#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l4s n MET 2 N 0.00 -5.24 -4.88 -2.82 1.56 -1.26 -5.03 117.12 99.45 1l4s n MET 2 Ca 0.00 3.80 -0.27 0.00 -0.27 0.00 0.00 57.70 60.96 1l4s n MET 2 Cb 0.00 -4.80 -0.16 0.00 2.15 0.00 0.00 33.22 30.41 1l4s n MET 2 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1l4s s ASN 3 N -0.61 2.27 -0.05 6.12 2.47 -0.35 -5.03 114.94 119.75 1l4s s ASN 3 Ca -0.02 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.89 1l4s s ASN 3 Cb 0.00 -0.68 0.02 0.00 -1.45 0.00 0.00 41.25 39.14 1l4s s ASN 3 CO 0.04 0.15 -0.02 -0.51 -3.72 0.00 0.00 177.10 173.04 1l4s s ILE 4 N 0.08 0.44 0.19 -5.21 2.07 -1.26 0.37 121.20 117.88 1l4s s ILE 4 Ca -0.05 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.19 1l4s s ILE 4 Cb -0.12 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 1l4s s ILE 4 CO 0.03 0.23 0.02 0.42 -1.91 0.00 0.00 174.94 173.73 1l4s s THR 5 N 1.33 0.66 -0.28 4.00 -4.23 0.79 -4.95 115.64 112.95 1l4s s THR 5 Ca -0.05 -1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 58.31 1l4s s THR 5 Cb -0.13 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.59 1l4s s THR 5 CO -0.02 -0.39 0.74 -0.94 -0.54 0.00 0.00 174.62 173.46 1l4s s SER 6 N -3.20 -0.87 -0.08 3.99 1.04 -1.26 -0.64 113.70 112.68 1l4s s SER 6 Ca 0.26 1.40 0.19 0.00 0.48 0.00 0.00 55.95 58.28 1l4s s SER 6 Cb 0.06 1.36 0.69 0.00 0.10 0.00 0.00 66.02 68.23 1l4s s SER 6 CO 0.06 -0.22 1.59 0.29 0.98 0.00 0.00 173.24 175.93 1l4s n LYS 7 N 4.15 3.42 -0.66 4.02 5.02 -1.22 -4.08 118.16 128.80 1l4s n LYS 7 Ca -0.20 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1l4s n LYS 7 Cb 0.59 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1l4s n LYS 7 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1l4s n GLN 8 N 1.22 0.00 0.00 1.97 -0.06 -1.26 -5.05 117.38 114.20 1l4s n GLN 8 Ca 0.25 -1.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.18 1l4s n GLN 8 Cb 0.80 -0.37 0.00 0.00 -4.06 0.00 0.00 30.24 26.62 1l4s n GLN 8 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1l4s n MET 9 N 0.08 0.00 -3.59 3.69 2.81 -1.26 -4.94 117.12 113.90 1l4s n MET 9 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.67 1l4s n MET 9 Cb 0.75 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.25 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 3.45 -0.27 0.03 1.03 -1.26 -4.41 118.70 115.26 1l4s s GLU 10 Ca 0.00 -0.52 -0.20 0.00 0.03 0.00 0.00 54.97 54.28 1l4s s GLU 10 Cb 0.00 -2.75 -0.02 0.00 -0.80 0.00 0.00 34.13 30.56 1l4s s GLU 10 CO 0.00 0.24 0.61 0.42 -1.33 0.00 0.00 175.26 175.20 1l4s s ILE 11 N -2.19 4.99 0.19 1.83 -1.09 -1.26 -5.02 121.20 118.64 1l4s s ILE 11 Ca 0.38 1.02 0.04 0.00 -2.23 0.00 0.00 60.65 59.86 1l4s s ILE 11 Cb -0.09 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1l4s s ILE 11 CO 0.33 -0.01 0.30 0.42 -1.23 0.00 0.00 174.94 174.76 1l4s s THR 12 N 2.50 5.21 -0.18 2.92 -4.23 -1.26 -4.97 115.64 115.63 1l4s s THR 12 Ca 0.25 -0.87 0.23 0.00 -1.18 0.00 0.00 61.69 60.12 1l4s s THR 12 Cb -0.15 -3.75 0.23 0.00 1.34 0.00 0.00 72.50 70.17 1l4s s THR 12 CO 0.09 -0.20 1.70 -0.65 -0.54 0.00 0.00 174.62 175.02 1l4s h PRO 13 N 1.72 0.00 0.13 3.99 0.11 -1.98 -0.02 132.00 135.94 1l4s h PRO 13 Ca -0.50 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.26 1l4s h PRO 13 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1l4s h PRO 13 CO 0.65 0.00 -1.88 0.00 -0.21 0.00 0.00 178.00 176.56 1l4s h ALA 14 N 2.02 0.39 -0.03 -0.75 0.00 -1.97 -2.56 119.26 116.36 1l4s h ALA 14 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 54.91 53.43 1l4s h ALA 14 Cb 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1l4s h ALA 14 CO 0.00 1.26 -0.70 0.82 0.00 0.00 0.00 179.25 180.63 1l4s h ILE 15 N 0.07 1.45 -0.07 0.00 2.04 -1.74 0.19 117.51 119.45 1l4s h ILE 15 Ca -0.38 -2.27 -0.07 0.00 1.00 0.00 0.00 64.86 63.14 1l4s h ILE 15 Cb 2.05 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 40.34 1l4s h ILE 15 CO 0.11 0.66 -0.23 -0.09 0.00 0.00 0.00 178.15 178.60 1l4s h ARG 16 N 0.10 0.28 -0.20 2.37 2.43 -1.17 -2.57 114.38 115.61 1l4s h ARG 16 Ca -0.02 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 1l4s h ARG 16 Cb 1.24 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1l4s h ARG 16 CO 0.10 0.83 -0.26 0.37 -1.51 0.00 0.00 179.97 179.51 1l4s h GLN 17 N -0.21 0.38 0.34 0.20 4.15 -1.42 0.41 115.11 118.97 1l4s h GLN 17 Ca -0.01 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 1l4s h GLN 17 Cb 0.86 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1l4s h GLN 17 CO 0.05 0.62 -0.19 1.25 -1.93 0.00 0.00 178.83 178.63 1l4s h HIS 18 N 0.34 -0.49 -0.50 3.99 2.76 -0.58 0.51 115.15 121.18 1l4s h HIS 18 Ca 0.05 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1l4s h HIS 18 Cb 0.64 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 1l4s h HIS 18 CO 0.02 -0.29 0.28 0.28 -1.30 0.00 0.00 177.93 176.92 1l4s h VAL 19 N -0.49 1.17 -0.23 5.26 2.07 -1.47 -2.52 116.25 120.03 1l4s h VAL 19 Ca -0.05 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1l4s h VAL 19 Cb 0.38 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1l4s h VAL 19 CO 0.06 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.76 1l4s h ALA 20 N 1.12 0.14 -0.08 1.67 0.00 -0.15 -0.34 119.26 121.62 1l4s h ALA 20 Ca 0.18 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1l4s h ALA 20 Cb 0.03 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1l4s h ALA 20 CO -0.03 -0.48 0.07 0.38 0.00 0.00 0.00 179.25 179.19 1l4s h ASP 21 N -0.01 0.00 0.79 0.00 3.04 0.21 0.70 116.42 121.14 1l4s h ASP 21 Ca 0.11 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.77 1l4s h ASP 21 Cb 0.19 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.46 1l4s h ASP 21 CO -0.25 0.00 -0.62 0.03 -2.04 0.00 0.00 179.24 176.36 1l4s h ARG 22 N 0.00 0.00 -0.10 4.15 2.47 -0.67 -2.96 114.38 117.27 1l4s h ARG 22 Ca 0.04 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 1l4s h ARG 22 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1l4s h ARG 22 CO -0.00 0.62 -0.10 -0.07 0.56 0.00 0.00 179.97 180.98 1l4s h LEU 23 N 0.00 0.27 -2.26 3.04 3.38 0.18 -1.99 115.31 117.92 1l4s h LEU 23 Ca -0.01 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1l4s h LEU 23 Cb 1.18 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1l4s h LEU 23 CO 0.08 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1l4s h ALA 24 N 0.58 1.74 0.04 1.53 0.00 -1.45 -1.07 119.26 120.63 1l4s h ALA 24 Ca 0.02 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1l4s h ALA 24 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1l4s h ALA 24 CO 0.03 -0.00 -1.05 -0.22 0.00 0.00 0.00 179.25 178.00 1l4s h LYS 25 N 0.00 0.11 -2.79 0.00 3.11 -1.35 -3.35 116.57 112.30 1l4s h LYS 25 Ca 0.00 -0.17 -0.60 0.00 -2.81 0.00 0.00 60.65 57.07 1l4s h LYS 25 Cb 0.00 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1l4s h LYS 25 CO -0.00 1.06 3.02 1.28 -2.81 0.00 0.00 179.45 182.00 1l4s n LEU 26 N -3.46 8.13 0.00 5.20 4.77 -0.41 -4.07 117.00 127.17 1l4s n LEU 26 Ca -0.03 -4.22 0.00 0.00 -0.03 0.00 0.00 56.01 51.72 1l4s n LEU 26 Cb 0.94 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1l4s n LEU 26 CO 0.49 2.01 0.29 1.21 -1.33 0.00 0.00 177.39 180.07 1l4s n GLU 27 N 3.20 -0.00 0.04 3.23 2.13 -1.26 -4.65 120.64 123.34 1l4s n GLU 27 Ca 0.71 -0.70 0.09 0.00 0.66 0.00 0.00 57.16 57.93 1l4s n GLU 27 Cb 0.34 -0.96 0.39 0.00 0.27 0.00 0.00 31.44 31.48 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 -0.11 0.07 -2.61 5.31 2.85 -1.26 -4.76 118.16 117.65 1l4s n LYS 28 Ca 0.00 0.29 -0.29 0.00 -1.05 0.00 0.00 58.31 57.26 1l4s n LYS 28 Cb 0.08 -1.62 -0.01 0.00 -0.65 0.00 0.00 35.03 32.83 1l4s n LYS 28 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1l4s s TRP 29 N -3.10 3.54 -1.01 5.58 0.52 -1.26 -5.01 118.94 118.20 1l4s s TRP 29 Ca 0.07 0.96 -0.02 0.00 0.02 0.00 0.00 56.10 57.13 1l4s s TRP 29 Cb 0.10 -2.41 0.31 0.00 -1.15 0.00 0.00 33.47 30.32 1l4s s TRP 29 CO 0.33 -0.27 1.52 1.04 0.02 0.00 0.00 176.95 179.58 1l4s n GLN 30 N -1.99 4.60 -3.15 4.98 1.13 -1.26 -4.86 117.38 116.82 1l4s n GLN 30 Ca 0.02 -4.62 0.04 0.00 -1.94 0.00 0.00 57.00 50.50 1l4s n GLN 30 Cb 0.55 -2.47 -0.01 0.00 0.11 0.00 0.00 30.24 28.42 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 -3.33 -0.98 -0.71 5.09 -1.32 -1.26 -5.07 115.64 108.05 1l4s s THR 31 Ca 0.35 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.57 1l4s s THR 31 Cb 0.11 -0.99 -0.10 0.00 -1.51 0.00 0.00 72.50 70.01 1l4s s THR 31 CO 0.02 0.00 2.31 -1.00 -2.21 0.00 0.00 174.62 173.74 1l4s s HIS 32 N 2.85 1.24 0.70 9.09 3.76 -1.26 -4.92 115.29 126.75 1l4s s HIS 32 Ca 0.17 1.63 -0.17 0.00 -0.15 0.00 0.00 55.06 56.55 1l4s s HIS 32 Cb -0.13 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 29.90 1l4s s HIS 32 CO -0.22 -1.89 0.35 1.28 -0.85 0.00 0.00 174.74 173.41 1l4s n LEU 33 N 16.98 -0.21 -3.69 0.89 4.32 -1.26 -4.27 117.00 129.75 1l4s n LEU 33 Ca 0.42 0.58 -0.11 0.00 -0.02 0.00 0.00 56.01 56.88 1l4s n LEU 33 Cb 0.47 -1.14 -0.11 0.00 -1.62 0.00 0.00 43.42 41.02 1l4s n LEU 33 CO 0.60 -3.52 -0.02 -0.63 -1.22 0.00 0.00 177.39 172.60 1l4s s ILE 34 N -1.92 -0.17 -0.88 -0.08 1.01 0.32 -4.93 121.20 114.55 1l4s s ILE 34 Ca 0.63 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.42 1l4s s ILE 34 Cb -0.36 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 1l4s s ILE 34 CO 0.61 0.06 0.73 0.59 0.00 0.00 0.00 174.94 176.93 1l4s n ASN 35 N 4.57 -2.32 -4.71 3.58 4.13 -1.26 -1.19 115.26 118.05 1l4s n ASN 35 Ca -0.19 -0.46 -0.42 0.00 1.68 0.00 0.00 54.58 55.18 1l4s n ASN 35 Cb 0.53 -3.92 -0.03 0.00 -1.54 0.00 0.00 39.78 34.82 1l4s n ASN 35 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1l4s s PRO 36 N -4.92 4.17 -0.03 3.52 0.04 -1.26 -4.46 135.00 132.06 1l4s s PRO 36 Ca 0.03 2.48 0.02 0.00 0.04 0.00 0.00 61.00 63.56 1l4s s PRO 36 Cb -0.00 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1l4s s PRO 36 CO 0.54 -0.70 -0.06 -1.58 0.04 0.00 0.00 177.00 175.24 1l4s s HIS 37 N 1.48 0.70 -0.07 0.56 2.46 -0.93 -1.21 115.29 118.28 1l4s s HIS 37 Ca 0.73 -0.17 0.03 0.00 0.47 0.00 0.00 55.06 56.12 1l4s s HIS 37 Cb -0.46 -0.56 0.01 0.00 -0.13 0.00 0.00 32.58 31.43 1l4s s HIS 37 CO 0.32 -0.12 -0.16 0.42 -2.47 0.00 0.00 174.74 172.73 1l4s s ILE 38 N 0.48 1.41 -0.03 0.89 1.09 0.16 -1.75 121.20 123.46 1l4s s ILE 38 Ca -0.06 -0.65 0.07 0.00 -1.10 0.00 0.00 60.65 58.91 1l4s s ILE 38 Cb -0.10 -1.25 -0.02 0.00 -1.06 0.00 0.00 42.46 40.04 1l4s s ILE 38 CO 0.00 0.41 -0.24 -0.63 -0.10 0.00 0.00 174.94 174.38 1l4s s ILE 39 N 0.46 1.92 -0.11 2.92 1.01 0.15 -0.15 121.20 127.40 1l4s s ILE 39 Ca -0.13 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.52 1l4s s ILE 39 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1l4s s ILE 39 CO 0.05 0.54 -0.21 -0.76 0.00 0.00 0.00 174.94 174.55 1l4s s LEU 40 N -0.47 2.02 0.00 2.97 1.43 0.19 -0.67 118.68 124.15 1l4s s LEU 40 Ca 0.06 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1l4s s LEU 40 Cb -0.10 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 1l4s s LEU 40 CO 0.00 0.11 0.00 -1.20 0.23 0.00 0.00 176.35 175.49 1l4s n SER 41 N 3.79 1.49 -3.61 2.29 7.64 0.19 -3.44 113.62 121.97 1l4s n SER 41 Ca -0.20 -1.13 -0.08 0.00 1.01 0.00 0.00 58.87 58.48 1l4s n SER 41 Cb 0.52 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.10 0.40 0.28 1.43 2.20 -1.26 -2.35 119.74 118.35 1l4s s LYS 42 Ca 0.01 0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1l4s s LYS 42 Cb 0.00 0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 36.46 1l4s s LYS 42 CO 0.00 -0.10 0.07 -1.21 -0.36 0.00 0.00 175.35 173.75 1l4s s GLU 43 N -0.68 1.51 0.66 4.03 2.02 0.11 -4.94 118.70 121.41 1l4s s GLU 43 Ca 0.03 -1.82 0.26 0.00 0.02 0.00 0.00 54.97 53.46 1l4s s GLU 43 Cb -0.02 -0.55 1.42 0.00 0.10 0.00 0.00 34.13 35.08 1l4s s GLU 43 CO -0.04 -0.23 1.80 -1.35 0.02 0.00 0.00 175.26 175.46 1l4s h PRO 44 N 2.28 0.00 0.00 0.39 0.11 -2.04 -2.97 132.00 129.77 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1l4s h PRO 44 CO 0.65 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.38 1l4s n GLN 45 N -2.83 0.00 0.00 1.05 7.27 -1.26 -5.10 117.38 116.51 1l4s n GLN 45 Ca -0.02 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1l4s n GLN 45 Cb 0.46 -0.52 0.00 0.00 2.41 0.00 0.00 30.24 32.59 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 2.29 4.95 3.71 1.69 0.00 -1.12 -4.95 105.19 111.75 1l4s n GLY 46 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.65 3.03 -0.01 1.61 0.40 -0.90 0.08 117.98 121.55 1l4s s PHE 47 Ca 0.00 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1l4s s PHE 47 Cb 0.00 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 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 -1.38 1.57 -0.08 -0.44 1.01 -0.99 -2.56 120.40 117.54 1l4s s VAL 48 Ca 0.27 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1l4s s VAL 48 Cb -0.12 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1l4s s VAL 48 CO 0.19 0.40 -0.06 0.00 0.00 0.00 0.00 175.10 175.64 1l4s s ALA 49 N -0.52 0.98 0.08 5.51 0.00 0.62 0.58 121.76 129.02 1l4s s ALA 49 Ca 0.08 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 51.85 1l4s s ALA 49 Cb -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1l4s s ALA 49 CO -0.00 -0.22 -0.26 -0.51 0.00 0.00 0.00 175.76 174.76 1l4s s ASP 50 N 1.37 3.14 -0.06 0.00 1.11 0.15 -0.17 116.67 122.21 1l4s s ASP 50 Ca -0.03 -0.66 -0.07 0.00 0.18 0.00 0.00 52.55 51.97 1l4s s ASP 50 Cb -0.14 -0.24 0.02 0.00 1.07 0.00 0.00 42.92 43.63 1l4s s ASP 50 CO -0.03 0.21 0.19 0.00 1.18 0.00 0.00 175.17 176.71 1l4s s ALA 51 N -0.93 -0.46 -0.03 5.23 0.00 -0.69 0.31 121.76 125.19 1l4s s ALA 51 Ca 0.12 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1l4s s ALA 51 Cb -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1l4s s ALA 51 CO 0.04 -0.12 -0.03 0.99 0.00 0.00 0.00 175.76 176.64 1l4s s THR 52 N -0.20 0.37 -0.02 0.00 2.01 -0.71 -2.18 115.64 114.91 1l4s s THR 52 Ca -0.03 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1l4s s THR 52 Cb -0.03 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.08 1l4s s THR 52 CO 0.01 0.17 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.39 1l4s s ILE 53 N 0.76 0.72 -0.18 1.82 1.01 -0.96 -2.20 121.20 122.17 1l4s s ILE 53 Ca -0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1l4s s ILE 53 Cb -0.12 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1l4s s ILE 53 CO -0.01 0.22 0.04 0.20 0.00 0.00 0.00 174.94 175.40 1l4s s ASN 54 N 0.04 5.41 0.31 3.58 -0.87 -0.34 -1.77 114.94 121.31 1l4s s ASN 54 Ca -0.00 0.01 0.06 0.00 -1.57 0.00 0.00 52.86 51.36 1l4s s ASN 54 Cb -0.06 -1.92 -0.06 0.00 -0.02 0.00 0.00 41.25 39.18 1l4s s ASN 54 CO 0.00 0.15 -0.03 0.42 -2.57 0.00 0.00 177.10 175.07 1l4s s THR 55 N 0.51 1.67 -1.59 1.60 -4.23 0.99 0.12 115.64 114.71 1l4s s THR 55 Ca 0.02 -2.10 0.20 0.00 -1.18 0.00 0.00 61.69 58.63 1l4s s THR 55 Cb -0.13 -2.60 0.41 0.00 1.34 0.00 0.00 72.50 71.52 1l4s s THR 55 CO 0.01 -0.20 1.60 -0.81 -0.54 0.00 0.00 174.62 174.69 1l4s n PRO 56 N -0.67 0.38 0.00 3.99 -0.04 -1.26 -2.53 135.00 134.87 1l4s n PRO 56 Ca -0.05 0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1l4s n PRO 56 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.20 0.73 0.00 3.54 3.02 -1.26 -5.11 115.26 114.97 1l4s n ASN 57 Ca 0.11 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1l4s n ASN 57 Cb 0.13 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.53 -0.90 3.17 7.41 0.00 -1.05 -5.14 105.19 109.22 1l4s n GLY 58 Ca 0.01 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.51 1.35 0.16 1.61 1.01 -1.26 -0.01 120.40 120.75 1l4s s VAL 59 Ca 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.19 1l4s s VAL 59 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1l4s s VAL 59 CO 0.00 0.23 -0.24 -0.76 0.00 0.00 0.00 175.10 174.34 1l4s s LEU 60 N -0.78 2.45 -0.01 3.92 1.43 -0.73 -5.01 118.68 119.95 1l4s s LEU 60 Ca 0.05 -0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 1l4s s LEU 60 Cb -0.07 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 1l4s s LEU 60 CO 0.00 0.15 0.04 -0.69 0.23 0.00 0.00 176.35 176.09 1l4s s VAL 61 N -1.41 0.04 0.07 -1.59 1.01 -1.26 -2.26 120.40 114.99 1l4s s VAL 61 Ca 0.18 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1l4s s VAL 61 Cb -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1l4s s VAL 61 CO 0.09 -0.17 0.33 0.00 0.00 0.00 0.00 175.10 175.35 1l4s s ALA 62 N -0.50 -0.73 0.04 5.51 0.00 -0.93 -4.89 121.76 120.26 1l4s s ALA 62 Ca -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1l4s s ALA 62 Cb -0.04 0.44 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1l4s s ALA 62 CO -0.00 -0.49 0.14 -1.12 0.00 0.00 0.00 175.76 174.29 1l4s s SER 63 N -2.36 0.11 -0.29 0.00 0.01 -1.26 -1.71 113.70 108.21 1l4s s SER 63 Ca -0.02 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1l4s s SER 63 Cb 0.01 0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.64 1l4s s SER 63 CO -0.06 -0.53 0.33 -0.83 0.41 0.00 0.00 173.24 172.56 1l4s s GLY 64 N -2.10 -0.29 -0.70 3.44 0.00 0.76 -4.36 107.32 104.07 1l4s s GLY 64 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 1l4s s GLY 64 CO -0.04 2.77 1.92 0.28 0.00 0.00 0.00 173.10 178.03 1l4s n LYS 65 N 5.33 2.82 -2.11 2.90 5.02 -1.26 -0.27 118.16 130.59 1l4s n LYS 65 Ca -0.01 -3.51 -0.32 0.00 -2.02 0.00 0.00 58.31 52.44 1l4s n LYS 65 Cb 0.48 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 -3.90 3.17 0.51 2.13 2.46 -1.06 -4.71 115.29 113.90 1l4s s HIS 66 Ca 0.58 1.48 0.26 0.00 0.47 0.00 0.00 55.06 57.84 1l4s s HIS 66 Cb 0.47 -2.92 1.54 0.00 -0.13 0.00 0.00 32.58 31.54 1l4s s HIS 66 CO -0.18 -0.87 2.15 0.93 -2.47 0.00 0.00 174.74 174.30 1l4s h GLU 67 N 0.46 0.00 -5.13 2.88 5.08 -1.93 -2.39 114.58 113.55 1l4s h GLU 67 Ca -0.46 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 1l4s h GLU 67 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 1l4s h GLU 67 CO 0.59 0.06 -0.35 0.34 -1.00 0.00 0.00 179.01 178.66 1l4s s ASP 68 N -6.36 6.21 0.20 1.42 -1.08 -1.26 -3.90 116.67 111.89 1l4s s ASP 68 Ca -0.04 0.23 -0.16 0.00 -0.52 0.00 0.00 52.55 52.05 1l4s s ASP 68 Cb 0.15 -2.17 0.18 0.00 -1.46 0.00 0.00 42.92 39.62 1l4s s ASP 68 CO 0.59 -0.08 1.62 -0.03 0.52 0.00 0.00 175.17 177.78 1l4s h MET 69 N 7.94 -0.07 -0.43 4.34 1.85 -1.89 0.06 114.93 126.73 1l4s h MET 69 Ca -0.34 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.67 1l4s h MET 69 Cb 1.17 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.20 1l4s h MET 69 CO 0.64 -0.05 -0.07 1.88 -0.40 0.00 0.00 176.91 178.91 1l4s h TYR 70 N -0.07 0.81 -0.58 1.39 -1.99 -1.95 -2.55 116.97 112.03 1l4s h TYR 70 Ca 0.27 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1l4s h TYR 70 Cb 0.48 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1l4s h TYR 70 CO -0.53 0.79 0.17 1.15 -0.00 0.00 0.00 178.16 179.74 1l4s h THR 71 N 0.68 1.24 -0.25 -2.88 2.02 -1.54 -1.01 112.91 111.18 1l4s h THR 71 Ca 0.12 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1l4s h THR 71 Cb 0.53 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1l4s h THR 71 CO 0.03 0.32 0.14 0.00 0.37 0.00 0.00 175.52 176.38 1l4s h ALA 72 N 1.04 0.33 -0.14 6.16 0.00 -0.88 0.32 119.26 126.08 1l4s h ALA 72 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1l4s h ALA 72 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1l4s h ALA 72 CO -0.00 -0.15 0.08 0.82 0.00 0.00 0.00 179.25 180.00 1l4s h ILE 73 N 0.30 1.02 -0.64 0.00 2.04 -1.29 0.14 117.51 119.07 1l4s h ILE 73 Ca 0.09 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1l4s h ILE 73 Cb 0.06 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1l4s h ILE 73 CO -0.01 0.03 0.17 0.78 0.00 0.00 0.00 178.15 179.12 1l4s h ASN 74 N 0.17 0.94 -0.29 1.72 2.35 -1.01 -2.52 115.58 116.94 1l4s h ASN 74 Ca 0.05 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1l4s h ASN 74 Cb -0.01 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1l4s h ASN 74 CO -0.02 0.90 0.04 -0.33 -1.65 0.00 0.00 177.43 176.36 1l4s h GLU 75 N 0.96 0.49 0.17 0.81 5.08 0.04 -1.26 114.58 120.86 1l4s h GLU 75 Ca 0.21 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1l4s h GLU 75 Cb 0.32 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1l4s h GLU 75 CO -0.00 0.60 -0.35 1.25 -1.00 0.00 0.00 179.01 179.50 1l4s h LEU 76 N 0.30 -1.01 -1.68 1.33 6.46 -0.54 -0.63 115.31 119.53 1l4s h LEU 76 Ca 0.09 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1l4s h LEU 76 Cb 0.35 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1l4s h LEU 76 CO 0.01 -0.45 0.31 0.40 -0.62 0.00 0.00 178.44 178.09 1l4s h ILE 77 N -0.61 0.97 -0.62 4.05 2.04 -1.44 0.12 117.51 122.02 1l4s h ILE 77 Ca 0.02 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1l4s h ILE 77 Cb 0.62 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1l4s h ILE 77 CO -0.18 0.07 0.41 -1.13 0.00 0.00 0.00 178.15 177.32 1l4s h ASN 78 N 0.39 0.61 1.03 1.72 -1.24 0.09 0.25 115.58 118.43 1l4s h ASN 78 Ca 0.20 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.07 1l4s h ASN 78 Cb 0.31 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1l4s h ASN 78 CO -0.05 0.42 -0.65 0.11 -1.29 0.00 0.00 177.43 175.96 1l4s h LYS 79 N 0.71 0.00 0.01 6.67 6.56 0.23 -0.29 116.57 130.46 1l4s h LYS 79 Ca 0.25 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.84 1l4s h LYS 79 Cb 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1l4s h LYS 79 CO -0.07 0.65 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.90 1l4s h LEU 80 N 0.00 -0.01 -0.31 2.94 3.38 -0.14 0.42 115.31 121.59 1l4s h LEU 80 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1l4s h LEU 80 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1l4s h LEU 80 CO 0.08 0.09 0.14 -0.08 0.09 0.00 0.00 178.44 178.76 1l4s h GLU 81 N -0.12 0.46 -0.37 1.13 4.81 -1.29 -0.48 114.58 118.72 1l4s h GLU 81 Ca -0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1l4s h GLU 81 Cb 0.11 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1l4s h GLU 81 CO 0.00 0.45 0.15 0.00 -0.73 0.00 0.00 179.01 178.88 1l4s h ARG 82 N 0.36 0.52 -0.02 1.92 3.08 -0.79 -2.12 114.38 117.34 1l4s h ARG 82 Ca 0.11 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.87 1l4s h ARG 82 Cb 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1l4s h ARG 82 CO -0.01 0.43 -0.91 1.96 -1.07 0.00 0.00 179.97 180.38 1l4s h GLN 83 N 0.52 0.44 0.00 0.04 4.20 0.18 -3.13 115.11 117.37 1l4s h GLN 83 Ca 0.13 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 1l4s h GLN 83 Cb 0.10 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1l4s h GLN 83 CO -0.01 1.10 -0.18 -0.07 -0.67 0.00 0.00 178.83 179.00 1l4s h LEU 84 N 0.26 0.00 -1.90 1.46 3.38 -0.49 -1.83 115.31 116.19 1l4s h LEU 84 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1l4s h LEU 84 Cb 1.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1l4s h LEU 84 CO 0.16 0.18 -0.13 -1.13 0.09 0.00 0.00 178.44 177.61 1l4s h ASN 85 N 0.00 0.00 0.44 -0.43 -0.00 -1.34 -1.98 115.58 112.27 1l4s h ASN 85 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.15 1l4s h ASN 85 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.68 1l4s h ASN 85 CO 0.02 0.13 -0.65 0.07 -0.00 0.00 0.00 177.43 177.00 1l4s h LYS 86 N 0.00 0.20 0.00 6.67 5.09 -1.44 -2.96 116.57 124.13 1l4s h LYS 86 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 60.65 60.59 1l4s h LYS 86 Cb 0.31 0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.66 1l4s h LYS 86 CO 0.02 0.78 0.00 1.28 -2.09 0.00 0.00 179.45 179.44 1l4s n LEU 87 N -3.83 0.00 0.00 7.07 4.77 -0.74 -2.77 117.00 121.51 1l4s n LEU 87 Ca -0.02 0.43 -0.18 0.00 -0.03 0.00 0.00 56.01 56.20 1l4s n LEU 87 Cb 0.65 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1l4s n LEU 87 CO 0.45 -0.25 0.22 0.06 -1.33 0.00 0.00 177.39 176.54 1l4s h GLN 88 N 0.00 0.61 0.00 3.23 3.07 -1.58 -3.46 115.11 116.98 1l4s h GLN 88 Ca 0.00 -0.58 -0.21 0.00 0.09 0.00 0.00 58.65 57.95 1l4s h GLN 88 Cb 0.17 0.15 0.07 0.00 0.08 0.00 0.00 27.48 27.95 1l4s h GLN 88 CO 0.00 1.20 0.14 -2.39 0.09 0.00 0.00 178.83 177.87 1l4s n HIS 89 N -4.05 -3.65 0.00 0.06 1.44 -1.11 -5.02 115.22 102.88 1l4s n HIS 89 Ca -0.10 -0.68 0.00 0.00 -2.01 0.00 0.00 57.72 54.94 1l4s n HIS 89 Cb 0.74 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.42 1l4s n HIS 89 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1l4s n LYS 90 N -2.15 0.00 0.00 -1.40 4.81 -1.26 -5.05 118.16 113.11 1l4s n LYS 90 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1l4s n LYS 90 Cb 0.28 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.33 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1l4s n GLY 91 N -0.28 3.20 1.65 3.14 0.00 -1.26 -5.00 105.19 106.64 1l4s n GLY 91 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1l4s n GLY 91 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l4s n GLU 92 N 0.00 3.70 -3.07 1.61 4.07 -1.26 -4.96 120.64 120.74 1l4s n GLU 92 Ca 0.00 -2.44 -0.18 0.00 -0.06 0.00 0.00 57.16 54.48 1l4s n GLU 92 Cb 0.00 -2.07 0.02 0.00 -0.06 0.00 0.00 31.44 29.33 1l4s n GLU 92 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l4s n ALA 93 N 0.27 -2.78 -2.27 4.31 0.00 -1.26 -4.97 120.51 113.82 1l4s n ALA 93 Ca 0.26 0.87 -0.01 0.00 0.00 0.00 0.00 53.44 54.57 1l4s n ALA 93 Cb 1.07 -3.17 0.01 0.00 0.00 0.00 0.00 19.45 17.36 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 -0.20 0.20 -0.07 0.00 0.00 -1.26 -5.00 116.66 110.32 1l4s n ARG 94 Ca 0.05 -0.23 -0.12 0.00 -0.00 0.00 0.00 57.85 57.54 1l4s n ARG 94 Cb 0.52 0.21 -0.15 0.00 0.00 0.00 0.00 32.46 33.04 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 -0.23 0.67 -3.18 -0.14 1.74 -1.26 -4.66 116.66 109.60 1l4s n ARG 95 Ca -0.04 0.13 -0.45 0.00 -0.77 0.00 0.00 57.85 56.72 1l4s n ARG 95 Cb 0.51 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.53 4.45 0.92 7.54 0.00 -1.26 -5.02 121.76 125.86 1l4s s ALA 96 Ca -0.14 -3.65 -0.09 0.00 0.00 0.00 0.00 51.96 48.07 1l4s s ALA 96 Cb 0.07 -3.79 0.15 0.00 0.00 0.00 0.00 23.12 19.55 1l4s s ALA 96 CO 0.78 -2.43 0.91 0.00 0.00 0.00 0.00 175.76 175.03 1l4s n ALA 97 N 3.87 -0.83 -2.41 0.00 0.00 -1.26 -5.10 120.51 114.78 1l4s n ALA 97 Ca 0.29 -1.30 -0.31 0.00 0.00 0.00 0.00 53.44 52.12 1l4s n ALA 97 Cb 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 1l4s n ALA 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1l4s s THR 98 N -2.90 2.56 1.17 0.00 2.01 -1.26 -5.13 115.64 112.09 1l4s s THR 98 Ca 0.53 -1.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1l4s s THR 98 Cb -0.02 -2.03 0.27 0.00 0.01 0.00 0.00 72.50 70.74 1l4s s THR 98 CO 0.37 0.41 1.09 -0.55 -0.69 0.00 0.00 174.62 175.25 1l4s s SER 99 N -1.19 1.19 0.00 3.53 0.15 -1.26 -5.03 113.70 111.09 1l4s s SER 99 Ca 0.13 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1l4s s SER 99 Cb -0.10 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1l4s s SER 99 CO 0.03 -3.98 0.00 1.33 1.20 0.00 0.00 173.24 171.82 1l4s n VAL 100 N -4.68 0.00 0.00 4.45 0.24 -1.26 -5.02 118.33 112.06 1l4s n VAL 100 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1l4s n VAL 100 Cb 0.59 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1l4s n VAL 100 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1l4s n LYS 101 N -2.70 0.00 -3.62 7.34 3.00 -1.26 -5.13 118.16 115.78 1l4s n LYS 101 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1l4s n LYS 101 Cb 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.10 1l4s n LYS 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1l4s s ASP 102 N 0.00 0.89 -0.34 3.14 1.01 -1.26 -5.08 116.67 115.03 1l4s s ASP 102 Ca 0.00 0.21 -0.07 0.00 0.71 0.00 0.00 52.55 53.40 1l4s s ASP 102 Cb 0.00 0.37 0.19 0.00 1.01 0.00 0.00 42.92 44.49 1l4s s ASP 102 CO 0.00 -0.27 1.02 0.00 0.21 0.00 0.00 175.17 176.13 1l4s s ALA 103 N 2.32 -4.20 -0.01 5.23 0.00 -1.26 -5.03 121.76 118.81 1l4s s ALA 103 Ca 0.04 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1l4s s ALA 103 Cb -0.13 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 1l4s s ALA 103 CO -0.08 -2.47 -0.01 0.09 0.00 0.00 0.00 175.76 173.29 1l4s n ASN 104 N 3.44 0.53 -4.01 0.00 5.03 -1.26 -4.95 115.26 114.04 1l4s n ASN 104 Ca 0.08 0.01 -0.32 0.00 0.87 0.00 0.00 54.58 55.22 1l4s n ASN 104 Cb 0.63 -0.02 -0.13 0.00 -1.02 0.00 0.00 39.78 39.24 1l4s n ASN 104 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1l4s s PHE 105 N -2.01 3.44 0.13 3.10 5.36 -1.26 -4.88 117.98 121.85 1l4s s PHE 105 Ca -0.01 -2.98 0.00 0.00 -0.96 0.00 0.00 56.93 52.98 1l4s s PHE 105 Cb 0.00 -2.95 0.00 0.00 -0.34 0.00 0.00 43.02 39.73 1l4s s PHE 105 CO 0.01 -0.84 0.00 0.28 -1.46 0.00 0.00 175.22 173.21 1l4s n VAL 106 N 3.66 0.97 -2.32 3.12 0.31 -1.26 -5.14 118.33 117.67 1l4s n VAL 106 Ca 0.04 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1l4s n VAL 106 Cb 0.37 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1l4s n VAL 106 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1l4s n GLU 107 N -3.45 -5.11 0.00 5.55 4.07 -1.26 -5.04 120.64 115.40 1l4s n GLU 107 Ca 0.00 3.72 0.00 0.00 -0.06 0.00 0.00 57.16 60.82 1l4s n GLU 107 Cb 0.00 -4.64 0.00 0.00 -0.06 0.00 0.00 31.44 26.74 1l4s n GLU 107 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1l4s n GLU 108 N 1.80 0.00 -2.52 5.31 1.02 -1.26 -5.03 120.64 119.96 1l4s n GLU 108 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1l4s n GLU 108 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 1l4s n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1l4s s VAL 109 N -1.98 4.36 0.03 2.62 1.01 -1.26 -4.90 120.40 120.28 1l4s s VAL 109 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1l4s s VAL 109 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1l4s s VAL 109 CO 0.00 0.08 0.00 -0.62 0.00 0.00 0.00 175.10 174.56 1l4s n GLU 110 N 4.38 0.00 -3.33 2.72 1.02 -1.26 -5.06 120.64 119.12 1l4s n GLU 110 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1l4s n GLU 110 Cb 0.48 -0.06 -0.06 0.00 -0.02 0.00 0.00 31.44 31.77 1l4s n GLU 110 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1l4s s GLU 111 N -1.19 0.62 0.00 3.49 2.56 -1.26 -5.32 118.70 117.60 1l4s s GLU 111 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.42 1l4s s GLU 111 Cb 0.00 -0.50 0.00 0.00 2.00 0.00 0.00 34.13 35.63 1l4s s GLU 111 CO 0.00 -1.16 0.24 0.39 -0.56 0.00 0.00 175.26 174.17