#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 0.27 -0.16 -0.78 0.00 -1.26 -4.52 119.30 112.85 1l4s s MET 2 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 55.69 56.04 1l4s s MET 2 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 34.83 35.01 1l4s s MET 2 CO 0.00 -0.45 -0.20 -0.80 0.00 0.00 0.00 175.02 173.57 1l4s s ASN 3 N 2.92 3.19 -0.13 1.11 -0.87 -1.05 -5.04 114.94 115.07 1l4s s ASN 3 Ca 0.17 -0.61 0.03 0.00 -1.57 0.00 0.00 52.86 50.88 1l4s s ASN 3 Cb -0.06 -1.47 0.01 0.00 -0.02 0.00 0.00 41.25 39.70 1l4s s ASN 3 CO -0.21 0.05 -0.21 -0.63 -2.57 0.00 0.00 177.10 173.53 1l4s s ILE 4 N 1.02 1.99 0.13 0.60 1.01 -1.26 0.75 121.20 125.43 1l4s s ILE 4 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1l4s s ILE 4 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1l4s s ILE 4 CO -0.06 0.54 -0.07 0.42 0.00 0.00 0.00 174.94 175.77 1l4s s THR 5 N 0.79 0.88 -0.23 2.92 -4.23 0.35 -4.88 115.64 111.24 1l4s s THR 5 Ca -0.08 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.17 1l4s s THR 5 Cb -0.16 -1.82 0.09 0.00 1.34 0.00 0.00 72.50 71.96 1l4s s THR 5 CO -0.01 -0.76 0.84 -0.94 -0.54 0.00 0.00 174.62 173.21 1l4s s SER 6 N -3.11 -0.60 -0.45 3.99 1.04 -1.26 -0.21 113.70 113.10 1l4s s SER 6 Ca 0.16 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.67 1l4s s SER 6 Cb 0.04 1.01 0.62 0.00 0.10 0.00 0.00 66.02 67.79 1l4s s SER 6 CO -0.01 -0.29 1.85 0.29 0.98 0.00 0.00 173.24 176.06 1l4s n LYS 7 N 2.05 2.25 0.00 4.02 5.02 -1.24 -4.43 118.16 125.82 1l4s n LYS 7 Ca -0.14 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 1l4s n LYS 7 Cb 0.56 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.11 0.00 -3.15 1.97 -0.06 -1.26 -5.07 117.38 108.69 1l4s n GLN 8 Ca 0.56 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.41 1l4s n GLN 8 Cb 1.45 -0.10 -0.03 0.00 -4.06 0.00 0.00 30.24 27.51 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 -2.30 1.43 -4.20 3.69 2.81 -1.26 -5.17 117.12 112.12 1l4s n MET 9 Ca 0.00 -1.65 -0.24 0.00 -1.81 0.00 0.00 57.70 54.00 1l4s n MET 9 Cb 0.00 0.42 -0.08 0.00 -0.71 0.00 0.00 33.22 32.86 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 -2.83 2.20 -0.34 0.03 1.03 -1.26 -4.58 118.70 112.94 1l4s s GLU 10 Ca 0.01 -1.77 -0.20 0.00 0.03 0.00 0.00 54.97 53.04 1l4s s GLU 10 Cb -0.00 -1.99 -0.00 0.00 -0.80 0.00 0.00 34.13 31.34 1l4s s GLU 10 CO 0.01 -0.00 0.61 0.42 -1.33 0.00 0.00 175.26 174.97 1l4s s ILE 11 N -2.55 4.93 0.05 1.83 -1.09 -1.26 -5.04 121.20 118.07 1l4s s ILE 11 Ca 0.38 0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 59.42 1l4s s ILE 11 Cb 0.02 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1l4s s ILE 11 CO 0.21 -0.24 0.21 0.42 -1.23 0.00 0.00 174.94 174.32 1l4s s THR 12 N 2.62 5.38 0.61 2.92 -4.23 -1.26 -4.98 115.64 116.71 1l4s s THR 12 Ca 0.24 -0.33 0.36 0.00 -1.18 0.00 0.00 61.69 60.78 1l4s s THR 12 Cb -0.15 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.43 1l4s s THR 12 CO 0.14 0.17 2.09 -0.65 -0.54 0.00 0.00 174.62 175.82 1l4s h PRO 13 N 3.19 0.00 0.10 3.99 0.11 -1.98 0.54 132.00 137.95 1l4s h PRO 13 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1l4s h PRO 13 Cb 1.16 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.30 1l4s h PRO 13 CO 0.75 0.00 -1.05 0.00 -0.21 0.00 0.00 178.00 177.49 1l4s h ALA 14 N 1.64 -0.01 0.00 -0.75 0.00 -1.97 0.22 119.26 118.39 1l4s h ALA 14 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1l4s h ALA 14 Cb 0.35 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1l4s h ALA 14 CO 0.00 0.57 -0.60 0.82 0.00 0.00 0.00 179.25 180.04 1l4s h ILE 15 N 0.10 1.34 -0.05 0.00 2.04 -1.42 0.17 117.51 119.70 1l4s h ILE 15 Ca -0.16 -2.12 -0.10 0.00 1.00 0.00 0.00 64.86 63.48 1l4s h ILE 15 Cb 1.75 2.17 0.01 0.00 -0.74 0.00 0.00 36.82 40.01 1l4s h ILE 15 CO 0.20 0.59 -0.36 -0.09 0.00 0.00 0.00 178.15 178.49 1l4s h ARG 16 N 0.00 0.33 -0.39 2.37 2.43 -1.00 -2.57 114.38 115.55 1l4s h ARG 16 Ca -0.01 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.76 1l4s h ARG 16 Cb 1.13 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1l4s h ARG 16 CO 0.08 0.95 -0.20 0.37 -1.51 0.00 0.00 179.97 179.66 1l4s h GLN 17 N -0.19 0.76 0.71 0.20 4.15 -0.87 0.43 115.11 120.30 1l4s h GLN 17 Ca -0.03 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.06 1l4s h GLN 17 Cb 1.04 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1l4s h GLN 17 CO 0.07 0.90 -0.37 1.25 -1.93 0.00 0.00 178.83 178.75 1l4s h HIS 18 N 0.67 -0.97 -0.33 3.99 2.76 -0.68 0.80 115.15 121.38 1l4s h HIS 18 Ca 0.10 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1l4s h HIS 18 Cb 0.70 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 1l4s h HIS 18 CO 0.04 -0.58 0.21 0.28 -1.30 0.00 0.00 177.93 176.57 1l4s h VAL 19 N -0.99 1.11 -0.67 5.26 2.07 -1.47 -2.61 116.25 118.95 1l4s h VAL 19 Ca -0.10 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1l4s h VAL 19 Cb 0.77 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1l4s h VAL 19 CO 0.14 0.11 0.38 0.00 0.02 0.00 0.00 177.57 178.21 1l4s h ALA 20 N 1.09 0.89 -0.36 1.67 0.00 -0.06 -1.16 119.26 121.34 1l4s h ALA 20 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1l4s h ALA 20 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1l4s h ALA 20 CO -0.02 0.07 0.24 0.38 0.00 0.00 0.00 179.25 179.92 1l4s h ASP 21 N 0.71 0.38 0.87 0.00 3.04 0.93 -0.95 116.42 121.40 1l4s h ASP 21 Ca 0.29 -0.01 -0.13 0.00 -3.24 0.00 0.00 57.03 53.95 1l4s h ASP 21 Cb 0.16 -0.09 -0.02 0.00 -1.04 0.00 0.00 39.33 38.34 1l4s h ASP 21 CO -0.17 0.27 -0.60 0.03 -2.04 0.00 0.00 179.24 176.73 1l4s h ARG 22 N 0.45 0.00 0.18 4.15 2.47 -0.88 -2.85 114.38 117.89 1l4s h ARG 22 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1l4s h ARG 22 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1l4s h ARG 22 CO -0.03 0.60 -0.08 -0.07 0.56 0.00 0.00 179.97 180.94 1l4s h LEU 23 N 0.00 -0.20 -2.40 3.04 3.38 -0.27 -1.85 115.31 117.01 1l4s h LEU 23 Ca -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1l4s h LEU 23 Cb 1.19 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1l4s h LEU 23 CO 0.08 0.18 -0.01 0.00 0.09 0.00 0.00 178.44 178.78 1l4s h ALA 24 N 0.11 1.52 0.00 1.53 0.00 -1.51 -0.90 119.26 120.02 1l4s h ALA 24 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1l4s h ALA 24 Cb 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1l4s h ALA 24 CO 0.04 0.02 -0.78 -0.22 0.00 0.00 0.00 179.25 178.30 1l4s h LYS 25 N 0.00 0.00 -3.13 0.00 3.11 -1.31 -3.36 116.57 111.88 1l4s h LYS 25 Ca -0.00 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.29 1l4s h LYS 25 Cb 0.03 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.29 1l4s h LYS 25 CO 0.00 0.78 3.28 1.28 -2.81 0.00 0.00 179.45 181.99 1l4s n LEU 26 N -3.36 7.25 0.03 5.20 4.77 -0.34 -4.54 117.00 126.01 1l4s n LEU 26 Ca 0.00 -3.78 -0.12 0.00 -0.03 0.00 0.00 56.01 52.08 1l4s n LEU 26 Cb 0.83 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.45 1l4s n LEU 26 CO 0.44 1.53 0.49 -0.08 -1.33 0.00 0.00 177.39 178.44 1l4s h GLU 27 N 5.43 -0.13 -0.47 3.23 4.22 -1.78 -1.89 114.58 123.19 1l4s h GLU 27 Ca 0.72 0.01 0.14 0.00 0.08 0.00 0.00 59.36 60.30 1l4s h GLU 27 Cb 0.27 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1l4s h GLU 27 CO 1.62 0.37 0.49 1.57 -2.18 0.00 0.00 179.01 180.87 1l4s h LYS 28 N -0.74 0.00 0.00 1.92 5.09 -1.96 0.42 116.57 121.30 1l4s h LYS 28 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.57 1l4s h LYS 28 Cb 0.56 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.86 1l4s h LYS 28 CO 0.02 0.00 -1.22 -1.49 -2.09 0.00 0.00 179.45 174.68 1l4s h TRP 29 N 0.00 0.00 -1.67 0.07 4.06 -1.90 -3.46 115.95 113.05 1l4s h TRP 29 Ca 0.22 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.54 1l4s h TRP 29 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1l4s h TRP 29 CO 0.00 0.56 1.29 0.94 -3.56 0.00 0.00 178.44 177.67 1l4s n GLN 30 N -2.96 1.71 0.00 0.49 0.00 0.15 -4.51 117.38 112.25 1l4s n GLN 30 Ca -0.07 0.55 0.00 0.00 -0.00 0.00 0.00 57.00 57.48 1l4s n GLN 30 Cb 0.82 -2.69 0.00 0.00 0.00 0.00 0.00 30.24 28.37 1l4s n GLN 30 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1l4s n THR 31 N 6.41 0.00 0.00 1.69 5.66 -1.26 -5.02 114.28 121.76 1l4s n THR 31 Ca 0.31 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1l4s n THR 31 Cb 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1l4s n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1l4s n HIS 32 N -1.47 0.00 -2.14 1.09 1.44 -1.26 -5.08 115.22 107.80 1l4s n HIS 32 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1l4s n HIS 32 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1l4s n HIS 32 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1l4s n LEU 33 N 0.00 -6.21 -3.88 2.39 4.32 -1.26 -4.99 117.00 107.37 1l4s n LEU 33 Ca 0.00 3.07 -0.30 0.00 -0.02 0.00 0.00 56.01 58.76 1l4s n LEU 33 Cb 0.00 -3.15 -0.15 0.00 -1.62 0.00 0.00 43.42 38.50 1l4s n LEU 33 CO 0.00 -2.15 -0.37 -0.63 -1.22 0.00 0.00 177.39 173.03 1l4s s ILE 34 N -0.54 1.41 -0.56 -0.08 1.01 0.12 -4.89 121.20 117.67 1l4s s ILE 34 Ca 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 1l4s s ILE 34 Cb 0.00 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1l4s s ILE 34 CO 0.00 -0.41 0.61 0.59 0.00 0.00 0.00 174.94 175.73 1l4s n ASN 35 N 4.66 -7.51 -4.82 3.58 4.13 -1.26 -4.38 115.26 109.65 1l4s n ASN 35 Ca -0.05 0.19 -0.32 0.00 1.68 0.00 0.00 54.58 56.08 1l4s n ASN 35 Cb 0.43 -5.09 -0.01 0.00 -1.54 0.00 0.00 39.78 33.58 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 -2.78 3.58 -0.03 3.52 0.04 -1.26 -4.68 135.00 133.38 1l4s s PRO 36 Ca 0.10 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.22 1l4s s PRO 36 Cb -0.03 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1l4s s PRO 36 CO 0.71 -0.59 -0.01 -1.58 0.04 0.00 0.00 177.00 175.57 1l4s s HIS 37 N -2.58 0.43 -0.06 0.56 2.46 -0.75 -2.52 115.29 112.82 1l4s s HIS 37 Ca 0.61 -0.06 0.05 0.00 0.47 0.00 0.00 55.06 56.14 1l4s s HIS 37 Cb -0.13 -0.47 -0.01 0.00 -0.13 0.00 0.00 32.58 31.84 1l4s s HIS 37 CO 0.36 -0.14 -0.23 0.42 -2.47 0.00 0.00 174.74 172.68 1l4s s ILE 38 N 0.96 1.90 0.06 0.89 1.09 0.23 -1.01 121.20 125.32 1l4s s ILE 38 Ca -0.11 -0.98 0.08 0.00 -1.10 0.00 0.00 60.65 58.55 1l4s s ILE 38 Cb -0.14 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.61 1l4s s ILE 38 CO -0.01 0.53 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.53 1l4s s ILE 39 N -0.05 2.67 -0.10 2.92 1.09 0.18 -0.50 121.20 127.42 1l4s s ILE 39 Ca -0.06 -1.30 0.03 0.00 -1.10 0.00 0.00 60.65 58.23 1l4s s ILE 39 Cb -0.14 -2.13 0.01 0.00 -1.06 0.00 0.00 42.46 39.13 1l4s s ILE 39 CO 0.04 0.29 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.21 1l4s s LEU 40 N -1.55 1.96 0.00 2.97 1.43 0.71 -0.53 118.68 123.66 1l4s s LEU 40 Ca 0.15 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1l4s s LEU 40 Cb -0.10 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1l4s s LEU 40 CO 0.06 0.10 0.02 -1.20 0.23 0.00 0.00 176.35 175.56 1l4s n SER 41 N 3.78 1.97 -3.63 2.29 7.64 0.15 -3.68 113.62 122.13 1l4s n SER 41 Ca -0.20 -1.82 -0.14 0.00 1.01 0.00 0.00 58.87 57.72 1l4s n SER 41 Cb 0.52 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 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 -2.64 0.81 0.12 1.43 2.20 -1.26 -2.30 119.74 118.10 1l4s s LYS 42 Ca 0.03 0.83 0.04 0.00 -0.36 0.00 0.00 55.97 56.52 1l4s s LYS 42 Cb 0.00 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 1l4s s LYS 42 CO 0.02 -0.12 -0.11 -1.21 -0.36 0.00 0.00 175.35 173.57 1l4s s GLU 43 N 0.15 0.94 0.61 4.03 2.02 0.26 -4.93 118.70 121.78 1l4s s GLU 43 Ca -0.01 -1.25 0.28 0.00 0.02 0.00 0.00 54.97 54.01 1l4s s GLU 43 Cb -0.04 -0.64 1.45 0.00 0.10 0.00 0.00 34.13 35.00 1l4s s GLU 43 CO 0.02 0.10 1.85 -1.35 0.02 0.00 0.00 175.26 175.90 1l4s h PRO 44 N 3.35 0.00 -0.00 0.39 0.11 -2.03 0.51 132.00 134.33 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1l4s h PRO 44 CO 0.55 0.00 -0.33 0.94 -0.21 0.00 0.00 178.00 178.95 1l4s n GLN 45 N -3.48 0.52 -1.94 1.05 7.27 -1.26 -5.05 117.38 114.50 1l4s n GLN 45 Ca 0.06 -0.30 0.00 0.00 0.07 0.00 0.00 57.00 56.84 1l4s n GLN 45 Cb 0.65 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.81 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 1.40 0.09 3.72 1.69 0.00 0.18 -4.62 105.19 107.65 1l4s n GLY 46 Ca 0.10 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.79 3.01 0.01 1.61 0.40 -0.89 0.90 117.98 120.23 1l4s s PHE 47 Ca 0.00 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1l4s s PHE 47 Cb 0.00 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1l4s s PHE 47 CO 0.00 0.51 -0.17 0.08 0.70 0.00 0.00 175.22 176.34 1l4s s VAL 48 N -1.55 1.31 -0.07 -0.44 1.01 -0.97 -2.81 120.40 116.87 1l4s s VAL 48 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1l4s s VAL 48 Cb -0.11 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1l4s s VAL 48 CO 0.20 0.26 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 1l4s s ALA 49 N -0.55 0.95 0.11 5.51 0.00 -0.06 0.31 121.76 128.03 1l4s s ALA 49 Ca 0.06 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.85 1l4s s ALA 49 Cb -0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1l4s s ALA 49 CO 0.00 -0.20 -0.21 -0.51 0.00 0.00 0.00 175.76 174.83 1l4s s ASP 50 N 1.33 3.66 -0.06 0.00 1.11 0.31 0.02 116.67 123.03 1l4s s ASP 50 Ca -0.04 -0.62 -0.08 0.00 0.18 0.00 0.00 52.55 52.00 1l4s s ASP 50 Cb -0.14 -0.43 0.02 0.00 1.07 0.00 0.00 42.92 43.45 1l4s s ASP 50 CO -0.03 0.19 0.21 0.00 1.18 0.00 0.00 175.17 176.72 1l4s s ALA 51 N -1.09 -0.52 -0.03 5.23 0.00 0.19 0.51 121.76 126.06 1l4s s ALA 51 Ca 0.16 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1l4s s ALA 51 Cb -0.10 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1l4s s ALA 51 CO 0.08 -0.13 -0.06 0.99 0.00 0.00 0.00 175.76 176.65 1l4s s THR 52 N -0.19 0.56 -0.04 0.00 2.01 -0.18 -2.02 115.64 115.77 1l4s s THR 52 Ca -0.03 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1l4s s THR 52 Cb -0.03 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.96 1l4s s THR 52 CO 0.01 0.20 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.43 1l4s s ILE 53 N 0.45 0.74 -0.18 1.82 -1.09 -0.97 -1.81 121.20 120.16 1l4s s ILE 53 Ca -0.06 -0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 57.99 1l4s s ILE 53 Cb -0.10 -0.69 -0.04 0.00 -1.58 0.00 0.00 42.46 40.05 1l4s s ILE 53 CO 0.00 0.25 0.08 0.20 -1.23 0.00 0.00 174.94 174.24 1l4s s ASN 54 N 0.46 5.76 0.26 3.58 0.01 -1.26 -1.67 114.94 122.08 1l4s s ASN 54 Ca -0.07 0.13 0.05 0.00 -0.71 0.00 0.00 52.86 52.26 1l4s s ASN 54 Cb -0.11 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 1l4s s ASN 54 CO 0.01 0.20 -0.02 0.42 -1.51 0.00 0.00 177.10 176.20 1l4s s THR 55 N 0.24 1.30 -1.10 1.60 -4.23 0.67 0.10 115.64 114.22 1l4s s THR 55 Ca 0.05 -2.06 0.14 0.00 -1.18 0.00 0.00 61.69 58.64 1l4s s THR 55 Cb -0.12 -2.44 0.15 0.00 1.34 0.00 0.00 72.50 71.44 1l4s s THR 55 CO -0.00 -0.28 1.45 -2.65 -0.54 0.00 0.00 174.62 172.60 1l4s n PRO 56 N -0.51 0.05 -0.31 3.99 -0.02 -1.26 -2.57 135.00 134.37 1l4s n PRO 56 Ca -0.05 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.73 1l4s n PRO 56 Cb 0.64 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.45 1.88 0.00 2.55 3.02 -1.26 -5.10 115.26 114.89 1l4s n ASN 57 Ca 0.04 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 1l4s n ASN 57 Cb 0.16 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.12 0.74 2.98 7.41 0.00 -1.06 -5.10 105.19 109.05 1l4s n GLY 58 Ca 0.15 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.44 0.41 0.20 1.61 1.01 -1.26 -0.24 120.40 120.69 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 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1l4s s VAL 59 CO 0.00 -0.07 -0.11 -0.76 0.00 0.00 0.00 175.10 174.16 1l4s s LEU 60 N -0.62 2.89 0.02 3.92 1.43 -0.67 -5.01 118.68 120.64 1l4s s LEU 60 Ca -0.03 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1l4s s LEU 60 Cb -0.05 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1l4s s LEU 60 CO -0.00 0.08 -0.02 -0.69 0.23 0.00 0.00 176.35 175.96 1l4s s VAL 61 N -1.87 0.09 -0.08 -1.59 1.01 -1.26 -2.29 120.40 114.41 1l4s s VAL 61 Ca 0.26 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1l4s s VAL 61 Cb -0.08 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.13 1l4s s VAL 61 CO 0.15 -0.40 0.47 0.00 0.00 0.00 0.00 175.10 175.32 1l4s s ALA 62 N -1.17 -1.19 0.05 5.51 0.00 -0.86 -4.87 121.76 119.23 1l4s s ALA 62 Ca -0.13 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1l4s s ALA 62 Cb -0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1l4s s ALA 62 CO -0.01 -0.28 0.17 -1.12 0.00 0.00 0.00 175.76 174.53 1l4s s SER 63 N -0.74 0.08 0.04 0.00 0.01 -1.26 -0.64 113.70 111.19 1l4s s SER 63 Ca -0.08 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 1l4s s SER 63 Cb -0.03 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 1l4s s SER 63 CO 0.05 -0.58 0.07 -0.83 0.41 0.00 0.00 173.24 172.35 1l4s s GLY 64 N -2.23 0.21 -0.31 3.44 0.00 0.10 -4.56 107.32 103.98 1l4s s GLY 64 Ca -0.03 -0.61 0.18 0.00 0.00 0.00 0.00 44.72 44.26 1l4s s GLY 64 CO -0.05 -0.73 1.23 0.28 0.00 0.00 0.00 173.10 173.82 1l4s n LYS 65 N 0.85 1.47 -2.12 2.90 5.02 -1.26 -0.88 118.16 124.13 1l4s n LYS 65 Ca -0.19 -2.66 -0.32 0.00 -2.02 0.00 0.00 58.31 53.11 1l4s n LYS 65 Cb 0.58 -0.82 -0.00 0.00 -0.02 0.00 0.00 35.03 34.77 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 -2.18 3.14 0.55 2.13 2.46 -1.12 -4.70 115.29 115.56 1l4s s HIS 66 Ca 0.22 1.49 0.27 0.00 0.47 0.00 0.00 55.06 57.50 1l4s s HIS 66 Cb 0.39 -2.93 1.64 0.00 -0.13 0.00 0.00 32.58 31.55 1l4s s HIS 66 CO -0.06 -0.89 2.20 0.93 -2.47 0.00 0.00 174.74 174.45 1l4s h GLU 67 N 0.51 0.00 -5.06 2.88 5.08 -1.82 -2.37 114.58 113.81 1l4s h GLU 67 Ca -0.47 0.00 -0.63 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 0.03 -0.42 0.34 -1.00 0.00 0.00 179.01 178.54 1l4s s ASP 68 N -6.34 6.14 0.21 1.42 2.15 -1.26 -3.96 116.67 115.03 1l4s s ASP 68 Ca -0.05 0.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.95 1l4s s ASP 68 Cb 0.15 -2.15 0.26 0.00 -0.30 0.00 0.00 42.92 40.89 1l4s s ASP 68 CO 0.58 -0.05 1.64 -0.03 -0.17 0.00 0.00 175.17 177.14 1l4s h MET 69 N 7.99 0.05 -0.49 4.34 1.85 -1.89 0.37 114.93 127.14 1l4s h MET 69 Ca -0.35 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.65 1l4s h MET 69 Cb 1.18 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.17 1l4s h MET 69 CO 0.62 0.03 -0.03 1.88 -0.40 0.00 0.00 176.91 179.01 1l4s h TYR 70 N 0.05 0.91 -0.67 1.39 -1.99 -1.95 -2.55 116.97 112.16 1l4s h TYR 70 Ca 0.31 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 1l4s h TYR 70 Cb 0.49 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.95 1l4s h TYR 70 CO -0.44 0.85 0.14 1.15 -0.00 0.00 0.00 178.16 179.85 1l4s h THR 71 N 0.78 1.26 -0.15 -2.88 2.02 -1.48 -1.16 112.91 111.29 1l4s h THR 71 Ca 0.14 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1l4s h THR 71 Cb 0.51 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1l4s h THR 71 CO 0.03 0.38 0.08 0.00 0.37 0.00 0.00 175.52 176.37 1l4s h ALA 72 N 1.06 0.20 -0.68 6.16 0.00 -0.79 0.43 119.26 125.63 1l4s h ALA 72 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1l4s h ALA 72 Cb 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1l4s h ALA 72 CO 0.01 -0.26 0.43 0.82 0.00 0.00 0.00 179.25 180.25 1l4s h ILE 73 N 0.14 1.19 -0.66 0.00 2.04 -1.32 0.30 117.51 119.20 1l4s h ILE 73 Ca 0.05 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1l4s h ILE 73 Cb 0.08 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1l4s h ILE 73 CO -0.01 0.19 0.09 0.78 0.00 0.00 0.00 178.15 179.21 1l4s h ASN 74 N 0.93 1.04 -0.26 1.72 -0.26 -0.91 -2.53 115.58 115.31 1l4s h ASN 74 Ca 0.25 -0.25 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1l4s h ASN 74 Cb -0.06 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 36.91 1l4s h ASN 74 CO -0.05 1.04 -0.02 -0.33 -1.06 0.00 0.00 177.43 177.01 1l4s h GLU 75 N 1.02 0.47 0.32 0.81 4.39 0.51 -1.74 114.58 120.35 1l4s h GLU 75 Ca 0.20 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1l4s h GLU 75 Cb 0.45 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1l4s h GLU 75 CO 0.01 0.66 -0.47 1.25 -1.16 0.00 0.00 179.01 179.30 1l4s h LEU 76 N 0.24 -1.33 -2.06 1.33 6.46 -0.30 0.02 115.31 119.67 1l4s h LEU 76 Ca 0.07 0.12 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 1l4s h LEU 76 Cb 0.46 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1l4s h LEU 76 CO 0.02 -0.56 0.32 0.40 -0.62 0.00 0.00 178.44 177.99 1l4s h ILE 77 N -0.82 0.63 -0.83 4.05 2.04 -1.49 0.44 117.51 121.53 1l4s h ILE 77 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1l4s h ILE 77 Cb 0.75 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1l4s h ILE 77 CO -0.14 0.00 0.55 -1.13 0.00 0.00 0.00 178.15 177.43 1l4s h ASN 78 N 0.00 0.89 0.64 1.72 -1.24 -0.07 0.51 115.58 118.04 1l4s h ASN 78 Ca 0.18 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.04 1l4s h ASN 78 Cb 0.81 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 1l4s h ASN 78 CO -0.00 0.62 -0.66 0.11 -1.29 0.00 0.00 177.43 176.20 1l4s h LYS 79 N 1.04 0.02 -0.11 6.67 6.56 0.66 0.12 116.57 131.53 1l4s h LYS 79 Ca 0.33 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.89 1l4s h LYS 79 Cb 0.01 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1l4s h LYS 79 CO -0.09 0.68 0.04 -0.07 -2.06 0.00 0.00 179.45 177.95 1l4s h LEU 80 N 0.01 0.15 -0.05 2.94 3.38 -0.33 0.50 115.31 121.92 1l4s h LEU 80 Ca -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1l4s h LEU 80 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1l4s h LEU 80 CO 0.09 0.28 0.03 -0.08 0.09 0.00 0.00 178.44 178.84 1l4s h GLU 81 N 0.02 0.07 0.00 1.13 4.81 -0.91 -0.92 114.58 118.78 1l4s h GLU 81 Ca 0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1l4s h GLU 81 Cb 0.17 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1l4s h GLU 81 CO -0.00 0.13 -0.11 0.00 -0.73 0.00 0.00 179.01 178.30 1l4s h ARG 82 N -0.01 0.00 -0.02 1.92 3.08 -0.57 -2.07 114.38 116.71 1l4s h ARG 82 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1l4s h ARG 82 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.14 1l4s h ARG 82 CO -0.00 0.11 -0.55 1.96 -1.07 0.00 0.00 179.97 180.42 1l4s h GLN 83 N 0.00 0.40 0.00 0.04 4.20 0.51 -3.19 115.11 117.08 1l4s h GLN 83 Ca -0.00 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1l4s h GLN 83 Cb 0.24 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1l4s h GLN 83 CO 0.01 1.07 -0.14 -0.07 -0.67 0.00 0.00 178.83 179.04 1l4s h LEU 84 N -0.11 0.00 -0.67 1.46 3.38 -0.82 -2.27 115.31 116.28 1l4s h LEU 84 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1l4s h LEU 84 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1l4s h LEU 84 CO 0.11 0.14 0.24 -1.13 0.09 0.00 0.00 178.44 177.88 1l4s h ASN 85 N 0.00 0.94 1.35 -0.43 -1.24 -1.37 -2.12 115.58 112.71 1l4s h ASN 85 Ca -0.00 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1l4s h ASN 85 Cb 0.31 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1l4s h ASN 85 CO 0.02 0.88 0.00 0.11 -1.29 0.00 0.00 177.43 177.15 1l4s h LYS 86 N 0.95 0.00 -0.45 6.67 1.79 -1.44 -3.06 116.57 121.04 1l4s h LYS 86 Ca 0.22 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.56 1l4s h LYS 86 Cb 0.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1l4s h LYS 86 CO -0.01 0.00 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.07 1l4s h LEU 87 N 0.00 0.93 -0.23 2.94 3.38 -1.12 -2.73 115.31 118.48 1l4s h LEU 87 Ca 0.00 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1l4s h LEU 87 Cb 0.67 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1l4s h LEU 87 CO 0.00 1.10 -0.10 1.56 0.09 0.00 0.00 178.44 181.09 1l4s h GLN 88 N 0.79 0.00 0.00 1.13 4.20 -1.46 -3.49 115.11 116.27 1l4s h GLN 88 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1l4s h GLN 88 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1l4s h GLN 88 CO 0.06 0.10 0.00 0.72 -0.67 0.00 0.00 178.83 179.04 1l4s n HIS 89 N -3.14 -1.03 0.00 2.96 8.25 -1.03 -4.95 115.22 116.28 1l4s n HIS 89 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1l4s n HIS 89 Cb 0.53 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.82 1l4s n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1l4s n LYS 90 N -0.40 0.00 -0.41 -0.41 0.00 -1.26 -4.97 118.16 110.71 1l4s n LYS 90 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.37 1l4s n LYS 90 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1l4s n GLY 91 N -1.12 -1.80 0.04 3.14 0.00 -1.26 -4.70 105.19 99.49 1l4s n GLY 91 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.93 1.71 -1.51 1.61 1.02 -1.26 -5.12 120.64 115.16 1l4s n GLU 92 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1l4s n GLU 92 Cb 0.19 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1l4s n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l4s n ALA 93 N -2.28 -2.28 -3.64 0.62 0.00 -1.26 -5.07 120.51 106.60 1l4s n ALA 93 Ca -0.14 0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.60 1l4s n ALA 93 Cb 0.72 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 1l4s n ALA 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1l4s s ARG 94 N -2.04 0.39 0.00 0.00 3.52 -1.26 -5.09 118.95 114.47 1l4s s ARG 94 Ca 0.00 1.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 1l4s s ARG 94 Cb 0.00 0.45 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1l4s s ARG 94 CO 0.00 -0.26 0.00 0.54 -0.81 0.00 0.00 175.30 174.77 1l4s n ARG 95 N 5.41 0.00 -1.71 5.12 5.12 -1.26 -5.13 116.66 124.21 1l4s n ARG 95 Ca -0.09 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1l4s n ARG 95 Cb 0.49 -0.34 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 1l4s n ARG 95 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l4s n ALA 96 N -0.96 0.00 -0.04 7.54 0.00 -1.26 -5.01 120.51 120.77 1l4s n ALA 96 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1l4s n ALA 96 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1l4s n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l4s n ALA 97 N -3.00 1.45 0.03 0.00 0.00 -1.26 -4.84 120.51 112.89 1l4s n ALA 97 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1l4s n ALA 97 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1l4s n ALA 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1l4s n THR 98 N -3.00 0.43 0.00 0.00 -1.04 -1.26 -5.09 114.28 104.32 1l4s n THR 98 Ca -0.23 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1l4s n THR 98 Cb 1.08 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1l4s n THR 98 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1l4s n SER 99 N -2.96 0.00 -0.31 8.00 2.88 -1.26 -5.17 113.62 114.80 1l4s n SER 99 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1l4s n SER 99 Cb 0.00 0.03 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1l4s n SER 99 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1l4s n VAL 100 N -1.21 0.00 -3.18 2.46 0.24 -1.26 -4.91 118.33 110.47 1l4s n VAL 100 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1l4s n VAL 100 Cb 0.00 -0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 1l4s n VAL 100 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1l4s s LYS 101 N -0.32 0.08 -0.16 7.34 -0.14 -1.26 -5.16 119.74 120.12 1l4s s LYS 101 Ca 0.00 0.16 -0.06 0.00 -1.36 0.00 0.00 55.97 54.71 1l4s s LYS 101 Cb 0.00 0.09 0.07 0.00 -1.68 0.00 0.00 37.83 36.32 1l4s s LYS 101 CO 0.00 -0.06 0.34 -0.51 -0.76 0.00 0.00 175.35 174.36 1l4s s ASP 102 N 2.59 -0.03 -0.30 2.83 1.01 -1.26 -5.14 116.67 116.37 1l4s s ASP 102 Ca -0.04 0.77 -0.18 0.00 0.71 0.00 0.00 52.55 53.81 1l4s s ASP 102 Cb -0.06 0.92 0.19 0.00 1.01 0.00 0.00 42.92 44.98 1l4s s ASP 102 CO -0.12 -0.22 1.20 0.00 0.21 0.00 0.00 175.17 176.24 1l4s s ALA 103 N 2.26 -2.47 -0.01 5.23 0.00 -1.26 -5.18 121.76 120.33 1l4s s ALA 103 Ca -0.02 1.99 -0.02 0.00 0.00 0.00 0.00 51.96 53.91 1l4s s ALA 103 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 1l4s s ALA 103 CO -0.11 -0.29 0.05 -0.80 0.00 0.00 0.00 175.76 174.62 1l4s s ASN 104 N 0.93 0.01 -0.10 0.00 0.02 -1.26 -5.04 114.94 109.49 1l4s s ASN 104 Ca -0.06 -0.05 0.09 0.00 -1.02 0.00 0.00 52.86 51.83 1l4s s ASN 104 Cb -0.03 0.12 -0.13 0.00 0.02 0.00 0.00 41.25 41.23 1l4s s ASN 104 CO -0.12 -0.12 0.04 0.49 0.02 0.00 0.00 177.10 177.42 1l4s n PHE 105 N 2.58 0.00 0.04 2.20 3.72 -1.26 -4.41 117.46 120.33 1l4s n PHE 105 Ca -0.16 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.38 1l4s n PHE 105 Cb 0.58 -0.51 0.60 0.00 -0.94 0.00 0.00 39.48 39.21 1l4s n PHE 105 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 1l4s h VAL 106 N 0.00 0.87 -2.21 -4.37 -1.51 -2.08 -3.33 116.25 103.62 1l4s h VAL 106 Ca -0.28 -0.05 -0.48 0.00 -1.23 0.00 0.00 66.70 64.66 1l4s h VAL 106 Cb 1.62 0.70 -0.35 0.00 -2.13 0.00 0.00 31.29 31.13 1l4s h VAL 106 CO 0.02 0.03 -0.80 -0.70 -1.23 0.00 0.00 177.57 174.89 1l4s s GLU 107 N -5.17 0.68 -0.13 5.19 -6.30 -1.26 -4.93 118.70 106.77 1l4s s GLU 107 Ca -0.06 -1.30 0.05 0.00 -2.50 0.00 0.00 54.97 51.16 1l4s s GLU 107 Cb 0.19 -1.04 0.16 0.00 0.00 0.00 0.00 34.13 33.44 1l4s s GLU 107 CO 0.72 -1.25 0.98 -1.91 0.02 0.00 0.00 175.26 173.83 1l4s n GLU 108 N 3.81 0.52 0.00 4.30 0.00 -1.25 -4.88 120.64 123.14 1l4s n GLU 108 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 57.16 56.55 1l4s n GLU 108 Cb 0.43 0.38 0.00 0.00 0.00 0.00 0.00 31.44 32.26 1l4s n GLU 108 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1l4s n VAL 109 N -0.60 0.00 0.41 6.31 0.24 -1.26 -4.72 118.33 118.71 1l4s n VAL 109 Ca -0.15 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.96 1l4s n VAL 109 Cb 0.67 -0.08 -0.09 0.00 -1.47 0.00 0.00 33.84 32.87 1l4s n VAL 109 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1l4s h GLU 110 N 0.00 -1.02 0.03 7.34 4.81 -1.94 -3.29 114.58 120.51 1l4s h GLU 110 Ca 0.00 0.07 -0.31 0.00 -0.13 0.00 0.00 59.36 58.99 1l4s h GLU 110 Cb 0.00 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1l4s h GLU 110 CO 0.00 -0.68 -1.82 -1.91 -0.73 0.00 0.00 179.01 173.86 1l4s n GLU 111 N -5.55 0.66 0.00 1.92 2.13 -1.26 -5.25 120.64 113.29 1l4s n GLU 111 Ca -0.14 0.27 0.13 0.00 0.66 0.00 0.00 57.16 58.07 1l4s n GLU 111 Cb 0.43 -1.76 0.74 0.00 0.27 0.00 0.00 31.44 31.13 1l4s n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81