#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 -0.44 0.69 1.61 0.04 -1.26 -4.89 135.00 130.75 1z8r s PRO 2 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1z8r s PRO 2 Cb 0.00 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1z8r s PRO 2 CO 0.00 -3.25 0.00 0.66 0.04 0.00 0.00 177.00 174.45 1z8r n TYR 3 N -4.48 -3.28 0.00 0.56 4.01 -1.26 -5.00 117.16 107.71 1z8r n TYR 3 Ca 0.09 1.40 0.00 0.00 -0.16 0.00 0.00 57.90 59.23 1z8r n TYR 3 Cb 0.58 -2.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.08 1z8r n TYR 3 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1z8r n GLY 4 N -3.31 -1.74 0.04 2.72 0.00 -1.26 -5.06 105.19 96.58 1z8r n GLY 4 Ca 0.01 0.84 -0.06 0.00 0.00 0.00 0.00 46.02 46.81 1z8r n GLY 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1z8r n HIS 5 N 0.00 0.00 -3.15 1.61 -0.00 -1.26 -5.00 115.22 107.42 1z8r n HIS 5 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 1z8r n HIS 5 Cb 0.00 -0.37 -0.01 0.00 -0.12 0.00 0.00 29.99 29.50 1z8r n HIS 5 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1z8r s GLN 6 N -2.19 0.56 -0.41 1.57 0.74 -1.26 -5.09 119.66 113.58 1z8r s GLN 6 Ca -0.10 0.85 0.04 0.00 0.05 0.00 0.00 55.36 56.20 1z8r s GLN 6 Cb 0.03 0.45 0.17 0.00 1.10 0.00 0.00 33.01 34.76 1z8r s GLN 6 CO 0.25 -0.76 0.36 0.43 -0.55 0.00 0.00 175.29 175.02 1z8r n SER 7 N 5.43 -0.59 0.00 6.67 7.64 -1.26 -4.90 113.62 126.60 1z8r n SER 7 Ca 0.01 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1z8r n SER 7 Cb 0.52 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 2.78 0.00 3.20 0.23 0.00 -1.26 -4.36 105.19 105.79 1z8r n GLY 8 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 1z8r n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z8r s ALA 9 N 0.00 1.63 -0.32 4.61 0.00 -1.26 -4.63 121.76 121.78 1z8r s ALA 9 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1z8r s ALA 9 Cb 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1z8r s ALA 9 CO 0.00 0.40 0.10 0.08 0.00 0.00 0.00 175.76 176.34 1z8r s VAL 10 N -0.48 3.92 -0.16 0.00 1.01 0.41 -4.99 120.40 120.11 1z8r s VAL 10 Ca 0.07 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1z8r s VAL 10 Cb -0.08 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1z8r s VAL 10 CO -0.01 -0.08 -0.17 -0.72 0.00 0.00 0.00 175.10 174.13 1z8r s TYR 11 N 1.45 2.77 -0.01 5.22 1.13 -1.26 0.10 117.35 126.75 1z8r s TYR 11 Ca 0.00 -1.19 0.08 0.00 -1.41 0.00 0.00 57.07 54.55 1z8r s TYR 11 Cb -0.19 -1.89 -0.02 0.00 -1.10 0.00 0.00 41.96 38.76 1z8r s TYR 11 CO 0.03 -0.56 -0.25 0.08 -2.51 0.00 0.00 175.55 172.34 1z8r s VAL 12 N 0.94 2.20 0.00 -3.49 1.01 0.86 -3.86 120.40 118.05 1z8r s VAL 12 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1z8r s VAL 12 Cb -0.15 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1z8r s VAL 12 CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1z8r n GLY 13 N 2.28 2.84 1.11 4.51 0.00 -1.26 0.13 105.19 114.79 1z8r n GLY 13 Ca -0.16 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1z8r n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1z8r n ASN 14 N 2.10 3.11 -4.21 1.61 0.23 -1.26 -3.91 115.26 112.94 1z8r n ASN 14 Ca 0.00 -2.39 -0.22 0.00 -0.53 0.00 0.00 54.58 51.44 1z8r n ASN 14 Cb 0.00 -0.55 -0.13 0.00 -2.08 0.00 0.00 39.78 37.02 1z8r n ASN 14 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1z8r s TYR 15 N -1.81 1.51 -0.15 -2.53 2.02 0.12 -1.97 117.35 114.54 1z8r s TYR 15 Ca 0.26 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1z8r s TYR 15 Cb 0.19 -0.87 0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1z8r s TYR 15 CO 0.09 0.10 -0.01 0.21 -1.57 0.00 0.00 175.55 174.37 1z8r s LYS 16 N -1.50 0.93 -0.26 -0.62 2.20 0.17 -0.10 119.74 120.56 1z8r s LYS 16 Ca 0.03 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.23 1z8r s LYS 16 Cb -0.09 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 1z8r s LYS 16 CO 0.02 -0.47 0.15 0.14 -0.36 0.00 0.00 175.35 174.84 1z8r s VAL 17 N 1.81 5.09 0.11 4.02 -7.23 0.11 -1.71 120.40 122.59 1z8r s VAL 17 Ca 0.01 0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1z8r s VAL 17 Cb -0.15 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1z8r s VAL 17 CO -0.07 0.29 -0.03 0.54 -0.31 0.00 0.00 175.10 175.52 1z8r s VAL 18 N 1.55 0.52 0.41 1.32 0.11 -0.90 -0.44 120.40 122.96 1z8r s VAL 18 Ca 0.07 -1.91 -0.27 0.00 -2.93 0.00 0.00 61.98 56.94 1z8r s VAL 18 Cb -0.15 -1.77 -0.09 0.00 -1.53 0.00 0.00 36.38 32.83 1z8r s VAL 18 CO 0.08 -0.78 1.42 0.20 -3.33 0.00 0.00 175.10 172.69 1z8r s ASN 19 N -3.04 6.18 0.20 3.54 -0.87 -1.26 -2.24 114.94 117.44 1z8r s ASN 19 Ca 0.14 2.92 -0.10 0.00 -1.57 0.00 0.00 52.86 54.25 1z8r s ASN 19 Cb 0.06 -2.66 0.22 0.00 -0.02 0.00 0.00 41.25 38.85 1z8r s ASN 19 CO -0.04 -0.97 1.80 0.08 -2.57 0.00 0.00 177.10 175.40 1z8r h ARG 20 N 2.71 0.59 0.00 -0.60 -0.00 -0.18 0.23 114.38 117.12 1z8r h ARG 20 Ca -0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.44 1z8r h ARG 20 Cb 1.25 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 1z8r h ARG 20 CO 0.63 0.39 0.00 1.58 -0.00 0.00 0.00 179.97 182.57 1z8r n HIS 21 N -4.83 0.00 0.25 4.08 -0.00 -1.26 -2.28 115.22 111.17 1z8r n HIS 21 Ca 0.07 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.28 1z8r n HIS 21 Cb 0.18 -0.38 0.01 0.00 -0.12 0.00 0.00 29.99 29.68 1z8r n HIS 21 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1z8r n LEU 22 N -1.38 1.13 -4.69 0.27 4.77 0.53 -5.00 117.00 112.64 1z8r n LEU 22 Ca 0.05 -0.86 -0.40 0.00 -0.03 0.00 0.00 56.01 54.77 1z8r n LEU 22 Cb 0.13 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1z8r n LEU 22 CO 0.12 0.24 0.48 0.00 -1.33 0.00 0.00 177.39 176.89 1z8r s ALA 23 N -0.78 3.43 0.81 -1.18 0.00 0.33 -4.85 121.76 119.52 1z8r s ALA 23 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.94 1z8r s ALA 23 Cb 0.05 -3.07 0.08 0.00 0.00 0.00 0.00 23.12 20.18 1z8r s ALA 23 CO 0.11 -0.38 1.10 -0.08 0.00 0.00 0.00 175.76 176.51 1z8r s THR 24 N 1.48 2.97 0.53 0.00 -1.32 -1.26 -4.83 115.64 113.22 1z8r s THR 24 Ca 0.37 0.32 0.27 0.00 -1.21 0.00 0.00 61.69 61.43 1z8r s THR 24 Cb -0.17 -3.06 0.42 0.00 -1.51 0.00 0.00 72.50 68.18 1z8r s THR 24 CO 0.15 -0.41 1.97 0.45 -2.21 0.00 0.00 174.62 174.56 1z8r h HIS 25 N -1.13 0.00 -0.03 9.09 3.86 -1.99 0.19 115.15 125.14 1z8r h HIS 25 Ca -0.47 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.59 1z8r h HIS 25 Cb 1.27 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.73 1z8r h HIS 25 CO 0.45 0.00 -0.64 -0.24 0.86 0.00 0.00 177.93 178.36 1z8r h VAL 26 N 0.00 1.43 -0.33 2.45 3.04 -1.98 -0.22 116.25 120.64 1z8r h VAL 26 Ca 0.30 -2.13 -0.08 0.00 -1.01 0.00 0.00 66.70 63.78 1z8r h VAL 26 Cb 1.20 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 32.60 1z8r h VAL 26 CO -0.00 0.62 -0.10 0.44 -1.01 0.00 0.00 177.57 177.52 1z8r h ASP 27 N 0.07 0.65 0.69 3.17 3.32 -0.97 -2.53 116.42 120.83 1z8r h ASP 27 Ca -0.01 -0.38 -0.15 0.00 0.02 0.00 0.00 57.03 56.52 1z8r h ASP 27 Cb 1.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1z8r h ASP 27 CO 0.09 0.88 -0.69 -0.50 -1.72 0.00 0.00 179.24 177.30 1z8r h TRP 28 N 0.42 0.00 -0.58 4.55 4.06 -1.42 -0.28 115.95 122.70 1z8r h TRP 28 Ca 0.08 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1z8r h TRP 28 Cb 0.60 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1z8r h TRP 28 CO 0.05 0.69 0.38 0.37 -3.56 0.00 0.00 178.44 176.38 1z8r h GLN 29 N 0.00 0.76 -0.44 0.49 5.75 -0.84 -2.58 115.11 118.25 1z8r h GLN 29 Ca -0.01 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.25 1z8r h GLN 29 Cb 1.23 -0.17 -0.12 0.00 1.07 0.00 0.00 27.48 29.49 1z8r h GLN 29 CO 0.09 0.51 0.05 -1.71 -2.65 0.00 0.00 178.83 175.12 1z8r n ASN 30 N -4.68 3.01 -4.68 -0.69 2.85 -0.97 -5.00 115.26 105.10 1z8r n ASN 30 Ca 0.04 -3.60 -0.42 0.00 -0.11 0.00 0.00 54.58 50.49 1z8r n ASN 30 Cb 0.02 -0.65 -0.03 0.00 1.24 0.00 0.00 39.78 40.36 1z8r n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1z8r h VAL 32 N 5.13 0.88 -4.05 0.00 -1.51 0.69 -3.48 116.25 113.91 1z8r h VAL 32 Ca -0.34 -2.48 -0.16 0.00 -1.23 0.00 0.00 66.70 62.49 1z8r h VAL 32 Cb 1.16 2.72 -0.19 0.00 -2.13 0.00 0.00 31.29 32.84 1z8r h VAL 32 CO 0.91 0.86 -0.70 0.86 -1.23 0.00 0.00 177.57 178.28 1z8r s TRP 33 N -2.57 0.38 -0.30 5.19 -0.00 -1.04 -4.97 118.94 115.63 1z8r s TRP 33 Ca -0.17 -0.69 -0.07 0.00 -0.00 0.00 0.00 56.10 55.16 1z8r s TRP 33 Cb 0.06 -0.27 0.15 0.00 -0.00 0.00 0.00 33.47 33.40 1z8r s TRP 33 CO 0.84 -0.23 0.63 -2.00 -0.00 0.00 0.00 176.95 176.18 1z8r s GLU 34 N -2.23 0.57 -0.27 5.86 -6.30 -1.26 0.62 118.70 115.69 1z8r s GLU 34 Ca -0.08 1.32 -0.07 0.00 -2.50 0.00 0.00 54.97 53.64 1z8r s GLU 34 Cb -0.04 0.78 -0.01 0.00 0.00 0.00 0.00 34.13 34.85 1z8r s GLU 34 CO -0.04 -0.33 0.07 0.34 0.02 0.00 0.00 175.26 175.33 1z8r s ASP 35 N 2.88 5.10 0.11 -1.70 -1.08 0.53 -4.98 116.67 117.53 1z8r s ASP 35 Ca 0.02 -0.40 -0.19 0.00 -0.52 0.00 0.00 52.55 51.46 1z8r s ASP 35 Cb -0.13 -1.90 -0.06 0.00 -1.46 0.00 0.00 42.92 39.36 1z8r s ASP 35 CO -0.20 -0.10 1.66 0.22 0.52 0.00 0.00 175.17 177.28 1z8r h TYR 36 N 8.24 0.37 0.00 -5.34 5.03 -1.96 0.49 116.97 123.80 1z8r h TYR 36 Ca -0.36 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1z8r h TYR 36 Cb 1.16 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1z8r h TYR 36 CO 0.64 0.38 0.00 -0.91 -1.32 0.00 0.00 178.16 176.96 1z8r h ASN 37 N 0.26 0.00 -0.00 -2.11 4.21 -1.94 -0.67 115.58 115.33 1z8r h ASN 37 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1z8r h ASN 37 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1z8r h ASN 37 CO -0.01 0.00 -0.25 0.54 -1.29 0.00 0.00 177.43 176.42 1z8r n ARG 38 N -2.90 2.64 -3.96 0.81 3.00 -0.85 -0.26 116.66 115.13 1z8r n ARG 38 Ca -0.03 -0.43 -0.32 0.00 -0.01 0.00 0.00 57.85 57.06 1z8r n ARG 38 Cb 0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 32.46 31.49 1z8r n ARG 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1z8r n ASP 39 N -0.51 -3.72 -4.20 0.55 9.92 0.17 -4.89 116.55 113.88 1z8r n ASP 39 Ca 0.03 -0.82 -0.15 0.00 -0.53 0.00 0.00 54.79 53.33 1z8r n ASP 39 Cb 0.18 -3.03 -0.11 0.00 -0.64 0.00 0.00 41.12 37.52 1z8r n ASP 39 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1z8r s LEU 40 N -7.08 2.43 0.06 0.64 2.96 -0.97 0.58 118.68 117.29 1z8r s LEU 40 Ca 0.65 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 53.57 1z8r s LEU 40 Cb -0.35 -0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.03 1z8r s LEU 40 CO 0.81 -0.27 0.31 -1.48 -1.32 0.00 0.00 176.35 174.40 1z8r s LEU 41 N -2.59 0.86 -0.08 -0.68 -0.00 -0.95 -0.35 118.68 114.90 1z8r s LEU 41 Ca 0.08 -0.25 0.05 0.00 -0.00 0.00 0.00 54.13 54.01 1z8r s LEU 41 Cb -0.02 1.39 -0.01 0.00 -0.00 0.00 0.00 46.19 47.56 1z8r s LEU 41 CO 0.00 -0.66 -0.25 -0.69 -0.00 0.00 0.00 176.35 174.76 1z8r s VAL 42 N -2.86 2.06 0.18 1.48 1.01 0.20 -2.12 120.40 120.35 1z8r s VAL 42 Ca -0.03 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.99 1z8r s VAL 42 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1z8r s VAL 42 CO -0.05 0.57 -0.16 -0.55 0.00 0.00 0.00 175.10 174.90 1z8r s SER 43 N 0.05 2.59 -0.27 3.32 0.15 -0.69 0.12 113.70 118.97 1z8r s SER 43 Ca -0.10 -0.93 -0.13 0.00 0.70 0.00 0.00 55.95 55.48 1z8r s SER 43 Cb -0.16 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1z8r s SER 43 CO 0.06 -0.10 0.30 0.42 1.20 0.00 0.00 173.24 175.12 1z8r s THR 44 N -2.48 5.23 0.27 6.45 -4.23 -1.18 0.43 115.64 120.12 1z8r s THR 44 Ca 0.18 0.42 0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1z8r s THR 44 Cb -0.03 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1z8r s THR 44 CO 0.07 0.19 0.15 0.28 -0.54 0.00 0.00 174.62 174.77 1z8r s THR 45 N 1.95 4.02 -0.60 3.99 -1.32 -0.83 -4.98 115.64 117.87 1z8r s THR 45 Ca 0.12 -1.56 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 1z8r s THR 45 Cb -0.16 -3.21 0.43 0.00 -1.51 0.00 0.00 72.50 68.06 1z8r s THR 45 CO 0.10 -0.33 1.78 1.07 -2.21 0.00 0.00 174.62 175.03 1z8r n THR 46 N -1.12 3.29 -4.34 5.08 5.66 -1.26 -4.67 114.28 116.92 1z8r n THR 46 Ca -0.07 -3.61 -0.17 0.00 -3.05 0.00 0.00 64.05 57.15 1z8r n THR 46 Cb 0.59 -1.18 -0.10 0.00 -1.55 0.00 0.00 70.33 68.08 1z8r n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1z8r s ALA 47 N -3.80 1.83 0.34 1.79 0.00 -1.26 -5.14 121.76 115.52 1z8r s ALA 47 Ca 0.58 -1.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 1z8r s ALA 47 Cb 0.47 0.98 -0.09 0.00 0.00 0.00 0.00 23.12 24.47 1z8r s ALA 47 CO -0.08 -0.43 1.02 -3.38 0.00 0.00 0.00 175.76 172.88 1z8r s HIS 48 N -3.68 3.53 -0.07 0.00 0.00 -1.26 -4.61 115.29 109.20 1z8r s HIS 48 Ca 0.38 1.72 -0.26 0.00 -3.00 0.00 0.00 55.06 53.90 1z8r s HIS 48 Cb 0.08 -3.08 -0.03 0.00 -4.00 0.00 0.00 32.58 25.55 1z8r s HIS 48 CO 0.14 -0.25 0.83 0.20 -1.00 0.00 0.00 174.74 174.66 1z8r s GLY 49 N -1.42 2.58 -0.36 -1.38 0.00 -1.25 -4.89 107.32 100.61 1z8r s GLY 49 Ca 0.51 0.25 0.07 0.00 0.00 0.00 0.00 44.72 45.56 1z8r s GLY 49 CO 0.29 1.49 1.70 0.00 0.00 0.00 0.00 173.10 176.58 1z8r s ASP 51 N -1.78 -0.56 -0.22 0.00 1.01 -1.25 -5.04 116.67 108.83 1z8r s ASP 51 Ca 0.51 0.98 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1z8r s ASP 51 Cb 0.44 0.91 0.03 0.00 1.01 0.00 0.00 42.92 45.30 1z8r s ASP 51 CO 0.07 -0.19 -0.12 -0.89 0.21 0.00 0.00 175.17 174.25 1z8r s THR 52 N 1.02 2.48 0.28 -1.27 2.01 -1.26 -4.45 115.64 114.45 1z8r s THR 52 Ca -0.06 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 1z8r s THR 52 Cb -0.06 -2.21 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 1z8r s THR 52 CO -0.09 0.30 1.14 -0.63 -0.69 0.00 0.00 174.62 174.66 1z8r s ILE 53 N 1.28 3.35 -0.15 1.82 -1.09 -1.26 -0.69 121.20 124.46 1z8r s ILE 53 Ca 0.01 1.35 -0.18 0.00 -2.23 0.00 0.00 60.65 59.59 1z8r s ILE 53 Cb -0.16 -3.86 -0.15 0.00 -1.58 0.00 0.00 42.46 36.71 1z8r s ILE 53 CO -0.08 0.32 0.33 0.00 -1.23 0.00 0.00 174.94 174.28 1z8r h ALA 54 N 3.82 0.07 -3.82 9.38 0.00 -1.39 -3.37 119.26 123.94 1z8r h ALA 54 Ca -0.47 -0.57 -0.33 0.00 0.00 0.00 0.00 54.91 53.54 1z8r h ALA 54 Cb 1.21 0.25 0.06 0.00 0.00 0.00 0.00 17.79 19.31 1z8r h ALA 54 CO 0.67 0.24 -0.50 -2.13 0.00 0.00 0.00 179.25 177.53 1z8r n ARG 55 N -4.60 -4.21 -3.89 0.00 0.63 -1.24 0.11 116.66 103.44 1z8r n ARG 55 Ca -0.13 0.74 -0.33 0.00 -0.92 0.00 0.00 57.85 57.21 1z8r n ARG 55 Cb 0.39 -5.27 -0.05 0.00 0.45 0.00 0.00 32.46 27.99 1z8r n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1z8r n GLN 57 N 0.84 3.19 -2.37 0.00 1.13 -1.26 -4.95 117.38 113.97 1z8r n GLN 57 Ca -0.10 -2.51 -0.27 0.00 -1.94 0.00 0.00 57.00 52.18 1z8r n GLN 57 Cb 0.52 -2.34 0.03 0.00 0.11 0.00 0.00 30.24 28.56 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 -2.60 0.00 -4.29 0.00 -1.04 -1.26 -4.96 114.28 100.12 1z8r n THR 59 Ca 0.05 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 1z8r n THR 59 Cb 0.58 0.31 -0.17 0.00 -1.82 0.00 0.00 70.33 69.23 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 -2.66 1.39 0.16 12.58 -4.23 -1.26 -1.69 115.64 119.93 1z8r s THR 60 Ca -0.03 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1z8r s THR 60 Cb 0.07 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 1z8r s THR 60 CO 0.42 0.42 0.05 -0.83 -0.54 0.00 0.00 174.62 174.15 1z8r s GLY 61 N 1.17 1.16 -0.18 3.99 0.00 -0.11 -4.85 107.32 108.49 1z8r s GLY 61 Ca -0.03 -1.56 -0.08 0.00 0.00 0.00 0.00 44.72 43.05 1z8r s GLY 61 CO -0.04 -1.43 0.08 0.54 0.00 0.00 0.00 173.10 172.26 1z8r s VAL 62 N -3.94 4.99 -0.09 1.40 0.11 -0.73 0.61 120.40 122.74 1z8r s VAL 62 Ca 0.27 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1z8r s VAL 62 Cb 0.07 -3.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.64 1z8r s VAL 62 CO 0.04 0.47 0.01 -0.72 -3.33 0.00 0.00 175.10 171.57 1z8r s TYR 63 N 0.25 3.18 0.01 1.54 -0.85 0.40 -2.07 117.35 119.81 1z8r s TYR 63 Ca 0.05 0.19 -0.30 0.00 -0.52 0.00 0.00 57.07 56.49 1z8r s TYR 63 Cb -0.12 -1.81 -0.06 0.00 0.38 0.00 0.00 41.96 40.35 1z8r s TYR 63 CO -0.00 0.46 1.57 0.12 -1.52 0.00 0.00 175.55 176.17 1z8r s PHE 64 N -0.82 2.44 0.05 -3.49 2.19 -1.23 -2.26 117.98 114.85 1z8r s PHE 64 Ca 0.13 0.45 -0.23 0.00 0.33 0.00 0.00 56.93 57.61 1z8r s PHE 64 Cb -0.11 -3.85 -0.06 0.00 -1.31 0.00 0.00 43.02 37.69 1z8r s PHE 64 CO 0.02 -3.38 0.68 0.00 1.83 0.00 0.00 175.22 174.38 1z8r h ALA 66 N 5.36 0.34 0.00 0.00 0.00 -1.82 -3.06 119.26 120.09 1z8r h ALA 66 Ca -0.45 -1.13 -0.20 0.00 0.00 0.00 0.00 54.91 53.12 1z8r h ALA 66 Cb 1.20 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1z8r h ALA 66 CO 0.69 1.21 -1.36 0.43 0.00 0.00 0.00 179.25 180.22 1z8r n SER 67 N -3.39 1.88 0.30 0.00 7.64 -1.15 -4.28 113.62 114.61 1z8r n SER 67 Ca -0.14 0.44 0.15 0.00 1.01 0.00 0.00 58.87 60.32 1z8r n SER 67 Cb 1.03 -0.88 0.90 0.00 -1.01 0.00 0.00 64.21 64.25 1z8r n SER 67 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1z8r h LYS 68 N -1.00 0.00 -1.60 1.43 1.79 -1.86 -3.45 116.57 111.89 1z8r h LYS 68 Ca -0.31 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 57.76 1z8r h LYS 68 Cb 1.15 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.68 1z8r h LYS 68 CO -0.19 0.00 -0.41 0.43 -1.08 0.00 0.00 179.45 178.21 1z8r n SER 69 N -3.90 -5.37 -4.34 0.86 7.64 -1.15 -4.94 113.62 102.42 1z8r n SER 69 Ca -0.03 0.36 -0.17 0.00 1.01 0.00 0.00 58.87 60.04 1z8r n SER 69 Cb 0.08 -4.68 -0.10 0.00 -1.01 0.00 0.00 64.21 58.50 1z8r n SER 69 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1z8r s LYS 70 N -4.05 1.45 -0.25 1.43 1.02 -1.26 -4.94 119.74 113.14 1z8r s LYS 70 Ca 0.00 -1.79 -0.25 0.00 0.02 0.00 0.00 55.97 53.95 1z8r s LYS 70 Cb 0.00 -0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1z8r s LYS 70 CO 0.00 -0.27 0.86 -1.01 -0.92 0.00 0.00 175.35 174.01 1z8r s HIS 71 N -3.65 3.30 -0.31 3.18 3.76 -1.26 -2.25 115.29 118.06 1z8r s HIS 71 Ca 0.37 1.16 -0.07 0.00 -0.15 0.00 0.00 55.06 56.37 1z8r s HIS 71 Cb 0.08 -3.10 0.01 0.00 1.11 0.00 0.00 32.58 30.68 1z8r s HIS 71 CO 0.14 -0.43 0.10 0.71 -0.85 0.00 0.00 174.74 174.41 1z8r s TYR 72 N 2.91 3.17 -0.17 1.40 1.51 -0.96 -4.95 117.35 120.27 1z8r s TYR 72 Ca 0.36 -0.99 -0.29 0.00 -1.01 0.00 0.00 57.07 55.14 1z8r s TYR 72 Cb -0.15 -2.28 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1z8r s TYR 72 CO 0.08 -0.59 1.17 -2.14 -1.11 0.00 0.00 175.55 172.96 1z8r s PRO 73 N 1.50 4.26 0.01 -1.71 0.02 -1.26 -0.45 135.00 137.37 1z8r s PRO 73 Ca 0.02 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1z8r s PRO 73 Cb -0.18 -3.69 -0.01 0.00 0.02 0.00 0.00 34.50 30.64 1z8r s PRO 73 CO 0.03 -0.64 -0.02 0.08 -0.33 0.00 0.00 177.00 176.13 1z8r s VAL 74 N 3.20 0.08 -0.05 3.83 1.01 0.20 -4.93 120.40 123.74 1z8r s VAL 74 Ca 0.51 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1z8r s VAL 74 Cb -0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1z8r s VAL 74 CO 0.13 -0.29 0.47 -0.44 0.00 0.00 0.00 175.10 174.97 1z8r s SER 75 N -0.85 6.78 0.20 3.32 0.01 -1.26 -0.93 113.70 120.96 1z8r s SER 75 Ca -0.09 0.93 -0.05 0.00 1.31 0.00 0.00 55.95 58.05 1z8r s SER 75 Cb -0.06 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1z8r s SER 75 CO -0.01 0.14 0.22 0.72 0.41 0.00 0.00 173.24 174.73 1z8r s PHE 76 N -0.17 0.88 0.25 2.43 -0.12 -0.68 -4.21 117.98 116.36 1z8r s PHE 76 Ca 0.26 -1.16 0.09 0.00 -0.05 0.00 0.00 56.93 56.07 1z8r s PHE 76 Cb -0.16 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 1z8r s PHE 76 CO 0.13 -0.72 0.02 -1.21 -0.05 0.00 0.00 175.22 173.38 1z8r s GLU 77 N -4.10 2.38 -0.84 1.99 2.02 -0.99 -4.74 118.70 114.42 1z8r s GLU 77 Ca 0.32 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 53.99 1z8r s GLU 77 Cb 0.05 -2.23 0.26 0.00 0.10 0.00 0.00 34.13 32.31 1z8r s GLU 77 CO 0.09 0.38 0.99 0.41 0.02 0.00 0.00 175.26 177.16 1z8r n GLY 78 N -0.83 4.78 3.76 -1.39 0.00 -1.26 -2.14 105.19 108.11 1z8r n GLY 78 Ca -0.07 -2.70 -0.41 0.00 0.00 0.00 0.00 46.02 42.84 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 -2.35 4.34 0.03 1.61 0.02 -1.12 -4.88 135.00 132.66 1z8r s PRO 79 Ca 0.34 2.21 -0.31 0.00 0.02 0.00 0.00 61.00 63.27 1z8r s PRO 79 Cb 0.07 -3.09 -0.17 0.00 0.02 0.00 0.00 34.50 31.33 1z8r s PRO 79 CO 0.00 -0.23 1.28 0.78 -0.33 0.00 0.00 177.00 178.50 1z8r h GLY 80 N 3.87 -1.16 -6.08 0.52 0.00 -1.94 -2.71 103.07 95.56 1z8r h GLY 80 Ca -0.48 0.43 -0.67 0.00 0.00 0.00 0.00 47.33 46.61 1z8r h GLY 80 CO 0.69 -0.42 -0.86 -2.27 0.00 0.00 0.00 176.54 173.68 1z8r s LEU 81 N -9.72 2.12 -0.09 3.11 1.98 -1.26 0.14 118.68 114.95 1z8r s LEU 81 Ca -0.16 -0.65 0.02 0.00 -2.89 0.00 0.00 54.13 50.45 1z8r s LEU 81 Cb 0.02 -1.47 0.01 0.00 0.66 0.00 0.00 46.19 45.41 1z8r s LEU 81 CO 0.49 -0.00 -0.16 -0.69 -1.89 0.00 0.00 176.35 174.09 1z8r s VAL 82 N 1.30 1.51 -0.43 1.68 1.01 -0.32 -4.98 120.40 120.16 1z8r s VAL 82 Ca 0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1z8r s VAL 82 Cb -0.13 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1z8r s VAL 82 CO -0.13 0.44 1.60 -1.61 0.00 0.00 0.00 175.10 175.40 1z8r s GLU 83 N 0.77 3.33 -0.27 2.72 2.02 -1.26 -1.69 118.70 124.31 1z8r s GLU 83 Ca -0.11 0.98 -0.29 0.00 0.02 0.00 0.00 54.97 55.57 1z8r s GLU 83 Cb -0.16 -4.15 -0.01 0.00 0.10 0.00 0.00 34.13 29.91 1z8r s GLU 83 CO 0.02 -1.88 1.46 0.54 0.02 0.00 0.00 175.26 175.43 1z8r s VAL 84 N 6.50 3.91 0.55 2.63 0.11 0.12 -4.93 120.40 129.28 1z8r s VAL 84 Ca 0.67 1.02 -0.19 0.00 -2.93 0.00 0.00 61.98 60.54 1z8r s VAL 84 Cb -0.16 -3.95 -0.06 0.00 -1.53 0.00 0.00 36.38 30.69 1z8r s VAL 84 CO 0.30 -0.41 1.13 -1.58 -3.33 0.00 0.00 175.10 171.21 1z8r s GLN 85 N 4.49 3.35 -0.55 1.54 0.74 -1.26 -1.50 119.66 126.47 1z8r s GLN 85 Ca 0.64 1.60 -0.27 0.00 0.05 0.00 0.00 55.36 57.38 1z8r s GLN 85 Cb -0.20 -2.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.87 1z8r s GLN 85 CO 0.27 -0.85 1.93 -1.83 -0.55 0.00 0.00 175.29 174.26 1z8r s GLU 86 N -3.31 2.66 0.12 1.67 -1.05 -1.25 -4.55 118.70 112.99 1z8r s GLU 86 Ca 0.72 0.86 -0.06 0.00 -0.15 0.00 0.00 54.97 56.35 1z8r s GLU 86 Cb -0.24 -4.39 -0.02 0.00 -0.44 0.00 0.00 34.13 29.05 1z8r s GLU 86 CO 0.27 -2.68 0.16 -1.12 0.95 0.00 0.00 175.26 172.84 1z8r s SER 87 N 8.41 0.19 0.00 0.83 0.01 -0.80 -4.90 113.70 117.44 1z8r s SER 87 Ca 0.74 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1z8r s SER 87 Cb -0.15 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1z8r s SER 87 CO 0.24 -0.77 0.00 1.21 0.41 0.00 0.00 173.24 174.32 1z8r n GLU 88 N -0.10 0.00 -0.60 12.44 2.13 -1.26 -0.35 120.64 132.90 1z8r n GLU 88 Ca -0.09 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.72 1z8r n GLU 88 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.33 1z8r n GLU 88 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1z8r n TYR 89 N 0.00 0.00 -4.58 4.31 0.18 -1.26 -5.10 117.16 110.71 1z8r n TYR 89 Ca 0.00 -0.07 -0.33 0.00 1.88 0.00 0.00 57.90 59.38 1z8r n TYR 89 Cb 0.00 0.15 -0.15 0.00 -0.38 0.00 0.00 39.34 38.96 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 2.77 0.47 -3.48 6.14 0.53 -5.12 117.35 118.66 1z8r s TYR 90 Ca 0.02 -1.03 -0.21 0.00 0.64 0.00 0.00 57.07 56.48 1z8r s TYR 90 Cb 0.02 -1.87 -0.08 0.00 0.42 0.00 0.00 41.96 40.45 1z8r s TYR 90 CO -0.01 -0.46 1.07 -1.25 0.64 0.00 0.00 175.55 175.54 1z8r s PRO 91 N 0.76 3.81 -0.79 4.97 0.04 -1.26 -1.91 135.00 140.62 1z8r s PRO 91 Ca -0.06 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 1z8r s PRO 91 Cb -0.15 -2.23 -0.18 0.00 0.04 0.00 0.00 34.50 31.98 1z8r s PRO 91 CO 0.01 -0.45 2.03 1.17 0.04 0.00 0.00 177.00 179.80 1z8r n LYS 92 N -0.74 0.21 -3.18 4.56 3.00 -1.25 -4.58 118.16 116.17 1z8r n LYS 92 Ca 0.08 -0.85 -0.14 0.00 -0.00 0.00 0.00 58.31 57.41 1z8r n LYS 92 Cb 0.51 -2.87 -0.03 0.00 0.00 0.00 0.00 35.03 32.64 1z8r n LYS 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1z8r n ARG 93 N 7.30 1.18 -3.79 1.64 1.74 -0.56 -4.91 116.66 119.25 1z8r n ARG 93 Ca 0.41 -1.66 -0.35 0.00 -0.77 0.00 0.00 57.85 55.48 1z8r n ARG 93 Cb 0.41 0.61 -0.08 0.00 -1.02 0.00 0.00 32.46 32.38 1z8r n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1z8r s TYR 94 N -2.00 3.44 -0.13 -1.55 1.51 -1.26 0.12 117.35 117.49 1z8r s TYR 94 Ca 0.04 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 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 0.39 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.58 1z8r s GLN 95 N 0.01 2.15 0.36 -0.62 2.00 -0.68 -4.74 119.66 118.14 1z8r s GLN 95 Ca 0.09 -0.52 -0.03 0.00 -2.00 0.00 0.00 55.36 52.91 1z8r s GLN 95 Cb -0.11 -1.93 -0.04 0.00 0.80 0.00 0.00 33.01 31.73 1z8r s GLN 95 CO -0.00 -0.16 0.61 0.45 -0.50 0.00 0.00 175.29 175.68 1z8r s SER 96 N 1.28 6.34 -1.10 6.67 0.15 0.64 -1.17 113.70 126.51 1z8r s SER 96 Ca -0.00 0.65 -0.18 0.00 0.70 0.00 0.00 55.95 57.12 1z8r s SER 96 Cb -0.14 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1z8r s SER 96 CO -0.06 -0.33 0.81 1.41 1.20 0.00 0.00 173.24 176.27 1z8r n HIS 97 N -1.62 -2.03 -4.99 3.44 -0.00 0.36 -4.46 115.22 105.92 1z8r n HIS 97 Ca -0.03 0.54 -0.28 0.00 -0.00 0.00 0.00 57.72 57.96 1z8r n HIS 97 Cb 0.55 -3.54 -0.16 0.00 -0.00 0.00 0.00 29.99 26.85 1z8r n HIS 97 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1z8r s VAL 98 N -3.42 1.64 0.05 1.59 0.11 -1.02 -2.24 120.40 117.10 1z8r s VAL 98 Ca 0.45 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1z8r s VAL 98 Cb -0.15 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1z8r s VAL 98 CO 0.84 0.46 0.16 -0.76 -3.33 0.00 0.00 175.10 172.47 1z8r s LEU 99 N -0.15 4.16 -0.03 2.54 1.02 0.26 -2.79 118.68 123.68 1z8r s LEU 99 Ca -0.01 0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.35 1z8r s LEU 99 Cb -0.11 -2.71 0.01 0.00 0.02 0.00 0.00 46.19 43.40 1z8r s LEU 99 CO 0.02 0.19 -0.07 -0.76 0.02 0.00 0.00 176.35 175.75 1z8r s LEU 100 N -2.32 1.66 -0.14 1.79 1.43 -0.91 0.51 118.68 120.71 1z8r s LEU 100 Ca 0.31 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1z8r s LEU 100 Cb -0.13 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1z8r s LEU 100 CO 0.24 0.03 -0.12 0.00 0.23 0.00 0.00 176.35 176.72 1z8r s ALA 101 N 0.40 1.72 -0.42 4.21 0.00 0.12 -2.33 121.76 125.45 1z8r s ALA 101 Ca -0.06 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1z8r s ALA 101 Cb -0.10 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1z8r s ALA 101 CO 0.00 -0.42 0.86 -0.08 0.00 0.00 0.00 175.76 176.13 1z8r s THR 102 N 1.54 4.59 0.00 0.00 -1.32 -1.26 0.17 115.64 119.36 1z8r s THR 102 Ca 0.05 0.78 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 1z8r s THR 102 Cb -0.13 -4.34 0.00 0.00 -1.51 0.00 0.00 72.50 66.52 1z8r s THR 102 CO -0.10 -0.67 0.00 0.61 -2.21 0.00 0.00 174.62 172.25 1z8r n GLY 103 N 4.77 0.63 3.35 6.08 0.00 -0.63 -4.89 105.19 114.50 1z8r n GLY 103 Ca 0.05 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1z8r n GLY 103 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z8r s PHE 104 N 0.00 -0.57 0.22 1.61 2.19 -1.26 -5.02 117.98 115.15 1z8r s PHE 104 Ca 0.00 1.31 0.00 0.00 0.33 0.00 0.00 56.93 58.57 1z8r s PHE 104 Cb 0.00 0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.94 1z8r s PHE 104 CO 0.00 -0.29 0.00 0.43 1.83 0.00 0.00 175.22 177.19 1z8r n SER 105 N 3.35 -7.34 -4.58 6.13 7.64 -1.26 -4.53 113.62 113.03 1z8r n SER 105 Ca -0.17 1.03 -0.44 0.00 1.01 0.00 0.00 58.87 60.31 1z8r n SER 105 Cb 0.56 -2.90 -0.04 0.00 -1.01 0.00 0.00 64.21 60.83 1z8r n SER 105 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1z8r n GLU 106 N -3.41 1.82 0.00 1.43 1.02 -1.26 -4.88 120.64 115.37 1z8r n GLU 106 Ca 0.01 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1z8r n GLU 106 Cb 0.44 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 1z8r n GLU 106 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1z8r n PRO 107 N 8.72 -0.56 -1.92 3.49 -0.04 -1.26 -5.05 135.00 138.38 1z8r n PRO 107 Ca 0.32 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1z8r n PRO 107 Cb 0.43 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1z8r n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1z8r n GLY 108 N 2.53 0.38 3.94 0.55 0.00 -1.26 -5.11 105.19 106.20 1z8r n GLY 108 Ca 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.52 6.35 -0.19 1.61 2.15 -1.26 -2.92 116.67 121.89 1z8r s ASP 109 Ca 0.04 0.21 0.07 0.00 0.43 0.00 0.00 52.55 53.30 1z8r s ASP 109 Cb 0.19 -1.93 0.23 0.00 -0.30 0.00 0.00 42.92 41.11 1z8r s ASP 109 CO -0.05 0.08 1.09 0.00 -0.17 0.00 0.00 175.17 176.12 1z8r n ALA 110 N -0.33 0.80 0.00 3.66 0.00 -1.26 -4.99 120.51 118.39 1z8r n ALA 110 Ca -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1z8r n ALA 110 Cb 0.53 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1z8r n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z8r n GLY 111 N -0.88 3.03 0.00 0.00 0.00 -1.26 -5.06 105.19 101.01 1z8r n GLY 111 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.41 -0.30 3.24 -0.02 0.00 -1.26 -4.61 105.19 100.82 1z8r n GLY 112 Ca 0.00 -2.27 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.71 1.56 -0.33 -0.61 -4.36 -1.26 -0.34 121.20 115.14 1z8r s ILE 113 Ca 0.00 -1.25 -0.23 0.00 -0.26 0.00 0.00 60.65 58.91 1z8r s ILE 113 Cb 0.00 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 42.33 1z8r s ILE 113 CO 0.00 0.09 0.78 -0.22 0.24 0.00 0.00 174.94 175.82 1z8r s LEU 114 N -1.37 4.11 0.06 0.37 2.96 0.05 -3.53 118.68 121.33 1z8r s LEU 114 Ca 0.06 0.50 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1z8r s LEU 114 Cb -0.09 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 1z8r s LEU 114 CO 0.02 -0.66 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.04 1z8r s ARG 115 N 3.00 1.85 0.33 1.98 0.52 -0.88 -0.07 118.95 125.69 1z8r s ARG 115 Ca 0.31 -1.10 0.08 0.00 -0.52 0.00 0.00 55.73 54.51 1z8r s ARG 115 Cb -0.14 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 1z8r s ARG 115 CO 0.15 0.51 0.13 0.00 0.02 0.00 0.00 175.30 176.10 1z8r h GLU 117 N 1.58 0.00 0.07 0.00 4.39 -1.96 -0.46 114.58 118.20 1z8r h GLU 117 Ca -0.44 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 58.92 1z8r h GLU 117 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 1z8r h GLU 117 CO 0.63 0.00 -1.95 0.72 -1.16 0.00 0.00 179.01 177.25 1z8r n HIS 118 N -2.76 1.03 0.00 4.33 8.25 -1.26 -5.09 115.22 119.73 1z8r n HIS 118 Ca -0.02 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1z8r n HIS 118 Cb 0.25 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.20 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 1.85 -0.93 3.81 -1.41 0.00 -0.18 -4.54 105.19 103.78 1z8r n GLY 119 Ca -0.28 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.96 5.36 -0.05 1.61 1.01 0.13 0.10 120.40 124.60 1z8r s VAL 120 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1z8r s VAL 120 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1z8r s VAL 120 CO 0.00 0.52 -0.10 -0.38 0.00 0.00 0.00 175.10 175.14 1z8r n ILE 121 N 2.62 0.46 -3.01 2.22 2.08 0.90 -1.23 119.36 123.39 1z8r n ILE 121 Ca -0.16 0.37 0.00 0.00 0.56 0.00 0.00 62.75 63.52 1z8r n ILE 121 Cb 0.53 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 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 1.63 3.30 3.53 7.39 0.00 -0.96 0.13 105.19 120.21 1z8r n GLY 122 Ca -0.04 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 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 2.71 -0.11 0.99 2.34 0.75 -0.77 118.68 124.58 1z8r s LEU 123 Ca 0.00 -1.17 -0.29 0.00 0.06 0.00 0.00 54.13 52.73 1z8r s LEU 123 Cb 0.00 -1.01 -0.06 0.00 -0.56 0.00 0.00 46.19 44.56 1z8r s LEU 123 CO 0.00 -0.17 2.01 0.54 -1.06 0.00 0.00 176.35 177.67 1z8r s VAL 124 N -2.60 3.14 0.00 1.48 0.11 0.54 0.72 120.40 123.79 1z8r s VAL 124 Ca 0.32 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1z8r s VAL 124 Cb 0.01 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1z8r s VAL 124 CO 0.16 -0.06 0.00 0.41 -3.33 0.00 0.00 175.10 172.29 1z8r n THR 125 N 6.60 0.00 -4.09 5.04 -1.04 0.31 -4.78 114.28 116.31 1z8r n THR 125 Ca 0.24 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.02 1z8r n THR 125 Cb 0.43 -0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 68.66 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 0.32 2.98 -0.22 -2.82 -1.94 -0.91 -4.96 119.30 111.76 1z8r s MET 126 Ca 0.00 -0.98 -0.03 0.00 -1.71 0.00 0.00 55.69 52.97 1z8r s MET 126 Cb 0.00 -2.62 0.07 0.00 2.01 0.00 0.00 34.83 34.29 1z8r s MET 126 CO 0.00 0.42 0.07 0.20 -0.01 0.00 0.00 175.02 175.70 1z8r s GLY 127 N -3.68 0.68 0.88 -0.03 0.00 -1.26 0.12 107.32 104.02 1z8r s GLY 127 Ca 0.33 -0.85 -0.15 0.00 0.00 0.00 0.00 44.72 44.05 1z8r s GLY 127 CO 0.25 1.60 1.16 0.61 0.00 0.00 0.00 173.10 176.71 1z8r n GLY 128 N 5.08 -1.56 0.25 0.20 0.00 -0.64 -4.95 105.19 103.57 1z8r n GLY 128 Ca -0.07 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 -3.33 114.58 115.93 1z8r h GLU 129 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1z8r h GLU 129 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1z8r h GLU 129 CO 0.26 0.00 -0.17 0.41 -1.00 0.00 0.00 179.01 178.51 1z8r n GLY 130 N 0.22 0.29 3.13 -3.84 0.00 -1.26 -4.17 105.19 99.56 1z8r n GLY 130 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.57 -0.24 1.61 1.01 -1.25 -1.60 120.40 120.49 1z8r s VAL 131 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 61.98 60.25 1z8r s VAL 131 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1z8r s VAL 131 CO 0.00 -0.78 -0.04 -0.69 0.00 0.00 0.00 175.10 173.60 1z8r s VAL 132 N -3.11 3.28 -0.29 2.92 1.01 0.44 -1.62 120.40 123.02 1z8r s VAL 132 Ca 0.05 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1z8r s VAL 132 Cb 0.02 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1z8r s VAL 132 CO -0.04 0.32 0.33 -0.83 0.00 0.00 0.00 175.10 174.88 1z8r s GLY 133 N 1.43 1.89 0.03 4.51 0.00 0.31 -0.70 107.32 114.80 1z8r s GLY 133 Ca 0.04 -0.95 0.07 0.00 0.00 0.00 0.00 44.72 43.87 1z8r s GLY 133 CO -0.03 0.92 -0.20 -1.36 0.00 0.00 0.00 173.10 172.43 1z8r s PHE 134 N 2.00 1.75 -0.41 1.90 0.08 0.18 -0.53 117.98 122.94 1z8r s PHE 134 Ca 0.13 -0.36 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 1z8r s PHE 134 Cb -0.16 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1z8r s PHE 134 CO 0.11 0.07 0.55 0.00 -0.10 0.00 0.00 175.22 175.84 1z8r s ALA 135 N -0.74 3.40 0.38 5.36 0.00 0.22 0.92 121.76 131.30 1z8r s ALA 135 Ca 0.07 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 1z8r s ALA 135 Cb -0.08 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1z8r s ALA 135 CO 0.01 -1.61 1.27 0.34 0.00 0.00 0.00 175.76 175.78 1z8r s ASP 136 N 1.89 6.52 -0.03 0.00 -1.08 -0.95 -0.18 116.67 122.84 1z8r s ASP 136 Ca 0.18 2.59 0.11 0.00 -0.52 0.00 0.00 52.55 54.92 1z8r s ASP 136 Cb -0.15 -2.64 0.36 0.00 -1.46 0.00 0.00 42.92 39.03 1z8r s ASP 136 CO 0.16 -0.70 1.25 0.52 0.52 0.00 0.00 175.17 176.92 1z8r n VAL 137 N 0.36 0.72 0.75 1.11 0.31 0.12 -4.08 118.33 117.62 1z8r n VAL 137 Ca 0.02 -0.56 0.08 0.00 -0.01 0.00 0.00 64.34 63.88 1z8r n VAL 137 Cb 0.44 0.11 0.42 0.00 -0.91 0.00 0.00 33.84 33.89 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 0.55 0.18 -0.23 5.55 5.12 -1.26 -1.36 116.66 125.21 1z8r n ARG 138 Ca 0.13 0.15 0.10 0.00 -1.93 0.00 0.00 57.85 56.30 1z8r n ARG 138 Cb 0.42 -1.50 0.27 0.00 -1.16 0.00 0.00 32.46 30.49 1z8r n ARG 138 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1z8r n ASP 139 N -1.35 3.02 -1.26 0.55 5.75 -1.26 -4.40 116.55 117.61 1z8r n ASP 139 Ca 0.07 -1.95 -0.02 0.00 -0.01 0.00 0.00 54.79 52.88 1z8r n ASP 139 Cb 0.16 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 39.95 1z8r n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1z8r n LEU 140 N 1.17 -0.49 0.16 -2.12 -0.00 -0.97 -4.98 117.00 109.77 1z8r n LEU 140 Ca 0.19 -1.29 0.10 0.00 -0.00 0.00 0.00 56.01 55.01 1z8r n LEU 140 Cb 0.51 0.27 0.52 0.00 -0.00 0.00 0.00 43.42 44.72 1z8r n LEU 140 CO 0.14 1.08 0.82 -0.11 -0.00 0.00 0.00 177.39 179.32 1z8r n LEU 141 N -0.28 0.50 -4.31 1.47 -0.00 -0.47 -4.38 117.00 109.53 1z8r n LEU 141 Ca -0.10 0.70 -0.23 0.00 -0.00 0.00 0.00 56.01 56.38 1z8r n LEU 141 Cb 0.53 -0.74 -0.11 0.00 -0.00 0.00 0.00 43.42 43.10 1z8r n LEU 141 CO -0.06 -0.87 1.24 -2.67 -0.00 0.00 0.00 177.39 175.02 1z8r n TRP 142 N -2.20 0.94 0.04 1.96 4.27 -1.26 -3.87 117.44 117.32 1z8r n TRP 142 Ca -0.01 -0.44 0.00 0.00 -3.89 0.00 0.00 57.50 53.16 1z8r n TRP 142 Cb 0.12 -2.18 0.00 0.00 -1.36 0.00 0.00 31.31 27.89 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 16.64 0.01 0.00 5.67 4.32 -1.26 -5.02 117.00 137.36 1z8r n LEU 143 Ca 0.43 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1z8r n LEU 143 Cb 0.46 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1z8r n LEU 143 CO 0.75 -0.51 0.00 1.21 -1.22 0.00 0.00 177.39 177.62 1z8r n GLU 144 N -2.83 0.00 -2.16 3.23 4.07 -1.25 -4.65 120.64 117.04 1z8r n GLU 144 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 1z8r n GLU 144 Cb 0.07 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.44 1z8r n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1z8r s ASP 145 N 0.49 6.16 0.15 4.31 1.11 -1.26 -5.03 116.67 122.60 1z8r s ASP 145 Ca 0.00 2.44 0.04 0.00 0.18 0.00 0.00 52.55 55.22 1z8r s ASP 145 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1z8r s ASP 145 CO 0.00 -0.94 0.14 1.51 1.18 0.00 0.00 175.17 177.07 1z8r s ASP 146 N -1.14 5.61 -0.19 0.27 1.47 -1.26 -4.61 116.67 116.82 1z8r s ASP 146 Ca 0.62 -0.08 -0.29 0.00 1.18 0.00 0.00 52.55 53.98 1z8r s ASP 146 Cb -0.32 -1.50 0.00 0.00 -0.34 0.00 0.00 42.92 40.76 1z8r s ASP 146 CO 0.40 0.08 1.09 0.00 0.68 0.00 0.00 175.17 177.42 1z8r s ALA 147 N -1.69 3.63 -0.25 2.11 0.00 0.29 -4.92 121.76 120.93 1z8r s ALA 147 Ca 0.31 0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.65 1z8r s ALA 147 Cb -0.10 -3.54 0.45 0.00 0.00 0.00 0.00 23.12 19.92 1z8r s ALA 147 CO 0.24 -0.99 1.20 -0.12 0.00 0.00 0.00 175.76 176.08 1z8r n MET 148 N 6.12 2.76 -2.35 0.00 1.56 -1.26 -4.48 117.12 119.46 1z8r n MET 148 Ca 0.12 -3.80 -0.41 0.00 -0.27 0.00 0.00 57.70 53.34 1z8r n MET 148 Cb 0.46 -1.98 -0.03 0.00 2.15 0.00 0.00 33.22 33.82 1z8r n MET 148 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1z8r s GLU 149 N -3.42 4.46 0.00 2.12 0.41 -1.26 -5.22 118.70 115.79 1z8r s GLU 149 Ca 0.45 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 56.90 1z8r s GLU 149 Cb 0.39 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 1z8r s GLU 149 CO -0.01 -0.16 0.00 1.04 -0.49 0.00 0.00 175.26 175.64