU 31 Ca -0.03 0.16 -0.14 0.00 0.36 0.00 0.00 54.97 55.32 2vtx s GLU 31 Cb -0.12 -3.51 0.04 0.00 0.26 0.00 0.00 34.13 30.80 2vtx s GLU 31 CO -0.16 0.03 0.32 0.12 -0.54 0.00 0.00 175.26 175.03 2vtx s PHE 32 N 1.11 3.25 0.03 5.30 5.36 -0.42 -5.01 117.98 127.59 2vtx s PHE 32 Ca 0.18 -0.80 0.08 0.00 -0.96 0.00 0.00 56.93 55.43 2vtx s PHE 32 Cb -0.14 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 2vtx s PHE 32 CO 0.07 -0.69 -0.22 0.15 -1.46 0.00 0.00 175.22 173.07 2vtx s LYS 33 N 1.64 1.57 0.08 10.12 3.01 -1.26 -2.32 119.74 132.57 2vtx s LYS 33 Ca 0.04 -0.95 0.00 0.00 -1.01 0.00 0.00 55.97 54.05 2vtx s LYS 33 Cb -0.21 -1.66 0.00 0.00 -1.01 0.00 0.00 37.83 34.95 2vtx s LYS 33 CO 0.08 0.43 0.00 1.33 0.51 0.00 0.00 175.35 177.70 2vtx n VAL 34 N 1.98-11.45 -0.75 3.17 0.24 -1.26 -5.09 118.33 105.17 2vtx n VAL 34 Ca -0.17 2.79 0.08 0.00 -2.04 0.00 0.00 64.34 65.00 2vtx n VAL 34 Cb 0.53 -5.14 -0.04 0.00 -1.47 0.00 0.00 33.84 27.71 2vtx n VAL 34 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2vtx n HIS 43 N 1.90 -2.02 -4.16 6.34 -0.00 -1.26 -5.14 115.22 110.88 2vtx n HIS 43 Ca 0.00 1.11 -0.16 0.00 -0.00 0.00 0.00 57.72 58.67 2vtx n HIS 43 Cb 0.00 -1.85 -0.12 0.00 -0.00 0.00 0.00 29.99 28.02 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 -3.82 0.69 -0.29 -0.41 -0.21 -1.26 -4.63 119.66 109.72 2vtx s GLN 44 Ca 0.00 -0.78 -0.14 0.00 0.02 0.00 0.00 55.36 54.45 2vtx s GLN 44 Cb 0.00 -0.60 -0.03 0.00 1.00 0.00 0.00 33.01 33.38 2vtx s GLN 44 CO 0.00 0.13 0.34 -1.17 -2.12 0.00 0.00 175.29 172.47 2vtx s LEU 45 N -1.45 4.16 -0.33 2.90 2.96 0.99 -1.76 118.68 126.15 2vtx s LEU 45 Ca -0.04 0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.75 2vtx s LEU 45 Cb -0.09 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 2vtx s LEU 45 CO 0.01 -0.21 0.61 0.00 -1.32 0.00 0.00 176.35 175.44 2vtx s ALA 46 N 2.00 3.50 0.53 5.97 0.00 0.52 0.89 121.76 135.17 2vtx s ALA 46 Ca 0.13 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 2vtx s ALA 46 Cb -0.16 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2vtx s ALA 46 CO 0.11 -1.17 1.13 -0.51 0.00 0.00 0.00 175.76 175.32 2vtx s LEU 47 N 2.59 3.79 0.03 0.00 1.43 -0.66 -0.68 118.68 125.18 2vtx s LEU 47 Ca 0.24 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 2vtx s LEU 47 Cb -0.15 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.54 2vtx s LEU 47 CO 0.13 -1.18 0.00 0.54 0.23 0.00 0.00 176.35 176.07 2vtx n ARG 48 N -1.18 0.00 -4.00 1.70 5.12 0.13 -4.68 116.66 113.75 2vtx n ARG 48 Ca 0.11 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.95 2vtx n ARG 48 Cb 0.51 -0.35 -0.09 0.00 -1.16 0.00 0.00 32.46 31.36 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 -2.00 0.18 -0.04 0.55 -4.23 -1.20 -0.21 115.64 108.69 2vtx s THR 49 Ca 0.00 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 2vtx s THR 49 Cb 0.00 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2vtx s THR 49 CO 0.00 -0.82 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.47 2vtx s VAL 50 N -3.90 0.95 0.10 2.29 1.01 -0.48 -0.60 120.40 119.76 2vtx s VAL 50 Ca 0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2vtx s VAL 50 Cb 0.07 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.64 2vtx s VAL 50 CO -0.10 0.29 0.42 0.00 0.00 0.00 0.00 175.10 175.72 2vtx s LEU 52 N -2.49 4.33 0.69 0.00 1.43 -0.45 -0.89 118.68 121.30 2vtx s LEU 52 Ca -0.00 0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2vtx s LEU 52 Cb 0.01 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.24 2vtx s LEU 52 CO -0.08 0.16 1.06 -0.83 0.23 0.00 0.00 176.35 176.89 2vtx s GLY 53 N -1.91 1.66 0.28 -3.19 0.00 0.17 -4.95 107.32 99.39 2vtx s GLY 53 Ca 0.34 0.05 0.25 0.00 0.00 0.00 0.00 44.72 45.35 2vtx s GLY 53 CO 0.19 0.36 1.75 1.29 0.00 0.00 0.00 173.10 176.69 2vtx h ASP 54 N -0.69 0.00 -0.69 1.64 2.03 -1.98 -1.28 116.42 115.45 2vtx h ASP 54 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2vtx h ASP 54 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2vtx h ASP 54 CO 0.58 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.08 2vtx n LYS 55 N -2.34 2.60 -1.81 4.15 4.76 -1.26 -4.99 118.16 119.27 2vtx n LYS 55 Ca 0.03 -2.49 -0.38 0.00 -2.87 0.00 0.00 58.31 52.60 2vtx n LYS 55 Cb 0.28 -1.54 0.04 0.00 -1.84 0.00 0.00 35.03 31.97 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vtx s ALA 56 N -1.08 2.73 0.84 7.82 0.00 -0.48 -4.84 121.76 126.75 2vtx s ALA 56 Ca 0.46 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 2vtx s ALA 56 Cb 0.24 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.91 2vtx s ALA 56 CO 0.32 -1.37 1.09 0.15 0.00 0.00 0.00 175.76 175.95 2vtx s LYS 57 N -3.00 1.69 -1.27 0.00 1.02 -1.26 -4.88 119.74 112.02 2vtx s LYS 57 Ca 0.73 0.97 -0.11 0.00 0.02 0.00 0.00 55.97 57.58 2vtx s LYS 57 Cb -0.39 -1.85 0.16 0.00 -0.52 0.00 0.00 37.83 35.23 2vtx s LYS 57 CO 0.45 -1.98 1.78 -3.47 -0.92 0.00 0.00 175.35 171.21 2vtx n ASP 58 N -3.73 5.05 -4.17 2.83 4.64 -1.26 -4.65 116.55 115.26 2vtx n ASP 58 Ca 0.08 -3.06 -0.11 0.00 -1.38 0.00 0.00 54.79 50.32 2vtx n ASP 58 Cb 0.54 -1.52 -0.10 0.00 -1.04 0.00 0.00 41.12 39.01 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 0.96 1.13 0.12 -0.67 -1.05 -1.26 -4.95 118.70 112.98 2vtx s GLU 59 Ca 0.41 -1.54 -0.30 0.00 -0.15 0.00 0.00 54.97 53.39 2vtx s GLU 59 Cb 0.07 0.27 -0.07 0.00 -0.44 0.00 0.00 34.13 33.96 2vtx s GLU 59 CO 0.00 -0.36 1.19 -0.06 0.95 0.00 0.00 175.26 176.98 2vtx s PHE 60 N -4.11 3.45 -0.12 4.83 0.40 -1.26 -4.32 117.98 116.85 2vtx s PHE 60 Ca 0.33 1.38 -0.01 0.00 -0.60 0.00 0.00 56.93 58.03 2vtx s PHE 60 Cb 0.07 -3.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.17 2vtx s PHE 60 CO 0.08 -1.18 -0.10 -1.01 0.70 0.00 0.00 175.22 173.71 2vtx s HIS 61 N 0.47 2.86 -0.11 0.36 3.76 0.13 -3.30 115.29 119.46 2vtx s HIS 61 Ca 0.55 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.02 2vtx s HIS 61 Cb -0.31 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.55 2vtx s HIS 61 CO 0.33 -0.09 -0.16 0.42 -0.85 0.00 0.00 174.74 174.38 2vtx s ILE 62 N 0.16 1.57 -0.06 0.60 1.01 -0.97 -0.98 121.20 122.53 2vtx s ILE 62 Ca -0.06 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2vtx s ILE 62 Cb -0.15 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 2vtx s ILE 62 CO 0.04 0.46 -0.17 0.54 0.00 0.00 0.00 174.94 175.81 2vtx s VAL 63 N 0.92 2.80 0.20 2.92 0.11 -0.85 -0.70 120.40 125.80 2vtx s VAL 63 Ca -0.08 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.23 2vtx s VAL 63 Cb -0.15 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.56 2vtx s VAL 63 CO -0.01 0.57 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.42 2vtx s GLU 64 N -0.40 1.26 -0.19 1.54 -1.05 0.54 -1.65 118.70 118.75 2vtx s GLU 64 Ca 0.04 -1.59 -0.08 0.00 -0.15 0.00 0.00 54.97 53.20 2vtx s GLU 64 Cb -0.12 -0.84 -0.04 0.00 -0.44 0.00 0.00 34.13 32.69 2vtx s GLU 64 CO 0.02 0.06 0.08 0.42 0.95 0.00 0.00 175.26 176.79 2vtx s ILE 65 N -3.20 4.84 -0.12 1.83 1.01 -0.54 -1.33 121.20 123.68 2vtx s ILE 65 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2vtx s ILE 65 Cb 0.02 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2vtx s ILE 65 CO 0.06 0.44 -0.08 -0.69 0.00 0.00 0.00 174.94 174.66 2vtx s VAL 66 N 0.53 3.49 0.00 2.92 1.01 -0.71 -1.02 120.40 126.62 2vtx s VAL 66 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2vtx s VAL 66 Cb -0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2vtx s VAL 66 CO 0.01 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 174.74 2vtx n ASP 67 N 3.16 0.00 -2.00 3.32 5.68 -1.26 -2.85 116.55 122.60 2vtx n ASP 67 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 2vtx n ASP 67 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2vtx n ASP 67 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2vtx n LYS 74 N 0.00 -5.42 -4.01 0.11 2.85 -1.26 -5.14 118.16 105.30 2vtx n LYS 74 Ca 0.00 3.85 -0.35 0.00 -1.05 0.00 0.00 58.31 60.76 2vtx n LYS 74 Cb 0.00 -4.13 -0.13 0.00 -0.65 0.00 0.00 35.03 30.12 2vtx n LYS 74 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2vtx s SER 75 N -0.62 4.87 -0.32 -5.58 0.15 -1.26 -4.98 113.70 105.97 2vtx s SER 75 Ca 0.00 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.48 2vtx s SER 75 Cb 0.00 -1.84 0.09 0.00 -1.71 0.00 0.00 66.02 62.56 2vtx s SER 75 CO 0.00 0.05 0.01 -0.69 1.20 0.00 0.00 173.24 173.80 2vtx s VAL 76 N 1.11 2.21 0.37 4.45 1.01 -0.19 -4.99 120.40 124.37 2vtx s VAL 76 Ca 0.03 -2.13 -0.28 0.00 0.00 0.00 0.00 61.98 59.60 2vtx s VAL 76 Cb -0.14 -2.55 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 2vtx s VAL 76 CO 0.02 -0.45 1.36 -2.65 0.00 0.00 0.00 175.10 173.38 2vtx n PRO 77 N 4.31 2.29 0.00 2.72 -0.02 -1.26 -1.47 135.00 141.57 2vtx n PRO 77 Ca -0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2vtx n PRO 77 Cb 0.42 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2vtx n PRO 77 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2vtx n ILE 78 N 0.29 0.00 -3.80 4.25 -5.35 -0.66 -4.92 119.36 109.17 2vtx n ILE 78 Ca 0.04 -0.10 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 2vtx n ILE 78 Cb 0.37 0.71 -0.11 0.00 -1.74 0.00 0.00 39.64 38.87 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 -0.41 -0.57 -0.09 -1.28 0.00 -1.15 -5.00 121.76 113.25 2vtx s ALA 79 Ca 0.00 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2vtx s ALA 79 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2vtx s ALA 79 CO 0.00 -0.13 -0.11 0.99 0.00 0.00 0.00 175.76 176.52 2vtx s THR 80 N -0.10 1.12 0.04 0.00 2.01 -1.26 -2.00 115.64 115.45 2vtx s THR 80 Ca -0.02 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 2vtx s THR 80 Cb -0.02 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2vtx s THR 80 CO 0.01 0.37 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.52 2vtx s LEU 81 N 1.13 2.40 -0.25 4.42 1.43 -0.16 -4.97 118.68 122.69 2vtx s LEU 81 Ca -0.06 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.08 2vtx s LEU 81 Cb -0.14 0.18 0.08 0.00 0.03 0.00 0.00 46.19 46.34 2vtx s LEU 81 CO -0.02 -0.51 0.60 -0.75 0.23 0.00 0.00 176.35 175.90 2vtx s LYS 82 N -3.13 0.59 0.26 1.70 2.20 -0.12 0.17 119.74 121.39 2vtx s LYS 82 Ca -0.00 1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.72 2vtx s LYS 82 Cb 0.02 0.21 0.52 0.00 -1.51 0.00 0.00 37.83 37.07 2vtx s LYS 82 CO -0.07 -0.17 1.72 -1.35 -0.36 0.00 0.00 175.35 175.12 2vtx h PRO 83 N 7.24 0.42 -0.38 4.03 0.11 -1.78 0.41 132.00 142.05 2vtx h PRO 83 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2vtx h PRO 83 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2vtx h PRO 83 CO 0.18 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 2vtx n SER 84 N -5.02 2.38 0.03 -2.05 3.41 -1.26 -4.24 113.62 106.87 2vtx n SER 84 Ca 0.16 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2vtx n SER 84 Cb 0.47 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.79 0.54 -3.30 -1.33 2.08 -0.34 -5.04 119.36 112.77 2vtx n ILE 85 Ca 0.16 0.18 -0.06 0.00 0.56 0.00 0.00 62.75 63.59 2vtx n ILE 85 Cb 0.40 -1.47 -0.06 0.00 -0.75 0.00 0.00 39.64 37.76 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 -6.44 -0.85 0.00 1.39 2.96 0.13 -4.96 118.68 110.91 2vtx s LEU 86 Ca 0.00 0.31 0.26 0.00 -0.22 0.00 0.00 54.13 54.48 2vtx s LEU 86 Cb 0.00 1.38 0.69 0.00 0.50 0.00 0.00 46.19 48.76 2vtx s LEU 86 CO 0.00 -0.30 1.52 -0.81 -1.32 0.00 0.00 176.35 175.45 2vtx n PRO 87 N 5.38 0.74 -3.77 0.98 -0.04 -1.23 -0.95 135.00 136.11 2vtx n PRO 87 Ca -0.02 -0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 62.90 2vtx n PRO 87 Cb 0.50 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.57 1.44 0.02 0.54 0.23 -1.26 -1.34 119.30 116.36 2vtx s MET 88 Ca 0.22 -0.91 0.00 0.00 -1.03 0.00 0.00 55.69 53.97 2vtx s MET 88 Cb 0.19 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 34.00 2vtx s MET 88 CO 0.55 -0.62 -0.03 0.00 -2.03 0.00 0.00 175.02 172.89 2vtx s ALA 89 N -3.89 0.17 -0.13 3.16 0.00 -0.52 -5.02 121.76 115.53 2vtx s ALA 89 Ca 0.11 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 2vtx s ALA 89 Cb -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2vtx s ALA 89 CO -0.01 -0.15 0.49 0.99 0.00 0.00 0.00 175.76 177.08 2vtx s THR 90 N -1.48 5.17 -0.14 0.00 2.01 -1.26 -1.38 115.64 118.57 2vtx s THR 90 Ca -0.15 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 2vtx s THR 90 Cb -0.10 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2vtx s THR 90 CO -0.01 0.30 0.05 -0.04 -0.69 0.00 0.00 174.62 174.23 2vtx s MET 91 N 0.79 3.57 -0.08 4.92 -1.94 0.70 -4.96 119.30 122.31 2vtx s MET 91 Ca 0.26 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.91 2vtx s MET 91 Cb -0.15 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.65 2vtx s MET 91 CO 0.10 0.47 -0.12 0.08 -0.01 0.00 0.00 175.02 175.55 2vtx s VAL 92 N -0.21 1.16 0.00 -6.03 1.01 -1.26 -4.46 120.40 110.60 2vtx s VAL 92 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2vtx s VAL 92 Cb -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2vtx s VAL 92 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2vtx n GLY 93 N 4.05 1.20 3.52 4.51 0.00 -1.26 -4.97 105.19 112.23 2vtx n GLY 93 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.64 4.45 -0.09 -0.61 1.01 -1.26 -5.00 121.20 116.06 2vtx s ILE 94 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2vtx s ILE 94 Cb 0.00 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2vtx s ILE 94 CO 0.00 -1.06 -0.20 -1.61 0.00 0.00 0.00 174.94 172.06 2vtx s GLU 95 N 3.78 2.65 0.00 2.79 2.02 -1.26 -1.65 118.70 127.04 2vtx s GLU 95 Ca 0.29 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.59 2vtx s GLU 95 Cb -0.13 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 2vtx s GLU 95 CO 0.19 0.12 -0.16 -0.51 0.02 0.00 0.00 175.26 174.92 2vtx s LEU 96 N 0.46 2.07 -0.15 1.80 1.43 0.26 -4.91 118.68 119.65 2vtx s LEU 96 Ca -0.17 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 2vtx s LEU 96 Cb -0.17 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2vtx s LEU 96 CO 0.07 0.17 0.68 -1.81 0.23 0.00 0.00 176.35 175.69 2vtx s ASP 97 N -0.62 6.83 0.50 2.29 1.01 -1.26 -0.01 116.67 125.42 2vtx s ASP 97 Ca 0.06 1.01 -0.22 0.00 0.71 0.00 0.00 52.55 54.10 2vtx s ASP 97 Cb -0.07 -2.38 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 2vtx s ASP 97 CO 0.00 -0.23 1.22 -2.16 0.21 0.00 0.00 175.17 174.21 2vtx s PRO 98 N 1.53 3.47 0.03 8.23 0.04 -1.26 -4.37 135.00 142.68 2vtx s PRO 98 Ca 0.33 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 2vtx s PRO 98 Cb -0.16 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 2vtx s PRO 98 CO 0.13 -0.82 0.37 -1.25 0.04 0.00 0.00 177.00 175.47 2vtx s PRO 99 N -2.86 3.77 0.00 0.56 0.04 -1.26 -4.94 135.00 130.31 2vtx s PRO 99 Ca 0.68 0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.95 2vtx s PRO 99 Cb -0.32 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2vtx s PRO 99 CO 0.38 0.64 -0.06 0.14 0.04 0.00 0.00 177.00 178.13 2vtx s VAL 100 N -1.24 0.46 -0.12 -0.36 -7.23 -0.98 -4.93 120.40 106.00 2vtx s VAL 100 Ca 0.28 -0.37 -0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2vtx s VAL 100 Cb -0.15 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 2vtx s VAL 100 CO 0.15 0.05 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.99 2vtx s THR 101 N -0.32 3.34 -0.20 5.32 2.01 -1.13 -1.30 115.64 123.35 2vtx s THR 101 Ca 0.00 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 2vtx s THR 101 Cb -0.03 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2vtx s THR 101 CO -0.00 0.53 0.45 -0.36 -0.69 0.00 0.00 174.62 174.55 2vtx s PHE 102 N 0.11 3.38 -0.04 4.92 0.40 -0.74 -1.73 117.98 124.27 2vtx s PHE 102 Ca -0.04 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.03 2vtx s PHE 102 Cb -0.14 -2.59 -0.02 0.00 0.51 0.00 0.00 43.02 40.77 2vtx s PHE 102 CO 0.04 -0.04 -0.18 0.50 0.70 0.00 0.00 175.22 176.23 2vtx s ARG 103 N 1.42 2.38 -0.73 0.44 3.52 -0.44 -1.26 118.95 124.29 2vtx s ARG 103 Ca 0.21 -0.77 -0.24 0.00 -0.13 0.00 0.00 55.73 54.80 2vtx s ARG 103 Cb -0.15 -2.27 0.06 0.00 -1.56 0.00 0.00 34.95 31.03 2vtx s ARG 103 CO 0.09 0.60 1.12 -1.17 -0.81 0.00 0.00 175.30 175.13 2vtx s LEU 104 N -0.68 3.92 0.22 -0.88 2.96 0.20 -0.34 118.68 124.08 2vtx s LEU 104 Ca 0.11 -0.88 0.08 0.00 -0.22 0.00 0.00 54.13 53.22 2vtx s LEU 104 Cb -0.10 -2.48 0.17 0.00 0.50 0.00 0.00 46.19 44.28 2vtx s LEU 104 CO 0.00 -1.57 1.50 0.50 -1.32 0.00 0.00 176.35 175.46 2vtx h LYS 105 N 9.71 0.05 -3.54 1.98 3.64 -1.23 -3.45 116.57 123.72 2vtx h LYS 105 Ca -0.23 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.02 2vtx h LYS 105 Cb 1.06 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.73 2vtx h LYS 105 CO 1.23 0.76 -0.29 0.00 -2.27 0.00 0.00 179.45 178.88 2vtx s ALA 106 N -3.37 -0.51 0.00 5.00 0.00 -1.14 -4.91 121.76 116.83 2vtx s ALA 106 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2vtx s ALA 106 Cb 0.12 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2vtx s ALA 106 CO 0.79 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2vtx n GLY 107 N 0.23 -0.99 0.04 0.00 0.00 -1.21 -2.30 105.19 100.96 2vtx n GLY 107 Ca -0.17 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.27 2vtx n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vtx n SER 108 N -1.44 0.48 0.00 1.61 7.64 -1.26 -4.70 113.62 115.94 2vtx n SER 108 Ca 0.00 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2vtx n SER 108 Cb 0.00 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 2vtx n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vtx n GLY 109 N 1.07 -2.53 3.73 0.23 0.00 -1.26 -1.20 105.19 105.23 2vtx n GLY 109 Ca 0.02 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2vtx n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2vtx s PRO 110 N -0.77 4.24 -0.07 1.61 0.02 -1.26 -4.26 135.00 134.51 2vtx s PRO 110 Ca 0.00 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.37 2vtx s PRO 110 Cb 0.00 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.40 2vtx s PRO 110 CO 0.00 -0.52 -0.14 -1.17 -0.33 0.00 0.00 177.00 174.84 2vtx s LEU 111 N 0.39 1.73 -0.09 -5.54 0.20 -0.95 0.45 118.68 114.87 2vtx s LEU 111 Ca 0.65 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.13 2vtx s LEU 111 Cb -0.43 -0.94 -0.02 0.00 -0.43 0.00 0.00 46.19 44.37 2vtx s LEU 111 CO 0.37 0.06 -0.11 -0.31 -0.29 0.00 0.00 176.35 176.07 2vtx s TYR 112 N 0.62 2.83 -0.03 5.38 1.51 -0.07 -1.06 117.35 126.52 2vtx s TYR 112 Ca -0.15 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 2vtx s TYR 112 Cb -0.16 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2vtx s TYR 112 CO 0.04 0.07 -0.08 0.42 -1.11 0.00 0.00 175.55 174.89 2vtx s ILE 113 N -0.28 3.58 0.16 2.71 1.01 -0.93 -1.58 121.20 125.86 2vtx s ILE 113 Ca 0.03 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.09 2vtx s ILE 113 Cb -0.13 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2vtx s ILE 113 CO 0.03 0.51 -0.13 -0.94 0.00 0.00 0.00 174.94 174.40 2vtx s SER 114 N -1.07 2.14 0.00 3.58 1.04 0.23 -1.69 113.70 117.94 2vtx s SER 114 Ca 0.14 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 2vtx s SER 114 Cb -0.11 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.97 2vtx s SER 114 CO 0.04 -0.22 0.47 0.61 0.98 0.00 0.00 173.24 175.12 2vtx n GLY 115 N -0.06 0.57 3.24 7.32 0.00 0.16 -0.69 105.19 115.73 2vtx n GLY 115 Ca -0.11 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2vtx n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vtx s GLN 116 N -2.01 0.41 0.44 1.61 -0.21 0.14 -0.54 119.66 119.50 2vtx s GLN 116 Ca 0.11 0.50 -0.24 0.00 0.02 0.00 0.00 55.36 55.75 2vtx s GLN 116 Cb -0.00 0.19 -0.08 0.00 1.00 0.00 0.00 33.01 34.12 2vtx s GLN 116 CO 0.00 -0.05 1.19 -1.01 -2.12 0.00 0.00 175.29 173.30 2vtx s HIS 117 N 0.23 2.92 0.00 0.91 3.76 -1.23 -0.36 115.29 121.52 2vtx s HIS 117 Ca -0.00 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 2vtx s HIS 117 Cb -0.03 -3.43 0.00 0.00 1.11 0.00 0.00 32.58 30.23 2vtx s HIS 117 CO 0.00 -1.55 0.00 1.55 -0.85 0.00 0.00 174.74 173.89