#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ybx h ILE 13 N 0.00 1.35 -0.81 2.41 2.04 -2.05 -3.04 117.51 117.41 1ybx h ILE 13 Ca 0.00 -2.46 0.08 0.00 1.00 0.00 0.00 64.86 63.49 1ybx h ILE 13 Cb 0.00 3.01 -0.07 0.00 -0.74 0.00 0.00 36.82 39.03 1ybx h ILE 13 CO 0.00 0.68 0.47 -0.55 0.00 0.00 0.00 178.15 178.75 1ybx h ASN 14 N -0.44 0.68 0.23 1.72 7.08 -2.05 -0.89 115.58 121.91 1ybx h ASN 14 Ca -0.19 0.04 -0.14 0.00 -3.08 0.00 0.00 56.30 52.93 1ybx h ASN 14 Cb 1.60 -0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 37.74 1ybx h ASN 14 CO 0.09 0.40 -0.52 0.78 -2.08 0.00 0.00 177.43 176.10 1ybx h ASN 15 N 0.80 0.35 -0.59 6.14 2.35 -2.00 -0.98 115.58 121.65 1ybx h ASN 15 Ca 0.38 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1ybx h ASN 15 Cb 0.31 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1ybx h ASN 15 CO -0.23 0.81 0.11 0.25 -1.65 0.00 0.00 177.43 176.72 1ybx h LEU 16 N 0.25 0.93 0.09 1.61 5.85 -1.32 0.24 115.31 122.97 1ybx h LEU 16 Ca 0.01 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1ybx h LEU 16 Cb 1.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1ybx h LEU 16 CO 0.09 0.95 -0.04 0.58 -0.34 0.00 0.00 178.44 179.67 1ybx h VAL 17 N 0.88 0.92 -0.78 1.05 2.07 -0.85 -1.66 116.25 117.87 1ybx h VAL 17 Ca 0.18 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1ybx h VAL 17 Cb 0.41 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 1ybx h VAL 17 CO 0.01 0.01 0.42 0.11 0.02 0.00 0.00 177.57 178.14 1ybx h LYS 18 N -0.14 0.66 -0.07 1.57 6.56 -1.10 -1.11 116.57 122.94 1ybx h LYS 18 Ca -0.01 -0.04 -0.23 0.00 -1.06 0.00 0.00 60.65 59.31 1ybx h LYS 18 Cb 0.11 -0.15 0.01 0.00 -0.57 0.00 0.00 32.23 31.63 1ybx h LYS 18 CO 0.02 0.44 -0.87 1.96 -2.06 0.00 0.00 179.45 178.94 1ybx h GLN 19 N 0.68 0.60 -0.44 3.15 7.50 -0.81 -1.66 115.11 124.13 1ybx h GLN 19 Ca 0.39 -0.56 -0.14 0.00 0.50 0.00 0.00 58.65 58.84 1ybx h GLN 19 Cb 0.42 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 1ybx h GLN 19 CO -0.28 1.18 -0.28 0.00 -1.50 0.00 0.00 178.83 177.95 1ybx h ALA 20 N 0.65 0.67 -0.42 3.87 0.00 -1.20 -3.06 119.26 119.77 1ybx h ALA 20 Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1ybx h ALA 20 Cb 1.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1ybx h ALA 20 CO 0.16 0.67 0.17 1.96 0.00 0.00 0.00 179.25 182.22 1ybx h GLN 21 N 0.81 0.63 -0.79 0.00 4.20 -1.18 -1.31 115.11 117.46 1ybx h GLN 21 Ca 0.09 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ybx h GLN 21 Cb 0.86 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1ybx h GLN 21 CO 0.08 0.58 0.00 1.17 -0.67 0.00 0.00 178.83 179.99 1ybx n LYS 22 N -4.63 0.00 0.00 1.46 4.81 -0.63 -1.41 118.16 117.76 1ybx n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ybx n LYS 22 Cb 0.15 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1ybx n LYS 22 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1ybx n GLN 24 N 0.66 0.00 0.04 1.64 7.27 -0.50 -1.25 117.38 125.24 1ybx n GLN 24 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1ybx n GLN 24 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 1ybx n GLN 24 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 1ybx h ARG 25 N 0.00 0.45 -0.87 3.69 0.11 -1.52 -1.97 114.38 114.27 1ybx h ARG 25 Ca 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1ybx h ARG 25 Cb 0.00 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1ybx h ARG 25 CO 0.00 0.95 0.00 -0.25 0.10 0.00 0.00 179.97 180.77 1ybx n ASP 26 N -3.88 0.37 0.00 0.08 8.00 -0.38 -0.93 116.55 119.81 1ybx n ASP 26 Ca -0.04 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1ybx n ASP 26 Cb 0.67 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1ybx n ASP 26 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ybx n GLU 28 N 0.61 0.00 -0.17 -1.24 2.13 -0.74 -0.88 120.64 120.34 1ybx n GLU 28 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1ybx n GLU 28 Cb 0.07 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.79 1ybx n GLU 28 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ybx h ARG 29 N 0.00 0.75 -0.26 5.31 2.43 -1.30 -2.32 114.38 118.99 1ybx h ARG 29 Ca 0.00 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1ybx h ARG 29 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1ybx h ARG 29 CO 0.00 0.69 -0.02 0.28 -1.51 0.00 0.00 179.97 179.41 1ybx h VAL 30 N 0.66 1.26 -0.56 0.20 2.07 -1.26 -1.23 116.25 117.39 1ybx h VAL 30 Ca 0.16 -0.95 0.11 0.00 0.82 0.00 0.00 66.70 66.84 1ybx h VAL 30 Cb 0.23 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 1ybx h VAL 30 CO -0.01 0.30 -0.07 1.56 0.02 0.00 0.00 177.57 179.38 1ybx h GLN 31 N 0.23 0.06 -0.39 1.57 7.50 -1.79 -0.86 115.11 121.43 1ybx h GLN 31 Ca 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1ybx h GLN 31 Cb 0.45 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 1ybx h GLN 31 CO 0.02 0.04 0.25 0.93 -1.50 0.00 0.00 178.83 178.57 1ybx h GLU 32 N 0.06 0.52 -0.39 1.46 3.07 -1.11 -3.02 114.58 115.16 1ybx h GLU 32 Ca 0.28 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 1ybx h GLU 32 Cb 0.44 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1ybx h GLU 32 CO -0.53 0.35 -0.14 0.93 -1.40 0.00 0.00 179.01 178.23 1ybx h GLU 33 N 0.52 0.72 0.00 2.33 5.08 -0.75 -2.97 114.58 119.51 1ybx h GLU 33 Ca 0.14 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1ybx h GLU 33 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ybx h GLU 33 CO -0.03 0.82 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.66 1ybx h LEU 34 N 0.65 0.00 -1.32 1.33 3.38 -1.04 -0.64 115.31 117.66 1ybx h LEU 34 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ybx h LEU 34 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ybx h LEU 34 CO 0.04 0.07 0.04 0.11 0.09 0.00 0.00 178.44 178.79 1ybx h LYS 35 N 0.00 0.49 0.00 1.13 1.57 -1.49 0.20 116.57 118.47 1ybx h LYS 35 Ca -0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1ybx h LYS 35 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1ybx h LYS 35 CO 0.01 0.49 -1.84 0.39 -0.57 0.00 0.00 179.45 177.93 1ybx n GLU 36 N -4.32 0.66 -2.21 3.15 1.02 -0.92 -4.59 120.64 113.42 1ybx n GLU 36 Ca 0.02 -0.13 -0.38 0.00 -0.02 0.00 0.00 57.16 56.64 1ybx n GLU 36 Cb 0.21 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 1ybx n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ybx s LYS 37 N -3.08 3.81 0.20 3.49 1.02 -0.29 -4.90 119.74 119.99 1ybx s LYS 37 Ca -0.07 1.86 0.08 0.00 0.02 0.00 0.00 55.97 57.86 1ybx s LYS 37 Cb 0.10 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1ybx s LYS 37 CO 0.71 -0.53 -0.15 0.95 -0.92 0.00 0.00 175.35 175.41 1ybx s THR 38 N -1.47 1.75 0.18 2.17 -4.23 -1.26 -1.38 115.64 111.41 1ybx s THR 38 Ca 0.62 -2.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 1ybx s THR 38 Cb -0.31 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1ybx s THR 38 CO 0.38 -0.57 -0.13 0.68 -0.54 0.00 0.00 174.62 174.44 1ybx s VAL 39 N -2.88 1.54 0.02 2.29 -7.23 0.05 -4.96 120.40 109.24 1ybx s VAL 39 Ca 0.22 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1ybx s VAL 39 Cb -0.01 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1ybx s VAL 39 CO 0.07 -0.62 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.44 1ybx s GLU 40 N -3.58 0.68 0.04 4.82 2.12 -1.26 -1.35 118.70 120.17 1ybx s GLU 40 Ca 0.20 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.95 1ybx s GLU 40 Cb -0.00 -0.62 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 1ybx s GLU 40 CO 0.05 0.15 0.02 0.00 -0.54 0.00 0.00 175.26 174.94 1ybx s ALA 41 N -0.71 0.18 0.07 6.30 0.00 -0.15 -4.90 121.76 122.55 1ybx s ALA 41 Ca -0.01 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1ybx s ALA 41 Cb -0.06 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1ybx s ALA 41 CO 0.00 -0.29 -0.09 0.45 0.00 0.00 0.00 175.76 175.83 1ybx s SER 42 N -2.21 1.18 0.16 0.00 0.15 -1.26 -0.26 113.70 111.46 1ybx s SER 42 Ca -0.04 -0.72 -0.04 0.00 0.70 0.00 0.00 55.95 55.85 1ybx s SER 42 Cb -0.01 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1ybx s SER 42 CO -0.05 -0.25 0.15 0.00 1.20 0.00 0.00 173.24 174.28 1ybx s ALA 43 N -2.10 0.67 -1.38 5.45 0.00 -0.15 -4.72 121.76 119.53 1ybx s ALA 43 Ca -0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 1ybx s ALA 43 Cb -0.05 1.00 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1ybx s ALA 43 CO -0.00 -0.57 1.03 0.41 0.00 0.00 0.00 175.76 176.63 1ybx n GLY 44 N -0.18 -0.52 2.42 0.00 0.00 -1.26 -1.65 105.19 104.00 1ybx n GLY 44 Ca -0.04 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ybx n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybx n GLY 45 N -1.88 -0.02 1.10 -0.02 0.00 -1.26 -2.33 105.19 100.78 1ybx n GLY 45 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ybx n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybx n GLY 46 N -1.16 0.89 0.22 -0.02 0.00 -1.17 -4.97 105.19 98.98 1ybx n GLY 46 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1ybx n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ybx h ALA 47 N 0.00 1.49 -3.31 4.61 0.00 -1.01 -3.41 119.26 117.63 1ybx h ALA 47 Ca 0.00 -0.25 -0.55 0.00 0.00 0.00 0.00 54.91 54.12 1ybx h ALA 47 Cb 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 17.38 1ybx h ALA 47 CO 0.00 0.37 -0.82 0.08 0.00 0.00 0.00 179.25 178.88 1ybx s VAL 48 N -4.52 1.27 -0.07 0.00 1.01 -0.66 -0.84 120.40 116.59 1ybx s VAL 48 Ca -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ybx s VAL 48 Cb 0.15 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1ybx s VAL 48 CO 0.73 0.39 -0.13 -0.89 0.00 0.00 0.00 175.10 175.20 1ybx s THR 49 N 0.99 1.19 -0.07 3.92 2.01 -0.25 -0.97 115.64 122.46 1ybx s THR 49 Ca -0.08 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1ybx s THR 49 Cb -0.15 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1ybx s THR 49 CO -0.01 0.37 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.36 1ybx s VAL 50 N 0.64 1.98 -0.17 3.82 1.01 0.64 -0.98 120.40 127.35 1ybx s VAL 50 Ca -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1ybx s VAL 50 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1ybx s VAL 50 CO 0.04 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1ybx s VAL 51 N 0.08 3.13 0.12 2.92 1.01 -0.45 -0.98 120.40 126.22 1ybx s VAL 51 Ca -0.10 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1ybx s VAL 51 Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1ybx s VAL 51 CO 0.06 0.49 -0.18 0.00 0.00 0.00 0.00 175.10 175.47 1ybx s ALA 52 N 0.83 1.70 0.75 5.51 0.00 -0.46 -0.40 121.76 129.69 1ybx s ALA 52 Ca -0.03 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1ybx s ALA 52 Cb -0.15 -0.17 0.09 0.00 0.00 0.00 0.00 23.12 22.89 1ybx s ALA 52 CO 0.01 0.24 1.06 0.95 0.00 0.00 0.00 175.76 178.02 1ybx s THR 53 N -1.63 2.22 -0.44 0.00 -4.23 -0.10 -0.77 115.64 110.69 1ybx s THR 53 Ca 0.08 -0.29 0.19 0.00 -1.18 0.00 0.00 61.69 60.49 1ybx s THR 53 Cb -0.08 -2.92 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1ybx s THR 53 CO 0.04 0.00 1.59 0.61 -0.54 0.00 0.00 174.62 176.32 1ybx n GLY 54 N -3.03 -0.97 1.51 3.99 0.00 0.05 -1.26 105.19 105.48 1ybx n GLY 54 Ca 0.10 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.32 1ybx n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ybx n ARG 55 N -2.11 3.72 -3.38 1.61 3.00 -1.19 -4.87 116.66 113.43 1ybx n ARG 55 Ca 0.00 -2.53 -0.24 0.00 -0.01 0.00 0.00 57.85 55.07 1ybx n ARG 55 Cb 0.11 -1.94 0.03 0.00 0.00 0.00 0.00 32.46 30.65 1ybx n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ybx n LYS 56 N 0.78 -5.13 -3.05 5.56 5.02 -0.39 -5.00 118.16 115.95 1ybx n LYS 56 Ca 0.23 0.73 -0.39 0.00 -2.02 0.00 0.00 58.31 56.85 1ybx n LYS 56 Cb 0.89 -5.59 -0.06 0.00 -0.02 0.00 0.00 35.03 30.25 1ybx n LYS 56 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ybx s ASP 57 N -2.92 7.29 -0.30 4.39 -1.08 -1.26 -4.86 116.67 117.93 1ybx s ASP 57 Ca 0.45 1.53 -0.23 0.00 -0.52 0.00 0.00 52.55 53.78 1ybx s ASP 57 Cb -0.21 -2.46 -0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1ybx s ASP 57 CO 0.55 0.21 0.75 -0.63 0.52 0.00 0.00 175.17 176.57 1ybx s ILE 58 N -1.05 4.83 -0.04 4.11 -1.09 -1.26 -0.92 121.20 125.78 1ybx s ILE 58 Ca 0.34 1.12 -0.13 0.00 -2.23 0.00 0.00 60.65 59.74 1ybx s ILE 58 Cb -0.22 -4.11 -0.31 0.00 -1.58 0.00 0.00 42.46 36.24 1ybx s ILE 58 CO 0.24 -0.21 0.72 0.50 -1.23 0.00 0.00 174.94 174.96 1ybx h LYS 59 N 8.12 0.39 -2.57 2.79 3.64 -1.07 -3.49 116.57 124.38 1ybx h LYS 59 Ca -0.25 -0.67 -0.10 0.00 -1.27 0.00 0.00 60.65 58.36 1ybx h LYS 59 Cb 1.10 0.25 -0.22 0.00 -0.41 0.00 0.00 32.23 32.96 1ybx h LYS 59 CO 0.86 1.32 -0.11 -2.00 -2.27 0.00 0.00 179.45 177.25 1ybx s GLU 60 N -2.56 0.69 -0.09 1.90 2.12 -1.15 -5.00 118.70 114.62 1ybx s GLU 60 Ca -0.15 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.59 1ybx s GLU 60 Cb 0.05 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.78 1ybx s GLU 60 CO 0.86 -0.14 -0.12 0.42 -0.54 0.00 0.00 175.26 175.73 1ybx s ILE 61 N -0.39 1.22 -0.16 -3.70 1.01 -1.26 -1.35 121.20 116.57 1ybx s ILE 61 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1ybx s ILE 61 Cb -0.03 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1ybx s ILE 61 CO 0.03 0.38 -0.15 -0.89 0.00 0.00 0.00 174.94 174.31 1ybx s THR 62 N 0.98 2.60 -0.18 2.92 2.01 -0.15 -4.98 115.64 118.83 1ybx s THR 62 Ca -0.08 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1ybx s THR 62 Cb -0.15 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1ybx s THR 62 CO -0.00 0.51 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.64 1ybx s ILE 63 N 0.93 1.91 0.22 1.82 1.01 -1.26 -1.09 121.20 124.74 1ybx s ILE 63 Ca -0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1ybx s ILE 63 Cb -0.15 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.44 1ybx s ILE 63 CO -0.02 0.42 1.07 -0.54 0.00 0.00 0.00 174.94 175.87 1ybx s LYS 64 N 1.33 4.65 0.60 2.79 1.02 -0.02 -4.96 119.74 125.15 1ybx s LYS 64 Ca 0.03 1.71 0.31 0.00 0.02 0.00 0.00 55.97 58.03 1ybx s LYS 64 Cb -0.14 -3.25 1.84 0.00 -0.52 0.00 0.00 37.83 35.76 1ybx s LYS 64 CO -0.11 0.19 2.23 -1.00 -0.92 0.00 0.00 175.35 175.74 1ybx h PRO 65 N 4.54 0.00 -0.11 -1.68 0.13 -1.94 -1.96 132.00 130.98 1ybx h PRO 65 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1ybx h PRO 65 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ybx h PRO 65 CO 0.70 0.00 0.30 1.05 -0.23 0.00 0.00 178.00 179.82 1ybx h GLU 66 N 0.00 0.00 -0.36 0.86 9.09 -1.96 -1.16 114.58 121.06 1ybx h GLU 66 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1ybx h GLU 66 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1ybx h GLU 66 CO -0.00 0.00 0.00 1.33 0.05 0.00 0.00 179.01 180.39 1ybx n VAL 67 N -3.19 1.91 -3.75 -1.06 0.24 -0.74 -4.89 118.33 106.86 1ybx n VAL 67 Ca 0.00 -1.52 -0.37 0.00 -2.04 0.00 0.00 64.34 60.41 1ybx n VAL 67 Cb 0.39 -0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.65 1ybx n VAL 67 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ybx s VAL 68 N -2.20 3.43 -0.08 3.34 1.01 -0.44 -4.39 120.40 121.07 1ybx s VAL 68 Ca 0.39 -1.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 1ybx s VAL 68 Cb 0.28 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1ybx s VAL 68 CO 0.13 -0.67 0.06 -0.62 0.00 0.00 0.00 175.10 174.00 1ybx s ASP 69 N 1.92 1.52 0.17 3.32 -1.08 -1.26 -4.99 116.67 116.28 1ybx s ASP 69 Ca 0.07 -0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.16 1ybx s ASP 69 Cb -0.23 -0.21 0.81 0.00 -1.46 0.00 0.00 42.92 41.83 1ybx s ASP 69 CO -0.03 -0.27 1.56 -0.81 0.52 0.00 0.00 175.17 176.14 1ybx n PRO 70 N 5.27 0.11 0.00 4.34 -0.04 -1.26 -1.01 135.00 142.41 1ybx n PRO 70 Ca -0.05 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 63.98 1ybx n PRO 70 Cb 0.50 -1.75 0.67 0.00 -0.04 0.00 0.00 33.50 32.88 1ybx n PRO 70 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ybx n ASP 71 N -1.97 0.85 -3.01 3.54 8.00 -1.26 -4.30 116.55 118.40 1ybx n ASP 71 Ca 0.02 -1.18 -0.16 0.00 0.71 0.00 0.00 54.79 54.18 1ybx n ASP 71 Cb 0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1ybx n ASP 71 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ybx n ASP 72 N -0.40 -0.66 0.30 -2.24 -0.08 -0.18 -4.95 116.55 108.33 1ybx n ASP 72 Ca 0.20 -3.15 0.19 0.00 -1.51 0.00 0.00 54.79 50.53 1ybx n ASP 72 Cb 0.26 0.36 0.90 0.00 2.34 0.00 0.00 41.12 44.99 1ybx n ASP 72 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ybx h VAL 73 N 2.02 0.00 0.00 5.18 -1.51 -1.74 -3.34 116.25 116.87 1ybx h VAL 73 Ca 0.01 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1ybx h VAL 73 Cb 0.99 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1ybx h VAL 73 CO 0.38 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.10 1ybx n GLU 74 N -3.06 0.37 0.00 5.19 4.71 -1.26 -1.52 120.64 125.06 1ybx n GLU 74 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1ybx n GLU 74 Cb 0.21 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1ybx n GLU 74 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ybx n LEU 76 N 1.20 0.00 -0.13 -4.62 7.94 -1.25 -1.01 117.00 119.13 1ybx n LEU 76 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1ybx n LEU 76 Cb 0.19 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.17 1ybx n LEU 76 CO 0.00 0.00 0.86 1.56 -1.11 0.00 0.00 177.39 178.70 1ybx h GLN 77 N 0.00 0.12 -0.19 1.96 4.20 -1.62 -0.62 115.11 118.97 1ybx h GLN 77 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ybx h GLN 77 Cb 0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1ybx h GLN 77 CO 0.00 0.08 0.10 -0.44 -0.67 0.00 0.00 178.83 177.90 1ybx h ASP 78 N 0.12 0.24 -0.42 1.46 3.32 -1.34 -0.29 116.42 119.51 1ybx h ASP 78 Ca 0.21 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 1ybx h ASP 78 Cb 0.29 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1ybx h ASP 78 CO -0.33 0.27 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.14 1ybx h LEU 79 N 0.20 0.97 -0.15 1.55 3.38 -1.76 -1.95 115.31 117.55 1ybx h LEU 79 Ca 0.07 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1ybx h LEU 79 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ybx h LEU 79 CO -0.01 1.16 0.03 0.40 0.09 0.00 0.00 178.44 180.12 1ybx h ILE 80 N 0.81 1.21 -0.35 1.22 2.04 -0.98 -1.62 117.51 119.84 1ybx h ILE 80 Ca 0.10 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1ybx h ILE 80 Cb 0.82 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1ybx h ILE 80 CO 0.07 0.20 0.03 0.25 0.00 0.00 0.00 178.15 178.69 1ybx h LEU 81 N 0.05 -0.08 -0.10 1.44 6.46 -1.00 -0.03 115.31 122.03 1ybx h LEU 81 Ca 0.05 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1ybx h LEU 81 Cb 0.28 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1ybx h LEU 81 CO 0.00 -0.01 0.06 0.00 -0.62 0.00 0.00 178.44 177.88 1ybx h ALA 82 N 1.29 0.13 -0.36 1.25 0.00 -1.29 -1.38 119.26 118.90 1ybx h ALA 82 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ybx h ALA 82 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ybx h ALA 82 CO -0.26 -0.35 0.11 0.00 0.00 0.00 0.00 179.25 178.76 1ybx h ALA 83 N 0.99 0.47 -0.10 0.00 0.00 -1.08 -1.00 119.26 118.53 1ybx h ALA 83 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ybx h ALA 83 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ybx h ALA 83 CO -0.01 0.10 0.05 0.28 0.00 0.00 0.00 179.25 179.68 1ybx h VAL 84 N 0.42 1.09 -0.95 0.00 2.07 -0.97 -0.89 116.25 117.02 1ybx h VAL 84 Ca 0.12 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ybx h VAL 84 Cb 0.25 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1ybx h VAL 84 CO -0.00 0.08 0.62 0.78 0.02 0.00 0.00 177.57 179.07 1ybx h ASN 85 N 0.06 1.10 -0.46 0.57 2.35 -1.10 -0.23 115.58 117.87 1ybx h ASN 85 Ca 0.03 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1ybx h ASN 85 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1ybx h ASN 85 CO -0.01 0.81 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.38 1ybx h GLU 86 N 1.29 0.89 -0.32 0.81 4.57 -1.07 -1.85 114.58 118.90 1ybx h GLU 86 Ca 0.35 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1ybx h GLU 86 Cb -0.13 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 1ybx h GLU 86 CO -0.07 1.00 0.09 0.00 -1.18 0.00 0.00 179.01 178.84 1ybx h ALA 87 N 0.87 0.35 -0.91 2.92 0.00 -0.79 -0.24 119.26 121.45 1ybx h ALA 87 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ybx h ALA 87 Cb 0.68 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1ybx h ALA 87 CO 0.05 -0.32 0.56 -0.07 0.00 0.00 0.00 179.25 179.47 1ybx h LEU 88 N 0.21 1.08 -0.88 0.00 3.38 -1.00 0.69 115.31 118.80 1ybx h LEU 88 Ca 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1ybx h LEU 88 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ybx h LEU 88 CO -0.17 0.82 -0.00 0.03 0.09 0.00 0.00 178.44 179.21 1ybx h ARG 89 N 1.25 0.83 -0.21 1.13 3.08 -0.84 -1.94 114.38 117.68 1ybx h ARG 89 Ca 0.33 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 1ybx h ARG 89 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1ybx h ARG 89 CO -0.06 0.83 -0.39 0.87 -1.07 0.00 0.00 179.97 180.15 1ybx h LYS 90 N 0.77 0.46 -0.17 0.04 1.57 -0.71 -1.91 116.57 116.62 1ybx h LYS 90 Ca 0.15 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ybx h LYS 90 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1ybx h LYS 90 CO 0.02 0.78 0.10 0.00 -0.57 0.00 0.00 179.45 179.78 1ybx h ALA 91 N 1.20 0.21 -0.97 3.86 0.00 -0.59 -2.94 119.26 120.04 1ybx h ALA 91 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ybx h ALA 91 Cb 0.85 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1ybx h ALA 91 CO 0.07 -0.29 0.62 -0.44 0.00 0.00 0.00 179.25 179.21 1ybx h ASP 92 N 0.20 0.99 0.00 0.00 3.32 -1.17 -2.04 116.42 117.72 1ybx h ASP 92 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ybx h ASP 92 Cb 0.01 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ybx h ASP 92 CO -0.01 0.64 0.00 -0.62 -1.72 0.00 0.00 179.24 177.52 1ybx n GLU 93 N -4.53 0.47 0.00 3.56 4.71 -0.74 -1.79 120.64 122.32 1ybx n GLU 93 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1ybx n GLU 93 Cb 0.18 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 1ybx n GLU 93 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ybx n VAL 95 N 0.68 0.00 -0.12 2.62 0.31 -0.77 -1.46 118.33 119.59 1ybx n VAL 95 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1ybx n VAL 95 Cb 0.21 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.16 1ybx n VAL 95 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1ybx h THR 96 N 0.00 0.92 -0.27 2.52 2.02 -1.63 -1.32 112.91 115.16 1ybx h THR 96 Ca 0.00 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1ybx h THR 96 Cb 0.00 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1ybx h THR 96 CO 0.00 0.06 0.09 0.00 0.37 0.00 0.00 175.52 176.04 1ybx h ALA 97 N 1.23 0.30 -0.45 6.16 0.00 -1.53 -0.70 119.26 124.27 1ybx h ALA 97 Ca 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1ybx h ALA 97 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ybx h ALA 97 CO -0.16 -0.32 -0.05 0.93 0.00 0.00 0.00 179.25 179.66 1ybx h GLU 98 N 0.21 0.76 -0.46 0.00 4.39 -1.75 -2.44 114.58 115.30 1ybx h GLU 98 Ca 0.12 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1ybx h GLU 98 Cb 0.08 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1ybx h GLU 98 CO -0.12 0.80 -0.17 0.82 -1.16 0.00 0.00 179.01 179.19 1ybx h ILE 99 N 0.70 1.27 -0.51 3.13 2.04 -1.04 -2.97 117.51 120.13 1ybx h ILE 99 Ca 0.13 -1.31 0.08 0.00 1.00 0.00 0.00 64.86 64.75 1ybx h ILE 99 Cb 0.50 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1ybx h ILE 99 CO 0.03 0.45 0.34 0.28 0.00 0.00 0.00 178.15 179.25 1ybx h SER 100 N 0.77 0.33 0.68 1.72 0.02 -0.83 -1.47 113.55 114.77 1ybx h SER 100 Ca 0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1ybx h SER 100 Cb 0.73 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1ybx h SER 100 CO 0.06 0.21 -0.27 0.11 -1.14 0.00 0.00 176.83 175.80 1ybx h LYS 101 N 0.38 0.00 -0.50 3.45 1.57 -1.28 -2.98 116.57 117.21 1ybx h LYS 101 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1ybx h LYS 101 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ybx h LYS 101 CO -0.06 0.27 0.00 0.44 -0.57 0.00 0.00 179.45 179.53 1ybx n ILE 102 N -3.59 0.74 -0.28 1.86 -5.35 -0.59 -5.13 119.36 107.02 1ybx n ILE 102 Ca -0.01 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 1ybx n ILE 102 Cb 0.40 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 1ybx n ILE 102 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14