#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 3.77 -0.16 1.61 0.04 -1.26 -5.05 135.00 133.95 1z8r s PRO 2 Ca 0.00 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1z8r s PRO 2 Cb 0.00 -2.40 0.08 0.00 0.04 0.00 0.00 34.50 32.22 1z8r s PRO 2 CO 0.00 -0.54 0.27 -0.47 0.04 0.00 0.00 177.00 176.30 1z8r s TYR 3 N -1.56 -0.44 0.00 0.56 5.04 -1.26 -5.14 117.35 114.55 1z8r s TYR 3 Ca 0.64 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1z8r s TYR 3 Cb -0.28 -0.09 0.00 0.00 0.35 0.00 0.00 41.96 41.94 1z8r s TYR 3 CO 0.34 -0.44 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1z8r n GLY 4 N 5.35 5.53 0.40 8.97 0.00 -1.26 -5.10 105.19 119.09 1z8r n GLY 4 Ca -0.06 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1z8r n GLY 4 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z8r n HIS 5 N 0.00 0.00 -4.25 1.61 8.25 -1.26 -5.03 115.22 114.54 1z8r n HIS 5 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1z8r n HIS 5 Cb 0.00 -0.58 -0.10 0.00 1.12 0.00 0.00 29.99 30.43 1z8r n HIS 5 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1z8r s GLN 6 N -2.30 2.04 0.16 -0.41 -2.07 -1.26 -5.12 119.66 110.71 1z8r s GLN 6 Ca -0.22 -1.06 -0.23 0.00 -1.82 0.00 0.00 55.36 52.03 1z8r s GLN 6 Cb 0.08 -2.26 0.08 0.00 -1.09 0.00 0.00 33.01 29.82 1z8r s GLN 6 CO 0.30 0.50 1.08 -1.13 -1.32 0.00 0.00 175.29 174.71 1z8r n SER 7 N 0.74 -1.69 0.00 12.60 3.41 -1.26 -5.09 113.62 122.32 1z8r n SER 7 Ca -0.14 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1z8r n SER 7 Cb 0.52 2.74 0.00 0.00 -0.26 0.00 0.00 64.21 67.21 1z8r n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z8r n GLY 8 N -0.76 0.00 3.27 5.00 0.00 -1.26 -4.84 105.19 106.60 1z8r n GLY 8 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 1.64 -0.29 4.61 0.00 -1.26 -4.73 121.76 121.74 1z8r s ALA 9 Ca 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 1z8r s ALA 9 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1z8r s ALA 9 CO 0.00 0.09 0.13 0.08 0.00 0.00 0.00 175.76 176.06 1z8r s VAL 10 N -2.40 4.56 -0.29 0.00 1.01 -0.92 -5.01 120.40 117.35 1z8r s VAL 10 Ca 0.13 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1z8r s VAL 10 Cb -0.03 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1z8r s VAL 10 CO 0.04 0.18 0.10 -0.47 0.00 0.00 0.00 175.10 174.95 1z8r s TYR 11 N 1.63 3.14 -0.22 5.22 6.14 -1.26 -1.04 117.35 130.96 1z8r s TYR 11 Ca 0.05 -0.70 0.02 0.00 0.64 0.00 0.00 57.07 57.08 1z8r s TYR 11 Cb -0.16 -2.28 0.04 0.00 0.42 0.00 0.00 41.96 39.98 1z8r s TYR 11 CO 0.06 -0.48 -0.14 0.08 0.64 0.00 0.00 175.55 175.71 1z8r s VAL 12 N 1.57 2.03 0.00 3.14 1.01 0.11 -3.67 120.40 124.59 1z8r s VAL 12 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1z8r s VAL 12 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1z8r s VAL 12 CO 0.04 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1z8r n GLY 13 N 4.55 2.91 0.99 4.51 0.00 -1.26 0.37 105.19 117.26 1z8r n GLY 13 Ca -0.17 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 3.64 2.82 -4.16 1.61 3.02 -1.26 -4.35 115.26 116.58 1z8r n ASN 14 Ca 0.00 -2.27 -0.19 0.00 -0.03 0.00 0.00 54.58 52.09 1z8r n ASN 14 Cb 0.00 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.60 1z8r n ASN 14 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1z8r s TYR 15 N -1.73 1.23 -0.11 3.10 2.02 0.16 -2.01 117.35 120.00 1z8r s TYR 15 Ca 0.27 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1z8r s TYR 15 Cb 0.18 -0.70 0.05 0.00 -0.40 0.00 0.00 41.96 41.08 1z8r s TYR 15 CO 0.12 0.05 0.06 0.21 -1.57 0.00 0.00 175.55 174.43 1z8r s LYS 16 N -1.55 0.12 -0.26 -0.62 2.36 0.10 0.05 119.74 119.94 1z8r s LYS 16 Ca -0.01 0.07 -0.11 0.00 -2.55 0.00 0.00 55.97 53.38 1z8r s LYS 16 Cb -0.09 -1.28 -0.05 0.00 -1.05 0.00 0.00 37.83 35.35 1z8r s LYS 16 CO 0.02 -0.50 0.17 0.14 1.55 0.00 0.00 175.35 176.73 1z8r s VAL 17 N 2.11 5.27 0.11 4.02 -7.23 -0.20 -1.45 120.40 123.03 1z8r s VAL 17 Ca 0.03 0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1z8r s VAL 17 Cb -0.14 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 1z8r s VAL 17 CO -0.06 0.29 -0.05 0.54 -0.31 0.00 0.00 175.10 175.51 1z8r s VAL 18 N 1.47 0.64 0.41 1.32 0.11 -0.79 -2.16 120.40 121.39 1z8r s VAL 18 Ca 0.07 -1.94 -0.27 0.00 -2.93 0.00 0.00 61.98 56.92 1z8r s VAL 18 Cb -0.15 -1.76 -0.10 0.00 -1.53 0.00 0.00 36.38 32.84 1z8r s VAL 18 CO 0.08 -0.79 1.43 0.20 -3.33 0.00 0.00 175.10 172.69 1z8r s ASN 19 N -3.06 6.17 0.16 3.54 0.01 -1.26 -2.31 114.94 118.19 1z8r s ASN 19 Ca 0.14 2.94 -0.15 0.00 -0.71 0.00 0.00 52.86 55.07 1z8r s ASN 19 Cb 0.06 -2.66 0.08 0.00 0.41 0.00 0.00 41.25 39.14 1z8r s ASN 19 CO -0.03 -0.98 1.75 -0.09 -1.51 0.00 0.00 177.10 176.24 1z8r h ARG 20 N 2.71 0.29 0.00 -0.60 2.43 0.08 0.90 114.38 120.19 1z8r h ARG 20 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1z8r h ARG 20 Cb 1.25 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1z8r h ARG 20 CO 0.63 0.20 0.00 1.58 -1.51 0.00 0.00 179.97 180.86 1z8r n HIS 21 N -5.01 0.17 0.45 2.20 -0.00 -1.26 -2.15 115.22 109.62 1z8r n HIS 21 Ca 0.02 0.07 0.06 0.00 0.46 0.00 0.00 57.72 58.33 1z8r n HIS 21 Cb 0.14 -0.61 -0.07 0.00 -0.12 0.00 0.00 29.99 29.32 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 -1.66 0.45 -4.77 0.27 7.94 0.45 -5.01 117.00 114.66 1z8r n LEU 22 Ca 0.03 -0.40 -0.35 0.00 -1.11 0.00 0.00 56.01 54.19 1z8r n LEU 22 Cb 0.16 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.12 1z8r n LEU 22 CO 0.13 0.11 0.77 0.00 -1.11 0.00 0.00 177.39 177.30 1z8r s ALA 23 N -2.29 2.67 0.40 1.96 0.00 0.28 -4.86 121.76 119.93 1z8r s ALA 23 Ca 0.03 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.84 1z8r s ALA 23 Cb 0.09 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1z8r s ALA 23 CO 0.50 -0.81 0.41 0.95 0.00 0.00 0.00 175.76 176.80 1z8r s THR 24 N -1.86 2.92 0.54 0.00 -4.23 -1.26 -4.96 115.64 106.79 1z8r s THR 24 Ca 0.72 -1.26 0.26 0.00 -1.18 0.00 0.00 61.69 60.22 1z8r s THR 24 Cb -0.23 -3.04 0.40 0.00 1.34 0.00 0.00 72.50 70.96 1z8r s THR 24 CO 0.29 -0.03 1.99 1.12 -0.54 0.00 0.00 174.62 177.45 1z8r h HIS 25 N 0.97 0.00 -0.01 3.99 2.07 -2.00 0.17 115.15 120.35 1z8r h HIS 25 Ca -0.42 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 56.94 1z8r h HIS 25 Cb 1.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.23 1z8r h HIS 25 CO 0.49 0.00 -0.76 0.28 -3.07 0.00 0.00 177.93 174.87 1z8r h VAL 26 N 0.00 1.50 -0.33 6.12 2.07 -1.98 -0.73 116.25 122.90 1z8r h VAL 26 Ca 0.25 -2.47 -0.07 0.00 0.82 0.00 0.00 66.70 65.23 1z8r h VAL 26 Cb 1.01 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1z8r h VAL 26 CO -0.00 0.71 -0.06 0.44 0.02 0.00 0.00 177.57 178.68 1z8r h ASP 27 N 0.06 0.62 0.59 0.57 3.32 -1.04 -2.57 116.42 117.97 1z8r h ASP 27 Ca -0.02 -0.35 -0.17 0.00 0.02 0.00 0.00 57.03 56.51 1z8r h ASP 27 Cb 1.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1z8r h ASP 27 CO 0.11 0.82 -0.75 -0.50 -1.72 0.00 0.00 179.24 177.20 1z8r h TRP 28 N 0.40 0.17 -0.80 4.55 6.55 -1.47 -0.80 115.95 124.56 1z8r h TRP 28 Ca 0.09 -0.08 0.04 0.00 0.95 0.00 0.00 58.89 59.88 1z8r h TRP 28 Cb 0.54 -0.02 -0.05 0.00 -0.86 0.00 0.00 29.16 28.76 1z8r h TRP 28 CO 0.05 0.83 0.50 1.96 -1.05 0.00 0.00 178.44 180.72 1z8r h GLN 29 N 0.08 0.92 -0.44 0.49 1.08 -0.96 -2.55 115.11 113.73 1z8r h GLN 29 Ca -0.02 -0.06 -0.29 0.00 -1.45 0.00 0.00 58.65 56.83 1z8r h GLN 29 Cb 1.32 -0.21 -0.20 0.00 -0.05 0.00 0.00 27.48 28.35 1z8r h GLN 29 CO 0.11 0.61 -0.34 0.09 -0.95 0.00 0.00 178.83 178.35 1z8r n ASN 30 N -4.62 3.46 -4.71 1.46 3.02 -0.98 -5.03 115.26 107.86 1z8r n ASN 30 Ca 0.10 -3.81 -0.42 0.00 -0.03 0.00 0.00 54.58 50.42 1z8r n ASN 30 Cb 0.12 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 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 3.99 1.70 -4.02 0.00 0.24 0.31 -4.94 118.33 115.60 1z8r n VAL 32 Ca 0.06 -0.60 -0.09 0.00 -2.04 0.00 0.00 64.34 61.68 1z8r n VAL 32 Cb 0.51 -1.69 -0.11 0.00 -1.47 0.00 0.00 33.84 31.08 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 -2.54 0.38 -0.23 6.34 -0.00 -1.04 -4.98 118.94 116.87 1z8r s TRP 33 Ca -0.26 -0.71 -0.08 0.00 -0.00 0.00 0.00 56.10 55.05 1z8r s TRP 33 Cb 0.07 -0.27 0.10 0.00 -0.00 0.00 0.00 33.47 33.37 1z8r s TRP 33 CO 0.72 -0.25 0.49 -2.00 -0.00 0.00 0.00 176.95 175.91 1z8r s GLU 34 N -2.32 0.40 -0.32 5.86 2.12 -1.26 0.67 118.70 123.85 1z8r s GLU 34 Ca -0.08 1.15 -0.12 0.00 0.36 0.00 0.00 54.97 56.29 1z8r s GLU 34 Cb -0.04 0.48 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 1z8r s GLU 34 CO -0.04 -0.23 0.22 -0.51 -0.54 0.00 0.00 175.26 174.15 1z8r s ASP 35 N 2.67 6.00 0.13 -1.70 1.11 0.20 -4.97 116.67 120.11 1z8r s ASP 35 Ca -0.03 -0.32 -0.14 0.00 0.18 0.00 0.00 52.55 52.24 1z8r s ASP 35 Cb -0.12 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.74 1z8r s ASP 35 CO -0.15 -0.18 1.59 0.22 1.18 0.00 0.00 175.17 177.84 1z8r h TYR 36 N 8.44 0.80 0.00 4.23 3.20 -1.97 0.83 116.97 132.50 1z8r h TYR 36 Ca -0.32 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1z8r h TYR 36 Cb 1.17 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1z8r h TYR 36 CO 0.69 0.78 0.00 0.09 -1.64 0.00 0.00 178.16 178.08 1z8r n ASN 37 N -4.44 0.14 -0.07 -2.11 4.13 -1.26 -2.51 115.26 109.14 1z8r n ASN 37 Ca -0.00 0.53 0.02 0.00 1.68 0.00 0.00 54.58 56.81 1z8r n ASN 37 Cb 0.27 -0.56 -0.00 0.00 -1.54 0.00 0.00 39.78 37.95 1z8r n ASN 37 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1z8r n ARG 38 N -1.65 2.71 -3.16 3.52 3.00 -0.87 0.11 116.66 120.31 1z8r n ARG 38 Ca 0.04 -0.36 -0.19 0.00 -0.00 0.00 0.00 57.85 57.34 1z8r n ARG 38 Cb 0.20 -0.86 -0.01 0.00 0.00 0.00 0.00 32.46 31.79 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 -0.43 -3.04 -4.28 6.15 9.92 0.28 -4.88 116.55 120.26 1z8r n ASP 39 Ca 0.01 -0.21 -0.21 0.00 -0.53 0.00 0.00 54.79 53.86 1z8r n ASP 39 Cb 0.07 -2.57 -0.12 0.00 -0.64 0.00 0.00 41.12 37.86 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 -6.13 2.38 0.05 0.64 2.96 -0.96 0.82 118.68 118.44 1z8r s LEU 40 Ca 0.30 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 1z8r s LEU 40 Cb -0.16 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.80 1z8r s LEU 40 CO 0.37 -0.05 0.20 -1.48 -1.32 0.00 0.00 176.35 174.06 1z8r s LEU 41 N -2.35 1.37 -0.10 -0.68 -0.00 -0.98 0.61 118.68 116.55 1z8r s LEU 41 Ca 0.10 -0.41 0.03 0.00 -0.00 0.00 0.00 54.13 53.85 1z8r s LEU 41 Cb -0.07 0.98 -0.00 0.00 -0.00 0.00 0.00 46.19 47.10 1z8r s LEU 41 CO 0.05 -0.59 -0.22 -0.69 -0.00 0.00 0.00 176.35 174.89 1z8r s VAL 42 N -2.79 2.20 0.23 1.48 1.01 0.21 -1.89 120.40 120.86 1z8r s VAL 42 Ca -0.03 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.09 1z8r s VAL 42 Cb -0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1z8r s VAL 42 CO -0.05 0.55 -0.21 -0.94 0.00 0.00 0.00 175.10 174.45 1z8r s SER 43 N 0.34 3.35 -0.19 3.32 1.04 -0.53 0.11 113.70 121.14 1z8r s SER 43 Ca -0.18 -0.94 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 1z8r s SER 43 Cb -0.18 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.64 1z8r s SER 43 CO 0.08 0.05 0.23 0.42 0.98 0.00 0.00 173.24 175.01 1z8r s THR 44 N -2.15 5.33 -0.18 2.02 -4.23 -0.62 0.03 115.64 115.83 1z8r s THR 44 Ca 0.24 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.24 1z8r s THR 44 Cb -0.06 -3.57 -0.18 0.00 1.34 0.00 0.00 72.50 70.03 1z8r s THR 44 CO 0.11 0.38 -0.05 0.35 -0.54 0.00 0.00 174.62 174.88 1z8r n THR 45 N 3.77 1.17 -2.54 3.99 -2.24 -0.85 -4.94 114.28 112.63 1z8r n THR 45 Ca -0.13 -0.61 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 1z8r n THR 45 Cb 0.52 -0.85 0.04 0.00 -2.10 0.00 0.00 70.33 67.94 1z8r n THR 45 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1z8r n THR 46 N -2.83 -5.61 -3.18 4.28 -1.04 -1.25 -5.05 114.28 99.60 1z8r n THR 46 Ca -0.32 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 60.94 1z8r n THR 46 Cb 0.98 -4.98 0.00 0.00 -1.82 0.00 0.00 70.33 64.52 1z8r n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1z8r n ALA 47 N -2.53 0.00 -1.91 2.41 0.00 -1.26 -5.04 120.51 112.18 1z8r n ALA 47 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1z8r n ALA 47 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 1z8r n ALA 47 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1z8r s HIS 48 N -5.38 3.45 0.24 0.00 0.00 -1.26 -4.04 115.29 108.30 1z8r s HIS 48 Ca 0.00 1.54 -0.05 0.00 -3.00 0.00 0.00 55.06 53.55 1z8r s HIS 48 Cb 0.00 -2.77 -0.05 0.00 -4.00 0.00 0.00 32.58 25.76 1z8r s HIS 48 CO 0.00 0.06 0.49 0.20 -1.00 0.00 0.00 174.74 174.49 1z8r s GLY 49 N -2.00 1.97 0.11 -1.38 0.00 -1.26 -4.63 107.32 100.13 1z8r s GLY 49 Ca 0.55 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1z8r s GLY 49 CO 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 173.10 172.79 1z8r s ASP 51 N -5.44 6.00 -0.18 0.00 1.01 -1.24 -5.03 116.67 111.79 1z8r s ASP 51 Ca 0.00 2.31 0.01 0.00 0.71 0.00 0.00 52.55 55.58 1z8r s ASP 51 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1z8r s ASP 51 CO 0.00 -1.03 -0.13 -0.89 0.21 0.00 0.00 175.17 173.32 1z8r s THR 52 N -1.58 1.70 0.27 -1.27 2.01 -1.26 -4.71 115.64 110.81 1z8r s THR 52 Ca 0.66 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 1z8r s THR 52 Cb -0.28 -1.66 -0.09 0.00 0.01 0.00 0.00 72.50 70.47 1z8r s THR 52 CO 0.34 0.34 1.14 -0.63 -0.69 0.00 0.00 174.62 175.12 1z8r s ILE 53 N 1.41 3.39 -0.22 1.82 1.01 -1.26 0.33 121.20 127.68 1z8r s ILE 53 Ca 0.02 1.36 -0.14 0.00 0.00 0.00 0.00 60.65 61.89 1z8r s ILE 53 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1z8r s ILE 53 CO -0.10 0.31 0.33 0.00 0.00 0.00 0.00 174.94 175.49 1z8r s ALA 54 N -1.01 3.57 -0.29 9.38 0.00 0.55 -4.01 121.76 129.94 1z8r s ALA 54 Ca 0.46 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1z8r s ALA 54 Cb -0.33 -2.56 0.32 0.00 0.00 0.00 0.00 23.12 20.55 1z8r s ALA 54 CO 0.42 -0.30 1.71 -2.13 0.00 0.00 0.00 175.76 175.46 1z8r n ARG 55 N 4.48 1.78 -3.26 0.00 0.00 -1.25 -4.71 116.66 113.69 1z8r n ARG 55 Ca -0.10 -1.71 -0.18 0.00 -0.00 0.00 0.00 57.85 55.86 1z8r n ARG 55 Cb 0.51 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.31 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 -1.75 3.28 -2.17 0.00 7.27 -1.26 -5.06 117.38 117.69 1z8r n GLN 57 Ca 0.03 -4.04 -0.42 0.00 0.07 0.00 0.00 57.00 52.64 1z8r n GLN 57 Cb 0.58 -2.16 -0.03 0.00 2.41 0.00 0.00 30.24 31.05 1z8r n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1z8r n THR 59 N 3.41 0.22 -4.45 0.00 5.66 -1.26 -4.66 114.28 113.20 1z8r n THR 59 Ca 0.09 0.06 -0.33 0.00 -3.05 0.00 0.00 64.05 60.82 1z8r n THR 59 Cb 0.42 -0.63 -0.16 0.00 -1.55 0.00 0.00 70.33 68.41 1z8r n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1z8r s THR 60 N -2.72 2.42 0.13 1.09 -4.23 -1.26 0.86 115.64 111.93 1z8r s THR 60 Ca 0.20 -0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1z8r s THR 60 Cb 0.17 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1z8r s THR 60 CO 0.41 0.52 0.29 -0.83 -0.54 0.00 0.00 174.62 174.47 1z8r s GLY 61 N 0.95 0.18 -0.16 3.99 0.00 0.21 -4.82 107.32 107.66 1z8r s GLY 61 Ca -0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.99 1z8r s GLY 61 CO -0.03 -0.70 0.14 0.54 0.00 0.00 0.00 173.10 173.05 1z8r s VAL 62 N -3.90 5.45 0.04 1.40 0.11 -0.81 0.99 120.40 123.68 1z8r s VAL 62 Ca 0.10 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1z8r s VAL 62 Cb 0.03 -3.45 -0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1z8r s VAL 62 CO -0.06 0.52 0.00 0.00 -3.33 0.00 0.00 175.10 172.23 1z8r n TYR 63 N 2.84 0.08 0.00 1.54 0.18 0.26 -2.34 117.16 119.72 1z8r n TYR 63 Ca -0.18 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.42 1z8r n TYR 63 Cb 0.53 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1z8r n TYR 63 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1z8r n PHE 64 N -0.09 0.00 0.00 -3.48 3.01 -1.26 -2.05 117.46 113.58 1z8r n PHE 64 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1z8r n PHE 64 Cb 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1z8r n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1z8r n ALA 66 N 0.00 0.98 -0.02 0.00 0.00 -1.26 -0.87 120.51 119.35 1z8r n ALA 66 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.78 1z8r n ALA 66 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1z8r n ALA 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1z8r h SER 67 N 0.06 -0.33 -0.30 0.00 0.02 -1.79 -1.37 113.55 109.83 1z8r h SER 67 Ca -0.41 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1z8r h SER 67 Cb 2.03 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.71 1z8r h SER 67 CO 0.08 -0.08 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 1z8r n LYS 68 N -3.17 1.71 -1.11 3.45 4.76 -1.26 -4.87 118.16 117.67 1z8r n LYS 68 Ca -0.01 -1.10 -0.04 0.00 -2.87 0.00 0.00 58.31 54.29 1z8r n LYS 68 Cb 0.06 -1.24 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.39 -5.00 -4.11 4.39 2.88 -0.52 -4.94 113.62 106.72 1z8r n SER 69 Ca 0.10 0.09 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 1z8r n SER 69 Cb 0.26 -2.82 -0.08 0.00 -0.75 0.00 0.00 64.21 60.81 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 -1.85 1.22 -0.31 -1.46 3.01 -0.05 -4.88 119.74 115.42 1z8r s LYS 70 Ca 0.00 -1.44 -0.22 0.00 -1.01 0.00 0.00 55.97 53.30 1z8r s LYS 70 Cb 0.00 0.33 -0.00 0.00 -1.01 0.00 0.00 37.83 37.15 1z8r s LYS 70 CO 0.00 -0.43 0.74 -3.38 0.51 0.00 0.00 175.35 172.79 1z8r s HIS 71 N -4.08 3.19 -0.32 3.18 -3.43 -1.26 -0.76 115.29 111.81 1z8r s HIS 71 Ca 0.29 0.70 -0.08 0.00 -0.80 0.00 0.00 55.06 55.17 1z8r s HIS 71 Cb 0.05 -3.17 0.01 0.00 -1.43 0.00 0.00 32.58 28.04 1z8r s HIS 71 CO 0.07 -0.56 0.13 0.71 -2.00 0.00 0.00 174.74 173.09 1z8r s TYR 72 N 2.87 3.19 0.21 0.38 1.51 -0.87 -4.93 117.35 119.72 1z8r s TYR 72 Ca 0.30 -0.96 -0.30 0.00 -1.01 0.00 0.00 57.07 55.10 1z8r s TYR 72 Cb -0.14 -2.32 -0.08 0.00 -0.11 0.00 0.00 41.96 39.30 1z8r s TYR 72 CO 0.13 -0.59 0.93 -2.14 -1.11 0.00 0.00 175.55 172.77 1z8r s PRO 73 N 1.52 4.82 0.13 -1.71 0.02 -1.26 0.90 135.00 139.41 1z8r s PRO 73 Ca 0.02 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.37 1z8r s PRO 73 Cb -0.18 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.06 1z8r s PRO 73 CO 0.04 0.47 0.34 0.54 -0.33 0.00 0.00 177.00 178.06 1z8r s VAL 74 N -0.98 0.09 -0.19 3.83 0.11 0.28 -4.90 120.40 118.62 1z8r s VAL 74 Ca 0.42 -0.88 -0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1z8r s VAL 74 Cb -0.25 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.21 1z8r s VAL 74 CO 0.31 -0.39 0.02 -0.94 -3.33 0.00 0.00 175.10 170.78 1z8r s SER 75 N -2.85 5.10 0.27 3.54 1.04 -1.26 0.66 113.70 120.20 1z8r s SER 75 Ca 0.06 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.43 1z8r s SER 75 Cb 0.03 -1.87 -0.06 0.00 0.10 0.00 0.00 66.02 64.22 1z8r s SER 75 CO -0.09 0.10 -0.01 0.72 0.98 0.00 0.00 173.24 174.94 1z8r s PHE 76 N 0.77 1.79 0.25 5.02 -0.12 0.25 -4.17 117.98 121.78 1z8r s PHE 76 Ca 0.01 -0.85 0.09 0.00 -0.05 0.00 0.00 56.93 56.14 1z8r s PHE 76 Cb -0.14 -1.06 -0.04 0.00 -0.63 0.00 0.00 43.02 41.15 1z8r s PHE 76 CO 0.02 0.09 0.02 -1.21 -0.05 0.00 0.00 175.22 174.09 1z8r s GLU 77 N -3.82 2.38 -0.86 1.99 8.01 -0.87 -4.64 118.70 120.89 1z8r s GLU 77 Ca 0.30 -1.34 0.01 0.00 0.01 0.00 0.00 54.97 53.96 1z8r s GLU 77 Cb 0.06 -2.23 0.31 0.00 -4.31 0.00 0.00 34.13 27.95 1z8r s GLU 77 CO 0.11 0.38 1.34 0.41 0.01 0.00 0.00 175.26 177.51 1z8r n GLY 78 N -0.84 5.55 3.76 -1.39 0.00 -1.26 -2.27 105.19 108.74 1z8r n GLY 78 Ca -0.07 -2.69 -0.41 0.00 0.00 0.00 0.00 46.02 42.85 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 -3.43 4.34 0.00 1.61 0.02 -1.10 -4.87 135.00 131.57 1z8r s PRO 79 Ca 0.40 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1z8r s PRO 79 Cb 0.17 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1z8r s PRO 79 CO -0.05 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 1z8r n GLY 80 N 1.29 -1.88 3.63 0.52 0.00 -1.26 -2.39 105.19 105.09 1z8r n GLY 80 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1z8r n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1z8r s LEU 81 N 0.00 4.07 -0.13 0.99 1.98 -1.26 0.11 118.68 124.44 1z8r s LEU 81 Ca 0.00 0.84 0.01 0.00 -2.89 0.00 0.00 54.13 52.09 1z8r s LEU 81 Cb 0.00 -2.99 0.02 0.00 0.66 0.00 0.00 46.19 43.88 1z8r s LEU 81 CO 0.00 -0.43 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.19 1z8r s VAL 82 N 2.64 1.54 -0.43 1.68 1.01 0.17 -4.96 120.40 122.05 1z8r s VAL 82 Ca 0.30 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1z8r s VAL 82 Cb -0.15 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1z8r s VAL 82 CO 0.08 0.45 1.60 -0.70 0.00 0.00 0.00 175.10 176.53 1z8r s GLU 83 N 1.21 3.33 -0.37 2.72 2.56 -1.26 -1.75 118.70 125.14 1z8r s GLU 83 Ca -0.01 0.99 -0.27 0.00 0.00 0.00 0.00 54.97 55.68 1z8r s GLU 83 Cb -0.14 -4.15 0.02 0.00 2.00 0.00 0.00 34.13 31.86 1z8r s GLU 83 CO -0.06 -1.88 0.97 0.54 -0.56 0.00 0.00 175.26 174.28 1z8r s VAL 84 N 6.50 4.54 0.50 3.70 0.11 0.43 -4.96 120.40 131.22 1z8r s VAL 84 Ca 0.67 1.29 -0.20 0.00 -2.93 0.00 0.00 61.98 60.81 1z8r s VAL 84 Cb -0.16 -4.37 -0.08 0.00 -1.53 0.00 0.00 36.38 30.24 1z8r s VAL 84 CO 0.30 -0.56 1.05 -1.58 -3.33 0.00 0.00 175.10 170.98 1z8r s GLN 85 N 3.58 3.72 -0.57 1.54 2.00 -1.26 -1.05 119.66 127.61 1z8r s GLN 85 Ca 0.40 1.38 -0.27 0.00 -2.00 0.00 0.00 55.36 54.87 1z8r s GLN 85 Cb -0.12 -2.08 -0.03 0.00 0.80 0.00 0.00 33.01 31.58 1z8r s GLN 85 CO 0.19 -0.50 1.97 -1.83 -0.50 0.00 0.00 175.29 174.61 1z8r s GLU 86 N -3.30 2.57 0.26 1.67 -1.05 -1.26 -4.44 118.70 113.15 1z8r s GLU 86 Ca 0.68 0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 56.29 1z8r s GLU 86 Cb -0.17 -4.41 -0.02 0.00 -0.44 0.00 0.00 34.13 29.09 1z8r s GLU 86 CO 0.22 -2.78 0.32 -1.12 0.95 0.00 0.00 175.26 172.86 1z8r s SER 87 N 8.77 0.42 0.00 0.83 0.01 -0.68 -4.87 113.70 118.19 1z8r s SER 87 Ca 0.74 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1z8r s SER 87 Cb -0.14 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1z8r s SER 87 CO 0.23 -1.05 0.00 1.21 0.41 0.00 0.00 173.24 174.03 1z8r n GLU 88 N -0.41 0.00 -0.74 12.44 4.07 -1.26 0.61 120.64 135.35 1z8r n GLU 88 Ca 0.01 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1z8r n GLU 88 Cb 0.63 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 32.01 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 -4.63 4.31 0.18 -1.26 -5.11 117.16 110.65 1z8r n TYR 89 Ca 0.00 -0.16 -0.31 0.00 1.88 0.00 0.00 57.90 59.31 1z8r n TYR 89 Cb 0.00 0.13 -0.13 0.00 -0.38 0.00 0.00 39.34 38.96 1z8r n TYR 89 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1z8r s TYR 90 N 0.00 2.54 0.31 -3.48 1.51 0.20 -4.89 117.35 113.54 1z8r s TYR 90 Ca 0.05 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 1z8r s TYR 90 Cb 0.06 -1.45 -0.09 0.00 -0.11 0.00 0.00 41.96 40.38 1z8r s TYR 90 CO -0.03 0.26 0.75 -1.25 -1.11 0.00 0.00 175.55 174.17 1z8r s PRO 91 N -1.51 4.07 -0.61 -1.71 0.04 -1.26 -1.68 135.00 132.34 1z8r s PRO 91 Ca 0.15 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 1z8r s PRO 91 Cb -0.10 -2.52 -0.24 0.00 0.04 0.00 0.00 34.50 31.68 1z8r s PRO 91 CO 0.06 0.20 1.83 1.17 0.04 0.00 0.00 177.00 180.30 1z8r n LYS 92 N -0.13 0.82 -4.22 4.56 3.00 -1.24 -4.34 118.16 116.61 1z8r n LYS 92 Ca 0.02 -1.63 -0.26 0.00 -0.00 0.00 0.00 58.31 56.45 1z8r n LYS 92 Cb 0.53 -3.03 -0.06 0.00 0.00 0.00 0.00 35.03 32.47 1z8r n LYS 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1z8r n ARG 93 N 7.69 0.83 -3.50 1.64 0.63 -0.22 -4.84 116.66 118.89 1z8r n ARG 93 Ca 0.47 -3.11 -0.37 0.00 -0.92 0.00 0.00 57.85 53.92 1z8r n ARG 93 Cb 0.43 1.13 -0.07 0.00 0.45 0.00 0.00 32.46 34.41 1z8r n ARG 93 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1z8r s TYR 94 N -2.68 3.52 -0.08 -0.14 1.51 -1.26 -0.43 117.35 117.79 1z8r s TYR 94 Ca 0.07 0.72 0.01 0.00 -1.01 0.00 0.00 57.07 56.85 1z8r s TYR 94 Cb 0.00 -2.36 0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1z8r s TYR 94 CO 0.05 0.31 -0.07 -0.65 -1.11 0.00 0.00 175.55 174.08 1z8r s GLN 95 N 0.18 1.31 0.14 -0.62 -0.21 -0.72 -4.59 119.66 115.15 1z8r s GLN 95 Ca 0.20 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.38 1z8r s GLN 95 Cb -0.14 -1.27 -0.04 0.00 1.00 0.00 0.00 33.01 32.56 1z8r s GLN 95 CO 0.07 -0.13 0.22 0.45 -2.12 0.00 0.00 175.29 173.78 1z8r s SER 96 N 1.21 6.04 -0.56 5.90 0.15 0.30 0.45 113.70 127.19 1z8r s SER 96 Ca -0.05 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 1z8r s SER 96 Cb -0.14 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1z8r s SER 96 CO -0.02 0.07 0.47 1.41 1.20 0.00 0.00 173.24 176.38 1z8r n HIS 97 N -0.35 -1.14 -4.93 3.44 -0.00 0.29 -4.40 115.22 108.13 1z8r n HIS 97 Ca -0.07 0.44 -0.27 0.00 -0.00 0.00 0.00 57.72 57.82 1z8r n HIS 97 Cb 0.54 -3.42 -0.15 0.00 -0.00 0.00 0.00 29.99 26.96 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 -3.18 1.73 0.03 1.59 0.11 -1.01 -2.36 120.40 117.30 1z8r s VAL 98 Ca 0.10 -1.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1z8r s VAL 98 Cb -0.01 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1z8r s VAL 98 CO 0.36 0.39 0.02 -0.76 -3.33 0.00 0.00 175.10 171.78 1z8r s LEU 99 N -0.75 3.57 -0.03 2.54 1.02 0.21 -2.72 118.68 122.51 1z8r s LEU 99 Ca 0.08 -0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.22 1z8r s LEU 99 Cb -0.09 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 44.01 1z8r s LEU 99 CO 0.00 0.24 -0.07 -0.76 0.02 0.00 0.00 176.35 175.79 1z8r s LEU 100 N -1.83 1.64 0.04 1.79 1.43 -0.96 0.63 118.68 121.43 1z8r s LEU 100 Ca 0.22 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1z8r s LEU 100 Cb -0.12 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1z8r s LEU 100 CO 0.14 0.02 -0.07 0.00 0.23 0.00 0.00 176.35 176.66 1z8r s ALA 101 N 0.44 0.55 -0.16 4.21 0.00 -0.86 -2.06 121.76 123.88 1z8r s ALA 101 Ca -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1z8r s ALA 101 Cb -0.10 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1z8r s ALA 101 CO 0.01 -0.04 -0.03 -0.08 0.00 0.00 0.00 175.76 175.61 1z8r s THR 102 N -1.50 3.93 0.00 0.00 -1.32 -1.26 0.18 115.64 115.67 1z8r s THR 102 Ca -0.10 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1z8r s THR 102 Cb -0.09 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1z8r s THR 102 CO -0.00 0.48 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 1z8r n GLY 103 N 3.62 0.57 0.02 6.08 0.00 -0.88 -4.77 105.19 109.83 1z8r n GLY 103 Ca -0.17 -1.84 -0.00 0.00 0.00 0.00 0.00 46.02 44.01 1z8r n GLY 103 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1z8r h PHE 104 N -0.01 0.00 -0.71 1.61 3.57 -1.97 -3.49 116.94 115.94 1z8r h PHE 104 Ca 0.00 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 1z8r h PHE 104 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1z8r h PHE 104 CO 0.00 0.00 -0.18 -1.12 -2.23 0.00 0.00 178.31 174.78 1z8r s SER 105 N -4.04 4.91 0.21 0.41 0.01 -1.26 -5.08 113.70 108.86 1z8r s SER 105 Ca -0.01 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 1z8r s SER 105 Cb 0.00 0.33 -0.09 0.00 0.21 0.00 0.00 66.02 66.48 1z8r s SER 105 CO 0.01 -1.24 1.23 -1.61 0.41 0.00 0.00 173.24 172.05 1z8r s GLU 106 N -4.50 4.46 -0.14 12.44 2.02 -1.26 -4.88 118.70 126.83 1z8r s GLU 106 Ca 0.50 1.96 -0.29 0.00 0.02 0.00 0.00 54.97 57.16 1z8r s GLU 106 Cb -0.04 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 1z8r s GLU 106 CO 0.32 -0.12 1.30 -1.25 0.02 0.00 0.00 175.26 175.53 1z8r s PRO 107 N -0.47 4.24 -0.06 0.39 0.04 -1.26 -4.91 135.00 132.96 1z8r s PRO 107 Ca 0.53 1.72 0.13 0.00 0.04 0.00 0.00 61.00 63.42 1z8r s PRO 107 Cb -0.34 -3.77 -0.23 0.00 0.04 0.00 0.00 34.50 30.20 1z8r s PRO 107 CO 0.39 -0.70 0.61 0.41 0.04 0.00 0.00 177.00 177.75 1z8r n GLY 108 N 3.65 -1.00 3.21 0.56 0.00 -1.26 -4.93 105.19 105.42 1z8r n GLY 108 Ca 0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1z8r n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1z8r s ASP 109 N -6.02 2.15 1.27 1.61 1.01 -1.26 -5.14 116.67 110.28 1z8r s ASP 109 Ca -0.05 -0.52 -0.16 0.00 0.71 0.00 0.00 52.55 52.54 1z8r s ASP 109 Cb 0.08 -0.16 0.32 0.00 1.01 0.00 0.00 42.92 44.17 1z8r s ASP 109 CO 0.83 0.10 0.94 0.00 0.21 0.00 0.00 175.17 177.25 1z8r n ALA 110 N 1.78 -3.65 -4.12 5.23 0.00 -1.26 -4.95 120.51 113.55 1z8r n ALA 110 Ca -0.18 -1.42 -0.21 0.00 0.00 0.00 0.00 53.44 51.63 1z8r n ALA 110 Cb 0.54 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 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 1.31 3.26 0.00 0.00 0.00 -1.26 -4.51 105.19 103.99 1z8r n GLY 111 Ca 0.05 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 0.59 0.19 3.23 -0.02 0.00 -1.26 -4.80 105.19 103.12 1z8r n GLY 112 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 0.61 1.55 -0.26 -0.61 -4.36 -1.26 -1.99 121.20 114.87 1z8r s ILE 113 Ca 0.00 -1.22 -0.22 0.00 -0.26 0.00 0.00 60.65 58.95 1z8r s ILE 113 Cb 0.00 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.33 1z8r s ILE 113 CO 0.00 0.10 0.71 -0.22 0.24 0.00 0.00 174.94 175.78 1z8r s LEU 114 N -1.32 4.08 0.11 0.37 2.96 0.24 -4.61 118.68 120.51 1z8r s LEU 114 Ca 0.06 0.79 0.10 0.00 -0.22 0.00 0.00 54.13 54.85 1z8r s LEU 114 Cb -0.09 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1z8r s LEU 114 CO 0.02 -0.46 -0.23 0.00 -1.32 0.00 0.00 176.35 174.37 1z8r s ARG 115 N 2.68 1.63 0.31 1.98 1.70 -0.99 0.32 118.95 126.58 1z8r s ARG 115 Ca 0.30 -1.24 0.09 0.00 -0.47 0.00 0.00 55.73 54.41 1z8r s ARG 115 Cb -0.15 -2.02 -0.05 0.00 -0.57 0.00 0.00 34.95 32.16 1z8r s ARG 115 CO 0.09 0.47 -0.01 0.00 -1.08 0.00 0.00 175.30 174.77 1z8r h GLU 117 N 1.87 0.00 0.07 0.00 4.57 -1.98 -0.50 114.58 118.60 1z8r h GLU 117 Ca -0.43 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.42 1z8r h GLU 117 Cb 1.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1z8r h GLU 117 CO 0.64 0.00 -1.89 0.72 -1.18 0.00 0.00 179.01 177.30 1z8r n HIS 118 N -2.97 1.10 0.00 0.92 8.25 -1.26 -5.08 115.22 116.18 1z8r n HIS 118 Ca -0.02 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1z8r n HIS 118 Cb 0.26 -1.17 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 1.81 -0.98 3.79 -1.41 0.00 -0.20 -4.63 105.19 103.56 1z8r n GLY 119 Ca -0.26 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.72 5.31 -0.13 1.61 1.01 0.15 0.94 120.40 125.57 1z8r s VAL 120 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1z8r s VAL 120 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1z8r s VAL 120 CO 0.00 0.54 -0.22 -0.38 0.00 0.00 0.00 175.10 175.04 1z8r n ILE 121 N 2.70 1.17 -3.10 2.22 2.08 0.15 -0.33 119.36 124.25 1z8r n ILE 121 Ca -0.18 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.37 1z8r n ILE 121 Cb 0.54 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 37.23 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 1.54 1.12 3.41 7.39 0.00 -0.75 -0.39 105.19 117.52 1z8r n GLY 122 Ca -0.09 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 2.45 0.60 0.99 2.34 -0.81 0.83 118.68 125.08 1z8r s LEU 123 Ca 0.00 -0.37 -0.19 0.00 0.06 0.00 0.00 54.13 53.63 1z8r s LEU 123 Cb 0.00 -1.46 -0.04 0.00 -0.56 0.00 0.00 46.19 44.13 1z8r s LEU 123 CO 0.00 0.31 1.18 0.55 -1.06 0.00 0.00 176.35 177.33 1z8r n VAL 124 N 2.10 4.19 0.00 1.48 3.14 -0.84 0.57 118.33 128.96 1z8r n VAL 124 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1z8r n VAL 124 Cb 0.52 -1.40 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 1z8r n VAL 124 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1z8r n THR 125 N -1.61 0.00 -4.41 1.55 5.66 0.21 -4.72 114.28 110.96 1z8r n THR 125 Ca 0.14 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.79 1z8r n THR 125 Cb 0.47 -0.08 -0.10 0.00 -1.55 0.00 0.00 70.33 69.07 1z8r n THR 125 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1z8r s MET 126 N 0.00 3.03 -0.09 1.09 1.75 -1.25 -4.92 119.30 118.90 1z8r s MET 126 Ca 0.00 -0.44 0.03 0.00 -1.25 0.00 0.00 55.69 54.03 1z8r s MET 126 Cb 0.00 -2.78 0.01 0.00 2.84 0.00 0.00 34.83 34.90 1z8r s MET 126 CO 0.00 0.65 -0.20 0.20 -0.65 0.00 0.00 175.02 175.02 1z8r s GLY 127 N -0.73 1.16 0.00 2.11 0.00 -1.26 -0.03 107.32 108.56 1z8r s GLY 127 Ca 0.11 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1z8r s GLY 127 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1z8r n GLY 128 N 3.71 -0.62 0.25 0.20 0.00 -0.64 -4.92 105.19 103.17 1z8r n GLY 128 Ca -0.20 -1.65 0.16 0.00 0.00 0.00 0.00 46.02 44.32 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 4.39 -2.00 -3.36 114.58 115.22 1z8r h GLU 129 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1z8r h GLU 129 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1z8r h GLU 129 CO 0.00 0.00 -0.04 0.41 -1.16 0.00 0.00 179.01 178.22 1z8r n GLY 130 N 0.22 0.89 3.35 -3.84 0.00 -1.26 -4.20 105.19 100.35 1z8r n GLY 130 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 1.85 -0.20 1.61 1.01 -1.26 -2.06 120.40 121.36 1z8r s VAL 131 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.94 1z8r s VAL 131 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1z8r s VAL 131 CO 0.00 -0.40 -0.16 0.68 0.00 0.00 0.00 175.10 175.22 1z8r s VAL 132 N -2.35 2.31 -0.19 2.92 -7.23 0.48 -1.62 120.40 114.71 1z8r s VAL 132 Ca 0.19 -0.95 -0.18 0.00 -1.81 0.00 0.00 61.98 59.23 1z8r s VAL 132 Cb -0.04 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 1z8r s VAL 132 CO 0.07 0.45 0.52 -0.83 -0.31 0.00 0.00 175.10 175.00 1z8r s GLY 133 N 1.30 2.09 -0.05 2.32 0.00 0.95 -2.03 107.32 111.91 1z8r s GLY 133 Ca 0.04 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.42 1z8r s GLY 133 CO -0.10 1.06 -0.19 -1.36 0.00 0.00 0.00 173.10 172.50 1z8r s PHE 134 N 1.58 1.92 -0.41 1.90 0.08 0.21 0.65 117.98 123.91 1z8r s PHE 134 Ca 0.24 -0.55 -0.22 0.00 0.12 0.00 0.00 56.93 56.51 1z8r s PHE 134 Cb -0.15 -1.28 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1z8r s PHE 134 CO 0.10 -0.18 0.75 0.00 -0.10 0.00 0.00 175.22 175.79 1z8r s ALA 135 N -0.03 3.37 0.26 5.36 0.00 0.19 0.66 121.76 131.57 1z8r s ALA 135 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1z8r s ALA 135 Cb -0.12 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1z8r s ALA 135 CO 0.03 -1.67 1.34 0.34 0.00 0.00 0.00 175.76 175.79 1z8r s ASP 136 N 1.97 6.79 0.00 0.00 -1.08 -1.00 -1.93 116.67 121.43 1z8r s ASP 136 Ca 0.29 2.58 0.15 0.00 -0.52 0.00 0.00 52.55 55.05 1z8r s ASP 136 Cb -0.13 -2.63 0.50 0.00 -1.46 0.00 0.00 42.92 39.20 1z8r s ASP 136 CO 0.19 -0.57 1.38 0.52 0.52 0.00 0.00 175.17 177.22 1z8r n VAL 137 N 1.84 0.36 0.74 1.11 0.31 0.48 -4.02 118.33 119.15 1z8r n VAL 137 Ca 0.04 -0.42 0.08 0.00 -0.01 0.00 0.00 64.34 64.03 1z8r n VAL 137 Cb 0.42 0.29 0.41 0.00 -0.91 0.00 0.00 33.84 34.04 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 0.44 0.19 -0.38 5.55 5.12 -1.26 -2.27 116.66 124.04 1z8r n ARG 138 Ca 0.14 0.15 0.10 0.00 -1.93 0.00 0.00 57.85 56.30 1z8r n ARG 138 Cb 0.31 -1.50 0.29 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.33 3.65 -2.66 0.55 2.03 -1.26 -4.49 116.55 113.04 1z8r n ASP 139 Ca 0.07 -2.08 -0.04 0.00 0.52 0.00 0.00 54.79 53.26 1z8r n ASP 139 Cb 0.15 -0.46 0.04 0.00 -0.72 0.00 0.00 41.12 40.12 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 1.32 -1.25 0.13 -2.67 -0.00 -0.96 -5.00 117.00 108.57 1z8r n LEU 140 Ca 0.22 -1.99 0.12 0.00 -0.00 0.00 0.00 56.01 54.36 1z8r n LEU 140 Cb 0.60 0.84 0.49 0.00 -0.00 0.00 0.00 43.42 45.35 1z8r n LEU 140 CO 0.16 1.36 0.86 -0.11 -0.00 0.00 0.00 177.39 179.66 1z8r n LEU 141 N -0.19 0.68 -4.47 1.47 -0.00 -1.11 -4.63 117.00 108.75 1z8r n LEU 141 Ca -0.18 0.66 -0.12 0.00 -0.00 0.00 0.00 56.01 56.37 1z8r n LEU 141 Cb 0.70 -0.56 -0.10 0.00 -0.00 0.00 0.00 43.42 43.46 1z8r n LEU 141 CO -0.10 -0.54 1.19 -2.67 -0.00 0.00 0.00 177.39 175.27 1z8r n TRP 142 N -2.25 0.72 0.00 1.96 4.27 -1.26 -3.57 117.44 117.32 1z8r n TRP 142 Ca 0.02 -0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.55 1z8r n TRP 142 Cb 0.24 -2.04 0.00 0.00 -1.36 0.00 0.00 31.31 28.15 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 15.61 0.00 0.00 5.67 4.32 -1.26 -5.00 117.00 136.33 1z8r n LEU 143 Ca 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1z8r n LEU 143 Cb 0.43 0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1z8r n LEU 143 CO 0.61 -0.24 0.00 -1.84 -1.22 0.00 0.00 177.39 174.70 1z8r n GLU 144 N -1.99 0.00 -1.96 3.23 0.28 -1.23 -4.56 120.64 114.41 1z8r n GLU 144 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1z8r n GLU 144 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 1z8r n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1z8r s ASP 145 N 0.91 5.72 0.15 -1.84 1.11 -1.26 -5.03 116.67 116.42 1z8r s ASP 145 Ca 0.00 2.63 0.04 0.00 0.18 0.00 0.00 52.55 55.40 1z8r s ASP 145 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1z8r s ASP 145 CO 0.00 -1.25 0.14 -1.81 1.18 0.00 0.00 175.17 173.43 1z8r s ASP 146 N -1.01 5.60 -0.23 0.27 1.11 -1.26 -4.65 116.67 116.49 1z8r s ASP 146 Ca 0.66 -0.08 -0.29 0.00 0.18 0.00 0.00 52.55 53.02 1z8r s ASP 146 Cb -0.37 -1.49 0.01 0.00 1.07 0.00 0.00 42.92 42.14 1z8r s ASP 146 CO 0.45 0.08 1.04 0.00 1.18 0.00 0.00 175.17 177.92 1z8r s ALA 147 N -1.69 3.69 -0.03 5.23 0.00 -1.26 -4.88 121.76 122.82 1z8r s ALA 147 Ca 0.31 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1z8r s ALA 147 Cb -0.10 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1z8r s ALA 147 CO 0.24 -1.05 -0.15 0.00 0.00 0.00 0.00 175.76 174.79 1z8r s MET 148 N 3.20 1.46 -0.50 0.00 0.23 -1.26 -3.93 119.30 118.50 1z8r s MET 148 Ca 0.44 -0.54 0.04 0.00 -1.03 0.00 0.00 55.69 54.59 1z8r s MET 148 Cb -0.15 -1.33 0.16 0.00 -1.53 0.00 0.00 34.83 31.98 1z8r s MET 148 CO 0.06 0.26 0.35 -1.21 -2.03 0.00 0.00 175.02 172.45 1z8r s GLU 149 N -0.09 1.40 0.00 3.16 2.02 -1.26 -5.16 118.70 118.76 1z8r s GLU 149 Ca 0.00 -2.38 0.00 0.00 0.02 0.00 0.00 54.97 52.61 1z8r s GLU 149 Cb -0.09 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1z8r s GLU 149 CO 0.01 -1.30 0.15 1.04 0.02 0.00 0.00 175.26 175.18