#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ql8 s ASP 3 N 0.00 6.28 0.00 1.69 2.15 -1.26 -4.87 116.67 120.66 2ql8 s ASP 3 Ca 0.00 -0.32 0.16 0.00 0.43 0.00 0.00 52.55 52.83 2ql8 s ASP 3 Cb 0.00 -2.53 0.87 0.00 -0.30 0.00 0.00 42.92 40.97 2ql8 s ASP 3 CO 0.00 -1.60 1.45 -0.62 -0.17 0.00 0.00 175.17 174.23 2ql8 n GLU 4 N 8.64 0.32 0.20 4.34 1.02 -1.26 -1.98 120.64 131.91 2ql8 n GLU 4 Ca 0.04 0.10 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 2ql8 n GLU 4 Cb 0.48 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 31.10 2ql8 n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ql8 h ARG 5 N 0.00 0.00 -0.00 3.49 3.08 -2.03 -0.82 114.38 118.10 2ql8 h ARG 5 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ql8 h ARG 5 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2ql8 h ARG 5 CO 0.00 0.00 -0.02 0.91 -1.07 0.00 0.00 179.97 179.79 2ql8 n TRP 6 N -2.48 0.00 0.11 3.04 7.02 -0.84 -4.51 117.44 119.78 2ql8 n TRP 6 Ca -0.01 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.45 2ql8 n TRP 6 Cb 0.11 -0.07 0.23 0.00 -2.42 0.00 0.00 31.31 29.15 2ql8 n TRP 6 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2ql8 h ASN 7 N 0.50 0.20 -0.72 -0.99 4.21 -1.37 -3.38 115.58 114.02 2ql8 h ASN 7 Ca 0.00 -0.09 -0.30 0.00 1.21 0.00 0.00 56.30 57.12 2ql8 h ASN 7 Cb 0.19 -0.06 -0.21 0.00 -1.12 0.00 0.00 38.32 37.12 2ql8 h ASN 7 CO 0.00 0.62 -0.65 1.57 -1.29 0.00 0.00 177.43 177.68 2ql8 n HIS 8 N -4.00 -2.67 -1.24 1.19 -0.00 -1.26 -5.16 115.22 102.08 2ql8 n HIS 8 Ca -0.02 -2.16 -0.30 0.00 0.46 0.00 0.00 57.72 55.71 2ql8 n HIS 8 Cb 0.49 1.08 0.14 0.00 -0.12 0.00 0.00 29.99 31.58 2ql8 n HIS 8 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 2ql8 s PRO 9 N 0.30 1.25 0.28 1.57 0.02 -1.26 -4.95 135.00 132.21 2ql8 s PRO 9 Ca 0.32 0.77 0.02 0.00 0.02 0.00 0.00 61.00 62.14 2ql8 s PRO 9 Cb 0.17 -1.81 0.42 0.00 0.02 0.00 0.00 34.50 33.29 2ql8 s PRO 9 CO -0.18 -2.23 1.73 -0.07 -0.33 0.00 0.00 177.00 175.91 2ql8 h LEU 10 N -1.54 0.49 -7.00 -5.54 3.38 -2.00 -3.46 115.31 99.64 2ql8 h LEU 10 Ca -0.50 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 2ql8 h LEU 10 Cb 1.29 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.68 2ql8 h LEU 10 CO 0.55 0.72 0.27 -0.47 0.09 0.00 0.00 178.44 179.61 2ql8 s TYR 11 N -4.53 -0.64 0.06 1.13 5.04 -1.26 -5.17 117.35 111.98 2ql8 s TYR 11 Ca -0.07 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.02 2ql8 s TYR 11 Cb 0.14 0.34 -0.03 0.00 0.35 0.00 0.00 41.96 42.76 2ql8 s TYR 11 CO 0.79 -0.38 -0.10 0.99 -1.34 0.00 0.00 175.55 175.51 2ql8 s THR 12 N -0.13 0.76 0.23 4.34 2.01 -1.26 -5.16 115.64 116.43 2ql8 s THR 12 Ca -0.02 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 60.68 2ql8 s THR 12 Cb -0.04 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2ql8 s THR 12 CO 0.01 -0.39 0.26 0.28 -0.69 0.00 0.00 174.62 174.09 2ql8 s THR 13 N -1.62 0.00 0.06 -0.82 -1.32 -1.26 -5.18 115.64 105.50 2ql8 s THR 13 Ca -0.05 -1.80 0.01 0.00 -1.21 0.00 0.00 61.69 58.65 2ql8 s THR 13 Cb -0.08 -2.42 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 2ql8 s THR 13 CO 0.01 0.00 -0.06 0.42 -2.21 0.00 0.00 174.62 172.77 2ql8 s THR 14 N -4.02 0.49 -0.00 5.08 -4.23 -1.26 -5.16 115.64 106.54 2ql8 s THR 14 Ca 0.34 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2ql8 s THR 14 Cb 0.04 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.93 2ql8 s THR 14 CO 0.12 -0.59 -0.05 0.00 -0.54 0.00 0.00 174.62 173.57 2ql8 s ALA 15 N -2.25 0.39 -0.00 3.99 0.00 -1.26 -3.98 121.76 118.65 2ql8 s ALA 15 Ca -0.03 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.79 2ql8 s ALA 15 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2ql8 s ALA 15 CO -0.02 0.09 -0.19 0.42 0.00 0.00 0.00 175.76 176.06 2ql8 s ILE 16 N -0.07 1.47 -0.12 0.00 1.01 0.30 -4.98 121.20 118.82 2ql8 s ILE 16 Ca 0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2ql8 s ILE 16 Cb -0.02 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.25 2ql8 s ILE 16 CO -0.00 0.37 -0.02 0.21 0.00 0.00 0.00 174.94 175.50 2ql8 s ASN 17 N -0.56 2.12 -0.13 3.58 3.84 -1.26 -1.11 114.94 121.42 2ql8 s ASN 17 Ca 0.07 -0.34 0.15 0.00 0.21 0.00 0.00 52.86 52.94 2ql8 s ASN 17 Cb -0.07 -0.62 0.34 0.00 -0.55 0.00 0.00 41.25 40.35 2ql8 s ASN 17 CO -0.00 -0.20 1.17 -0.90 -2.79 0.00 0.00 177.10 174.38 2ql8 n ASP 18 N 5.05 1.59 -4.66 -4.21 5.68 -1.26 -5.08 116.55 113.66 2ql8 n ASP 18 Ca -0.09 -3.16 -0.29 0.00 -0.50 0.00 0.00 54.79 50.74 2ql8 n ASP 18 Cb 0.49 -0.43 -0.10 0.00 -1.14 0.00 0.00 41.12 39.94 2ql8 n ASP 18 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2ql8 s GLU 19 N -2.26 2.03 1.06 0.11 2.02 -1.26 -5.11 118.70 115.30 2ql8 s GLU 19 Ca 0.32 -2.20 -0.12 0.00 0.02 0.00 0.00 54.97 52.99 2ql8 s GLU 19 Cb 0.31 -1.60 0.23 0.00 0.10 0.00 0.00 34.13 33.17 2ql8 s GLU 19 CO -0.05 -0.15 1.07 -1.21 0.02 0.00 0.00 175.26 174.94 2ql8 s GLU 20 N -3.76 -0.11 0.25 1.61 2.02 -1.26 -4.92 118.70 112.53 2ql8 s GLU 20 Ca 0.26 0.70 -0.03 0.00 0.02 0.00 0.00 54.97 55.92 2ql8 s GLU 20 Cb 0.07 -1.66 0.49 0.00 0.10 0.00 0.00 34.13 33.13 2ql8 s GLU 20 CO 0.13 -3.14 1.72 1.25 0.02 0.00 0.00 175.26 175.25 2ql8 h LEU 21 N -2.20 0.27 -8.17 1.80 5.85 -2.00 -2.58 115.31 108.28 2ql8 h LEU 21 Ca -0.57 0.12 -0.60 0.00 0.84 0.00 0.00 57.88 57.67 2ql8 h LEU 21 Cb 1.33 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.35 2ql8 h LEU 21 CO 0.54 0.08 1.22 -0.70 -0.34 0.00 0.00 178.44 179.24 2ql8 s GLU 22 N -6.01 3.45 0.00 1.25 2.56 -1.26 -3.49 118.70 115.20 2ql8 s GLU 22 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 54.97 53.90 2ql8 s GLU 22 Cb 0.21 -4.90 0.00 0.00 2.00 0.00 0.00 34.13 31.44 2ql8 s GLU 22 CO 0.76 -2.11 0.00 0.41 -0.56 0.00 0.00 175.26 173.77 2ql8 n GLY 23 N 6.18 3.50 3.35 -1.50 0.00 -0.55 -5.01 105.19 111.17 2ql8 n GLY 23 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2ql8 n GLY 23 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ql8 s HIS 24 N 0.88 -0.16 0.04 1.61 3.76 -1.26 -0.97 115.29 119.19 2ql8 s HIS 24 Ca 0.00 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 2ql8 s HIS 24 Cb 0.00 0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.93 2ql8 s HIS 24 CO 0.00 -0.73 -0.08 0.00 -0.85 0.00 0.00 174.74 173.08 2ql8 s ALA 25 N -3.82 0.63 0.04 -1.40 0.00 -0.52 -4.47 121.76 112.21 2ql8 s ALA 25 Ca 0.05 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 2ql8 s ALA 25 Cb 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2ql8 s ALA 25 CO -0.10 0.03 0.33 1.52 0.00 0.00 0.00 175.76 177.54 2ql8 s TYR 26 N -1.10 -0.15 -0.29 0.00 1.13 -0.27 -0.90 117.35 115.77 2ql8 s TYR 26 Ca -0.06 0.03 -0.19 0.00 -1.41 0.00 0.00 57.07 55.44 2ql8 s TYR 26 Cb -0.08 0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.89 2ql8 s TYR 26 CO 0.00 -0.52 0.55 0.42 -2.51 0.00 0.00 175.55 173.49 2ql8 s ILE 27 N -2.53 5.02 0.14 -3.49 -1.09 0.21 -0.53 121.20 118.92 2ql8 s ILE 27 Ca -0.05 0.81 -0.34 0.00 -2.23 0.00 0.00 60.65 58.84 2ql8 s ILE 27 Cb -0.01 -3.90 -0.13 0.00 -1.58 0.00 0.00 42.46 36.84 2ql8 s ILE 27 CO -0.03 -0.02 1.63 -2.65 -1.23 0.00 0.00 174.94 172.63 2ql8 n PRO 28 N 5.67 2.23 -0.70 2.79 -0.02 -1.26 -0.03 135.00 143.69 2ql8 n PRO 28 Ca -0.03 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2ql8 n PRO 28 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2ql8 n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ql8 n GLY 29 N 3.58 1.39 0.00 -1.23 0.00 -1.26 -4.94 105.19 102.74 2ql8 n GLY 29 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ql8 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ql8 n GLY 30 N -2.00 5.49 3.74 -0.02 0.00 0.96 -5.13 105.19 108.23 2ql8 n GLY 30 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2ql8 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ql8 s LEU 31 N 0.00 4.36 -0.07 0.99 2.96 -1.25 -4.59 118.68 121.08 2ql8 s LEU 31 Ca 0.00 2.81 0.05 0.00 -0.22 0.00 0.00 54.13 56.78 2ql8 s LEU 31 Cb 0.00 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 2ql8 s LEU 31 CO 0.00 -0.86 -0.23 -0.75 -1.32 0.00 0.00 176.35 173.19 2ql8 s LYS 32 N 0.06 2.68 -0.01 1.98 2.20 -1.26 -0.62 119.74 124.77 2ql8 s LYS 32 Ca 0.65 -0.87 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 2ql8 s LYS 32 Cb -0.46 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 2ql8 s LYS 32 CO 0.42 0.36 -0.23 0.14 -0.36 0.00 0.00 175.35 175.68 2ql8 s VAL 33 N -0.10 1.80 0.21 4.02 -7.23 -0.08 -5.00 120.40 114.02 2ql8 s VAL 33 Ca -0.05 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 2ql8 s VAL 33 Cb -0.14 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.21 2ql8 s VAL 33 CO 0.04 0.46 1.16 -1.58 -0.31 0.00 0.00 175.10 174.87 2ql8 s GLN 34 N -0.66 4.54 0.21 4.82 0.74 -1.26 -1.44 119.66 126.60 2ql8 s GLN 34 Ca 0.09 1.84 0.10 0.00 0.05 0.00 0.00 55.36 57.44 2ql8 s GLN 34 Cb -0.09 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 2ql8 s GLN 34 CO -0.00 0.01 -0.20 0.95 -0.55 0.00 0.00 175.29 175.50 2ql8 s THR 35 N -0.41 2.16 0.15 -0.34 -4.23 -0.14 -0.43 115.64 112.40 2ql8 s THR 35 Ca 0.50 -2.12 -0.22 0.00 -1.18 0.00 0.00 61.69 58.67 2ql8 s THR 35 Cb -0.32 -2.08 0.06 0.00 1.34 0.00 0.00 72.50 71.51 2ql8 s THR 35 CO 0.38 -0.30 0.56 -0.55 -0.54 0.00 0.00 174.62 174.17 2ql8 s SER 36 N -2.96 -0.51 0.32 3.99 0.15 -0.29 -1.49 113.70 112.92 2ql8 s SER 36 Ca 0.22 -0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 2ql8 s SER 36 Cb -0.06 0.57 -0.11 0.00 -1.71 0.00 0.00 66.02 64.72 2ql8 s SER 36 CO 0.10 -0.94 1.53 -0.55 1.20 0.00 0.00 173.24 174.58 2ql8 s SER 37 N -2.72 6.40 -0.10 5.45 0.15 -1.26 -4.50 113.70 117.13 2ql8 s SER 37 Ca 0.01 2.95 -0.03 0.00 0.70 0.00 0.00 55.95 59.58 2ql8 s SER 37 Cb -0.00 -2.65 -0.09 0.00 -1.71 0.00 0.00 66.02 61.57 2ql8 s SER 37 CO -0.12 -0.87 1.72 -0.81 1.20 0.00 0.00 173.24 174.36 2ql8 n PRO 38 N 1.57 0.88 0.00 5.44 -0.04 -1.26 -4.75 135.00 136.83 2ql8 n PRO 38 Ca 0.05 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 2ql8 n PRO 38 Cb 0.38 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2ql8 n PRO 38 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ql8 n ASN 40 N 3.07 0.00 -1.57 3.54 0.23 -1.26 -5.06 115.26 114.21 2ql8 n ASN 40 Ca 0.19 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.32 2ql8 n ASN 40 Cb 0.31 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.37 2ql8 n ASN 40 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2ql8 n ASP 41 N 0.00 5.04 -4.76 0.53 8.00 -1.26 -4.99 116.55 119.11 2ql8 n ASP 41 Ca 0.00 -2.81 -0.34 0.00 0.71 0.00 0.00 54.79 52.35 2ql8 n ASP 41 Cb 0.00 -0.62 0.04 0.00 -0.02 0.00 0.00 41.12 40.52 2ql8 n ASP 41 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2ql8 s HIS 42 N -2.51 2.54 0.74 1.24 3.76 -1.26 -4.98 115.29 114.82 2ql8 s HIS 42 Ca 0.50 1.55 -0.15 0.00 -0.15 0.00 0.00 55.06 56.81 2ql8 s HIS 42 Cb 0.37 -3.28 0.04 0.00 1.11 0.00 0.00 32.58 30.82 2ql8 s HIS 42 CO 0.16 -1.82 1.25 -2.14 -0.85 0.00 0.00 174.74 171.35 2ql8 s PRO 43 N -3.72 2.03 0.00 8.40 0.02 -1.26 -4.93 135.00 135.53 2ql8 s PRO 43 Ca 0.71 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2ql8 s PRO 43 Cb -0.24 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2ql8 s PRO 43 CO 0.36 -1.96 0.00 0.41 -0.33 0.00 0.00 177.00 175.48 2ql8 n GLY 44 N 0.71 3.57 1.12 0.52 0.00 -1.26 -4.41 105.19 105.44 2ql8 n GLY 44 Ca 0.15 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 2ql8 n GLY 44 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ql8 n THR 45 N -1.21 0.00 -3.75 2.61 5.66 0.43 -4.46 114.28 113.55 2ql8 n THR 45 Ca 0.00 -0.41 -0.08 0.00 -3.05 0.00 0.00 64.05 60.51 2ql8 n THR 45 Cb 0.00 -1.41 -0.02 0.00 -1.55 0.00 0.00 70.33 67.35 2ql8 n THR 45 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ql8 s ASN 46 N -2.24 -0.31 0.47 1.09 2.20 -1.26 -1.13 114.94 113.75 2ql8 s ASN 46 Ca 0.20 -0.45 0.14 0.00 -0.94 0.00 0.00 52.86 51.80 2ql8 s ASN 46 Cb -0.01 0.67 1.11 0.00 -2.00 0.00 0.00 41.25 41.02 2ql8 s ASN 46 CO 0.13 -1.21 2.07 -0.65 -2.94 0.00 0.00 177.10 174.50 2ql8 h PRO 47 N 2.00 0.25 0.01 3.55 0.11 -1.99 -1.15 132.00 134.79 2ql8 h PRO 47 Ca -0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2ql8 h PRO 47 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ql8 h PRO 47 CO 0.26 0.17 -0.01 0.93 -0.21 0.00 0.00 178.00 179.14 2ql8 h GLU 48 N 0.26 -0.02 -0.24 1.05 3.07 -1.97 -0.08 114.58 116.66 2ql8 h GLU 48 Ca 0.13 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 2ql8 h GLU 48 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2ql8 h GLU 48 CO -0.03 0.19 0.13 1.96 -1.40 0.00 0.00 179.01 179.86 2ql8 h GLN 49 N -0.22 0.34 -0.73 2.33 4.20 -1.88 -1.53 115.11 117.63 2ql8 h GLN 49 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2ql8 h GLN 49 Cb 0.21 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2ql8 h GLN 49 CO 0.00 0.32 0.36 -0.07 -0.67 0.00 0.00 178.83 178.77 2ql8 h LEU 50 N 0.27 0.94 -0.45 1.46 3.38 -1.13 0.60 115.31 120.38 2ql8 h LEU 50 Ca 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ql8 h LEU 50 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2ql8 h LEU 50 CO -0.01 0.80 0.28 0.25 0.09 0.00 0.00 178.44 179.85 2ql8 h LEU 51 N 1.02 0.54 -0.73 1.67 5.85 -0.91 -0.21 115.31 122.54 2ql8 h LEU 51 Ca 0.25 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2ql8 h LEU 51 Cb 0.10 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2ql8 h LEU 51 CO -0.03 0.42 0.44 1.23 -0.34 0.00 0.00 178.44 180.16 2ql8 h GLY 52 N 0.60 1.05 1.00 3.75 0.00 -0.82 -0.42 103.07 108.24 2ql8 h GLY 52 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2ql8 h GLY 52 CO -0.03 0.43 0.40 1.41 0.00 0.00 0.00 176.54 178.74 2ql8 h LEU 53 N 0.99 0.87 0.47 3.11 3.38 -0.70 -0.35 115.31 123.09 2ql8 h LEU 53 Ca 0.26 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2ql8 h LEU 53 Cb -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2ql8 h LEU 53 CO -0.05 0.71 -0.22 -1.28 0.09 0.00 0.00 178.44 177.69 2ql8 h SER 54 N 0.97 -0.53 -0.24 -0.43 0.87 -0.61 -2.34 113.55 111.24 2ql8 h SER 54 Ca 0.25 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2ql8 h SER 54 Cb 0.02 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2ql8 h SER 54 CO -0.04 -0.35 0.03 0.25 -0.53 0.00 0.00 176.83 176.19 2ql8 h LEU 55 N -0.67 0.39 -0.70 2.23 5.85 -1.04 -0.32 115.31 121.05 2ql8 h LEU 55 Ca -0.06 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2ql8 h LEU 55 Cb 0.50 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 2ql8 h LEU 55 CO 0.11 0.56 0.40 0.77 -0.34 0.00 0.00 178.44 179.93 2ql8 h SER 56 N 0.19 0.59 -0.43 1.25 4.64 -1.13 0.78 113.55 119.43 2ql8 h SER 56 Ca 0.07 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 2ql8 h SER 56 Cb 0.35 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2ql8 h SER 56 CO 0.01 0.38 -0.01 0.74 -0.87 0.00 0.00 176.83 177.08 2ql8 h THR 57 N 0.72 1.26 -0.38 2.95 2.02 -1.25 -0.88 112.91 117.36 2ql8 h THR 57 Ca 0.31 -1.05 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 2ql8 h THR 57 Cb 0.19 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2ql8 h THR 57 CO -0.18 0.36 -0.03 0.00 0.37 0.00 0.00 175.52 176.04 2ql8 h LEU 59 N 0.51 0.73 -0.58 0.00 3.38 -0.82 -0.19 115.31 118.34 2ql8 h LEU 59 Ca 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ql8 h LEU 59 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2ql8 h LEU 59 CO 0.02 0.63 0.19 -0.08 0.09 0.00 0.00 178.44 179.29 2ql8 h GLU 60 N 0.78 0.89 -0.69 1.13 4.57 -1.01 0.11 114.58 120.38 2ql8 h GLU 60 Ca 0.20 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2ql8 h GLU 60 Cb 0.07 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2ql8 h GLU 60 CO -0.03 0.80 0.34 0.00 -1.18 0.00 0.00 179.01 178.94 2ql8 h ALA 61 N 1.05 0.88 -0.54 2.92 0.00 -0.85 -0.28 119.26 122.44 2ql8 h ALA 61 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ql8 h ALA 61 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ql8 h ALA 61 CO -0.01 0.43 0.09 1.15 0.00 0.00 0.00 179.25 180.91 2ql8 h THR 62 N 0.95 1.25 -0.68 0.00 2.02 -0.64 -2.07 112.91 113.73 2ql8 h THR 62 Ca 0.24 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 2ql8 h THR 62 Cb 0.09 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2ql8 h THR 62 CO -0.03 0.35 0.30 0.25 0.37 0.00 0.00 175.52 176.76 2ql8 h LEU 63 N 0.79 0.92 -0.85 2.58 5.85 -0.50 -1.10 115.31 123.00 2ql8 h LEU 63 Ca 0.17 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2ql8 h LEU 63 Cb 0.41 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2ql8 h LEU 63 CO 0.01 0.81 0.52 -0.08 -0.34 0.00 0.00 178.44 179.36 2ql8 h GLU 64 N 0.96 1.15 -0.50 1.25 4.81 -0.85 0.48 114.58 121.88 2ql8 h GLU 64 Ca 0.23 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2ql8 h GLU 64 Cb 0.16 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2ql8 h GLU 64 CO -0.02 0.81 0.19 0.00 -0.73 0.00 0.00 179.01 179.25 2ql8 h ALA 65 N 1.28 0.65 -0.31 2.92 0.00 -0.80 -1.33 119.26 121.68 2ql8 h ALA 65 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2ql8 h ALA 65 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2ql8 h ALA 65 CO -0.06 0.26 0.16 0.28 0.00 0.00 0.00 179.25 179.89 2ql8 h VAL 66 N 0.67 1.14 -0.47 0.00 2.07 -0.75 -1.08 116.25 117.83 2ql8 h VAL 66 Ca 0.17 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.35 2ql8 h VAL 66 Cb 0.20 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2ql8 h VAL 66 CO -0.01 0.15 0.16 -0.33 0.02 0.00 0.00 177.57 177.56 2ql8 h GLU 67 N 0.36 0.33 -0.67 1.57 5.08 -0.77 -1.96 114.58 118.52 2ql8 h GLU 67 Ca 0.11 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2ql8 h GLU 67 Cb 0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2ql8 h GLU 67 CO -0.01 0.22 0.15 0.87 -1.00 0.00 0.00 179.01 179.23 2ql8 h LYS 68 N 0.34 1.07 0.00 2.33 1.57 -0.92 -0.72 116.57 120.24 2ql8 h LYS 68 Ca 0.23 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2ql8 h LYS 68 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2ql8 h LYS 68 CO -0.23 0.95 -0.07 0.93 -0.57 0.00 0.00 179.45 180.47 2ql8 h GLU 69 N 1.01 0.00 -0.14 3.15 5.08 -0.70 -1.35 114.58 121.64 2ql8 h GLU 69 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2ql8 h GLU 69 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ql8 h GLU 69 CO 0.00 0.07 0.00 0.72 -1.00 0.00 0.00 179.01 178.80 2ql8 n HIS 70 N -4.33 0.17 -1.51 4.33 8.25 -0.69 -4.96 115.22 116.48 2ql8 n HIS 70 Ca -0.03 -0.09 -0.06 0.00 -0.26 0.00 0.00 57.72 57.28 2ql8 n HIS 70 Cb 0.15 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 2ql8 n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ql8 n GLY 71 N 1.15 0.60 3.66 -1.41 0.00 -0.51 -5.03 105.19 103.66 2ql8 n GLY 71 Ca 0.17 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 2ql8 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ql8 s LEU 72 N -1.57 3.37 0.98 0.99 1.43 -0.36 -5.00 118.68 118.50 2ql8 s LEU 72 Ca 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2ql8 s LEU 72 Cb 0.00 -2.11 0.17 0.00 0.03 0.00 0.00 46.19 44.28 2ql8 s LEU 72 CO 0.00 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.70 2ql8 s PRO 73 N -2.29 0.62 -0.47 1.29 0.04 -1.26 -4.02 135.00 128.91 2ql8 s PRO 73 Ca 0.25 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 61.51 2ql8 s PRO 73 Cb -0.12 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.69 2ql8 s PRO 73 CO 0.17 -2.59 0.84 -1.58 0.04 0.00 0.00 177.00 173.88 2ql8 s HIS 74 N -3.05 2.94 -0.01 0.56 2.46 -1.26 -4.81 115.29 112.12 2ql8 s HIS 74 Ca 0.65 0.15 0.02 0.00 0.47 0.00 0.00 55.06 56.35 2ql8 s HIS 74 Cb -0.18 -3.80 0.03 0.00 -0.13 0.00 0.00 32.58 28.50 2ql8 s HIS 74 CO 0.56 -1.08 0.86 0.25 -2.47 0.00 0.00 174.74 172.86 2ql8 n THR 75 N 6.20 0.71 -2.61 0.89 -2.24 -1.26 -5.09 114.28 110.87 2ql8 n THR 75 Ca 0.03 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 2ql8 n THR 75 Cb 0.48 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2ql8 n THR 75 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ql8 s GLY 76 N -0.87 1.72 -0.01 3.38 0.00 -1.26 -1.90 107.32 108.37 2ql8 s GLY 76 Ca 0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2ql8 s GLY 76 CO 0.00 -0.11 0.25 0.00 0.00 0.00 0.00 173.10 173.24 2ql8 s ALA 77 N -2.65 -0.63 -0.03 3.20 0.00 -1.26 -4.97 121.76 115.43 2ql8 s ALA 77 Ca 0.50 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2ql8 s ALA 77 Cb -0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2ql8 s ALA 77 CO 0.40 -0.24 -0.10 0.08 0.00 0.00 0.00 175.76 175.90 2ql8 s VAL 78 N -1.29 0.89 -0.07 0.00 1.01 -1.26 -4.43 120.40 115.25 2ql8 s VAL 78 Ca -0.13 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2ql8 s VAL 78 Cb -0.06 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 2ql8 s VAL 78 CO 0.03 0.27 -0.21 -0.60 0.00 0.00 0.00 175.10 174.60 2ql8 s ARG 79 N 0.13 2.41 -0.10 2.72 3.52 -0.43 -4.93 118.95 122.26 2ql8 s ARG 79 Ca -0.02 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2ql8 s ARG 79 Cb -0.09 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.37 2ql8 s ARG 79 CO 0.01 0.21 -0.22 0.08 -0.81 0.00 0.00 175.30 174.57 2ql8 s VAL 80 N 0.22 1.91 -0.17 7.11 1.01 -1.26 -0.25 120.40 128.96 2ql8 s VAL 80 Ca -0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 2ql8 s VAL 80 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2ql8 s VAL 80 CO 0.05 0.52 0.10 -0.54 0.00 0.00 0.00 175.10 175.24 2ql8 s LYS 81 N 0.49 3.88 -0.07 2.72 1.02 0.47 -4.90 119.74 123.34 2ql8 s LYS 81 Ca -0.16 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.61 2ql8 s LYS 81 Cb -0.17 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2ql8 s LYS 81 CO 0.06 0.43 -0.17 0.08 -0.92 0.00 0.00 175.35 174.83 2ql8 s VAL 82 N -0.04 1.48 -0.02 3.17 1.01 -1.26 -0.85 120.40 123.90 2ql8 s VAL 82 Ca 0.08 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2ql8 s VAL 82 Cb -0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2ql8 s VAL 82 CO 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.43 2ql8 s ALA 83 N 0.50 2.85 -0.22 5.51 0.00 -0.10 -4.96 121.76 125.35 2ql8 s ALA 83 Ca -0.15 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 2ql8 s ALA 83 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2ql8 s ALA 83 CO 0.05 0.59 0.08 0.12 0.00 0.00 0.00 175.76 176.59 2ql8 s PHE 84 N -0.88 3.18 0.12 0.00 5.36 -1.26 -0.68 117.98 123.80 2ql8 s PHE 84 Ca 0.14 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 2ql8 s PHE 84 Cb -0.11 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 2ql8 s PHE 84 CO 0.04 -0.07 -0.08 0.96 -1.46 0.00 0.00 175.22 174.61 2ql8 s ILE 85 N 0.97 0.88 0.00 3.12 -4.36 -0.39 -5.01 121.20 116.41 2ql8 s ILE 85 Ca 0.04 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 2ql8 s ILE 85 Cb -0.14 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.86 2ql8 s ILE 85 CO 0.03 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 175.02 2ql8 n GLY 86 N -0.04 0.29 3.67 6.27 0.00 -1.26 -1.19 105.19 112.93 2ql8 n GLY 86 Ca -0.12 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2ql8 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ql8 s ALA 87 N -2.00 -0.43 0.05 4.61 0.00 -1.15 -4.93 121.76 117.90 2ql8 s ALA 87 Ca 0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 51.96 50.79 2ql8 s ALA 87 Cb 0.00 0.98 -0.18 0.00 0.00 0.00 0.00 23.12 23.92 2ql8 s ALA 87 CO 0.00 -0.91 1.21 -2.13 0.00 0.00 0.00 175.76 173.93 2ql8 n ARG 88 N -0.44 0.63 -0.93 0.00 0.63 -1.26 -0.19 116.66 115.10 2ql8 n ARG 88 Ca -0.03 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2ql8 n ARG 88 Cb 0.61 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.72 2ql8 n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ql8 n ALA 89 N 2.04 0.00 -2.76 5.13 0.00 -1.26 -4.76 120.51 118.91 2ql8 n ALA 89 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2ql8 n ALA 89 Cb 0.14 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.54 2ql8 n ALA 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ql8 n GLU 90 N -0.25 1.49 -3.47 0.00 -0.58 0.74 -5.11 120.64 113.45 2ql8 n GLU 90 Ca 0.00 -3.08 -0.33 0.00 -0.42 0.00 0.00 57.16 53.33 2ql8 n GLU 90 Cb 0.32 -1.18 -0.05 0.00 -0.57 0.00 0.00 31.44 29.96 2ql8 n GLU 90 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2ql8 s TYR 91 N -2.93 3.50 0.09 -0.32 2.02 -1.06 -2.94 117.35 115.70 2ql8 s TYR 91 Ca 0.25 0.85 -0.02 0.00 -0.37 0.00 0.00 57.07 57.78 2ql8 s TYR 91 Cb 0.38 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2ql8 s TYR 91 CO -0.03 0.37 0.02 -0.65 -1.57 0.00 0.00 175.55 173.70 2ql8 s GLN 92 N -2.45 0.76 -0.02 -0.62 -0.21 -0.33 -5.00 119.66 111.79 2ql8 s GLN 92 Ca 0.42 -1.29 0.02 0.00 0.02 0.00 0.00 55.36 54.52 2ql8 s GLN 92 Cb -0.13 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.08 2ql8 s GLN 92 CO 0.21 -0.18 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.09 2ql8 s PHE 93 N -3.97 2.97 -0.01 0.91 0.08 -1.26 -1.26 117.98 115.45 2ql8 s PHE 93 Ca 0.14 0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.24 2ql8 s PHE 93 Cb 0.08 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2ql8 s PHE 93 CO -0.05 0.40 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.89 2ql8 s LEU 94 N -1.27 3.19 -0.06 -0.37 1.43 0.14 -4.87 118.68 116.87 2ql8 s LEU 94 Ca 0.16 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2ql8 s LEU 94 Cb -0.11 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2ql8 s LEU 94 CO 0.06 0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 176.18 2ql8 s VAL 95 N -0.97 0.77 -0.12 -1.59 1.01 -0.16 -0.93 120.40 118.42 2ql8 s VAL 95 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2ql8 s VAL 95 Cb -0.11 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.52 2ql8 s VAL 95 CO 0.07 0.29 -0.05 -2.28 0.00 0.00 0.00 175.10 173.13 2ql8 s HIS 96 N 1.09 1.31 -0.05 5.22 5.04 -0.03 -1.34 115.29 126.54 2ql8 s HIS 96 Ca -0.08 -0.68 -0.02 0.00 -1.54 0.00 0.00 55.06 52.74 2ql8 s HIS 96 Cb -0.14 -1.14 -0.04 0.00 0.04 0.00 0.00 32.58 31.30 2ql8 s HIS 96 CO -0.01 -0.50 0.08 0.00 -2.34 0.00 0.00 174.74 171.98 2ql8 s ALA 97 N 1.76 3.60 -0.07 1.58 0.00 0.10 -0.40 121.76 128.33 2ql8 s ALA 97 Ca 0.04 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2ql8 s ALA 97 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2ql8 s ALA 97 CO -0.07 0.65 -0.20 -0.65 0.00 0.00 0.00 175.76 175.49 2ql8 s GLN 98 N -1.39 2.40 0.46 0.00 -0.21 0.65 -1.06 119.66 120.50 2ql8 s GLN 98 Ca 0.19 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.88 2ql8 s GLN 98 Cb -0.12 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 2ql8 s GLN 98 CO 0.09 0.19 0.04 0.08 -2.12 0.00 0.00 175.29 173.57 2ql8 s VAL 99 N 0.28 1.16 -0.30 1.09 1.01 -0.13 -1.31 120.40 122.19 2ql8 s VAL 99 Ca -0.13 -2.00 -0.08 0.00 0.00 0.00 0.00 61.98 59.78 2ql8 s VAL 99 Cb -0.16 -2.37 0.19 0.00 0.00 0.00 0.00 36.38 34.04 2ql8 s VAL 99 CO 0.06 0.00 0.92 -0.69 0.00 0.00 0.00 175.10 175.38 2ql8 s VAL 101 N -2.96 -0.49 0.27 2.92 1.01 -1.26 -1.04 120.40 118.84 2ql8 s VAL 101 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2ql8 s VAL 101 Cb 0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 2ql8 s VAL 101 CO 0.09 0.00 1.21 -0.75 0.00 0.00 0.00 175.10 175.65 2ql8 s LYS 102 N 2.92 4.49 0.00 2.72 2.20 -0.80 -3.60 119.74 127.67 2ql8 s LYS 102 Ca 0.15 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 2ql8 s LYS 102 Cb -0.07 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2ql8 s LYS 102 CO -0.20 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 2ql8 n GLY 103 N 1.44 1.15 3.65 5.54 0.00 -1.26 -4.74 105.19 110.97 2ql8 n GLY 103 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2ql8 n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ql8 s VAL 104 N -2.72 3.58 0.65 1.61 -7.23 -1.24 -5.12 120.40 109.93 2ql8 s VAL 104 Ca 0.00 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.35 2ql8 s VAL 104 Cb 0.00 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2ql8 s VAL 104 CO 0.00 -0.23 1.27 1.51 -0.31 0.00 0.00 175.10 177.34 2ql8 s ASP 105 N -3.27 4.63 0.30 4.85 -4.77 -1.26 -4.79 116.67 112.36 2ql8 s ASP 105 Ca 0.29 2.56 0.01 0.00 -3.30 0.00 0.00 52.55 52.10 2ql8 s ASP 105 Cb -0.08 -2.61 0.52 0.00 -1.09 0.00 0.00 42.92 39.66 2ql8 s ASP 105 CO 0.19 -1.98 1.91 0.15 0.70 0.00 0.00 175.17 176.13 2ql8 h PHE 106 N 0.48 1.06 -0.59 2.11 3.57 -1.99 -1.16 116.94 120.42 2ql8 h PHE 106 Ca -0.50 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2ql8 h PHE 106 Cb 1.33 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2ql8 h PHE 106 CO 0.43 0.55 0.34 -0.44 -2.23 0.00 0.00 178.31 176.96 2ql8 h ASP 107 N 1.04 0.71 -0.19 0.41 3.32 -1.99 0.43 116.42 120.14 2ql8 h ASP 107 Ca 0.39 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 2ql8 h ASP 107 Cb 0.20 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2ql8 h ASP 107 CO -0.15 0.56 -0.31 0.74 -1.72 0.00 0.00 179.24 178.35 2ql8 h THR 108 N 0.81 1.33 -0.78 0.35 2.02 -1.62 -1.35 112.91 113.68 2ql8 h THR 108 Ca 0.21 -1.53 0.06 0.00 0.77 0.00 0.00 66.41 65.92 2ql8 h THR 108 Cb -0.01 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 2ql8 h THR 108 CO -0.04 0.47 0.47 0.00 0.37 0.00 0.00 175.52 176.79 2ql8 h ALA 109 N 0.61 1.07 -0.41 6.16 0.00 -0.75 0.63 119.26 126.58 2ql8 h ALA 109 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ql8 h ALA 109 Cb 0.90 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ql8 h ALA 109 CO 0.07 0.19 0.13 -0.22 0.00 0.00 0.00 179.25 179.42 2ql8 h LYS 110 N 0.86 0.63 -0.55 0.00 3.64 -0.81 -0.25 116.57 120.10 2ql8 h LYS 110 Ca 0.34 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2ql8 h LYS 110 Cb 0.17 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2ql8 h LYS 110 CO -0.17 0.62 0.32 0.00 -2.27 0.00 0.00 179.45 177.95 2ql8 h ALA 111 N 0.98 0.70 -0.48 5.00 0.00 -0.72 -1.03 119.26 123.71 2ql8 h ALA 111 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2ql8 h ALA 111 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2ql8 h ALA 111 CO -0.00 0.20 0.01 0.74 0.00 0.00 0.00 179.25 180.19 2ql8 h PHE 112 N 0.74 0.83 -0.45 0.00 -1.00 -0.69 -1.39 116.94 114.98 2ql8 h PHE 112 Ca 0.19 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 2ql8 h PHE 112 Cb 0.01 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 2ql8 h PHE 112 CO -0.02 0.76 0.18 1.15 -1.61 0.00 0.00 178.31 178.78 2ql8 h THR 113 N 0.73 1.20 -0.71 -1.55 2.02 -0.44 -0.62 112.91 113.53 2ql8 h THR 113 Ca 0.14 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.72 2ql8 h THR 113 Cb 0.44 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2ql8 h THR 113 CO 0.02 0.23 0.46 0.78 0.37 0.00 0.00 175.52 177.38 2ql8 h ASN 114 N 0.58 0.78 -0.48 4.18 2.35 -0.95 -0.47 115.58 121.57 2ql8 h ASN 114 Ca 0.15 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2ql8 h ASN 114 Cb 0.19 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2ql8 h ASN 114 CO -0.01 0.55 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.22 2ql8 h GLU 115 N 0.92 0.85 -0.12 0.81 4.81 -0.87 -2.84 114.58 118.15 2ql8 h GLU 115 Ca 0.27 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2ql8 h GLU 115 Cb -0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2ql8 h GLU 115 CO -0.08 0.90 -0.54 -0.84 -0.73 0.00 0.00 179.01 177.72 2ql8 h ILE 116 N 0.70 1.35 -0.97 2.32 3.07 -0.91 -2.57 117.51 120.51 2ql8 h ILE 116 Ca 0.13 -1.81 0.08 0.00 1.55 0.00 0.00 64.86 64.81 2ql8 h ILE 116 Cb 0.53 1.84 -0.07 0.00 -0.27 0.00 0.00 36.82 38.85 2ql8 h ILE 116 CO 0.03 0.55 0.63 -0.08 -1.05 0.00 0.00 178.15 178.22 2ql8 h GLU 117 N 0.28 1.04 0.00 0.16 4.81 -0.99 0.43 114.58 120.31 2ql8 h GLU 117 Ca 0.01 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2ql8 h GLU 117 Cb 1.03 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2ql8 h GLU 117 CO 0.09 0.69 -0.40 -0.91 -0.73 0.00 0.00 179.01 177.76 2ql8 h ASN 118 N 1.08 0.00 0.00 1.04 2.35 -1.26 -3.38 115.58 115.40 2ql8 h ASN 118 Ca 0.43 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.86 2ql8 h ASN 118 Cb 0.27 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 2ql8 h ASN 118 CO -0.18 0.40 -2.21 0.54 -1.65 0.00 0.00 177.43 174.32 2ql8 n ARG 119 N -3.24 1.06 -1.90 0.81 1.74 -0.88 -4.92 116.66 109.33 2ql8 n ARG 119 Ca 0.02 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 2ql8 n ARG 119 Cb 0.66 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 2ql8 n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ql8 h PRO 121 N 9.87 0.73 -0.28 0.00 0.11 -1.90 -0.58 132.00 139.95 2ql8 h PRO 121 Ca -0.43 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 2ql8 h PRO 121 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2ql8 h PRO 121 CO 0.95 0.49 -0.56 0.28 -0.21 0.00 0.00 178.00 178.95 2ql8 h VAL 122 N 0.76 1.27 -0.69 3.15 2.07 -1.95 -1.87 116.25 118.99 2ql8 h VAL 122 Ca 0.52 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 66.36 2ql8 h VAL 122 Cb 0.72 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 2ql8 h VAL 122 CO -0.35 0.57 0.38 0.28 0.02 0.00 0.00 177.57 178.47 2ql8 h SER 123 N 0.67 0.55 -0.68 0.57 0.02 -1.77 -1.95 113.55 110.96 2ql8 h SER 123 Ca 0.01 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2ql8 h SER 123 Cb 1.17 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2ql8 h SER 123 CO 0.12 0.35 0.30 0.11 -1.14 0.00 0.00 176.83 176.57 2ql8 h LYS 124 N 0.69 1.03 -0.08 3.45 1.57 -0.84 -1.45 116.57 120.93 2ql8 h LYS 124 Ca 0.32 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2ql8 h LYS 124 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ql8 h LYS 124 CO -0.20 0.82 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.31 2ql8 h LEU 125 N 1.01 0.11 -0.20 2.94 3.38 -0.60 -2.92 115.31 119.03 2ql8 h LEU 125 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2ql8 h LEU 125 Cb 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ql8 h LEU 125 CO -0.02 0.25 -0.56 0.18 0.09 0.00 0.00 178.44 178.37 2ql8 n LEU 126 N -4.34 0.88 -0.21 1.67 4.77 -0.85 -4.56 117.00 114.36 2ql8 n LEU 126 Ca -0.02 -0.25 0.02 0.00 -0.03 0.00 0.00 56.01 55.74 2ql8 n LEU 126 Cb 0.23 -0.14 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2ql8 n LEU 126 CO 0.37 0.19 0.89 0.50 -1.33 0.00 0.00 177.39 178.01 2ql8 h LYS 127 N 0.49 0.21 -0.62 3.23 3.64 -1.08 -1.67 116.57 120.77 2ql8 h LYS 127 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ql8 h LYS 127 Cb 0.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2ql8 h LYS 127 CO 0.00 0.14 0.00 0.09 -2.27 0.00 0.00 179.45 177.41 2ql8 n ASN 128 N -5.19 3.85 0.20 4.20 3.02 -1.26 -4.36 115.26 115.72 2ql8 n ASN 128 Ca 0.10 -2.34 0.09 0.00 -0.03 0.00 0.00 54.58 52.41 2ql8 n ASN 128 Cb 0.37 -0.51 0.23 0.00 -0.61 0.00 0.00 39.78 39.26 2ql8 n ASN 128 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2ql8 h SER 129 N 3.27 0.00 0.00 6.41 4.64 -1.59 -3.47 113.55 122.81 2ql8 h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ql8 h SER 129 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2ql8 h SER 129 CO 0.18 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2ql8 n GLY 130 N 0.86 0.98 0.00 -0.77 0.00 -1.26 -4.84 105.19 100.16 2ql8 n GLY 130 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ql8 n GLY 130 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ql8 n ASN 131 N 0.00 1.42 -4.17 1.61 4.13 -1.26 -5.02 115.26 111.97 2ql8 n ASN 131 Ca 0.00 -1.50 -0.31 0.00 1.68 0.00 0.00 54.58 54.45 2ql8 n ASN 131 Cb 0.00 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.07 2ql8 n ASN 131 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2ql8 s TYR 132 N -0.50 2.35 0.13 3.10 5.04 -1.26 -0.99 117.35 125.21 2ql8 s TYR 132 Ca 0.00 -0.99 0.05 0.00 -2.44 0.00 0.00 57.07 53.68 2ql8 s TYR 132 Cb 0.00 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 2ql8 s TYR 132 CO 0.00 -0.43 -0.12 0.95 -1.34 0.00 0.00 175.55 174.62 2ql8 s THR 133 N 0.51 1.20 -0.03 4.34 -4.23 -0.45 -5.01 115.64 111.97 2ql8 s THR 133 Ca -0.16 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.48 2ql8 s THR 133 Cb -0.17 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.07 2ql8 s THR 133 CO 0.06 -0.56 0.11 -0.51 -0.54 0.00 0.00 174.62 173.17 2ql8 s ILE 134 N -2.62 0.03 0.10 2.99 2.07 -1.26 -0.72 121.20 121.79 2ql8 s ILE 134 Ca 0.11 -0.25 -0.07 0.00 -1.41 0.00 0.00 60.65 59.03 2ql8 s ILE 134 Cb -0.02 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.31 2ql8 s ILE 134 CO 0.02 -0.14 0.16 -1.83 -1.91 0.00 0.00 174.94 171.24 2ql8 s GLU 135 N -0.42 0.86 -0.15 3.50 -1.05 -0.23 -4.96 118.70 116.26 2ql8 s GLU 135 Ca -0.05 -1.08 -0.07 0.00 -0.15 0.00 0.00 54.97 53.62 2ql8 s GLU 135 Cb -0.03 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 2ql8 s GLU 135 CO 0.00 -0.27 0.11 0.99 0.95 0.00 0.00 175.26 177.04 2ql8 s THR 136 N -3.91 5.20 0.19 1.83 2.01 -1.26 -0.96 115.64 118.74 2ql8 s THR 136 Ca 0.09 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.24 2ql8 s THR 136 Cb 0.05 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 2ql8 s THR 136 CO -0.08 0.53 -0.07 0.68 -0.69 0.00 0.00 174.62 175.00 2ql8 s VAL 137 N -0.33 1.19 -0.05 3.82 -7.23 -0.21 -4.89 120.40 112.71 2ql8 s VAL 137 Ca 0.10 -2.07 0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2ql8 s VAL 137 Cb -0.12 -2.07 -0.19 0.00 0.56 0.00 0.00 36.38 34.56 2ql8 s VAL 137 CO 0.01 -0.56 0.82 0.71 -0.31 0.00 0.00 175.10 175.77 2ql8 h THR 138 N 2.63 0.88 -3.34 5.32 1.35 -1.99 -3.40 112.91 114.35 2ql8 h THR 138 Ca -0.37 -2.61 -0.07 0.00 -0.55 0.00 0.00 66.41 62.81 2ql8 h THR 138 Cb 1.21 2.38 -0.03 0.00 -1.73 0.00 0.00 68.15 69.97 2ql8 h THR 138 CO 0.64 0.50 0.12 1.51 -0.25 0.00 0.00 175.52 178.03 2ql8 s ASP 139 N -6.11 0.17 -0.25 5.36 1.47 -1.26 -4.87 116.67 111.18 2ql8 s ASP 139 Ca -0.03 -1.12 0.13 0.00 1.18 0.00 0.00 52.55 52.71 2ql8 s ASP 139 Cb 0.08 0.76 0.67 0.00 -0.34 0.00 0.00 42.92 44.09 2ql8 s ASP 139 CO 0.82 -1.49 1.63 0.49 0.68 0.00 0.00 175.17 177.30 2ql8 n PHE 140 N -0.51 1.71 1.57 2.11 3.72 -1.26 -5.09 117.46 119.71 2ql8 n PHE 140 Ca -0.05 -1.03 0.14 0.00 -0.05 0.00 0.00 57.45 56.47 2ql8 n PHE 140 Cb 0.60 -0.50 0.59 0.00 -0.94 0.00 0.00 39.48 39.23 2ql8 n PHE 140 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34