#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8r s PRO 2 N 0.00 4.30 -0.32 1.61 0.04 -1.26 -5.00 135.00 134.37 1z8r s PRO 2 Ca 0.00 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 1z8r s PRO 2 Cb 0.00 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1z8r s PRO 2 CO 0.00 -0.50 0.17 -0.47 0.04 0.00 0.00 177.00 176.24 1z8r s TYR 3 N 1.67 3.19 0.11 0.56 5.04 -1.26 -4.99 117.35 121.68 1z8r s TYR 3 Ca 0.65 -0.55 -0.20 0.00 -2.44 0.00 0.00 57.07 54.53 1z8r s TYR 3 Cb -0.35 -2.38 -0.09 0.00 0.35 0.00 0.00 41.96 39.50 1z8r s TYR 3 CO 0.29 -0.45 1.77 0.78 -1.34 0.00 0.00 175.55 176.59 1z8r h GLY 4 N 8.37 0.22 -3.36 8.97 0.00 -1.94 -3.49 103.07 111.84 1z8r h GLY 4 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1z8r h GLY 4 CO 0.62 0.08 -0.83 1.57 0.00 0.00 0.00 176.54 177.98 1z8r n HIS 5 N -4.98 -3.98 -2.69 5.60 -0.00 -1.26 -4.95 115.22 102.96 1z8r n HIS 5 Ca -0.04 2.12 -0.02 0.00 0.46 0.00 0.00 57.72 60.24 1z8r n HIS 5 Cb 0.03 -3.29 0.00 0.00 -0.12 0.00 0.00 29.99 26.61 1z8r n HIS 5 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1z8r n GLN 6 N -1.05 -3.05 -1.39 1.57 7.27 -1.26 -4.85 117.38 114.63 1z8r n GLN 6 Ca 0.00 2.52 0.19 0.00 0.07 0.00 0.00 57.00 59.78 1z8r n GLN 6 Cb 0.04 -5.27 -0.05 0.00 2.41 0.00 0.00 30.24 27.37 1z8r n GLN 6 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1z8r n SER 7 N 0.40 -8.23 0.00 1.69 7.64 -1.26 -5.04 113.62 108.83 1z8r n SER 7 Ca 0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1z8r n SER 7 Cb 0.12 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1z8r n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1z8r n GLY 8 N -4.11 -1.87 7.00 0.23 0.00 -1.26 -4.91 105.19 100.26 1z8r n GLY 8 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1z8r n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z8r n ALA 9 N -1.55 0.00 -3.89 4.61 0.00 -1.26 -4.69 120.51 113.72 1z8r n ALA 9 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1z8r n ALA 9 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1z8r n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1z8r s VAL 10 N 0.00 1.43 -0.20 0.00 0.11 -0.98 -4.99 120.40 115.76 1z8r s VAL 10 Ca 0.00 -1.39 -0.08 0.00 -2.93 0.00 0.00 61.98 57.58 1z8r s VAL 10 Cb 0.00 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1z8r s VAL 10 CO 0.00 -0.31 0.09 -0.72 -3.33 0.00 0.00 175.10 170.82 1z8r s TYR 11 N 1.40 3.25 -0.08 1.54 1.13 -1.26 -2.13 117.35 121.19 1z8r s TYR 11 Ca 0.01 0.05 0.05 0.00 -1.41 0.00 0.00 57.07 55.76 1z8r s TYR 11 Cb -0.18 -2.14 -0.01 0.00 -1.10 0.00 0.00 41.96 38.52 1z8r s TYR 11 CO -0.11 0.07 -0.23 0.08 -2.51 0.00 0.00 175.55 172.85 1z8r s VAL 12 N 0.69 2.22 0.00 -3.49 1.01 0.14 -3.96 120.40 117.01 1z8r s VAL 12 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1z8r s VAL 12 Cb -0.13 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1z8r s VAL 12 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1z8r n GLY 13 N 3.17 3.09 1.23 4.51 0.00 -1.26 -0.40 105.19 115.52 1z8r n GLY 13 Ca -0.18 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1z8r n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1z8r n ASN 14 N 3.00 3.52 -4.13 1.61 4.13 -1.26 -3.39 115.26 118.73 1z8r n ASN 14 Ca 0.00 -2.46 -0.21 0.00 1.68 0.00 0.00 54.58 53.59 1z8r n ASN 14 Cb 0.00 -0.56 -0.14 0.00 -1.54 0.00 0.00 39.78 37.54 1z8r n ASN 14 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1z8r s TYR 15 N -1.93 1.23 -0.18 3.10 2.02 0.46 -2.12 117.35 119.93 1z8r s TYR 15 Ca 0.31 -0.32 -0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1z8r s TYR 15 Cb 0.23 -0.75 0.04 0.00 -0.40 0.00 0.00 41.96 41.08 1z8r s TYR 15 CO 0.10 0.02 -0.06 0.21 -1.57 0.00 0.00 175.55 174.25 1z8r s LYS 16 N -0.92 1.59 -0.25 -0.62 2.36 0.25 0.25 119.74 122.40 1z8r s LYS 16 Ca 0.03 -0.63 -0.09 0.00 -2.55 0.00 0.00 55.97 52.73 1z8r s LYS 16 Cb -0.07 -2.15 -0.04 0.00 -1.05 0.00 0.00 37.83 34.52 1z8r s LYS 16 CO 0.01 -0.44 0.12 0.14 1.55 0.00 0.00 175.35 176.73 1z8r s VAL 17 N 1.56 4.82 0.10 4.02 -7.23 -0.91 -1.23 120.40 121.53 1z8r s VAL 17 Ca -0.00 -0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1z8r s VAL 17 Cb -0.16 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1z8r s VAL 17 CO -0.08 0.32 -0.05 0.54 -0.31 0.00 0.00 175.10 175.53 1z8r s VAL 18 N 1.45 0.60 0.42 1.32 0.11 -0.89 -2.32 120.40 121.10 1z8r s VAL 18 Ca 0.06 -1.92 -0.26 0.00 -2.93 0.00 0.00 61.98 56.93 1z8r s VAL 18 Cb -0.15 -1.71 -0.10 0.00 -1.53 0.00 0.00 36.38 32.90 1z8r s VAL 18 CO 0.06 -0.84 1.45 -3.20 -3.33 0.00 0.00 175.10 169.24 1z8r n ASN 19 N -0.04 3.52 -0.13 3.54 2.85 -1.26 -2.21 115.26 121.53 1z8r n ASN 19 Ca -0.12 1.17 -0.05 0.00 -0.11 0.00 0.00 54.58 55.47 1z8r n ASN 19 Cb 0.61 -1.61 0.03 0.00 1.24 0.00 0.00 39.78 40.06 1z8r n ASN 19 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1z8r h ARG 20 N 2.58 0.32 0.00 1.20 1.12 -0.06 0.39 114.38 119.93 1z8r h ARG 20 Ca -0.51 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 1z8r h ARG 20 Cb 1.26 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1z8r h ARG 20 CO 0.62 0.21 0.00 1.58 -3.11 0.00 0.00 179.97 179.27 1z8r n HIS 21 N -5.00 0.00 0.43 2.20 -0.00 -1.26 -2.19 115.22 109.40 1z8r n HIS 21 Ca 0.03 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.26 1z8r n HIS 21 Cb 0.15 -0.45 -0.07 0.00 -0.12 0.00 0.00 29.99 29.50 1z8r n HIS 21 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1z8r n LEU 22 N -1.45 0.44 -4.78 0.27 7.94 0.32 -5.01 117.00 114.73 1z8r n LEU 22 Ca 0.04 -0.42 -0.35 0.00 -1.11 0.00 0.00 56.01 54.17 1z8r n LEU 22 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1z8r n LEU 22 CO 0.12 0.11 0.77 0.00 -1.11 0.00 0.00 177.39 177.28 1z8r s ALA 23 N -2.17 2.70 0.40 1.96 0.00 0.11 -4.88 121.76 119.88 1z8r s ALA 23 Ca 0.03 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.84 1z8r s ALA 23 Cb 0.08 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1z8r s ALA 23 CO 0.46 -0.76 0.41 0.95 0.00 0.00 0.00 175.76 176.82 1z8r s THR 24 N -1.85 2.95 0.53 0.00 -4.23 -1.26 -4.96 115.64 106.83 1z8r s THR 24 Ca 0.72 -1.26 0.25 0.00 -1.18 0.00 0.00 61.69 60.22 1z8r s THR 24 Cb -0.23 -3.05 0.40 0.00 1.34 0.00 0.00 72.50 70.96 1z8r s THR 24 CO 0.27 -0.04 2.00 -0.74 -0.54 0.00 0.00 174.62 175.57 1z8r h HIS 25 N 0.98 0.00 0.00 3.99 2.76 -1.99 0.14 115.15 121.03 1z8r h HIS 25 Ca -0.42 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.57 1z8r h HIS 25 Cb 1.27 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 1z8r h HIS 25 CO 0.49 0.00 -0.85 -0.24 -1.30 0.00 0.00 177.93 176.03 1z8r h VAL 26 N 0.00 1.56 -0.36 5.26 3.04 -1.98 -1.09 116.25 122.68 1z8r h VAL 26 Ca 0.25 -2.77 -0.06 0.00 -1.01 0.00 0.00 66.70 63.11 1z8r h VAL 26 Cb 1.00 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 32.79 1z8r h VAL 26 CO -0.00 0.80 -0.00 0.44 -1.01 0.00 0.00 177.57 177.79 1z8r h ASP 27 N 0.04 0.63 0.70 3.17 3.32 -1.10 -2.55 116.42 120.64 1z8r h ASP 27 Ca -0.02 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.57 1z8r h ASP 27 Cb 1.49 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 1z8r h ASP 27 CO 0.12 0.79 -0.71 -0.50 -1.72 0.00 0.00 179.24 177.21 1z8r h TRP 28 N 0.46 0.01 -0.65 4.55 6.55 -1.47 -0.91 115.95 124.50 1z8r h TRP 28 Ca 0.10 -0.01 0.05 0.00 0.95 0.00 0.00 58.89 59.99 1z8r h TRP 28 Cb 0.47 -0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.72 1z8r h TRP 28 CO 0.04 0.72 0.37 0.37 -1.05 0.00 0.00 178.44 178.89 1z8r h GLN 29 N 0.01 0.67 -0.39 0.49 5.75 -0.91 -2.48 115.11 118.25 1z8r h GLN 29 Ca -0.01 -0.04 -0.23 0.00 -0.15 0.00 0.00 58.65 58.22 1z8r h GLN 29 Cb 1.26 -0.15 -0.14 0.00 1.07 0.00 0.00 27.48 29.52 1z8r h GLN 29 CO 0.09 0.44 -0.20 0.09 -2.65 0.00 0.00 178.83 176.61 1z8r n ASN 30 N -4.77 2.93 -4.71 -0.69 3.02 -0.99 -5.02 115.26 105.04 1z8r n ASN 30 Ca 0.07 -3.81 -0.42 0.00 -0.03 0.00 0.00 54.58 50.39 1z8r n ASN 30 Cb 0.15 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 1z8r n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1z8r n VAL 32 N 4.03 1.75 -4.02 0.00 0.24 0.30 -4.95 118.33 115.69 1z8r n VAL 32 Ca 0.07 -0.65 -0.09 0.00 -2.04 0.00 0.00 64.34 61.63 1z8r n VAL 32 Cb 0.50 -1.69 -0.11 0.00 -1.47 0.00 0.00 33.84 31.07 1z8r n VAL 32 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1z8r s TRP 33 N -2.55 0.38 -0.30 6.34 -0.00 -1.04 -4.98 118.94 116.78 1z8r s TRP 33 Ca -0.24 -0.65 -0.08 0.00 -0.00 0.00 0.00 56.10 55.14 1z8r s TRP 33 Cb 0.07 -0.27 0.14 0.00 -0.00 0.00 0.00 33.47 33.42 1z8r s TRP 33 CO 0.75 -0.22 0.63 -2.00 -0.00 0.00 0.00 176.95 176.12 1z8r s GLU 34 N -2.06 0.57 -0.26 5.86 -6.30 -1.26 0.74 118.70 115.99 1z8r s GLU 34 Ca -0.10 1.33 -0.07 0.00 -2.50 0.00 0.00 54.97 53.64 1z8r s GLU 34 Cb -0.06 0.78 -0.02 0.00 0.00 0.00 0.00 34.13 34.84 1z8r s GLU 34 CO -0.03 -0.31 0.07 -0.51 0.02 0.00 0.00 175.26 174.50 1z8r s ASP 35 N 2.88 5.09 0.15 -1.70 1.01 0.71 -4.98 116.67 119.84 1z8r s ASP 35 Ca 0.01 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 52.77 1z8r s ASP 35 Cb -0.13 -1.90 0.02 0.00 1.01 0.00 0.00 42.92 41.92 1z8r s ASP 35 CO -0.19 -0.09 1.61 0.22 0.21 0.00 0.00 175.17 176.93 1z8r h TYR 36 N 8.24 0.92 0.00 4.23 3.20 -1.97 0.20 116.97 131.80 1z8r h TYR 36 Ca -0.36 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.35 1z8r h TYR 36 Cb 1.16 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1z8r h TYR 36 CO 0.65 0.87 0.00 0.09 -1.64 0.00 0.00 178.16 178.12 1z8r n ASN 37 N -4.35 0.61 -0.25 -2.11 4.13 -1.26 -1.84 115.26 110.18 1z8r n ASN 37 Ca 0.01 0.69 0.03 0.00 1.68 0.00 0.00 54.58 56.99 1z8r n ASN 37 Cb 0.30 -0.81 0.03 0.00 -1.54 0.00 0.00 39.78 37.76 1z8r n ASN 37 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1z8r n ARG 38 N -2.22 0.05 -4.23 3.52 1.74 -0.86 0.10 116.66 114.75 1z8r n ARG 38 Ca 0.01 -0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 55.80 1z8r n ARG 38 Cb 0.16 -1.12 -0.05 0.00 -1.02 0.00 0.00 32.46 30.43 1z8r n ARG 38 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1z8r n ASP 39 N 0.33 -2.33 -4.06 0.55 5.68 0.66 -4.88 116.55 112.50 1z8r n ASP 39 Ca 0.04 -1.00 -0.11 0.00 -0.50 0.00 0.00 54.79 53.21 1z8r n ASP 39 Cb 0.17 -1.98 -0.11 0.00 -1.14 0.00 0.00 41.12 38.05 1z8r n ASP 39 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1z8r s LEU 40 N -7.04 2.31 0.05 -2.12 2.96 -0.99 0.69 118.68 114.54 1z8r s LEU 40 Ca 0.73 -0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1z8r s LEU 40 Cb -0.41 -0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.22 1z8r s LEU 40 CO 0.89 -0.29 0.23 -1.48 -1.32 0.00 0.00 176.35 174.38 1z8r s LEU 41 N -1.86 1.22 -0.10 -0.68 -0.00 -0.94 -0.21 118.68 116.11 1z8r s LEU 41 Ca -0.07 -0.36 0.04 0.00 -0.00 0.00 0.00 54.13 53.74 1z8r s LEU 41 Cb -0.07 1.10 -0.00 0.00 -0.00 0.00 0.00 46.19 47.22 1z8r s LEU 41 CO -0.01 -0.61 -0.24 -0.69 -0.00 0.00 0.00 176.35 174.80 1z8r s VAL 42 N -2.78 2.10 0.23 1.48 1.01 0.23 -2.09 120.40 120.57 1z8r s VAL 42 Ca -0.03 -1.01 0.11 0.00 0.00 0.00 0.00 61.98 61.05 1z8r s VAL 42 Cb -0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1z8r s VAL 42 CO -0.05 0.56 -0.22 -0.94 0.00 0.00 0.00 175.10 174.45 1z8r s SER 43 N 0.34 3.46 -0.24 3.32 1.04 -0.37 0.11 113.70 121.36 1z8r s SER 43 Ca -0.19 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.17 1z8r s SER 43 Cb -0.18 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 1z8r s SER 43 CO 0.09 0.07 0.26 0.42 0.98 0.00 0.00 173.24 175.06 1z8r s THR 44 N -2.09 5.28 0.34 2.02 -4.23 -0.92 0.88 115.64 116.93 1z8r s THR 44 Ca 0.25 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 61.23 1z8r s THR 44 Cb -0.06 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1z8r s THR 44 CO 0.12 0.28 0.04 0.28 -0.54 0.00 0.00 174.62 174.80 1z8r s THR 45 N 1.35 2.70 -0.72 3.99 -1.32 -0.90 -4.97 115.64 115.77 1z8r s THR 45 Ca 0.12 -1.91 -0.01 0.00 -1.21 0.00 0.00 61.69 58.68 1z8r s THR 45 Cb -0.14 -2.84 0.39 0.00 -1.51 0.00 0.00 72.50 68.40 1z8r s THR 45 CO 0.07 -0.19 1.87 0.35 -2.21 0.00 0.00 174.62 174.51 1z8r n THR 46 N -1.00 3.40 -3.72 5.08 -2.24 -1.26 -4.67 114.28 109.87 1z8r n THR 46 Ca -0.04 -4.02 -0.14 0.00 -2.27 0.00 0.00 64.05 57.58 1z8r n THR 46 Cb 0.62 -1.22 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 1z8r n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1z8r s ALA 47 N -3.92 -1.04 0.52 6.98 0.00 -1.26 -5.15 121.76 117.89 1z8r s ALA 47 Ca 0.55 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 1z8r s ALA 47 Cb 0.45 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 1z8r s ALA 47 CO -0.26 -0.24 1.19 -1.01 0.00 0.00 0.00 175.76 175.44 1z8r s HIS 48 N -0.51 2.65 0.10 0.00 0.09 -1.26 -4.40 115.29 111.96 1z8r s HIS 48 Ca -0.06 1.51 -0.27 0.00 -0.00 0.00 0.00 55.06 56.24 1z8r s HIS 48 Cb -0.03 -3.43 -0.06 0.00 -0.00 0.00 0.00 32.58 29.05 1z8r s HIS 48 CO 0.03 -1.84 0.84 0.20 -0.00 0.00 0.00 174.74 173.97 1z8r s GLY 49 N -1.46 2.90 -0.17 -2.22 0.00 -1.22 -4.79 107.32 100.35 1z8r s GLY 49 Ca 0.70 0.40 0.12 0.00 0.00 0.00 0.00 44.72 45.94 1z8r s GLY 49 CO 0.34 1.17 1.48 0.00 0.00 0.00 0.00 173.10 176.09 1z8r s ASP 51 N -0.64 0.87 -0.20 0.00 1.11 -1.26 -5.11 116.67 111.43 1z8r s ASP 51 Ca 0.43 -0.38 0.01 0.00 0.18 0.00 0.00 52.55 52.79 1z8r s ASP 51 Cb 0.32 -0.02 0.03 0.00 1.07 0.00 0.00 42.92 44.32 1z8r s ASP 51 CO 0.14 -0.08 -0.17 -0.89 1.18 0.00 0.00 175.17 175.35 1z8r s THR 52 N -0.86 2.16 0.25 -1.27 2.01 -1.26 -4.74 115.64 111.92 1z8r s THR 52 Ca -0.04 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 1z8r s THR 52 Cb -0.07 -2.00 -0.09 0.00 0.01 0.00 0.00 72.50 70.35 1z8r s THR 52 CO 0.00 0.40 1.03 -0.63 -0.69 0.00 0.00 174.62 174.73 1z8r s ILE 53 N 1.26 3.80 -0.10 1.82 -1.09 -1.26 0.19 121.20 125.81 1z8r s ILE 53 Ca 0.02 1.78 -0.16 0.00 -2.23 0.00 0.00 60.65 60.05 1z8r s ILE 53 Cb -0.15 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1z8r s ILE 53 CO -0.11 0.41 0.42 0.00 -1.23 0.00 0.00 174.94 174.43 1z8r s ALA 54 N -1.07 3.55 -0.31 9.38 0.00 0.53 -3.85 121.76 130.00 1z8r s ALA 54 Ca 0.43 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1z8r s ALA 54 Cb -0.29 -2.53 0.42 0.00 0.00 0.00 0.00 23.12 20.72 1z8r s ALA 54 CO 0.36 0.13 1.52 -2.13 0.00 0.00 0.00 175.76 175.64 1z8r n ARG 55 N 3.24 1.97 -3.35 0.00 0.00 -1.26 -4.73 116.66 112.53 1z8r n ARG 55 Ca -0.10 -1.83 -0.19 0.00 -0.00 0.00 0.00 57.85 55.73 1z8r n ARG 55 Cb 0.52 -1.75 -0.00 0.00 0.00 0.00 0.00 32.46 31.23 1z8r n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1z8r n GLN 57 N -1.71 2.01 -1.67 0.00 1.13 -1.26 -5.07 117.38 110.81 1z8r n GLN 57 Ca 0.01 -3.40 -0.46 0.00 -1.94 0.00 0.00 57.00 51.21 1z8r n GLN 57 Cb 0.58 -1.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 1z8r n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1z8r n THR 59 N 2.97 0.76 -4.41 0.00 -1.04 -1.26 -4.73 114.28 106.56 1z8r n THR 59 Ca 0.15 0.16 -0.27 0.00 -2.04 0.00 0.00 64.05 62.05 1z8r n THR 59 Cb 0.29 -0.92 -0.12 0.00 -1.82 0.00 0.00 70.33 67.77 1z8r n THR 59 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1z8r s THR 60 N -3.08 2.31 0.00 12.58 -4.23 -1.26 -0.35 115.64 121.60 1z8r s THR 60 Ca 0.08 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1z8r s THR 60 Cb 0.11 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1z8r s THR 60 CO 0.37 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 1z8r n GLY 61 N 0.38 1.45 2.76 3.99 0.00 0.03 -4.91 105.19 108.90 1z8r n GLY 61 Ca -0.14 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 1z8r n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z8r s VAL 62 N -2.44 -0.03 -0.16 1.61 0.11 -0.98 0.10 120.40 118.61 1z8r s VAL 62 Ca 0.00 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.19 1z8r s VAL 62 Cb 0.00 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.68 1z8r s VAL 62 CO 0.00 0.11 0.17 -0.72 -3.33 0.00 0.00 175.10 171.34 1z8r s TYR 63 N 1.28 3.49 -0.14 1.54 -0.85 -0.29 -2.30 117.35 120.08 1z8r s TYR 63 Ca -0.06 0.47 -0.03 0.00 -0.52 0.00 0.00 57.07 56.93 1z8r s TYR 63 Cb -0.13 -2.13 -0.03 0.00 0.38 0.00 0.00 41.96 40.06 1z8r s TYR 63 CO -0.03 0.44 -0.05 0.12 -1.52 0.00 0.00 175.55 174.51 1z8r s PHE 64 N -0.12 3.01 -1.55 -3.49 5.36 -1.21 -0.50 117.98 119.47 1z8r s PHE 64 Ca 0.12 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1z8r s PHE 64 Cb -0.12 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 1z8r s PHE 64 CO 0.02 0.02 0.00 0.00 -1.46 0.00 0.00 175.22 173.79 1z8r h ALA 66 N 0.67 0.22 0.00 0.00 0.00 -1.79 -1.55 119.26 116.81 1z8r h ALA 66 Ca -0.33 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1z8r h ALA 66 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1z8r h ALA 66 CO 0.46 0.23 -0.01 0.43 0.00 0.00 0.00 179.25 180.36 1z8r n SER 67 N -4.41 -0.05 0.00 0.00 7.64 -1.26 -3.82 113.62 111.72 1z8r n SER 67 Ca -0.07 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1z8r n SER 67 Cb 0.47 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1z8r n SER 67 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1z8r n LYS 68 N 0.00 0.00 -1.58 1.43 4.76 -1.26 -4.27 118.16 117.23 1z8r n LYS 68 Ca -0.01 -0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.11 1z8r n LYS 68 Cb 0.50 -0.28 -0.05 0.00 -1.84 0.00 0.00 35.03 33.37 1z8r n LYS 68 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1z8r n SER 69 N 0.00 -3.54 -4.02 4.39 2.88 -1.26 -4.87 113.62 107.19 1z8r n SER 69 Ca 0.00 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.73 1z8r n SER 69 Cb 0.42 -3.25 -0.07 0.00 -0.75 0.00 0.00 64.21 60.55 1z8r n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1z8r s LYS 70 N -3.47 1.44 -0.26 -1.46 1.02 -1.26 -4.61 119.74 111.13 1z8r s LYS 70 Ca 0.00 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.29 1z8r s LYS 70 Cb 0.00 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 1z8r s LYS 70 CO 0.00 -0.55 0.90 -1.01 -0.92 0.00 0.00 175.35 173.77 1z8r s HIS 71 N -4.00 3.29 -0.21 3.18 3.76 -1.26 -2.28 115.29 117.76 1z8r s HIS 71 Ca 0.30 1.18 0.02 0.00 -0.15 0.00 0.00 55.06 56.40 1z8r s HIS 71 Cb 0.02 -3.19 0.04 0.00 1.11 0.00 0.00 32.58 30.57 1z8r s HIS 71 CO 0.11 -0.48 -0.12 0.71 -0.85 0.00 0.00 174.74 174.11 1z8r s TYR 72 N 3.03 2.75 -0.07 1.40 1.51 0.35 -4.94 117.35 121.38 1z8r s TYR 72 Ca 0.38 -1.83 -0.30 0.00 -1.01 0.00 0.00 57.07 54.31 1z8r s TYR 72 Cb -0.15 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1z8r s TYR 72 CO 0.08 -0.80 1.56 -2.14 -1.11 0.00 0.00 175.55 173.14 1z8r s PRO 73 N 1.28 4.20 0.03 -1.71 0.02 -1.26 -1.14 135.00 136.42 1z8r s PRO 73 Ca -0.02 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.03 1z8r s PRO 73 Cb -0.17 -3.90 -0.01 0.00 0.02 0.00 0.00 34.50 30.44 1z8r s PRO 73 CO -0.08 -0.79 0.06 0.54 -0.33 0.00 0.00 177.00 176.39 1z8r s VAL 74 N 3.75 0.13 -0.22 3.83 0.11 0.28 -4.94 120.40 123.34 1z8r s VAL 74 Ca 0.69 -1.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.54 1z8r s VAL 74 Cb -0.31 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1z8r s VAL 74 CO 0.26 -0.59 0.28 -0.44 -3.33 0.00 0.00 175.10 171.29 1z8r s SER 75 N -1.93 6.29 0.17 3.54 0.01 -1.26 -0.79 113.70 119.73 1z8r s SER 75 Ca -0.08 0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.56 1z8r s SER 75 Cb -0.03 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1z8r s SER 75 CO -0.03 0.00 -0.09 0.72 0.41 0.00 0.00 173.24 174.25 1z8r s PHE 76 N 1.14 1.39 0.25 2.43 -0.12 0.52 -3.94 117.98 119.66 1z8r s PHE 76 Ca 0.14 -0.77 0.09 0.00 -0.05 0.00 0.00 56.93 56.34 1z8r s PHE 76 Cb -0.14 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 1z8r s PHE 76 CO 0.06 0.10 0.02 -1.21 -0.05 0.00 0.00 175.22 174.14 1z8r s GLU 77 N -3.76 2.39 -0.86 1.99 0.41 -0.92 -4.45 118.70 113.51 1z8r s GLU 77 Ca 0.20 -1.33 0.01 0.00 -0.41 0.00 0.00 54.97 53.44 1z8r s GLU 77 Cb 0.03 -2.24 0.31 0.00 -1.78 0.00 0.00 34.13 30.45 1z8r s GLU 77 CO 0.03 0.38 1.33 0.41 -0.49 0.00 0.00 175.26 176.92 1z8r n GLY 78 N -0.84 5.52 3.77 -1.39 0.00 -1.26 -2.06 105.19 108.94 1z8r n GLY 78 Ca -0.07 -2.69 -0.40 0.00 0.00 0.00 0.00 46.02 42.86 1z8r n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1z8r s PRO 79 N -3.39 4.24 0.04 1.61 0.02 -1.14 -4.87 135.00 131.51 1z8r s PRO 79 Ca 0.39 2.17 -0.32 0.00 0.02 0.00 0.00 61.00 63.27 1z8r s PRO 79 Cb 0.17 -2.97 -0.18 0.00 0.02 0.00 0.00 34.50 31.54 1z8r s PRO 79 CO -0.05 -0.26 1.32 0.78 -0.33 0.00 0.00 177.00 178.46 1z8r h GLY 80 N 3.16 -1.19 -5.90 0.52 0.00 -1.94 -2.68 103.07 95.05 1z8r h GLY 80 Ca -0.49 0.44 -0.67 0.00 0.00 0.00 0.00 47.33 46.61 1z8r h GLY 80 CO 0.65 -0.43 -0.86 -2.27 0.00 0.00 0.00 176.54 173.62 1z8r s LEU 81 N -9.68 2.12 -0.10 3.11 1.98 -1.26 0.13 118.68 114.97 1z8r s LEU 81 Ca -0.17 -0.63 0.00 0.00 -2.89 0.00 0.00 54.13 50.45 1z8r s LEU 81 Cb 0.02 -1.46 0.02 0.00 0.66 0.00 0.00 46.19 45.43 1z8r s LEU 81 CO 0.50 0.04 -0.10 -0.69 -1.89 0.00 0.00 176.35 174.21 1z8r s VAL 82 N 1.08 1.13 -0.44 1.68 1.01 -0.09 -4.97 120.40 119.79 1z8r s VAL 82 Ca -0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 1z8r s VAL 82 Cb -0.14 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1z8r s VAL 82 CO -0.08 0.38 1.58 -1.61 0.00 0.00 0.00 175.10 175.36 1z8r s GLU 83 N 1.40 3.34 -0.14 2.72 0.41 -1.26 -1.76 118.70 123.40 1z8r s GLU 83 Ca -0.00 0.94 -0.29 0.00 -0.41 0.00 0.00 54.97 55.21 1z8r s GLU 83 Cb -0.13 -4.14 -0.01 0.00 -1.78 0.00 0.00 34.13 28.07 1z8r s GLU 83 CO -0.05 -1.86 1.14 0.14 -0.49 0.00 0.00 175.26 174.14 1z8r s VAL 84 N 6.40 4.48 0.55 2.63 -7.23 0.12 -4.92 120.40 122.43 1z8r s VAL 84 Ca 0.65 1.78 -0.19 0.00 -1.81 0.00 0.00 61.98 62.41 1z8r s VAL 84 Cb -0.15 -4.15 -0.06 0.00 0.56 0.00 0.00 36.38 32.58 1z8r s VAL 84 CO 0.30 -0.09 1.13 -1.10 -0.31 0.00 0.00 175.10 175.03 1z8r s GLN 85 N 2.82 3.32 -0.52 4.82 -0.21 -1.26 -1.45 119.66 127.18 1z8r s GLN 85 Ca 0.51 1.60 -0.27 0.00 0.02 0.00 0.00 55.36 57.22 1z8r s GLN 85 Cb -0.20 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 1z8r s GLN 85 CO 0.15 -0.87 1.92 -2.00 -2.12 0.00 0.00 175.29 172.37 1z8r s GLU 86 N -3.33 2.73 0.08 2.91 2.12 -1.26 -4.52 118.70 117.44 1z8r s GLU 86 Ca 0.73 0.94 -0.05 0.00 0.36 0.00 0.00 54.97 56.94 1z8r s GLU 86 Cb -0.24 -4.37 -0.02 0.00 0.26 0.00 0.00 34.13 29.76 1z8r s GLU 86 CO 0.28 -2.58 0.10 -1.54 -0.54 0.00 0.00 175.26 170.97 1z8r s SER 87 N 8.17 0.27 0.00 -1.70 1.04 -0.70 -4.88 113.70 115.91 1z8r s SER 87 Ca 0.75 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1z8r s SER 87 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1z8r s SER 87 CO 0.25 -0.69 0.00 1.21 0.98 0.00 0.00 173.24 174.99 1z8r n GLU 88 N -0.01 0.00 -0.60 4.02 4.07 -1.26 -0.66 120.64 126.21 1z8r n GLU 88 Ca -0.13 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1z8r n GLU 88 Cb 0.62 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.99 1z8r n GLU 88 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1z8r n TYR 89 N 0.00 0.00 -5.23 4.31 0.18 -1.26 -5.11 117.16 110.06 1z8r n TYR 89 Ca 0.00 -0.07 -0.32 0.00 1.88 0.00 0.00 57.90 59.39 1z8r n TYR 89 Cb 0.00 0.17 -0.17 0.00 -0.38 0.00 0.00 39.34 38.97 1z8r n TYR 89 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1z8r s TYR 90 N 0.00 2.50 0.43 -3.48 6.14 0.17 -5.13 117.35 117.98 1z8r s TYR 90 Ca 0.02 -0.83 -0.22 0.00 0.64 0.00 0.00 57.07 56.68 1z8r s TYR 90 Cb 0.02 -1.65 -0.10 0.00 0.42 0.00 0.00 41.96 40.65 1z8r s TYR 90 CO -0.01 -0.28 1.00 -1.25 0.64 0.00 0.00 175.55 175.65 1z8r s PRO 91 N 0.03 4.11 -0.84 4.97 0.04 -1.26 -1.72 135.00 140.32 1z8r s PRO 91 Ca -0.09 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.03 1z8r s PRO 91 Cb -0.15 -2.29 -0.19 0.00 0.04 0.00 0.00 34.50 31.91 1z8r s PRO 91 CO 0.06 -0.16 2.32 1.17 0.04 0.00 0.00 177.00 180.43 1z8r n LYS 92 N -0.51 0.40 -3.51 4.56 4.81 -1.25 -4.56 118.16 118.10 1z8r n LYS 92 Ca 0.07 -0.71 -0.18 0.00 -0.87 0.00 0.00 58.31 56.62 1z8r n LYS 92 Cb 0.52 -3.10 -0.04 0.00 0.02 0.00 0.00 35.03 32.44 1z8r n LYS 92 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1z8r n ARG 93 N 7.99 1.08 -3.77 1.64 3.00 -0.53 -4.89 116.66 121.18 1z8r n ARG 93 Ca 0.50 -2.12 -0.36 0.00 -0.00 0.00 0.00 57.85 55.88 1z8r n ARG 93 Cb 0.37 0.77 -0.08 0.00 0.00 0.00 0.00 32.46 33.53 1z8r n ARG 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1z8r s TYR 94 N -2.21 3.46 -0.10 -0.14 1.51 -1.26 0.15 117.35 118.75 1z8r s TYR 94 Ca 0.04 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1z8r s TYR 94 Cb 0.00 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1z8r s TYR 94 CO 0.03 0.41 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.62 1z8r s GLN 95 N -0.00 1.91 0.48 -0.62 2.00 -0.72 -4.66 119.66 118.04 1z8r s GLN 95 Ca 0.10 -0.44 -0.03 0.00 -2.00 0.00 0.00 55.36 52.99 1z8r s GLN 95 Cb -0.11 -1.71 -0.02 0.00 0.80 0.00 0.00 33.01 31.97 1z8r s GLN 95 CO -0.00 -0.12 0.74 0.45 -0.50 0.00 0.00 175.29 175.86 1z8r s SER 96 N 1.17 6.00 -1.27 6.67 0.15 0.28 -0.92 113.70 125.78 1z8r s SER 96 Ca -0.04 0.63 -0.20 0.00 0.70 0.00 0.00 55.95 57.04 1z8r s SER 96 Cb -0.14 -1.90 0.02 0.00 -1.71 0.00 0.00 66.02 62.29 1z8r s SER 96 CO -0.03 -0.68 0.58 1.41 1.20 0.00 0.00 173.24 175.72 1z8r n HIS 97 N -2.21 -1.56 -4.99 3.44 8.25 0.35 -4.50 115.22 114.00 1z8r n HIS 97 Ca 0.01 0.36 -0.28 0.00 -0.26 0.00 0.00 57.72 57.55 1z8r n HIS 97 Cb 0.57 -3.13 -0.16 0.00 1.12 0.00 0.00 29.99 28.39 1z8r n HIS 97 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1z8r s VAL 98 N -3.70 1.64 0.05 1.59 0.11 -1.01 -2.31 120.40 116.77 1z8r s VAL 98 Ca 0.34 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1z8r s VAL 98 Cb -0.16 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1z8r s VAL 98 CO 0.93 0.46 0.16 -0.76 -3.33 0.00 0.00 175.10 172.56 1z8r s LEU 99 N -0.17 4.16 -0.05 2.54 1.02 0.21 -2.90 118.68 123.49 1z8r s LEU 99 Ca -0.00 0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.37 1z8r s LEU 99 Cb -0.11 -2.73 0.01 0.00 0.02 0.00 0.00 46.19 43.38 1z8r s LEU 99 CO 0.02 0.19 -0.14 -0.76 0.02 0.00 0.00 176.35 175.67 1z8r s LEU 100 N -2.35 1.78 -0.05 1.79 1.43 -0.87 0.11 118.68 120.52 1z8r s LEU 100 Ca 0.31 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1z8r s LEU 100 Cb -0.13 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1z8r s LEU 100 CO 0.24 0.09 -0.14 0.00 0.23 0.00 0.00 176.35 176.77 1z8r s ALA 101 N 0.37 1.31 -0.34 4.21 0.00 -0.01 -2.15 121.76 125.15 1z8r s ALA 101 Ca -0.10 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 1z8r s ALA 101 Cb -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1z8r s ALA 101 CO 0.03 0.17 0.52 -0.08 0.00 0.00 0.00 175.76 176.40 1z8r s THR 102 N 0.41 5.01 0.00 0.00 -1.32 -1.25 0.26 115.64 118.74 1z8r s THR 102 Ca -0.10 0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1z8r s THR 102 Cb -0.14 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 1z8r s THR 102 CO 0.03 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1z8r n GLY 103 N 4.75 0.31 1.44 6.08 0.00 -0.80 -4.79 105.19 112.19 1z8r n GLY 103 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1z8r n GLY 103 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1z8r n PHE 104 N 0.00 -0.37 -3.88 1.61 -0.00 -1.26 -5.05 117.46 108.51 1z8r n PHE 104 Ca 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1z8r n PHE 104 Cb 0.00 0.23 0.02 0.00 -0.00 0.00 0.00 39.48 39.73 1z8r n PHE 104 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1z8r s SER 105 N -5.18 -0.00 -0.20 -2.13 0.01 -1.26 -4.92 113.70 100.01 1z8r s SER 105 Ca 0.00 -0.68 -0.00 0.00 1.31 0.00 0.00 55.95 56.58 1z8r s SER 105 Cb 0.00 0.51 0.05 0.00 0.21 0.00 0.00 66.02 66.79 1z8r s SER 105 CO 0.00 -1.01 -0.04 -1.61 0.41 0.00 0.00 173.24 170.99 1z8r s GLU 106 N -2.21 1.40 0.06 12.44 2.02 -1.26 -4.98 118.70 126.16 1z8r s GLU 106 Ca 0.21 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.32 1z8r s GLU 106 Cb -0.03 -2.26 -0.12 0.00 0.10 0.00 0.00 34.13 31.83 1z8r s GLU 106 CO 0.05 -0.53 1.42 -1.00 0.02 0.00 0.00 175.26 175.23 1z8r h PRO 107 N 8.07 0.37 0.00 0.39 0.13 -2.00 -3.48 132.00 135.48 1z8r h PRO 107 Ca -0.21 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1z8r h PRO 107 Cb 1.10 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1z8r h PRO 107 CO 0.40 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 1z8r n GLY 108 N -0.04 1.71 3.71 1.56 0.00 -1.26 -5.13 105.19 105.75 1z8r n GLY 108 Ca -0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1z8r n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z8r s ASP 109 N 0.00 6.71 -0.13 1.61 -1.08 -1.26 -5.00 116.67 117.51 1z8r s ASP 109 Ca 0.00 2.46 -0.04 0.00 -0.52 0.00 0.00 52.55 54.45 1z8r s ASP 109 Cb 0.00 -2.59 0.06 0.00 -1.46 0.00 0.00 42.92 38.94 1z8r s ASP 109 CO 0.00 -0.74 0.19 0.00 0.52 0.00 0.00 175.17 175.13 1z8r s ALA 110 N 1.23 -0.19 0.00 3.66 0.00 -1.26 -4.00 121.76 121.20 1z8r s ALA 110 Ca 0.67 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1z8r s ALA 110 Cb -0.40 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1z8r s ALA 110 CO 0.31 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1z8r n GLY 111 N 5.32 -0.06 0.00 0.00 0.00 -0.58 -5.04 105.19 104.83 1z8r n GLY 111 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1z8r n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z8r n GLY 112 N 0.00 -1.37 3.23 -0.02 0.00 -1.24 -4.43 105.19 101.37 1z8r n GLY 112 Ca 0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 1z8r n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1z8r s ILE 113 N -2.84 1.54 -0.23 -0.61 -4.36 -1.23 -1.95 121.20 111.52 1z8r s ILE 113 Ca 0.00 -1.23 -0.22 0.00 -0.26 0.00 0.00 60.65 58.93 1z8r s ILE 113 Cb 0.00 -1.36 -0.02 0.00 1.25 0.00 0.00 42.46 42.33 1z8r s ILE 113 CO 0.00 0.09 0.71 -0.22 0.24 0.00 0.00 174.94 175.76 1z8r s LEU 114 N -1.35 4.10 0.16 0.37 2.96 -0.63 -3.32 118.68 120.98 1z8r s LEU 114 Ca 0.06 0.89 0.10 0.00 -0.22 0.00 0.00 54.13 54.96 1z8r s LEU 114 Cb -0.09 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1z8r s LEU 114 CO 0.02 -0.40 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.32 1z8r s ARG 115 N 2.43 1.64 0.33 1.98 0.52 -0.97 -0.23 118.95 124.64 1z8r s ARG 115 Ca 0.31 -1.36 0.10 0.00 -0.52 0.00 0.00 55.73 54.25 1z8r s ARG 115 Cb -0.16 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.28 1z8r s ARG 115 CO 0.09 0.44 -0.08 0.00 0.02 0.00 0.00 175.30 175.77 1z8r h GLU 117 N 1.99 0.00 0.01 0.00 4.39 -1.97 -1.14 114.58 117.85 1z8r h GLU 117 Ca -0.42 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.95 1z8r h GLU 117 Cb 1.25 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1z8r h GLU 117 CO 0.68 0.00 -2.05 0.72 -1.16 0.00 0.00 179.01 177.20 1z8r n HIS 118 N -2.71 0.53 0.00 4.33 8.25 -1.26 -5.09 115.22 119.27 1z8r n HIS 118 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1z8r n HIS 118 Cb 0.12 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.13 1z8r n HIS 118 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1z8r n GLY 119 N 1.69 -0.77 3.66 -1.41 0.00 -0.43 -4.62 105.19 103.30 1z8r n GLY 119 Ca -0.26 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1z8r n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z8r s VAL 120 N -2.37 4.53 -0.04 1.61 1.01 0.13 0.90 120.40 126.17 1z8r s VAL 120 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1z8r s VAL 120 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1z8r s VAL 120 CO 0.00 0.54 -0.05 -0.38 0.00 0.00 0.00 175.10 175.21 1z8r n ILE 121 N 2.81 0.33 -0.32 2.22 2.08 0.68 -0.35 119.36 126.81 1z8r n ILE 121 Ca -0.18 0.43 0.00 0.00 0.56 0.00 0.00 62.75 63.56 1z8r n ILE 121 Cb 0.53 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 1z8r n ILE 121 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1z8r n GLY 122 N 1.64 3.72 3.21 7.39 0.00 -0.94 0.09 105.19 120.29 1z8r n GLY 122 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1z8r n GLY 122 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1z8r s LEU 123 N 0.00 2.08 -0.35 0.99 2.34 0.81 -1.60 118.68 122.94 1z8r s LEU 123 Ca 0.00 -1.16 -0.28 0.00 0.06 0.00 0.00 54.13 52.74 1z8r s LEU 123 Cb 0.00 0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.65 1z8r s LEU 123 CO 0.00 -0.60 1.78 -0.69 -1.06 0.00 0.00 176.35 175.77 1z8r s VAL 124 N -3.76 3.50 0.00 1.48 1.01 -0.82 0.94 120.40 122.74 1z8r s VAL 124 Ca 0.22 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1z8r s VAL 124 Cb 0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1z8r s VAL 124 CO 0.02 -0.47 0.00 0.41 0.00 0.00 0.00 175.10 175.07 1z8r n THR 125 N 7.38 0.00 -3.80 3.92 -1.04 0.70 -4.82 114.28 116.62 1z8r n THR 125 Ca 0.22 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.05 1z8r n THR 125 Cb 0.47 -0.28 -0.17 0.00 -1.82 0.00 0.00 70.33 68.54 1z8r n THR 125 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1z8r s MET 126 N 0.05 0.15 -0.14 -2.82 -1.94 -1.04 -4.95 119.30 108.61 1z8r s MET 126 Ca 0.00 0.19 -0.02 0.00 -1.71 0.00 0.00 55.69 54.15 1z8r s MET 126 Cb 0.00 -0.49 -0.03 0.00 2.01 0.00 0.00 34.83 36.32 1z8r s MET 126 CO 0.00 -0.22 -0.06 0.20 -0.01 0.00 0.00 175.02 174.93 1z8r s GLY 127 N 1.47 1.68 0.00 -0.03 0.00 -1.26 -0.63 107.32 108.55 1z8r s GLY 127 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1z8r s GLY 127 CO -0.03 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.51 1z8r n GLY 128 N 3.36 -1.18 0.14 0.20 0.00 0.18 -4.89 105.19 102.99 1z8r n GLY 128 Ca -0.18 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1z8r n GLY 128 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1z8r h GLU 129 N 0.00 0.00 0.00 1.61 5.08 -2.01 -3.40 114.58 115.86 1z8r h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z8r h GLU 129 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1z8r h GLU 129 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1z8r n GLY 130 N 1.17 1.00 3.56 -3.84 0.00 -1.26 -4.50 105.19 101.32 1z8r n GLY 130 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1z8r n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z8r s VAL 131 N 0.00 3.04 -0.22 1.61 1.01 -1.26 -1.91 120.40 122.67 1z8r s VAL 131 Ca 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 1z8r s VAL 131 Cb 0.00 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1z8r s VAL 131 CO 0.00 -0.27 -0.08 -0.69 0.00 0.00 0.00 175.10 174.06 1z8r s VAL 132 N -2.09 2.95 -0.15 2.92 1.01 0.71 -0.65 120.40 125.10 1z8r s VAL 132 Ca 0.28 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1z8r s VAL 132 Cb -0.07 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1z8r s VAL 132 CO 0.16 0.37 0.61 -0.83 0.00 0.00 0.00 175.10 175.41 1z8r s GLY 133 N 1.39 2.25 -0.06 4.51 0.00 0.20 -0.83 107.32 114.78 1z8r s GLY 133 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.63 1z8r s GLY 133 CO -0.06 1.16 -0.18 -1.36 0.00 0.00 0.00 173.10 172.66 1z8r s PHE 134 N 1.38 1.84 -0.54 1.90 0.08 0.31 -0.21 117.98 122.74 1z8r s PHE 134 Ca 0.30 -0.60 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 1z8r s PHE 134 Cb -0.16 -1.25 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1z8r s PHE 134 CO 0.12 -0.23 0.85 0.00 -0.10 0.00 0.00 175.22 175.86 1z8r s ALA 135 N 0.18 3.23 0.48 5.36 0.00 0.27 0.66 121.76 131.94 1z8r s ALA 135 Ca -0.08 -1.43 -0.22 0.00 0.00 0.00 0.00 51.96 50.22 1z8r s ALA 135 Cb -0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.29 1z8r s ALA 135 CO 0.04 -2.30 1.21 0.16 0.00 0.00 0.00 175.76 174.86 1z8r s ASP 136 N 2.86 5.94 0.00 0.00 1.47 -0.98 -0.13 116.67 125.82 1z8r s ASP 136 Ca 0.25 2.40 0.11 0.00 1.18 0.00 0.00 52.55 56.49 1z8r s ASP 136 Cb -0.15 -2.61 0.32 0.00 -0.34 0.00 0.00 42.92 40.14 1z8r s ASP 136 CO 0.16 -1.09 1.27 0.52 0.68 0.00 0.00 175.17 176.71 1z8r n VAL 137 N -0.66 0.47 0.74 2.11 0.31 0.11 -4.04 118.33 117.37 1z8r n VAL 137 Ca 0.08 -0.47 0.08 0.00 -0.01 0.00 0.00 64.34 64.02 1z8r n VAL 137 Cb 0.48 0.24 0.41 0.00 -0.91 0.00 0.00 33.84 34.05 1z8r n VAL 137 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1z8r n ARG 138 N 0.54 0.17 -0.44 5.55 5.12 -1.26 -1.68 116.66 124.66 1z8r n ARG 138 Ca 0.12 0.15 0.11 0.00 -1.93 0.00 0.00 57.85 56.30 1z8r n ARG 138 Cb 0.30 -1.50 0.34 0.00 -1.16 0.00 0.00 32.46 30.44 1z8r n ARG 138 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1z8r n ASP 139 N -1.35 4.18 -1.84 0.55 2.03 -1.26 -4.48 116.55 114.38 1z8r n ASP 139 Ca 0.07 -2.11 -0.01 0.00 0.52 0.00 0.00 54.79 53.27 1z8r n ASP 139 Cb 0.15 -0.52 0.03 0.00 -0.72 0.00 0.00 41.12 40.07 1z8r n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z8r n LEU 140 N 1.56 -0.41 0.24 -2.67 -0.00 -0.97 -5.00 117.00 109.74 1z8r n LEU 140 Ca 0.25 -1.58 0.16 0.00 -0.00 0.00 0.00 56.01 54.85 1z8r n LEU 140 Cb 0.69 0.77 0.86 0.00 -0.00 0.00 0.00 43.42 45.74 1z8r n LEU 140 CO 0.19 1.18 1.14 0.25 -0.00 0.00 0.00 177.39 180.15 1z8r h LEU 141 N 0.30 0.00 -8.11 1.47 7.12 -1.55 -3.41 115.31 111.14 1z8r h LEU 141 Ca -0.14 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.69 1z8r h LEU 141 Cb 1.08 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.15 1z8r h LEU 141 CO -0.06 0.00 1.18 -2.67 -0.13 0.00 0.00 178.44 176.76 1z8r n TRP 142 N -3.81 0.40 0.00 1.25 4.27 -1.26 -3.81 117.44 114.48 1z8r n TRP 142 Ca 0.00 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1z8r n TRP 142 Cb 0.25 -1.27 0.00 0.00 -1.36 0.00 0.00 31.31 28.93 1z8r n TRP 142 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1z8r n LEU 143 N 10.27 0.00 0.00 5.67 4.32 -1.26 -4.98 117.00 131.02 1z8r n LEU 143 Ca 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 1z8r n LEU 143 Cb 0.29 0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1z8r n LEU 143 CO 0.83 -0.36 0.00 -0.62 -1.22 0.00 0.00 177.39 176.02 1z8r n GLU 144 N -2.21 0.00 -1.73 3.23 -0.58 -1.25 -4.39 120.64 113.72 1z8r n GLU 144 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1z8r n GLU 144 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1z8r n GLU 144 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1z8r n ASP 145 N -1.14 3.77 -4.81 1.62 2.03 -1.26 -5.00 116.55 111.76 1z8r n ASP 145 Ca 0.00 1.11 -0.27 0.00 0.52 0.00 0.00 54.79 56.16 1z8r n ASP 145 Cb 0.00 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 38.78 1z8r n ASP 145 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1z8r s ASP 146 N 0.74 5.59 0.43 1.67 1.47 -1.26 -4.65 116.67 120.66 1z8r s ASP 146 Ca 0.69 -0.09 -0.25 0.00 1.18 0.00 0.00 52.55 54.08 1z8r s ASP 146 Cb -0.52 -1.49 -0.08 0.00 -0.34 0.00 0.00 42.92 40.49 1z8r s ASP 146 CO 0.42 0.08 1.34 0.00 0.68 0.00 0.00 175.17 177.69 1z8r s ALA 147 N -1.71 3.22 0.18 2.11 0.00 -1.25 -4.85 121.76 119.46 1z8r s ALA 147 Ca 0.31 1.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.43 1z8r s ALA 147 Cb -0.10 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1z8r s ALA 147 CO 0.24 -0.97 0.59 -1.64 0.00 0.00 0.00 175.76 173.98 1z8r s MET 148 N -2.36 4.00 0.00 0.00 -1.94 -1.26 -4.14 119.30 113.60 1z8r s MET 148 Ca 0.59 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.11 1z8r s MET 148 Cb -0.40 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1z8r s MET 148 CO 0.51 0.42 0.00 -1.91 -0.01 0.00 0.00 175.02 174.03 1z8r n GLU 149 N 0.60 0.00 0.00 2.03 2.13 -1.26 -4.98 120.64 119.15 1z8r n GLU 149 Ca -0.04 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.94 1z8r n GLU 149 Cb 0.52 -0.10 0.79 0.00 0.27 0.00 0.00 31.44 32.92 1z8r n GLU 149 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76