#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 6.51 0.61 0.00 -1.08 -1.26 -4.93 116.67 116.51 2ql8 s ASP 3 Ca 0.00 0.18 0.38 0.00 -0.52 0.00 0.00 52.55 52.59 2ql8 s ASP 3 Cb 0.00 -2.41 1.98 0.00 -1.46 0.00 0.00 42.92 41.03 2ql8 s ASP 3 CO 0.00 -0.88 2.23 1.05 0.52 0.00 0.00 175.17 178.09 2ql8 h GLU 4 N 8.78 0.00 0.00 4.34 4.11 -2.08 -2.42 114.58 127.31 2ql8 h GLU 4 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2ql8 h GLU 4 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2ql8 h GLU 4 CO 0.96 0.02 0.00 0.00 0.07 0.00 0.00 179.01 180.06 2ql8 h ARG 5 N 0.00 0.00 0.00 1.06 3.08 -2.02 -0.17 114.38 116.33 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 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2ql8 h ARG 5 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 2ql8 n TRP 6 N -2.99 0.00 0.16 3.04 7.02 -0.91 -4.43 117.44 119.32 2ql8 n TRP 6 Ca -0.01 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.33 2ql8 n TRP 6 Cb 0.17 -0.44 -0.08 0.00 -2.42 0.00 0.00 31.31 28.54 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 0.00 -0.32 -2.13 -0.99 2.35 -1.22 -3.37 115.58 109.90 2ql8 h ASN 7 Ca 0.00 -0.11 -0.58 0.00 -0.55 0.00 0.00 56.30 55.07 2ql8 h ASN 7 Cb 0.37 0.08 -0.40 0.00 0.05 0.00 0.00 38.32 38.42 2ql8 h ASN 7 CO 0.00 -0.08 -0.95 1.41 -1.65 0.00 0.00 177.43 176.17 2ql8 n HIS 8 N -5.17 0.69 -1.59 1.19 8.25 -1.26 -5.12 115.22 112.20 2ql8 n HIS 8 Ca -0.10 -3.71 -0.29 0.00 -0.26 0.00 0.00 57.72 53.36 2ql8 n HIS 8 Cb 0.22 -0.35 0.11 0.00 1.12 0.00 0.00 29.99 31.10 2ql8 n HIS 8 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ql8 s PRO 9 N -1.37 1.61 0.21 -0.41 0.04 -1.26 -4.97 135.00 128.85 2ql8 s PRO 9 Ca 0.36 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.77 2ql8 s PRO 9 Cb 0.14 -1.88 0.17 0.00 0.04 0.00 0.00 34.50 32.97 2ql8 s PRO 9 CO -0.10 -1.90 1.55 -0.07 0.04 0.00 0.00 177.00 176.53 2ql8 h LEU 10 N -1.28 0.60 -7.00 -3.56 3.38 -1.99 -3.46 115.31 102.00 2ql8 h LEU 10 Ca -0.49 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.17 2ql8 h LEU 10 Cb 1.31 -0.17 -0.21 0.00 0.09 0.00 0.00 40.66 41.68 2ql8 h LEU 10 CO 0.62 0.98 0.22 -0.47 0.09 0.00 0.00 178.44 179.88 2ql8 s TYR 11 N -4.13 -0.67 0.06 1.13 5.04 -1.26 -5.17 117.35 112.34 2ql8 s TYR 11 Ca -0.07 1.43 0.02 0.00 -2.44 0.00 0.00 57.07 56.00 2ql8 s TYR 11 Cb 0.12 0.35 -0.03 0.00 0.35 0.00 0.00 41.96 42.75 2ql8 s TYR 11 CO 0.83 -0.45 -0.07 0.95 -1.34 0.00 0.00 175.55 175.48 2ql8 s THR 12 N -0.37 0.51 0.19 4.34 -4.23 -1.26 -5.17 115.64 109.64 2ql8 s THR 12 Ca -0.04 -1.35 -0.09 0.00 -1.18 0.00 0.00 61.69 59.03 2ql8 s THR 12 Cb -0.03 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 2ql8 s THR 12 CO 0.04 -0.58 0.30 0.28 -0.54 0.00 0.00 174.62 174.12 2ql8 s THR 13 N -2.20 0.04 0.00 3.99 -1.32 -1.26 -5.17 115.64 109.72 2ql8 s THR 13 Ca -0.03 -1.47 0.03 0.00 -1.21 0.00 0.00 61.69 59.00 2ql8 s THR 13 Cb -0.04 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.94 2ql8 s THR 13 CO -0.02 -0.20 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.21 2ql8 s THR 14 N -4.00 0.68 -0.00 5.08 2.01 -1.26 -5.15 115.64 113.00 2ql8 s THR 14 Ca 0.21 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.80 2ql8 s THR 14 Cb 0.03 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2ql8 s THR 14 CO 0.03 0.12 -0.17 0.00 -0.69 0.00 0.00 174.62 173.92 2ql8 s ALA 15 N -0.35 1.39 -0.02 7.40 0.00 -1.26 -3.99 121.76 124.93 2ql8 s ALA 15 Ca 0.02 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2ql8 s ALA 15 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2ql8 s ALA 15 CO -0.00 0.33 -0.18 0.42 0.00 0.00 0.00 175.76 176.33 2ql8 s ILE 16 N -0.48 1.39 -0.19 0.00 1.01 0.16 -4.98 121.20 118.11 2ql8 s ILE 16 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2ql8 s ILE 16 Cb -0.07 -1.16 0.06 0.00 0.01 0.00 0.00 42.46 41.30 2ql8 s ILE 16 CO -0.00 0.39 0.01 0.21 0.00 0.00 0.00 174.94 175.55 2ql8 s ASN 17 N -0.38 3.04 -0.14 3.58 3.84 -1.26 -1.12 114.94 122.51 2ql8 s ASN 17 Ca 0.06 -0.85 0.17 0.00 0.21 0.00 0.00 52.86 52.45 2ql8 s ASN 17 Cb -0.07 -0.75 0.30 0.00 -0.55 0.00 0.00 41.25 40.18 2ql8 s ASN 17 CO -0.00 -0.27 1.16 -0.90 -2.79 0.00 0.00 177.10 174.29 2ql8 n ASP 18 N 4.95 2.09 -4.68 -4.21 5.68 -1.26 -5.08 116.55 114.04 2ql8 n ASP 18 Ca -0.10 -3.18 -0.29 0.00 -0.50 0.00 0.00 54.79 50.73 2ql8 n ASP 18 Cb 0.47 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 39.92 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 -2.76 2.06 1.07 0.11 2.02 -1.26 -5.10 118.70 114.83 2ql8 s GLU 19 Ca 0.32 -2.14 -0.12 0.00 0.02 0.00 0.00 54.97 53.04 2ql8 s GLU 19 Cb 0.28 -1.67 0.23 0.00 0.10 0.00 0.00 34.13 33.07 2ql8 s GLU 19 CO 0.01 -0.15 1.06 -1.21 0.02 0.00 0.00 175.26 174.99 2ql8 s GLU 20 N -3.79 -0.18 0.25 1.61 2.02 -1.26 -4.92 118.70 112.43 2ql8 s GLU 20 Ca 0.29 0.97 -0.03 0.00 0.02 0.00 0.00 54.97 56.23 2ql8 s GLU 20 Cb 0.07 -1.63 0.48 0.00 0.10 0.00 0.00 34.13 33.15 2ql8 s GLU 20 CO 0.15 -3.26 1.76 1.25 0.02 0.00 0.00 175.26 175.18 2ql8 h LEU 21 N -2.30 0.50 -8.11 1.80 5.85 -2.00 -2.57 115.31 108.48 2ql8 h LEU 21 Ca -0.56 0.09 -0.63 0.00 0.84 0.00 0.00 57.88 57.61 2ql8 h LEU 21 Cb 1.31 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.21 2ql8 h LEU 21 CO 0.49 0.23 1.01 -1.61 -0.34 0.00 0.00 178.44 178.22 2ql8 s GLU 22 N -5.99 3.46 0.00 1.25 0.41 -1.26 -3.40 118.70 113.16 2ql8 s GLU 22 Ca -0.12 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 2ql8 s GLU 22 Cb 0.21 -4.84 0.00 0.00 -1.78 0.00 0.00 34.13 27.71 2ql8 s GLU 22 CO 0.78 -1.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.00 2ql8 n GLY 23 N 5.89 3.84 3.29 -1.39 0.00 -0.72 -5.01 105.19 111.09 2ql8 n GLY 23 Ca 0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.46 -0.15 0.08 1.61 3.76 -1.26 -0.86 115.29 118.93 2ql8 s HIS 24 Ca 0.00 -0.06 0.06 0.00 -0.15 0.00 0.00 55.06 54.91 2ql8 s HIS 24 Cb 0.00 0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.83 2ql8 s HIS 24 CO 0.00 -0.60 -0.16 0.00 -0.85 0.00 0.00 174.74 173.12 2ql8 s ALA 25 N -3.17 1.40 0.04 -1.40 0.00 -0.44 -4.46 121.76 113.73 2ql8 s ALA 25 Ca -0.01 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 2ql8 s ALA 25 Cb 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2ql8 s ALA 25 CO -0.07 0.22 0.37 1.52 0.00 0.00 0.00 175.76 177.80 2ql8 s TYR 26 N -1.30 -0.20 -0.26 0.00 1.13 -0.27 -0.85 117.35 115.60 2ql8 s TYR 26 Ca 0.01 0.13 -0.14 0.00 -1.41 0.00 0.00 57.07 55.66 2ql8 s TYR 26 Cb -0.10 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 2ql8 s TYR 26 CO 0.03 -0.54 0.34 0.42 -2.51 0.00 0.00 175.55 173.29 2ql8 s ILE 27 N -2.48 5.21 0.02 -3.49 -1.09 0.44 -0.66 121.20 119.15 2ql8 s ILE 27 Ca -0.05 0.51 -0.34 0.00 -2.23 0.00 0.00 60.65 58.54 2ql8 s ILE 27 Cb -0.01 -3.67 -0.13 0.00 -1.58 0.00 0.00 42.46 37.08 2ql8 s ILE 27 CO -0.03 0.20 1.75 -2.65 -1.23 0.00 0.00 174.94 172.98 2ql8 n PRO 28 N 5.10 2.16 -0.96 2.79 -0.02 -1.26 -0.22 135.00 142.59 2ql8 n PRO 28 Ca -0.10 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2ql8 n PRO 28 Cb 0.51 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.97 0.55 0.00 -1.23 0.00 -1.26 -4.93 105.19 102.29 2ql8 n GLY 29 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.14 5.62 3.73 -0.02 0.00 0.70 -5.11 105.19 107.97 2ql8 n GLY 30 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 4.37 -0.09 0.99 2.96 -1.26 -4.59 118.68 121.06 2ql8 s LEU 31 Ca 0.00 2.77 0.04 0.00 -0.22 0.00 0.00 54.13 56.71 2ql8 s LEU 31 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2ql8 s LEU 31 CO 0.00 -0.84 -0.21 -0.75 -1.32 0.00 0.00 176.35 173.23 2ql8 s LYS 32 N 0.25 2.98 0.00 1.98 2.20 -1.26 -0.42 119.74 125.48 2ql8 s LYS 32 Ca 0.66 -0.83 0.08 0.00 -0.36 0.00 0.00 55.97 55.51 2ql8 s LYS 32 Cb -0.45 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 2ql8 s LYS 32 CO 0.39 0.26 -0.25 0.14 -0.36 0.00 0.00 175.35 175.53 2ql8 s VAL 33 N 0.17 1.98 0.24 4.02 -7.23 -0.03 -5.00 120.40 114.56 2ql8 s VAL 33 Ca -0.12 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 2ql8 s VAL 33 Cb -0.16 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 2ql8 s VAL 33 CO 0.07 0.47 1.11 -1.58 -0.31 0.00 0.00 175.10 174.86 2ql8 s GLN 34 N -0.81 4.61 0.21 4.82 0.74 -1.26 -1.32 119.66 126.65 2ql8 s GLN 34 Ca 0.10 1.79 0.09 0.00 0.05 0.00 0.00 55.36 57.39 2ql8 s GLN 34 Cb -0.10 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 2ql8 s GLN 34 CO 0.00 0.14 -0.18 0.95 -0.55 0.00 0.00 175.29 175.66 2ql8 s THR 35 N -0.77 2.00 0.10 -0.34 -4.23 -0.04 -0.71 115.64 111.64 2ql8 s THR 35 Ca 0.47 -2.17 -0.23 0.00 -1.18 0.00 0.00 61.69 58.58 2ql8 s THR 35 Cb -0.31 -2.06 0.06 0.00 1.34 0.00 0.00 72.50 71.53 2ql8 s THR 35 CO 0.39 -0.43 0.57 -0.55 -0.54 0.00 0.00 174.62 174.05 2ql8 s SER 36 N -3.14 -0.51 0.31 3.99 0.15 -0.40 -1.75 113.70 112.35 2ql8 s SER 36 Ca 0.22 0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.70 2ql8 s SER 36 Cb -0.04 0.55 -0.11 0.00 -1.71 0.00 0.00 66.02 64.71 2ql8 s SER 36 CO 0.09 -0.84 1.50 -0.55 1.20 0.00 0.00 173.24 174.64 2ql8 s SER 37 N -2.33 6.48 -0.36 5.45 0.15 -1.26 -4.51 113.70 117.32 2ql8 s SER 37 Ca -0.02 2.88 -0.04 0.00 0.70 0.00 0.00 55.95 59.47 2ql8 s SER 37 Cb -0.00 -2.64 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 2ql8 s SER 37 CO -0.07 -0.81 1.89 -0.81 1.20 0.00 0.00 173.24 174.64 2ql8 n PRO 38 N 1.64 1.27 0.00 5.44 -0.04 -1.26 -4.77 135.00 137.28 2ql8 n PRO 38 Ca 0.05 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 2ql8 n PRO 38 Cb 0.39 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 3.56 0.00 -1.51 3.54 0.23 -1.26 -5.06 115.26 114.77 2ql8 n ASN 40 Ca 0.27 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.42 2ql8 n ASN 40 Cb 0.26 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.30 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 4.45 -4.75 0.53 8.00 -1.26 -4.98 116.55 118.54 2ql8 n ASP 41 Ca 0.00 -2.35 -0.34 0.00 0.71 0.00 0.00 54.79 52.81 2ql8 n ASP 41 Cb 0.00 -0.55 0.06 0.00 -0.02 0.00 0.00 41.12 40.60 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 -1.70 2.41 0.53 1.24 3.76 -1.26 -4.97 115.29 115.29 2ql8 s HIS 42 Ca 0.49 1.56 -0.22 0.00 -0.15 0.00 0.00 55.06 56.74 2ql8 s HIS 42 Cb 0.30 -3.31 -0.05 0.00 1.11 0.00 0.00 32.58 30.63 2ql8 s HIS 42 CO 0.25 -2.03 1.35 -2.14 -0.85 0.00 0.00 174.74 171.31 2ql8 s PRO 43 N -3.86 3.25 0.00 8.40 0.02 -1.26 -4.93 135.00 136.62 2ql8 s PRO 43 Ca 0.71 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2ql8 s PRO 43 Cb -0.25 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2ql8 s PRO 43 CO 0.40 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 2ql8 n GLY 44 N 0.69 3.97 0.58 0.52 0.00 -1.26 -4.44 105.19 105.24 2ql8 n GLY 44 Ca 0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.57 0.00 -3.83 2.61 5.66 0.11 -4.44 114.28 112.82 2ql8 n THR 45 Ca 0.00 -0.22 -0.06 0.00 -3.05 0.00 0.00 64.05 60.72 2ql8 n THR 45 Cb 0.00 -1.45 -0.02 0.00 -1.55 0.00 0.00 70.33 67.32 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 -1.64 -0.22 0.40 1.09 2.20 -1.26 -1.27 114.94 114.24 2ql8 s ASN 46 Ca 0.10 -0.60 0.07 0.00 -0.94 0.00 0.00 52.86 51.49 2ql8 s ASN 46 Cb -0.01 0.68 0.83 0.00 -2.00 0.00 0.00 41.25 40.75 2ql8 s ASN 46 CO 0.07 -1.26 2.05 -0.65 -2.94 0.00 0.00 177.10 174.36 2ql8 h PRO 47 N 2.00 0.57 0.13 3.55 0.11 -1.99 -0.73 132.00 135.63 2ql8 h PRO 47 Ca -0.21 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2ql8 h PRO 47 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ql8 h PRO 47 CO 0.25 0.38 -0.06 0.93 -0.21 0.00 0.00 178.00 179.29 2ql8 h GLU 48 N 0.58 -0.16 -0.28 1.05 3.07 -1.97 -0.38 114.58 116.48 2ql8 h GLU 48 Ca 0.16 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2ql8 h GLU 48 Cb -0.05 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2ql8 h GLU 48 CO -0.03 -0.01 0.13 1.96 -1.40 0.00 0.00 179.01 179.66 2ql8 h GLN 49 N -0.28 0.28 -0.67 2.33 4.20 -1.88 -1.31 115.11 117.77 2ql8 h GLN 49 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2ql8 h GLN 49 Cb 0.23 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2ql8 h GLN 49 CO 0.03 0.18 0.23 -0.07 -0.67 0.00 0.00 178.83 178.53 2ql8 h LEU 50 N 0.28 0.93 -0.44 1.46 3.38 -1.03 0.85 115.31 120.74 2ql8 h LEU 50 Ca 0.12 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2ql8 h LEU 50 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2ql8 h LEU 50 CO -0.08 0.85 0.06 0.25 0.09 0.00 0.00 178.44 179.60 2ql8 h LEU 51 N 0.97 0.71 -0.56 1.67 5.85 -0.94 -0.74 115.31 122.27 2ql8 h LEU 51 Ca 0.22 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2ql8 h LEU 51 Cb 0.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2ql8 h LEU 51 CO -0.01 0.80 0.35 1.23 -0.34 0.00 0.00 178.44 180.46 2ql8 h GLY 52 N 0.59 0.79 0.88 3.75 0.00 -0.72 0.02 103.07 108.38 2ql8 h GLY 52 Ca 0.13 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.22 2ql8 h GLY 52 CO 0.01 0.23 0.41 1.41 0.00 0.00 0.00 176.54 178.61 2ql8 h LEU 53 N 0.69 0.68 0.31 3.11 3.38 -0.65 -0.63 115.31 122.21 2ql8 h LEU 53 Ca 0.22 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2ql8 h LEU 53 Cb -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2ql8 h LEU 53 CO -0.08 0.47 -0.15 -1.28 0.09 0.00 0.00 178.44 177.49 2ql8 h SER 54 N 0.81 -0.35 -0.33 -0.43 0.87 -0.68 -2.30 113.55 111.13 2ql8 h SER 54 Ca 0.26 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2ql8 h SER 54 Cb 0.01 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2ql8 h SER 54 CO -0.10 -0.21 -0.20 0.25 -0.53 0.00 0.00 176.83 176.03 2ql8 h LEU 55 N -0.47 0.75 -0.92 2.23 5.85 -0.96 -0.92 115.31 120.87 2ql8 h LEU 55 Ca -0.04 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2ql8 h LEU 55 Cb 0.36 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2ql8 h LEU 55 CO 0.07 1.01 0.57 0.77 -0.34 0.00 0.00 178.44 180.52 2ql8 h SER 56 N 0.48 1.09 -0.36 1.25 4.64 -1.18 0.80 113.55 120.28 2ql8 h SER 56 Ca 0.07 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2ql8 h SER 56 Cb 0.75 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2ql8 h SER 56 CO 0.06 0.82 -0.07 0.74 -0.87 0.00 0.00 176.83 177.51 2ql8 h THR 57 N 1.26 1.27 -0.30 2.95 2.02 -1.29 -1.00 112.91 117.83 2ql8 h THR 57 Ca 0.33 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 2ql8 h THR 57 Cb -0.08 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2ql8 h THR 57 CO -0.07 0.37 -0.00 0.00 0.37 0.00 0.00 175.52 176.19 2ql8 h LEU 59 N 0.32 0.63 -0.70 0.00 3.38 -0.82 -1.10 115.31 117.02 2ql8 h LEU 59 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2ql8 h LEU 59 Cb 0.44 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2ql8 h LEU 59 CO 0.02 0.52 0.30 -0.08 0.09 0.00 0.00 178.44 179.29 2ql8 h GLU 60 N 0.68 1.03 -0.65 1.13 4.57 -1.05 0.49 114.58 120.77 2ql8 h GLU 60 Ca 0.18 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2ql8 h GLU 60 Cb 0.02 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 2ql8 h GLU 60 CO -0.03 0.83 0.24 0.00 -1.18 0.00 0.00 179.01 178.87 2ql8 h ALA 61 N 1.14 0.84 -0.46 2.92 0.00 -0.86 -0.83 119.26 122.01 2ql8 h ALA 61 Ca 0.24 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ql8 h ALA 61 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ql8 h ALA 61 CO -0.02 0.48 0.06 1.15 0.00 0.00 0.00 179.25 180.92 2ql8 h THR 62 N 0.92 1.25 -0.78 0.00 2.02 -0.89 -2.49 112.91 112.94 2ql8 h THR 62 Ca 0.21 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.47 2ql8 h THR 62 Cb 0.23 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2ql8 h THR 62 CO -0.01 0.33 0.51 0.25 0.37 0.00 0.00 175.52 176.97 2ql8 h LEU 63 N 0.63 0.90 -0.74 2.58 5.85 -0.64 -1.24 115.31 122.66 2ql8 h LEU 63 Ca 0.14 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2ql8 h LEU 63 Cb 0.41 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2ql8 h LEU 63 CO 0.01 0.66 0.47 -0.08 -0.34 0.00 0.00 178.44 179.16 2ql8 h GLU 64 N 1.06 0.89 -0.54 1.25 4.81 -0.94 0.14 114.58 121.25 2ql8 h GLU 64 Ca 0.29 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2ql8 h GLU 64 Cb -0.12 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 2ql8 h GLU 64 CO -0.06 0.59 0.14 0.00 -0.73 0.00 0.00 179.01 178.95 2ql8 h ALA 65 N 1.31 0.71 -0.44 2.92 0.00 -0.94 -2.09 119.26 120.72 2ql8 h ALA 65 Ca 0.29 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2ql8 h ALA 65 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2ql8 h ALA 65 CO -0.11 0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.72 2ql8 h VAL 66 N 0.75 1.27 -0.34 0.00 2.07 -0.68 -0.97 116.25 118.36 2ql8 h VAL 66 Ca 0.17 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2ql8 h VAL 66 Cb 0.32 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2ql8 h VAL 66 CO 0.00 0.41 0.15 -0.33 0.02 0.00 0.00 177.57 177.82 2ql8 h GLU 67 N 0.68 0.31 -0.77 1.57 5.08 -0.66 -2.14 114.58 118.64 2ql8 h GLU 67 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2ql8 h GLU 67 Cb 0.63 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2ql8 h GLU 67 CO 0.04 0.20 0.49 -0.22 -1.00 0.00 0.00 179.01 178.52 2ql8 h LYS 68 N 0.32 1.03 0.00 2.33 1.63 -1.11 -0.90 116.57 119.87 2ql8 h LYS 68 Ca 0.14 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2ql8 h LYS 68 Cb 0.08 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 2ql8 h LYS 68 CO -0.12 0.71 -0.01 0.93 -3.45 0.00 0.00 179.45 177.51 2ql8 h GLU 69 N 1.05 0.00 -0.42 1.90 5.08 -0.77 -0.53 114.58 120.89 2ql8 h GLU 69 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2ql8 h GLU 69 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2ql8 h GLU 69 CO -0.06 0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.68 2ql8 n HIS 70 N -3.95 0.54 -2.32 4.33 8.25 -0.61 -4.97 115.22 116.49 2ql8 n HIS 70 Ca -0.03 -0.27 -0.17 0.00 -0.26 0.00 0.00 57.72 56.99 2ql8 n HIS 70 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 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 1.40 -0.32 3.61 -1.41 0.00 -0.21 -5.01 105.19 103.25 2ql8 n GLY 71 Ca 0.19 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.79 3.13 0.83 0.99 1.43 -0.44 -5.01 118.68 114.82 2ql8 s LEU 72 Ca 0.00 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2ql8 s LEU 72 Cb -0.00 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.47 2ql8 s LEU 72 CO 0.00 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.63 2ql8 s PRO 73 N -2.67 1.81 -0.68 1.29 0.04 -1.26 -3.89 135.00 129.63 2ql8 s PRO 73 Ca 0.25 0.83 -0.27 0.00 0.04 0.00 0.00 61.00 61.84 2ql8 s PRO 73 Cb -0.10 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2ql8 s PRO 73 CO 0.16 -1.86 1.35 -1.58 0.04 0.00 0.00 177.00 175.10 2ql8 s HIS 74 N -3.01 2.27 -0.02 0.56 2.46 -1.26 -4.76 115.29 111.53 2ql8 s HIS 74 Ca 0.62 0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.34 2ql8 s HIS 74 Cb -0.16 -4.52 0.00 0.00 -0.13 0.00 0.00 32.58 27.77 2ql8 s HIS 74 CO 0.56 -2.01 0.86 0.25 -2.47 0.00 0.00 174.74 171.92 2ql8 n THR 75 N 6.58 0.70 -2.15 0.89 -2.24 -1.26 -5.07 114.28 111.73 2ql8 n THR 75 Ca 0.07 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.68 2ql8 n THR 75 Cb 0.49 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.71 1.84 -0.03 3.38 0.00 -1.26 -2.65 107.32 107.90 2ql8 s GLY 76 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.63 2ql8 s GLY 76 CO 0.00 0.28 0.23 0.00 0.00 0.00 0.00 173.10 173.62 2ql8 s ALA 77 N -2.90 -0.58 -0.05 3.20 0.00 -1.26 -4.99 121.76 115.18 2ql8 s ALA 77 Ca 0.56 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.79 2ql8 s ALA 77 Cb -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2ql8 s ALA 77 CO 0.43 -0.21 -0.10 0.08 0.00 0.00 0.00 175.76 175.96 2ql8 s VAL 78 N -1.03 0.91 -0.09 0.00 1.01 -1.26 -4.41 120.40 115.53 2ql8 s VAL 78 Ca -0.11 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2ql8 s VAL 78 Cb -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2ql8 s VAL 78 CO 0.02 0.30 -0.19 -0.60 0.00 0.00 0.00 175.10 174.63 2ql8 s ARG 79 N 0.59 2.97 -0.16 2.72 3.52 -0.24 -4.93 118.95 123.42 2ql8 s ARG 79 Ca -0.11 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2ql8 s ARG 79 Cb -0.14 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2ql8 s ARG 79 CO 0.02 0.30 -0.17 0.08 -0.81 0.00 0.00 175.30 174.72 2ql8 s VAL 80 N 0.07 2.46 -0.08 7.11 1.01 -1.26 0.01 120.40 129.72 2ql8 s VAL 80 Ca -0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 2ql8 s VAL 80 Cb -0.15 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2ql8 s VAL 80 CO 0.05 0.52 0.37 -0.54 0.00 0.00 0.00 175.10 175.50 2ql8 s LYS 81 N 0.89 4.06 -0.07 2.72 1.02 0.30 -4.90 119.74 123.76 2ql8 s LYS 81 Ca -0.04 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.25 2ql8 s LYS 81 Cb -0.15 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 2ql8 s LYS 81 CO -0.02 0.46 -0.10 0.08 -0.92 0.00 0.00 175.35 174.84 2ql8 s VAL 82 N -0.28 1.04 -0.00 3.17 1.01 -1.26 -0.75 120.40 123.33 2ql8 s VAL 82 Ca 0.21 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2ql8 s VAL 82 Cb -0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2ql8 s VAL 82 CO 0.09 0.34 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 2ql8 s ALA 83 N 0.92 2.84 -0.21 5.51 0.00 -0.20 -4.97 121.76 125.66 2ql8 s ALA 83 Ca -0.10 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 2ql8 s ALA 83 Cb -0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2ql8 s ALA 83 CO 0.01 0.59 0.02 0.12 0.00 0.00 0.00 175.76 176.50 2ql8 s PHE 84 N -0.91 3.06 0.12 0.00 5.36 -1.26 -0.89 117.98 123.46 2ql8 s PHE 84 Ca 0.15 -0.45 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 2ql8 s PHE 84 Cb -0.11 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 2ql8 s PHE 84 CO 0.05 -0.27 -0.09 0.96 -1.46 0.00 0.00 175.22 174.41 2ql8 s ILE 85 N 1.17 0.95 0.00 3.12 -4.36 -0.50 -5.02 121.20 116.56 2ql8 s ILE 85 Ca 0.03 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 2ql8 s ILE 85 Cb -0.14 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.81 2ql8 s ILE 85 CO 0.02 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 175.01 2ql8 n GLY 86 N -0.10 0.25 3.73 6.27 0.00 -1.26 -1.11 105.19 112.97 2ql8 n GLY 86 Ca -0.11 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.61 -0.13 4.61 0.00 -1.06 -4.94 121.76 117.63 2ql8 s ALA 87 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 51.96 50.84 2ql8 s ALA 87 Cb 0.00 0.91 -0.19 0.00 0.00 0.00 0.00 23.12 23.84 2ql8 s ALA 87 CO 0.00 -0.95 1.32 -2.13 0.00 0.00 0.00 175.76 174.00 2ql8 n ARG 88 N -0.46 0.34 -1.06 0.00 0.63 -1.26 0.04 116.66 114.89 2ql8 n ARG 88 Ca -0.04 0.12 -0.02 0.00 -0.92 0.00 0.00 57.85 57.00 2ql8 n ARG 88 Cb 0.60 -1.67 -0.01 0.00 0.45 0.00 0.00 32.46 31.83 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 2.71 -0.03 -2.77 5.13 0.00 -1.26 -4.78 120.51 119.51 2ql8 n ALA 89 Ca 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2ql8 n ALA 89 Cb 0.07 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.27 1.51 -3.76 0.00 -0.58 0.11 -5.11 120.64 112.53 2ql8 n GLU 90 Ca -0.02 -3.04 -0.34 0.00 -0.42 0.00 0.00 57.16 53.35 2ql8 n GLU 90 Cb 0.40 -1.15 -0.05 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.87 3.55 0.06 -0.32 2.02 -1.13 -2.55 117.35 116.10 2ql8 s TYR 91 Ca 0.24 0.53 -0.03 0.00 -0.37 0.00 0.00 57.07 57.45 2ql8 s TYR 91 Cb 0.38 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2ql8 s TYR 91 CO -0.04 0.58 0.01 -0.65 -1.57 0.00 0.00 175.55 173.88 2ql8 s GLN 92 N -2.03 0.66 -0.01 -0.62 -0.21 -0.27 -5.01 119.66 112.17 2ql8 s GLN 92 Ca 0.31 -1.17 0.03 0.00 0.02 0.00 0.00 55.36 54.55 2ql8 s GLN 92 Cb -0.13 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.08 2ql8 s GLN 92 CO 0.19 -0.14 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.10 2ql8 s PHE 93 N -3.90 2.90 -0.01 0.91 0.08 -1.26 -1.42 117.98 115.28 2ql8 s PHE 93 Ca 0.07 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.11 2ql8 s PHE 93 Cb 0.07 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 2ql8 s PHE 93 CO -0.10 0.37 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.83 2ql8 s LEU 94 N -1.32 3.29 -0.06 -0.37 1.43 -0.07 -4.88 118.68 116.70 2ql8 s LEU 94 Ca 0.16 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2ql8 s LEU 94 Cb -0.11 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2ql8 s LEU 94 CO 0.06 0.30 -0.10 -0.69 0.23 0.00 0.00 176.35 176.15 2ql8 s VAL 95 N -1.00 0.97 -0.13 -1.59 1.01 -0.12 -1.03 120.40 118.51 2ql8 s VAL 95 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2ql8 s VAL 95 Cb -0.11 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.40 2ql8 s VAL 95 CO 0.07 0.32 -0.00 -2.28 0.00 0.00 0.00 175.10 173.21 2ql8 s HIS 96 N 0.71 1.03 -0.08 5.22 5.04 0.07 -1.47 115.29 125.82 2ql8 s HIS 96 Ca -0.14 -0.59 -0.09 0.00 -1.54 0.00 0.00 55.06 52.70 2ql8 s HIS 96 Cb -0.15 -1.00 -0.05 0.00 0.04 0.00 0.00 32.58 31.42 2ql8 s HIS 96 CO 0.03 -0.48 0.23 0.00 -2.34 0.00 0.00 174.74 172.17 2ql8 s ALA 97 N 1.85 3.82 -0.08 1.58 0.00 0.05 -0.54 121.76 128.45 2ql8 s ALA 97 Ca 0.02 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2ql8 s ALA 97 Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2ql8 s ALA 97 CO -0.07 0.58 -0.16 -0.65 0.00 0.00 0.00 175.76 175.46 2ql8 s GLN 98 N -1.09 2.16 0.46 0.00 -0.21 0.10 -0.98 119.66 120.10 2ql8 s GLN 98 Ca 0.18 -0.57 0.04 0.00 0.02 0.00 0.00 55.36 55.04 2ql8 s GLN 98 Cb -0.13 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 2ql8 s GLN 98 CO 0.08 0.05 0.01 0.08 -2.12 0.00 0.00 175.29 173.39 2ql8 s VAL 99 N 0.64 1.54 -0.31 1.09 1.01 -0.42 -1.07 120.40 122.88 2ql8 s VAL 99 Ca -0.14 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.71 2ql8 s VAL 99 Cb -0.16 -2.56 0.19 0.00 0.00 0.00 0.00 36.38 33.84 2ql8 s VAL 99 CO 0.04 0.00 1.09 -0.69 0.00 0.00 0.00 175.10 175.54 2ql8 s VAL 101 N -2.81 -0.16 0.36 2.92 1.01 -1.26 -0.83 120.40 119.63 2ql8 s VAL 101 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.27 2ql8 s VAL 101 Cb 0.06 -0.10 0.11 0.00 0.00 0.00 0.00 36.38 36.45 2ql8 s VAL 101 CO 0.10 0.00 1.84 0.50 0.00 0.00 0.00 175.10 177.54 2ql8 h LYS 102 N 6.45 0.17 0.00 2.72 1.63 -1.89 -2.92 116.57 122.73 2ql8 h LYS 102 Ca -0.08 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2ql8 h LYS 102 Cb 1.20 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2ql8 h LYS 102 CO -0.11 0.43 0.00 0.41 -3.45 0.00 0.00 179.45 176.73 2ql8 n GLY 103 N -0.60 -1.00 3.21 5.01 0.00 -1.26 -4.89 105.19 105.66 2ql8 n GLY 103 Ca -0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.42 0.61 0.91 1.61 -7.23 -1.10 -5.12 120.40 107.67 2ql8 s VAL 104 Ca 0.27 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2ql8 s VAL 104 Cb 0.16 -1.97 0.14 0.00 0.56 0.00 0.00 36.38 35.27 2ql8 s VAL 104 CO 0.35 -0.60 1.10 1.51 -0.31 0.00 0.00 175.10 177.14 2ql8 s ASP 105 N -3.12 3.20 0.22 4.85 1.47 -1.26 -4.74 116.67 117.29 2ql8 s ASP 105 Ca 0.20 1.72 -0.07 0.00 1.18 0.00 0.00 52.55 55.58 2ql8 s ASP 105 Cb 0.06 -2.35 0.17 0.00 -0.34 0.00 0.00 42.92 40.46 2ql8 s ASP 105 CO 0.01 -2.85 1.75 0.15 0.68 0.00 0.00 175.17 174.91 2ql8 h PHE 106 N -1.69 1.16 -0.55 2.11 3.57 -1.99 -0.31 116.94 119.24 2ql8 h PHE 106 Ca -0.49 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 60.85 2ql8 h PHE 106 Cb 1.28 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2ql8 h PHE 106 CO 0.45 0.92 0.16 -0.44 -2.23 0.00 0.00 178.31 177.17 2ql8 h ASP 107 N 1.07 0.77 -0.32 0.41 3.32 -1.99 0.44 116.42 120.12 2ql8 h ASP 107 Ca 0.23 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2ql8 h ASP 107 Cb 0.32 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2ql8 h ASP 107 CO -0.00 0.73 -0.15 0.74 -1.72 0.00 0.00 179.24 178.84 2ql8 h THR 108 N 0.80 1.29 -0.94 0.35 2.02 -1.78 -1.58 112.91 113.08 2ql8 h THR 108 Ca 0.18 -1.26 0.06 0.00 0.77 0.00 0.00 66.41 66.16 2ql8 h THR 108 Cb 0.25 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 2ql8 h THR 108 CO -0.01 0.41 0.60 0.00 0.37 0.00 0.00 175.52 176.89 2ql8 h ALA 109 N 0.77 1.29 -0.50 6.16 0.00 -0.61 -0.17 119.26 126.19 2ql8 h ALA 109 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2ql8 h ALA 109 Cb 0.68 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2ql8 h ALA 109 CO 0.05 0.38 0.06 0.87 0.00 0.00 0.00 179.25 180.60 2ql8 h LYS 110 N 1.09 0.85 -0.51 0.00 1.57 -0.78 -0.38 116.57 118.41 2ql8 h LYS 110 Ca 0.40 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2ql8 h LYS 110 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2ql8 h LYS 110 CO -0.17 0.85 0.28 0.00 -0.57 0.00 0.00 179.45 179.85 2ql8 h ALA 111 N 0.96 0.66 -0.59 3.86 0.00 -0.55 -0.74 119.26 122.87 2ql8 h ALA 111 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2ql8 h ALA 111 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2ql8 h ALA 111 CO 0.01 0.18 0.09 0.74 0.00 0.00 0.00 179.25 180.28 2ql8 h PHE 112 N 0.69 0.99 -0.50 0.00 -1.00 -0.83 -1.67 116.94 114.62 2ql8 h PHE 112 Ca 0.18 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.85 2ql8 h PHE 112 Cb 0.05 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 2ql8 h PHE 112 CO -0.02 0.85 0.32 1.15 -1.61 0.00 0.00 178.31 179.00 2ql8 h THR 113 N 0.89 1.11 -0.77 -1.55 2.02 -0.56 -1.00 112.91 113.05 2ql8 h THR 113 Ca 0.18 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2ql8 h THR 113 Cb 0.39 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2ql8 h THR 113 CO 0.01 0.12 0.49 0.78 0.37 0.00 0.00 175.52 177.29 2ql8 h ASN 114 N 0.66 0.89 -0.41 4.18 2.35 -0.77 -0.81 115.58 121.68 2ql8 h ASN 114 Ca 0.19 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2ql8 h ASN 114 Cb -0.06 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2ql8 h ASN 114 CO -0.05 0.67 0.17 -0.33 -1.65 0.00 0.00 177.43 176.24 2ql8 h GLU 115 N 1.04 0.60 -0.03 0.81 5.08 -0.90 -2.91 114.58 118.27 2ql8 h GLU 115 Ca 0.28 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 2ql8 h GLU 115 Cb -0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2ql8 h GLU 115 CO -0.06 0.55 -0.57 -0.84 -1.00 0.00 0.00 179.01 177.09 2ql8 h ILE 116 N 0.51 1.40 -0.94 3.13 3.07 -0.97 -2.84 117.51 120.87 2ql8 h ILE 116 Ca 0.14 -1.95 0.06 0.00 1.55 0.00 0.00 64.86 64.66 2ql8 h ILE 116 Cb 0.17 2.02 -0.06 0.00 -0.27 0.00 0.00 36.82 38.67 2ql8 h ILE 116 CO -0.01 0.56 0.61 -0.08 -1.05 0.00 0.00 178.15 178.18 2ql8 h GLU 117 N 0.08 1.06 0.00 0.16 4.81 -1.05 0.15 114.58 119.79 2ql8 h GLU 117 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2ql8 h GLU 117 Cb 1.04 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2ql8 h GLU 117 CO 0.08 0.70 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.13 2ql8 h ASN 118 N 1.09 0.00 0.00 1.04 2.35 -1.31 -3.38 115.58 115.36 2ql8 h ASN 118 Ca 0.40 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.00 2ql8 h ASN 118 Cb 0.17 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2ql8 h ASN 118 CO -0.15 0.00 -1.55 0.54 -1.65 0.00 0.00 177.43 174.62 2ql8 n ARG 119 N -2.52 2.59 -1.89 0.81 1.74 -0.88 -4.95 116.66 111.57 2ql8 n ARG 119 Ca 0.05 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 2ql8 n ARG 119 Cb 0.46 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 9.55 0.89 -0.37 0.00 0.11 -1.91 -0.58 132.00 139.70 2ql8 h PRO 121 Ca -0.43 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2ql8 h PRO 121 Cb 1.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2ql8 h PRO 121 CO 0.94 0.59 -0.24 0.28 -0.21 0.00 0.00 178.00 179.36 2ql8 h VAL 122 N 0.92 1.28 -0.53 3.15 2.07 -1.94 -1.90 116.25 119.30 2ql8 h VAL 122 Ca 0.48 -1.39 0.10 0.00 0.82 0.00 0.00 66.70 66.70 2ql8 h VAL 122 Cb 0.49 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 2ql8 h VAL 122 CO -0.27 0.46 0.07 -1.28 0.02 0.00 0.00 177.57 176.57 2ql8 h SER 123 N 0.61 -0.08 -0.78 0.57 0.87 -1.75 -2.06 113.55 110.92 2ql8 h SER 123 Ca 0.07 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2ql8 h SER 123 Cb 0.81 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2ql8 h SER 123 CO 0.07 -0.02 0.36 0.11 -0.53 0.00 0.00 176.83 176.82 2ql8 h LYS 124 N 0.19 1.15 -0.52 2.24 1.57 -0.89 -1.57 116.57 118.75 2ql8 h LYS 124 Ca 0.27 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2ql8 h LYS 124 Cb 0.39 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2ql8 h LYS 124 CO -0.38 0.90 0.34 -0.07 -0.57 0.00 0.00 179.45 179.67 2ql8 h LEU 125 N 1.14 0.58 0.00 2.94 3.38 -0.73 -2.83 115.31 119.78 2ql8 h LEU 125 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2ql8 h LEU 125 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ql8 h LEU 125 CO -0.03 0.41 -0.44 0.18 0.09 0.00 0.00 178.44 178.65 2ql8 n LEU 126 N -4.46 0.44 -0.23 1.67 4.77 -0.83 -4.50 117.00 113.87 2ql8 n LEU 126 Ca 0.05 0.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2ql8 n LEU 126 Cb 0.07 -0.28 0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2ql8 n LEU 126 CO 0.35 0.09 0.87 0.50 -1.33 0.00 0.00 177.39 177.88 2ql8 h LYS 127 N 0.00 0.17 -0.62 3.23 3.64 -1.04 -1.65 116.57 120.30 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 0.52 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2ql8 h LYS 127 CO 0.00 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 2ql8 n ASN 128 N -5.23 3.70 0.19 4.20 3.02 -1.26 -4.26 115.26 115.61 2ql8 n ASN 128 Ca 0.12 -2.24 0.07 0.00 -0.03 0.00 0.00 54.58 52.50 2ql8 n ASN 128 Cb 0.41 -0.48 0.32 0.00 -0.61 0.00 0.00 39.78 39.42 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 3.39 0.00 0.00 6.41 4.64 -1.58 -3.47 113.55 122.94 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 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2ql8 h SER 129 CO 0.13 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2ql8 n GLY 130 N 0.43 0.70 0.02 -0.77 0.00 -1.26 -4.85 105.19 99.46 2ql8 n GLY 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.03 1.65 -4.17 1.61 4.13 -1.26 -5.02 115.26 112.17 2ql8 n ASN 131 Ca 0.00 -1.63 -0.31 0.00 1.68 0.00 0.00 54.58 54.32 2ql8 n ASN 131 Cb 0.01 -0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.08 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 -0.63 2.49 0.15 3.10 5.04 -1.26 -0.95 117.35 125.29 2ql8 s TYR 132 Ca 0.01 -1.16 0.06 0.00 -2.44 0.00 0.00 57.07 53.54 2ql8 s TYR 132 Cb 0.00 -1.70 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 2ql8 s TYR 132 CO 0.00 -0.52 -0.13 0.95 -1.34 0.00 0.00 175.55 174.52 2ql8 s THR 133 N 0.67 1.38 -0.06 4.34 -4.23 -0.54 -5.01 115.64 112.19 2ql8 s THR 133 Ca -0.11 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 2ql8 s THR 133 Cb -0.16 -1.72 0.02 0.00 1.34 0.00 0.00 72.50 71.98 2ql8 s THR 133 CO 0.02 -0.53 0.16 -0.51 -0.54 0.00 0.00 174.62 173.22 2ql8 s ILE 134 N -2.60 -0.00 0.06 2.99 2.07 -1.26 -0.77 121.20 121.69 2ql8 s ILE 134 Ca 0.14 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.33 2ql8 s ILE 134 Cb -0.02 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 2ql8 s ILE 134 CO 0.03 0.00 0.09 -1.83 -1.91 0.00 0.00 174.94 171.32 2ql8 s GLU 135 N 0.12 0.70 -0.14 3.50 -1.05 -0.15 -4.96 118.70 116.71 2ql8 s GLU 135 Ca -0.00 -1.01 -0.11 0.00 -0.15 0.00 0.00 54.97 53.71 2ql8 s GLU 135 Cb -0.01 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 2ql8 s GLU 135 CO 0.00 -0.18 0.21 0.99 0.95 0.00 0.00 175.26 177.23 2ql8 s THR 136 N -3.59 5.37 0.27 1.83 2.01 -1.26 -1.30 115.64 118.97 2ql8 s THR 136 Ca 0.03 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.43 2ql8 s THR 136 Cb 0.05 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 2ql8 s THR 136 CO -0.09 0.50 0.04 0.68 -0.69 0.00 0.00 174.62 175.05 2ql8 s VAL 137 N -0.19 1.00 -0.59 3.82 -7.23 -0.01 -4.88 120.40 112.32 2ql8 s VAL 137 Ca 0.14 -2.02 0.15 0.00 -1.81 0.00 0.00 61.98 58.44 2ql8 s VAL 137 Cb -0.12 -2.55 -0.17 0.00 0.56 0.00 0.00 36.38 34.09 2ql8 s VAL 137 CO 0.03 -0.15 0.58 0.35 -0.31 0.00 0.00 175.10 175.60 2ql8 n THR 138 N -0.52 0.00 -3.81 5.32 -2.24 -1.26 -4.50 114.28 107.27 2ql8 n THR 138 Ca -0.03 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2ql8 n THR 138 Cb 0.65 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.79 2ql8 n THR 138 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2ql8 s ASP 139 N -2.58 0.03 -0.46 3.42 1.47 -1.26 -5.01 116.67 112.28 2ql8 s ASP 139 Ca 0.04 -1.15 0.04 0.00 1.18 0.00 0.00 52.55 52.65 2ql8 s ASP 139 Cb 0.11 0.82 0.53 0.00 -0.34 0.00 0.00 42.92 44.04 2ql8 s ASP 139 CO 0.61 -1.65 1.73 0.49 0.68 0.00 0.00 175.17 177.03 2ql8 n PHE 140 N -0.56 2.56 -2.11 2.11 3.72 -1.26 -5.01 117.46 116.91 2ql8 n PHE 140 Ca -0.08 -2.23 -0.34 0.00 -0.05 0.00 0.00 57.45 54.75 2ql8 n PHE 140 Cb 0.60 -0.91 0.01 0.00 -0.94 0.00 0.00 39.48 38.25 2ql8 n PHE 140 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2ql8 s LYS 141 N -3.50 3.21 0.00 -1.08 1.02 -1.26 -5.20 119.74 112.93 2ql8 s LYS 141 Ca 0.55 1.51 0.00 0.00 0.02 0.00 0.00 55.97 58.05 2ql8 s LYS 141 Cb 0.46 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.78 2ql8 s LYS 141 CO 0.03 -0.94 0.00 -0.25 -0.92 0.00 0.00 175.35 173.27