#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8m n LEU 2 N 0.00 -0.46 -4.85 -0.89 -0.00 -1.26 -4.98 117.00 104.56 1z8m n LEU 2 Ca 0.00 0.04 -0.32 0.00 -0.00 0.00 0.00 56.01 55.73 1z8m n LEU 2 Cb 0.00 -1.23 -0.04 0.00 -0.00 0.00 0.00 43.42 42.15 1z8m n LEU 2 CO 0.00 -3.06 0.59 -0.75 -0.00 0.00 0.00 177.39 174.17 1z8m s LYS 3 N -4.12 3.92 0.07 1.47 2.36 -1.25 -4.84 119.74 117.34 1z8m s LYS 3 Ca 0.64 0.79 0.09 0.00 -2.55 0.00 0.00 55.97 54.94 1z8m s LYS 3 Cb -0.21 -2.24 -0.03 0.00 -1.05 0.00 0.00 37.83 34.30 1z8m s LYS 3 CO 0.64 -0.15 -0.24 -1.17 1.55 0.00 0.00 175.35 175.98 1z8m s LEU 4 N -3.87 2.21 0.29 5.43 2.96 -1.22 0.12 118.68 124.60 1z8m s LEU 4 Ca 0.56 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1z8m s LEU 4 Cb -0.10 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1z8m s LEU 4 CO 0.29 0.19 0.15 0.21 -1.32 0.00 0.00 176.35 175.88 1z8m s ASN 5 N -1.46 1.40 -0.07 3.68 2.47 -0.45 -4.90 114.94 115.61 1z8m s ASN 5 Ca 0.10 -1.53 -0.05 0.00 0.42 0.00 0.00 52.86 51.80 1z8m s ASN 5 Cb -0.10 0.36 0.02 0.00 -1.45 0.00 0.00 41.25 40.09 1z8m s ASN 5 CO 0.03 -0.87 0.17 -0.76 -3.72 0.00 0.00 177.10 171.95 1z8m s LEU 6 N -3.35 1.22 0.43 3.21 1.02 -1.26 -0.52 118.68 119.43 1z8m s LEU 6 Ca 0.36 0.34 0.08 0.00 0.02 0.00 0.00 54.13 54.93 1z8m s LEU 6 Cb 0.05 0.55 -0.01 0.00 0.02 0.00 0.00 46.19 46.80 1z8m s LEU 6 CO 0.17 -0.08 0.42 -0.54 0.02 0.00 0.00 176.35 176.34 1z8m s LYS 7 N 0.31 2.53 0.52 1.70 -0.14 -0.87 -4.91 119.74 118.88 1z8m s LYS 7 Ca -0.02 -1.55 0.17 0.00 -1.36 0.00 0.00 55.97 53.22 1z8m s LYS 7 Cb -0.03 -2.41 1.28 0.00 -1.68 0.00 0.00 37.83 34.99 1z8m s LYS 7 CO -0.01 -0.27 2.13 -0.22 -0.76 0.00 0.00 175.35 176.22 1z8m h LYS 8 N 0.93 0.01 0.29 1.68 3.64 -1.91 -0.78 116.57 120.42 1z8m h LYS 8 Ca -0.40 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1z8m h LYS 8 Cb 1.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1z8m h LYS 8 CO 0.55 0.01 -0.14 1.03 -2.27 0.00 0.00 179.45 178.63 1z8m h SER 9 N 0.01 -0.33 -0.44 4.20 0.87 -1.95 -2.95 113.55 112.97 1z8m h SER 9 Ca 0.04 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1z8m h SER 9 Cb 0.14 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1z8m h SER 9 CO -0.00 0.13 0.29 0.15 -0.53 0.00 0.00 176.83 176.88 1z8m h PHE 10 N -0.91 0.47 -0.77 2.24 3.57 -0.75 0.34 116.94 121.13 1z8m h PHE 10 Ca -0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1z8m h PHE 10 Cb 0.51 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1z8m h PHE 10 CO 0.04 0.28 0.48 1.96 -2.23 0.00 0.00 178.31 178.85 1z8m h GLN 11 N 0.50 1.04 0.00 1.11 4.20 -1.16 0.19 115.11 120.98 1z8m h GLN 11 Ca 0.18 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1z8m h GLN 11 Cb 0.09 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1z8m h GLN 11 CO -0.04 0.72 -0.82 0.87 -0.67 0.00 0.00 178.83 178.89 1z8m h LYS 12 N 1.06 0.00 0.00 1.46 1.57 -1.17 -3.32 116.57 116.17 1z8m h LYS 12 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1z8m h LYS 12 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1z8m h LYS 12 CO -0.06 0.00 -0.62 -0.25 -0.57 0.00 0.00 179.45 177.96 1z8m n ASP 13 N -2.26 0.58 -0.00 0.86 8.00 0.11 -1.74 116.55 122.10 1z8m n ASP 13 Ca 0.02 -0.22 -0.00 0.00 0.71 0.00 0.00 54.79 55.30 1z8m n ASP 13 Cb 0.47 0.34 -0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1z8m n ASP 13 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1z8m n PHE 14 N -1.67 0.01 -0.02 1.24 -0.00 0.62 -4.17 117.46 113.47 1z8m n PHE 14 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.42 1z8m n PHE 14 Cb 0.37 -0.25 -0.14 0.00 -0.00 0.00 0.00 39.48 39.46 1z8m n PHE 14 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1z8m n ASP 15 N -2.29 0.82 0.18 -2.13 -0.08 -1.25 -3.49 116.55 108.31 1z8m n ASP 15 Ca -0.00 0.39 0.13 0.00 -1.51 0.00 0.00 54.79 53.80 1z8m n ASP 15 Cb 0.00 0.02 0.30 0.00 2.34 0.00 0.00 41.12 43.79 1z8m n ASP 15 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1z8m h LYS 16 N 0.00 0.00 0.08 -0.67 1.79 -1.68 -3.21 116.57 112.87 1z8m h LYS 16 Ca -0.29 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 57.87 1z8m h LYS 16 Cb 1.99 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.61 1z8m h LYS 16 CO 0.07 0.00 -1.66 1.25 -1.08 0.00 0.00 179.45 178.04 1z8m h LEU 17 N 0.00 0.25 -0.44 2.94 5.85 -1.48 -3.25 115.31 119.18 1z8m h LEU 17 Ca 0.00 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1z8m h LEU 17 Cb 0.84 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1z8m h LEU 17 CO 0.00 1.37 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.34 1z8m h LEU 18 N 0.04 -0.31 -0.46 2.25 4.07 -1.59 0.15 115.31 119.47 1z8m h LEU 18 Ca -0.28 0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1z8m h LEU 18 Cb 2.00 0.24 0.00 0.00 1.08 0.00 0.00 40.66 43.98 1z8m h LEU 18 CO 0.12 -0.11 0.00 0.00 -1.08 0.00 0.00 178.44 177.37 1z8m n LEU 19 N -5.28 0.70 -2.18 1.67 -0.00 -1.25 -2.55 117.00 108.11 1z8m n LEU 19 Ca 0.04 -0.27 -0.25 0.00 -0.00 0.00 0.00 56.01 55.53 1z8m n LEU 19 Cb 0.24 -0.03 0.15 0.00 -0.00 0.00 0.00 43.42 43.78 1z8m n LEU 19 CO 0.15 0.13 1.28 -3.20 -0.00 0.00 0.00 177.39 175.75 1z8m n ASN 20 N -0.38 4.48 0.00 1.45 4.05 0.51 -4.80 115.26 120.58 1z8m n ASN 20 Ca 0.18 -3.55 0.00 0.00 0.45 0.00 0.00 54.58 51.66 1z8m n ASN 20 Cb 0.20 -0.85 0.00 0.00 1.23 0.00 0.00 39.78 40.35 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 -0.99 0.69 3.76 8.20 0.00 -1.24 -5.00 105.19 110.61 1z8m n GLY 21 Ca 0.57 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 3.35 -0.68 1.61 2.19 -1.06 -5.04 117.98 116.36 1z8m s PHE 22 Ca 0.00 0.33 -0.26 0.00 0.33 0.00 0.00 56.93 57.33 1z8m s PHE 22 Cb 0.00 -1.87 -0.02 0.00 -1.31 0.00 0.00 43.02 39.81 1z8m s PHE 22 CO 0.00 0.56 1.84 0.34 1.83 0.00 0.00 175.22 179.79 1z8m s ASP 23 N -0.86 5.31 0.16 6.13 2.15 -1.26 -4.65 116.67 123.65 1z8m s ASP 23 Ca 0.13 0.06 0.19 0.00 0.43 0.00 0.00 52.55 53.36 1z8m s ASP 23 Cb -0.12 -2.54 0.81 0.00 -0.30 0.00 0.00 42.92 40.77 1z8m s ASP 23 CO 0.03 -2.41 1.57 -0.90 -0.17 0.00 0.00 175.17 173.29 1z8m n ASP 24 N 12.77 0.38 0.19 -0.34 5.68 -1.26 -2.29 116.55 131.69 1z8m n ASP 24 Ca 0.24 0.60 0.07 0.00 -0.50 0.00 0.00 54.79 55.20 1z8m n ASP 24 Cb 0.51 -0.68 0.31 0.00 -1.14 0.00 0.00 41.12 40.12 1z8m n ASP 24 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1z8m h SER 25 N 0.00 0.00 0.96 -1.12 4.64 -1.99 -3.13 113.55 112.91 1z8m h SER 25 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1z8m h SER 25 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1z8m h SER 25 CO 0.00 0.33 -1.11 1.62 -0.87 0.00 0.00 176.83 176.80 1z8m h VAL 26 N 0.00 0.74 -0.53 0.95 3.04 -1.87 -3.34 116.25 115.25 1z8m h VAL 26 Ca -0.00 -2.24 -0.06 0.00 -1.01 0.00 0.00 66.70 63.39 1z8m h VAL 26 Cb 0.95 2.25 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 1z8m h VAL 26 CO 0.04 0.42 0.09 0.17 -1.01 0.00 0.00 177.57 177.28 1z8m h LEU 27 N 0.00 0.79 -2.20 3.16 8.10 -1.61 -2.28 115.31 121.28 1z8m h LEU 27 Ca -0.11 -0.16 0.03 0.00 0.11 0.00 0.00 57.88 57.75 1z8m h LEU 27 Cb 1.57 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 41.57 1z8m h LEU 27 CO 0.06 0.81 0.27 -1.13 -4.11 0.00 0.00 178.44 174.34 1z8m h ASN 28 N 0.80 0.00 0.06 0.17 -1.24 -1.67 0.64 115.58 114.34 1z8m h ASN 28 Ca 0.17 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.97 1z8m h ASN 28 Cb 0.36 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1z8m h ASN 28 CO 0.01 0.00 -1.09 -0.33 -1.29 0.00 0.00 177.43 174.73 1z8m h GLU 29 N 0.00 0.12 -0.02 6.67 4.39 -1.62 -3.15 114.58 120.98 1z8m h GLU 29 Ca 0.05 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 1z8m h GLU 29 Cb 0.59 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1z8m h GLU 29 CO -0.00 1.10 -0.35 -0.24 -1.16 0.00 0.00 179.01 178.36 1z8m h VAL 30 N -0.65 1.48 0.00 3.13 3.04 -1.28 -3.13 116.25 118.84 1z8m h VAL 30 Ca -0.26 -1.91 0.00 0.00 -1.01 0.00 0.00 66.70 63.53 1z8m h VAL 30 Cb 1.48 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 33.35 1z8m h VAL 30 CO -0.03 0.54 0.00 0.40 -1.01 0.00 0.00 177.57 177.46 1z8m h ILE 31 N -0.31 0.00 0.00 3.17 5.03 0.05 -2.04 117.51 123.40 1z8m h ILE 31 Ca -0.04 -0.18 -0.17 0.00 -0.12 0.00 0.00 64.86 64.35 1z8m h ILE 31 Cb 1.06 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 35.72 1z8m h ILE 31 CO 0.07 0.00 -0.82 0.25 -0.68 0.00 0.00 178.15 176.97 1z8m h LEU 32 N 0.00 0.00 0.00 1.44 6.46 -1.50 -1.77 115.31 119.95 1z8m h LEU 32 Ca 0.00 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.54 1z8m h LEU 32 Cb 0.25 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 1z8m h LEU 32 CO 0.00 0.79 -1.36 0.74 -0.62 0.00 0.00 178.44 177.99 1z8m h THR 33 N 0.00 0.87 0.04 1.05 2.02 -1.36 -3.28 112.91 112.25 1z8m h THR 33 Ca -0.02 -2.53 -0.31 0.00 0.77 0.00 0.00 66.41 64.32 1z8m h THR 33 Cb 1.61 2.36 -0.04 0.00 -1.74 0.00 0.00 68.15 70.34 1z8m h THR 33 CO 0.10 0.50 -1.80 0.18 0.37 0.00 0.00 175.52 174.87 1z8m n LEU 34 N -3.06 1.41 -1.44 2.58 4.77 -1.04 -3.18 117.00 117.03 1z8m n LEU 34 Ca -0.09 0.35 0.04 0.00 -0.03 0.00 0.00 56.01 56.28 1z8m n LEU 34 Cb 0.93 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 42.06 1z8m n LEU 34 CO 0.44 0.53 0.68 0.54 -1.33 0.00 0.00 177.39 178.25 1z8m n ARG 35 N -3.18 3.59 0.00 3.23 1.74 -0.66 -4.33 116.66 117.05 1z8m n ARG 35 Ca -0.21 -2.11 -0.03 0.00 -0.77 0.00 0.00 57.85 54.72 1z8m n ARG 35 Cb 1.05 -2.01 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1z8m n ARG 35 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1z8m n LYS 36 N 0.40 0.11 0.00 5.56 5.02 -1.24 -4.98 118.16 123.03 1z8m n LYS 36 Ca 0.19 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1z8m n LYS 36 Cb 0.90 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 1z8m n LYS 36 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1z8m n LYS 37 N -3.51 0.00 -2.05 1.97 2.85 -1.26 -5.12 118.16 111.05 1z8m n LYS 37 Ca -0.06 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.77 1z8m n LYS 37 Cb 0.29 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.65 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 3.52 0.66 -1.58 2.56 -1.19 -4.99 118.70 117.68 1z8m s GLU 38 Ca 0.00 1.49 -0.14 0.00 0.00 0.00 0.00 54.97 56.33 1z8m s GLU 38 Cb 0.00 -4.13 -0.00 0.00 2.00 0.00 0.00 34.13 31.99 1z8m s GLU 38 CO 0.00 -1.64 1.08 -1.25 -0.56 0.00 0.00 175.26 172.89 1z8m s PRO 39 N 5.27 2.95 0.38 4.30 0.04 -1.26 -4.40 135.00 142.27 1z8m s PRO 39 Ca 0.76 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.72 1z8m s PRO 39 Cb -0.23 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1z8m s PRO 39 CO 0.32 -1.11 1.32 -0.51 0.04 0.00 0.00 177.00 177.06 1z8m s LEU 40 N -5.04 4.27 0.35 -3.56 1.43 -1.26 -5.02 118.68 109.85 1z8m s LEU 40 Ca 0.63 2.69 -0.06 0.00 -1.03 0.00 0.00 54.13 56.36 1z8m s LEU 40 Cb -0.17 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 1z8m s LEU 40 CO 0.45 -0.77 0.64 -1.81 0.23 0.00 0.00 176.35 175.09 1z8m s ASP 41 N -0.63 6.43 0.00 2.29 1.11 -1.26 -4.98 116.67 119.62 1z8m s ASP 41 Ca 0.55 0.83 0.18 0.00 0.18 0.00 0.00 52.55 54.28 1z8m s ASP 41 Cb -0.39 -2.20 0.78 0.00 1.07 0.00 0.00 42.92 42.19 1z8m s ASP 41 CO 0.51 -0.31 1.56 -0.81 1.18 0.00 0.00 175.17 177.29 1z8m n PRO 42 N -1.29 0.06 -0.03 8.23 -0.04 -1.26 -2.62 135.00 138.05 1z8m n PRO 42 Ca -0.01 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1z8m n PRO 42 Cb 0.54 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.03 1z8m n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z8m n GLN 43 N -1.45 1.27 -0.58 0.54 10.64 -1.26 -3.57 117.38 122.97 1z8m n GLN 43 Ca 0.05 -0.40 0.06 0.00 -1.83 0.00 0.00 57.00 54.87 1z8m n GLN 43 Cb 0.19 -1.35 0.28 0.00 -0.86 0.00 0.00 30.24 28.50 1z8m n GLN 43 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1z8m n PHE 44 N -0.40 1.36 -3.47 2.61 3.72 -1.08 -4.90 117.46 115.31 1z8m n PHE 44 Ca 0.16 -0.49 -0.25 0.00 -0.05 0.00 0.00 57.45 56.81 1z8m n PHE 44 Cb 0.17 -0.32 0.03 0.00 -0.94 0.00 0.00 39.48 38.41 1z8m n PHE 44 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1z8m n GLN 45 N 0.58 -5.08 -2.54 -1.08 1.13 -1.23 -3.70 117.38 105.47 1z8m n GLN 45 Ca 0.20 0.68 -0.43 0.00 -1.94 0.00 0.00 57.00 55.51 1z8m n GLN 45 Cb 0.84 -5.54 -0.02 0.00 0.11 0.00 0.00 30.24 25.63 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 -2.97 7.05 0.00 1.08 -4.77 -1.26 -4.72 116.67 111.07 1z8m s ASP 46 Ca 0.48 1.59 -0.00 0.00 -3.30 0.00 0.00 52.55 51.32 1z8m s ASP 46 Cb -0.23 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 1z8m s ASP 46 CO 0.59 -0.67 0.01 1.41 0.70 0.00 0.00 175.17 177.21 1z8m n HIS 47 N 6.11 -0.35 -2.64 2.11 8.25 -1.13 -4.97 115.22 122.59 1z8m n HIS 47 Ca 0.12 -0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 1z8m n HIS 47 Cb 0.46 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.00 3.29 1.04 -1.41 0.00 -1.26 -1.16 121.76 121.25 1z8m s ALA 48 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1z8m s ALA 48 Cb -0.00 -3.32 0.23 0.00 0.00 0.00 0.00 23.12 20.03 1z8m s ALA 48 CO 0.00 -0.13 1.25 -0.51 0.00 0.00 0.00 175.76 176.37 1z8m s LEU 49 N 0.05 2.06 0.15 0.00 1.02 -1.22 -4.93 118.68 115.81 1z8m s LEU 49 Ca 0.49 0.39 0.08 0.00 0.02 0.00 0.00 54.13 55.12 1z8m s LEU 49 Cb -0.25 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 1z8m s LEU 49 CO 0.31 -3.17 -0.10 -0.54 0.02 0.00 0.00 176.35 172.87 1z8m s LYS 50 N -5.73 2.08 1.41 1.70 1.02 -1.26 -4.24 119.74 114.72 1z8m s LYS 50 Ca 0.73 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1z8m s LYS 50 Cb -0.06 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1z8m s LYS 50 CO 0.54 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1z8m n GLY 51 N 0.30 0.84 0.07 -3.33 0.00 -1.26 -4.01 105.19 97.80 1z8m n GLY 51 Ca -0.12 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 3.38 0.15 -1.17 1.61 3.00 -1.26 -3.41 118.16 120.46 1z8m n LYS 52 Ca 0.00 0.20 -0.28 0.00 -0.00 0.00 0.00 58.31 58.23 1z8m n LYS 52 Cb 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 35.03 33.40 1z8m n LYS 52 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1z8m n TRP 53 N -1.98 2.67 0.02 5.64 5.03 -1.26 -4.58 117.44 122.98 1z8m n TRP 53 Ca 0.05 -2.59 -0.13 0.00 3.03 0.00 0.00 57.50 57.86 1z8m n TRP 53 Cb 0.34 -1.25 -0.09 0.00 -1.03 0.00 0.00 31.31 29.28 1z8m n TRP 53 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 1z8m h LYS 54 N 1.73 -0.07 -2.06 -0.99 3.64 -1.73 -3.24 116.57 113.84 1z8m h LYS 54 Ca 0.51 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.75 1z8m h LYS 54 Cb 1.00 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.79 1z8m h LYS 54 CO 1.29 0.37 -0.25 -0.35 -2.27 0.00 0.00 179.45 178.23 1z8m n PRO 55 N -4.91 1.64 -3.96 1.90 -0.04 -1.26 -4.48 135.00 123.89 1z8m n PRO 55 Ca -0.08 -0.72 -0.09 0.00 -0.04 0.00 0.00 63.50 62.56 1z8m n PRO 55 Cb 0.24 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.95 0.24 -0.03 0.54 0.08 -1.24 -5.03 117.98 113.49 1z8m s PHE 56 Ca 0.48 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.92 1z8m s PHE 56 Cb 0.23 0.35 0.00 0.00 -0.57 0.00 0.00 43.02 43.03 1z8m s PHE 56 CO 0.00 -1.10 -0.11 0.50 -0.10 0.00 0.00 175.22 174.41 1z8m s ARG 57 N -3.84 1.23 0.30 0.44 3.52 -0.92 -3.49 118.95 116.19 1z8m s ARG 57 Ca 0.19 -0.38 0.08 0.00 -0.13 0.00 0.00 55.73 55.49 1z8m s ARG 57 Cb -0.02 -1.11 -0.03 0.00 -1.56 0.00 0.00 34.95 32.23 1z8m s ARG 57 CO 0.09 0.13 0.19 -2.00 -0.81 0.00 0.00 175.30 172.90 1z8m s GLU 58 N 0.24 2.67 -0.30 5.12 -6.30 -0.31 -1.56 118.70 118.26 1z8m s GLU 58 Ca -0.05 -1.28 -0.13 0.00 -2.50 0.00 0.00 54.97 51.02 1z8m s GLU 58 Cb -0.10 -2.41 0.17 0.00 0.00 0.00 0.00 34.13 31.80 1z8m s GLU 58 CO 0.01 0.24 1.00 0.00 0.02 0.00 0.00 175.26 176.53 1z8m s HIS 60 N 2.71 3.35 0.57 0.00 -3.43 -1.24 -1.94 115.29 115.32 1z8m s HIS 60 Ca 0.01 -1.80 0.28 0.00 -0.80 0.00 0.00 55.06 52.75 1z8m s HIS 60 Cb -0.09 -4.27 1.51 0.00 -1.43 0.00 0.00 32.58 28.30 1z8m s HIS 60 CO -0.15 -1.42 1.97 0.82 -2.00 0.00 0.00 174.74 173.97 1z8m h ILE 61 N 5.19 0.47 -3.82 -5.38 5.03 -1.90 -3.42 117.51 113.69 1z8m h ILE 61 Ca 0.23 0.00 -0.25 0.00 -0.12 0.00 0.00 64.86 64.73 1z8m h ILE 61 Cb 0.95 0.69 -0.15 0.00 -3.03 0.00 0.00 36.82 35.29 1z8m h ILE 61 CO 1.16 0.00 -0.68 -0.54 -0.68 0.00 0.00 178.15 177.40 1z8m s LYS 62 N -4.72 0.94 0.00 2.37 -0.14 -1.26 -4.99 119.74 111.94 1z8m s LYS 62 Ca -0.05 -1.41 0.10 0.00 -1.36 0.00 0.00 55.97 53.25 1z8m s LYS 62 Cb 0.17 -0.22 0.54 0.00 -1.68 0.00 0.00 37.83 36.64 1z8m s LYS 62 CO 0.60 -0.06 1.09 -0.35 -0.76 0.00 0.00 175.35 175.86 1z8m n PRO 63 N -0.12 0.24 -0.81 -1.68 -0.04 -1.26 -1.92 135.00 129.41 1z8m n PRO 63 Ca -0.10 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.46 1z8m n PRO 63 Cb 0.62 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1z8m n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1z8m n ASP 64 N -1.12 0.55 -4.06 3.54 2.03 -1.26 -4.88 116.55 111.36 1z8m n ASP 64 Ca 0.06 -2.14 -0.14 0.00 0.52 0.00 0.00 54.79 53.10 1z8m n ASP 64 Cb 0.05 -0.26 -0.12 0.00 -0.72 0.00 0.00 41.12 40.07 1z8m n ASP 64 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1z8m s VAL 65 N -0.30 0.56 -0.41 5.18 1.01 -0.81 -4.38 120.40 121.25 1z8m s VAL 65 Ca 0.15 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1z8m s VAL 65 Cb 0.16 -0.61 0.17 0.00 0.00 0.00 0.00 36.38 36.10 1z8m s VAL 65 CO -0.06 -0.33 0.42 -0.76 0.00 0.00 0.00 175.10 174.37 1z8m s LEU 66 N -1.47 0.21 -0.10 3.92 1.43 0.11 -4.01 118.68 118.77 1z8m s LEU 66 Ca -0.09 -2.12 -0.23 0.00 -1.03 0.00 0.00 54.13 50.66 1z8m s LEU 66 Cb -0.09 0.44 -0.03 0.00 0.03 0.00 0.00 46.19 46.53 1z8m s LEU 66 CO 0.00 -0.20 0.71 -0.22 0.23 0.00 0.00 176.35 176.88 1z8m s LEU 67 N 0.87 4.27 -0.12 1.79 2.96 -0.82 -1.65 118.68 125.98 1z8m s LEU 67 Ca 0.24 1.13 -0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1z8m s LEU 67 Cb -0.07 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1z8m s LEU 67 CO -0.08 -0.19 0.09 -0.69 -1.32 0.00 0.00 176.35 174.16 1z8m s VAL 68 N 1.21 5.08 0.26 1.68 1.01 0.16 -2.59 120.40 127.20 1z8m s VAL 68 Ca 0.36 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1z8m s VAL 68 Cb -0.17 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1z8m s VAL 68 CO 0.16 0.58 0.49 -0.72 0.00 0.00 0.00 175.10 175.61 1z8m s TYR 69 N -0.72 0.39 0.13 5.22 1.13 -0.60 0.98 117.35 123.88 1z8m s TYR 69 Ca 0.13 -0.76 0.10 0.00 -1.41 0.00 0.00 57.07 55.12 1z8m s TYR 69 Cb -0.12 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1z8m s TYR 69 CO 0.03 -1.02 -0.23 -1.17 -2.51 0.00 0.00 175.55 170.65 1z8m s LEU 70 N -3.03 2.34 -0.39 -3.49 2.96 0.73 -2.16 118.68 115.63 1z8m s LEU 70 Ca 0.23 -0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 1z8m s LEU 70 Cb -0.01 -1.02 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1z8m s LEU 70 CO 0.10 0.10 0.25 -0.69 -1.32 0.00 0.00 176.35 174.78 1z8m s VAL 71 N -1.28 4.82 0.48 1.68 1.01 -1.26 -2.04 120.40 123.80 1z8m s VAL 71 Ca 0.12 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1z8m s VAL 71 Cb -0.09 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1z8m s VAL 71 CO 0.06 -0.29 0.54 -0.75 0.00 0.00 0.00 175.10 174.65 1z8m s LYS 72 N 1.59 2.50 -0.38 2.72 2.36 0.17 -5.01 119.74 123.69 1z8m s LYS 72 Ca 0.03 -1.57 -0.27 0.00 -2.55 0.00 0.00 55.97 51.61 1z8m s LYS 72 Cb -0.20 -2.49 -0.06 0.00 -1.05 0.00 0.00 37.83 34.03 1z8m s LYS 72 CO 0.08 -0.46 2.35 -0.25 1.55 0.00 0.00 175.35 178.61 1z8m n ASP 73 N -1.84 2.69 -1.90 1.43 9.92 -1.26 -2.08 116.55 123.50 1z8m n ASP 73 Ca 0.07 -0.24 -0.15 0.00 -0.53 0.00 0.00 54.79 53.94 1z8m n ASP 73 Cb 0.61 -1.58 -0.04 0.00 -0.64 0.00 0.00 41.12 39.48 1z8m n ASP 73 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1z8m n ASP 74 N 14.32 -4.19 -3.74 -2.24 9.92 -1.26 -4.92 116.55 124.44 1z8m n ASP 74 Ca 0.34 0.26 -0.13 0.00 -0.53 0.00 0.00 54.79 54.73 1z8m n ASP 74 Cb 0.51 -3.69 -0.10 0.00 -0.64 0.00 0.00 41.12 37.19 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1z8m s GLU 75 N -4.09 0.44 0.10 -1.24 8.01 -0.89 -3.85 118.70 117.18 1z8m s GLU 75 Ca 0.00 0.53 0.06 0.00 0.01 0.00 0.00 54.97 55.57 1z8m s GLU 75 Cb 0.00 0.20 -0.04 0.00 -4.31 0.00 0.00 34.13 29.98 1z8m s GLU 75 CO 0.00 -0.06 -0.06 -1.17 0.01 0.00 0.00 175.26 173.99 1z8m s LEU 76 N 0.25 3.22 -0.04 1.80 2.96 0.32 0.46 118.68 127.65 1z8m s LEU 76 Ca -0.00 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1z8m s LEU 76 Cb -0.03 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1z8m s LEU 76 CO 0.00 0.17 -0.03 0.27 -1.32 0.00 0.00 176.35 175.45 1z8m s ILE 77 N -1.26 0.38 -0.06 6.68 -5.25 -0.87 -1.34 121.20 119.48 1z8m s ILE 77 Ca 0.23 -0.04 -0.29 0.00 -0.99 0.00 0.00 60.65 59.57 1z8m s ILE 77 Cb -0.11 -0.43 -0.02 0.00 2.95 0.00 0.00 42.46 44.85 1z8m s ILE 77 CO 0.16 0.18 0.94 -0.76 -1.79 0.00 0.00 174.94 173.67 1z8m s LEU 78 N 0.89 4.30 0.00 0.37 1.43 0.32 -0.19 118.68 125.80 1z8m s LEU 78 Ca -0.11 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1z8m s LEU 78 Cb -0.14 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1z8m s LEU 78 CO -0.01 -0.32 0.00 0.18 0.23 0.00 0.00 176.35 176.44 1z8m n LEU 79 N 4.38 0.58 -3.92 1.79 4.32 0.28 -2.06 117.00 122.37 1z8m n LEU 79 Ca 0.06 0.20 -0.09 0.00 -0.02 0.00 0.00 56.01 56.15 1z8m n LEU 79 Cb 0.50 -0.33 -0.02 0.00 -1.62 0.00 0.00 43.42 41.95 1z8m n LEU 79 CO 0.51 -0.33 0.36 0.00 -1.22 0.00 0.00 177.39 176.71 1z8m s ARG 80 N -0.67 1.90 -0.02 3.23 1.04 -0.85 -0.91 118.95 122.67 1z8m s ARG 80 Ca 0.00 -1.33 0.05 0.00 -1.04 0.00 0.00 55.73 53.41 1z8m s ARG 80 Cb 0.00 0.55 -0.01 0.00 -2.04 0.00 0.00 34.95 33.45 1z8m s ARG 80 CO 0.00 -0.85 -0.16 -1.17 -0.04 0.00 0.00 175.30 173.08 1z8m s LEU 81 N -3.05 2.01 0.00 -1.89 1.98 -1.26 0.38 118.68 116.86 1z8m s LEU 81 Ca 0.19 -0.30 -0.04 0.00 -2.89 0.00 0.00 54.13 51.09 1z8m s LEU 81 Cb -0.03 -0.85 0.01 0.00 0.66 0.00 0.00 46.19 45.98 1z8m s LEU 81 CO 0.11 0.19 0.39 0.61 -1.89 0.00 0.00 176.35 175.77 1z8m n GLY 82 N 2.75 2.13 3.32 7.98 0.00 -0.66 -4.88 105.19 115.83 1z8m n GLY 82 Ca -0.15 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.48 1.51 0.50 1.61 0.01 -1.26 0.04 113.70 113.62 1z8m s SER 83 Ca 0.18 -1.29 0.19 0.00 1.31 0.00 0.00 55.95 56.33 1z8m s SER 83 Cb -0.01 0.08 1.24 0.00 0.21 0.00 0.00 66.02 67.54 1z8m s SER 83 CO 0.13 -0.62 2.03 -0.74 0.41 0.00 0.00 173.24 174.45 1z8m h HIS 84 N 2.44 0.14 0.00 2.43 2.76 -1.89 0.93 115.15 121.96 1z8m h HIS 84 Ca -0.38 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 57.71 1z8m h HIS 84 Cb 1.23 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1z8m h HIS 84 CO 0.52 0.07 -1.22 0.43 -1.30 0.00 0.00 177.93 176.43 1z8m n SER 85 N -4.45 0.84 -0.01 3.26 7.64 -1.26 -3.74 113.62 115.89 1z8m n SER 85 Ca 0.06 0.34 -0.00 0.00 1.01 0.00 0.00 58.87 60.28 1z8m n SER 85 Cb 0.38 0.35 -0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1z8m n SER 85 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1z8m h GLU 86 N 0.00 0.00 -0.52 1.43 4.39 -1.49 -3.35 114.58 115.05 1z8m h GLU 86 Ca -0.08 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.77 1z8m h GLU 86 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1z8m h GLU 86 CO 0.02 0.00 0.55 -0.07 -1.16 0.00 0.00 179.01 178.35 1z8m h LEU 87 N -0.25 0.00 -1.45 1.33 3.38 -1.13 -3.46 115.31 113.73 1z8m h LEU 87 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1z8m h LEU 87 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1z8m h LEU 87 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02