#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 2.37 0.57 -0.89 1.43 -1.26 -5.09 118.68 115.81 1z8m s LEU 2 Ca 0.00 -1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 51.40 1z8m s LEU 2 Cb 0.00 -0.58 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 1z8m s LEU 2 CO 0.00 -0.71 1.09 -0.75 0.23 0.00 0.00 176.35 176.21 1z8m s LYS 3 N -3.80 3.31 0.03 1.70 2.36 -1.26 -4.81 119.74 117.27 1z8m s LYS 3 Ca 0.23 1.43 0.08 0.00 -2.55 0.00 0.00 55.97 55.16 1z8m s LYS 3 Cb 0.06 -2.02 -0.03 0.00 -1.05 0.00 0.00 37.83 34.79 1z8m s LYS 3 CO 0.12 -0.85 -0.24 -1.17 1.55 0.00 0.00 175.35 174.76 1z8m s LEU 4 N -4.12 2.14 0.00 5.43 0.20 -1.22 -0.69 118.68 120.42 1z8m s LEU 4 Ca 0.68 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.99 1z8m s LEU 4 Cb -0.20 -1.16 -0.01 0.00 -0.43 0.00 0.00 46.19 44.39 1z8m s LEU 4 CO 0.31 0.23 0.07 -3.20 -0.29 0.00 0.00 176.35 173.47 1z8m n ASN 5 N 1.97 1.44 -3.73 3.68 5.15 -1.00 -4.92 115.26 117.85 1z8m n ASN 5 Ca -0.17 -2.32 -0.14 0.00 -0.60 0.00 0.00 54.58 51.36 1z8m n ASN 5 Cb 0.52 0.55 -0.14 0.00 -0.53 0.00 0.00 39.78 40.18 1z8m n ASN 5 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1z8m s LEU 6 N 0.00 0.51 0.00 1.20 1.02 -1.26 -2.94 118.68 117.20 1z8m s LEU 6 Ca 0.10 0.37 0.05 0.00 0.02 0.00 0.00 54.13 54.68 1z8m s LEU 6 Cb 0.00 0.46 0.05 0.00 0.02 0.00 0.00 46.19 46.73 1z8m s LEU 6 CO 0.07 -0.17 0.42 0.29 0.02 0.00 0.00 176.35 176.98 1z8m n LYS 7 N 4.38 0.81 0.10 1.70 4.76 -0.80 -4.93 118.16 124.19 1z8m n LYS 7 Ca -0.23 -1.71 -0.20 0.00 -2.87 0.00 0.00 58.31 53.31 1z8m n LYS 7 Cb 0.52 -0.10 -0.12 0.00 -1.84 0.00 0.00 35.03 33.48 1z8m n LYS 7 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1z8m h LYS 8 N 0.00 0.50 -0.44 1.97 3.64 -1.89 -3.23 116.57 117.13 1z8m h LYS 8 Ca -0.15 -0.70 -0.12 0.00 -1.27 0.00 0.00 60.65 58.41 1z8m h LYS 8 Cb 0.68 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1z8m h LYS 8 CO 0.22 1.31 -0.19 0.77 -2.27 0.00 0.00 179.45 179.28 1z8m h SER 9 N 0.21 0.92 -0.16 4.20 0.02 -1.95 -2.87 113.55 113.93 1z8m h SER 9 Ca -0.17 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1z8m h SER 9 Cb 1.90 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 1z8m h SER 9 CO 0.22 1.11 0.11 0.15 -1.14 0.00 0.00 176.83 177.29 1z8m h PHE 10 N 0.73 0.06 -0.29 3.45 3.57 -1.42 0.10 116.94 123.14 1z8m h PHE 10 Ca 0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1z8m h PHE 10 Cb 0.75 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1z8m h PHE 10 CO 0.05 0.03 0.13 1.96 -2.23 0.00 0.00 178.31 178.26 1z8m h GLN 11 N 0.06 0.43 0.00 1.11 4.20 -1.52 0.39 115.11 119.78 1z8m h GLN 11 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1z8m h GLN 11 Cb 0.21 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1z8m h GLN 11 CO -0.01 0.43 -0.24 0.87 -0.67 0.00 0.00 178.83 179.22 1z8m h LYS 12 N 0.33 0.00 0.00 1.46 1.79 -1.42 -3.15 116.57 115.58 1z8m h LYS 12 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1z8m h LYS 12 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1z8m h LYS 12 CO -0.01 0.04 -0.57 -0.25 -1.08 0.00 0.00 179.45 177.58 1z8m n ASP 13 N -3.03 0.55 -0.01 0.86 8.00 0.30 -0.79 116.55 122.43 1z8m n ASP 13 Ca 0.03 -0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.30 1z8m n ASP 13 Cb 0.55 0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 -1.61 0.09 -0.02 1.24 -0.00 0.14 -4.20 117.46 113.09 1z8m n PHE 14 Ca 0.05 0.04 -0.12 0.00 -0.00 0.00 0.00 57.45 57.42 1z8m n PHE 14 Cb 0.36 -0.29 -0.14 0.00 -0.00 0.00 0.00 39.48 39.41 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 -2.50 1.15 0.16 -2.13 -0.08 -1.19 -3.77 116.55 108.19 1z8m n ASP 15 Ca -0.01 0.32 0.04 0.00 -1.51 0.00 0.00 54.79 53.63 1z8m n ASP 15 Cb 0.03 -0.19 0.18 0.00 2.34 0.00 0.00 41.12 43.47 1z8m n ASP 15 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1z8m h LYS 16 N 0.02 0.00 -0.01 -0.67 1.63 -1.62 -3.12 116.57 112.80 1z8m h LYS 16 Ca -0.35 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.26 1z8m h LYS 16 Cb 2.03 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.65 1z8m h LYS 16 CO 0.07 0.47 -0.86 1.25 -3.45 0.00 0.00 179.45 176.93 1z8m h LEU 17 N 0.00 0.30 -0.81 5.20 6.46 -1.13 -3.09 115.31 122.24 1z8m h LEU 17 Ca -0.00 -0.23 0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1z8m h LEU 17 Cb 1.16 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 1z8m h LEU 17 CO 0.06 1.02 0.46 -0.07 -0.62 0.00 0.00 178.44 179.30 1z8m h LEU 18 N 0.13 0.68 -0.35 2.25 4.07 -1.63 0.98 115.31 121.44 1z8m h LEU 18 Ca -0.04 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1z8m h LEU 18 Cb 1.48 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1z8m h LEU 18 CO 0.13 0.40 -0.02 0.00 -1.08 0.00 0.00 178.44 177.88 1z8m n LEU 19 N -4.73 0.56 -2.19 1.67 -0.00 -1.22 -2.51 117.00 108.58 1z8m n LEU 19 Ca 0.13 -0.16 -0.28 0.00 -0.00 0.00 0.00 56.01 55.70 1z8m n LEU 19 Cb 0.25 -0.03 0.11 0.00 -0.00 0.00 0.00 43.42 43.74 1z8m n LEU 19 CO 0.28 0.10 1.34 -3.20 -0.00 0.00 0.00 177.39 175.90 1z8m n ASN 20 N -0.61 6.05 0.00 1.45 4.05 0.33 -4.78 115.26 121.75 1z8m n ASN 20 Ca 0.21 -3.58 0.00 0.00 0.45 0.00 0.00 54.58 51.66 1z8m n ASN 20 Cb 0.22 -0.92 0.00 0.00 1.23 0.00 0.00 39.78 40.31 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 -0.79 0.57 3.38 8.20 0.00 -1.25 -5.02 105.19 110.27 1z8m n GLY 21 Ca 0.56 -0.82 -0.33 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 2.81 -0.23 1.61 2.19 -1.04 -5.06 117.98 116.25 1z8m s PHE 22 Ca 0.00 -0.62 -0.29 0.00 0.33 0.00 0.00 56.93 56.35 1z8m s PHE 22 Cb 0.00 -1.83 -0.02 0.00 -1.31 0.00 0.00 43.02 39.86 1z8m s PHE 22 CO 0.00 -0.19 1.44 0.34 1.83 0.00 0.00 175.22 178.64 1z8m s ASP 23 N 0.30 6.60 0.46 6.13 -1.08 -1.26 -4.50 116.67 123.32 1z8m s ASP 23 Ca -0.10 1.52 0.24 0.00 -0.52 0.00 0.00 52.55 53.69 1z8m s ASP 23 Cb -0.16 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 39.87 1z8m s ASP 23 CO 0.06 -1.09 1.92 -2.24 0.52 0.00 0.00 175.17 174.34 1z8m h ASP 24 N 9.70 0.00 0.44 -0.34 2.03 -1.97 -2.55 116.42 123.73 1z8m h ASP 24 Ca -0.30 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.99 1z8m h ASP 24 Cb 1.13 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1z8m h ASP 24 CO 1.01 0.21 -0.03 0.28 -1.03 0.00 0.00 179.24 179.68 1z8m h SER 25 N 0.00 0.00 0.20 4.15 0.02 -2.00 -2.75 113.55 113.16 1z8m h SER 25 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1z8m h SER 25 Cb 0.58 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.14 1z8m h SER 25 CO 0.03 0.03 -1.63 0.58 -1.14 0.00 0.00 176.83 174.69 1z8m h VAL 26 N 0.00 1.05 -0.70 2.27 2.07 -1.86 -3.34 116.25 115.73 1z8m h VAL 26 Ca -0.00 -2.55 0.06 0.00 0.82 0.00 0.00 66.70 65.03 1z8m h VAL 26 Cb 0.26 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1z8m h VAL 26 CO 0.00 0.83 0.46 0.17 0.02 0.00 0.00 177.57 179.06 1z8m h LEU 27 N 0.07 0.65 -2.57 2.57 8.10 -1.55 -0.51 115.31 122.08 1z8m h LEU 27 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1z8m h LEU 27 Cb 2.08 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 42.16 1z8m h LEU 27 CO 0.20 0.43 0.14 -1.13 -4.11 0.00 0.00 178.44 173.96 1z8m h ASN 28 N 0.74 0.00 0.34 0.17 -0.73 -1.66 0.88 115.58 115.33 1z8m h ASN 28 Ca 0.30 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 58.14 1z8m h ASN 28 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1z8m h ASN 28 CO -0.10 0.00 -1.61 -0.33 -0.37 0.00 0.00 177.43 175.02 1z8m h GLU 29 N 0.00 0.32 0.08 6.67 4.39 -1.27 -3.10 114.58 121.67 1z8m h GLU 29 Ca 0.01 -0.54 -0.34 0.00 0.34 0.00 0.00 59.36 58.82 1z8m h GLU 29 Cb 0.28 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1z8m h GLU 29 CO -0.00 1.20 -1.91 1.55 -1.16 0.00 0.00 179.01 178.69 1z8m n VAL 30 N -3.51 1.72 -0.02 3.13 3.14 -0.49 -4.03 118.33 118.28 1z8m n VAL 30 Ca -0.20 -0.70 -0.13 0.00 -2.96 0.00 0.00 64.34 60.35 1z8m n VAL 30 Cb 1.06 -1.49 -0.10 0.00 -1.06 0.00 0.00 33.84 32.24 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 1.44 0.00 1.55 5.03 0.55 -2.96 117.51 123.17 1z8m h ILE 31 Ca -0.38 -1.31 0.00 0.00 -0.12 0.00 0.00 64.86 63.05 1z8m h ILE 31 Cb 2.03 2.33 0.00 0.00 -3.03 0.00 0.00 36.82 38.15 1z8m h ILE 31 CO 0.08 0.34 0.10 0.17 -0.68 0.00 0.00 178.15 178.16 1z8m h LEU 32 N -0.56 0.00 0.02 1.44 -0.00 -1.68 0.36 115.31 114.89 1z8m h LEU 32 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.62 1z8m h LEU 32 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1z8m h LEU 32 CO 0.00 0.00 -1.36 0.74 -0.00 0.00 0.00 178.44 177.82 1z8m h THR 33 N 0.00 1.28 0.01 0.15 2.02 -1.67 -3.22 112.91 111.48 1z8m h THR 33 Ca 0.00 -3.04 -0.29 0.00 0.77 0.00 0.00 66.41 63.84 1z8m h THR 33 Cb 0.20 2.66 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 1z8m h THR 33 CO 0.00 0.76 -1.69 -0.07 0.37 0.00 0.00 175.52 174.89 1z8m h LEU 34 N 0.01 0.03 -2.76 2.58 3.38 -0.77 -2.96 115.31 114.83 1z8m h LEU 34 Ca -0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1z8m h LEU 34 Cb 1.90 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1z8m h LEU 34 CO 0.11 1.06 0.01 0.54 0.09 0.00 0.00 178.44 180.25 1z8m n ARG 35 N -3.10 3.64 0.02 1.13 1.74 0.11 -4.33 116.66 115.88 1z8m n ARG 35 Ca -0.17 -2.15 -0.00 0.00 -0.77 0.00 0.00 57.85 54.75 1z8m n ARG 35 Cb 1.05 -2.02 -0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.41 0.01 0.00 5.56 5.02 -1.21 -4.98 118.16 122.97 1z8m n LYS 36 Ca 0.19 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1z8m n LYS 36 Cb 0.91 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 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 -3.30 0.00 -1.90 1.97 2.85 -1.25 -5.10 118.16 111.43 1z8m n LYS 37 Ca -0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.82 1z8m n LYS 37 Cb 0.24 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.59 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 3.40 1.22 -1.58 2.56 -1.12 -2.31 118.70 120.88 1z8m s GLU 38 Ca 0.00 1.68 -0.21 0.00 0.00 0.00 0.00 54.97 56.44 1z8m s GLU 38 Cb 0.00 -4.21 0.30 0.00 2.00 0.00 0.00 34.13 32.22 1z8m s GLU 38 CO 0.00 -1.78 1.14 -0.35 -0.56 0.00 0.00 175.26 173.71 1z8m n PRO 39 N 8.35 -2.97 -3.62 4.30 -0.04 -1.26 -4.34 135.00 135.40 1z8m n PRO 39 Ca 0.24 -1.81 -0.38 0.00 -0.04 0.00 0.00 63.50 61.50 1z8m n PRO 39 Cb 0.46 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 1z8m n PRO 39 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1z8m s LEU 40 N 0.00 4.07 0.82 1.53 1.43 -1.26 -4.95 118.68 120.33 1z8m s LEU 40 Ca 0.73 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1z8m s LEU 40 Cb -0.07 -2.05 0.09 0.00 0.03 0.00 0.00 46.19 44.19 1z8m s LEU 40 CO 0.55 -0.14 1.18 -1.81 0.23 0.00 0.00 176.35 176.36 1z8m s ASP 41 N 1.68 3.58 0.02 2.29 1.11 -1.26 -4.89 116.67 119.19 1z8m s ASP 41 Ca 0.06 2.28 0.14 0.00 0.18 0.00 0.00 52.55 55.20 1z8m s ASP 41 Cb -0.17 -2.58 0.59 0.00 1.07 0.00 0.00 42.92 41.83 1z8m s ASP 41 CO 0.08 -2.67 1.44 -0.81 1.18 0.00 0.00 175.17 174.39 1z8m n PRO 42 N -3.47 0.01 -0.20 8.23 -0.04 -1.26 -2.28 135.00 136.00 1z8m n PRO 42 Ca 0.13 0.28 0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1z8m n PRO 42 Cb 0.51 -1.52 0.15 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.54 1.89 -0.08 0.54 10.64 -1.26 -3.84 117.38 123.71 1z8m n GLN 43 Ca 0.03 -1.22 0.09 0.00 -1.83 0.00 0.00 57.00 54.08 1z8m n GLN 43 Cb 0.16 -1.33 0.35 0.00 -0.86 0.00 0.00 30.24 28.56 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 0.45 0.22 -3.06 2.61 3.01 -0.96 -4.91 117.46 114.82 1z8m n PHE 44 Ca 0.11 -0.11 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1z8m n PHE 44 Cb 0.33 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.22 -4.91 -2.63 -1.08 6.02 -1.25 -1.85 117.38 111.91 1z8m n GLN 45 Ca 0.15 0.74 -0.43 0.00 -0.01 0.00 0.00 57.00 57.45 1z8m n GLN 45 Cb 0.29 -5.30 -0.02 0.00 1.02 0.00 0.00 30.24 26.23 1z8m n GLN 45 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1z8m s ASP 46 N -2.92 6.63 0.30 1.08 -4.77 -1.26 -4.45 116.67 111.27 1z8m s ASP 46 Ca 0.33 0.45 -0.06 0.00 -3.30 0.00 0.00 52.55 49.97 1z8m s ASP 46 Cb -0.14 -2.54 -0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1z8m s ASP 46 CO 0.41 -1.21 0.44 -1.38 0.70 0.00 0.00 175.17 174.13 1z8m s HIS 47 N 4.33 0.83 -0.15 2.11 -3.43 -1.17 -4.95 115.29 112.87 1z8m s HIS 47 Ca 0.46 -1.11 -0.18 0.00 -0.80 0.00 0.00 55.06 53.44 1z8m s HIS 47 Cb -0.08 -0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 31.00 1z8m s HIS 47 CO 0.30 -1.04 0.46 0.00 -2.00 0.00 0.00 174.74 172.46 1z8m s ALA 48 N -3.47 3.51 1.00 -1.38 0.00 -1.26 0.16 121.76 120.31 1z8m s ALA 48 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1z8m s ALA 48 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1z8m s ALA 48 CO 0.16 -0.12 0.00 1.28 0.00 0.00 0.00 175.76 177.08 1z8m n LEU 49 N 3.99 0.00 -4.33 0.00 4.77 -1.18 -4.95 117.00 115.29 1z8m n LEU 49 Ca -0.07 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.74 1z8m n LEU 49 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1z8m n LEU 49 CO 0.42 -0.46 -0.35 -0.54 -1.33 0.00 0.00 177.39 175.14 1z8m s LYS 50 N -2.37 1.33 7.46 3.23 -0.14 -1.25 -3.99 119.74 124.01 1z8m s LYS 50 Ca 0.00 -1.66 0.00 0.00 -1.36 0.00 0.00 55.97 52.95 1z8m s LYS 50 Cb 0.00 -0.71 0.00 0.00 -1.68 0.00 0.00 37.83 35.44 1z8m s LYS 50 CO 0.00 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 174.96 1z8m n GLY 51 N -0.41 1.76 0.14 -3.33 0.00 -1.26 -3.30 105.19 98.78 1z8m n GLY 51 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1z8m n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1z8m h LYS 52 N 0.00 0.02 -0.90 1.61 1.63 -2.03 -2.96 116.57 113.93 1z8m h LYS 52 Ca 0.00 -0.01 -0.35 0.00 -0.85 0.00 0.00 60.65 59.43 1z8m h LYS 52 Cb 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.42 1z8m h LYS 52 CO 0.00 0.63 0.45 0.91 -3.45 0.00 0.00 179.45 177.99 1z8m n TRP 53 N -3.81 2.60 -0.04 1.91 7.02 -1.21 -4.50 117.44 119.42 1z8m n TRP 53 Ca -0.01 -1.46 -0.13 0.00 -1.02 0.00 0.00 57.50 54.87 1z8m n TRP 53 Cb 0.62 -0.79 -0.11 0.00 -2.42 0.00 0.00 31.31 28.60 1z8m n TRP 53 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1z8m h LYS 54 N 1.66 -0.01 0.00 -0.99 3.11 -1.64 -3.13 116.57 115.57 1z8m h LYS 54 Ca 0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1z8m h LYS 54 Cb 2.51 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.74 1z8m h LYS 54 CO 0.88 0.75 0.00 -0.35 -2.81 0.00 0.00 179.45 177.92 1z8m n PRO 55 N -4.72 0.36 -4.21 1.90 -0.04 -1.26 -4.54 135.00 122.49 1z8m n PRO 55 Ca -0.09 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 1z8m n PRO 55 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.33 2.61 -0.01 0.54 0.08 -1.23 -5.05 117.98 112.58 1z8m s PHE 56 Ca 0.20 -0.50 0.06 0.00 0.12 0.00 0.00 56.93 56.81 1z8m s PHE 56 Cb 0.11 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1z8m s PHE 56 CO 0.23 0.32 -0.20 0.50 -0.10 0.00 0.00 175.22 175.96 1z8m s ARG 57 N -3.83 2.21 0.49 0.44 3.52 -1.17 -3.76 118.95 116.86 1z8m s ARG 57 Ca 0.38 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 1z8m s ARG 57 Cb 0.02 -2.19 0.03 0.00 -1.56 0.00 0.00 34.95 31.25 1z8m s ARG 57 CO 0.21 0.57 0.67 -2.00 -0.81 0.00 0.00 175.30 173.95 1z8m s GLU 58 N -0.90 2.62 -0.30 5.12 2.56 0.12 -2.21 118.70 125.73 1z8m s GLU 58 Ca 0.12 -1.19 -0.15 0.00 0.00 0.00 0.00 54.97 53.74 1z8m s GLU 58 Cb -0.10 -2.66 0.16 0.00 2.00 0.00 0.00 34.13 33.53 1z8m s GLU 58 CO 0.01 -0.52 0.99 0.00 -0.56 0.00 0.00 175.26 175.18 1z8m s HIS 60 N 2.22 3.86 0.04 0.00 3.76 -0.77 -0.52 115.29 123.87 1z8m s HIS 60 Ca -0.04 -2.28 -0.25 0.00 -0.15 0.00 0.00 55.06 52.34 1z8m s HIS 60 Cb -0.06 -3.74 -0.17 0.00 1.11 0.00 0.00 32.58 29.73 1z8m s HIS 60 CO -0.17 -0.95 1.49 0.82 -0.85 0.00 0.00 174.74 175.08 1z8m h ILE 61 N 4.53 1.03 -1.77 0.60 5.03 -1.81 -3.44 117.51 121.68 1z8m h ILE 61 Ca 0.12 -0.48 -0.61 0.00 -0.12 0.00 0.00 64.86 63.77 1z8m h ILE 61 Cb 0.98 1.34 -0.12 0.00 -3.03 0.00 0.00 36.82 35.99 1z8m h ILE 61 CO 0.81 0.12 -0.61 -0.54 -0.68 0.00 0.00 178.15 177.25 1z8m s LYS 62 N -5.28 1.99 0.00 2.37 -0.14 -1.26 -5.01 119.74 112.40 1z8m s LYS 62 Ca -0.14 -1.96 0.14 0.00 -1.36 0.00 0.00 55.97 52.65 1z8m s LYS 62 Cb 0.04 -1.76 0.86 0.00 -1.68 0.00 0.00 37.83 35.28 1z8m s LYS 62 CO 0.64 0.03 1.28 -0.35 -0.76 0.00 0.00 175.35 176.19 1z8m n PRO 63 N -0.96 0.54 -0.97 -1.68 -0.04 -1.26 -2.50 135.00 128.13 1z8m n PRO 63 Ca -0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1z8m n PRO 63 Cb 0.65 -1.41 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 1z8m n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1z8m n ASP 64 N -0.91 0.39 -3.97 3.54 9.92 -1.26 -4.93 116.55 119.33 1z8m n ASP 64 Ca 0.11 -1.95 -0.09 0.00 -0.53 0.00 0.00 54.79 52.33 1z8m n ASP 64 Cb 0.05 -0.21 -0.11 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.11 -0.28 2.53 1.01 -1.04 -4.41 120.40 118.31 1z8m s VAL 65 Ca 0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1z8m s VAL 65 Cb 0.17 -0.26 0.13 0.00 0.00 0.00 0.00 36.38 36.42 1z8m s VAL 65 CO -0.08 -0.48 0.27 -0.76 0.00 0.00 0.00 175.10 174.05 1z8m s LEU 66 N -1.42 -0.17 -0.13 3.92 1.43 0.10 -3.87 118.68 118.54 1z8m s LEU 66 Ca -0.16 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.11 1z8m s LEU 66 Cb -0.10 0.44 -0.05 0.00 0.03 0.00 0.00 46.19 46.51 1z8m s LEU 66 CO -0.01 -0.38 0.34 -0.22 0.23 0.00 0.00 176.35 176.31 1z8m s LEU 67 N 2.34 4.29 -0.35 1.79 1.98 0.32 0.37 118.68 129.43 1z8m s LEU 67 Ca 0.09 0.63 -0.08 0.00 -2.89 0.00 0.00 54.13 51.88 1z8m s LEU 67 Cb -0.14 -2.45 0.03 0.00 0.66 0.00 0.00 46.19 44.28 1z8m s LEU 67 CO -0.30 0.13 0.14 -0.69 -1.89 0.00 0.00 176.35 173.74 1z8m s VAL 68 N 0.21 4.14 0.26 1.68 1.01 0.45 -1.68 120.40 126.47 1z8m s VAL 68 Ca 0.19 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1z8m s VAL 68 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1z8m s VAL 68 CO 0.06 -0.16 -0.11 -0.72 0.00 0.00 0.00 175.10 174.18 1z8m s TYR 69 N 1.48 1.95 -0.08 5.22 -0.85 -0.94 0.76 117.35 124.90 1z8m s TYR 69 Ca 0.01 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.00 1z8m s TYR 69 Cb -0.19 -1.02 -0.01 0.00 0.38 0.00 0.00 41.96 41.13 1z8m s TYR 69 CO 0.04 0.38 -0.22 -1.17 -1.52 0.00 0.00 175.55 173.07 1z8m s LEU 70 N -3.42 2.25 0.67 -3.49 2.96 0.15 -3.06 118.68 114.73 1z8m s LEU 70 Ca 0.28 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 1z8m s LEU 70 Cb 0.01 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 1z8m s LEU 70 CO 0.11 0.22 1.06 0.54 -1.32 0.00 0.00 176.35 176.96 1z8m s VAL 71 N 0.01 3.93 0.30 1.68 0.11 -1.26 -1.50 120.40 123.67 1z8m s VAL 71 Ca -0.08 0.70 -0.19 0.00 -2.93 0.00 0.00 61.98 59.48 1z8m s VAL 71 Cb -0.15 -3.37 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1z8m s VAL 71 CO 0.05 -0.74 0.71 -0.75 -3.33 0.00 0.00 175.10 171.04 1z8m s LYS 72 N -4.77 1.85 -0.50 1.54 2.47 0.29 -4.87 119.74 115.76 1z8m s LYS 72 Ca 0.60 -1.09 -0.26 0.00 -1.56 0.00 0.00 55.97 53.66 1z8m s LYS 72 Cb -0.15 0.60 -0.07 0.00 -1.46 0.00 0.00 37.83 36.75 1z8m s LYS 72 CO 0.50 -0.85 2.42 -0.40 0.16 0.00 0.00 175.35 177.19 1z8m n ASP 73 N -0.62 2.28 -1.80 1.43 5.75 -1.26 -2.30 116.55 120.03 1z8m n ASP 73 Ca -0.05 -0.50 -0.13 0.00 -0.01 0.00 0.00 54.79 54.10 1z8m n ASP 73 Cb 0.59 -1.57 -0.04 0.00 -1.03 0.00 0.00 41.12 39.07 1z8m n ASP 73 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1z8m n ASP 74 N 15.84 -3.80 -3.77 -1.12 -0.08 -1.26 -4.91 116.55 117.45 1z8m n ASP 74 Ca 0.38 0.27 -0.13 0.00 -1.51 0.00 0.00 54.79 53.79 1z8m n ASP 74 Cb 0.54 -3.40 -0.09 0.00 2.34 0.00 0.00 41.12 40.50 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1z8m s GLU 75 N -3.89 0.56 0.15 -0.67 2.02 -0.97 -4.19 118.70 111.72 1z8m s GLU 75 Ca 0.00 -0.03 0.11 0.00 0.02 0.00 0.00 54.97 55.07 1z8m s GLU 75 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 1z8m s GLU 75 CO 0.00 -0.14 -0.25 -1.17 0.02 0.00 0.00 175.26 173.73 1z8m s LEU 76 N -0.89 2.36 -0.04 1.80 2.96 0.13 -0.55 118.68 124.44 1z8m s LEU 76 Ca -0.10 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1z8m s LEU 76 Cb -0.05 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.53 1z8m s LEU 76 CO 0.03 0.13 -0.06 0.27 -1.32 0.00 0.00 176.35 175.40 1z8m s ILE 77 N -1.32 0.64 -0.12 6.68 -5.25 -0.56 -2.39 121.20 118.88 1z8m s ILE 77 Ca 0.15 -0.20 -0.29 0.00 -0.99 0.00 0.00 60.65 59.31 1z8m s ILE 77 Cb -0.09 -0.63 -0.01 0.00 2.95 0.00 0.00 42.46 44.68 1z8m s ILE 77 CO 0.07 0.24 1.00 -0.76 -1.79 0.00 0.00 174.94 173.70 1z8m s LEU 78 N 0.74 4.23 -0.09 0.37 1.43 -1.15 0.29 118.68 124.50 1z8m s LEU 78 Ca -0.11 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.44 1z8m s LEU 78 Cb -0.14 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1z8m s LEU 78 CO 0.01 -0.47 -0.09 0.25 0.23 0.00 0.00 176.35 176.28 1z8m h LEU 79 N 8.18 0.00 -7.18 1.79 7.12 0.03 -2.12 115.31 123.13 1z8m h LEU 79 Ca -0.30 0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.84 1z8m h LEU 79 Cb 1.14 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 41.14 1z8m h LEU 79 CO 0.87 0.49 0.48 0.00 -0.13 0.00 0.00 178.44 180.15 1z8m s ARG 80 N -1.75 0.94 -0.04 1.25 1.04 -0.53 -1.71 118.95 118.15 1z8m s ARG 80 Ca -0.08 -0.40 -0.02 0.00 -1.04 0.00 0.00 55.73 54.19 1z8m s ARG 80 Cb 0.01 0.39 -0.04 0.00 -2.04 0.00 0.00 34.95 33.28 1z8m s ARG 80 CO 0.11 -0.42 0.06 -1.17 -0.04 0.00 0.00 175.30 173.85 1z8m s LEU 81 N -2.62 3.87 0.33 -1.89 1.98 -1.26 -0.41 118.68 118.67 1z8m s LEU 81 Ca 0.07 0.19 -0.02 0.00 -2.89 0.00 0.00 54.13 51.47 1z8m s LEU 81 Cb -0.01 -2.11 -0.00 0.00 0.66 0.00 0.00 46.19 44.73 1z8m s LEU 81 CO -0.06 0.32 0.44 -0.83 -1.89 0.00 0.00 176.35 174.33 1z8m s GLY 82 N -1.39 1.50 0.23 7.98 0.00 0.16 -4.82 107.32 110.98 1z8m s GLY 82 Ca 0.19 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.34 1z8m s GLY 82 CO 0.09 -1.04 0.24 -0.56 0.00 0.00 0.00 173.10 171.84 1z8m s SER 83 N -3.23 0.33 0.52 1.64 0.01 -1.26 0.01 113.70 111.71 1z8m s SER 83 Ca 0.31 -1.34 0.18 0.00 1.31 0.00 0.00 55.95 56.41 1z8m s SER 83 Cb 0.00 0.46 1.32 0.00 0.21 0.00 0.00 66.02 68.01 1z8m s SER 83 CO 0.20 -0.96 2.14 -0.74 0.41 0.00 0.00 173.24 174.29 1z8m h HIS 84 N 2.45 0.00 0.00 2.43 2.76 -1.89 0.14 115.15 121.04 1z8m h HIS 84 Ca -0.32 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.70 1z8m h HIS 84 Cb 1.25 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 1z8m h HIS 84 CO 0.60 0.03 -1.27 1.03 -1.30 0.00 0.00 177.93 177.01 1z8m h SER 85 N 0.00 0.00 0.00 3.26 0.87 -1.94 -2.78 113.55 112.97 1z8m h SER 85 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1z8m h SER 85 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1z8m h SER 85 CO 0.00 0.52 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.72 1z8m h GLU 86 N 0.00 0.00 -0.33 2.24 4.22 -1.68 -3.39 114.58 115.64 1z8m h GLU 86 Ca -0.13 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.15 1z8m h GLU 86 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1z8m h GLU 86 CO 0.04 0.00 -0.43 -0.07 -2.18 0.00 0.00 179.01 176.37 1z8m h LEU 87 N -0.18 0.92 -1.55 1.64 3.38 -1.00 -3.47 115.31 115.06 1z8m h LEU 87 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1z8m h LEU 87 Cb 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1z8m h LEU 87 CO 0.00 1.22 0.00 0.49 0.09 0.00 0.00 178.44 180.24