#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lup s LYS 2 N 0.00 0.16 -0.16 0.00 2.20 -1.26 -4.90 119.74 115.77 3lup s LYS 2 Ca 0.00 0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.80 3lup s LYS 2 Cb 0.00 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 3lup s LYS 2 CO 0.00 -0.21 0.06 -1.17 -0.36 0.00 0.00 175.35 173.67 3lup s LEU 3 N 2.96 3.81 0.03 5.43 2.96 -1.26 0.96 118.68 133.57 3lup s LEU 3 Ca 0.05 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3lup s LEU 3 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3lup s LEU 3 CO -0.14 0.23 0.09 0.00 -1.32 0.00 0.00 176.35 175.21 3lup s ALA 4 N 0.05 3.60 -0.19 5.97 0.00 -0.04 -4.89 121.76 126.26 3lup s ALA 4 Ca 0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3lup s ALA 4 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3lup s ALA 4 CO 0.01 0.72 -0.12 -0.51 0.00 0.00 0.00 175.76 175.86 3lup s LEU 5 N -2.03 2.55 -0.07 0.00 1.02 0.16 -1.38 118.68 118.93 3lup s LEU 5 Ca 0.26 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.96 3lup s LEU 5 Cb -0.12 -1.61 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 3lup s LEU 5 CO 0.18 0.03 -0.16 -0.63 0.02 0.00 0.00 176.35 175.79 3lup s ILE 6 N 1.17 2.88 0.22 -0.59 1.09 -0.61 0.98 121.20 126.33 3lup s ILE 6 Ca 0.02 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 3lup s ILE 6 Cb -0.14 -2.14 -0.00 0.00 -1.06 0.00 0.00 42.46 39.12 3lup s ILE 6 CO -0.05 0.57 0.28 1.07 -0.10 0.00 0.00 174.94 176.71 3lup n THR 7 N 2.77 0.00 -4.56 2.92 5.66 0.10 -0.02 114.28 121.16 3lup n THR 7 Ca -0.17 -1.23 -0.26 0.00 -3.05 0.00 0.00 64.05 59.34 3lup n THR 7 Cb 0.52 0.71 -0.10 0.00 -1.55 0.00 0.00 70.33 69.91 3lup n THR 7 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3lup s ASP 8 N -2.40 3.17 0.00 1.09 1.47 -1.26 -0.10 116.67 118.63 3lup s ASP 8 Ca 0.20 -1.44 0.18 0.00 1.18 0.00 0.00 52.55 52.67 3lup s ASP 8 Cb -0.00 -0.06 0.98 0.00 -0.34 0.00 0.00 42.92 43.49 3lup s ASP 8 CO 0.14 -0.62 1.53 0.35 0.68 0.00 0.00 175.17 177.26 3lup n THR 9 N -0.88 0.31 0.27 2.11 -2.24 -0.46 -2.20 114.28 111.20 3lup n THR 9 Ca -0.06 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 3lup n THR 9 Cb 0.67 -0.78 0.31 0.00 -2.10 0.00 0.00 70.33 68.42 3lup n THR 9 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3lup h SER 10 N 0.00 0.00 -3.43 3.42 4.64 -1.96 -3.44 113.55 112.78 3lup h SER 10 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3lup h SER 10 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3lup h SER 10 CO 0.00 0.00 0.54 0.00 -0.87 0.00 0.00 176.83 176.50 3lup s ALA 11 N -3.30 3.41 -0.44 5.18 0.00 -0.93 -1.09 121.76 124.59 3lup s ALA 11 Ca 0.06 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 3lup s ALA 11 Cb 0.07 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.81 3lup s ALA 11 CO 0.63 -0.35 0.48 -0.47 0.00 0.00 0.00 175.76 176.05 3lup s TYR 12 N 0.17 3.15 -0.15 0.00 5.04 0.46 -4.84 117.35 121.18 3lup s TYR 12 Ca 0.53 -0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 54.51 3lup s TYR 12 Cb -0.31 -3.06 -0.03 0.00 0.35 0.00 0.00 41.96 38.91 3lup s TYR 12 CO 0.35 -0.78 0.72 -0.51 -1.34 0.00 0.00 175.55 173.98 3lup s LEU 13 N 2.24 4.21 0.76 6.97 1.43 -1.26 -3.78 118.68 129.25 3lup s LEU 13 Ca 0.13 1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 54.12 3lup s LEU 13 Cb -0.18 -3.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 3lup s LEU 13 CO 0.13 -0.26 0.21 -2.65 0.23 0.00 0.00 176.35 174.01 3lup n PRO 14 N 4.69 0.13 -0.23 1.29 -0.02 -1.26 -4.71 135.00 134.90 3lup n PRO 14 Ca 0.01 0.08 -0.04 0.00 -2.02 0.00 0.00 63.50 61.52 3lup n PRO 14 Cb 0.50 -1.58 0.07 0.00 -0.02 0.00 0.00 33.50 32.47 3lup n PRO 14 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3lup h GLU 15 N -0.56 0.76 0.00 -0.52 9.09 -2.01 -2.63 114.58 118.71 3lup h GLU 15 Ca -0.44 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 58.89 3lup h GLU 15 Cb 1.35 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3lup h GLU 15 CO 0.38 0.50 -0.14 0.00 0.05 0.00 0.00 179.01 179.81 3lup h ALA 16 N 1.29 1.67 0.00 1.06 0.00 -2.05 -3.09 119.26 118.14 3lup h ALA 16 Ca 0.27 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3lup h ALA 16 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3lup h ALA 16 CO -0.11 0.17 -1.60 -0.89 0.00 0.00 0.00 179.25 176.82 3lup n ILE 17 N -4.24 0.90 0.00 0.00 2.08 -1.10 -4.71 119.36 112.29 3lup n ILE 17 Ca -0.02 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.63 3lup n ILE 17 Cb 0.21 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.61 3lup n ILE 17 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3lup n GLU 18 N -2.72 0.00 -0.74 0.38 4.71 -1.01 -2.03 120.64 119.24 3lup n GLU 18 Ca -0.10 0.14 -0.12 0.00 -0.01 0.00 0.00 57.16 57.07 3lup n GLU 18 Cb 0.79 -0.29 0.14 0.00 -1.01 0.00 0.00 31.44 31.07 3lup n GLU 18 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3lup n ASN 19 N -0.61 3.56 -4.77 1.62 3.02 -1.26 -4.95 115.26 111.86 3lup n ASN 19 Ca 0.00 -2.94 -0.39 0.00 -0.03 0.00 0.00 54.58 51.23 3lup n ASN 19 Cb 0.00 -0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 38.47 3lup n ASN 19 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3lup s HIS 20 N -2.07 2.78 -0.88 3.10 2.46 -0.86 -4.91 115.29 114.91 3lup s HIS 20 Ca 0.35 1.43 0.26 0.00 0.47 0.00 0.00 55.06 57.58 3lup s HIS 20 Cb 0.29 -3.63 1.02 0.00 -0.13 0.00 0.00 32.58 30.13 3lup s HIS 20 CO 0.07 -2.05 1.81 -0.85 -2.47 0.00 0.00 174.74 171.26 3lup n GLU 21 N -0.09 0.10 -0.24 2.88 0.28 -1.26 -2.59 120.64 119.72 3lup n GLU 21 Ca 0.05 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.26 3lup n GLU 21 Cb 0.44 -1.62 0.22 0.00 1.43 0.00 0.00 31.44 31.91 3lup n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3lup n ASP 22 N -1.79 3.32 -4.47 -1.84 8.00 -1.26 -4.94 116.55 113.57 3lup n ASP 22 Ca 0.06 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.24 3lup n ASP 22 Cb 0.34 -0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 3lup n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lup s VAL 23 N -1.05 4.25 -0.07 2.53 1.01 -1.07 0.39 120.40 126.38 3lup s VAL 23 Ca 0.34 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.17 3lup s VAL 23 Cb 0.18 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3lup s VAL 23 CO 0.24 0.38 -0.23 -0.31 0.00 0.00 0.00 175.10 175.18 3lup s TYR 24 N 1.27 2.52 -0.21 5.22 2.02 0.27 -4.86 117.35 123.59 3lup s TYR 24 Ca 0.04 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 3lup s TYR 24 Cb -0.15 -1.65 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3lup s TYR 24 CO 0.03 -0.24 -0.13 0.08 -1.57 0.00 0.00 175.55 173.71 3lup s VAL 25 N -0.03 1.90 0.21 0.71 1.01 -1.26 -0.72 120.40 122.22 3lup s VAL 25 Ca -0.07 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 3lup s VAL 25 Cb -0.15 -1.90 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 3lup s VAL 25 CO 0.05 0.23 0.98 -0.76 0.00 0.00 0.00 175.10 175.61 3lup s LEU 26 N 1.29 4.59 0.19 3.92 1.02 0.85 -4.87 118.68 125.67 3lup s LEU 26 Ca -0.01 1.97 -0.27 0.00 0.02 0.00 0.00 54.13 55.84 3lup s LEU 26 Cb -0.16 -3.61 -0.08 0.00 0.02 0.00 0.00 46.19 42.36 3lup s LEU 26 CO -0.09 0.03 0.84 -1.81 0.02 0.00 0.00 176.35 175.34 3lup s ASP 27 N -0.77 7.49 -0.30 2.29 1.01 -1.26 -1.35 116.67 123.78 3lup s ASP 27 Ca 0.44 1.76 -0.09 0.00 0.71 0.00 0.00 52.55 55.37 3lup s ASP 27 Cb -0.26 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 3lup s ASP 27 CO 0.33 0.19 0.13 -0.63 0.21 0.00 0.00 175.17 175.40 3lup s ILE 28 N -1.14 4.48 0.39 0.77 1.01 -1.26 -4.30 121.20 121.16 3lup s ILE 28 Ca 0.38 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.35 3lup s ILE 28 Cb -0.24 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 3lup s ILE 28 CO 0.28 0.10 1.15 -2.84 0.00 0.00 0.00 174.94 173.64 3lup s PRO 29 N 1.60 4.11 -0.07 2.79 0.02 -1.25 -4.70 135.00 137.49 3lup s PRO 29 Ca 0.05 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3lup s PRO 29 Cb -0.17 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 3lup s PRO 29 CO 0.05 -0.26 -0.05 0.96 -0.33 0.00 0.00 177.00 177.37 3lup s ILE 30 N -1.42 3.86 -0.33 2.83 -4.36 0.18 -2.30 121.20 119.65 3lup s ILE 30 Ca 0.56 -0.42 -0.01 0.00 -0.26 0.00 0.00 60.65 60.52 3lup s ILE 30 Cb -0.30 -2.59 0.07 0.00 1.25 0.00 0.00 42.46 40.89 3lup s ILE 30 CO 0.38 0.60 0.06 -0.63 0.24 0.00 0.00 174.94 175.58 3lup s ILE 31 N -0.81 2.96 0.00 8.37 1.01 0.29 -3.82 121.20 129.20 3lup s ILE 31 Ca 0.12 -1.68 0.00 0.00 0.00 0.00 0.00 60.65 59.09 3lup s ILE 31 Cb -0.11 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3lup s ILE 31 CO 0.02 -0.32 0.00 -0.38 0.00 0.00 0.00 174.94 174.26 3lup n ILE 32 N 4.57 0.00 0.98 2.92 2.08 -1.24 -1.10 119.36 127.57 3lup n ILE 32 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 3lup n ILE 32 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 3lup n ILE 32 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3lup n ASP 33 N 0.00 0.57 0.00 4.38 5.68 -1.26 -4.56 116.55 121.36 3lup n ASP 33 Ca 0.00 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 3lup n ASP 33 Cb 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 3lup n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lup n GLY 34 N 0.15 0.70 0.28 6.12 0.00 -1.26 -5.03 105.19 106.17 3lup n GLY 34 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3lup n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3lup h LYS 35 N 4.17 -0.66 -5.27 1.61 5.09 -1.94 -3.47 116.57 116.10 3lup h LYS 35 Ca 0.00 0.04 -0.38 0.00 0.09 0.00 0.00 60.65 60.41 3lup h LYS 35 Cb 0.00 0.15 -0.15 0.00 0.10 0.00 0.00 32.23 32.33 3lup h LYS 35 CO 0.00 -0.44 -0.73 -0.08 -2.09 0.00 0.00 179.45 176.11 3lup s THR 36 N -3.91 1.35 0.12 0.07 -1.32 -1.26 -5.02 115.64 105.67 3lup s THR 36 Ca -0.10 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 3lup s THR 36 Cb 0.01 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 3lup s THR 36 CO 0.30 -0.64 0.00 -1.22 -2.21 0.00 0.00 174.62 170.85 3lup n TYR 37 N -0.11 -1.01 -3.95 9.09 0.53 -1.25 -3.60 117.16 116.85 3lup n TYR 37 Ca -0.11 0.18 -0.29 0.00 -1.02 0.00 0.00 57.90 56.67 3lup n TYR 37 Cb 0.60 0.52 -0.17 0.00 -1.03 0.00 0.00 39.34 39.26 3lup n TYR 37 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3lup s ILE 38 N -2.00 1.30 0.23 -0.72 1.01 -1.26 0.47 121.20 120.22 3lup s ILE 38 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 60.65 59.79 3lup s ILE 38 Cb 0.00 -1.31 -0.12 0.00 0.01 0.00 0.00 42.46 41.04 3lup s ILE 38 CO 0.00 0.34 1.64 1.21 0.00 0.00 0.00 174.94 178.13 3lup n GLU 39 N 4.84 2.59 0.00 2.79 2.13 -1.26 -1.08 120.64 130.66 3lup n GLU 39 Ca -0.14 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.61 3lup n GLU 39 Cb 0.49 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.47 3lup n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3lup n GLY 40 N 3.25 3.20 0.37 8.31 0.00 -0.63 -4.76 105.19 114.93 3lup n GLY 40 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3lup n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3lup n GLN 41 N -2.00 0.16 0.00 1.61 7.27 -1.00 -4.90 117.38 118.53 3lup n GLN 41 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3lup n GLN 41 Cb 0.00 -0.96 0.00 0.00 2.41 0.00 0.00 30.24 31.69 3lup n GLN 41 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3lup n ASN 42 N -2.98 0.02 -3.60 1.69 4.05 -0.24 -5.02 115.26 109.19 3lup n ASN 42 Ca -0.13 -0.24 -0.02 0.00 0.45 0.00 0.00 54.58 54.64 3lup n ASN 42 Cb 0.61 0.37 -0.05 0.00 1.23 0.00 0.00 39.78 41.94 3lup n ASN 42 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3lup s LEU 43 N -0.73 -0.95 0.56 1.20 2.96 -1.10 -4.56 118.68 116.05 3lup s LEU 43 Ca 0.00 1.35 -0.04 0.00 -0.22 0.00 0.00 54.13 55.22 3lup s LEU 43 Cb 0.00 2.15 0.01 0.00 0.50 0.00 0.00 46.19 48.85 3lup s LEU 43 CO 0.00 -0.19 0.84 0.42 -1.32 0.00 0.00 176.35 176.10 3lup s THR 44 N 2.49 3.65 0.35 3.68 -4.23 -1.26 -1.60 115.64 118.71 3lup s THR 44 Ca -0.06 -0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 3lup s THR 44 Cb -0.09 -3.42 0.17 0.00 1.34 0.00 0.00 72.50 70.49 3lup s THR 44 CO -0.19 -0.39 1.89 0.25 -0.54 0.00 0.00 174.62 175.64 3lup h LEU 45 N -0.03 0.46 -0.38 4.79 5.85 -2.00 -1.24 115.31 122.76 3lup h LEU 45 Ca -0.45 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.00 3lup h LEU 45 Cb 1.26 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3lup h LEU 45 CO 0.59 0.53 -0.61 0.44 -0.34 0.00 0.00 178.44 179.05 3lup h ASP 46 N 0.48 0.77 -0.32 1.25 3.32 -2.00 -2.69 116.42 117.22 3lup h ASP 46 Ca 0.10 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 3lup h ASP 46 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3lup h ASP 46 CO 0.01 1.19 -0.04 1.56 -1.72 0.00 0.00 179.24 180.24 3lup h GLN 47 N 0.50 0.71 0.19 3.56 4.20 -1.91 -2.62 115.11 119.75 3lup h GLN 47 Ca -0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3lup h GLN 47 Cb 1.19 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3lup h GLN 47 CO 0.12 0.76 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.95 3lup h TYR 48 N 0.66 -0.42 -0.29 2.96 3.20 -0.98 0.15 116.97 122.25 3lup h TYR 48 Ca 0.13 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 3lup h TYR 48 Cb 0.48 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3lup h TYR 48 CO 0.02 -0.25 -0.21 1.88 -1.64 0.00 0.00 178.16 177.97 3lup h TYR 49 N -0.37 0.60 -0.43 -3.82 0.05 -1.47 0.26 116.97 111.79 3lup h TYR 49 Ca -0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 3lup h TYR 49 Cb 0.34 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3lup h TYR 49 CO -0.13 0.71 0.25 -0.44 -1.05 0.00 0.00 178.16 177.50 3lup h ASP 50 N 0.48 0.52 -0.02 3.88 3.32 -1.27 -1.39 116.42 121.94 3lup h ASP 50 Ca 0.08 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 3lup h ASP 50 Cb 0.63 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3lup h ASP 50 CO 0.04 0.44 -0.29 0.11 -1.72 0.00 0.00 179.24 177.82 3lup h LYS 51 N 0.56 0.46 0.62 3.56 1.57 -0.25 -2.63 116.57 120.46 3lup h LYS 51 Ca 0.15 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3lup h LYS 51 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3lup h LYS 51 CO -0.03 0.70 -0.33 1.25 -0.57 0.00 0.00 179.45 180.48 3lup h LEU 52 N 0.40 -0.80 -0.99 2.94 5.85 -0.26 -2.38 115.31 120.08 3lup h LEU 52 Ca 0.05 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.99 3lup h LEU 52 Cb 0.71 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 3lup h LEU 52 CO 0.05 -0.54 0.59 0.00 -0.34 0.00 0.00 178.44 178.20 3lup h ALA 53 N -0.52 1.62 0.00 1.25 0.00 -1.24 -3.08 119.26 117.29 3lup h ALA 53 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lup h ALA 53 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3lup h ALA 53 CO 0.12 -0.05 -0.40 0.00 0.00 0.00 0.00 179.25 178.92 3lup h ALA 54 N 1.64 0.78 -2.18 0.00 0.00 -1.34 -3.46 119.26 114.69 3lup h ALA 54 Ca 0.56 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 55.01 3lup h ALA 54 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3lup h ALA 54 CO -0.38 0.00 0.24 -1.54 0.00 0.00 0.00 179.25 177.57 3lup s SER 55 N -5.39 6.81 0.00 0.00 1.04 -0.91 -4.97 113.70 110.29 3lup s SER 55 Ca 0.05 1.48 0.20 0.00 0.48 0.00 0.00 55.95 58.16 3lup s SER 55 Cb 0.09 -2.46 0.22 0.00 0.10 0.00 0.00 66.02 63.96 3lup s SER 55 CO 0.70 -0.33 1.18 2.29 0.98 0.00 0.00 173.24 178.06 3lup n LYS 56 N -0.69 1.92 -4.57 4.02 0.00 -1.26 -4.90 118.16 112.68 3lup n LYS 56 Ca 0.05 -1.81 -0.24 0.00 -0.00 0.00 0.00 58.31 56.32 3lup n LYS 56 Cb 0.54 -1.40 -0.14 0.00 -0.00 0.00 0.00 35.03 34.03 3lup n LYS 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3lup s GLU 57 N -1.57 1.24 0.47 -1.58 2.56 -1.26 -5.14 118.70 113.42 3lup s GLU 57 Ca 0.26 -0.83 -0.23 0.00 0.00 0.00 0.00 54.97 54.17 3lup s GLU 57 Cb 0.17 -1.30 -0.07 0.00 2.00 0.00 0.00 34.13 34.93 3lup s GLU 57 CO 0.26 0.33 1.21 -0.51 -0.56 0.00 0.00 175.26 175.98 3lup s LEU 58 N -1.05 3.99 0.75 2.70 1.43 -1.26 -4.97 118.68 120.27 3lup s LEU 58 Ca 0.05 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3lup s LEU 58 Cb -0.08 -4.23 0.05 0.00 0.03 0.00 0.00 46.19 41.95 3lup s LEU 58 CO 0.01 -1.03 1.09 -2.84 0.23 0.00 0.00 176.35 173.81 3lup s PRO 59 N -2.71 2.38 0.30 1.29 0.02 -1.26 -4.95 135.00 130.07 3lup s PRO 59 Ca 0.65 1.17 0.08 0.00 0.02 0.00 0.00 61.00 62.92 3lup s PRO 59 Cb -0.31 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.24 3lup s PRO 59 CO 0.38 -1.55 -0.08 0.15 -0.33 0.00 0.00 177.00 175.57 3lup s LYS 60 N -4.83 1.65 0.38 5.54 1.02 -0.26 -4.96 119.74 118.28 3lup s LYS 60 Ca 0.61 -1.84 0.08 0.00 0.02 0.00 0.00 55.97 54.85 3lup s LYS 60 Cb -0.17 -1.37 -0.06 0.00 -0.52 0.00 0.00 37.83 35.70 3lup s LYS 60 CO 0.54 0.09 0.04 0.95 -0.92 0.00 0.00 175.35 176.06 3lup s THR 61 N -2.85 2.30 0.12 2.17 -4.23 -1.26 0.10 115.64 111.99 3lup s THR 61 Ca 0.30 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 3lup s THR 61 Cb 0.03 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 3lup s THR 61 CO 0.14 -0.08 -0.10 -0.94 -0.54 0.00 0.00 174.62 173.09 3lup s SER 62 N -3.75 1.63 0.63 3.99 1.04 -0.97 -4.90 113.70 111.36 3lup s SER 62 Ca 0.36 -0.90 -0.18 0.00 0.48 0.00 0.00 55.95 55.71 3lup s SER 62 Cb 0.04 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 3lup s SER 62 CO 0.19 -0.29 1.17 0.00 0.98 0.00 0.00 173.24 175.30 3lup n GLN 63 N 0.23 1.05 -0.65 4.02 6.02 -1.26 -3.93 117.38 122.85 3lup n GLN 63 Ca -0.14 0.41 -0.31 0.00 -0.01 0.00 0.00 57.00 56.96 3lup n GLN 63 Cb 0.59 -2.39 0.18 0.00 1.02 0.00 0.00 30.24 29.63 3lup n GLN 63 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3lup n PRO 64 N -1.53 -0.76 -2.05 -1.09 -0.04 -1.26 -4.70 135.00 123.57 3lup n PRO 64 Ca 0.15 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 3lup n PRO 64 Cb 0.48 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 3lup n PRO 64 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3lup s SER 65 N -2.53 6.71 0.25 3.54 0.15 -1.26 -4.91 113.70 115.65 3lup s SER 65 Ca 0.66 2.27 -0.06 0.00 0.70 0.00 0.00 55.95 59.52 3lup s SER 65 Cb -0.23 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 61.80 3lup s SER 65 CO 0.60 -0.85 1.93 -0.07 1.20 0.00 0.00 173.24 176.05 3lup h LEU 66 N 9.12 1.15 -1.07 3.45 3.38 -1.99 -2.27 115.31 127.09 3lup h LEU 66 Ca -0.40 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 3lup h LEU 66 Cb 1.18 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3lup h LEU 66 CO 0.93 0.83 0.15 0.00 0.09 0.00 0.00 178.44 180.44 3lup h ALA 67 N 1.38 1.25 -0.28 1.53 0.00 -1.99 0.33 119.26 121.48 3lup h ALA 67 Ca 0.37 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3lup h ALA 67 Cb -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3lup h ALA 67 CO -0.08 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.48 3lup h GLU 68 N 0.80 0.59 0.04 0.00 5.08 -1.87 -1.06 114.58 118.15 3lup h GLU 68 Ca 0.18 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3lup h GLU 68 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3lup h GLU 68 CO -0.01 0.83 -0.10 1.25 -1.00 0.00 0.00 179.01 179.99 3lup h LEU 69 N 0.33 -0.27 -0.40 1.33 5.85 -1.21 -0.48 115.31 120.44 3lup h LEU 69 Ca 0.06 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3lup h LEU 69 Cb 0.66 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3lup h LEU 69 CO 0.04 -0.15 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.07 3lup h ASP 70 N -0.19 -0.53 0.14 1.25 3.58 -0.81 0.16 116.42 120.02 3lup h ASP 70 Ca 0.02 0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 3lup h ASP 70 Cb 0.21 0.31 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 3lup h ASP 70 CO -0.07 -0.19 -0.34 0.44 -2.88 0.00 0.00 179.24 176.21 3lup h ASP 71 N -0.07 0.29 -0.48 2.28 3.32 -1.11 -2.47 116.42 118.18 3lup h ASP 71 Ca 0.20 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3lup h ASP 71 Cb 0.37 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3lup h ASP 71 CO -0.45 0.62 -0.16 0.25 -1.72 0.00 0.00 179.24 177.77 3lup h LEU 72 N 0.25 0.98 -0.31 1.55 5.85 -0.11 -1.26 115.31 122.26 3lup h LEU 72 Ca 0.03 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 3lup h LEU 72 Cb 0.72 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3lup h LEU 72 CO 0.05 1.14 0.18 -0.07 -0.34 0.00 0.00 178.44 179.40 3lup h LEU 73 N 0.82 0.37 -0.23 2.25 3.38 -0.53 0.19 115.31 121.56 3lup h LEU 73 Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3lup h LEU 73 Cb 0.73 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3lup h LEU 73 CO 0.06 0.33 0.14 0.00 0.09 0.00 0.00 178.44 179.05 3lup h GLN 75 N 0.29 0.87 -0.51 0.00 5.75 -1.01 -2.37 115.11 118.13 3lup h GLN 75 Ca 0.08 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3lup h GLN 75 Cb 0.01 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 3lup h GLN 75 CO -0.02 0.57 0.10 -0.07 -2.65 0.00 0.00 178.83 176.77 3lup h LEU 76 N 0.89 0.79 -0.60 -2.39 3.38 -0.70 0.39 115.31 117.06 3lup h LEU 76 Ca 0.40 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3lup h LEU 76 Cb 0.29 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3lup h LEU 76 CO -0.22 0.84 0.27 -0.08 0.09 0.00 0.00 178.44 179.34 3lup h GLU 77 N 0.71 0.47 0.00 1.13 4.81 -0.92 -1.76 114.58 119.03 3lup h GLU 77 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3lup h GLU 77 Cb 0.37 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3lup h GLU 77 CO 0.01 0.31 -0.25 0.36 -0.73 0.00 0.00 179.01 178.71 3lup n LYS 78 N -4.93 0.21 0.00 1.92 2.85 -0.93 -2.78 118.16 114.50 3lup n LYS 78 Ca 0.08 0.12 0.16 0.00 -1.05 0.00 0.00 58.31 57.62 3lup n LYS 78 Cb 0.23 -1.70 0.88 0.00 -0.65 0.00 0.00 35.03 33.79 3lup n LYS 78 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3lup n GLU 79 N -2.04 1.04 -0.41 -1.58 2.13 0.11 -4.92 120.64 114.98 3lup n GLU 79 Ca 0.05 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3lup n GLU 79 Cb 0.41 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.63 3lup n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3lup n GLY 80 N 1.05 0.73 3.76 8.31 0.00 -0.94 -5.05 105.19 113.05 3lup n GLY 80 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3lup n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lup s TYR 81 N -2.58 2.66 -0.15 1.61 2.02 -0.75 -4.77 117.35 115.40 3lup s TYR 81 Ca 0.00 1.43 0.08 0.00 -0.37 0.00 0.00 57.07 58.21 3lup s TYR 81 Cb 0.00 -3.63 -0.15 0.00 -0.40 0.00 0.00 41.96 37.78 3lup s TYR 81 CO 0.00 -2.19 -0.03 0.25 -1.57 0.00 0.00 175.55 172.01 3lup n THR 82 N -0.40 0.98 -4.29 -0.71 -2.24 0.27 -4.58 114.28 103.32 3lup n THR 82 Ca 0.07 -0.51 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 3lup n THR 82 Cb 0.45 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 3lup n THR 82 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3lup s HIS 83 N -2.34 1.58 -0.04 4.78 3.76 -0.90 -2.21 115.29 119.92 3lup s HIS 83 Ca -0.13 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 3lup s HIS 83 Cb 0.05 -0.80 0.02 0.00 1.11 0.00 0.00 32.58 32.96 3lup s HIS 83 CO 0.51 0.23 -0.02 0.08 -0.85 0.00 0.00 174.74 174.69 3lup s VAL 84 N -2.24 0.33 -0.25 -0.90 1.01 0.11 -0.86 120.40 117.59 3lup s VAL 84 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3lup s VAL 84 Cb -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.97 3lup s VAL 84 CO 0.05 0.18 -0.06 -0.22 0.00 0.00 0.00 175.10 175.04 3lup s LEU 85 N 0.96 3.27 -0.33 3.92 2.96 -0.48 -0.90 118.68 128.07 3lup s LEU 85 Ca -0.11 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 3lup s LEU 85 Cb -0.14 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3lup s LEU 85 CO -0.01 -0.14 0.21 -0.83 -1.32 0.00 0.00 176.35 174.26 3lup s GLY 86 N 1.30 1.94 -0.60 7.98 0.00 0.09 -1.58 107.32 116.45 3lup s GLY 86 Ca -0.01 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.36 3lup s GLY 86 CO -0.04 0.75 0.37 1.08 0.00 0.00 0.00 173.10 175.25 3lup s LEU 87 N 1.69 4.65 0.36 0.66 1.43 0.98 -3.78 118.68 124.67 3lup s LEU 87 Ca 0.06 -3.19 0.08 0.00 -1.03 0.00 0.00 54.13 50.04 3lup s LEU 87 Cb -0.17 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3lup s LEU 87 CO 0.09 -0.22 0.29 -0.36 0.23 0.00 0.00 176.35 176.38 3lup s PHE 88 N -0.54 2.82 0.13 0.29 0.08 -1.26 -4.36 117.98 115.13 3lup s PHE 88 Ca 0.19 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.67 3lup s PHE 88 Cb -0.20 -1.87 -0.12 0.00 -0.57 0.00 0.00 43.02 40.26 3lup s PHE 88 CO -0.04 0.13 0.41 1.51 -0.10 0.00 0.00 175.22 177.13 3lup n ILE 89 N -1.38 1.26 -1.52 0.64 3.06 -1.26 -4.17 119.36 115.98 3lup n ILE 89 Ca -0.01 -0.31 -0.59 0.00 -2.50 0.00 0.00 62.75 59.34 3lup n ILE 89 Cb 0.61 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.71 3lup n ILE 89 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3lup n ALA 90 N 0.11 -3.22 -0.27 1.51 0.00 -0.34 -4.64 120.51 113.67 3lup n ALA 90 Ca 0.13 0.58 0.25 0.00 0.00 0.00 0.00 53.44 54.40 3lup n ALA 90 Cb 0.16 -1.81 0.60 0.00 0.00 0.00 0.00 19.45 18.41 3lup n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lup h ALA 91 N 3.30 2.51 0.00 0.00 0.00 -1.88 -2.25 119.26 120.95 3lup h ALA 91 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3lup h ALA 91 Cb 1.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3lup h ALA 91 CO 0.68 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 179.50 3lup n GLY 92 N -1.59 -1.10 0.13 0.00 0.00 -1.25 -3.50 105.19 97.88 3lup n GLY 92 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3lup n GLY 92 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3lup n ILE 93 N -1.16 0.72 0.00 -0.61 -5.35 -0.85 -4.64 119.36 107.47 3lup n ILE 93 Ca 0.17 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 3lup n ILE 93 Cb 0.17 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3lup n ILE 93 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3lup n SER 94 N -0.47 0.00 -0.64 7.28 2.88 -1.19 -5.00 113.62 116.48 3lup n SER 94 Ca 0.04 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.60 3lup n SER 94 Cb 0.51 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 3lup n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3lup n GLY 95 N -0.06 1.04 0.12 0.46 0.00 -1.26 -4.18 105.19 101.31 3lup n GLY 95 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3lup n GLY 95 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3lup h PHE 96 N 1.03 0.33 -0.26 1.61 3.04 -1.91 -0.42 116.94 120.36 3lup h PHE 96 Ca 0.00 -0.04 0.06 0.00 3.98 0.00 0.00 57.97 61.97 3lup h PHE 96 Cb 0.61 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.96 3lup h PHE 96 CO 0.21 0.44 -0.20 2.35 -2.02 0.00 0.00 178.31 179.10 3lup h TRP 97 N 0.12 -0.51 -0.41 0.41 7.01 -1.83 -0.12 115.95 120.63 3lup h TRP 97 Ca 0.06 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.04 3lup h TRP 97 Cb 0.29 0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 3lup h TRP 97 CO 0.01 -0.27 0.04 0.37 -2.79 0.00 0.00 178.44 175.81 3lup h GLN 98 N -0.19 0.63 0.00 2.65 4.15 -1.83 -3.07 115.11 117.45 3lup h GLN 98 Ca 0.14 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 3lup h GLN 98 Cb 0.40 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3lup h GLN 98 CO -0.37 0.62 -0.40 -0.91 -1.93 0.00 0.00 178.83 175.85 3lup h ASN 99 N 0.61 0.00 0.40 -0.69 2.35 -0.20 -3.17 115.58 114.88 3lup h ASN 99 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3lup h ASN 99 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3lup h ASN 99 CO 0.01 0.40 -0.29 2.30 -1.65 0.00 0.00 177.43 178.19 3lup n ILE 100 N -3.53 0.00 -0.05 2.81 -5.35 -0.14 -4.44 119.36 108.66 3lup n ILE 100 Ca -0.00 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3lup n ILE 100 Cb 0.53 0.18 0.30 0.00 -1.74 0.00 0.00 39.64 38.91 3lup n ILE 100 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3lup h GLN 101 N 0.59 0.64 0.00 6.28 1.08 -1.58 -1.97 115.11 120.15 3lup h GLN 101 Ca 0.00 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3lup h GLN 101 Cb 0.47 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3lup h GLN 101 CO 0.00 0.55 -0.12 0.27 -0.95 0.00 0.00 178.83 178.58 3lup h PHE 102 N 0.63 0.00 0.00 2.96 -0.00 -1.82 -2.82 116.94 115.88 3lup h PHE 102 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.12 3lup h PHE 102 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.13 3lup h PHE 102 CO 0.01 0.12 -0.01 -0.07 -0.00 0.00 0.00 178.31 178.36 3lup h LEU 103 N 0.00 0.00 -0.97 2.10 3.38 -1.66 -1.98 115.31 116.17 3lup h LEU 103 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3lup h LEU 103 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3lup h LEU 103 CO 0.02 0.01 0.64 0.40 0.09 0.00 0.00 178.44 179.60 3lup h ILE 104 N 0.00 1.21 0.00 1.22 2.04 -1.67 -2.09 117.51 118.22 3lup h ILE 104 Ca -0.00 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3lup h ILE 104 Cb 0.03 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 35.93 3lup h ILE 104 CO 0.00 0.23 -0.10 -0.33 0.00 0.00 0.00 178.15 177.95 3lup h GLU 105 N 1.28 0.00 0.00 2.37 3.07 -1.56 -3.24 114.58 116.50 3lup h GLU 105 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3lup h GLU 105 Cb -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3lup h GLU 105 CO -0.10 0.10 -0.32 0.39 -1.40 0.00 0.00 179.01 177.69 3lup n GLU 106 N -3.21 0.11 -3.35 2.33 -0.58 -0.81 -4.24 120.64 110.88 3lup n GLU 106 Ca 0.01 0.05 -0.26 0.00 -0.42 0.00 0.00 57.16 56.54 3lup n GLU 106 Cb 0.40 -1.59 -0.08 0.00 -0.57 0.00 0.00 31.44 29.61 3lup n GLU 106 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3lup n HIS 107 N -1.75 2.32 0.45 -0.32 8.25 -1.08 -4.95 115.22 118.13 3lup n HIS 107 Ca 0.05 -3.96 0.10 0.00 -0.26 0.00 0.00 57.72 53.65 3lup n HIS 107 Cb 0.37 -0.49 0.42 0.00 1.12 0.00 0.00 29.99 31.42 3lup n HIS 107 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3lup n PRO 108 N 1.05 0.12 -0.01 -0.41 -0.04 -1.26 -2.50 135.00 131.96 3lup n PRO 108 Ca 0.27 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 64.21 3lup n PRO 108 Cb 0.45 -1.72 0.72 0.00 -0.04 0.00 0.00 33.50 32.90 3lup n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3lup n ASN 109 N -1.95 0.51 -4.32 3.54 4.13 -1.26 -4.78 115.26 111.13 3lup n ASN 109 Ca 0.03 -1.27 -0.25 0.00 1.68 0.00 0.00 54.58 54.77 3lup n ASN 109 Cb 0.21 -0.01 -0.12 0.00 -1.54 0.00 0.00 39.78 38.32 3lup n ASN 109 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3lup s LEU 110 N -1.87 2.34 -0.28 3.41 1.43 -1.04 -4.96 118.68 117.71 3lup s LEU 110 Ca 0.40 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3lup s LEU 110 Cb 0.19 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 3lup s LEU 110 CO 0.32 0.06 0.39 -0.89 0.23 0.00 0.00 176.35 176.46 3lup s THR 111 N -1.35 5.16 -0.06 5.49 2.01 -0.94 -4.98 115.64 120.97 3lup s THR 111 Ca 0.10 0.53 0.02 0.00 0.31 0.00 0.00 61.69 62.65 3lup s THR 111 Cb -0.09 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.70 3lup s THR 111 CO 0.05 0.11 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.35 3lup s ILE 112 N 2.10 1.05 -0.09 1.82 1.01 -1.26 0.06 121.20 125.88 3lup s ILE 112 Ca 0.15 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3lup s ILE 112 Cb -0.16 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.37 3lup s ILE 112 CO 0.10 0.33 -0.10 0.00 0.00 0.00 0.00 174.94 175.27 3lup s ALA 113 N 0.63 1.33 -0.74 9.38 0.00 -0.08 -4.98 121.76 127.31 3lup s ALA 113 Ca -0.13 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3lup s ALA 113 Cb -0.15 -0.77 0.28 0.00 0.00 0.00 0.00 23.12 22.48 3lup s ALA 113 CO 0.03 -0.17 0.97 1.19 0.00 0.00 0.00 175.76 177.78 3lup n PHE 114 N 4.42 3.40 -2.11 0.00 3.72 -1.26 -0.73 117.46 124.91 3lup n PHE 114 Ca -0.18 -3.75 -0.37 0.00 -0.05 0.00 0.00 57.45 53.11 3lup n PHE 114 Cb 0.51 -0.71 0.01 0.00 -0.94 0.00 0.00 39.48 38.35 3lup n PHE 114 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3lup s PRO 115 N -2.79 3.36 -0.20 -1.08 0.04 -1.25 -4.93 135.00 128.17 3lup s PRO 115 Ca 0.40 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 3lup s PRO 115 Cb 0.15 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3lup s PRO 115 CO -0.01 -0.90 1.38 0.34 0.04 0.00 0.00 177.00 177.85 3lup s ASP 116 N -1.42 6.75 0.34 6.66 2.15 -1.26 -4.66 116.67 125.23 3lup s ASP 116 Ca 0.70 1.62 0.18 0.00 0.43 0.00 0.00 52.55 55.48 3lup s ASP 116 Cb -0.30 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.19 3lup s ASP 116 CO 0.35 -0.95 1.60 0.71 -0.17 0.00 0.00 175.17 176.72 3lup h THR 117 N 5.73 0.78 -0.72 1.71 1.35 -1.86 -3.47 112.91 116.43 3lup h THR 117 Ca -0.29 -1.78 -0.31 0.00 -0.55 0.00 0.00 66.41 63.48 3lup h THR 117 Cb 1.12 2.15 -0.12 0.00 -1.73 0.00 0.00 68.15 69.56 3lup h THR 117 CO 0.99 0.39 -0.28 0.29 -0.25 0.00 0.00 175.52 176.66 3lup n LYS 118 N -3.33 -1.61 -1.49 4.72 5.02 -1.26 -4.89 118.16 115.32 3lup n LYS 118 Ca 0.01 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 3lup n LYS 118 Cb 0.61 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 3lup n LYS 118 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3lup n ILE 119 N -2.28 0.00 -3.06 -0.18 0.13 -1.26 -4.61 119.36 108.09 3lup n ILE 119 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 3lup n ILE 119 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.44 3lup n ILE 119 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 3lup n THR 120 N 0.00 0.00 -0.96 9.51 5.66 -1.26 -1.19 114.28 126.03 3lup n THR 120 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3lup n THR 120 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3lup n THR 120 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3lup n SER 121 N -0.66 0.00 -0.03 1.09 2.88 -0.25 -3.47 113.62 113.19 3lup n SER 121 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 3lup n SER 121 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3lup n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lup h ALA 122 N -0.70 0.31 -0.99 -1.46 0.00 -1.84 0.14 119.26 114.72 3lup h ALA 122 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 54.39 3lup h ALA 122 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3lup h ALA 122 CO 0.00 0.67 0.64 -1.35 0.00 0.00 0.00 179.25 179.21 3lup h PRO 123 N 0.54 1.09 -0.31 0.00 0.11 -1.88 0.83 132.00 132.38 3lup h PRO 123 Ca -0.05 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.02 3lup h PRO 123 Cb 1.39 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3lup h PRO 123 CO 0.16 0.72 0.13 0.37 -0.21 0.00 0.00 178.00 179.17 3lup h GLN 124 N 1.12 0.28 -0.53 1.05 4.15 -1.53 -1.04 115.11 118.61 3lup h GLN 124 Ca 0.44 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.73 3lup h GLN 124 Cb 0.24 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3lup h GLN 124 CO -0.19 0.18 -0.13 0.78 -1.93 0.00 0.00 178.83 177.55 3lup h GLY 125 N 0.28 1.10 0.89 2.39 0.00 -1.11 -1.73 103.07 104.89 3lup h GLY 125 Ca 0.13 -0.90 0.06 0.00 0.00 0.00 0.00 47.33 46.62 3lup h GLY 125 CO -0.11 0.83 0.58 3.43 0.00 0.00 0.00 176.54 181.26 3lup h ASN 126 N 0.88 0.91 -0.65 0.19 -0.26 -0.66 -1.68 115.58 114.31 3lup h ASN 126 Ca 0.13 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3lup h ASN 126 Cb 0.70 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.73 3lup h ASN 126 CO 0.05 0.59 0.43 -0.07 -1.06 0.00 0.00 177.43 177.37 3lup h LEU 127 N 1.03 0.74 0.67 1.61 3.38 -0.28 0.26 115.31 122.73 3lup h LEU 127 Ca 0.38 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3lup h LEU 127 Cb 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3lup h LEU 127 CO -0.14 0.54 -0.42 0.58 0.09 0.00 0.00 178.44 179.09 3lup h VAL 128 N 0.88 0.16 -0.64 1.22 2.07 -1.06 -0.48 116.25 118.39 3lup h VAL 128 Ca 0.24 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.89 3lup h VAL 128 Cb -0.10 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 29.72 3lup h VAL 128 CO -0.05 0.00 -0.00 -0.09 0.02 0.00 0.00 177.57 177.45 3lup h ARG 129 N -1.03 0.11 -0.28 1.57 1.12 -1.15 -1.55 114.38 113.17 3lup h ARG 129 Ca -0.09 -0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.81 3lup h ARG 129 Cb 0.83 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.74 3lup h ARG 129 CO 0.08 0.07 0.10 -0.91 -3.11 0.00 0.00 179.97 176.20 3lup h ASN 130 N 0.11 0.11 -0.36 -3.80 4.21 -0.21 -2.24 115.58 113.41 3lup h ASN 130 Ca 0.34 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 3lup h ASN 130 Cb 0.55 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.75 3lup h ASN 130 CO -0.55 0.10 0.20 0.00 -1.29 0.00 0.00 177.43 175.89 3lup h ALA 131 N 1.17 1.63 0.00 -0.83 0.00 -0.50 -1.67 119.26 119.07 3lup h ALA 131 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3lup h ALA 131 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3lup h ALA 131 CO -0.12 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.71 3lup n LEU 132 N -4.43 0.15 0.00 0.00 4.32 -0.64 -1.49 117.00 114.92 3lup n LEU 132 Ca 0.03 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3lup n LEU 132 Cb 0.10 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3lup n LEU 132 CO 0.36 0.04 0.00 0.00 -1.22 0.00 0.00 177.39 176.57 3lup h SER 135 N 0.00 0.13 0.23 0.00 0.87 -1.53 -2.26 113.55 110.98 3lup h SER 135 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3lup h SER 135 Cb 0.00 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3lup h SER 135 CO 0.00 0.20 0.00 -1.14 -0.53 0.00 0.00 176.83 175.36 3lup n ARG 136 N -4.96 0.01 -0.00 2.24 0.63 0.13 -1.64 116.66 113.08 3lup n ARG 136 Ca -0.05 0.36 0.12 0.00 -0.92 0.00 0.00 57.85 57.35 3lup n ARG 136 Cb 0.08 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 31.59 3lup n ARG 136 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3lup n GLU 137 N -1.47 2.30 -1.07 -0.14 1.02 -0.86 -5.22 120.64 115.19 3lup n GLU 137 Ca 0.02 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 3lup n GLU 137 Cb 0.08 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3lup n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lup n GLY 138 N 1.34 -1.60 3.38 0.62 0.00 -0.65 -5.07 105.19 103.21 3lup n GLY 138 Ca 0.14 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3lup n GLY 138 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lup s ASP 140 N -0.19 3.30 0.19 1.61 1.01 -1.26 -5.06 116.67 116.27 3lup s ASP 140 Ca 0.00 -0.72 -0.14 0.00 0.71 0.00 0.00 52.55 52.39 3lup s ASP 140 Cb 0.00 -0.23 0.18 0.00 1.01 0.00 0.00 42.92 43.88 3lup s ASP 140 CO 0.00 0.19 1.66 0.15 0.21 0.00 0.00 175.17 177.38 3lup h PHE 141 N 4.03 -0.19 -0.61 4.23 3.57 -2.00 0.58 116.94 126.55 3lup h PHE 141 Ca -0.50 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 3lup h PHE 141 Cb 1.17 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 3lup h PHE 141 CO 0.58 -0.19 0.34 -0.44 -2.23 0.00 0.00 178.31 176.37 3lup h ASP 142 N 0.04 0.74 -0.28 0.41 5.19 -2.03 -0.69 116.42 119.79 3lup h ASP 142 Ca 0.25 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.52 3lup h ASP 142 Cb 0.39 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 3lup h ASP 142 CO -0.50 0.59 -0.19 0.58 -3.12 0.00 0.00 179.24 176.60 3lup h VAL 143 N 0.84 1.30 0.60 -1.35 2.07 -1.64 -0.63 116.25 117.44 3lup h VAL 143 Ca 0.22 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 3lup h VAL 143 Cb 0.01 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3lup h VAL 143 CO -0.04 0.42 -0.32 0.40 0.02 0.00 0.00 177.57 178.05 3lup h ILE 144 N 0.36 0.35 -1.01 4.57 2.04 -0.53 0.11 117.51 123.40 3lup h ILE 144 Ca 0.06 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.18 3lup h ILE 144 Cb 0.73 0.35 -0.13 0.00 -0.74 0.00 0.00 36.82 37.03 3lup h ILE 144 CO 0.05 0.00 0.59 0.58 0.00 0.00 0.00 178.15 179.38 3lup h VAL 145 N -0.85 0.47 0.44 1.67 2.07 -1.15 0.15 116.25 119.05 3lup h VAL 145 Ca -0.08 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3lup h VAL 145 Cb 0.67 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3lup h VAL 145 CO 0.11 0.09 -0.21 -1.13 0.02 0.00 0.00 177.57 176.46 3lup h ASN 146 N 0.51 -0.50 -0.91 0.57 -0.73 -0.61 -0.90 115.58 113.01 3lup h ASN 146 Ca 0.67 -0.07 0.05 0.00 1.87 0.00 0.00 56.30 58.82 3lup h ASN 146 Cb 1.36 0.13 -0.06 0.00 0.27 0.00 0.00 38.32 40.03 3lup h ASN 146 CO -0.50 -0.22 0.59 0.50 -0.37 0.00 0.00 177.43 177.43 3lup h LYS 147 N -0.76 1.05 -0.26 6.67 3.64 0.85 -1.92 116.57 125.84 3lup h LYS 147 Ca -0.06 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.11 3lup h LYS 147 Cb 0.53 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3lup h LYS 147 CO 0.10 0.70 -0.42 0.82 -2.27 0.00 0.00 179.45 178.37 3lup h ILE 148 N 1.08 1.30 -0.60 2.00 1.08 -0.73 -1.49 117.51 120.15 3lup h ILE 148 Ca 0.38 -1.62 0.03 0.00 -0.39 0.00 0.00 64.86 63.26 3lup h ILE 148 Cb 0.11 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 3lup h ILE 148 CO -0.13 0.52 0.37 1.56 -0.69 0.00 0.00 178.15 179.78 3lup h GLN 149 N 0.47 0.71 -0.03 2.37 4.20 -0.72 0.42 115.11 122.52 3lup h GLN 149 Ca 0.02 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 3lup h GLN 149 Cb 1.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3lup h GLN 149 CO 0.10 0.47 -0.35 0.66 -0.67 0.00 0.00 178.83 179.03 3lup h SER 150 N 0.73 0.06 -0.35 1.46 4.64 -1.37 -2.50 113.55 116.23 3lup h SER 150 Ca 0.24 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 3lup h SER 150 Cb 0.02 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3lup h SER 150 CO -0.10 0.41 -0.37 1.56 -0.87 0.00 0.00 176.83 177.46 3lup h GLN 151 N 0.06 0.86 -0.60 4.77 4.20 -0.40 -2.63 115.11 121.37 3lup h GLN 151 Ca 0.01 -0.47 0.16 0.00 0.06 0.00 0.00 58.65 58.41 3lup h GLN 151 Cb 0.65 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3lup h GLN 151 CO 0.05 1.11 0.42 0.82 -0.67 0.00 0.00 178.83 180.56 3lup h ILE 152 N 0.66 0.72 0.00 2.54 2.04 0.10 -1.63 117.51 121.94 3lup h ILE 152 Ca 0.05 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3lup h ILE 152 Cb 0.96 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3lup h ILE 152 CO 0.09 0.01 -0.24 -0.33 0.00 0.00 0.00 178.15 177.68 3lup h GLU 153 N 0.05 0.00 0.00 2.37 4.39 -1.07 -3.29 114.58 117.04 3lup h GLU 153 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3lup h GLU 153 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3lup h GLU 153 CO -0.02 0.24 -1.85 1.63 -1.16 0.00 0.00 179.01 177.86 3lup n LYS 154 N -3.33 0.58 -1.70 2.33 4.76 -0.66 -4.95 118.16 115.19 3lup n LYS 154 Ca 0.01 -0.17 -0.41 0.00 -2.87 0.00 0.00 58.31 54.87 3lup n LYS 154 Cb 0.48 -1.52 0.02 0.00 -1.84 0.00 0.00 35.03 32.16 3lup n LYS 154 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3lup n ILE 155 N -2.18 2.74 -3.97 -0.18 5.41 -0.94 -4.83 119.36 115.41 3lup n ILE 155 Ca -0.03 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.12 3lup n ILE 155 Cb 0.54 -1.54 -0.12 0.00 -0.71 0.00 0.00 39.64 37.81 3lup n ILE 155 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3lup s GLU 156 N -2.30 0.27 -0.15 0.38 0.41 -1.11 -4.98 118.70 111.23 3lup s GLU 156 Ca 0.63 -0.50 -0.04 0.00 -0.41 0.00 0.00 54.97 54.64 3lup s GLU 156 Cb -0.49 0.05 0.07 0.00 -1.78 0.00 0.00 34.13 31.97 3lup s GLU 156 CO 0.57 -0.03 0.15 0.20 -0.49 0.00 0.00 175.26 175.65 3lup s GLY 157 N -1.18 0.15 0.02 -1.39 0.00 -1.26 -1.44 107.32 102.22 3lup s GLY 157 Ca -0.12 0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.79 3lup s GLY 157 CO -0.01 1.82 -0.18 -1.36 0.00 0.00 0.00 173.10 173.38 3lup s PHE 158 N 2.24 2.56 0.01 1.90 0.08 -0.43 -2.01 117.98 122.33 3lup s PHE 158 Ca 0.04 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3lup s PHE 158 Cb -0.15 -1.49 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 3lup s PHE 158 CO -0.09 0.23 -0.01 0.42 -0.10 0.00 0.00 175.22 175.67 3lup s ILE 159 N -0.88 0.05 -0.10 0.64 1.01 0.46 -0.29 121.20 122.08 3lup s ILE 159 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 3lup s ILE 159 Cb -0.10 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.28 3lup s ILE 159 CO 0.04 -0.17 -0.06 -0.69 0.00 0.00 0.00 174.94 174.06 3lup s VAL 160 N -0.51 0.88 0.27 2.92 1.01 0.13 -1.07 120.40 124.04 3lup s VAL 160 Ca -0.05 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3lup s VAL 160 Cb -0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3lup s VAL 160 CO -0.00 0.34 0.37 0.68 0.00 0.00 0.00 175.10 176.49 3lup s VAL 161 N 1.71 4.74 -0.09 2.92 -7.23 -1.26 -1.14 120.40 120.04 3lup s VAL 161 Ca 0.04 -1.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 3lup s VAL 161 Cb -0.13 -3.65 -0.28 0.00 0.56 0.00 0.00 36.38 32.88 3lup s VAL 161 CO -0.07 -0.27 0.76 -1.13 -0.31 0.00 0.00 175.10 174.07 3lup h ASN 162 N 1.12 0.29 -3.68 4.85 -0.00 -1.77 -3.47 115.58 112.92 3lup h ASN 162 Ca -0.49 -0.92 -0.26 0.00 -0.00 0.00 0.00 56.30 54.63 3lup h ASN 162 Cb 1.24 -0.09 -0.30 0.00 -0.00 0.00 0.00 38.32 39.17 3lup h ASN 162 CO 0.58 1.32 -0.73 1.51 -0.00 0.00 0.00 177.43 180.12 3lup s ASP 163 N -6.76 0.08 0.00 1.15 -4.77 -1.26 -5.06 116.67 100.05 3lup s ASP 163 Ca -0.17 0.00 0.28 0.00 -3.30 0.00 0.00 52.55 49.36 3lup s ASP 163 Cb 0.01 -0.03 1.08 0.00 -1.09 0.00 0.00 42.92 42.88 3lup s ASP 163 CO 0.76 -0.03 1.79 0.18 0.70 0.00 0.00 175.17 178.57 3lup n LEU 164 N 3.41 0.29 -0.17 2.11 4.77 -1.26 -4.09 117.00 122.05 3lup n LEU 164 Ca -0.17 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3lup n LEU 164 Cb 0.57 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 3lup n LEU 164 CO 0.25 0.06 0.92 0.78 -1.33 0.00 0.00 177.39 178.07 3lup h ASN 165 N 0.20 0.05 -0.18 -1.43 2.35 -1.95 0.09 115.58 114.71 3lup h ASN 165 Ca 0.00 0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 3lup h ASN 165 Cb 0.44 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 3lup h ASN 165 CO 0.00 0.05 -0.23 0.45 -1.65 0.00 0.00 177.43 176.05 3lup h HIS 166 N 0.27 -0.62 -0.57 1.19 3.86 -1.81 0.33 115.15 117.81 3lup h HIS 166 Ca 0.26 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 3lup h HIS 166 Cb 0.34 0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3lup h HIS 166 CO -0.21 -0.31 0.11 -0.07 0.86 0.00 0.00 177.93 178.30 3lup h LEU 167 N -0.27 0.85 0.06 2.43 3.38 -0.53 -0.45 115.31 120.79 3lup h LEU 167 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3lup h LEU 167 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3lup h LEU 167 CO -0.33 0.85 -0.03 0.58 0.09 0.00 0.00 178.44 179.60 3lup h VAL 168 N 0.86 0.87 -0.09 1.22 2.07 -0.63 -1.61 116.25 118.94 3lup h VAL 168 Ca 0.18 -1.49 -0.20 0.00 0.82 0.00 0.00 66.70 66.02 3lup h VAL 168 Cb 0.36 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3lup h VAL 168 CO 0.01 0.27 -0.76 0.11 0.02 0.00 0.00 177.57 177.22 3lup h LYS 169 N -0.96 0.50 -0.06 1.57 1.57 -0.44 -2.44 116.57 116.32 3lup h LYS 169 Ca -0.01 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 3lup h LYS 169 Cb 0.51 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3lup h LYS 169 CO 0.01 1.06 -0.13 0.78 -0.57 0.00 0.00 179.45 180.60 3lup h GLY 170 N 1.09 0.09 0.00 3.86 0.00 -1.17 -3.47 103.07 103.47 3lup h GLY 170 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3lup h GLY 170 CO 0.14 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.33 3lup n GLY 171 N -1.05 0.81 0.12 4.60 0.00 -0.92 -4.97 105.19 103.79 3lup n GLY 171 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3lup n GLY 171 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lup h ARG 172 N 4.07 0.00 -6.20 1.61 2.47 -1.64 -3.42 114.38 111.27 3lup h ARG 172 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 3lup h ARG 172 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 3lup h ARG 172 CO 0.00 0.00 0.75 -1.17 0.56 0.00 0.00 179.97 180.11 3lup s LEU 173 N -5.03 4.20 0.29 3.04 2.96 -0.67 -3.80 118.68 119.67 3lup s LEU 173 Ca 0.05 1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 55.28 3lup s LEU 173 Cb 0.10 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.15 3lup s LEU 173 CO 0.72 -0.63 1.10 -0.44 -1.32 0.00 0.00 176.35 175.79 3lup s SER 174 N 1.46 7.22 -1.60 3.68 0.01 -0.61 -2.79 113.70 121.07 3lup s SER 174 Ca 0.51 2.27 0.00 0.00 1.31 0.00 0.00 55.95 60.04 3lup s SER 174 Cb -0.20 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.40 3lup s SER 174 CO 0.15 -0.18 0.00 -3.20 0.41 0.00 0.00 173.24 170.42 3lup n ASN 175 N 1.10 -4.30 -0.24 2.44 5.15 -1.26 -4.88 115.26 113.26 3lup n ASN 175 Ca -0.01 0.32 -0.00 0.00 -0.60 0.00 0.00 54.58 54.29 3lup n ASN 175 Cb 0.45 -3.84 0.12 0.00 -0.53 0.00 0.00 39.78 35.98 3lup n ASN 175 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3lup h GLY 176 N 0.00 1.05 2.00 8.20 0.00 -1.86 -0.91 103.07 111.55 3lup h GLY 176 Ca -0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 3lup h GLY 176 CO 0.47 0.13 -0.14 1.48 0.00 0.00 0.00 176.54 178.48 3lup h SER 177 N 0.69 0.00 0.88 0.19 4.64 -1.86 1.00 113.55 119.09 3lup h SER 177 Ca 0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 3lup h SER 177 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3lup h SER 177 CO -0.21 0.14 -1.18 0.00 -0.87 0.00 0.00 176.83 174.71 3lup h ALA 178 N 1.86 0.49 -0.01 5.18 0.00 -1.58 -3.38 119.26 121.82 3lup h ALA 178 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 3lup h ALA 178 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3lup h ALA 178 CO 0.02 1.30 -0.41 0.44 0.00 0.00 0.00 179.25 180.60 3lup n ILE 179 N -3.25 0.00 -0.23 0.00 -5.35 -0.86 -4.69 119.36 104.99 3lup n ILE 179 Ca -0.05 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.09 3lup n ILE 179 Cb 0.96 1.15 0.05 0.00 -1.74 0.00 0.00 39.64 40.06 3lup n ILE 179 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 3lup h ILE 180 N 1.42 1.14 -0.60 7.28 2.10 -0.99 -2.14 117.51 125.72 3lup h ILE 180 Ca 0.00 -0.29 0.17 0.00 1.08 0.00 0.00 64.86 65.82 3lup h ILE 180 Cb 0.51 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 36.43 3lup h ILE 180 CO 0.00 0.15 0.46 1.23 -1.08 0.00 0.00 178.15 178.92 3lup h GLY 181 N 0.85 0.00 1.58 8.18 0.00 -1.85 -0.95 103.07 110.88 3lup h GLY 181 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3lup h GLY 181 CO -0.07 0.00 -0.50 3.43 0.00 0.00 0.00 176.54 179.40 3lup h ASN 182 N 0.00 0.00 0.00 0.19 2.35 -1.72 -3.36 115.58 113.03 3lup h ASN 182 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3lup h ASN 182 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3lup h ASN 182 CO -0.00 0.09 -1.10 0.18 -1.65 0.00 0.00 177.43 174.95 3lup n LEU 183 N -2.95 0.76 -0.25 1.61 4.77 -0.41 -4.61 117.00 115.92 3lup n LEU 183 Ca 0.01 -0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 3lup n LEU 183 Cb 0.58 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.84 3lup n LEU 183 CO 0.37 0.19 1.18 -0.07 -1.33 0.00 0.00 177.39 177.73 3lup h LEU 184 N 0.00 0.96 -0.26 2.23 3.38 -1.60 -2.66 115.31 117.36 3lup h LEU 184 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3lup h LEU 184 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3lup h LEU 184 CO 0.00 0.76 -0.01 -1.20 0.09 0.00 0.00 178.44 178.08 3lup n SER 185 N -4.36 0.41 -3.89 -0.43 7.64 -1.26 -4.92 113.62 106.80 3lup n SER 185 Ca 0.08 -1.06 -0.26 0.00 1.01 0.00 0.00 58.87 58.65 3lup n SER 185 Cb 0.09 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 3lup n SER 185 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3lup n ILE 186 N -0.71 0.00 -3.88 0.44 -5.35 -1.00 -5.00 119.36 103.85 3lup n ILE 186 Ca 0.22 -2.44 -0.28 0.00 -0.27 0.00 0.00 62.75 59.97 3lup n ILE 186 Cb 0.19 0.89 -0.12 0.00 -1.74 0.00 0.00 39.64 38.86 3lup n ILE 186 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3lup s LYS 187 N -3.58 2.32 0.47 6.28 -0.14 0.49 -5.00 119.74 120.58 3lup s LYS 187 Ca 0.22 -3.19 -0.22 0.00 -1.36 0.00 0.00 55.97 51.43 3lup s LYS 187 Cb 0.01 -3.31 -0.07 0.00 -1.68 0.00 0.00 37.83 32.77 3lup s LYS 187 CO 0.16 -1.27 1.12 -1.25 -0.76 0.00 0.00 175.35 173.35 3lup s PRO 188 N -1.22 3.74 -0.16 -1.68 0.04 -1.25 -3.54 135.00 130.93 3lup s PRO 188 Ca 0.24 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 3lup s PRO 188 Cb -0.07 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3lup s PRO 188 CO -0.14 -0.53 0.46 0.08 0.04 0.00 0.00 177.00 176.90 3lup s VAL 189 N -1.67 5.18 0.21 -0.36 1.01 0.30 -4.54 120.40 120.53 3lup s VAL 189 Ca 0.65 0.89 0.10 0.00 0.00 0.00 0.00 61.98 63.61 3lup s VAL 189 Cb -0.25 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3lup s VAL 189 CO 0.30 0.28 -0.10 -0.76 0.00 0.00 0.00 175.10 174.82 3lup s LEU 190 N 1.00 2.94 0.27 3.92 1.43 -0.24 0.12 118.68 128.13 3lup s LEU 190 Ca 0.24 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 3lup s LEU 190 Cb -0.15 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 3lup s LEU 190 CO 0.09 0.08 0.47 -1.38 0.23 0.00 0.00 176.35 175.84 3lup s HIS 191 N -1.92 0.57 -0.09 0.29 -3.43 -0.60 -0.41 115.29 109.70 3lup s HIS 191 Ca 0.26 -0.91 -0.24 0.00 -0.80 0.00 0.00 55.06 53.37 3lup s HIS 191 Cb -0.08 0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 31.15 3lup s HIS 191 CO 0.16 -1.03 0.74 -0.06 -2.00 0.00 0.00 174.74 172.54 3lup s PHE 192 N -3.70 3.54 1.16 0.38 0.08 -0.85 -1.61 117.98 116.96 3lup s PHE 192 Ca 0.25 1.25 -0.17 0.00 0.12 0.00 0.00 56.93 58.38 3lup s PHE 192 Cb -0.00 -2.86 0.20 0.00 -0.57 0.00 0.00 43.02 39.78 3lup s PHE 192 CO 0.12 -0.00 0.36 0.09 -0.10 0.00 0.00 175.22 175.69 3lup n ASN 193 N 4.16 -2.84 0.24 1.36 3.02 0.28 -4.80 115.26 116.69 3lup n ASN 193 Ca 0.00 -0.35 0.10 0.00 -0.03 0.00 0.00 54.58 54.30 3lup n ASN 193 Cb 0.51 -0.93 0.62 0.00 -0.61 0.00 0.00 39.78 39.37 3lup n ASN 193 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3lup h GLU 194 N -2.63 0.00 -0.20 3.52 5.08 -1.98 -2.26 114.58 116.11 3lup h GLU 194 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3lup h GLU 194 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3lup h GLU 194 CO 0.30 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.87 3lup n GLU 195 N -3.70 1.87 -1.78 2.33 4.71 -1.26 -4.94 120.64 117.88 3lup n GLU 195 Ca -0.02 -1.31 -0.09 0.00 -0.01 0.00 0.00 57.16 55.74 3lup n GLU 195 Cb 0.29 -1.42 -0.02 0.00 -1.01 0.00 0.00 31.44 29.29 3lup n GLU 195 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3lup n GLY 196 N 1.20 0.45 3.89 0.62 0.00 -0.85 -4.10 105.19 106.40 3lup n GLY 196 Ca 0.17 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3lup n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lup s LYS 197 N -3.71 3.66 -0.23 1.61 1.02 -1.26 -3.93 119.74 116.91 3lup s LYS 197 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 55.97 55.76 3lup s LYS 197 Cb 0.00 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 3lup s LYS 197 CO 0.00 0.40 0.76 0.42 -0.92 0.00 0.00 175.35 176.00 3lup s ILE 198 N -1.76 4.90 0.25 2.17 1.01 -1.25 0.10 121.20 126.63 3lup s ILE 198 Ca 0.43 1.42 0.04 0.00 0.00 0.00 0.00 60.65 62.54 3lup s ILE 198 Cb -0.12 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3lup s ILE 198 CO 0.25 -0.01 0.01 0.68 0.00 0.00 0.00 174.94 175.87 3lup s VAL 199 N 2.53 1.05 -0.22 2.92 -7.23 -0.64 -1.57 120.40 117.25 3lup s VAL 199 Ca 0.32 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 3lup s VAL 199 Cb -0.16 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.34 3lup s VAL 199 CO 0.09 -0.24 1.05 -0.69 -0.31 0.00 0.00 175.10 175.00 3lup s VAL 200 N -3.40 4.66 -0.08 1.32 1.01 -1.26 -1.57 120.40 121.08 3lup s VAL 200 Ca 0.31 2.00 -0.20 0.00 0.00 0.00 0.00 61.98 64.09 3lup s VAL 200 Cb 0.06 -4.29 -0.16 0.00 0.00 0.00 0.00 36.38 31.99 3lup s VAL 200 CO 0.10 -0.16 0.73 0.22 0.00 0.00 0.00 175.10 175.99 3lup h TYR 201 N 7.47 -0.11 -2.94 5.22 3.20 -0.61 -3.47 116.97 125.73 3lup h TYR 201 Ca -0.20 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.51 3lup h TYR 201 Cb 1.07 0.04 -0.26 0.00 1.54 0.00 0.00 36.73 39.12 3lup h TYR 201 CO 0.75 0.39 -0.37 -2.00 -1.64 0.00 0.00 178.16 175.30 3lup s GLU 202 N -2.88 0.34 -0.32 1.82 2.12 -0.44 -5.00 118.70 114.34 3lup s GLU 202 Ca -0.12 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.42 3lup s GLU 202 Cb -0.00 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.49 3lup s GLU 202 CO 0.46 -0.08 1.26 0.15 -0.54 0.00 0.00 175.26 176.51 3lup s LYS 203 N 0.54 3.91 -0.05 4.30 1.02 -1.26 -0.53 119.74 127.66 3lup s LYS 203 Ca -0.03 1.16 0.06 0.00 0.02 0.00 0.00 55.97 57.18 3lup s LYS 203 Cb -0.05 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 3lup s LYS 203 CO -0.03 -1.13 -0.25 0.08 -0.92 0.00 0.00 175.35 173.11 3lup s VAL 204 N 4.33 2.12 0.04 3.17 1.01 -1.23 -4.95 120.40 124.88 3lup s VAL 204 Ca 0.54 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3lup s VAL 204 Cb -0.15 -1.76 -0.30 0.00 0.00 0.00 0.00 36.38 34.16 3lup s VAL 204 CO 0.23 0.57 1.01 0.03 0.00 0.00 0.00 175.10 176.94 3lup h ARG 205 N 5.95 0.35 -6.30 2.72 3.08 -1.96 0.14 114.38 118.36 3lup h ARG 205 Ca -0.34 -0.60 -0.61 0.00 0.07 0.00 0.00 59.98 58.51 3lup h ARG 205 Cb 1.17 0.22 -0.14 0.00 0.08 0.00 0.00 29.97 31.30 3lup h ARG 205 CO 0.47 1.26 -0.74 -0.08 -1.07 0.00 0.00 179.97 179.82 3lup s THR 206 N -2.63 2.79 0.16 2.04 -1.32 -1.26 -3.63 115.64 111.79 3lup s THR 206 Ca -0.07 -2.13 -0.11 0.00 -1.21 0.00 0.00 61.69 58.16 3lup s THR 206 Cb 0.06 -2.44 0.02 0.00 -1.51 0.00 0.00 72.50 68.63 3lup s THR 206 CO 0.89 -0.31 1.59 -0.08 -2.21 0.00 0.00 174.62 174.50 3lup h GLU 207 N 2.41 0.94 0.09 7.08 4.81 -1.90 0.54 114.58 128.55 3lup h GLU 207 Ca -0.43 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.48 3lup h GLU 207 Cb 1.24 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 3lup h GLU 207 CO 0.57 1.00 -0.48 0.87 -0.73 0.00 0.00 179.01 180.24 3lup h LYS 208 N 0.80 -0.67 -0.18 1.92 1.57 -2.00 -0.85 116.57 117.17 3lup h LYS 208 Ca 0.14 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3lup h LYS 208 Cb 0.61 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3lup h LYS 208 CO 0.04 -0.44 -0.15 0.87 -0.57 0.00 0.00 179.45 179.20 3lup h LYS 209 N -0.69 0.30 -0.17 3.15 1.57 -1.96 -2.11 116.57 116.66 3lup h LYS 209 Ca 0.01 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3lup h LYS 209 Cb 0.72 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 3lup h LYS 209 CO -0.29 0.45 -0.07 0.00 -0.57 0.00 0.00 179.45 178.98 3lup h ALA 210 N 1.57 0.08 -0.46 3.86 0.00 -0.30 0.33 119.26 124.34 3lup h ALA 210 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3lup h ALA 210 Cb 0.44 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3lup h ALA 210 CO 0.03 -0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 178.58 3lup h LEU 211 N -0.04 0.91 -0.38 0.00 3.38 -0.81 -0.81 115.31 117.55 3lup h LEU 211 Ca 0.09 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3lup h LEU 211 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3lup h LEU 211 CO -0.20 1.07 0.22 0.11 0.09 0.00 0.00 178.44 179.73 3lup h LYS 212 N 0.74 0.52 -0.97 1.13 1.57 -1.15 -2.17 116.57 116.25 3lup h LYS 212 Ca 0.11 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3lup h LYS 212 Cb 0.68 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 3lup h LYS 212 CO 0.05 0.41 0.63 -0.09 -0.57 0.00 0.00 179.45 179.88 3lup h ARG 213 N 0.49 1.09 -0.19 3.15 9.65 -0.11 -1.66 114.38 126.81 3lup h ARG 213 Ca 0.13 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3lup h ARG 213 Cb 0.03 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 3lup h ARG 213 CO -0.02 0.72 0.04 -0.07 2.80 0.00 0.00 179.97 183.44 3lup h LEU 214 N 1.12 0.03 -0.81 3.80 3.38 -0.57 -1.29 115.31 120.97 3lup h LEU 214 Ca 0.42 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.48 3lup h LEU 214 Cb 0.18 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3lup h LEU 214 CO -0.16 0.04 0.49 0.00 0.09 0.00 0.00 178.44 178.90 3lup h ALA 215 N 1.13 1.11 -0.56 1.53 0.00 -1.00 -0.94 119.26 120.51 3lup h ALA 215 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3lup h ALA 215 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3lup h ALA 215 CO -0.10 0.21 0.15 0.93 0.00 0.00 0.00 179.25 180.43 3lup h GLU 216 N 0.88 0.86 -0.44 0.00 5.08 -1.05 -2.87 114.58 117.05 3lup h GLU 216 Ca 0.36 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3lup h GLU 216 Cb 0.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3lup h GLU 216 CO -0.18 0.76 -0.09 0.82 -1.00 0.00 0.00 179.01 179.32 3lup h ILE 217 N 0.83 1.27 -0.95 3.13 2.04 -0.42 -2.28 117.51 121.14 3lup h ILE 217 Ca 0.18 -1.19 0.13 0.00 1.00 0.00 0.00 64.86 64.98 3lup h ILE 217 Cb 0.28 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 3lup h ILE 217 CO -0.00 0.41 0.58 0.58 0.00 0.00 0.00 178.15 179.71 3lup h VAL 218 N 0.66 0.87 -0.28 1.67 2.07 -1.08 -2.33 116.25 117.84 3lup h VAL 218 Ca 0.11 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 3lup h VAL 218 Cb 0.62 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3lup h VAL 218 CO 0.04 0.16 -0.34 0.50 0.02 0.00 0.00 177.57 177.95 3lup h LYS 219 N 0.89 0.62 -0.39 1.57 3.64 -1.22 -1.38 116.57 120.29 3lup h LYS 219 Ca 0.48 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3lup h LYS 219 Cb 0.53 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3lup h LYS 219 CO -0.29 0.87 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 3lup n GLU 220 N -4.06 0.45 0.00 1.90 1.02 -0.88 -3.27 120.64 115.80 3lup n GLU 220 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3lup n GLU 220 Cb 0.48 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3lup n GLU 220 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3lup n THR 222 N 0.18 0.00 0.28 2.62 -2.24 -0.52 -4.60 114.28 110.01 3lup n THR 222 Ca 0.00 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 3lup n THR 222 Cb 0.10 0.00 0.83 0.00 -2.10 0.00 0.00 70.33 69.15 3lup n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lup h ALA 223 N 0.00 1.19 -0.35 6.98 0.00 -1.80 -3.16 119.26 122.12 3lup h ALA 223 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3lup h ALA 223 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3lup h ALA 223 CO 0.00 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 178.94 3lup n ASP 224 N -3.44 2.89 0.00 0.00 5.75 -1.26 -5.02 116.55 115.46 3lup n ASP 224 Ca -0.02 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3lup n ASP 224 Cb 0.21 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3lup n ASP 224 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3lup n GLY 225 N 1.39 -0.60 3.48 6.12 0.00 -1.20 -5.12 105.19 109.26 3lup n GLY 225 Ca 0.18 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3lup n GLY 225 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lup s GLU 226 N -0.79 3.58 -0.04 1.61 0.41 -1.26 -4.93 118.70 117.28 3lup s GLU 226 Ca 0.00 -0.55 0.06 0.00 -0.41 0.00 0.00 54.97 54.07 3lup s GLU 226 Cb 0.00 -3.54 -0.01 0.00 -1.78 0.00 0.00 34.13 28.80 3lup s GLU 226 CO 0.00 -0.30 -0.23 0.71 -0.49 0.00 0.00 175.26 174.95 3lup s TYR 227 N 1.66 2.21 -0.00 1.61 2.02 -1.26 0.14 117.35 123.72 3lup s TYR 227 Ca 0.06 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.87 3lup s TYR 227 Cb -0.16 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 3lup s TYR 227 CO 0.07 -0.16 1.33 -0.51 -1.57 0.00 0.00 175.55 174.71 3lup s ASP 228 N -0.23 6.92 -0.10 2.29 1.01 0.12 -4.81 116.67 121.86 3lup s ASP 228 Ca -0.00 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.32 3lup s ASP 228 Cb -0.12 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 3lup s ASP 228 CO 0.02 -0.66 -0.14 -0.63 0.21 0.00 0.00 175.17 173.97 3lup s ILE 229 N 2.15 3.02 -0.10 0.77 1.01 0.45 -1.28 121.20 127.22 3lup s ILE 229 Ca 0.61 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3lup s ILE 229 Cb -0.30 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 39.95 3lup s ILE 229 CO 0.26 0.55 -0.15 0.00 0.00 0.00 0.00 174.94 175.60 3lup s ALA 230 N -0.04 1.61 -0.19 9.38 0.00 0.02 -2.15 121.76 130.39 3lup s ALA 230 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 3lup s ALA 230 Cb -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3lup s ALA 230 CO 0.04 -0.04 0.30 0.42 0.00 0.00 0.00 175.76 176.48 3lup s ILE 231 N 0.94 5.28 -0.03 0.00 1.01 0.18 -1.10 121.20 127.49 3lup s ILE 231 Ca -0.08 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.15 3lup s ILE 231 Cb -0.15 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 3lup s ILE 231 CO -0.01 0.34 -0.14 -0.63 0.00 0.00 0.00 174.94 174.50 3lup s ILE 232 N 0.83 1.18 0.03 2.92 1.01 -0.28 -0.81 121.20 126.08 3lup s ILE 232 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 3lup s ILE 232 Cb -0.14 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 3lup s ILE 232 CO 0.05 0.34 0.11 -1.38 0.00 0.00 0.00 174.94 174.06 3lup s HIS 233 N -0.10 0.16 -0.85 3.97 -3.43 -0.93 -0.44 115.29 113.67 3lup s HIS 233 Ca 0.01 -0.41 -0.06 0.00 -0.80 0.00 0.00 55.06 53.80 3lup s HIS 233 Cb -0.08 -0.11 0.21 0.00 -1.43 0.00 0.00 32.58 31.17 3lup s HIS 233 CO 0.01 -0.35 0.75 -1.54 -2.00 0.00 0.00 174.74 171.60 3lup s SER 234 N -1.96 6.21 -1.23 7.38 1.04 -0.64 -1.68 113.70 122.81 3lup s SER 234 Ca -0.07 -3.24 -0.02 0.00 0.48 0.00 0.00 55.95 53.10 3lup s SER 234 Cb -0.03 -2.02 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 3lup s SER 234 CO -0.03 -0.34 0.83 0.54 0.98 0.00 0.00 173.24 175.22 3lup n ARG 235 N 3.08 -5.05 -2.61 4.02 5.12 -1.26 -1.00 116.66 118.95 3lup n ARG 235 Ca 0.17 0.72 -0.12 0.00 -1.93 0.00 0.00 57.85 56.69 3lup n ARG 235 Cb 0.40 -5.44 0.03 0.00 -1.16 0.00 0.00 32.46 26.29 3lup n ARG 235 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3lup n ALA 236 N -4.11 3.67 -0.31 7.54 0.00 -1.26 -4.22 120.51 121.82 3lup n ALA 236 Ca -0.26 -3.32 -0.03 0.00 0.00 0.00 0.00 53.44 49.83 3lup n ALA 236 Cb 0.66 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 19.33 3lup n ALA 236 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3lup n GLN 237 N -0.34 -0.23 -0.22 0.00 -0.06 -1.26 -1.52 117.38 113.76 3lup n GLN 237 Ca 0.18 1.23 -0.07 0.00 -2.00 0.00 0.00 57.00 56.34 3lup n GLN 237 Cb 0.80 -1.82 0.08 0.00 -4.06 0.00 0.00 30.24 25.24 3lup n GLN 237 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 3lup h ASP 238 N 0.00 1.00 -0.00 1.69 3.32 -1.99 -0.66 116.42 119.78 3lup h ASP 238 Ca 0.24 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3lup h ASP 238 Cb 0.44 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3lup h ASP 238 CO -0.78 0.98 -0.24 0.11 -1.72 0.00 0.00 179.24 177.59 3lup h LYS 239 N 0.99 0.40 0.04 3.56 1.57 -1.69 -1.51 116.57 119.93 3lup h LYS 239 Ca 0.20 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.60 3lup h LYS 239 Cb 0.40 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.70 3lup h LYS 239 CO 0.01 0.61 -0.99 0.00 -0.57 0.00 0.00 179.45 178.51 3lup h ALA 240 N 1.40 0.07 -0.69 3.86 0.00 -0.94 -2.04 119.26 120.92 3lup h ALA 240 Ca 0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 3lup h ALA 240 Cb 0.61 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3lup h ALA 240 CO 0.04 0.60 0.18 0.93 0.00 0.00 0.00 179.25 181.00 3lup h GLU 241 N 0.22 1.08 0.44 0.00 5.08 -1.11 0.20 114.58 120.50 3lup h GLU 241 Ca -0.13 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3lup h GLU 241 Cb 1.67 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 3lup h GLU 241 CO 0.19 0.95 -0.39 0.37 -1.00 0.00 0.00 179.01 179.13 3lup h GLN 242 N 1.03 -0.81 -0.78 2.33 5.75 -1.31 -0.28 115.11 121.04 3lup h GLN 242 Ca 0.22 0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.79 3lup h GLN 242 Cb 0.35 0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 3lup h GLN 242 CO -0.00 -0.54 0.51 1.25 -2.65 0.00 0.00 178.83 177.40 3lup h LEU 243 N -0.84 0.86 -0.45 -2.39 5.85 -1.18 -0.31 115.31 116.85 3lup h LEU 243 Ca -0.04 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3lup h LEU 243 Cb 0.74 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3lup h LEU 243 CO -0.03 0.61 0.21 0.22 -0.34 0.00 0.00 178.44 179.11 3lup h TYR 244 N 1.01 0.38 -0.37 1.25 3.20 -0.36 -0.55 116.97 121.53 3lup h TYR 244 Ca 0.30 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.14 3lup h TYR 244 Cb -0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3lup h TYR 244 CO -0.00 0.18 0.03 -0.91 -1.64 0.00 0.00 178.16 175.83 3lup h ASN 245 N 0.42 0.61 -0.94 -2.11 2.35 -0.12 0.54 115.58 116.33 3lup h ASN 245 Ca 0.20 -0.28 0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3lup h ASN 245 Cb 0.13 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.26 3lup h ASN 245 CO -0.16 0.74 0.60 -0.07 -1.65 0.00 0.00 177.43 176.89 3lup h LEU 246 N 0.46 0.82 0.00 1.61 3.38 -0.78 0.20 115.31 121.00 3lup h LEU 246 Ca 0.11 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3lup h LEU 246 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3lup h LEU 246 CO 0.01 0.45 -0.88 -0.07 0.09 0.00 0.00 178.44 178.04 3lup h LEU 247 N 0.89 0.00 -0.05 1.67 3.38 -0.75 -2.58 115.31 117.87 3lup h LEU 247 Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 3lup h LEU 247 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3lup h LEU 247 CO -0.22 0.81 0.01 0.00 0.09 0.00 0.00 178.44 179.13 3lup h ALA 248 N 1.19 0.06 -0.98 1.53 0.00 0.10 -0.39 119.26 120.79 3lup h ALA 248 Ca -0.03 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3lup h ALA 248 Cb 1.64 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 3lup h ALA 248 CO 0.10 -0.31 0.62 -0.22 0.00 0.00 0.00 179.25 179.45 3lup h LYS 249 N -0.15 1.08 0.00 0.00 3.64 -0.69 -2.21 116.57 118.24 3lup h LYS 249 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3lup h LYS 249 Cb 0.25 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3lup h LYS 249 CO 0.00 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.90 3lup n ALA 250 N -2.36 2.03 -0.10 5.00 0.00 -0.97 -4.86 120.51 119.24 3lup n ALA 250 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3lup n ALA 250 Cb 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3lup n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lup n GLY 251 N 0.41 0.95 1.03 0.00 0.00 -0.83 -5.01 105.19 101.74 3lup n GLY 251 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3lup n GLY 251 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3lup n LEU 252 N 0.00 3.89 0.08 0.99 4.77 -0.17 -4.67 117.00 121.89 3lup n LEU 252 Ca 0.00 -2.53 0.19 0.00 -0.03 0.00 0.00 56.01 53.64 3lup n LEU 252 Cb 0.00 -0.46 0.74 0.00 -2.33 0.00 0.00 43.42 41.37 3lup n LEU 252 CO 0.00 0.73 1.17 0.50 -1.33 0.00 0.00 177.39 178.46 3lup h LYS 253 N 2.57 0.00 -0.23 3.23 3.64 -1.80 -3.34 116.57 120.64 3lup h LYS 253 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3lup h LYS 253 Cb 1.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3lup h LYS 253 CO 0.16 0.00 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.66 3lup h ASP 254 N 0.00 0.62 -2.01 4.20 3.32 -1.94 -3.03 116.42 117.58 3lup h ASP 254 Ca 0.19 -0.48 -0.70 0.00 0.02 0.00 0.00 57.03 56.06 3lup h ASP 254 Cb 0.90 -0.17 -0.34 0.00 0.22 0.00 0.00 39.33 39.94 3lup h ASP 254 CO -0.00 0.97 0.29 0.47 -1.72 0.00 0.00 179.24 179.25 3lup n ASP 255 N -4.36 6.22 -3.96 6.45 8.00 -1.25 -4.98 116.55 122.65 3lup n ASP 255 Ca -0.05 -3.74 -0.28 0.00 0.71 0.00 0.00 54.79 51.43 3lup n ASP 255 Cb 0.44 -0.85 -0.17 0.00 -0.02 0.00 0.00 41.12 40.52 3lup n ASP 255 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3lup s LEU 256 N -3.90 1.42 0.01 0.64 2.96 -1.15 -0.41 118.68 118.26 3lup s LEU 256 Ca 0.47 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3lup s LEU 256 Cb 0.33 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 3lup s LEU 256 CO -0.24 -0.07 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.91 3lup s GLU 257 N 1.46 0.80 -0.21 1.98 2.12 -0.91 -5.03 118.70 118.90 3lup s GLU 257 Ca 0.02 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.74 3lup s GLU 257 Cb -0.13 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.46 3lup s GLU 257 CO -0.07 0.20 0.09 0.42 -0.54 0.00 0.00 175.26 175.35 3lup s ILE 258 N -0.55 4.78 0.06 -3.70 1.01 -1.26 -0.65 121.20 120.88 3lup s ILE 258 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3lup s ILE 258 Cb -0.06 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3lup s ILE 258 CO 0.00 0.40 -0.04 0.68 0.00 0.00 0.00 174.94 175.98 3lup s VAL 259 N 0.86 0.35 0.27 2.92 -7.23 0.01 -4.98 120.40 112.60 3lup s VAL 259 Ca 0.04 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3lup s VAL 259 Cb -0.13 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 3lup s VAL 259 CO 0.03 -0.82 0.46 -0.44 -0.31 0.00 0.00 175.10 174.02 3lup s SER 260 N -2.57 6.35 0.55 4.85 0.01 -1.26 -2.20 113.70 119.43 3lup s SER 260 Ca 0.03 0.40 -0.10 0.00 1.31 0.00 0.00 55.95 57.59 3lup s SER 260 Cb 0.02 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 3lup s SER 260 CO -0.06 -0.16 0.93 -0.36 0.41 0.00 0.00 173.24 174.00 3lup s PHE 261 N -2.07 3.58 0.15 2.43 0.08 -0.68 -4.81 117.98 116.66 3lup s PHE 261 Ca 0.39 1.13 0.02 0.00 0.12 0.00 0.00 56.93 58.59 3lup s PHE 261 Cb -0.10 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 39.81 3lup s PHE 261 CO 0.32 -0.48 0.21 0.41 -0.10 0.00 0.00 175.22 175.58 3lup n GLY 262 N -2.38 1.89 0.21 4.36 0.00 -1.26 -4.90 105.19 103.11 3lup n GLY 262 Ca 0.04 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.97 3lup n GLY 262 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3lup h GLY 263 N 0.02 0.00 0.76 -0.02 0.00 -1.97 -1.12 103.07 100.74 3lup h GLY 263 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3lup h GLY 263 CO 0.10 0.00 -0.27 -2.08 0.00 0.00 0.00 176.54 174.29 3lup h VAL 264 N 0.00 0.43 0.14 4.60 2.07 -1.95 -0.49 116.25 121.05 3lup h VAL 264 Ca -0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 3lup h VAL 264 Cb 0.63 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3lup h VAL 264 CO 0.04 0.00 -1.33 0.40 0.02 0.00 0.00 177.57 176.70 3lup h ILE 265 N -0.61 1.41 -0.71 4.57 2.04 -1.93 -3.21 117.51 119.07 3lup h ILE 265 Ca -0.02 -2.97 0.13 0.00 1.00 0.00 0.00 64.86 63.00 3lup h ILE 265 Cb 0.54 2.93 -0.09 0.00 -0.74 0.00 0.00 36.82 39.46 3lup h ILE 265 CO -0.02 0.87 0.26 0.00 0.00 0.00 0.00 178.15 179.26 3lup h ALA 266 N 0.51 0.97 -0.91 1.87 0.00 -1.24 0.68 119.26 121.13 3lup h ALA 266 Ca -0.17 0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.10 3lup h ALA 266 Cb 2.01 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.76 3lup h ALA 266 CO 0.21 -0.22 0.38 1.15 0.00 0.00 0.00 179.25 180.77 3lup h THR 267 N 0.41 0.40 0.00 0.00 2.02 -1.08 0.52 112.91 115.18 3lup h THR 267 Ca 0.38 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.36 3lup h THR 267 Cb 0.56 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3lup h THR 267 CO -0.39 0.06 -1.64 1.41 0.37 0.00 0.00 175.52 175.33 3lup n HIS 268 N -5.10 0.51 -0.05 3.16 8.25 -0.58 -4.32 115.22 117.09 3lup n HIS 268 Ca 0.24 0.16 -0.06 0.00 -0.26 0.00 0.00 57.72 57.80 3lup n HIS 268 Cb 0.73 -0.84 -0.15 0.00 1.12 0.00 0.00 29.99 30.85 3lup n HIS 268 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3lup n LEU 269 N -2.59 0.28 0.00 2.41 4.32 0.13 -1.38 117.00 120.17 3lup n LEU 269 Ca -0.08 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 3lup n LEU 269 Cb 0.71 0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.82 3lup n LEU 269 CO 0.43 0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.58 3lup n GLY 270 N 1.60 -0.59 3.84 -0.72 0.00 0.18 -4.63 105.19 104.87 3lup n GLY 270 Ca -0.23 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 3lup n GLY 270 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lup s GLU 271 N -2.06 3.45 0.00 1.61 2.12 -1.26 -3.96 118.70 118.59 3lup s GLU 271 Ca 0.00 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.25 3lup s GLU 271 Cb 0.00 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.33 3lup s GLU 271 CO 0.00 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 3lup n GLY 272 N -2.01 0.72 3.80 -1.50 0.00 -0.17 -4.42 105.19 101.60 3lup n GLY 272 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3lup n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lup s ALA 273 N -2.89 2.96 0.01 4.61 0.00 -1.25 -3.89 121.76 121.30 3lup s ALA 273 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3lup s ALA 273 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3lup s ALA 273 CO 0.00 -0.20 -0.06 0.54 0.00 0.00 0.00 175.76 176.04 3lup s VAL 274 N -1.93 0.44 0.17 0.00 0.11 -0.29 -1.62 120.40 117.27 3lup s VAL 274 Ca 0.64 -0.54 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 3lup s VAL 274 Cb -0.16 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3lup s VAL 274 CO 0.20 -0.08 0.33 0.00 -3.33 0.00 0.00 175.10 172.22 3lup s ALA 275 N -0.61 -0.17 0.16 1.54 0.00 0.41 0.19 121.76 123.28 3lup s ALA 275 Ca -0.03 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.23 3lup s ALA 275 Cb -0.05 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3lup s ALA 275 CO 0.00 -0.67 -0.14 -0.59 0.00 0.00 0.00 175.76 174.36 3lup s PHE 276 N -3.95 1.49 -0.01 0.00 -0.71 0.60 -1.13 117.98 114.27 3lup s PHE 276 Ca 0.15 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.45 3lup s PHE 276 Cb 0.03 -0.74 0.00 0.00 -1.21 0.00 0.00 43.02 41.10 3lup s PHE 276 CO -0.01 0.21 -0.02 0.20 -1.34 0.00 0.00 175.22 174.26 3lup s GLY 277 N -2.89 0.15 0.09 1.99 0.00 -0.26 -1.32 107.32 105.09 3lup s GLY 277 Ca 0.15 -0.07 0.09 0.00 0.00 0.00 0.00 44.72 44.89 3lup s GLY 277 CO 0.04 0.03 -0.19 -0.26 0.00 0.00 0.00 173.10 172.72 3lup s ILE 278 N 0.13 2.77 -0.01 0.90 -4.36 -0.52 -0.80 121.20 119.31 3lup s ILE 278 Ca -0.01 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 3lup s ILE 278 Cb -0.03 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.46 3lup s ILE 278 CO -0.00 0.17 0.01 -0.89 0.24 0.00 0.00 174.94 174.47 3lup s THR 279 N -1.07 -0.02 0.40 8.37 2.01 -0.40 -2.73 115.64 122.20 3lup s THR 279 Ca 0.17 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.00 3lup s THR 279 Cb -0.10 -0.05 -0.10 0.00 0.01 0.00 0.00 72.50 72.25 3lup s THR 279 CO 0.08 0.04 1.38 -2.65 -0.69 0.00 0.00 174.62 172.79 3lup n PRO 280 N 3.59 2.29 -2.12 4.92 -0.02 -1.26 0.12 135.00 142.52 3lup n PRO 280 Ca -0.19 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 3lup n PRO 280 Cb 0.55 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3lup n PRO 280 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lup s LYS 281 N -2.15 4.35 0.00 -0.52 1.02 0.12 -4.68 119.74 117.88 3lup s LYS 281 Ca 0.57 2.20 0.06 0.00 0.02 0.00 0.00 55.97 58.82 3lup s LYS 281 Cb -0.50 -3.09 0.38 0.00 -0.52 0.00 0.00 37.83 34.10 3lup s LYS 281 CO 0.61 -0.22 0.84 -1.71 -0.92 0.00 0.00 175.35 173.95