#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 1.32 -0.16 1.09 0.00 -1.26 -4.58 119.30 115.70 1l4s s MET 2 Ca 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 55.69 54.26 1l4s s MET 2 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 34.83 35.20 1l4s s MET 2 CO 0.00 -0.48 -0.18 1.21 0.00 0.00 0.00 175.02 175.57 1l4s s ASN 3 N -3.08 2.91 -0.11 -1.18 3.84 -0.12 -4.97 114.94 112.23 1l4s s ASN 3 Ca 0.30 -0.57 0.01 0.00 0.21 0.00 0.00 52.86 52.82 1l4s s ASN 3 Cb 0.04 -1.33 0.02 0.00 -0.55 0.00 0.00 41.25 39.42 1l4s s ASN 3 CO 0.09 -0.02 -0.14 -0.51 -2.79 0.00 0.00 177.10 173.73 1l4s s ILE 4 N 1.32 1.46 0.17 -5.21 2.07 -1.26 0.10 121.20 119.85 1l4s s ILE 4 Ca 0.03 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 58.69 1l4s s ILE 4 Cb -0.13 -1.35 -0.05 0.00 0.13 0.00 0.00 42.46 41.06 1l4s s ILE 4 CO -0.11 0.43 -0.01 0.42 -1.91 0.00 0.00 174.94 173.77 1l4s s THR 5 N 1.10 0.73 -0.28 4.00 -4.23 0.72 -4.97 115.64 112.70 1l4s s THR 5 Ca -0.04 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.31 1l4s s THR 5 Cb -0.14 -2.07 0.10 0.00 1.34 0.00 0.00 72.50 71.73 1l4s s THR 5 CO -0.03 -0.52 0.80 -0.94 -0.54 0.00 0.00 174.62 173.38 1l4s s SER 6 N -3.17 -0.77 -0.70 3.99 1.04 -1.26 0.33 113.70 113.17 1l4s s SER 6 Ca 0.22 1.26 -0.02 0.00 0.48 0.00 0.00 55.95 57.90 1l4s s SER 6 Cb 0.06 1.31 0.43 0.00 0.10 0.00 0.00 66.02 67.92 1l4s s SER 6 CO 0.03 -0.20 2.01 0.29 0.98 0.00 0.00 173.24 176.35 1l4s n LYS 7 N 3.87 2.73 0.00 4.02 5.02 -1.21 -4.29 118.16 128.30 1l4s n LYS 7 Ca -0.19 -3.38 0.00 0.00 -2.02 0.00 0.00 58.31 52.73 1l4s n LYS 7 Cb 0.58 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 -0.82 0.00 -4.15 1.97 -0.06 -1.26 -5.01 117.38 108.04 1l4s n GLN 8 Ca 0.60 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 55.39 1l4s n GLN 8 Cb 0.57 -0.19 -0.07 0.00 -4.06 0.00 0.00 30.24 26.49 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 -2.11 0.50 -2.71 3.69 2.81 -1.26 -5.15 117.12 112.89 1l4s n MET 9 Ca 0.00 -3.14 -0.25 0.00 -1.81 0.00 0.00 57.70 52.50 1l4s n MET 9 Cb 0.00 2.07 0.02 0.00 -0.71 0.00 0.00 33.22 34.60 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 -3.36 3.03 -0.31 0.03 1.03 -1.26 -4.67 118.70 113.18 1l4s s GLU 10 Ca 0.27 -0.24 -0.20 0.00 0.03 0.00 0.00 54.97 54.82 1l4s s GLU 10 Cb 0.01 -2.43 -0.01 0.00 -0.80 0.00 0.00 34.13 30.91 1l4s s GLU 10 CO 0.19 -0.45 0.61 0.42 -1.33 0.00 0.00 175.26 174.70 1l4s s ILE 11 N -2.75 4.94 0.00 1.83 -1.09 -1.26 -5.04 121.20 117.84 1l4s s ILE 11 Ca 0.51 0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 59.68 1l4s s ILE 11 Cb -0.10 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1l4s s ILE 11 CO 0.41 -0.16 0.17 0.42 -1.23 0.00 0.00 174.94 174.56 1l4s s THR 12 N 2.59 5.33 0.65 2.92 -4.23 -1.26 -4.98 115.64 116.66 1l4s s THR 12 Ca 0.24 -0.23 0.33 0.00 -1.18 0.00 0.00 61.69 60.86 1l4s s THR 12 Cb -0.15 -3.50 0.35 0.00 1.34 0.00 0.00 72.50 70.54 1l4s s THR 12 CO 0.12 0.30 2.05 -0.65 -0.54 0.00 0.00 174.62 175.91 1l4s h PRO 13 N 3.75 0.00 -0.06 3.99 0.11 -1.98 0.82 132.00 138.63 1l4s h PRO 13 Ca -0.48 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1l4s h PRO 13 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1l4s h PRO 13 CO 0.69 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.77 1l4s h ALA 14 N 1.56 0.16 -0.01 -0.75 0.00 -1.97 0.21 119.26 118.46 1l4s h ALA 14 Ca 0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 1l4s h ALA 14 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l4s h ALA 14 CO -0.00 0.49 -0.62 0.82 0.00 0.00 0.00 179.25 179.95 1l4s h ILE 15 N 0.19 1.44 -0.06 0.00 2.04 -1.33 0.16 117.51 119.94 1l4s h ILE 15 Ca -0.07 -2.10 -0.08 0.00 1.00 0.00 0.00 64.86 63.61 1l4s h ILE 15 Cb 1.37 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1l4s h ILE 15 CO 0.14 0.60 -0.27 0.03 0.00 0.00 0.00 178.15 178.65 1l4s h ARG 16 N 0.03 0.29 -0.41 2.37 3.08 -0.98 -2.57 114.38 116.19 1l4s h ARG 16 Ca -0.01 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1l4s h ARG 16 Cb 1.10 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1l4s h ARG 16 CO 0.08 0.87 -0.15 0.37 -1.07 0.00 0.00 179.97 180.08 1l4s h GLN 17 N -0.22 0.75 0.48 0.04 4.15 -0.49 0.41 115.11 120.22 1l4s h GLN 17 Ca -0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 1l4s h GLN 17 Cb 0.92 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1l4s h GLN 17 CO 0.06 0.85 -0.23 1.25 -1.93 0.00 0.00 178.83 178.83 1l4s h HIS 18 N 0.67 -0.60 -0.35 3.99 2.76 -0.71 0.51 115.15 121.42 1l4s h HIS 18 Ca 0.11 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1l4s h HIS 18 Cb 0.62 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 1l4s h HIS 18 CO 0.03 -0.37 0.23 0.28 -1.30 0.00 0.00 177.93 176.80 1l4s h VAL 19 N -0.64 1.10 -0.54 5.26 2.07 -1.49 -2.59 116.25 119.41 1l4s h VAL 19 Ca -0.07 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1l4s h VAL 19 Cb 0.49 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1l4s h VAL 19 CO 0.11 0.09 0.29 0.00 0.02 0.00 0.00 177.57 178.07 1l4s h ALA 20 N 1.12 0.70 -0.20 1.67 0.00 -0.17 -1.12 119.26 121.26 1l4s h ALA 20 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1l4s h ALA 20 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1l4s h ALA 20 CO -0.03 -0.05 0.14 0.38 0.00 0.00 0.00 179.25 179.69 1l4s h ASP 21 N 0.55 0.18 0.84 0.00 3.04 0.29 -0.45 116.42 120.87 1l4s h ASP 21 Ca 0.24 -0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.89 1l4s h ASP 21 Cb 0.13 -0.04 -0.02 0.00 -1.04 0.00 0.00 39.33 38.36 1l4s h ASP 21 CO -0.16 0.13 -0.63 0.03 -2.04 0.00 0.00 179.24 176.56 1l4s h ARG 22 N 0.21 0.00 0.10 4.15 2.47 -0.86 -2.97 114.38 117.48 1l4s h ARG 22 Ca 0.08 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1l4s h ARG 22 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1l4s h ARG 22 CO -0.02 0.63 -0.05 -0.07 0.56 0.00 0.00 179.97 181.03 1l4s h LEU 23 N 0.00 -0.11 -2.52 3.04 3.38 -0.20 -2.19 115.31 116.71 1l4s h LEU 23 Ca -0.01 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1l4s h LEU 23 Cb 1.23 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1l4s h LEU 23 CO 0.08 0.30 0.04 0.00 0.09 0.00 0.00 178.44 178.96 1l4s h ALA 24 N 0.29 1.46 0.04 1.53 0.00 -1.49 -0.24 119.26 120.86 1l4s h ALA 24 Ca -0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1l4s h ALA 24 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1l4s h ALA 24 CO 0.02 -0.06 -1.01 -0.22 0.00 0.00 0.00 179.25 177.99 1l4s h LYS 25 N 0.00 0.26 -2.50 0.00 1.63 -1.34 -3.32 116.57 111.30 1l4s h LYS 25 Ca 0.01 -0.34 -0.47 0.00 -0.85 0.00 0.00 60.65 59.01 1l4s h LYS 25 Cb 0.10 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1l4s h LYS 25 CO -0.00 1.08 1.82 1.28 -3.45 0.00 0.00 179.45 180.17 1l4s n LEU 26 N -3.63 7.15 -0.16 5.20 4.77 -0.10 -4.06 117.00 126.17 1l4s n LEU 26 Ca -0.06 -3.90 0.02 0.00 -0.03 0.00 0.00 56.01 52.05 1l4s n LEU 26 Cb 0.89 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.52 1l4s n LEU 26 CO 0.50 1.90 0.28 1.21 -1.33 0.00 0.00 177.39 179.95 1l4s n GLU 27 N 2.85 0.51 0.02 3.23 2.13 -1.25 -4.56 120.64 123.56 1l4s n GLU 27 Ca 0.61 -0.67 0.08 0.00 0.66 0.00 0.00 57.16 57.84 1l4s n GLU 27 Cb 0.53 -1.04 0.36 0.00 0.27 0.00 0.00 31.44 31.56 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 0.07 0.02 -2.17 5.31 2.85 -1.26 -4.77 118.16 118.22 1l4s n LYS 28 Ca 0.03 0.25 -0.27 0.00 -1.05 0.00 0.00 58.31 57.26 1l4s n LYS 28 Cb 0.11 -1.54 0.18 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.59 -3.60 0.13 5.58 7.02 -1.26 -5.03 117.44 118.69 1l4s n TRP 29 Ca 0.04 -1.41 0.03 0.00 -1.02 0.00 0.00 57.50 55.13 1l4s n TRP 29 Cb 0.19 -0.93 -0.04 0.00 -2.42 0.00 0.00 31.31 28.12 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 -3.48 2.65 -2.44 -0.99 6.02 -1.26 -4.96 117.38 112.91 1l4s n GLN 30 Ca 0.17 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1l4s n GLN 30 Cb 0.59 -0.96 -0.02 0.00 1.02 0.00 0.00 30.24 30.87 1l4s n GLN 30 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1l4s s THR 31 N -1.98 4.05 1.18 5.09 -1.32 -1.26 -5.00 115.64 116.41 1l4s s THR 31 Ca 0.00 1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 61.46 1l4s s THR 31 Cb 0.04 -4.30 0.29 0.00 -1.51 0.00 0.00 72.50 67.03 1l4s s THR 31 CO 0.24 -0.75 1.02 -1.00 -2.21 0.00 0.00 174.62 171.93 1l4s s HIS 32 N 4.90 1.27 -0.06 9.09 3.76 -1.26 -5.06 115.29 127.93 1l4s s HIS 32 Ca 0.56 1.20 -0.03 0.00 -0.15 0.00 0.00 55.06 56.65 1l4s s HIS 32 Cb -0.13 -3.09 0.04 0.00 1.11 0.00 0.00 32.58 30.51 1l4s s HIS 32 CO 0.30 -3.98 0.14 -0.51 -0.85 0.00 0.00 174.74 169.83 1l4s s LEU 33 N -7.30 0.76 -0.31 0.89 1.02 -1.26 -4.55 118.68 107.93 1l4s s LEU 33 Ca 0.69 0.28 0.03 0.00 0.02 0.00 0.00 54.13 55.14 1l4s s LEU 33 Cb -0.26 0.33 0.09 0.00 0.02 0.00 0.00 46.19 46.37 1l4s s LEU 33 CO 0.65 -0.15 0.01 -0.63 0.02 0.00 0.00 176.35 176.26 1l4s s ILE 34 N 1.15 2.03 -0.49 -0.59 1.09 -1.10 -4.90 121.20 118.39 1l4s s ILE 34 Ca -0.09 -1.98 -0.24 0.00 -1.10 0.00 0.00 60.65 57.24 1l4s s ILE 34 Cb -0.12 -2.40 0.03 0.00 -1.06 0.00 0.00 42.46 38.92 1l4s s ILE 34 CO -0.06 -0.44 0.64 0.59 -0.10 0.00 0.00 174.94 175.57 1l4s n ASN 35 N 4.40 -6.71 -4.73 3.58 3.02 -1.26 -4.51 115.26 109.03 1l4s n ASN 35 Ca -0.02 0.10 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1l4s n ASN 35 Cb 0.42 -3.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.97 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 -2.73 4.54 -0.20 3.52 0.04 -1.26 -4.77 135.00 134.14 1l4s s PRO 36 Ca 0.27 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.41 1l4s s PRO 36 Cb -0.05 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1l4s s PRO 36 CO 0.82 0.19 0.05 -1.58 0.04 0.00 0.00 177.00 176.53 1l4s s HIS 37 N 0.22 3.17 -0.07 0.56 2.46 -0.63 -0.94 115.29 120.06 1l4s s HIS 37 Ca 0.42 -0.10 0.06 0.00 0.47 0.00 0.00 55.06 55.90 1l4s s HIS 37 Cb -0.21 -2.10 -0.01 0.00 -0.13 0.00 0.00 32.58 30.13 1l4s s HIS 37 CO 0.24 -0.00 -0.25 0.42 -2.47 0.00 0.00 174.74 172.68 1l4s s ILE 38 N 0.69 2.04 0.09 0.89 1.09 0.29 -0.95 121.20 125.35 1l4s s ILE 38 Ca 0.03 -1.05 0.08 0.00 -1.10 0.00 0.00 60.65 58.61 1l4s s ILE 38 Cb -0.13 -1.73 -0.04 0.00 -1.06 0.00 0.00 42.46 39.49 1l4s s ILE 38 CO 0.02 0.56 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.61 1l4s s ILE 39 N -0.04 2.82 -0.10 2.92 1.01 0.18 -0.20 121.20 127.78 1l4s s ILE 39 Ca -0.07 -1.40 0.03 0.00 0.00 0.00 0.00 60.65 59.20 1l4s s ILE 39 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1l4s s ILE 39 CO 0.05 0.18 -0.18 -0.76 0.00 0.00 0.00 174.94 174.23 1l4s s LEU 40 N -1.91 1.86 0.00 2.97 1.43 0.15 -0.88 118.68 122.30 1l4s s LEU 40 Ca 0.17 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1l4s s LEU 40 Cb -0.11 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 1l4s s LEU 40 CO 0.09 0.07 0.00 -1.20 0.23 0.00 0.00 176.35 175.54 1l4s n SER 41 N 3.92 1.49 -3.62 2.29 7.64 0.20 -3.35 113.62 122.19 1l4s n SER 41 Ca -0.20 -1.12 -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 63.70 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 -2.09 0.41 0.23 1.43 2.36 -1.26 -2.35 119.74 118.46 1l4s s LYS 42 Ca 0.01 0.25 0.04 0.00 -2.55 0.00 0.00 55.97 53.72 1l4s s LYS 42 Cb 0.00 0.19 -0.05 0.00 -1.05 0.00 0.00 37.83 36.92 1l4s s LYS 42 CO 0.00 -0.09 -0.02 -1.21 1.55 0.00 0.00 175.35 175.58 1l4s s GLU 43 N -0.51 1.34 0.64 4.03 0.41 0.14 -4.93 118.70 119.82 1l4s s GLU 43 Ca 0.03 -1.67 0.20 0.00 -0.41 0.00 0.00 54.97 53.11 1l4s s GLU 43 Cb -0.03 -0.70 0.97 0.00 -1.78 0.00 0.00 34.13 32.60 1l4s s GLU 43 CO -0.05 -0.06 1.52 -1.00 -0.49 0.00 0.00 175.26 175.19 1l4s h PRO 44 N 2.47 0.00 0.00 0.39 0.13 -2.04 -2.68 132.00 130.28 1l4s h PRO 44 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1l4s h PRO 44 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1l4s h PRO 44 CO 0.65 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.36 1l4s n GLN 45 N -2.96 0.00 0.00 0.86 -0.06 -1.26 -5.09 117.38 108.87 1l4s n GLN 45 Ca 0.04 0.06 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 1l4s n GLN 45 Cb 0.81 -0.46 0.00 0.00 -4.06 0.00 0.00 30.24 26.53 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1l4s n GLY 46 N 2.41 5.26 3.65 1.69 0.00 -1.01 -4.96 105.19 112.24 1l4s n GLY 46 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 0.35 2.89 -0.01 1.61 0.40 -0.93 0.27 117.98 122.56 1l4s s PHE 47 Ca 0.00 -0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 1l4s s PHE 47 Cb 0.00 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1l4s s PHE 47 CO 0.00 0.47 -0.21 0.08 0.70 0.00 0.00 175.22 176.26 1l4s s VAL 48 N -1.38 1.66 -0.07 -0.44 1.01 -0.99 -2.71 120.40 117.48 1l4s s VAL 48 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1l4s s VAL 48 Cb -0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1l4s s VAL 48 CO 0.17 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.65 1l4s s ALA 49 N -0.53 0.98 0.09 5.51 0.00 0.17 0.59 121.76 128.57 1l4s s ALA 49 Ca 0.08 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.85 1l4s s ALA 49 Cb -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1l4s s ALA 49 CO -0.01 -0.20 -0.20 -0.51 0.00 0.00 0.00 175.76 174.84 1l4s s ASP 50 N 1.33 3.70 -0.05 0.00 1.11 -0.06 -0.07 116.67 122.62 1l4s s ASP 50 Ca -0.04 -0.55 -0.07 0.00 0.18 0.00 0.00 52.55 52.08 1l4s s ASP 50 Cb -0.14 -0.49 0.01 0.00 1.07 0.00 0.00 42.92 43.38 1l4s s ASP 50 CO -0.03 0.21 0.17 0.00 1.18 0.00 0.00 175.17 176.70 1l4s s ALA 51 N -1.03 -0.42 -0.04 5.23 0.00 -0.42 0.49 121.76 125.57 1l4s s ALA 51 Ca 0.16 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1l4s s ALA 51 Cb -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1l4s s ALA 51 CO 0.07 -0.12 -0.04 0.99 0.00 0.00 0.00 175.76 176.66 1l4s s THR 52 N -0.31 0.47 -0.02 0.00 2.01 -0.12 -2.20 115.64 115.46 1l4s s THR 52 Ca -0.04 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1l4s s THR 52 Cb -0.03 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 1l4s s THR 52 CO 0.01 0.21 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.40 1l4s s ILE 53 N 0.88 0.96 -0.13 1.82 1.01 -0.98 -1.61 121.20 123.15 1l4s s ILE 53 Ca -0.11 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1l4s s ILE 53 Cb -0.14 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1l4s s ILE 53 CO -0.00 0.29 0.10 0.20 0.00 0.00 0.00 174.94 175.52 1l4s s ASN 54 N -0.01 6.02 0.15 3.58 -0.87 -1.26 -1.83 114.94 120.72 1l4s s ASN 54 Ca -0.00 0.32 0.04 0.00 -1.57 0.00 0.00 52.86 51.64 1l4s s ASN 54 Cb -0.08 -1.94 -0.05 0.00 -0.02 0.00 0.00 41.25 39.17 1l4s s ASN 54 CO 0.00 0.34 -0.07 0.42 -2.57 0.00 0.00 177.10 175.22 1l4s s THR 55 N -0.61 1.03 -1.07 1.60 -4.23 0.15 -2.73 115.64 109.79 1l4s s THR 55 Ca 0.12 -2.03 0.12 0.00 -1.18 0.00 0.00 61.69 58.72 1l4s s THR 55 Cb -0.12 -1.92 0.12 0.00 1.34 0.00 0.00 72.50 71.92 1l4s s THR 55 CO 0.02 -0.68 1.37 -2.65 -0.54 0.00 0.00 174.62 172.14 1l4s n PRO 56 N -0.21 0.03 0.00 3.99 -0.02 -1.26 -2.28 135.00 135.25 1l4s n PRO 56 Ca -0.09 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.68 1l4s n PRO 56 Cb 0.61 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.47 0.85 0.00 2.55 4.13 -1.26 -5.11 115.26 114.96 1l4s n ASN 57 Ca 0.03 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.37 1l4s n ASN 57 Cb 0.13 0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1l4s n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l4s n GLY 58 N 0.51 -0.89 3.01 7.41 0.00 -0.97 -5.14 105.19 109.13 1l4s n GLY 58 Ca 0.01 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.95 0.63 0.22 1.61 1.01 -1.26 0.33 120.40 119.98 1l4s s VAL 59 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1l4s s VAL 59 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1l4s s VAL 59 CO 0.00 0.13 -0.10 -0.76 0.00 0.00 0.00 175.10 174.37 1l4s s LEU 60 N -0.31 2.91 0.02 3.92 1.43 -0.76 -5.01 118.68 120.88 1l4s s LEU 60 Ca 0.02 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1l4s s LEU 60 Cb -0.04 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1l4s s LEU 60 CO -0.00 0.07 -0.02 -0.69 0.23 0.00 0.00 176.35 175.94 1l4s s VAL 61 N -2.01 0.10 0.06 -1.59 1.01 -1.26 -2.32 120.40 114.39 1l4s s VAL 61 Ca 0.27 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1l4s s VAL 61 Cb -0.07 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.08 1l4s s VAL 61 CO 0.16 -0.48 0.45 0.00 0.00 0.00 0.00 175.10 175.23 1l4s s ALA 62 N -1.41 -1.12 0.06 5.51 0.00 -0.94 -4.83 121.76 119.03 1l4s s ALA 62 Ca -0.15 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 1l4s s ALA 62 Cb -0.10 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1l4s s ALA 62 CO -0.01 -0.51 0.15 -1.54 0.00 0.00 0.00 175.76 173.85 1l4s s SER 63 N -2.12 0.16 -0.25 0.00 1.04 -1.26 -1.30 113.70 109.98 1l4s s SER 63 Ca -0.04 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1l4s s SER 63 Cb -0.00 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.55 1l4s s SER 63 CO -0.04 -0.64 0.39 -0.83 0.98 0.00 0.00 173.24 173.11 1l4s s GLY 64 N -2.59 -0.46 -0.58 7.32 0.00 0.90 -4.20 107.32 107.71 1l4s s GLY 64 Ca 0.02 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.67 1l4s s GLY 64 CO -0.08 2.74 1.63 0.28 0.00 0.00 0.00 173.10 177.66 1l4s n LYS 65 N 5.37 3.09 -2.03 2.90 5.02 -1.26 0.44 118.16 131.69 1l4s n LYS 65 Ca -0.03 -3.84 -0.32 0.00 -2.02 0.00 0.00 58.31 52.10 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 -3.78 3.17 0.51 2.13 2.46 -1.10 -4.73 115.29 113.96 1l4s s HIS 66 Ca 0.54 1.47 0.22 0.00 0.47 0.00 0.00 55.06 57.76 1l4s s HIS 66 Cb 0.44 -2.91 1.44 0.00 -0.13 0.00 0.00 32.58 31.42 1l4s s HIS 66 CO -0.15 -0.92 2.14 1.05 -2.47 0.00 0.00 174.74 174.39 1l4s h GLU 67 N 0.28 0.00 -5.06 2.88 -0.00 -1.93 -2.47 114.58 108.28 1l4s h GLU 67 Ca -0.46 0.00 -0.63 0.00 -0.00 0.00 0.00 59.36 58.27 1l4s h GLU 67 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.80 1l4s h GLU 67 CO 0.59 0.06 -0.40 0.34 -0.00 0.00 0.00 179.01 179.59 1l4s s ASP 68 N -6.59 6.15 0.20 3.06 -1.08 -1.26 -3.84 116.67 113.30 1l4s s ASP 68 Ca -0.04 0.15 -0.15 0.00 -0.52 0.00 0.00 52.55 51.99 1l4s s ASP 68 Cb 0.15 -2.15 0.20 0.00 -1.46 0.00 0.00 42.92 39.66 1l4s s ASP 68 CO 0.62 -0.07 1.63 -0.03 0.52 0.00 0.00 175.17 177.84 1l4s h MET 69 N 8.05 -0.02 -0.34 4.34 1.85 -1.89 0.41 114.93 127.33 1l4s h MET 69 Ca -0.35 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 58.68 1l4s h MET 69 Cb 1.18 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 1l4s h MET 69 CO 0.61 -0.01 -0.04 1.88 -0.40 0.00 0.00 176.91 178.95 1l4s h TYR 70 N -0.02 0.69 -0.60 1.39 -1.99 -1.95 -2.09 116.97 112.39 1l4s h TYR 70 Ca 0.28 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 1l4s h TYR 70 Cb 0.45 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 1l4s h TYR 70 CO -0.50 0.77 0.19 1.15 -0.00 0.00 0.00 178.16 179.77 1l4s h THR 71 N 0.42 1.24 -0.18 -2.88 2.02 -1.73 -1.54 112.91 110.26 1l4s h THR 71 Ca 0.09 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1l4s h THR 71 Cb 0.52 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1l4s h THR 71 CO 0.03 0.31 0.10 0.00 0.37 0.00 0.00 175.52 176.33 1l4s h ALA 72 N 1.06 0.24 -0.61 6.16 0.00 -0.18 0.52 119.26 126.46 1l4s h ALA 72 Ca 0.20 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1l4s h ALA 72 Cb 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1l4s h ALA 72 CO -0.01 -0.23 0.37 0.82 0.00 0.00 0.00 179.25 180.20 1l4s h ILE 73 N 0.20 1.07 -0.48 0.00 2.04 -1.23 -0.45 117.51 118.65 1l4s h ILE 73 Ca 0.06 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1l4s h ILE 73 Cb 0.06 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1l4s h ILE 73 CO -0.01 0.13 0.12 0.78 0.00 0.00 0.00 178.15 179.17 1l4s h ASN 74 N 0.73 0.68 -0.58 1.72 4.21 -1.00 -2.33 115.58 119.01 1l4s h ASN 74 Ca 0.24 -0.11 -0.06 0.00 1.21 0.00 0.00 56.30 57.58 1l4s h ASN 74 Cb 0.02 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 1l4s h ASN 74 CO -0.10 0.67 0.12 -0.33 -1.29 0.00 0.00 177.43 176.50 1l4s h GLU 75 N 0.71 0.95 0.49 0.81 5.08 0.12 -0.57 114.58 122.17 1l4s h GLU 75 Ca 0.16 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1l4s h GLU 75 Cb 0.26 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1l4s h GLU 75 CO -0.00 0.89 -0.51 1.25 -1.00 0.00 0.00 179.01 179.64 1l4s h LEU 76 N 0.85 -1.41 -1.95 1.33 6.46 -0.59 -0.38 115.31 119.63 1l4s h LEU 76 Ca 0.18 0.11 0.11 0.00 -0.12 0.00 0.00 57.88 58.16 1l4s h LEU 76 Cb 0.38 0.47 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1l4s h LEU 76 CO 0.01 -0.67 0.29 0.40 -0.62 0.00 0.00 178.44 177.84 1l4s h ILE 77 N -1.01 0.82 -0.19 4.05 2.04 -1.40 0.42 117.51 122.24 1l4s h ILE 77 Ca -0.06 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1l4s h ILE 77 Cb 0.88 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1l4s h ILE 77 CO -0.07 0.01 0.13 -1.13 0.00 0.00 0.00 178.15 177.08 1l4s h ASN 78 N 0.05 0.20 1.30 1.72 -0.73 0.54 -0.32 115.58 118.34 1l4s h ASN 78 Ca 0.19 -0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.24 1l4s h ASN 78 Cb 0.70 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.22 1l4s h ASN 78 CO -0.01 0.14 -0.73 0.11 -0.37 0.00 0.00 177.43 176.57 1l4s h LYS 79 N 0.24 0.00 -0.17 6.67 1.79 0.85 -2.61 116.57 123.33 1l4s h LYS 79 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1l4s h LYS 79 Cb -0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1l4s h LYS 79 CO -0.01 0.42 0.05 -0.07 -1.08 0.00 0.00 179.45 178.75 1l4s h LEU 80 N 0.00 0.26 -0.55 2.94 3.38 -0.39 0.59 115.31 121.54 1l4s h LEU 80 Ca -0.04 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1l4s h LEU 80 Cb 1.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1l4s h LEU 80 CO 0.06 0.41 0.35 -0.08 0.09 0.00 0.00 178.44 179.26 1l4s h GLU 81 N 0.10 0.68 -0.30 1.13 4.81 -1.39 0.47 114.58 120.07 1l4s h GLU 81 Ca 0.06 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1l4s h GLU 81 Cb 0.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1l4s h GLU 81 CO -0.00 0.45 -0.37 0.00 -0.73 0.00 0.00 179.01 178.36 1l4s h ARG 82 N 0.70 0.69 0.02 1.92 3.08 -1.17 -2.93 114.38 116.69 1l4s h ARG 82 Ca 0.21 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1l4s h ARG 82 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1l4s h ARG 82 CO -0.07 0.94 -0.19 1.96 -1.07 0.00 0.00 179.97 181.55 1l4s h GLN 83 N 0.57 0.09 0.00 0.04 4.20 0.57 -3.26 115.11 117.32 1l4s h GLN 83 Ca 0.05 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1l4s h GLN 83 Cb 0.89 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1l4s h GLN 83 CO 0.08 0.98 0.00 1.47 -0.67 0.00 0.00 178.83 180.69 1l4s n LEU 84 N -4.53 0.61 0.20 1.46 -0.00 0.16 -1.17 117.00 113.73 1l4s n LEU 84 Ca -0.10 0.73 0.05 0.00 -0.00 0.00 0.00 56.01 56.69 1l4s n LEU 84 Cb 0.52 -0.74 0.43 0.00 -0.00 0.00 0.00 43.42 43.63 1l4s n LEU 84 CO 0.38 -0.81 0.77 -1.13 -0.00 0.00 0.00 177.39 176.59 1l4s h ASN 85 N 0.00 0.00 0.53 1.45 -0.00 -1.55 -2.07 115.58 113.94 1l4s h ASN 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1l4s h ASN 85 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1l4s h ASN 85 CO 0.00 0.32 0.00 0.29 -0.00 0.00 0.00 177.43 178.04 1l4s n LYS 86 N -3.90 0.03 0.21 6.67 4.76 -0.32 -2.61 118.16 122.99 1l4s n LYS 86 Ca -0.02 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.71 1l4s n LYS 86 Cb 0.39 -1.50 0.43 0.00 -1.84 0.00 0.00 35.03 32.51 1l4s n LYS 86 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1l4s h LEU 87 N 0.00 0.00 -0.01 -0.35 3.38 -1.52 -2.40 115.31 114.42 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1l4s h LEU 87 CO 0.00 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1l4s n GLN 88 N -3.66 0.00 -0.06 1.13 6.02 -1.07 -3.78 117.38 115.97 1l4s n GLN 88 Ca -0.01 0.11 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1l4s n GLN 88 Cb 0.42 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.17 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 0.00 -0.25 1.08 3.86 -1.62 -3.50 115.15 114.73 1l4s h HIS 89 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1l4s h HIS 89 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1l4s h HIS 89 CO 0.00 0.00 0.00 1.63 0.86 0.00 0.00 177.93 180.42 1l4s n LYS 90 N -4.49 0.00 -0.00 2.45 5.02 -1.22 -4.63 118.16 115.29 1l4s n LYS 90 Ca -0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1l4s n LYS 90 Cb 0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.13 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l4s n GLY 91 N 0.00 0.08 2.43 0.72 0.00 -1.26 -5.10 105.19 102.06 1l4s n GLY 91 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1l4s n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l4s n GLU 92 N -1.47 -4.53 -3.62 1.61 -0.58 -1.26 -5.08 120.64 105.71 1l4s n GLU 92 Ca -0.00 3.39 -0.01 0.00 -0.42 0.00 0.00 57.16 60.12 1l4s n GLU 92 Cb 0.07 -4.71 -0.04 0.00 -0.57 0.00 0.00 31.44 26.19 1l4s n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1l4s s ALA 93 N -0.60 -2.11 -0.42 0.62 0.00 -1.26 -5.11 121.76 112.88 1l4s s ALA 93 Ca -0.18 2.32 0.04 0.00 0.00 0.00 0.00 51.96 54.14 1l4s s ALA 93 Cb 0.01 -1.79 0.17 0.00 0.00 0.00 0.00 23.12 21.51 1l4s s ALA 93 CO 0.50 -0.90 0.43 -0.98 0.00 0.00 0.00 175.76 174.81 1l4s s ARG 94 N 2.77 0.84 0.01 0.00 1.70 -1.26 -5.12 118.95 117.89 1l4s s ARG 94 Ca -0.06 -1.47 -0.05 0.00 -0.47 0.00 0.00 55.73 53.68 1l4s s ARG 94 Cb -0.11 -0.90 0.02 0.00 -0.57 0.00 0.00 34.95 33.38 1l4s s ARG 94 CO -0.19 -1.31 0.24 0.54 -1.08 0.00 0.00 175.30 173.50 1l4s n ARG 95 N 3.35 0.07 -0.07 3.89 5.12 -1.26 -5.06 116.66 122.69 1l4s n ARG 95 Ca 0.21 -0.21 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 1l4s n ARG 95 Cb 0.48 0.31 -0.12 0.00 -1.16 0.00 0.00 32.46 31.97 1l4s n ARG 95 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l4s h ALA 96 N 2.00 0.18 -2.39 7.54 0.00 -2.08 -3.49 119.26 121.02 1l4s h ALA 96 Ca -0.05 -1.01 -0.49 0.00 0.00 0.00 0.00 54.91 53.36 1l4s h ALA 96 Cb 0.24 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1l4s h ALA 96 CO 0.07 0.56 -0.51 0.00 0.00 0.00 0.00 179.25 179.37 1l4s s ALA 97 N -2.35 2.24 0.06 0.00 0.00 -1.26 -5.10 121.76 115.35 1l4s s ALA 97 Ca -0.24 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 49.99 1l4s s ALA 97 Cb 0.03 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.35 1l4s s ALA 97 CO 0.65 -0.53 0.00 -2.37 0.00 0.00 0.00 175.76 173.51 1l4s n THR 98 N -0.71 0.19 0.16 0.00 5.66 -1.26 -5.06 114.28 113.26 1l4s n THR 98 Ca 0.02 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1l4s n THR 98 Cb 0.64 -1.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1l4s n THR 98 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1l4s n SER 99 N -2.98 -2.93 -3.67 1.09 3.41 -1.26 -5.12 113.62 102.17 1l4s n SER 99 Ca 0.00 0.76 -0.22 0.00 -0.26 0.00 0.00 58.87 59.15 1l4s n SER 99 Cb 0.18 2.86 -0.18 0.00 -0.26 0.00 0.00 64.21 66.82 1l4s n SER 99 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1l4s s VAL 100 N -1.93 -0.03 0.34 -3.33 1.01 -1.26 -5.13 120.40 110.07 1l4s s VAL 100 Ca 0.00 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1l4s s VAL 100 Cb 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 36.10 1l4s s VAL 100 CO 0.00 0.05 0.85 -0.54 0.00 0.00 0.00 175.10 175.46 1l4s s LYS 101 N 2.13 2.04 -0.27 2.72 3.01 -1.26 -5.19 119.74 122.93 1l4s s LYS 101 Ca 0.04 -1.32 -0.26 0.00 -1.01 0.00 0.00 55.97 53.42 1l4s s LYS 101 Cb -0.13 0.57 0.15 0.00 -1.01 0.00 0.00 37.83 37.40 1l4s s LYS 101 CO -0.05 -0.96 1.16 0.34 0.51 0.00 0.00 175.35 176.35 1l4s s ASP 102 N -3.16 -0.31 -0.17 2.83 -1.08 -1.26 -5.15 116.67 108.38 1l4s s ASP 102 Ca 0.17 0.54 -0.07 0.00 -0.52 0.00 0.00 52.55 52.67 1l4s s ASP 102 Cb -0.05 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.90 1l4s s ASP 102 CO 0.10 -0.14 0.08 0.00 0.52 0.00 0.00 175.17 175.74 1l4s s ALA 103 N -0.11 3.53 -0.79 3.66 0.00 -1.26 -5.05 121.76 121.73 1l4s s ALA 103 Ca 0.04 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 1l4s s ALA 103 Cb -0.04 -1.94 0.17 0.00 0.00 0.00 0.00 23.12 21.31 1l4s s ALA 103 CO -0.08 0.29 0.83 -0.80 0.00 0.00 0.00 175.76 176.00 1l4s s ASN 104 N 0.02 6.59 0.01 0.00 0.01 -1.26 -4.89 114.94 115.42 1l4s s ASN 104 Ca 0.07 -2.26 -0.23 0.00 -0.71 0.00 0.00 52.86 49.73 1l4s s ASN 104 Cb -0.12 -2.27 -0.17 0.00 0.41 0.00 0.00 41.25 39.10 1l4s s ASN 104 CO 0.00 -0.81 1.31 0.15 -1.51 0.00 0.00 177.10 176.25 1l4s h PHE 105 N 8.36 0.22 -3.31 2.20 3.57 -2.09 -3.50 116.94 122.39 1l4s h PHE 105 Ca 0.02 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1l4s h PHE 105 Cb 1.05 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1l4s h PHE 105 CO 1.02 0.61 -0.81 0.28 -2.23 0.00 0.00 178.31 177.18 1l4s n VAL 106 N -4.71 -4.87 -3.09 1.41 0.31 -1.26 -5.02 118.33 101.10 1l4s n VAL 106 Ca -0.07 2.15 -0.20 0.00 -0.01 0.00 0.00 64.34 66.21 1l4s n VAL 106 Cb 0.30 -2.96 0.06 0.00 -0.91 0.00 0.00 33.84 30.33 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 -0.80 0.60 0.00 5.55 2.13 -1.26 -4.72 120.64 122.14 1l4s n GLU 107 Ca 0.00 -3.19 0.00 0.00 0.66 0.00 0.00 57.16 54.63 1l4s n GLU 107 Cb 0.00 -0.21 0.00 0.00 0.27 0.00 0.00 31.44 31.50 1l4s n GLU 107 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1l4s n GLU 108 N -2.26 0.00 -1.45 5.31 1.02 -1.26 -4.86 120.64 117.15 1l4s n GLU 108 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1l4s n GLU 108 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 1l4s n GLU 108 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1l4s n VAL 109 N 0.00 -4.82 -2.90 2.62 0.31 -1.26 -5.03 118.33 107.24 1l4s n VAL 109 Ca 0.00 2.13 -0.14 0.00 -0.01 0.00 0.00 64.34 66.32 1l4s n VAL 109 Cb 0.00 -2.94 0.06 0.00 -0.91 0.00 0.00 33.84 30.05 1l4s n VAL 109 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1l4s n GLU 110 N -0.35 0.58 -0.02 5.55 -0.58 -1.26 -5.07 120.64 119.49 1l4s n GLU 110 Ca 0.00 -2.09 -0.03 0.00 -0.42 0.00 0.00 57.16 54.63 1l4s n GLU 110 Cb 0.00 -0.24 -0.02 0.00 -0.57 0.00 0.00 31.44 30.62 1l4s n GLU 110 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1l4s n GLU 111 N -1.97 0.09 0.00 3.49 0.28 -1.26 -5.27 120.64 116.00 1l4s n GLU 111 Ca 0.11 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1l4s n GLU 111 Cb 0.41 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.25 1l4s n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06