#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l4s s MET 2 N 0.00 1.92 -0.02 1.09 0.00 -1.26 -4.79 119.30 116.24 1l4s s MET 2 Ca 0.00 -2.15 0.04 0.00 0.00 0.00 0.00 55.69 53.58 1l4s s MET 2 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 34.83 33.88 1l4s s MET 2 CO 0.00 -0.36 -0.13 1.21 0.00 0.00 0.00 175.02 175.74 1l4s s ASN 3 N -3.64 4.16 -0.08 -1.18 3.84 -1.15 -5.04 114.94 111.85 1l4s s ASN 3 Ca 0.24 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.09 1l4s s ASN 3 Cb 0.04 -0.87 0.02 0.00 -0.55 0.00 0.00 41.25 39.89 1l4s s ASN 3 CO 0.13 0.31 -0.07 -0.63 -2.79 0.00 0.00 177.10 174.05 1l4s s ILE 4 N -0.84 0.84 0.09 -5.21 1.01 -1.26 -0.67 121.20 115.16 1l4s s ILE 4 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1l4s s ILE 4 Cb -0.11 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1l4s s ILE 4 CO 0.03 0.32 -0.08 0.42 0.00 0.00 0.00 174.94 175.63 1l4s s THR 5 N 1.39 0.76 -0.21 2.92 -4.23 -0.27 -4.89 115.64 111.11 1l4s s THR 5 Ca -0.02 -1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 58.47 1l4s s THR 5 Cb -0.13 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.33 1l4s s THR 5 CO -0.04 -0.72 0.83 -0.94 -0.54 0.00 0.00 174.62 173.21 1l4s s SER 6 N -2.71 -0.60 -0.06 3.99 1.04 -1.26 0.14 113.70 114.24 1l4s s SER 6 Ca 0.08 1.01 0.20 0.00 0.48 0.00 0.00 55.95 57.71 1l4s s SER 6 Cb 0.01 0.97 0.67 0.00 0.10 0.00 0.00 66.02 67.77 1l4s s SER 6 CO -0.03 -0.31 1.57 0.29 0.98 0.00 0.00 173.24 175.75 1l4s n LYS 7 N 1.94 3.26 -1.05 4.02 5.02 -1.25 -4.21 118.16 125.89 1l4s n LYS 7 Ca -0.14 -2.76 0.02 0.00 -2.02 0.00 0.00 58.31 53.40 1l4s n LYS 7 Cb 0.56 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1l4s n LYS 7 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1l4s n GLN 8 N 1.31 0.00 0.00 1.97 6.02 -1.26 -5.11 117.38 120.30 1l4s n GLN 8 Ca 0.25 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1l4s n GLN 8 Cb 0.76 -0.15 0.00 0.00 1.02 0.00 0.00 30.24 31.87 1l4s n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1l4s n MET 9 N 0.26 -0.76 -4.23 -1.09 2.81 -1.26 -5.02 117.12 107.83 1l4s n MET 9 Ca 0.01 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 1l4s n MET 9 Cb 0.92 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.35 1l4s n MET 9 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1l4s s GLU 10 N -2.00 2.17 -0.48 0.03 1.03 -1.26 -4.52 118.70 113.67 1l4s s GLU 10 Ca 0.00 -1.83 -0.22 0.00 0.03 0.00 0.00 54.97 52.95 1l4s s GLU 10 Cb 0.00 -1.95 0.04 0.00 -0.80 0.00 0.00 34.13 31.42 1l4s s GLU 10 CO 0.00 -0.03 0.76 0.42 -1.33 0.00 0.00 175.26 175.07 1l4s s ILE 11 N -2.58 4.67 0.13 1.83 -1.09 -1.26 -5.02 121.20 117.88 1l4s s ILE 11 Ca 0.39 0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.90 1l4s s ILE 11 Cb 0.03 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 1l4s s ILE 11 CO 0.21 -0.81 0.32 0.42 -1.23 0.00 0.00 174.94 173.86 1l4s s THR 12 N 3.20 5.25 0.57 2.92 -4.23 -1.26 -4.97 115.64 117.12 1l4s s THR 12 Ca 0.25 -0.19 0.27 0.00 -1.18 0.00 0.00 61.69 60.84 1l4s s THR 12 Cb -0.14 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.41 1l4s s THR 12 CO 0.19 0.03 2.06 1.55 -0.54 0.00 0.00 174.62 177.90 1l4s h PRO 13 N 2.73 0.00 -0.15 3.99 0.13 -1.97 0.14 132.00 136.86 1l4s h PRO 13 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1l4s h PRO 13 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1l4s h PRO 13 CO 0.73 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.19 1l4s h ALA 14 N 1.74 0.24 0.00 -0.56 0.00 -1.97 0.58 119.26 119.29 1l4s h ALA 14 Ca 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1l4s h ALA 14 Cb 0.64 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1l4s h ALA 14 CO -0.00 0.27 -0.48 0.82 0.00 0.00 0.00 179.25 179.86 1l4s h ILE 15 N 0.10 1.14 0.02 0.00 2.04 -1.60 0.13 117.51 119.34 1l4s h ILE 15 Ca 0.01 -1.78 -0.15 0.00 1.00 0.00 0.00 64.86 63.93 1l4s h ILE 15 Cb 0.90 2.02 0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1l4s h ILE 15 CO 0.07 0.47 -0.59 0.03 0.00 0.00 0.00 178.15 178.13 1l4s h ARG 16 N 0.00 0.37 -0.50 2.37 3.08 -0.68 -2.58 114.38 116.45 1l4s h ARG 16 Ca -0.00 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 1l4s h ARG 16 Cb 0.98 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1l4s h ARG 16 CO 0.06 1.10 -0.16 0.37 -1.07 0.00 0.00 179.97 180.27 1l4s h GLN 17 N -0.18 0.99 0.79 0.04 5.75 0.26 0.41 115.11 123.17 1l4s h GLN 17 Ca -0.08 -0.40 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 1l4s h GLN 17 Cb 1.32 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.84 1l4s h GLN 17 CO 0.12 1.07 -0.38 1.25 -2.65 0.00 0.00 178.83 178.24 1l4s h HIS 18 N 0.85 -0.99 -0.25 3.99 2.76 -0.81 0.99 115.15 121.69 1l4s h HIS 18 Ca 0.12 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1l4s h HIS 18 Cb 0.73 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 1l4s h HIS 18 CO 0.05 -0.61 0.17 0.28 -1.30 0.00 0.00 177.93 176.52 1l4s h VAL 19 N -1.09 1.07 -0.98 5.26 2.07 -1.47 -2.49 116.25 118.61 1l4s h VAL 19 Ca -0.11 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1l4s h VAL 19 Cb 0.82 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1l4s h VAL 19 CO 0.18 0.06 0.65 0.00 0.02 0.00 0.00 177.57 178.48 1l4s h ALA 20 N 1.09 1.33 -0.50 1.67 0.00 -0.06 -1.38 119.26 121.42 1l4s h ALA 20 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1l4s h ALA 20 Cb -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1l4s h ALA 20 CO -0.02 0.60 0.33 0.38 0.00 0.00 0.00 179.25 180.54 1l4s h ASP 21 N 1.28 0.54 1.13 0.00 3.04 0.15 -0.00 116.42 122.57 1l4s h ASP 21 Ca 0.37 -0.01 -0.09 0.00 -3.24 0.00 0.00 57.03 54.06 1l4s h ASP 21 Cb -0.08 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.06 1l4s h ASP 21 CO -0.10 0.39 -0.42 0.03 -2.04 0.00 0.00 179.24 177.10 1l4s h ARG 22 N 0.64 0.00 0.39 4.15 2.47 -0.93 -2.92 114.38 118.17 1l4s h ARG 22 Ca 0.19 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1l4s h ARG 22 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1l4s h ARG 22 CO -0.04 0.42 -0.19 -0.07 0.56 0.00 0.00 179.97 180.65 1l4s h LEU 23 N 0.00 -0.44 -2.73 3.04 3.38 -0.09 -1.87 115.31 116.59 1l4s h LEU 23 Ca -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1l4s h LEU 23 Cb 1.10 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1l4s h LEU 23 CO 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 178.44 178.51 1l4s h ALA 24 N -0.45 1.18 0.01 1.53 0.00 -1.49 -0.30 119.26 119.75 1l4s h ALA 24 Ca -0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1l4s h ALA 24 Cb 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l4s h ALA 24 CO 0.09 0.01 -0.97 -0.22 0.00 0.00 0.00 179.25 178.15 1l4s h LYS 25 N 0.00 0.03 -2.81 0.00 3.11 -1.31 -3.34 116.57 112.25 1l4s h LYS 25 Ca -0.00 -0.05 -0.59 0.00 -2.81 0.00 0.00 60.65 57.20 1l4s h LYS 25 Cb 0.03 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1l4s h LYS 25 CO 0.00 0.97 3.09 1.28 -2.81 0.00 0.00 179.45 181.98 1l4s n LEU 26 N -3.43 8.15 0.00 5.20 4.77 -0.12 -4.75 117.00 126.81 1l4s n LEU 26 Ca -0.01 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1l4s n LEU 26 Cb 0.90 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1l4s n LEU 26 CO 0.47 2.01 0.26 -0.62 -1.33 0.00 0.00 177.39 178.19 1l4s n GLU 27 N 3.34 0.00 -0.13 3.23 1.02 -1.26 -2.60 120.64 124.25 1l4s n GLU 27 Ca 0.72 0.17 0.28 0.00 -0.02 0.00 0.00 57.16 58.30 1l4s n GLU 27 Cb 0.35 -1.03 0.71 0.00 -0.02 0.00 0.00 31.44 31.45 1l4s n GLU 27 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1l4s h LYS 28 N 0.00 0.00 -2.20 3.49 2.10 -1.96 -1.90 116.57 116.11 1l4s h LYS 28 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 1l4s h LYS 28 Cb 0.00 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.19 1l4s h LYS 28 CO 0.00 0.00 0.93 0.91 -2.00 0.00 0.00 179.45 179.29 1l4s n TRP 29 N -3.93 1.64 -2.68 0.07 7.02 -1.07 -4.33 117.44 114.16 1l4s n TRP 29 Ca 0.17 -2.14 -0.09 0.00 -1.02 0.00 0.00 57.50 54.42 1l4s n TRP 29 Cb 0.99 -1.57 0.05 0.00 -2.42 0.00 0.00 31.31 28.36 1l4s n TRP 29 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1l4s n GLN 30 N 1.44 1.15 0.00 -0.99 0.00 -0.71 -4.87 117.38 113.41 1l4s n GLN 30 Ca 0.53 -2.84 0.00 0.00 -0.00 0.00 0.00 57.00 54.69 1l4s n GLN 30 Cb 0.52 -0.91 0.00 0.00 0.00 0.00 0.00 30.24 29.85 1l4s n GLN 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1l4s n THR 31 N -0.20 0.00 -1.45 1.69 -2.24 -1.26 -4.85 114.28 105.97 1l4s n THR 31 Ca 0.06 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.35 1l4s n THR 31 Cb 0.82 -1.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.20 1l4s n THR 31 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1l4s n HIS 32 N -1.24 1.47 -4.15 4.78 -0.00 -1.26 -4.93 115.22 109.90 1l4s n HIS 32 Ca 0.00 0.29 -0.15 0.00 -0.00 0.00 0.00 57.72 57.86 1l4s n HIS 32 Cb 0.00 -2.52 -0.13 0.00 -0.00 0.00 0.00 29.99 27.34 1l4s n HIS 32 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1l4s s LEU 33 N 7.87 2.15 -0.17 2.41 1.43 -1.26 -4.20 118.68 126.91 1l4s s LEU 33 Ca 1.11 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1l4s s LEU 33 Cb -0.86 -0.28 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1l4s s LEU 33 CO 0.48 -0.07 0.06 -0.63 0.23 0.00 0.00 176.35 176.41 1l4s s ILE 34 N -0.85 0.24 -0.53 -0.59 1.09 -0.76 -4.96 121.20 114.84 1l4s s ILE 34 Ca -0.04 -0.30 -0.18 0.00 -1.10 0.00 0.00 60.65 59.04 1l4s s ILE 34 Cb -0.07 -0.77 0.02 0.00 -1.06 0.00 0.00 42.46 40.59 1l4s s ILE 34 CO 0.00 -0.18 0.64 0.59 -0.10 0.00 0.00 174.94 175.89 1l4s n ASN 35 N 5.16 -6.93 -4.79 3.58 3.02 -1.26 -4.36 115.26 109.68 1l4s n ASN 35 Ca -0.08 0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1l4s n ASN 35 Cb 0.48 -3.97 -0.07 0.00 -0.61 0.00 0.00 39.78 35.62 1l4s n ASN 35 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1l4s s PRO 36 N -2.89 4.50 -0.05 3.52 0.04 -1.26 -4.72 135.00 134.14 1l4s s PRO 36 Ca 0.22 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1l4s s PRO 36 Cb -0.04 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.87 1l4s s PRO 36 CO 0.81 0.21 -0.04 -1.58 0.04 0.00 0.00 177.00 176.43 1l4s s HIS 37 N -1.75 0.74 -0.07 0.56 2.46 -0.95 -2.93 115.29 113.33 1l4s s HIS 37 Ca 0.53 -0.20 0.05 0.00 0.47 0.00 0.00 55.06 55.91 1l4s s HIS 37 Cb -0.16 -0.67 -0.01 0.00 -0.13 0.00 0.00 32.58 31.61 1l4s s HIS 37 CO 0.21 -0.20 -0.24 0.42 -2.47 0.00 0.00 174.74 172.46 1l4s s ILE 38 N 0.99 2.14 0.19 0.89 1.09 0.16 -1.32 121.20 125.33 1l4s s ILE 38 Ca -0.10 -1.02 0.10 0.00 -1.10 0.00 0.00 60.65 58.53 1l4s s ILE 38 Cb -0.14 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 1l4s s ILE 38 CO -0.00 0.57 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.62 1l4s s ILE 39 N 0.00 2.89 -0.09 2.92 1.01 0.16 -1.11 121.20 126.97 1l4s s ILE 39 Ca -0.08 -1.80 0.01 0.00 0.00 0.00 0.00 60.65 58.78 1l4s s ILE 39 Cb -0.15 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1l4s s ILE 39 CO 0.05 -0.11 -0.13 -0.76 0.00 0.00 0.00 174.94 173.99 1l4s s LEU 40 N -2.78 1.59 0.00 2.97 1.43 0.12 -1.18 118.68 120.84 1l4s s LEU 40 Ca 0.23 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1l4s s LEU 40 Cb -0.08 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1l4s s LEU 40 CO 0.13 -0.00 0.03 -1.20 0.23 0.00 0.00 176.35 175.54 1l4s n SER 41 N 4.20 2.43 -3.65 2.29 7.64 0.16 -3.84 113.62 122.85 1l4s n SER 41 Ca -0.19 -2.54 -0.13 0.00 1.01 0.00 0.00 58.87 57.02 1l4s n SER 41 Cb 0.51 0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 64.03 1l4s n SER 41 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1l4s s LYS 42 N -3.22 0.75 0.12 1.43 2.36 -1.26 -2.15 119.74 117.77 1l4s s LYS 42 Ca 0.04 0.96 0.05 0.00 -2.55 0.00 0.00 55.97 54.48 1l4s s LYS 42 Cb 0.00 0.33 -0.04 0.00 -1.05 0.00 0.00 37.83 37.07 1l4s s LYS 42 CO 0.03 -0.10 -0.12 -1.21 1.55 0.00 0.00 175.35 175.49 1l4s s GLU 43 N 0.59 0.97 0.61 4.03 2.02 0.26 -4.94 118.70 122.24 1l4s s GLU 43 Ca -0.02 -1.24 0.28 0.00 0.02 0.00 0.00 54.97 54.01 1l4s s GLU 43 Cb -0.05 -0.76 1.42 0.00 0.10 0.00 0.00 34.13 34.85 1l4s s GLU 43 CO -0.03 0.13 1.83 -1.35 0.02 0.00 0.00 175.26 175.86 1l4s h PRO 44 N 3.44 0.00 -0.00 0.39 0.11 -2.02 0.61 132.00 134.52 1l4s h PRO 44 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1l4s h PRO 44 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1l4s h PRO 44 CO 0.53 0.00 -0.31 1.04 -0.21 0.00 0.00 178.00 179.05 1l4s n GLN 45 N -3.50 0.57 -2.02 1.05 6.02 -1.26 -5.04 117.38 113.19 1l4s n GLN 45 Ca 0.08 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1l4s n GLN 45 Cb 0.70 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.47 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1l4s n GLY 46 N 1.38 0.12 3.69 1.08 0.00 0.21 -4.58 105.19 107.10 1l4s n GLY 46 Ca 0.10 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 1l4s n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l4s s PHE 47 N -2.87 2.90 -0.02 1.61 0.40 -0.89 0.89 117.98 120.01 1l4s s PHE 47 Ca 0.00 -0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1l4s s PHE 47 Cb 0.00 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 1l4s s PHE 47 CO 0.00 0.53 -0.14 0.08 0.70 0.00 0.00 175.22 176.39 1l4s s VAL 48 N -1.79 1.11 -0.09 -0.44 1.01 -0.91 -2.73 120.40 116.55 1l4s s VAL 48 Ca 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1l4s s VAL 48 Cb -0.09 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1l4s s VAL 48 CO 0.20 0.32 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 1l4s s ALA 49 N -0.24 1.18 0.13 5.51 0.00 0.37 0.36 121.76 129.07 1l4s s ALA 49 Ca 0.04 -0.43 0.11 0.00 0.00 0.00 0.00 51.96 51.68 1l4s s ALA 49 Cb -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1l4s s ALA 49 CO -0.00 -0.28 -0.26 -0.51 0.00 0.00 0.00 175.76 174.71 1l4s s ASP 50 N 1.45 3.37 -0.07 0.00 1.11 -0.32 -0.53 116.67 121.68 1l4s s ASP 50 Ca -0.01 -0.73 -0.06 0.00 0.18 0.00 0.00 52.55 51.94 1l4s s ASP 50 Cb -0.13 -0.25 0.02 0.00 1.07 0.00 0.00 42.92 43.62 1l4s s ASP 50 CO -0.05 0.18 0.19 0.00 1.18 0.00 0.00 175.17 176.68 1l4s s ALA 51 N -1.06 -0.47 -0.04 5.23 0.00 -0.57 0.38 121.76 125.24 1l4s s ALA 51 Ca 0.14 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1l4s s ALA 51 Cb -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1l4s s ALA 51 CO 0.06 -0.10 -0.03 0.99 0.00 0.00 0.00 175.76 176.68 1l4s s THR 52 N 0.17 0.43 -0.03 0.00 2.01 -0.44 -2.31 115.64 115.47 1l4s s THR 52 Ca -0.01 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1l4s s THR 52 Cb -0.02 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1l4s s THR 52 CO -0.00 0.19 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.41 1l4s s ILE 53 N 0.81 0.73 -0.15 1.82 1.01 -0.74 -2.25 121.20 122.44 1l4s s ILE 53 Ca -0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1l4s s ILE 53 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1l4s s ILE 53 CO -0.00 0.23 0.07 0.20 0.00 0.00 0.00 174.94 175.45 1l4s s ASN 54 N 0.27 5.79 0.11 3.58 0.01 -1.26 -1.69 114.94 121.74 1l4s s ASN 54 Ca -0.04 0.20 0.04 0.00 -0.71 0.00 0.00 52.86 52.35 1l4s s ASN 54 Cb -0.09 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 1l4s s ASN 54 CO 0.00 0.28 -0.10 0.42 -1.51 0.00 0.00 177.10 176.19 1l4s s THR 55 N -0.24 0.97 -1.27 1.60 -4.23 -0.00 -1.82 115.64 110.65 1l4s s THR 55 Ca 0.08 -1.81 0.12 0.00 -1.18 0.00 0.00 61.69 58.91 1l4s s THR 55 Cb -0.12 -1.55 0.17 0.00 1.34 0.00 0.00 72.50 72.34 1l4s s THR 55 CO 0.01 -0.67 1.34 -0.81 -0.54 0.00 0.00 174.62 173.96 1l4s n PRO 56 N 0.24 0.11 -0.34 3.99 -0.04 -1.26 -2.34 135.00 135.35 1l4s n PRO 56 Ca -0.14 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1l4s n PRO 56 Cb 0.59 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.68 1l4s n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1l4s n ASN 57 N -1.37 1.78 0.00 3.54 3.02 -1.26 -5.10 115.26 115.86 1l4s n ASN 57 Ca 0.05 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1l4s n ASN 57 Cb 0.12 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1l4s n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l4s n GLY 58 N -1.04 0.95 3.00 7.41 0.00 -0.99 -5.12 105.19 109.40 1l4s n GLY 58 Ca 0.14 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1l4s n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l4s s VAL 59 N -2.29 0.04 0.02 1.61 1.01 -1.26 -0.82 120.40 118.71 1l4s s VAL 59 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1l4s s VAL 59 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1l4s s VAL 59 CO 0.00 -0.20 -0.24 -0.76 0.00 0.00 0.00 175.10 173.91 1l4s s LEU 60 N -0.62 2.27 -0.00 3.92 1.02 -0.68 -5.02 118.68 119.57 1l4s s LEU 60 Ca -0.07 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 53.58 1l4s s LEU 60 Cb -0.04 -1.37 -0.00 0.00 0.02 0.00 0.00 46.19 44.79 1l4s s LEU 60 CO 0.00 0.28 0.02 -0.69 0.02 0.00 0.00 176.35 175.99 1l4s s VAL 61 N -0.76 0.02 0.04 -1.59 1.01 -1.26 -1.79 120.40 116.07 1l4s s VAL 61 Ca 0.12 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1l4s s VAL 61 Cb -0.10 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 36.21 1l4s s VAL 61 CO 0.02 -0.11 0.43 0.00 0.00 0.00 0.00 175.10 175.43 1l4s s ALA 62 N -0.33 -1.05 0.07 5.51 0.00 -0.98 -4.85 121.76 120.14 1l4s s ALA 62 Ca -0.04 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 1l4s s ALA 62 Cb -0.02 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1l4s s ALA 62 CO -0.00 -0.45 0.13 -1.54 0.00 0.00 0.00 175.76 173.90 1l4s s SER 63 N -1.95 0.21 -0.28 0.00 1.04 -1.26 -1.51 113.70 109.96 1l4s s SER 63 Ca -0.06 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1l4s s SER 63 Cb -0.01 0.30 0.16 0.00 0.10 0.00 0.00 66.02 66.57 1l4s s SER 63 CO -0.02 -0.68 0.42 -0.83 0.98 0.00 0.00 173.24 173.11 1l4s s GLY 64 N -2.81 -0.59 -0.64 7.32 0.00 0.31 -4.16 107.32 106.75 1l4s s GLY 64 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1l4s s GLY 64 CO -0.10 3.00 1.80 0.28 0.00 0.00 0.00 173.10 178.08 1l4s n LYS 65 N 5.36 2.94 -1.95 2.90 4.01 -1.26 -0.48 118.16 129.69 1l4s n LYS 65 Ca -0.00 -3.64 -0.32 0.00 -0.51 0.00 0.00 58.31 53.84 1l4s n LYS 65 Cb 0.50 -2.28 0.02 0.00 -0.51 0.00 0.00 35.03 32.76 1l4s n LYS 65 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1l4s s HIS 66 N -3.84 3.09 0.56 2.13 2.46 -1.11 -4.66 115.29 113.93 1l4s s HIS 66 Ca 0.57 1.48 0.24 0.00 0.47 0.00 0.00 55.06 57.81 1l4s s HIS 66 Cb 0.46 -2.94 1.58 0.00 -0.13 0.00 0.00 32.58 31.55 1l4s s HIS 66 CO -0.15 -1.05 2.20 1.05 -2.47 0.00 0.00 174.74 174.32 1l4s h GLU 67 N 0.15 0.00 -4.94 2.88 4.11 -1.81 -2.35 114.58 112.62 1l4s h GLU 67 Ca -0.46 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.31 1l4s h GLU 67 Cb 1.21 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.29 1l4s h GLU 67 CO 0.58 0.01 -0.33 0.34 0.07 0.00 0.00 179.01 179.67 1l4s s ASP 68 N -6.54 6.16 0.28 3.06 2.15 -1.26 -3.92 116.67 116.59 1l4s s ASP 68 Ca -0.05 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.79 1l4s s ASP 68 Cb 0.16 -2.18 0.68 0.00 -0.30 0.00 0.00 42.92 41.28 1l4s s ASP 68 CO 0.60 -0.27 1.67 -0.03 -0.17 0.00 0.00 175.17 176.97 1l4s h MET 69 N 8.41 0.27 -0.44 4.34 1.85 -1.89 0.32 114.93 127.81 1l4s h MET 69 Ca -0.31 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 58.68 1l4s h MET 69 Cb 1.15 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 1l4s h MET 69 CO 0.66 0.18 -0.05 1.88 -0.40 0.00 0.00 176.91 179.18 1l4s h TYR 70 N 0.28 0.90 -0.48 1.39 -1.99 -1.94 -2.49 116.97 112.64 1l4s h TYR 70 Ca 0.53 -0.17 -0.08 0.00 2.00 0.00 0.00 58.73 61.01 1l4s h TYR 70 Cb 1.03 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.52 1l4s h TYR 70 CO -0.22 0.89 -0.03 1.15 -0.00 0.00 0.00 178.16 179.95 1l4s h THR 71 N 0.65 1.25 0.27 -2.88 2.02 -1.20 -1.22 112.91 111.79 1l4s h THR 71 Ca 0.12 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1l4s h THR 71 Cb 0.57 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1l4s h THR 71 CO 0.03 0.38 -0.13 0.00 0.37 0.00 0.00 175.52 176.17 1l4s h ALA 72 N 1.19 -0.36 -0.79 6.16 0.00 -0.35 0.46 119.26 125.57 1l4s h ALA 72 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1l4s h ALA 72 Cb 0.51 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1l4s h ALA 72 CO 0.03 -0.65 0.43 0.82 0.00 0.00 0.00 179.25 179.87 1l4s h ILE 73 N -0.46 1.24 -0.77 0.00 2.04 -1.40 0.13 117.51 118.28 1l4s h ILE 73 Ca -0.04 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1l4s h ILE 73 Cb 0.35 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1l4s h ILE 73 CO 0.06 0.26 0.27 -1.13 0.00 0.00 0.00 178.15 177.61 1l4s h ASN 74 N 1.09 1.10 -0.51 1.72 -0.73 -1.04 -2.58 115.58 114.64 1l4s h ASN 74 Ca 0.28 -0.19 -0.08 0.00 1.87 0.00 0.00 56.30 58.17 1l4s h ASN 74 Cb 0.03 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 1l4s h ASN 74 CO -0.04 1.00 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.67 1l4s h GLU 75 N 1.14 0.91 0.22 6.67 5.08 0.59 -1.13 114.58 128.06 1l4s h GLU 75 Ca 0.25 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1l4s h GLU 75 Cb 0.27 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1l4s h GLU 75 CO -0.01 0.94 -0.40 1.25 -1.00 0.00 0.00 179.01 179.78 1l4s h LEU 76 N 0.77 -1.17 -2.03 1.33 6.46 -0.43 0.81 115.31 121.05 1l4s h LEU 76 Ca 0.14 0.11 0.11 0.00 -0.12 0.00 0.00 57.88 58.12 1l4s h LEU 76 Cb 0.54 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1l4s h LEU 76 CO 0.03 -0.47 0.29 0.40 -0.62 0.00 0.00 178.44 178.07 1l4s h ILE 77 N -0.67 0.73 -0.12 4.05 2.04 -1.47 0.47 117.51 122.53 1l4s h ILE 77 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1l4s h ILE 77 Cb 0.63 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1l4s h ILE 77 CO -0.15 0.00 0.08 -1.13 0.00 0.00 0.00 178.15 176.95 1l4s h ASN 78 N 0.00 0.06 0.79 1.72 -0.73 0.45 -0.41 115.58 117.45 1l4s h ASN 78 Ca 0.18 -0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.13 1l4s h ASN 78 Cb 0.75 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.29 1l4s h ASN 78 CO -0.00 0.04 -1.32 0.11 -0.37 0.00 0.00 177.43 175.89 1l4s h LYS 79 N 0.07 0.00 -0.09 6.67 1.79 0.10 -2.55 116.57 122.55 1l4s h LYS 79 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1l4s h LYS 79 Cb 0.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1l4s h LYS 79 CO -0.01 0.53 0.03 -0.07 -1.08 0.00 0.00 179.45 178.85 1l4s h LEU 80 N 0.00 0.13 -0.01 2.94 3.38 -0.38 0.47 115.31 121.84 1l4s h LEU 80 Ca -0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1l4s h LEU 80 Cb 1.75 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 1l4s h LEU 80 CO 0.08 0.28 0.01 -0.08 0.09 0.00 0.00 178.44 178.82 1l4s h GLU 81 N -0.03 0.02 0.00 1.13 4.81 -1.25 -1.81 114.58 117.45 1l4s h GLU 81 Ca 0.03 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1l4s h GLU 81 Cb 0.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1l4s h GLU 81 CO -0.00 0.02 -0.11 0.00 -0.73 0.00 0.00 179.01 178.19 1l4s h ARG 82 N 0.01 0.00 -0.05 1.92 3.08 -1.28 -2.33 114.38 115.73 1l4s h ARG 82 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1l4s h ARG 82 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1l4s h ARG 82 CO -0.00 0.11 -0.34 1.96 -1.07 0.00 0.00 179.97 180.63 1l4s h GLN 83 N 0.00 0.32 0.00 0.04 4.20 0.54 -3.18 115.11 117.03 1l4s h GLN 83 Ca -0.00 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 1l4s h GLN 83 Cb 0.28 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1l4s h GLN 83 CO 0.01 0.93 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.83 1l4s h LEU 84 N -0.20 0.00 -1.88 1.46 3.38 -1.07 -1.87 115.31 115.13 1l4s h LEU 84 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1l4s h LEU 84 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1l4s h LEU 84 CO 0.07 0.21 -0.10 -1.13 0.09 0.00 0.00 178.44 177.57 1l4s h ASN 85 N 0.00 0.00 0.58 -0.43 -1.24 -1.41 -1.05 115.58 112.03 1l4s h ASN 85 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1l4s h ASN 85 Cb 0.40 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1l4s h ASN 85 CO 0.03 0.10 -0.61 0.07 -1.29 0.00 0.00 177.43 175.73 1l4s h LYS 86 N 0.00 0.03 0.00 6.67 5.09 -1.37 -2.80 116.57 124.19 1l4s h LYS 86 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1l4s h LYS 86 Cb 0.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.53 1l4s h LYS 86 CO 0.01 0.64 0.00 1.25 -2.09 0.00 0.00 179.45 179.26 1l4s h LEU 87 N 0.03 0.00 0.00 7.07 5.85 -1.20 -1.95 115.31 125.10 1l4s h LEU 87 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1l4s h LEU 87 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1l4s h LEU 87 CO 0.08 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 1l4s n GLN 88 N -2.41 0.27 0.05 1.25 6.02 -1.06 -3.14 117.38 118.37 1l4s n GLN 88 Ca 0.01 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 1l4s n GLN 88 Cb 0.17 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 1l4s n GLN 88 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1l4s h HIS 89 N 0.00 0.57 -4.20 1.08 3.86 -1.54 -3.47 115.15 111.46 1l4s h HIS 89 Ca 0.00 -0.42 -0.51 0.00 -1.16 0.00 0.00 60.37 58.28 1l4s h HIS 89 Cb 0.28 -0.02 0.11 0.00 1.06 0.00 0.00 27.41 28.83 1l4s h HIS 89 CO 0.00 1.59 0.38 0.15 0.86 0.00 0.00 177.93 180.90 1l4s s LYS 90 N -2.59 2.75 0.47 2.45 1.02 -1.19 -4.93 119.74 117.73 1l4s s LYS 90 Ca -0.15 1.42 0.25 0.00 0.02 0.00 0.00 55.97 57.52 1l4s s LYS 90 Cb 0.06 -1.94 1.14 0.00 -0.52 0.00 0.00 37.83 36.57 1l4s s LYS 90 CO 0.84 -1.30 1.93 0.78 -0.92 0.00 0.00 175.35 176.68 1l4s h GLY 91 N 0.02 0.00 -7.31 -3.33 0.00 -1.91 -3.43 103.07 87.12 1l4s h GLY 91 Ca -0.47 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.34 1l4s h GLY 91 CO 0.54 0.00 1.59 1.18 0.00 0.00 0.00 176.54 179.85 1l4s n GLU 92 N -3.50 1.13 -3.62 4.80 1.02 -1.26 -4.89 120.64 114.33 1l4s n GLU 92 Ca -0.01 0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 57.14 1l4s n GLU 92 Cb 0.35 -3.04 -0.07 0.00 -0.02 0.00 0.00 31.44 28.66 1l4s n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l4s s ALA 93 N 10.31 -1.57 -0.26 0.62 0.00 -1.26 -4.96 121.76 124.65 1l4s s ALA 93 Ca 1.05 1.45 -0.04 0.00 0.00 0.00 0.00 51.96 54.42 1l4s s ALA 93 Cb -0.43 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1l4s s ALA 93 CO 0.34 -0.32 0.09 -2.13 0.00 0.00 0.00 175.76 173.73 1l4s n ARG 94 N 1.87 -3.78 -3.27 0.00 3.00 -1.26 -5.05 116.66 108.17 1l4s n ARG 94 Ca -0.17 2.96 -0.07 0.00 -0.00 0.00 0.00 57.85 60.58 1l4s n ARG 94 Cb 0.56 -5.15 -0.04 0.00 0.00 0.00 0.00 32.46 27.83 1l4s n ARG 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1l4s s ARG 95 N -1.27 0.56 0.16 -0.14 3.52 -1.26 -5.15 118.95 115.38 1l4s s ARG 95 Ca -0.10 -0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 55.27 1l4s s ARG 95 Cb 0.01 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.20 1l4s s ARG 95 CO 0.77 -1.10 0.42 0.00 -0.81 0.00 0.00 175.30 174.57 1l4s s ALA 96 N 2.23 -0.69 -0.20 6.12 0.00 -1.26 -5.13 121.76 122.83 1l4s s ALA 96 Ca 0.12 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1l4s s ALA 96 Cb -0.11 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.89 1l4s s ALA 96 CO -0.20 -0.71 0.42 0.00 0.00 0.00 0.00 175.76 175.28 1l4s s ALA 97 N -3.87 -1.16 0.29 0.00 0.00 -1.26 -5.15 121.76 110.61 1l4s s ALA 97 Ca 0.09 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 1l4s s ALA 97 Cb 0.01 -1.27 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 1l4s s ALA 97 CO -0.05 -0.68 1.16 0.95 0.00 0.00 0.00 175.76 177.14 1l4s s THR 98 N 2.42 3.28 0.03 0.00 -4.23 -1.26 -5.05 115.64 110.83 1l4s s THR 98 Ca -0.03 1.28 0.01 0.00 -1.18 0.00 0.00 61.69 61.77 1l4s s THR 98 Cb -0.11 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 1l4s s THR 98 CO -0.13 0.30 -0.05 -0.44 -0.54 0.00 0.00 174.62 173.76 1l4s s SER 99 N -0.75 0.51 0.00 3.99 0.01 -1.26 -5.05 113.70 111.16 1l4s s SER 99 Ca 0.46 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1l4s s SER 99 Cb -0.34 0.05 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1l4s s SER 99 CO 0.44 -0.21 0.00 0.52 0.41 0.00 0.00 173.24 174.40 1l4s n VAL 100 N 1.74 0.00 -0.88 3.43 0.31 -1.26 -5.11 118.33 116.56 1l4s n VAL 100 Ca -0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.81 1l4s n VAL 100 Cb 0.55 -0.64 0.17 0.00 -0.91 0.00 0.00 33.84 33.02 1l4s n VAL 100 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1l4s s LYS 101 N -1.99 0.67 0.76 5.55 1.02 -1.26 -5.02 119.74 119.47 1l4s s LYS 101 Ca 0.00 1.07 -0.12 0.00 0.02 0.00 0.00 55.97 56.94 1l4s s LYS 101 Cb 0.00 -1.72 0.05 0.00 -0.52 0.00 0.00 37.83 35.63 1l4s s LYS 101 CO 0.00 -2.72 1.12 -0.51 -0.92 0.00 0.00 175.35 172.32 1l4s s ASP 102 N -2.96 4.96 -0.12 2.83 1.01 -1.26 -5.02 116.67 116.12 1l4s s ASP 102 Ca 0.66 1.07 0.21 0.00 0.71 0.00 0.00 52.55 55.19 1l4s s ASP 102 Cb -0.21 -1.77 0.45 0.00 1.01 0.00 0.00 42.92 42.40 1l4s s ASP 102 CO 0.59 -1.65 1.17 0.00 0.21 0.00 0.00 175.17 175.50 1l4s n ALA 103 N -3.19 2.87 -0.02 5.23 0.00 -1.26 -5.03 120.51 119.10 1l4s n ALA 103 Ca 0.07 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1l4s n ALA 103 Cb 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1l4s n ALA 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1l4s n ASN 104 N -0.14 0.00 -3.94 0.00 5.15 -1.26 -4.68 115.26 110.39 1l4s n ASN 104 Ca 0.12 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.85 1l4s n ASN 104 Cb 0.97 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 40.17 1l4s n ASN 104 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1l4s n PHE 105 N 0.00 0.73 -4.26 1.20 -1.74 -1.26 -5.16 117.46 106.96 1l4s n PHE 105 Ca 0.00 -2.02 -0.17 0.00 -0.56 0.00 0.00 57.45 54.70 1l4s n PHE 105 Cb 0.00 -0.20 -0.14 0.00 1.52 0.00 0.00 39.48 40.66 1l4s n PHE 105 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1l4s s VAL 106 N -2.54 0.73 0.02 1.97 -7.23 -1.26 -5.02 120.40 107.06 1l4s s VAL 106 Ca 0.04 -0.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1l4s s VAL 106 Cb 0.00 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1l4s s VAL 106 CO 0.03 0.01 0.00 1.21 -0.31 0.00 0.00 175.10 176.05 1l4s n GLU 107 N 2.32 -5.00 -1.09 4.82 0.00 -1.26 -4.97 120.64 115.48 1l4s n GLU 107 Ca -0.16 3.65 -0.30 0.00 0.00 0.00 0.00 57.16 60.35 1l4s n GLU 107 Cb 0.56 -4.58 0.16 0.00 0.00 0.00 0.00 31.44 27.58 1l4s n GLU 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1l4s s GLU 108 N -0.68 0.91 -0.26 5.31 2.02 -1.26 -5.06 118.70 119.68 1l4s s GLU 108 Ca -0.01 0.85 -0.02 0.00 0.02 0.00 0.00 54.97 55.82 1l4s s GLU 108 Cb 0.00 -1.77 0.13 0.00 0.10 0.00 0.00 34.13 32.59 1l4s s GLU 108 CO 0.02 -2.49 0.30 0.14 0.02 0.00 0.00 175.26 173.25 1l4s s VAL 109 N -2.86 -0.43 -0.30 2.63 -7.23 -1.26 -5.11 120.40 105.83 1l4s s VAL 109 Ca 0.64 -0.31 -0.06 0.00 -1.81 0.00 0.00 61.98 60.45 1l4s s VAL 109 Cb -0.19 -0.88 0.16 0.00 0.56 0.00 0.00 36.38 36.03 1l4s s VAL 109 CO 0.58 -0.33 0.66 -0.70 -0.31 0.00 0.00 175.10 174.99 1l4s s GLU 110 N 2.40 0.55 0.49 4.82 2.12 -1.26 -5.17 118.70 122.64 1l4s s GLU 110 Ca 0.09 1.15 0.02 0.00 0.36 0.00 0.00 54.97 56.59 1l4s s GLU 110 Cb -0.15 0.67 -0.01 0.00 0.26 0.00 0.00 34.13 34.90 1l4s s GLU 110 CO -0.25 -0.41 0.04 -1.83 -0.54 0.00 0.00 175.26 172.27 1l4s s GLU 111 N 2.86 2.13 0.00 4.30 -1.05 -1.26 -5.35 118.70 120.33 1l4s s GLU 111 Ca 0.08 -2.35 0.00 0.00 -0.15 0.00 0.00 54.97 52.55 1l4s s GLU 111 Cb -0.13 -1.23 0.00 0.00 -0.44 0.00 0.00 34.13 32.32 1l4s s GLU 111 CO -0.20 -0.42 0.00 0.39 0.95 0.00 0.00 175.26 175.99