#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8m s LEU 2 N 0.00 -0.07 0.35 4.03 0.05 -1.26 -5.04 118.68 116.74 1z8m s LEU 2 Ca 0.00 -0.72 -0.15 0.00 0.05 0.00 0.00 54.13 53.31 1z8m s LEU 2 Cb 0.00 2.36 -0.09 0.00 -2.05 0.00 0.00 46.19 46.42 1z8m s LEU 2 CO 0.00 -1.18 0.76 -0.75 -0.55 0.00 0.00 176.35 174.63 1z8m s LYS 3 N -2.66 3.98 -0.03 1.48 2.36 -1.26 -4.88 119.74 118.74 1z8m s LYS 3 Ca 0.17 0.67 0.05 0.00 -2.55 0.00 0.00 55.97 54.32 1z8m s LYS 3 Cb -0.03 -2.40 -0.01 0.00 -1.05 0.00 0.00 37.83 34.34 1z8m s LYS 3 CO 0.06 0.10 -0.19 -1.17 1.55 0.00 0.00 175.35 175.70 1z8m s LEU 4 N -3.17 2.00 0.41 5.43 2.96 -1.19 -0.11 118.68 125.01 1z8m s LEU 4 Ca 0.54 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1z8m s LEU 4 Cb -0.10 -1.01 -0.07 0.00 0.50 0.00 0.00 46.19 45.51 1z8m s LEU 4 CO 0.20 0.21 0.04 0.21 -1.32 0.00 0.00 176.35 175.69 1z8m s ASN 5 N -0.29 4.00 -0.18 3.68 3.84 -0.75 -4.92 114.94 120.32 1z8m s ASN 5 Ca 0.03 -1.29 -0.02 0.00 0.21 0.00 0.00 52.86 51.80 1z8m s ASN 5 Cb -0.09 -0.42 0.05 0.00 -0.55 0.00 0.00 41.25 40.24 1z8m s ASN 5 CO 0.00 -0.45 -0.00 -0.76 -2.79 0.00 0.00 177.10 173.10 1z8m s LEU 6 N -3.75 1.38 0.53 3.21 1.43 -1.26 -2.08 118.68 118.14 1z8m s LEU 6 Ca 0.36 -0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1z8m s LEU 6 Cb 0.08 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 1z8m s LEU 6 CO 0.19 -0.25 0.85 -0.54 0.23 0.00 0.00 176.35 176.82 1z8m s LYS 7 N 1.76 3.33 0.38 1.70 -0.14 -0.85 -4.94 119.74 120.98 1z8m s LYS 7 Ca -0.00 0.17 0.06 0.00 -1.36 0.00 0.00 55.97 54.84 1z8m s LYS 7 Cb -0.16 -2.31 0.74 0.00 -1.68 0.00 0.00 37.83 34.42 1z8m s LYS 7 CO -0.07 -0.41 1.99 -0.22 -0.76 0.00 0.00 175.35 175.88 1z8m h LYS 8 N 0.04 0.57 -0.10 1.68 1.63 -1.90 -1.49 116.57 117.00 1z8m h LYS 8 Ca -0.46 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.16 1z8m h LYS 8 Cb 1.22 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1z8m h LYS 8 CO 0.61 0.45 -0.46 0.77 -3.45 0.00 0.00 179.45 177.37 1z8m h SER 9 N 0.57 0.26 -0.03 4.20 0.02 -1.94 -2.73 113.55 113.91 1z8m h SER 9 Ca 0.15 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 1z8m h SER 9 Cb 0.07 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1z8m h SER 9 CO -0.02 0.69 -0.77 0.15 -1.14 0.00 0.00 176.83 175.74 1z8m h PHE 10 N 0.20 0.92 -0.60 3.45 3.57 -0.49 -0.24 116.94 123.75 1z8m h PHE 10 Ca 0.01 -0.41 -0.05 0.00 3.53 0.00 0.00 57.97 61.06 1z8m h PHE 10 Cb 0.89 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1z8m h PHE 10 CO 0.02 1.22 0.19 1.96 -2.23 0.00 0.00 178.31 179.47 1z8m h GLN 11 N 0.46 0.91 0.00 1.11 4.20 -1.21 0.71 115.11 121.29 1z8m h GLN 11 Ca -0.05 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 1z8m h GLN 11 Cb 1.39 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1z8m h GLN 11 CO 0.15 0.78 -0.88 0.87 -0.67 0.00 0.00 178.83 179.08 1z8m h LYS 12 N 0.88 0.00 -0.00 1.46 1.57 -1.48 -3.10 116.57 115.90 1z8m h LYS 12 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1z8m h LYS 12 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1z8m h LYS 12 CO -0.01 0.45 -0.51 -0.25 -0.57 0.00 0.00 179.45 178.55 1z8m n ASP 13 N -3.10 0.61 -0.01 0.86 9.92 -0.11 -1.17 116.55 123.55 1z8m n ASP 13 Ca -0.02 -0.39 -0.01 0.00 -0.53 0.00 0.00 54.79 53.84 1z8m n ASP 13 Cb 0.79 0.30 -0.00 0.00 -0.64 0.00 0.00 41.12 41.56 1z8m n ASP 13 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1z8m n PHE 14 N -1.40 0.17 -0.02 1.24 7.35 0.24 -4.11 117.46 120.93 1z8m n PHE 14 Ca 0.06 0.07 -0.14 0.00 -0.76 0.00 0.00 57.45 56.68 1z8m n PHE 14 Cb 0.34 -0.32 -0.14 0.00 0.35 0.00 0.00 39.48 39.70 1z8m n PHE 14 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1z8m n ASP 15 N -2.74 1.40 0.12 -2.13 2.03 -1.17 -3.80 116.55 110.25 1z8m n ASP 15 Ca -0.02 0.29 0.13 0.00 0.52 0.00 0.00 54.79 55.71 1z8m n ASP 15 Cb 0.06 -0.37 0.40 0.00 -0.72 0.00 0.00 41.12 40.49 1z8m n ASP 15 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1z8m h LYS 16 N 0.03 0.00 0.13 -0.67 1.79 -1.58 -3.10 116.57 113.17 1z8m h LYS 16 Ca -0.37 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.82 1z8m h LYS 16 Cb 2.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 1z8m h LYS 16 CO 0.08 0.00 -1.29 1.25 -1.08 0.00 0.00 179.45 178.41 1z8m h LEU 17 N 0.00 0.43 0.27 2.94 5.85 -1.29 -2.87 115.31 120.65 1z8m h LEU 17 Ca 0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1z8m h LEU 17 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1z8m h LEU 17 CO 0.00 1.38 -0.13 -0.07 -0.34 0.00 0.00 178.44 179.28 1z8m h LEU 18 N 0.08 -0.31 -1.31 2.25 3.38 -1.64 -2.46 115.31 115.30 1z8m h LEU 18 Ca -0.15 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1z8m h LEU 18 Cb 1.98 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 1z8m h LEU 18 CO 0.20 -0.06 0.46 -0.07 0.09 0.00 0.00 178.44 179.06 1z8m h LEU 19 N -0.57 0.81 -2.38 1.67 3.38 -1.67 -0.26 115.31 116.28 1z8m h LEU 19 Ca -0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1z8m h LEU 19 Cb 0.42 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1z8m h LEU 19 CO 0.06 0.59 0.10 -1.13 0.09 0.00 0.00 178.44 178.15 1z8m h ASN 20 N 0.95 0.00 0.00 -0.43 -0.00 -1.37 -3.43 115.58 111.30 1z8m h ASN 20 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.56 1z8m h ASN 20 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.22 1z8m h ASN 20 CO -0.05 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.99 1z8m n GLY 21 N -1.34 0.43 3.49 1.57 0.00 -0.40 -5.10 105.19 103.84 1z8m n GLY 21 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1z8m n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z8m s PHE 22 N -0.70 2.24 -0.06 1.61 5.36 -0.25 -5.00 117.98 121.19 1z8m s PHE 22 Ca 0.00 -0.51 -0.30 0.00 -0.96 0.00 0.00 56.93 55.16 1z8m s PHE 22 Cb 0.00 -1.21 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1z8m s PHE 22 CO 0.00 0.53 1.17 0.34 -1.46 0.00 0.00 175.22 175.80 1z8m s ASP 23 N -3.53 7.08 0.07 6.13 2.15 -1.26 -4.49 116.67 122.82 1z8m s ASP 23 Ca 0.31 1.78 0.23 0.00 0.43 0.00 0.00 52.55 55.29 1z8m s ASP 23 Cb 0.01 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1z8m s ASP 23 CO 0.15 -0.56 1.02 -0.90 -0.17 0.00 0.00 175.17 174.71 1z8m n ASP 24 N 5.12 0.61 0.09 -0.34 5.75 -1.26 -4.13 116.55 122.39 1z8m n ASP 24 Ca 0.10 -0.08 -0.14 0.00 -0.01 0.00 0.00 54.79 54.66 1z8m n ASP 24 Cb 0.47 0.76 -0.11 0.00 -1.03 0.00 0.00 41.12 41.21 1z8m n ASP 24 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1z8m h SER 25 N 0.00 0.41 0.43 -1.12 0.02 -2.02 -3.25 113.55 108.02 1z8m h SER 25 Ca 0.00 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1z8m h SER 25 Cb 0.79 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1z8m h SER 25 CO 0.00 1.28 -0.25 1.62 -1.14 0.00 0.00 176.83 178.34 1z8m h VAL 26 N 0.10 0.92 -0.56 2.27 3.04 -1.99 -2.81 116.25 117.22 1z8m h VAL 26 Ca -0.11 -0.95 -0.07 0.00 -1.01 0.00 0.00 66.70 64.56 1z8m h VAL 26 Cb 1.84 1.55 -0.02 0.00 -2.01 0.00 0.00 31.29 32.65 1z8m h VAL 26 CO 0.19 0.25 0.07 0.17 -1.01 0.00 0.00 177.57 177.24 1z8m h LEU 27 N 0.00 0.87 -2.16 3.16 8.10 -1.73 -2.32 115.31 121.23 1z8m h LEU 27 Ca -0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.78 1z8m h LEU 27 Cb 0.53 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1z8m h LEU 27 CO 0.03 0.89 -0.05 -1.13 -4.11 0.00 0.00 178.44 174.07 1z8m h ASN 28 N 0.86 0.00 0.42 0.17 -0.73 -1.61 0.53 115.58 115.22 1z8m h ASN 28 Ca 0.17 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.15 1z8m h ASN 28 Cb 0.40 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1z8m h ASN 28 CO 0.01 0.05 -0.82 -0.33 -0.37 0.00 0.00 177.43 175.98 1z8m h GLU 29 N 0.00 0.30 0.11 6.67 4.39 -1.50 -2.74 114.58 121.81 1z8m h GLU 29 Ca -0.00 -0.29 -0.35 0.00 0.34 0.00 0.00 59.36 59.06 1z8m h GLU 29 Cb 0.11 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1z8m h GLU 29 CO 0.01 0.96 -1.95 1.55 -1.16 0.00 0.00 179.01 178.42 1z8m n VAL 30 N -3.75 1.75 0.21 3.13 3.14 -0.69 -4.20 118.33 117.92 1z8m n VAL 30 Ca -0.04 -0.59 -0.15 0.00 -2.96 0.00 0.00 64.34 60.60 1z8m n VAL 30 Cb 0.76 -1.76 -0.08 0.00 -1.06 0.00 0.00 33.84 31.70 1z8m n VAL 30 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1z8m h ILE 31 N -0.05 0.59 -0.24 1.55 5.03 -0.09 -1.63 117.51 122.68 1z8m h ILE 31 Ca -0.42 -0.35 0.07 0.00 -0.12 0.00 0.00 64.86 64.04 1z8m h ILE 31 Cb 1.96 0.76 -0.01 0.00 -3.03 0.00 0.00 36.82 36.50 1z8m h ILE 31 CO 0.05 0.06 0.53 0.17 -0.68 0.00 0.00 178.15 178.29 1z8m h LEU 32 N -0.74 0.00 0.09 1.44 -0.00 -1.68 0.92 115.31 115.35 1z8m h LEU 32 Ca -0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.49 1z8m h LEU 32 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 1z8m h LEU 32 CO 0.09 0.00 -1.82 0.41 -0.00 0.00 0.00 178.44 177.12 1z8m n THR 33 N -3.17 1.72 0.07 0.15 -1.04 -1.06 -3.88 114.28 107.07 1z8m n THR 33 Ca 0.04 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.45 1z8m n THR 33 Cb 0.65 -1.81 -0.13 0.00 -1.82 0.00 0.00 70.33 67.22 1z8m n THR 33 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1z8m h LEU 34 N -0.20 0.14 -2.49 -4.42 3.38 -0.10 -3.17 115.31 108.45 1z8m h LEU 34 Ca -0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1z8m h LEU 34 Cb 1.85 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1z8m h LEU 34 CO 0.01 1.12 0.01 0.54 0.09 0.00 0.00 178.44 180.22 1z8m n ARG 35 N -3.40 3.19 -0.03 1.13 1.74 0.30 -4.16 116.66 115.43 1z8m n ARG 35 Ca -0.04 -1.81 -0.06 0.00 -0.77 0.00 0.00 57.85 55.18 1z8m n ARG 35 Cb 0.97 -1.93 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1z8m n ARG 35 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1z8m n LYS 36 N 0.33 0.14 0.00 5.56 2.85 -1.24 -4.96 118.16 120.84 1z8m n LYS 36 Ca 0.17 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1z8m n LYS 36 Cb 0.81 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 34.30 1z8m n LYS 36 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1z8m n LYS 37 N -3.02 0.00 -2.07 -1.58 2.85 -1.25 -5.06 118.16 108.03 1z8m n LYS 37 Ca -0.11 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.72 1z8m n LYS 37 Cb 0.60 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.95 1z8m n LYS 37 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1z8m s GLU 38 N 0.00 3.56 0.53 -1.58 -6.30 -1.20 -2.95 118.70 110.76 1z8m s GLU 38 Ca 0.00 1.50 -0.18 0.00 -2.50 0.00 0.00 54.97 53.80 1z8m s GLU 38 Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 34.13 29.95 1z8m s GLU 38 CO 0.00 -1.58 1.02 -1.25 0.02 0.00 0.00 175.26 173.47 1z8m s PRO 39 N 5.17 3.70 -0.29 4.30 0.04 -1.26 -4.41 135.00 142.25 1z8m s PRO 39 Ca 0.75 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 1z8m s PRO 39 Cb -0.23 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1z8m s PRO 39 CO 0.32 -0.49 1.25 -0.51 0.04 0.00 0.00 177.00 177.61 1z8m s LEU 40 N -3.98 3.92 1.05 -3.56 1.43 -1.26 -5.01 118.68 111.27 1z8m s LEU 40 Ca 0.63 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 1z8m s LEU 40 Cb -0.14 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.74 1z8m s LEU 40 CO 0.28 -1.01 0.93 0.47 0.23 0.00 0.00 176.35 177.26 1z8m n ASP 41 N 7.37 -0.96 0.09 2.29 9.92 -1.26 -4.88 116.55 129.11 1z8m n ASP 41 Ca 0.14 0.13 0.11 0.00 -0.53 0.00 0.00 54.79 54.63 1z8m n ASP 41 Cb 0.47 -1.32 0.44 0.00 -0.64 0.00 0.00 41.12 40.06 1z8m n ASP 41 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1z8m n PRO 42 N -4.15 0.14 -0.02 -0.24 -0.04 -1.26 -2.43 135.00 127.00 1z8m n PRO 42 Ca 0.07 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1z8m n PRO 42 Cb 0.54 -1.75 0.53 0.00 -0.04 0.00 0.00 33.50 32.78 1z8m n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1z8m n GLN 43 N -2.00 1.26 -0.71 0.54 1.13 -1.26 -3.58 117.38 112.76 1z8m n GLN 43 Ca 0.03 -0.39 0.05 0.00 -1.94 0.00 0.00 57.00 54.74 1z8m n GLN 43 Cb 0.22 -1.35 0.31 0.00 0.11 0.00 0.00 30.24 29.53 1z8m n GLN 43 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1z8m n PHE 44 N -0.41 1.64 -2.94 1.08 3.01 -1.02 -4.89 117.46 113.94 1z8m n PHE 44 Ca 0.16 -0.58 -0.22 0.00 1.01 0.00 0.00 57.45 57.82 1z8m n PHE 44 Cb 0.17 -0.43 0.02 0.00 -0.01 0.00 0.00 39.48 39.23 1z8m n PHE 44 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1z8m n GLN 45 N 0.47 -4.23 -2.76 -1.08 1.13 -1.23 -1.37 117.38 108.31 1z8m n GLN 45 Ca 0.22 0.89 -0.43 0.00 -1.94 0.00 0.00 57.00 55.74 1z8m n GLN 45 Cb 1.00 -5.71 -0.03 0.00 0.11 0.00 0.00 30.24 25.61 1z8m n GLN 45 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1z8m s ASP 46 N -2.59 6.74 0.17 1.08 -4.77 -1.26 -4.36 116.67 111.69 1z8m s ASP 46 Ca 0.26 0.71 -0.23 0.00 -3.30 0.00 0.00 52.55 49.99 1z8m s ASP 46 Cb -0.12 -2.49 0.08 0.00 -1.09 0.00 0.00 42.92 39.30 1z8m s ASP 46 CO 0.32 -0.87 1.05 -1.38 0.70 0.00 0.00 175.17 174.99 1z8m s HIS 47 N 3.54 0.05 0.46 2.11 -3.43 -0.88 -4.98 115.29 112.16 1z8m s HIS 47 Ca 0.40 -0.42 -0.22 0.00 -0.80 0.00 0.00 55.06 54.02 1z8m s HIS 47 Cb -0.12 0.69 -0.08 0.00 -1.43 0.00 0.00 32.58 31.64 1z8m s HIS 47 CO 0.18 -0.87 1.08 0.00 -2.00 0.00 0.00 174.74 173.13 1z8m s ALA 48 N -2.25 2.94 0.42 -1.38 0.00 -1.26 -1.08 121.76 119.14 1z8m s ALA 48 Ca 0.21 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.96 1z8m s ALA 48 Cb -0.02 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1z8m s ALA 48 CO 0.05 -0.40 0.52 1.28 0.00 0.00 0.00 175.76 177.20 1z8m n LEU 49 N -0.63 0.00 -4.84 0.00 4.77 -1.12 -4.89 117.00 110.30 1z8m n LEU 49 Ca 0.08 -1.90 -0.27 0.00 -0.03 0.00 0.00 56.01 53.88 1z8m n LEU 49 Cb 0.51 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1z8m n LEU 49 CO 0.43 -0.62 -0.06 -1.59 -1.33 0.00 0.00 177.39 174.22 1z8m s LYS 50 N -3.86 2.25 5.94 3.23 0.00 -1.24 -3.75 119.74 122.30 1z8m s LYS 50 Ca 0.39 -2.04 0.00 0.00 0.00 0.00 0.00 55.97 54.32 1z8m s LYS 50 Cb -0.03 -1.96 0.00 0.00 0.00 0.00 0.00 37.83 35.84 1z8m s LYS 50 CO 0.25 -0.44 0.00 0.41 0.00 0.00 0.00 175.35 175.57 1z8m n GLY 51 N -1.53 2.08 0.27 0.59 0.00 -1.26 -2.54 105.19 102.80 1z8m n GLY 51 Ca -0.05 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1z8m n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1z8m h LYS 52 N 0.00 0.00 -1.15 1.61 1.79 -2.05 -2.27 116.57 114.50 1z8m h LYS 52 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1z8m h LYS 52 Cb 0.00 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.41 1z8m h LYS 52 CO 0.00 0.07 0.71 0.91 -1.08 0.00 0.00 179.45 180.06 1z8m n TRP 53 N -3.85 2.68 0.01 -1.35 8.01 -1.05 -4.55 117.44 117.34 1z8m n TRP 53 Ca -0.02 -2.57 -0.12 0.00 -1.31 0.00 0.00 57.50 53.48 1z8m n TRP 53 Cb 0.17 -1.24 -0.09 0.00 -2.01 0.00 0.00 31.31 28.13 1z8m n TRP 53 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1z8m h LYS 54 N 1.71 -0.10 -0.44 -0.99 3.64 -1.49 -2.95 116.57 115.95 1z8m h LYS 54 Ca 0.51 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1z8m h LYS 54 Cb 1.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1z8m h LYS 54 CO 1.28 0.44 0.00 -0.35 -2.27 0.00 0.00 179.45 178.56 1z8m n PRO 55 N -4.84 1.41 -4.27 1.90 -0.04 -1.26 -4.41 135.00 123.49 1z8m n PRO 55 Ca -0.08 -0.46 -0.29 0.00 -0.04 0.00 0.00 63.50 62.62 1z8m n PRO 55 Cb 0.29 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1z8m n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1z8m s PHE 56 N -1.62 1.66 0.07 0.54 0.40 -1.22 -5.05 117.98 112.75 1z8m s PHE 56 Ca 0.08 -0.91 0.05 0.00 -0.60 0.00 0.00 56.93 55.55 1z8m s PHE 56 Cb 0.05 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1z8m s PHE 56 CO 0.04 -0.20 -0.14 0.50 0.70 0.00 0.00 175.22 176.12 1z8m s ARG 57 N -4.13 0.80 0.30 0.44 6.06 -0.47 -3.57 118.95 118.38 1z8m s ARG 57 Ca 0.20 -0.93 0.03 0.00 -2.50 0.00 0.00 55.73 52.54 1z8m s ARG 57 Cb -0.01 -0.78 -0.06 0.00 0.06 0.00 0.00 34.95 34.16 1z8m s ARG 57 CO 0.13 0.17 0.07 -2.00 -2.50 0.00 0.00 175.30 171.17 1z8m s GLU 58 N -1.70 1.58 -0.29 5.12 2.12 -0.24 -0.04 118.70 125.25 1z8m s GLU 58 Ca -0.03 -1.87 -0.16 0.00 0.36 0.00 0.00 54.97 53.28 1z8m s GLU 58 Cb -0.10 -0.69 0.12 0.00 0.26 0.00 0.00 34.13 33.71 1z8m s GLU 58 CO 0.02 -0.21 0.84 0.00 -0.54 0.00 0.00 175.26 175.37 1z8m s HIS 60 N 1.57 3.54 0.12 0.00 3.76 -0.47 -2.73 115.29 121.08 1z8m s HIS 60 Ca -0.09 -2.03 -0.22 0.00 -0.15 0.00 0.00 55.06 52.57 1z8m s HIS 60 Cb -0.05 -4.20 -0.07 0.00 1.11 0.00 0.00 32.58 29.37 1z8m s HIS 60 CO -0.17 -1.33 1.70 0.82 -0.85 0.00 0.00 174.74 174.91 1z8m h ILE 61 N 4.81 0.77 -1.28 0.60 5.03 -1.79 -3.45 117.51 122.19 1z8m h ILE 61 Ca 0.24 0.00 -0.59 0.00 -0.12 0.00 0.00 64.86 64.39 1z8m h ILE 61 Cb 0.92 0.77 -0.09 0.00 -3.03 0.00 0.00 36.82 35.39 1z8m h ILE 61 CO 1.14 0.00 -0.48 -0.54 -0.68 0.00 0.00 178.15 177.59 1z8m s LYS 62 N -6.17 2.20 0.00 2.37 -0.14 -1.25 -4.99 119.74 111.75 1z8m s LYS 62 Ca -0.14 -1.98 0.11 0.00 -1.36 0.00 0.00 55.97 52.61 1z8m s LYS 62 Cb 0.09 -1.90 0.58 0.00 -1.68 0.00 0.00 37.83 34.92 1z8m s LYS 62 CO 0.67 -0.22 1.21 -2.30 -0.76 0.00 0.00 175.35 173.96 1z8m n PRO 63 N -1.29 0.21 -1.25 -1.68 -0.02 -1.26 -2.59 135.00 127.11 1z8m n PRO 63 Ca -0.04 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1z8m n PRO 63 Cb 0.65 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.62 1z8m n PRO 63 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1z8m n ASP 64 N -1.21 0.29 -4.00 2.55 9.92 -1.26 -5.01 116.55 117.83 1z8m n ASP 64 Ca 0.06 -1.97 -0.14 0.00 -0.53 0.00 0.00 54.79 52.21 1z8m n ASP 64 Cb 0.07 -0.10 -0.13 0.00 -0.64 0.00 0.00 41.12 40.33 1z8m n ASP 64 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1z8m s VAL 65 N 0.00 0.43 -0.29 2.53 1.01 -1.07 -4.46 120.40 118.54 1z8m s VAL 65 Ca 0.20 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1z8m s VAL 65 Cb 0.23 -0.44 0.18 0.00 0.00 0.00 0.00 36.38 36.35 1z8m s VAL 65 CO -0.10 -0.15 0.58 -1.48 0.00 0.00 0.00 175.10 173.95 1z8m s LEU 66 N -0.84 -1.29 -0.07 3.92 2.34 -0.42 -3.22 118.68 119.11 1z8m s LEU 66 Ca -0.04 0.90 0.01 0.00 0.06 0.00 0.00 54.13 55.06 1z8m s LEU 66 Cb -0.06 2.08 -0.03 0.00 -0.56 0.00 0.00 46.19 47.63 1z8m s LEU 66 CO 0.00 -0.26 -0.09 -1.48 -1.06 0.00 0.00 176.35 173.46 1z8m s LEU 67 N 2.83 3.02 0.07 1.48 0.05 -1.11 0.60 118.68 125.63 1z8m s LEU 67 Ca 0.17 -0.09 -0.20 0.00 0.05 0.00 0.00 54.13 54.06 1z8m s LEU 67 Cb -0.15 -1.65 -0.07 0.00 -2.05 0.00 0.00 46.19 42.28 1z8m s LEU 67 CO -0.20 0.34 0.58 -0.69 -0.55 0.00 0.00 176.35 175.83 1z8m s VAL 68 N -0.68 4.74 0.33 1.48 1.01 0.31 -3.01 120.40 124.58 1z8m s VAL 68 Ca 0.10 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 1z8m s VAL 68 Cb -0.11 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1z8m s VAL 68 CO 0.01 0.54 0.60 -0.72 0.00 0.00 0.00 175.10 175.53 1z8m s TYR 69 N -1.00 0.47 0.08 5.22 1.13 0.94 0.10 117.35 124.30 1z8m s TYR 69 Ca 0.30 -0.90 0.05 0.00 -1.41 0.00 0.00 57.07 55.11 1z8m s TYR 69 Cb -0.20 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 40.98 1z8m s TYR 69 CO 0.19 -1.24 -0.15 -1.17 -2.51 0.00 0.00 175.55 170.67 1z8m s LEU 70 N -3.10 2.28 -0.34 -3.49 2.96 0.88 -1.37 118.68 116.50 1z8m s LEU 70 Ca 0.22 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1z8m s LEU 70 Cb -0.02 -0.55 0.03 0.00 0.50 0.00 0.00 46.19 46.14 1z8m s LEU 70 CO 0.13 -0.07 0.14 -0.69 -1.32 0.00 0.00 176.35 174.55 1z8m s VAL 71 N -1.29 4.18 0.40 1.68 1.01 -1.26 -1.64 120.40 123.48 1z8m s VAL 71 Ca -0.01 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1z8m s VAL 71 Cb -0.10 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1z8m s VAL 71 CO 0.02 -0.13 0.47 -0.75 0.00 0.00 0.00 175.10 174.71 1z8m s LYS 72 N 1.49 2.78 -0.28 2.72 2.36 0.31 -5.00 119.74 124.11 1z8m s LYS 72 Ca 0.01 -1.30 -0.28 0.00 -2.55 0.00 0.00 55.97 51.85 1z8m s LYS 72 Cb -0.19 -2.63 -0.04 0.00 -1.05 0.00 0.00 37.83 33.92 1z8m s LYS 72 CO 0.04 -0.16 2.13 -0.51 1.55 0.00 0.00 175.35 178.41 1z8m s ASP 73 N -4.22 5.45 -1.84 1.43 1.11 -1.26 -1.95 116.67 115.39 1z8m s ASP 73 Ca 0.50 1.63 0.00 0.00 0.18 0.00 0.00 52.55 54.86 1z8m s ASP 73 Cb -0.07 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1z8m s ASP 73 CO 0.30 -2.01 0.00 -0.67 1.18 0.00 0.00 175.17 173.98 1z8m n ASP 74 N 11.83 -5.18 -3.62 0.27 2.03 -1.26 -4.93 116.55 115.70 1z8m n ASP 74 Ca 0.29 0.28 -0.14 0.00 0.52 0.00 0.00 54.79 55.74 1z8m n ASP 74 Cb 0.47 -4.49 -0.07 0.00 -0.72 0.00 0.00 41.12 36.31 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1z8m s GLU 75 N -4.21 0.87 0.10 -0.67 2.02 -0.82 -4.26 118.70 111.73 1z8m s GLU 75 Ca 0.00 0.91 0.10 0.00 0.02 0.00 0.00 54.97 56.00 1z8m s GLU 75 Cb 0.00 0.42 -0.04 0.00 0.10 0.00 0.00 34.13 34.61 1z8m s GLU 75 CO 0.00 -0.13 -0.27 -1.17 0.02 0.00 0.00 175.26 173.72 1z8m s LEU 76 N 0.19 2.28 -0.03 1.80 2.96 0.84 0.11 118.68 126.82 1z8m s LEU 76 Ca -0.01 -0.69 0.02 0.00 -0.22 0.00 0.00 54.13 53.23 1z8m s LEU 76 Cb -0.04 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.40 1z8m s LEU 76 CO 0.02 0.21 -0.10 0.27 -1.32 0.00 0.00 176.35 175.43 1z8m s ILE 77 N -0.98 0.86 0.06 6.68 -5.25 -0.65 -1.80 121.20 120.11 1z8m s ILE 77 Ca 0.13 -0.38 -0.25 0.00 -0.99 0.00 0.00 60.65 59.17 1z8m s ILE 77 Cb -0.10 -0.77 -0.06 0.00 2.95 0.00 0.00 42.46 44.48 1z8m s ILE 77 CO 0.05 0.27 0.76 -0.76 -1.79 0.00 0.00 174.94 173.46 1z8m s LEU 78 N 0.32 4.47 -0.13 0.37 1.43 -0.88 -0.08 118.68 124.17 1z8m s LEU 78 Ca -0.06 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 1z8m s LEU 78 Cb -0.10 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1z8m s LEU 78 CO 0.01 0.05 -0.21 -0.11 0.23 0.00 0.00 176.35 176.32 1z8m n LEU 79 N 2.62 1.59 -3.82 1.79 -0.00 0.29 -2.01 117.00 117.46 1z8m n LEU 79 Ca -0.03 0.47 -0.02 0.00 -0.00 0.00 0.00 56.01 56.44 1z8m n LEU 79 Cb 0.50 -0.78 0.01 0.00 -0.00 0.00 0.00 43.42 43.15 1z8m n LEU 79 CO 0.47 -0.42 0.88 0.00 -0.00 0.00 0.00 177.39 178.32 1z8m s ARG 80 N -2.27 0.98 -0.00 1.96 1.04 0.16 -1.77 118.95 119.05 1z8m s ARG 80 Ca -0.17 -0.60 0.06 0.00 -1.04 0.00 0.00 55.73 53.98 1z8m s ARG 80 Cb 0.02 0.30 -0.03 0.00 -2.04 0.00 0.00 34.95 33.20 1z8m s ARG 80 CO 0.25 -0.46 -0.18 -1.17 -0.04 0.00 0.00 175.30 173.71 1z8m s LEU 81 N -3.27 2.55 0.00 -1.89 1.98 -1.26 0.11 118.68 116.91 1z8m s LEU 81 Ca 0.19 -0.35 -0.01 0.00 -2.89 0.00 0.00 54.13 51.07 1z8m s LEU 81 Cb -0.01 -1.50 0.01 0.00 0.66 0.00 0.00 46.19 45.35 1z8m s LEU 81 CO 0.02 0.30 0.41 0.61 -1.89 0.00 0.00 176.35 175.80 1z8m n GLY 82 N 1.98 2.28 3.30 7.98 0.00 0.20 -4.89 105.19 116.05 1z8m n GLY 82 Ca -0.16 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.09 1z8m n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1z8m s SER 83 N -2.82 1.53 0.44 1.61 0.01 -1.26 -1.30 113.70 111.91 1z8m s SER 83 Ca 0.24 -1.67 0.14 0.00 1.31 0.00 0.00 55.95 55.98 1z8m s SER 83 Cb -0.01 0.50 0.96 0.00 0.21 0.00 0.00 66.02 67.68 1z8m s SER 83 CO 0.17 -0.99 1.97 -0.74 0.41 0.00 0.00 173.24 174.06 1z8m h HIS 84 N 2.19 0.00 0.00 2.43 2.76 -1.91 -0.57 115.15 120.05 1z8m h HIS 84 Ca -0.29 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.61 1z8m h HIS 84 Cb 1.24 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 1z8m h HIS 84 CO 1.39 0.21 -1.59 0.77 -1.30 0.00 0.00 177.93 177.41 1z8m h SER 85 N 0.00 0.00 0.05 3.26 0.02 -1.95 -2.56 113.55 112.37 1z8m h SER 85 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1z8m h SER 85 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1z8m h SER 85 CO 0.03 0.99 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.61 1z8m h GLU 86 N 0.00 -0.07 -0.11 3.45 4.81 -1.86 -3.35 114.58 117.45 1z8m h GLU 86 Ca -0.24 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1z8m h GLU 86 Cb 1.97 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 1z8m h GLU 86 CO 0.09 -0.05 -0.46 -0.07 -0.73 0.00 0.00 179.01 177.79 1z8m h LEU 87 N -0.21 0.27 -0.94 1.64 3.38 -1.34 -3.47 115.31 114.65 1z8m h LEU 87 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1z8m h LEU 87 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1z8m h LEU 87 CO 0.01 0.69 0.00 0.49 0.09 0.00 0.00 178.44 179.73