#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 0.29 0.62 4.03 0.05 -1.26 -5.06 118.68 117.34 1z8m s LEU 2 Ca 0.00 0.17 -0.18 0.00 0.05 0.00 0.00 54.13 54.17 1z8m s LEU 2 Cb 0.00 1.79 -0.02 0.00 -2.05 0.00 0.00 46.19 45.91 1z8m s LEU 2 CO 0.00 -0.60 1.19 -0.75 -0.55 0.00 0.00 176.35 175.63 1z8m s LYS 3 N -1.93 2.86 0.19 1.48 2.36 -1.26 -4.75 119.74 118.68 1z8m s LYS 3 Ca -0.09 1.74 0.11 0.00 -2.55 0.00 0.00 55.97 55.18 1z8m s LYS 3 Cb -0.02 -1.93 -0.04 0.00 -1.05 0.00 0.00 37.83 34.79 1z8m s LYS 3 CO 0.02 -1.27 -0.23 -1.17 1.55 0.00 0.00 175.35 174.25 1z8m s LEU 4 N -4.31 2.43 0.05 5.43 0.20 -1.16 0.83 118.68 122.15 1z8m s LEU 4 Ca 0.75 -0.86 -0.10 0.00 0.69 0.00 0.00 54.13 54.60 1z8m s LEU 4 Cb -0.28 -1.09 0.01 0.00 -0.43 0.00 0.00 46.19 44.40 1z8m s LEU 4 CO 0.35 0.09 0.22 0.21 -0.29 0.00 0.00 176.35 176.93 1z8m s ASN 5 N -2.66 0.01 -0.10 3.68 3.84 -0.73 -4.87 114.94 114.11 1z8m s ASN 5 Ca 0.19 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.91 1z8m s ASN 5 Cb -0.07 0.32 0.01 0.00 -0.55 0.00 0.00 41.25 40.95 1z8m s ASN 5 CO 0.09 -0.60 -0.16 -0.76 -2.79 0.00 0.00 177.10 172.87 1z8m s LEU 6 N -2.23 1.78 0.22 3.21 1.02 -1.26 0.56 118.68 121.99 1z8m s LEU 6 Ca -0.03 -0.44 0.05 0.00 0.02 0.00 0.00 54.13 53.73 1z8m s LEU 6 Cb 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 45.07 1z8m s LEU 6 CO -0.05 0.04 0.33 -0.54 0.02 0.00 0.00 176.35 176.15 1z8m s LYS 7 N 0.83 3.39 0.45 1.70 -0.14 -1.19 -4.96 119.74 119.83 1z8m s LYS 7 Ca -0.10 -0.75 0.12 0.00 -1.36 0.00 0.00 55.97 53.88 1z8m s LYS 7 Cb -0.16 -2.88 1.01 0.00 -1.68 0.00 0.00 37.83 34.13 1z8m s LYS 7 CO 0.01 0.45 2.06 -0.22 -0.76 0.00 0.00 175.35 176.88 1z8m h LYS 8 N 1.39 0.22 0.00 1.68 3.64 -1.92 -1.37 116.57 120.22 1z8m h LYS 8 Ca -0.51 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 1z8m h LYS 8 Cb 1.22 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1z8m h LYS 8 CO 0.62 0.21 -0.27 0.77 -2.27 0.00 0.00 179.45 178.51 1z8m h SER 9 N 0.23 0.00 0.50 4.20 0.02 -1.95 -1.80 113.55 114.74 1z8m h SER 9 Ca 0.06 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 1z8m h SER 9 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1z8m h SER 9 CO -0.00 0.27 -0.73 0.15 -1.14 0.00 0.00 176.83 175.38 1z8m h PHE 10 N 0.00 0.26 0.00 3.45 3.57 -0.64 -0.06 116.94 123.53 1z8m h PHE 10 Ca -0.00 -0.12 -0.20 0.00 3.53 0.00 0.00 57.97 61.17 1z8m h PHE 10 Cb 0.52 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1z8m h PHE 10 CO 0.00 0.85 -0.97 1.96 -2.23 0.00 0.00 178.31 177.92 1z8m h GLN 11 N 0.13 0.00 0.00 1.11 1.08 -1.34 -3.13 115.11 112.96 1z8m h GLN 11 Ca -0.02 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1z8m h GLN 11 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1z8m h GLN 11 CO 0.11 0.97 -0.81 0.36 -0.95 0.00 0.00 178.83 178.50 1z8m n LYS 12 N -3.39 0.38 0.05 1.46 -0.00 -0.71 -2.54 118.16 113.40 1z8m n LYS 12 Ca -0.00 0.08 -0.08 0.00 -0.00 0.00 0.00 58.31 58.30 1z8m n LYS 12 Cb 0.91 -1.70 -0.13 0.00 -0.00 0.00 0.00 35.03 34.11 1z8m n LYS 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1z8m h ASP 13 N 0.00 0.04 0.00 -5.58 5.19 -1.04 -2.91 116.42 112.12 1z8m h ASP 13 Ca 0.00 -0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.19 1z8m h ASP 13 Cb 0.81 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 1z8m h ASP 13 CO 0.00 1.04 -1.09 0.33 -3.12 0.00 0.00 179.24 176.40 1z8m n PHE 14 N -3.32 0.95 -0.25 4.55 -0.00 -1.18 -2.58 117.46 115.63 1z8m n PHE 14 Ca -0.04 0.41 0.21 0.00 -0.00 0.00 0.00 57.45 58.03 1z8m n PHE 14 Cb 0.97 -1.00 0.54 0.00 -0.00 0.00 0.00 39.48 39.99 1z8m n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1z8m h ASP 15 N -1.00 0.36 1.17 -2.13 3.32 -1.67 1.15 116.42 117.63 1z8m h ASP 15 Ca -0.26 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.66 1z8m h ASP 15 Cb 1.08 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1z8m h ASP 15 CO -0.16 0.13 -0.84 0.50 -1.72 0.00 0.00 179.24 177.16 1z8m h LYS 16 N 0.35 0.00 0.01 3.56 1.63 -1.66 -3.27 116.57 117.19 1z8m h LYS 16 Ca 0.48 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 60.05 1z8m h LYS 16 Cb 1.29 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.94 1z8m h LYS 16 CO -0.17 0.78 -0.91 -0.07 -3.45 0.00 0.00 179.45 175.63 1z8m h LEU 17 N 0.00 0.78 -1.68 5.20 3.38 0.70 -2.94 115.31 120.75 1z8m h LEU 17 Ca -0.02 -0.76 0.16 0.00 0.09 0.00 0.00 57.88 57.35 1z8m h LEU 17 Cb 1.62 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1z8m h LEU 17 CO 0.10 1.44 0.49 -0.07 0.09 0.00 0.00 178.44 180.49 1z8m h LEU 18 N 0.21 0.29 -0.40 1.67 4.07 0.89 0.33 115.31 122.37 1z8m h LEU 18 Ca -0.12 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1z8m h LEU 18 Cb 1.59 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.29 1z8m h LEU 18 CO 0.18 0.15 -0.29 0.18 -1.08 0.00 0.00 178.44 177.57 1z8m n LEU 19 N -4.45 0.92 -2.16 1.67 4.77 -1.21 -3.00 117.00 113.54 1z8m n LEU 19 Ca 0.14 -0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 1z8m n LEU 19 Cb 0.57 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1z8m n LEU 19 CO 0.34 0.18 1.34 -3.20 -1.33 0.00 0.00 177.39 174.71 1z8m n ASN 20 N -0.80 6.59 0.00 -1.43 4.05 0.12 -4.76 115.26 119.02 1z8m n ASN 20 Ca 0.11 -3.51 0.00 0.00 0.45 0.00 0.00 54.58 51.63 1z8m n ASN 20 Cb 0.34 -0.96 0.00 0.00 1.23 0.00 0.00 39.78 40.39 1z8m n ASN 20 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1z8m n GLY 21 N -0.58 0.61 3.22 8.20 0.00 -1.25 -5.02 105.19 110.36 1z8m n GLY 21 Ca 0.52 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 2.61 -0.02 1.61 2.19 -1.16 -5.06 117.98 116.15 1z8m s PHE 22 Ca 0.00 -1.11 -0.25 0.00 0.33 0.00 0.00 56.93 55.90 1z8m s PHE 22 Cb 0.00 -1.75 -0.04 0.00 -1.31 0.00 0.00 43.02 39.91 1z8m s PHE 22 CO 0.00 -0.47 0.77 0.34 1.83 0.00 0.00 175.22 177.69 1z8m s ASP 23 N 0.49 7.12 0.64 6.13 2.15 -1.26 -4.31 116.67 127.64 1z8m s ASP 23 Ca -0.15 1.35 0.35 0.00 0.43 0.00 0.00 52.55 54.53 1z8m s ASP 23 Cb -0.17 -2.46 1.94 0.00 -0.30 0.00 0.00 42.92 41.93 1z8m s ASP 23 CO 0.05 -0.11 2.15 -2.24 -0.17 0.00 0.00 175.17 174.86 1z8m h ASP 24 N 6.46 0.00 -0.45 -0.34 2.03 -1.98 -2.68 116.42 119.46 1z8m h ASP 24 Ca -0.42 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 55.97 1z8m h ASP 24 Cb 1.20 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.61 1z8m h ASP 24 CO 0.74 0.00 -0.29 -1.28 -1.03 0.00 0.00 179.24 177.38 1z8m h SER 25 N 0.00 -0.97 -0.22 4.15 0.87 -2.01 0.12 113.55 115.49 1z8m h SER 25 Ca 0.03 0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1z8m h SER 25 Cb 0.36 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1z8m h SER 25 CO -0.00 -0.29 -0.07 0.58 -0.53 0.00 0.00 176.83 176.52 1z8m h VAL 26 N -0.19 1.23 -0.41 2.23 2.07 -1.90 -2.40 116.25 116.88 1z8m h VAL 26 Ca 0.20 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1z8m h VAL 26 Cb 0.51 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1z8m h VAL 26 CO -0.56 0.32 0.27 0.25 0.02 0.00 0.00 177.57 177.88 1z8m h LEU 27 N 0.54 0.40 -0.32 2.57 5.85 -0.91 -2.19 115.31 121.24 1z8m h LEU 27 Ca 0.10 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1z8m h LEU 27 Cb 0.45 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1z8m h LEU 27 CO 0.02 0.28 0.19 -1.13 -0.34 0.00 0.00 178.44 177.46 1z8m h ASN 28 N 0.46 0.31 -0.81 1.25 -0.73 -0.54 -0.16 115.58 115.36 1z8m h ASN 28 Ca 0.16 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 1z8m h ASN 28 Cb 0.09 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.58 1z8m h ASN 28 CO -0.04 0.22 0.33 -0.33 -0.37 0.00 0.00 177.43 177.25 1z8m h GLU 29 N 0.39 1.20 0.00 6.67 5.08 -1.47 -0.82 114.58 125.63 1z8m h GLU 29 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1z8m h GLU 29 Cb -0.01 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1z8m h GLU 29 CO -0.05 0.96 0.00 0.28 -1.00 0.00 0.00 179.01 179.20 1z8m n VAL 30 N -4.28 0.00 -0.40 3.13 0.31 -0.97 -2.46 118.33 113.65 1z8m n VAL 30 Ca 0.07 1.06 0.34 0.00 -0.01 0.00 0.00 64.34 65.81 1z8m n VAL 30 Cb 0.18 -1.99 0.66 0.00 -0.91 0.00 0.00 33.84 31.79 1z8m n VAL 30 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1z8m h ILE 31 N 0.00 0.31 0.56 2.52 5.03 -1.13 0.55 117.51 125.36 1z8m h ILE 31 Ca 0.00 -0.05 -0.02 0.00 -0.12 0.00 0.00 64.86 64.67 1z8m h ILE 31 Cb 0.00 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 33.94 1z8m h ILE 31 CO 0.00 0.02 -0.51 0.25 -0.68 0.00 0.00 178.15 177.23 1z8m h LEU 32 N 0.14 -1.38 -2.08 1.44 6.46 -1.13 -0.90 115.31 117.85 1z8m h LEU 32 Ca 0.69 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 58.63 1z8m h LEU 32 Cb 2.32 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 42.68 1z8m h LEU 32 CO -0.20 -0.69 0.34 0.74 -0.62 0.00 0.00 178.44 178.00 1z8m h THR 33 N -1.06 0.32 0.27 1.05 2.02 -0.56 0.53 112.91 115.47 1z8m h THR 33 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1z8m h THR 33 Cb 0.90 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1z8m h THR 33 CO -0.03 0.00 -0.13 -0.07 0.37 0.00 0.00 175.52 175.66 1z8m h LEU 34 N 0.00 -0.31 -0.05 2.58 3.38 -0.91 -0.20 115.31 119.80 1z8m h LEU 34 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1z8m h LEU 34 Cb 0.80 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1z8m h LEU 34 CO -0.00 0.05 -0.02 0.03 0.09 0.00 0.00 178.44 178.59 1z8m h ARG 35 N -0.89 0.10 0.00 1.13 3.08 -0.84 -2.85 114.38 114.11 1z8m h ARG 35 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1z8m h ARG 35 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1z8m h ARG 35 CO 0.06 0.47 0.00 0.36 -1.07 0.00 0.00 179.97 179.79 1z8m n LYS 36 N -4.82 0.15 -3.32 0.04 -0.00 0.18 -4.93 118.16 105.46 1z8m n LYS 36 Ca -0.07 0.42 -0.10 0.00 -0.00 0.00 0.00 58.31 58.56 1z8m n LYS 36 Cb 0.23 -1.81 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 1z8m n LYS 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1z8m n LYS 37 N -2.10 -1.46 -2.85 -1.58 2.85 -0.40 -4.96 118.16 107.65 1z8m n LYS 37 Ca 0.02 1.27 -0.38 0.00 -1.05 0.00 0.00 58.31 58.16 1z8m n LYS 37 Cb 0.19 -4.44 -0.06 0.00 -0.65 0.00 0.00 35.03 30.07 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 -3.65 4.61 -0.38 -1.58 -6.30 -0.22 -4.96 118.70 106.21 1z8m s GLU 38 Ca 0.02 1.27 -0.27 0.00 -2.50 0.00 0.00 54.97 53.49 1z8m s GLU 38 Cb -0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 34.13 31.05 1z8m s GLU 38 CO 0.81 0.41 2.26 -1.25 0.02 0.00 0.00 175.26 177.50 1z8m s PRO 39 N -1.65 2.63 0.27 4.30 0.04 -1.26 -4.93 135.00 134.40 1z8m s PRO 39 Ca 0.44 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1z8m s PRO 39 Cb -0.21 -4.46 -0.10 0.00 0.04 0.00 0.00 34.50 29.77 1z8m s PRO 39 CO 0.26 -2.68 1.30 -0.51 0.04 0.00 0.00 177.00 175.42 1z8m s LEU 40 N 10.07 4.43 0.45 -3.56 1.43 -1.26 -5.02 118.68 125.23 1z8m s LEU 40 Ca 0.96 2.55 -0.06 0.00 -1.03 0.00 0.00 54.13 56.55 1z8m s LEU 40 Cb -0.24 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1z8m s LEU 40 CO 0.30 -0.51 0.77 -1.81 0.23 0.00 0.00 176.35 175.32 1z8m s ASP 41 N -0.16 6.34 0.49 2.29 1.01 -1.26 -4.98 116.67 120.40 1z8m s ASP 41 Ca 0.52 0.97 0.23 0.00 0.71 0.00 0.00 52.55 54.97 1z8m s ASP 41 Cb -0.38 -2.26 1.29 0.00 1.01 0.00 0.00 42.92 42.58 1z8m s ASP 41 CO 0.46 -0.51 2.04 1.55 0.21 0.00 0.00 175.17 178.92 1z8m h PRO 42 N 0.56 0.00 0.00 8.23 0.13 -2.02 -2.01 132.00 136.89 1z8m h PRO 42 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1z8m h PRO 42 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1z8m h PRO 42 CO 0.62 0.15 -0.06 1.96 -0.23 0.00 0.00 178.00 180.44 1z8m h GLN 43 N 0.00 0.00 -0.27 0.86 4.20 -1.98 -2.74 115.11 115.18 1z8m h GLN 43 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1z8m h GLN 43 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1z8m h GLN 43 CO 0.02 0.06 0.23 0.74 -0.67 0.00 0.00 178.83 179.21 1z8m h PHE 44 N 0.00 0.00 -5.04 2.96 -1.00 -1.60 -3.47 116.94 108.80 1z8m h PHE 44 Ca -0.00 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.60 1z8m h PHE 44 Cb 0.43 0.00 0.14 0.00 3.61 0.00 0.00 35.95 40.13 1z8m h PHE 44 CO 0.00 0.00 -0.62 1.04 -1.61 0.00 0.00 178.31 177.12 1z8m n GLN 45 N -4.09 -1.78 -2.87 1.51 6.02 -1.04 -2.67 117.38 112.47 1z8m n GLN 45 Ca 0.04 0.81 -0.44 0.00 -0.01 0.00 0.00 57.00 57.40 1z8m n GLN 45 Cb 0.38 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.53 1z8m n GLN 45 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1z8m n ASP 46 N -2.77 5.30 -3.11 1.08 5.75 -1.26 -4.22 116.55 117.32 1z8m n ASP 46 Ca -0.05 -3.04 -0.16 0.00 -0.01 0.00 0.00 54.79 51.53 1z8m n ASP 46 Cb 0.59 -1.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.13 1z8m n ASP 46 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1z8m n HIS 47 N 4.65 0.33 -1.90 2.11 8.25 -1.07 -4.89 115.22 122.71 1z8m n HIS 47 Ca 0.35 -1.42 -0.30 0.00 -0.26 0.00 0.00 57.72 56.09 1z8m n HIS 47 Cb 0.40 -0.08 0.07 0.00 1.12 0.00 0.00 29.99 31.49 1z8m n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1z8m s ALA 48 N -2.56 2.79 0.00 -1.41 0.00 -1.26 0.33 121.76 119.65 1z8m s ALA 48 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1z8m s ALA 48 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1z8m s ALA 48 CO 0.05 -1.38 0.00 1.28 0.00 0.00 0.00 175.76 175.71 1z8m n LEU 49 N -3.14 0.00 -4.28 0.00 4.32 -1.23 -4.72 117.00 107.95 1z8m n LEU 49 Ca 0.07 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.84 1z8m n LEU 49 Cb 0.59 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.27 1z8m n LEU 49 CO 0.57 -0.29 -0.50 -0.54 -1.22 0.00 0.00 177.39 175.41 1z8m s LYS 50 N -0.88 1.11 1.89 3.23 3.01 -1.26 -4.57 119.74 122.26 1z8m s LYS 50 Ca 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 55.97 53.77 1z8m s LYS 50 Cb 0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 37.83 35.55 1z8m s LYS 50 CO 0.00 0.28 0.00 0.41 0.51 0.00 0.00 175.35 176.55 1z8m n GLY 51 N 0.91 0.77 0.05 -3.33 0.00 -1.26 -3.94 105.19 98.39 1z8m n GLY 51 Ca -0.18 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.67 1z8m n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1z8m n LYS 52 N 4.73 0.08 -1.18 1.61 4.81 -1.26 -2.96 118.16 123.98 1z8m n LYS 52 Ca 0.00 0.31 -0.29 0.00 -0.87 0.00 0.00 58.31 57.47 1z8m n LYS 52 Cb 0.00 -1.64 0.07 0.00 0.02 0.00 0.00 35.03 33.48 1z8m n LYS 52 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1z8m n TRP 53 N -1.79 2.69 -0.03 5.64 8.01 -1.25 -4.56 117.44 126.16 1z8m n TRP 53 Ca 0.03 -2.63 -0.13 0.00 -1.31 0.00 0.00 57.50 53.46 1z8m n TRP 53 Cb 0.20 -1.27 -0.11 0.00 -2.01 0.00 0.00 31.31 28.12 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 1.77 -0.01 0.00 -0.99 3.64 -1.78 -3.20 116.57 115.99 1z8m h LYS 54 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1z8m h LYS 54 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1z8m h LYS 54 CO 1.31 0.61 0.00 -0.35 -2.27 0.00 0.00 179.45 178.75 1z8m n PRO 55 N -4.79 0.72 -3.29 1.90 -0.04 -1.26 -4.72 135.00 123.52 1z8m n PRO 55 Ca -0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.15 1z8m n PRO 55 Cb 0.31 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.00 1.28 -0.11 0.54 0.08 -1.21 -4.56 117.98 112.01 1z8m s PHE 56 Ca 0.33 -0.80 -0.07 0.00 0.12 0.00 0.00 56.93 56.51 1z8m s PHE 56 Cb 0.15 -2.10 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1z8m s PHE 56 CO 0.26 -1.05 0.26 0.50 -0.10 0.00 0.00 175.22 175.08 1z8m s ARG 57 N -4.60 0.26 0.37 0.44 3.52 -0.07 -4.18 118.95 114.69 1z8m s ARG 57 Ca 0.54 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.64 1z8m s ARG 57 Cb -0.04 0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 1z8m s ARG 57 CO 0.34 -0.11 0.56 -2.00 -0.81 0.00 0.00 175.30 173.28 1z8m s GLU 58 N 0.78 3.23 -0.30 5.12 2.12 0.15 0.04 118.70 129.84 1z8m s GLU 58 Ca -0.05 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 1z8m s GLU 58 Cb -0.06 -2.68 0.19 0.00 0.26 0.00 0.00 34.13 31.83 1z8m s GLU 58 CO -0.05 -0.00 0.72 0.00 -0.54 0.00 0.00 175.26 175.39 1z8m s HIS 60 N 2.88 2.67 0.37 0.00 0.09 -1.09 0.24 115.29 120.44 1z8m s HIS 60 Ca 0.15 -0.74 0.25 0.00 -0.00 0.00 0.00 55.06 54.72 1z8m s HIS 60 Cb -0.11 -4.46 1.29 0.00 -0.00 0.00 0.00 32.58 29.30 1z8m s HIS 60 CO -0.21 -1.77 2.01 0.82 -0.00 0.00 0.00 174.74 175.59 1z8m h ILE 61 N 6.16 0.64 -4.55 0.60 5.03 -1.84 -3.41 117.51 120.12 1z8m h ILE 61 Ca -0.05 -0.69 -0.23 0.00 -0.12 0.00 0.00 64.86 63.77 1z8m h ILE 61 Cb 1.04 1.44 -0.15 0.00 -3.03 0.00 0.00 36.82 36.12 1z8m h ILE 61 CO 1.24 0.16 -0.60 -0.54 -0.68 0.00 0.00 178.15 177.73 1z8m s LYS 62 N -4.12 1.21 0.00 2.37 1.02 -1.26 -5.01 119.74 113.95 1z8m s LYS 62 Ca -0.02 -1.61 0.15 0.00 0.02 0.00 0.00 55.97 54.51 1z8m s LYS 62 Cb 0.13 0.28 0.91 0.00 -0.52 0.00 0.00 37.83 38.63 1z8m s LYS 62 CO 0.61 -0.40 1.33 -2.30 -0.92 0.00 0.00 175.35 173.67 1z8m n PRO 63 N -0.27 0.54 -0.86 -1.68 -0.02 -1.26 -2.62 135.00 128.83 1z8m n PRO 63 Ca 0.02 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.50 1z8m n PRO 63 Cb 0.66 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1z8m n PRO 63 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1z8m n ASP 64 N -0.94 0.23 -4.08 2.55 -0.08 -1.26 -5.01 116.55 107.95 1z8m n ASP 64 Ca 0.11 -1.87 -0.12 0.00 -1.51 0.00 0.00 54.79 51.41 1z8m n ASP 64 Cb 0.05 -0.16 -0.11 0.00 2.34 0.00 0.00 41.12 43.24 1z8m n ASP 64 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1z8m s VAL 65 N 0.00 0.53 -0.18 5.18 1.01 -1.08 -4.49 120.40 121.37 1z8m s VAL 65 Ca 0.11 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 1z8m s VAL 65 Cb 0.12 -0.91 0.09 0.00 0.00 0.00 0.00 36.38 35.68 1z8m s VAL 65 CO -0.05 -0.55 0.23 -0.76 0.00 0.00 0.00 175.10 173.96 1z8m s LEU 66 N -2.02 -0.16 -0.18 3.92 1.43 0.14 -3.99 118.68 117.83 1z8m s LEU 66 Ca -0.04 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1z8m s LEU 66 Cb -0.05 0.45 -0.03 0.00 0.03 0.00 0.00 46.19 46.59 1z8m s LEU 66 CO -0.02 -0.31 0.01 -0.22 0.23 0.00 0.00 176.35 176.05 1z8m s LEU 67 N 2.35 3.49 -0.12 1.79 2.96 0.14 0.10 118.68 129.38 1z8m s LEU 67 Ca 0.06 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1z8m s LEU 67 Cb -0.15 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1z8m s LEU 67 CO -0.11 0.15 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.35 1z8m s VAL 68 N 0.51 4.03 0.15 1.68 1.01 0.12 0.95 120.40 128.85 1z8m s VAL 68 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1z8m s VAL 68 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1z8m s VAL 68 CO 0.02 0.54 0.18 -0.72 0.00 0.00 0.00 175.10 175.12 1z8m s TYR 69 N -0.15 0.62 0.20 5.22 -0.85 0.11 0.98 117.35 123.47 1z8m s TYR 69 Ca 0.03 -0.99 0.04 0.00 -0.52 0.00 0.00 57.07 55.64 1z8m s TYR 69 Cb -0.13 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 1z8m s TYR 69 CO 0.02 -0.63 0.32 -1.17 -1.52 0.00 0.00 175.55 172.57 1z8m s LEU 70 N -3.01 4.31 -0.37 -3.49 2.96 0.16 -0.90 118.68 118.35 1z8m s LEU 70 Ca 0.21 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1z8m s LEU 70 Cb 0.05 -2.86 0.09 0.00 0.50 0.00 0.00 46.19 43.96 1z8m s LEU 70 CO 0.01 -0.01 0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 1z8m s VAL 71 N -1.87 3.24 0.59 1.68 1.01 -1.26 -2.64 120.40 121.16 1z8m s VAL 71 Ca 0.34 -1.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1z8m s VAL 71 Cb -0.10 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1z8m s VAL 71 CO 0.29 -0.47 0.95 -0.75 0.00 0.00 0.00 175.10 175.11 1z8m s LYS 72 N 1.20 3.32 0.43 2.72 2.20 0.25 -4.93 119.74 124.93 1z8m s LYS 72 Ca 0.03 0.40 0.27 0.00 -0.36 0.00 0.00 55.97 56.32 1z8m s LYS 72 Cb -0.22 -2.19 1.35 0.00 -1.51 0.00 0.00 37.83 35.27 1z8m s LYS 72 CO -0.03 -0.58 1.67 -0.44 -0.36 0.00 0.00 175.35 175.61 1z8m h ASP 73 N -0.21 0.29 0.00 1.43 3.32 -2.04 -3.06 116.42 116.15 1z8m h ASP 73 Ca -0.45 0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.58 1z8m h ASP 73 Cb 1.22 0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.68 1z8m h ASP 73 CO 0.62 -0.11 -0.43 -0.90 -1.72 0.00 0.00 179.24 176.70 1z8m n ASP 74 N -4.66 -0.58 -3.68 6.45 5.75 -1.26 -5.13 116.55 113.45 1z8m n ASP 74 Ca 0.34 -1.97 -0.12 0.00 -0.01 0.00 0.00 54.79 53.03 1z8m n ASP 74 Cb 1.29 0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 41.49 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1z8m s GLU 75 N 0.00 0.94 -0.02 0.11 2.02 -1.16 -4.37 118.70 116.23 1z8m s GLU 75 Ca 0.07 -0.52 0.08 0.00 0.02 0.00 0.00 54.97 54.61 1z8m s GLU 75 Cb 0.08 0.42 -0.02 0.00 0.10 0.00 0.00 34.13 34.70 1z8m s GLU 75 CO -0.03 -0.33 -0.25 -1.17 0.02 0.00 0.00 175.26 173.49 1z8m s LEU 76 N -2.30 2.09 -0.05 1.80 2.96 0.24 0.88 118.68 124.30 1z8m s LEU 76 Ca -0.02 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1z8m s LEU 76 Cb 0.00 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.36 1z8m s LEU 76 CO -0.06 0.32 -0.05 0.27 -1.32 0.00 0.00 176.35 175.51 1z8m s ILE 77 N -0.61 0.64 0.30 6.68 -5.25 -1.08 -1.77 121.20 120.12 1z8m s ILE 77 Ca 0.10 -0.16 -0.29 0.00 -0.99 0.00 0.00 60.65 59.31 1z8m s ILE 77 Cb -0.10 -0.66 -0.10 0.00 2.95 0.00 0.00 42.46 44.55 1z8m s ILE 77 CO -0.01 0.26 1.22 -0.76 -1.79 0.00 0.00 174.94 173.86 1z8m s LEU 78 N 1.05 4.48 0.00 0.37 1.43 0.19 0.39 118.68 126.59 1z8m s LEU 78 Ca -0.09 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1z8m s LEU 78 Cb -0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1z8m s LEU 78 CO -0.01 -0.36 0.00 -0.11 0.23 0.00 0.00 176.35 176.10 1z8m n LEU 79 N 1.03 0.00 -3.97 1.79 -0.00 0.28 -3.18 117.00 112.94 1z8m n LEU 79 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1z8m n LEU 79 Cb 0.43 -0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 1z8m n LEU 79 CO 0.57 -0.31 0.27 0.00 -0.00 0.00 0.00 177.39 177.91 1z8m s ARG 80 N -0.63 1.84 -0.01 1.96 3.03 -0.68 -2.03 118.95 122.42 1z8m s ARG 80 Ca 0.00 -1.43 0.08 0.00 2.03 0.00 0.00 55.73 56.41 1z8m s ARG 80 Cb 0.00 0.51 -0.02 0.00 -1.03 0.00 0.00 34.95 34.41 1z8m s ARG 80 CO 0.00 -0.79 -0.25 -1.17 -1.13 0.00 0.00 175.30 171.96 1z8m s LEU 81 N -3.09 2.07 0.00 -1.89 1.98 -1.26 -0.70 118.68 115.78 1z8m s LEU 81 Ca 0.23 -0.47 -0.00 0.00 -2.89 0.00 0.00 54.13 51.00 1z8m s LEU 81 Cb -0.02 -1.27 0.00 0.00 0.66 0.00 0.00 46.19 45.56 1z8m s LEU 81 CO 0.13 0.30 0.32 0.61 -1.89 0.00 0.00 176.35 175.82 1z8m n GLY 82 N 2.37 2.55 0.67 7.98 0.00 0.29 -4.72 105.19 114.32 1z8m n GLY 82 Ca -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 1z8m n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1z8m n SER 83 N -1.82 -0.12 0.15 1.61 2.88 -1.26 0.27 113.62 115.32 1z8m n SER 83 Ca 0.01 -1.46 0.01 0.00 -1.33 0.00 0.00 58.87 56.10 1z8m n SER 83 Cb 0.42 0.35 0.21 0.00 -0.75 0.00 0.00 64.21 64.44 1z8m n SER 83 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1z8m h HIS 84 N 1.22 0.00 0.00 0.66 2.76 -1.92 -1.57 115.15 116.30 1z8m h HIS 84 Ca -0.05 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.03 1z8m h HIS 84 Cb 0.25 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1z8m h HIS 84 CO 0.00 0.55 -1.21 0.45 -1.30 0.00 0.00 177.93 176.41 1z8m n SER 85 N -3.70 0.86 0.00 3.26 2.88 -1.26 -3.06 113.62 112.61 1z8m n SER 85 Ca -0.01 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1z8m n SER 85 Cb 0.59 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1z8m n SER 85 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1z8m n GLU 86 N -2.79 0.00 -0.34 -1.46 0.00 -1.17 -4.47 120.64 110.40 1z8m n GLU 86 Ca -0.05 0.32 -0.03 0.00 0.00 0.00 0.00 57.16 57.39 1z8m n GLU 86 Cb 0.70 -0.80 0.09 0.00 0.00 0.00 0.00 31.44 31.43 1z8m n GLU 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1z8m h LEU 87 N 0.00 1.08 -1.48 4.31 3.38 -1.53 -3.47 115.31 117.60 1z8m h LEU 87 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1z8m h LEU 87 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1z8m h LEU 87 CO 0.00 0.80 0.00 0.49 0.09 0.00 0.00 178.44 179.82