#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 1.07 -0.08 1.09 0.00 -1.26 -4.73 119.30 115.38 1l4s s MET 2 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 55.69 54.37 1l4s s MET 2 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.14 1l4s s MET 2 CO 0.00 -0.35 -0.18 1.21 0.00 0.00 0.00 175.02 175.70 1l4s s ASN 3 N -3.03 2.35 -0.06 -1.18 3.84 -0.82 -5.04 114.94 111.00 1l4s s ASN 3 Ca 0.23 -0.41 0.01 0.00 0.21 0.00 0.00 52.86 52.90 1l4s s ASN 3 Cb 0.06 -1.04 0.02 0.00 -0.55 0.00 0.00 41.25 39.74 1l4s s ASN 3 CO 0.03 0.10 -0.06 -0.63 -2.79 0.00 0.00 177.10 173.75 1l4s s ILE 4 N 0.47 0.70 0.15 -5.21 1.01 -1.26 0.11 121.20 117.17 1l4s s ILE 4 Ca -0.15 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1l4s s ILE 4 Cb -0.16 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 1l4s s ILE 4 CO 0.06 0.28 -0.05 0.42 0.00 0.00 0.00 174.94 175.65 1l4s s THR 5 N 1.14 0.87 -0.28 2.92 -4.23 0.11 -4.94 115.64 111.23 1l4s s THR 5 Ca -0.07 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.22 1l4s s THR 5 Cb -0.14 -1.96 0.10 0.00 1.34 0.00 0.00 72.50 71.84 1l4s s THR 5 CO -0.01 -0.63 0.86 -0.94 -0.54 0.00 0.00 174.62 173.36 1l4s s SER 6 N -3.16 -0.65 -0.62 3.99 1.04 -1.26 -0.27 113.70 112.78 1l4s s SER 6 Ca 0.19 1.17 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 1l4s s SER 6 Cb 0.05 1.21 0.47 0.00 0.10 0.00 0.00 66.02 67.85 1l4s s SER 6 CO 0.01 -0.20 1.95 0.29 0.98 0.00 0.00 173.24 176.28 1l4s n LYS 7 N 2.94 2.74 0.00 4.02 4.01 -1.23 -4.37 118.16 126.28 1l4s n LYS 7 Ca -0.15 -3.35 0.00 0.00 -0.51 0.00 0.00 58.31 54.30 1l4s n LYS 7 Cb 0.56 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 1l4s n LYS 7 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1l4s n GLN 8 N -0.92 0.00 -4.05 1.97 0.00 -1.26 -5.03 117.38 108.10 1l4s n GLN 8 Ca 0.61 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 57.40 1l4s n GLN 8 Cb 0.76 -0.11 -0.06 0.00 0.00 0.00 0.00 30.24 30.83 1l4s n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1l4s n MET 9 N -2.28 0.54 -3.01 3.69 0.00 -1.26 -5.17 117.12 109.63 1l4s n MET 9 Ca 0.00 -2.98 -0.23 0.00 0.00 0.00 0.00 57.70 54.49 1l4s n MET 9 Cb 0.00 1.88 0.01 0.00 0.00 0.00 0.00 33.22 35.10 1l4s n MET 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1l4s s GLU 10 N -3.30 3.11 -0.24 3.17 2.12 -1.26 -4.62 118.70 117.67 1l4s s GLU 10 Ca 0.23 -0.46 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 1l4s s GLU 10 Cb 0.01 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 1l4s s GLU 10 CO 0.17 -0.24 0.60 0.42 -0.54 0.00 0.00 175.26 175.66 1l4s s ILE 11 N -2.54 5.02 0.03 -3.70 -1.09 -1.26 -5.04 121.20 112.62 1l4s s ILE 11 Ca 0.48 1.07 -0.00 0.00 -2.23 0.00 0.00 60.65 59.97 1l4s s ILE 11 Cb -0.10 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1l4s s ILE 11 CO 0.38 0.07 0.16 0.42 -1.23 0.00 0.00 174.94 174.73 1l4s s THR 12 N 2.27 5.12 0.63 2.92 -4.23 -1.26 -4.98 115.64 116.11 1l4s s THR 12 Ca 0.25 -0.41 0.37 0.00 -1.18 0.00 0.00 61.69 60.73 1l4s s THR 12 Cb -0.16 -3.44 0.37 0.00 1.34 0.00 0.00 72.50 70.61 1l4s s THR 12 CO 0.09 0.22 2.13 -0.65 -0.54 0.00 0.00 174.62 175.87 1l4s h PRO 13 N 3.49 0.00 0.10 3.99 0.11 -1.98 0.20 132.00 137.91 1l4s h PRO 13 Ca -0.47 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 1l4s h PRO 13 Cb 1.17 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.31 1l4s h PRO 13 CO 0.70 0.00 -1.15 0.00 -0.21 0.00 0.00 178.00 177.34 1l4s h ALA 14 N 1.68 0.00 -0.02 -0.75 0.00 -1.97 0.37 119.26 118.56 1l4s h ALA 14 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 54.91 54.02 1l4s h ALA 14 Cb 0.32 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1l4s h ALA 14 CO 0.00 0.64 -0.67 0.82 0.00 0.00 0.00 179.25 180.04 1l4s h ILE 15 N 0.22 1.45 -0.07 0.00 2.04 -1.44 0.17 117.51 119.87 1l4s h ILE 15 Ca -0.17 -2.20 -0.08 0.00 1.00 0.00 0.00 64.86 63.41 1l4s h ILE 15 Cb 1.83 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.09 1l4s h ILE 15 CO 0.22 0.64 -0.25 0.03 0.00 0.00 0.00 178.15 178.79 1l4s h ARG 16 N 0.07 0.30 -0.27 2.37 3.08 -1.08 -2.55 114.38 116.30 1l4s h ARG 16 Ca -0.01 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1l4s h ARG 16 Cb 1.19 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1l4s h ARG 16 CO 0.09 0.85 -0.23 0.37 -1.07 0.00 0.00 179.97 179.98 1l4s h GLN 17 N -0.19 0.51 0.38 0.04 4.15 -0.86 0.41 115.11 119.54 1l4s h GLN 17 Ca -0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.21 1l4s h GLN 17 Cb 0.88 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1l4s h GLN 17 CO 0.05 0.70 -0.20 1.25 -1.93 0.00 0.00 178.83 178.71 1l4s h HIS 18 N 0.45 -0.51 -0.36 3.99 2.76 -0.64 0.44 115.15 121.28 1l4s h HIS 18 Ca 0.07 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1l4s h HIS 18 Cb 0.65 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 1l4s h HIS 18 CO 0.02 -0.31 0.21 0.28 -1.30 0.00 0.00 177.93 176.83 1l4s h VAL 19 N -0.53 1.14 -0.36 5.26 2.07 -1.48 -2.54 116.25 119.81 1l4s h VAL 19 Ca -0.05 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1l4s h VAL 19 Cb 0.41 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1l4s h VAL 19 CO 0.08 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.87 1l4s h ALA 20 N 1.07 0.38 -0.04 1.67 0.00 -0.18 -0.20 119.26 121.95 1l4s h ALA 20 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1l4s h ALA 20 Cb 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1l4s h ALA 20 CO -0.02 -0.34 0.03 0.38 0.00 0.00 0.00 179.25 179.31 1l4s h ASP 21 N 0.19 0.00 0.80 0.00 3.04 0.08 0.18 116.42 120.71 1l4s h ASP 21 Ca 0.17 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.82 1l4s h ASP 21 Cb 0.20 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.47 1l4s h ASP 21 CO -0.23 0.00 -0.68 0.03 -2.04 0.00 0.00 179.24 176.32 1l4s h ARG 22 N 0.00 0.00 -0.01 4.15 2.47 -0.65 -3.03 114.38 117.30 1l4s h ARG 22 Ca 0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1l4s h ARG 22 Cb 0.09 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1l4s h ARG 22 CO -0.00 0.68 -0.01 -0.07 0.56 0.00 0.00 179.97 181.13 1l4s h LEU 23 N 0.00 0.04 -2.42 3.04 3.38 0.11 -2.15 115.31 117.30 1l4s h LEU 23 Ca -0.01 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1l4s h LEU 23 Cb 1.26 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1l4s h LEU 23 CO 0.09 0.50 0.07 0.00 0.09 0.00 0.00 178.44 179.19 1l4s h ALA 24 N 0.54 1.58 0.12 1.53 0.00 -1.47 -0.88 119.26 120.68 1l4s h ALA 24 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1l4s h ALA 24 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1l4s h ALA 24 CO 0.00 -0.10 -1.22 -0.22 0.00 0.00 0.00 179.25 177.72 1l4s h LYS 25 N 0.00 0.45 -2.54 0.00 1.63 -1.39 -3.34 116.57 111.39 1l4s h LYS 25 Ca 0.03 -0.65 -0.51 0.00 -0.85 0.00 0.00 60.65 58.67 1l4s h LYS 25 Cb 0.16 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1l4s h LYS 25 CO -0.00 1.28 2.01 1.28 -3.45 0.00 0.00 179.45 180.57 1l4s n LEU 26 N -3.69 7.35 -0.29 5.20 4.77 -0.33 -4.27 117.00 125.74 1l4s n LEU 26 Ca -0.11 -4.03 0.09 0.00 -0.03 0.00 0.00 56.01 51.93 1l4s n LEU 26 Cb 0.99 -1.46 0.17 0.00 -2.33 0.00 0.00 43.42 40.78 1l4s n LEU 26 CO 0.56 1.93 0.58 1.21 -1.33 0.00 0.00 177.39 180.34 1l4s n GLU 27 N 2.75 1.62 0.00 3.23 2.13 -1.25 -4.57 120.64 124.55 1l4s n GLU 27 Ca 0.63 -2.70 0.11 0.00 0.66 0.00 0.00 57.16 55.86 1l4s n GLU 27 Cb 0.48 -1.58 0.06 0.00 0.27 0.00 0.00 31.44 30.67 1l4s n GLU 27 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1l4s n LYS 28 N -1.24 0.82 -1.47 5.31 2.85 -1.26 -4.96 118.16 118.22 1l4s n LYS 28 Ca 0.18 -0.64 -0.15 0.00 -1.05 0.00 0.00 58.31 56.64 1l4s n LYS 28 Cb 0.70 -1.49 0.09 0.00 -0.65 0.00 0.00 35.03 33.69 1l4s n LYS 28 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1l4s n TRP 29 N -0.53 -3.53 -3.48 5.58 7.02 -1.26 -5.06 117.44 116.18 1l4s n TRP 29 Ca 0.08 -0.88 -0.27 0.00 -1.02 0.00 0.00 57.50 55.42 1l4s n TRP 29 Cb 0.41 -0.51 -0.09 0.00 -2.42 0.00 0.00 31.31 28.70 1l4s n TRP 29 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1l4s n GLN 30 N -2.36 1.51 -3.05 -0.99 1.13 -1.26 -4.96 117.38 107.41 1l4s n GLN 30 Ca 0.10 -4.02 -0.00 0.00 -1.94 0.00 0.00 57.00 51.14 1l4s n GLN 30 Cb 0.35 -1.91 -0.00 0.00 0.11 0.00 0.00 30.24 28.78 1l4s n GLN 30 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1l4s s THR 31 N -1.47 -0.88 -0.74 5.09 -1.32 -1.26 -4.99 115.64 110.07 1l4s s THR 31 Ca 0.34 -0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 60.30 1l4s s THR 31 Cb 0.09 0.00 -0.16 0.00 -1.51 0.00 0.00 72.50 70.92 1l4s s THR 31 CO -0.11 0.00 2.53 1.41 -2.21 0.00 0.00 174.62 176.25 1l4s n HIS 32 N 3.96 0.99 -1.96 9.09 8.25 -1.26 -4.84 115.22 129.45 1l4s n HIS 32 Ca 0.12 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 1l4s n HIS 32 Cb 0.58 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 1l4s n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1l4s s LEU 33 N 9.93 4.37 -0.16 2.41 2.01 -1.26 -4.10 118.68 131.88 1l4s s LEU 33 Ca 1.19 2.53 -0.00 0.00 0.01 0.00 0.00 54.13 57.87 1l4s s LEU 33 Cb -0.84 -3.58 0.04 0.00 0.01 0.00 0.00 46.19 41.82 1l4s s LEU 33 CO 0.41 -0.83 -0.08 -0.63 1.01 0.00 0.00 176.35 176.23 1l4s s ILE 34 N 1.74 1.27 -0.40 -0.59 1.01 0.14 -4.79 121.20 119.58 1l4s s ILE 34 Ca 0.71 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 1l4s s ILE 34 Cb -0.41 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1l4s s ILE 34 CO 0.31 0.23 0.34 0.59 0.00 0.00 0.00 174.94 176.41 1l4s n ASN 35 N 4.83 -2.30 -4.69 3.58 3.02 -1.26 -3.07 115.26 115.37 1l4s n ASN 35 Ca -0.13 -0.20 -0.44 0.00 -0.03 0.00 0.00 54.58 53.78 1l4s n ASN 35 Cb 0.48 -2.01 -0.04 0.00 -0.61 0.00 0.00 39.78 37.61 1l4s n ASN 35 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1l4s n PRO 36 N -2.02 2.52 -4.23 3.52 -0.04 -1.26 -4.68 135.00 128.81 1l4s n PRO 36 Ca -0.08 0.91 -0.19 0.00 -0.04 0.00 0.00 63.50 64.10 1l4s n PRO 36 Cb 0.55 -2.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.12 1l4s n PRO 36 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1l4s s HIS 37 N 1.33 0.76 -0.06 0.54 2.46 -1.01 -1.94 115.29 117.37 1l4s s HIS 37 Ca 0.78 -0.20 0.05 0.00 0.47 0.00 0.00 55.06 56.15 1l4s s HIS 37 Cb -0.58 -0.62 -0.00 0.00 -0.13 0.00 0.00 32.58 31.25 1l4s s HIS 37 CO 0.36 -0.14 -0.20 0.42 -2.47 0.00 0.00 174.74 172.70 1l4s s ILE 38 N 0.58 1.72 0.01 0.89 -1.09 0.29 -1.92 121.20 121.69 1l4s s ILE 38 Ca -0.08 -0.86 0.08 0.00 -2.23 0.00 0.00 60.65 57.56 1l4s s ILE 38 Cb -0.11 -1.48 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 1l4s s ILE 38 CO 0.00 0.49 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.32 1l4s s ILE 39 N 0.10 2.03 -0.11 2.92 1.01 0.77 0.09 121.20 128.01 1l4s s ILE 39 Ca -0.08 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.38 1l4s s ILE 39 Cb -0.14 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1l4s s ILE 39 CO 0.04 0.45 -0.21 -0.76 0.00 0.00 0.00 174.94 174.47 1l4s s LEU 40 N -0.91 2.01 0.00 2.97 1.43 0.63 -1.18 118.68 123.62 1l4s s LEU 40 Ca 0.10 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1l4s s LEU 40 Cb -0.10 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 1l4s s LEU 40 CO 0.01 0.10 0.01 -1.20 0.23 0.00 0.00 176.35 175.49 1l4s n SER 41 N 3.85 1.68 -3.62 2.29 7.64 0.19 -3.46 113.62 122.20 1l4s n SER 41 Ca -0.20 -1.31 -0.07 0.00 1.01 0.00 0.00 58.87 58.30 1l4s n SER 41 Cb 0.52 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.24 0.36 0.24 1.43 2.36 -1.26 -2.34 119.74 118.28 1l4s s LYS 42 Ca 0.01 0.19 0.03 0.00 -2.55 0.00 0.00 55.97 53.65 1l4s s LYS 42 Cb 0.00 0.17 -0.05 0.00 -1.05 0.00 0.00 37.83 36.90 1l4s s LYS 42 CO 0.01 -0.09 0.03 -1.21 1.55 0.00 0.00 175.35 175.63 1l4s s GLU 43 N -0.63 1.36 0.66 4.03 0.41 0.13 -4.93 118.70 119.74 1l4s s GLU 43 Ca 0.03 -1.71 0.22 0.00 -0.41 0.00 0.00 54.97 53.10 1l4s s GLU 43 Cb -0.02 -0.53 1.16 0.00 -1.78 0.00 0.00 34.13 32.96 1l4s s GLU 43 CO -0.05 -0.15 1.65 -1.35 -0.49 0.00 0.00 175.26 174.87 1l4s h PRO 44 N 2.44 0.00 0.00 0.39 0.11 -2.04 -2.84 132.00 130.06 1l4s h PRO 44 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1l4s h PRO 44 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1l4s h PRO 44 CO 0.64 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.37 1l4s n GLN 45 N -2.82 0.00 0.00 1.05 7.27 -1.26 -5.09 117.38 116.52 1l4s n GLN 45 Ca -0.01 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1l4s n GLN 45 Cb 0.58 -0.52 0.00 0.00 2.41 0.00 0.00 30.24 32.72 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1l4s n GLY 46 N 2.30 5.01 3.71 1.69 0.00 -1.07 -4.95 105.19 111.88 1l4s n GLY 46 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.60 3.02 0.02 1.61 0.40 -0.90 0.22 117.98 121.74 1l4s s PHE 47 Ca 0.00 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1l4s s PHE 47 Cb 0.00 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 1l4s s PHE 47 CO 0.00 0.49 -0.20 0.08 0.70 0.00 0.00 175.22 176.29 1l4s s VAL 48 N -1.42 1.63 -0.07 -0.44 1.01 -0.99 -2.65 120.40 117.47 1l4s s VAL 48 Ca 0.27 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1l4s s VAL 48 Cb -0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1l4s s VAL 48 CO 0.19 0.32 -0.05 0.00 0.00 0.00 0.00 175.10 175.57 1l4s s ALA 49 N -0.65 0.88 0.06 5.51 0.00 0.14 0.56 121.76 128.26 1l4s s ALA 49 Ca 0.08 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 51.91 1l4s s ALA 49 Cb -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1l4s s ALA 49 CO 0.01 -0.20 -0.23 -0.51 0.00 0.00 0.00 175.76 174.83 1l4s s ASP 50 N 1.33 3.46 -0.05 0.00 1.11 -0.33 -0.18 116.67 122.01 1l4s s ASP 50 Ca -0.04 -0.55 -0.06 0.00 0.18 0.00 0.00 52.55 52.08 1l4s s ASP 50 Cb -0.14 -0.41 0.01 0.00 1.07 0.00 0.00 42.92 43.46 1l4s s ASP 50 CO -0.03 0.24 0.16 0.00 1.18 0.00 0.00 175.17 176.73 1l4s s ALA 51 N -0.90 -0.40 -0.02 5.23 0.00 -0.51 -0.16 121.76 125.01 1l4s s ALA 51 Ca 0.13 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1l4s s ALA 51 Cb -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1l4s s ALA 51 CO 0.04 -0.11 -0.04 0.99 0.00 0.00 0.00 175.76 176.65 1l4s s THR 52 N -0.24 0.38 -0.03 0.00 2.01 -0.81 -2.19 115.64 114.75 1l4s s THR 52 Ca -0.03 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1l4s s THR 52 Cb -0.03 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1l4s s THR 52 CO 0.01 0.14 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.37 1l4s s ILE 53 N 0.35 0.75 -0.22 1.82 -1.09 -0.88 -2.42 121.20 119.50 1l4s s ILE 53 Ca -0.04 -0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 58.02 1l4s s ILE 53 Cb -0.07 -0.69 -0.02 0.00 -1.58 0.00 0.00 42.46 40.10 1l4s s ILE 53 CO -0.00 0.25 0.01 0.20 -1.23 0.00 0.00 174.94 174.16 1l4s s ASN 54 N 0.43 4.74 0.33 3.58 0.01 -1.17 -1.64 114.94 121.21 1l4s s ASN 54 Ca -0.07 -0.27 0.09 0.00 -0.71 0.00 0.00 52.86 51.90 1l4s s ASN 54 Cb -0.11 -1.82 -0.06 0.00 0.41 0.00 0.00 41.25 39.67 1l4s s ASN 54 CO 0.01 0.01 -0.08 0.42 -1.51 0.00 0.00 177.10 175.94 1l4s s THR 55 N 1.33 2.06 -0.77 1.60 -4.23 0.15 0.25 115.64 116.04 1l4s s THR 55 Ca 0.04 -2.18 0.14 0.00 -1.18 0.00 0.00 61.69 58.51 1l4s s THR 55 Cb -0.15 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.23 1l4s s THR 55 CO 0.01 -0.23 1.43 -2.65 -0.54 0.00 0.00 174.62 172.64 1l4s n PRO 56 N -0.73 0.06 0.00 3.99 -0.02 -1.26 -1.96 135.00 135.08 1l4s n PRO 56 Ca -0.05 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1l4s n PRO 56 Cb 0.63 -1.65 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1l4s n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1l4s n ASN 57 N -1.77 1.40 0.00 2.55 3.02 -1.26 -5.10 115.26 114.10 1l4s n ASN 57 Ca 0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1l4s n ASN 57 Cb 0.12 0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.81 -0.33 3.05 7.41 0.00 -0.83 -5.13 105.19 110.18 1l4s n GLY 58 Ca 0.05 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.73 0.84 0.18 1.61 1.01 -1.26 0.34 120.40 120.39 1l4s s VAL 59 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1l4s s VAL 59 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1l4s s VAL 59 CO 0.00 0.20 -0.18 -0.76 0.00 0.00 0.00 175.10 174.36 1l4s s LEU 60 N -0.34 2.66 0.02 3.92 1.43 -0.65 -5.00 118.68 120.72 1l4s s LEU 60 Ca 0.04 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1l4s s LEU 60 Cb -0.04 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1l4s s LEU 60 CO -0.00 0.12 -0.01 0.54 0.23 0.00 0.00 176.35 177.22 1l4s s VAL 61 N -1.62 0.10 0.04 -1.59 0.11 -1.26 -2.08 120.40 114.10 1l4s s VAL 61 Ca 0.22 -0.86 -0.19 0.00 -2.93 0.00 0.00 61.98 58.22 1l4s s VAL 61 Cb -0.09 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1l4s s VAL 61 CO 0.12 -0.47 0.44 0.00 -3.33 0.00 0.00 175.10 171.86 1l4s s ALA 62 N -1.40 -1.09 0.06 1.54 0.00 -0.93 -4.80 121.76 115.14 1l4s s ALA 62 Ca -0.15 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 1l4s s ALA 62 Cb -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1l4s s ALA 62 CO -0.01 -0.47 0.13 0.45 0.00 0.00 0.00 175.76 175.86 1l4s s SER 63 N -1.99 0.18 -0.27 0.00 0.15 -1.26 -1.42 113.70 109.09 1l4s s SER 63 Ca -0.05 -0.61 -0.00 0.00 0.70 0.00 0.00 55.95 55.98 1l4s s SER 63 Cb -0.01 0.27 0.15 0.00 -1.71 0.00 0.00 66.02 64.72 1l4s s SER 63 CO -0.02 -0.60 0.40 -0.83 1.20 0.00 0.00 173.24 173.38 1l4s s GLY 64 N -2.48 -0.50 -0.60 9.45 0.00 0.75 -4.12 107.32 109.81 1l4s s GLY 64 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1l4s s GLY 64 CO -0.07 2.86 1.70 0.28 0.00 0.00 0.00 173.10 177.87 1l4s n LYS 65 N 5.36 3.03 -2.00 2.90 5.02 -1.26 0.25 118.16 131.45 1l4s n LYS 65 Ca -0.02 -3.75 -0.32 0.00 -2.02 0.00 0.00 58.31 52.20 1l4s n LYS 65 Cb 0.50 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 1l4s n LYS 65 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1l4s s HIS 66 N -3.80 3.18 0.54 2.13 2.46 -1.08 -4.71 115.29 114.00 1l4s s HIS 66 Ca 0.55 1.46 0.24 0.00 0.47 0.00 0.00 55.06 57.79 1l4s s HIS 66 Cb 0.45 -2.91 1.56 0.00 -0.13 0.00 0.00 32.58 31.56 1l4s s HIS 66 CO -0.15 -0.94 2.18 1.49 -2.47 0.00 0.00 174.74 174.85 1l4s h GLU 67 N 0.22 0.00 -5.19 2.88 4.81 -1.93 -2.39 114.58 112.98 1l4s h GLU 67 Ca -0.46 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.15 1l4s h GLU 67 Cb 1.21 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 1l4s h GLU 67 CO 0.59 0.03 -0.37 0.34 -0.73 0.00 0.00 179.01 178.86 1l4s s ASP 68 N -6.48 6.23 0.20 1.04 -1.08 -1.26 -3.86 116.67 111.46 1l4s s ASP 68 Ca -0.05 0.25 -0.15 0.00 -0.52 0.00 0.00 52.55 52.09 1l4s s ASP 68 Cb 0.15 -2.16 0.20 0.00 -1.46 0.00 0.00 42.92 39.65 1l4s s ASP 68 CO 0.60 -0.03 1.63 -0.03 0.52 0.00 0.00 175.17 177.86 1l4s h MET 69 N 7.64 -0.01 -0.41 4.34 1.85 -1.89 -0.00 114.93 126.44 1l4s h MET 69 Ca -0.36 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.64 1l4s h MET 69 Cb 1.17 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.18 1l4s h MET 69 CO 0.66 -0.01 -0.10 1.88 -0.40 0.00 0.00 176.91 178.94 1l4s h TYR 70 N -0.02 0.80 -0.57 1.39 -1.99 -1.95 -2.54 116.97 112.10 1l4s h TYR 70 Ca 0.28 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.82 1l4s h TYR 70 Cb 0.44 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1l4s h TYR 70 CO -0.49 0.80 0.16 1.15 -0.00 0.00 0.00 178.16 179.78 1l4s h THR 71 N 0.67 1.24 -0.23 -2.88 2.02 -1.53 -0.54 112.91 111.66 1l4s h THR 71 Ca 0.12 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1l4s h THR 71 Cb 0.56 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1l4s h THR 71 CO 0.03 0.32 0.13 0.00 0.37 0.00 0.00 175.52 176.38 1l4s h ALA 72 N 1.03 0.30 -0.28 6.16 0.00 -0.90 0.38 119.26 125.94 1l4s h ALA 72 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1l4s h ALA 72 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1l4s h ALA 72 CO -0.00 -0.19 0.18 0.82 0.00 0.00 0.00 179.25 180.06 1l4s h ILE 73 N 0.28 1.09 -0.69 0.00 2.04 -1.29 0.16 117.51 119.09 1l4s h ILE 73 Ca 0.08 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1l4s h ILE 73 Cb 0.04 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1l4s h ILE 73 CO -0.01 0.08 0.20 -1.13 0.00 0.00 0.00 178.15 177.29 1l4s h ASN 74 N 0.38 1.01 -0.33 1.72 -0.00 -0.87 -2.52 115.58 114.96 1l4s h ASN 74 Ca 0.10 -0.19 -0.04 0.00 -0.00 0.00 0.00 56.30 56.17 1l4s h ASN 74 Cb -0.02 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.02 1l4s h ASN 74 CO -0.02 0.94 0.04 -0.33 -0.00 0.00 0.00 177.43 178.06 1l4s h GLU 75 N 1.03 0.56 0.17 6.67 4.39 0.19 -1.11 114.58 126.49 1l4s h GLU 75 Ca 0.22 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.78 1l4s h GLU 75 Cb 0.31 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1l4s h GLU 75 CO -0.01 0.66 -0.43 1.25 -1.16 0.00 0.00 179.01 179.32 1l4s h LEU 76 N 0.38 -1.26 -1.80 1.33 6.46 -0.47 0.64 115.31 120.59 1l4s h LEU 76 Ca 0.10 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 1l4s h LEU 76 Cb 0.38 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1l4s h LEU 76 CO 0.01 -0.51 0.30 0.40 -0.62 0.00 0.00 178.44 178.02 1l4s h ILE 77 N -0.70 0.89 -0.10 4.05 2.04 -1.43 0.33 117.51 122.60 1l4s h ILE 77 Ca 0.01 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1l4s h ILE 77 Cb 0.70 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1l4s h ILE 77 CO -0.22 0.04 0.07 -1.13 0.00 0.00 0.00 178.15 176.91 1l4s h ASN 78 N 0.23 0.01 1.10 1.72 -0.73 0.43 0.15 115.58 118.48 1l4s h ASN 78 Ca 0.20 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.23 1l4s h ASN 78 Cb 0.50 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1l4s h ASN 78 CO -0.04 0.00 -0.96 0.11 -0.37 0.00 0.00 177.43 176.18 1l4s h LYS 79 N 0.01 0.00 -0.10 6.67 6.56 0.66 -2.51 116.57 127.86 1l4s h LYS 79 Ca 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1l4s h LYS 79 Cb 0.17 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1l4s h LYS 79 CO -0.00 0.44 0.05 -0.07 -2.06 0.00 0.00 179.45 177.81 1l4s h LEU 80 N 0.00 0.13 -0.54 2.94 3.38 -0.29 0.93 115.31 121.86 1l4s h LEU 80 Ca -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1l4s h LEU 80 Cb 1.50 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1l4s h LEU 80 CO 0.06 0.20 0.35 -0.08 0.09 0.00 0.00 178.44 179.06 1l4s h GLU 81 N 0.04 0.71 -0.13 1.13 4.81 -1.41 -0.95 114.58 118.78 1l4s h GLU 81 Ca 0.03 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1l4s h GLU 81 Cb 0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1l4s h GLU 81 CO -0.00 0.48 -0.00 0.00 -0.73 0.00 0.00 179.01 178.76 1l4s h ARG 82 N 0.72 0.17 -0.02 1.92 3.08 -1.03 -0.92 114.38 118.31 1l4s h ARG 82 Ca 0.20 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.96 1l4s h ARG 82 Cb -0.07 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 29.97 1l4s h ARG 82 CO -0.04 0.20 -1.01 1.96 -1.07 0.00 0.00 179.97 180.00 1l4s h GLN 83 N 0.18 0.71 -0.02 0.04 4.20 -0.07 -3.18 115.11 116.96 1l4s h GLN 83 Ca 0.04 -0.73 -0.07 0.00 0.06 0.00 0.00 58.65 57.95 1l4s h GLN 83 Cb 0.13 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1l4s h GLN 83 CO 0.00 1.31 -0.29 -0.07 -0.67 0.00 0.00 178.83 179.11 1l4s h LEU 84 N 0.41 0.04 -2.23 1.46 3.38 -0.60 -2.19 115.31 115.58 1l4s h LEU 84 Ca -0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1l4s h LEU 84 Cb 1.66 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1l4s h LEU 84 CO 0.20 0.33 -0.05 0.78 0.09 0.00 0.00 178.44 179.79 1l4s h ASN 85 N 0.03 0.00 0.15 -0.43 2.35 -1.17 -1.89 115.58 114.63 1l4s h ASN 85 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1l4s h ASN 85 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1l4s h ASN 85 CO 0.04 0.05 -0.58 0.11 -1.65 0.00 0.00 177.43 175.40 1l4s h LYS 86 N 0.00 0.44 0.00 0.81 1.79 -1.46 -2.92 116.57 115.23 1l4s h LYS 86 Ca -0.00 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.15 1l4s h LYS 86 Cb 0.22 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1l4s h LYS 86 CO 0.01 0.90 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.04 1l4s h LEU 87 N 0.33 0.00 0.00 2.94 3.38 -1.44 -2.94 115.31 117.58 1l4s h LEU 87 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1l4s h LEU 87 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1l4s h LEU 87 CO 0.10 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1l4s n GLN 88 N -3.28 0.89 -1.86 1.13 6.02 -1.10 -4.86 117.38 114.32 1l4s n GLN 88 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1l4s n GLN 88 Cb 0.42 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.35 1l4s n GLN 88 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1l4s s HIS 89 N -2.00 3.01 -0.39 1.08 -3.43 -1.11 -5.06 115.29 107.39 1l4s s HIS 89 Ca 0.35 0.84 -0.01 0.00 -0.80 0.00 0.00 55.06 55.45 1l4s s HIS 89 Cb 0.16 -3.38 0.24 0.00 -1.43 0.00 0.00 32.58 28.17 1l4s s HIS 89 CO 0.27 -1.67 1.05 1.63 -2.00 0.00 0.00 174.74 174.03 1l4s n LYS 90 N -3.27 0.30 0.00 -0.38 4.76 -1.26 -5.11 118.16 113.20 1l4s n LYS 90 Ca 0.08 -1.11 0.00 0.00 -2.87 0.00 0.00 58.31 54.40 1l4s n LYS 90 Cb 0.60 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1l4s n GLY 91 N 2.11 -0.50 3.58 0.72 0.00 -1.26 -5.07 105.19 104.77 1l4s n GLY 91 Ca 0.09 0.70 -0.33 0.00 0.00 0.00 0.00 46.02 46.47 1l4s n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l4s s GLU 92 N 0.00 3.01 -0.25 1.61 1.03 -1.26 -4.43 118.70 118.42 1l4s s GLU 92 Ca 0.00 -1.39 -0.06 0.00 0.03 0.00 0.00 54.97 53.55 1l4s s GLU 92 Cb 0.00 -5.33 0.02 0.00 -0.80 0.00 0.00 34.13 28.02 1l4s s GLU 92 CO 0.00 -3.35 0.12 0.00 -1.33 0.00 0.00 175.26 170.70 1l4s n ALA 93 N 12.28 -3.56 -1.48 -0.84 0.00 -1.26 -4.86 120.51 120.79 1l4s n ALA 93 Ca 0.46 1.40 0.18 0.00 0.00 0.00 0.00 53.44 55.48 1l4s n ALA 93 Cb 0.47 -2.76 -0.08 0.00 0.00 0.00 0.00 19.45 17.08 1l4s n ALA 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1l4s n ARG 94 N 1.20 -3.30 0.00 0.00 3.00 -1.26 -5.00 116.66 111.31 1l4s n ARG 94 Ca -0.20 2.57 0.00 0.00 -0.00 0.00 0.00 57.85 60.22 1l4s n ARG 94 Cb 0.32 -3.90 0.00 0.00 0.00 0.00 0.00 32.46 28.88 1l4s n ARG 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1l4s n ARG 95 N -4.37 0.00 -3.75 -0.14 1.74 -1.26 -4.94 116.66 103.94 1l4s n ARG 95 Ca -0.07 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 1l4s n ARG 95 Cb 0.70 -0.05 -0.17 0.00 -1.02 0.00 0.00 32.46 31.92 1l4s n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1l4s s ALA 96 N -1.89 0.15 0.20 7.54 0.00 -1.26 -5.11 121.76 121.39 1l4s s ALA 96 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1l4s s ALA 96 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1l4s s ALA 96 CO 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 175.76 175.53 1l4s n ALA 97 N 4.55 -2.28 -0.04 0.00 0.00 -1.26 -4.67 120.51 116.82 1l4s n ALA 97 Ca -0.20 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1l4s n ALA 97 Cb 0.50 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 1l4s n ALA 97 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1l4s h THR 98 N -0.82 0.00 -3.99 0.00 1.35 -2.04 -3.48 112.91 103.93 1l4s h THR 98 Ca 0.02 -0.68 -0.48 0.00 -0.55 0.00 0.00 66.41 64.72 1l4s h THR 98 Cb 0.81 0.00 -0.23 0.00 -1.73 0.00 0.00 68.15 67.00 1l4s h THR 98 CO 0.01 0.00 -0.80 -0.44 -0.25 0.00 0.00 175.52 174.03 1l4s s SER 99 N -4.79 2.01 -1.23 5.36 0.01 -1.26 -5.01 113.70 108.79 1l4s s SER 99 Ca -0.02 -0.59 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 1l4s s SER 99 Cb 0.00 -0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.19 1l4s s SER 99 CO 0.03 0.01 1.66 -0.69 0.41 0.00 0.00 173.24 174.67 1l4s s VAL 100 N -1.09 4.09 -0.14 3.43 1.01 -1.26 -4.66 120.40 121.78 1l4s s VAL 100 Ca 0.02 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.43 1l4s s VAL 100 Cb -0.09 -5.16 -0.23 0.00 0.00 0.00 0.00 36.38 30.89 1l4s s VAL 100 CO 0.03 -2.00 0.29 0.29 0.00 0.00 0.00 175.10 173.70 1l4s n LYS 101 N 8.47 0.68 -2.59 2.72 4.76 -1.26 -4.94 118.16 126.01 1l4s n LYS 101 Ca 0.45 0.19 -0.34 0.00 -2.87 0.00 0.00 58.31 55.74 1l4s n LYS 101 Cb 0.47 -1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1l4s n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1l4s s ASP 102 N -6.30 6.50 0.18 4.39 1.01 -1.26 -5.07 116.67 116.13 1l4s s ASP 102 Ca -0.16 1.91 0.09 0.00 0.71 0.00 0.00 52.55 55.10 1l4s s ASP 102 Cb 0.07 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1l4s s ASP 102 CO 0.77 -0.67 -0.13 0.00 0.21 0.00 0.00 175.17 175.35 1l4s s ALA 103 N -1.95 2.84 0.00 5.23 0.00 -1.26 -4.74 121.76 121.88 1l4s s ALA 103 Ca 0.65 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1l4s s ALA 103 Cb -0.16 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1l4s s ALA 103 CO 0.20 0.46 0.00 -1.71 0.00 0.00 0.00 175.76 174.71 1l4s n ASN 104 N 0.10 0.00 -3.66 0.00 5.15 -1.26 -4.50 115.26 111.09 1l4s n ASN 104 Ca -0.11 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.63 1l4s n ASN 104 Cb 0.56 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.63 1l4s n ASN 104 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1l4s s PHE 105 N 0.00 0.27 0.23 1.20 0.40 -1.26 -5.02 117.98 113.80 1l4s s PHE 105 Ca 0.00 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1l4s s PHE 105 Cb 0.00 -0.66 0.24 0.00 0.51 0.00 0.00 43.02 43.11 1l4s s PHE 105 CO 0.00 -0.39 1.61 -0.39 0.70 0.00 0.00 175.22 176.75 1l4s h VAL 106 N 6.43 1.29 -3.25 -0.44 -1.51 -1.85 -3.47 116.25 113.45 1l4s h VAL 106 Ca -0.14 -1.52 0.01 0.00 -1.23 0.00 0.00 66.70 63.81 1l4s h VAL 106 Cb 1.13 1.51 -0.08 0.00 -2.13 0.00 0.00 31.29 31.72 1l4s h VAL 106 CO 0.24 0.48 0.08 -0.70 -1.23 0.00 0.00 177.57 176.45 1l4s s GLU 107 N -4.29 1.57 0.00 5.19 2.12 -1.26 -4.98 118.70 117.05 1l4s s GLU 107 Ca -0.07 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.28 1l4s s GLU 107 Cb 0.13 0.55 0.00 0.00 0.26 0.00 0.00 34.13 35.06 1l4s s GLU 107 CO 0.82 -0.69 0.00 0.39 -0.54 0.00 0.00 175.26 175.24 1l4s n GLU 108 N -0.40 0.00 -2.13 4.30 -0.58 -1.26 -5.00 120.64 115.57 1l4s n GLU 108 Ca -0.06 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.28 1l4s n GLU 108 Cb 0.61 -0.22 -0.01 0.00 -0.57 0.00 0.00 31.44 31.25 1l4s n GLU 108 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1l4s s VAL 109 N -0.54 2.77 -0.04 2.62 0.11 -1.26 -5.03 120.40 119.03 1l4s s VAL 109 Ca 0.00 0.70 0.07 0.00 -2.93 0.00 0.00 61.98 59.82 1l4s s VAL 109 Cb 0.00 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 1l4s s VAL 109 CO 0.00 0.11 -0.25 -1.61 -3.33 0.00 0.00 175.10 170.02 1l4s s GLU 110 N -2.15 2.27 -0.24 1.54 2.02 -1.26 -5.03 118.70 115.84 1l4s s GLU 110 Ca 0.55 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 54.54 1l4s s GLU 110 Cb -0.37 -2.06 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 1l4s s GLU 110 CO 0.47 0.48 -0.30 -1.91 0.02 0.00 0.00 175.26 174.02 1l4s n GLU 111 N 2.67 0.53 0.00 1.61 4.07 -1.26 -5.31 120.64 122.95 1l4s n GLU 111 Ca -0.17 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1l4s n GLU 111 Cb 0.51 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1l4s n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16