#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj1 n ASP 2 N 0.00 1.09 -3.51 0.00 8.00 -1.26 -4.98 116.55 115.89 1lj1 n ASP 2 Ca 0.00 -0.88 -0.09 0.00 0.71 0.00 0.00 54.79 54.53 1lj1 n ASP 2 Cb 0.00 0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1lj1 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1lj1 s ASN 3 N -2.79 -0.39 0.32 -2.24 2.20 -1.26 -4.71 114.94 106.07 1lj1 s ASN 3 Ca 0.14 -0.04 0.00 0.00 -0.94 0.00 0.00 52.86 52.03 1lj1 s ASN 3 Cb 0.18 0.44 0.52 0.00 -2.00 0.00 0.00 41.25 40.38 1lj1 s ASN 3 CO 0.69 -0.72 1.94 0.25 -2.94 0.00 0.00 177.10 176.32 1lj1 h LEU 4 N 2.00 0.80 -0.24 3.54 5.85 -1.74 -2.55 115.31 122.97 1lj1 h LEU 4 Ca -0.25 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1lj1 h LEU 4 Cb 1.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1lj1 h LEU 4 CO 0.32 0.64 -0.11 0.00 -0.34 0.00 0.00 178.44 178.94 1lj1 h ALA 5 N 1.49 0.33 -0.38 1.25 0.00 -1.30 -2.65 119.26 118.01 1lj1 h ALA 5 Ca 0.23 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1lj1 h ALA 5 Cb 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1lj1 h ALA 5 CO -0.04 0.18 0.10 1.49 0.00 0.00 0.00 179.25 180.98 1lj1 h GLU 6 N 0.21 0.22 -0.10 0.00 4.81 -1.79 -0.51 114.58 117.42 1lj1 h GLU 6 Ca 0.05 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1lj1 h GLU 6 Cb 0.61 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1lj1 h GLU 6 CO 0.03 0.15 -0.37 0.35 -0.73 0.00 0.00 179.01 178.44 1lj1 h PHE 7 N 0.23 -1.04 -0.16 0.92 3.04 -1.38 -3.00 116.94 115.55 1lj1 h PHE 7 Ca 0.18 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 1lj1 h PHE 7 Cb 0.19 0.47 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1lj1 h PHE 7 CO -0.18 -0.44 -0.29 0.45 -2.02 0.00 0.00 178.31 175.83 1lj1 h HIS 8 N -0.46 0.34 0.00 0.41 3.86 -1.02 -3.02 115.15 115.26 1lj1 h HIS 8 Ca 0.08 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1lj1 h HIS 8 Cb 0.59 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1lj1 h HIS 8 CO -0.43 0.57 0.00 1.33 0.86 0.00 0.00 177.93 180.26 1lj1 n VAL 9 N -4.12 0.61 -0.19 2.45 0.24 -0.26 -1.68 118.33 115.37 1lj1 n VAL 9 Ca -0.01 0.13 0.17 0.00 -2.04 0.00 0.00 64.34 62.59 1lj1 n VAL 9 Cb 0.40 -0.81 0.51 0.00 -1.47 0.00 0.00 33.84 32.47 1lj1 n VAL 9 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1lj1 h GLN 10 N 0.00 0.39 0.00 7.34 4.20 -1.45 -3.08 115.11 122.51 1lj1 h GLN 10 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1lj1 h GLN 10 Cb 0.38 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1lj1 h GLN 10 CO 0.00 0.26 -0.21 0.09 -0.67 0.00 0.00 178.83 178.30 1lj1 n ASN 11 N -4.48 1.17 -3.79 1.46 3.02 -0.81 -5.12 115.26 106.72 1lj1 n ASN 11 Ca 0.16 -2.39 -0.11 0.00 -0.03 0.00 0.00 54.58 52.21 1lj1 n ASN 11 Cb 0.60 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.43 1lj1 n ASN 11 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1lj1 s GLN 12 N -1.32 0.82 0.63 3.52 -0.21 -0.68 -5.13 119.66 117.29 1lj1 s GLN 12 Ca 0.14 -0.65 -0.05 0.00 0.02 0.00 0.00 55.36 54.82 1lj1 s GLN 12 Cb 0.12 0.35 0.03 0.00 1.00 0.00 0.00 33.01 34.51 1lj1 s GLN 12 CO 0.01 -0.26 0.93 -1.21 -2.12 0.00 0.00 175.29 172.64 1lj1 s GLU 13 N -2.96 2.55 0.36 2.91 0.41 -1.26 -4.45 118.70 116.26 1lj1 s GLU 13 Ca -0.02 -0.23 0.03 0.00 -0.41 0.00 0.00 54.97 54.34 1lj1 s GLU 13 Cb 0.01 -2.26 0.67 0.00 -1.78 0.00 0.00 34.13 30.76 1lj1 s GLU 13 CO -0.06 -0.93 2.00 0.00 -0.49 0.00 0.00 175.26 175.79 1lj1 n ASP 15 N -4.45 0.00 0.16 0.00 3.85 -1.26 -2.05 116.55 112.80 1lj1 n ASP 15 Ca 0.07 -0.83 0.02 0.00 -0.71 0.00 0.00 54.79 53.34 1lj1 n ASP 15 Cb 0.08 0.00 0.37 0.00 -1.35 0.00 0.00 41.12 40.22 1lj1 n ASP 15 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1lj1 h SER 16 N 0.00 0.09 0.00 -1.12 4.64 -1.78 -3.34 113.55 112.04 1lj1 h SER 16 Ca 0.00 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 1lj1 h SER 16 Cb 0.00 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1lj1 h SER 16 CO 0.00 0.38 -1.77 0.00 -0.87 0.00 0.00 176.83 174.57 1lj1 s HIS 18 N -2.27 3.53 0.97 0.00 3.76 -0.87 -4.33 115.29 116.07 1lj1 s HIS 18 Ca -0.11 0.58 -0.12 0.00 -0.15 0.00 0.00 55.06 55.26 1lj1 s HIS 18 Cb 0.04 -2.10 0.17 0.00 1.11 0.00 0.00 32.58 31.80 1lj1 s HIS 18 CO 0.40 -0.08 1.09 0.95 -0.85 0.00 0.00 174.74 176.24 1lj1 s THR 19 N -2.53 2.35 0.36 1.30 -4.23 -1.26 -4.58 115.64 107.04 1lj1 s THR 19 Ca 0.44 0.11 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1lj1 s THR 19 Cb -0.10 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.53 1lj1 s THR 19 CO 0.40 -0.15 1.87 -0.65 -0.54 0.00 0.00 174.62 175.56 1lj1 h PRO 20 N -1.81 0.66 0.00 3.99 0.11 -1.94 -0.84 132.00 132.17 1lj1 h PRO 20 Ca -0.52 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1lj1 h PRO 20 Cb 1.31 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1lj1 h PRO 20 CO 0.55 0.44 -0.56 -0.40 -0.21 0.00 0.00 178.00 177.82 1lj1 n ASP 21 N -4.56 0.54 0.00 -2.05 5.68 -1.26 -4.96 116.55 109.94 1lj1 n ASP 21 Ca 0.17 -0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1lj1 n ASP 21 Cb 0.48 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 1lj1 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lj1 n GLY 22 N 1.48 2.19 3.77 6.12 0.00 -0.32 -5.04 105.19 113.39 1lj1 n GLY 22 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1lj1 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lj1 s GLU 23 N -0.49 3.81 0.26 1.61 0.41 -1.26 -4.77 118.70 118.27 1lj1 s GLU 23 Ca 0.00 1.80 -0.30 0.00 -0.41 0.00 0.00 54.97 56.05 1lj1 s GLU 23 Cb 0.00 -2.46 -0.10 0.00 -1.78 0.00 0.00 34.13 29.79 1lj1 s GLU 23 CO 0.00 -0.52 1.48 -0.51 -0.49 0.00 0.00 175.26 175.23 1lj1 s LEU 24 N -2.93 4.37 0.16 1.80 1.43 -1.26 -4.58 118.68 117.68 1lj1 s LEU 24 Ca 0.62 2.73 -0.17 0.00 -1.03 0.00 0.00 54.13 56.29 1lj1 s LEU 24 Cb -0.29 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.39 1lj1 s LEU 24 CO 0.36 -0.76 1.69 0.77 0.23 0.00 0.00 176.35 178.64 1lj1 h SER 25 N 5.08 -0.23 -1.34 2.29 4.64 -1.95 -3.48 113.55 118.55 1lj1 h SER 25 Ca -0.46 0.10 0.07 0.00 -0.47 0.00 0.00 61.79 61.02 1lj1 h SER 25 Cb 1.22 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1lj1 h SER 25 CO 0.79 -0.08 0.24 -0.46 -0.87 0.00 0.00 176.83 176.46 1lj1 n ASN 26 N -5.23 -0.68 0.05 4.97 0.23 -1.26 -4.98 115.26 108.36 1lj1 n ASN 26 Ca 0.02 -1.35 0.12 0.00 -0.53 0.00 0.00 54.58 52.84 1lj1 n ASN 26 Cb 0.20 1.11 0.48 0.00 -2.08 0.00 0.00 39.78 39.49 1lj1 n ASN 26 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1lj1 n ASP 27 N -0.85 0.37 -0.07 0.53 9.92 -1.26 -1.73 116.55 123.46 1lj1 n ASP 27 Ca -0.01 0.55 0.13 0.00 -0.53 0.00 0.00 54.79 54.94 1lj1 n ASP 27 Cb 0.23 -0.64 0.44 0.00 -0.64 0.00 0.00 41.12 40.51 1lj1 n ASP 27 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1lj1 n SER 28 N -1.86 0.48 -3.72 -2.24 7.64 -1.25 -4.43 113.62 108.23 1lj1 n SER 28 Ca 0.05 -0.29 -0.22 0.00 1.01 0.00 0.00 58.87 59.42 1lj1 n SER 28 Cb 0.32 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1lj1 n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lj1 n LEU 29 N -1.22 -3.04 0.18 -3.43 4.77 -0.71 -4.90 117.00 108.65 1lj1 n LEU 29 Ca 0.09 -0.82 -0.14 0.00 -0.03 0.00 0.00 56.01 55.11 1lj1 n LEU 29 Cb 0.32 -2.64 -0.08 0.00 -2.33 0.00 0.00 43.42 38.69 1lj1 n LEU 29 CO 0.29 0.41 0.68 0.74 -1.33 0.00 0.00 177.39 178.19 1lj1 h THR 30 N -1.88 0.72 -0.42 -5.08 2.02 -1.93 -1.77 112.91 104.57 1lj1 h THR 30 Ca -0.61 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1lj1 h THR 30 Cb 1.36 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1lj1 h THR 30 CO 0.57 0.05 0.15 0.22 0.37 0.00 0.00 175.52 176.89 1lj1 h TYR 31 N -0.55 0.65 -0.37 3.16 3.20 -1.95 -2.26 116.97 118.85 1lj1 h TYR 31 Ca -0.04 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 1lj1 h TYR 31 Cb 0.41 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1lj1 h TYR 31 CO -0.02 0.58 0.22 0.93 -1.64 0.00 0.00 178.16 178.23 1lj1 h GLU 32 N 0.53 0.50 -0.35 1.82 3.07 -1.74 -2.22 114.58 116.19 1lj1 h GLU 32 Ca 0.14 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1lj1 h GLU 32 Cb 0.22 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1lj1 h GLU 32 CO -0.01 0.38 -0.06 -0.91 -1.40 0.00 0.00 179.01 177.01 1lj1 h ASN 33 N 0.48 0.55 -0.96 1.42 2.35 -1.28 -1.66 115.58 116.48 1lj1 h ASN 33 Ca 0.13 -0.13 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1lj1 h ASN 33 Cb 0.01 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 1lj1 h ASN 33 CO -0.02 0.66 0.63 0.74 -1.65 0.00 0.00 177.43 177.78 1lj1 h THR 34 N 0.54 1.11 -0.28 2.81 2.02 -1.15 -0.82 112.91 117.13 1lj1 h THR 34 Ca 0.11 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1lj1 h THR 34 Cb 0.44 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1lj1 h THR 34 CO 0.02 0.21 0.01 1.56 0.37 0.00 0.00 175.52 177.69 1lj1 h GLN 35 N 1.15 0.48 -0.73 6.66 1.08 -0.70 0.19 115.11 123.25 1lj1 h GLN 35 Ca 0.40 -0.15 0.14 0.00 -1.45 0.00 0.00 58.65 57.60 1lj1 h GLN 35 Cb 0.12 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.41 1lj1 h GLN 35 CO -0.15 0.63 0.25 0.00 -0.95 0.00 0.00 178.83 178.61 1lj1 h VAL 37 N 0.37 1.27 -0.40 0.00 2.07 -0.85 -0.33 116.25 118.38 1lj1 h VAL 37 Ca 0.40 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1lj1 h VAL 37 Cb 0.63 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1lj1 h VAL 37 CO -0.43 0.47 0.26 0.77 0.02 0.00 0.00 177.57 178.65 1lj1 h SER 38 N 0.80 0.46 0.12 0.57 4.64 0.31 0.11 113.55 120.57 1lj1 h SER 38 Ca 0.11 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 61.05 1lj1 h SER 38 Cb 0.77 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1lj1 h SER 38 CO 0.06 0.34 -2.04 0.00 -0.87 0.00 0.00 176.83 174.33 1lj1 n HIS 40 N -3.46 0.08 0.00 0.00 8.25 -0.15 -5.09 115.22 114.85 1lj1 n HIS 40 Ca -0.33 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1lj1 n HIS 40 Cb 1.04 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1lj1 n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lj1 n GLY 41 N 1.47 0.15 3.54 -1.41 0.00 0.38 -4.39 105.19 104.92 1lj1 n GLY 41 Ca 0.04 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1lj1 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lj1 s THR 42 N -1.61 1.61 0.23 2.61 -4.23 -1.26 -4.42 115.64 108.57 1lj1 s THR 42 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 1lj1 s THR 42 Cb 0.00 -2.37 0.20 0.00 1.34 0.00 0.00 72.50 71.67 1lj1 s THR 42 CO 0.00 0.00 1.90 0.25 -0.54 0.00 0.00 174.62 176.23 1lj1 h LEU 43 N -2.67 0.99 -0.98 4.79 5.85 -1.93 0.48 115.31 121.85 1lj1 h LEU 43 Ca -0.47 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.13 1lj1 h LEU 43 Cb 1.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1lj1 h LEU 43 CO 0.38 0.72 -0.28 0.00 -0.34 0.00 0.00 178.44 178.92 1lj1 h ALA 44 N 1.32 1.14 -0.19 1.25 0.00 -1.92 -1.22 119.26 119.63 1lj1 h ALA 44 Ca 0.32 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1lj1 h ALA 44 Cb -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1lj1 h ALA 44 CO -0.07 0.55 -0.39 0.93 0.00 0.00 0.00 179.25 180.26 1lj1 h GLU 45 N 0.36 0.60 -0.40 0.00 5.08 -1.68 -3.01 114.58 115.53 1lj1 h GLU 45 Ca 0.05 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1lj1 h GLU 45 Cb 0.68 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1lj1 h GLU 45 CO 0.05 1.01 0.20 0.28 -1.00 0.00 0.00 179.01 179.55 1lj1 h VAL 46 N 0.27 1.13 0.00 3.13 2.07 -0.63 -2.69 116.25 119.54 1lj1 h VAL 46 Ca 0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1lj1 h VAL 46 Cb 1.00 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1lj1 h VAL 46 CO 0.09 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 1lj1 h ALA 47 N 1.67 1.44 -0.14 1.67 0.00 -1.09 -1.32 119.26 121.49 1lj1 h ALA 47 Ca 0.14 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1lj1 h ALA 47 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1lj1 h ALA 47 CO -0.02 0.18 0.16 0.93 0.00 0.00 0.00 179.25 180.50 1lj1 h GLU 48 N 0.00 0.00 -0.11 0.00 4.39 -1.45 -2.06 114.58 115.36 1lj1 h GLU 48 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lj1 h GLU 48 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1lj1 h GLU 48 CO 0.02 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.12 1lj1 n THR 49 N -3.79 0.12 -2.44 1.13 -2.24 -0.50 -4.37 114.28 102.20 1lj1 n THR 49 Ca 0.00 -0.56 -0.05 0.00 -2.27 0.00 0.00 64.05 61.18 1lj1 n THR 49 Cb 0.27 1.36 0.05 0.00 -2.10 0.00 0.00 70.33 69.92 1lj1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1lj1 n THR 50 N 1.32 1.44 -2.38 4.28 -2.24 -0.78 -5.09 114.28 110.83 1lj1 n THR 50 Ca 0.15 -2.92 -0.35 0.00 -2.27 0.00 0.00 64.05 58.66 1lj1 n THR 50 Cb 0.58 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1lj1 n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1lj1 s LYS 51 N -2.98 3.59 0.07 -0.78 1.02 -1.19 -4.57 119.74 114.89 1lj1 s LYS 51 Ca 0.35 1.52 0.01 0.00 0.02 0.00 0.00 55.97 57.87 1lj1 s LYS 51 Cb 0.36 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1lj1 s LYS 51 CO -0.05 -0.64 -0.06 -1.01 -0.92 0.00 0.00 175.35 172.68 1lj1 s HIS 52 N -1.84 0.70 0.14 3.18 3.76 -1.03 -5.02 115.29 115.18 1lj1 s HIS 52 Ca 0.70 -0.82 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 1lj1 s HIS 52 Cb -0.21 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.05 1lj1 s HIS 52 CO 0.24 -0.19 1.62 1.49 -0.85 0.00 0.00 174.74 177.05 1lj1 h GLU 53 N 3.50 -0.31 -0.26 1.40 4.81 -2.03 -3.29 114.58 118.39 1lj1 h GLU 53 Ca -0.35 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1lj1 h GLU 53 Cb 1.17 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1lj1 h GLU 53 CO 0.58 -0.21 0.00 0.72 -0.73 0.00 0.00 179.01 179.37 1lj1 n HIS 54 N -5.39 0.35 -3.44 0.92 8.25 -1.26 -5.03 115.22 109.61 1lj1 n HIS 54 Ca -0.02 -0.42 -0.12 0.00 -0.26 0.00 0.00 57.72 56.90 1lj1 n HIS 54 Cb 0.30 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1lj1 n HIS 54 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1lj1 s TYR 55 N -0.97 -0.52 -0.30 4.41 -0.85 -1.24 -4.83 117.35 113.05 1lj1 s TYR 55 Ca 0.19 0.30 -0.06 0.00 -0.52 0.00 0.00 57.07 56.97 1lj1 s TYR 55 Cb 0.10 0.57 0.16 0.00 0.38 0.00 0.00 41.96 43.17 1lj1 s TYR 55 CO 0.14 -0.87 0.67 1.21 -1.52 0.00 0.00 175.55 175.18 1lj1 s ASN 56 N -2.76 -1.18 0.36 -0.18 3.04 -1.26 -2.47 114.94 110.49 1lj1 s ASN 56 Ca 0.02 1.14 0.14 0.00 0.04 0.00 0.00 52.86 54.19 1lj1 s ASN 56 Cb -0.01 2.15 0.98 0.00 -1.54 0.00 0.00 41.25 42.83 1lj1 s ASN 56 CO -0.12 -0.22 1.76 0.00 -3.04 0.00 0.00 177.10 175.47 1lj1 h ALA 57 N 7.97 2.00 -0.48 1.71 0.00 -1.98 -1.70 119.26 126.77 1lj1 h ALA 57 Ca -0.20 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1lj1 h ALA 57 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1lj1 h ALA 57 CO 0.16 -0.43 0.00 0.72 0.00 0.00 0.00 179.25 179.70 1lj1 n HIS 58 N -4.74 0.63 -3.40 0.00 8.25 -1.26 -4.66 115.22 110.05 1lj1 n HIS 58 Ca 0.26 -0.32 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 1lj1 n HIS 58 Cb 0.79 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.81 1lj1 n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lj1 s ALA 59 N -1.37 -0.11 0.00 -1.41 0.00 -0.64 -4.57 121.76 113.66 1lj1 s ALA 59 Ca 0.36 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1lj1 s ALA 59 Cb 0.19 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1lj1 s ALA 59 CO 0.26 -2.03 0.00 -1.13 0.00 0.00 0.00 175.76 172.85 1lj1 n SER 60 N 4.44 1.83 -0.01 0.00 3.41 -1.26 -4.47 113.62 117.56 1lj1 n SER 60 Ca 0.08 -0.75 0.15 0.00 -0.26 0.00 0.00 58.87 58.09 1lj1 n SER 60 Cb 0.44 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.09 1lj1 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lj1 n HIS 61 N 0.00 0.00 -2.13 7.33 1.44 -1.26 -4.86 115.22 115.74 1lj1 n HIS 61 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1lj1 n HIS 61 Cb 0.00 -0.32 -0.03 0.00 0.12 0.00 0.00 29.99 29.76 1lj1 n HIS 61 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lj1 s PHE 62 N -2.66 3.21 0.81 -1.40 0.40 -1.26 -4.86 117.98 112.22 1lj1 s PHE 62 Ca 0.25 0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 57.37 1lj1 s PHE 62 Cb 0.20 -3.72 0.10 0.00 0.51 0.00 0.00 43.02 40.10 1lj1 s PHE 62 CO 0.48 -2.56 1.16 -1.25 0.70 0.00 0.00 175.22 173.75 1lj1 s PRO 63 N 1.13 1.78 1.40 0.24 0.04 -1.26 -4.96 135.00 133.37 1lj1 s PRO 63 Ca 0.65 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1lj1 s PRO 63 Cb -0.38 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1lj1 s PRO 63 CO 0.30 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1lj1 n GLY 64 N -3.29 -1.70 3.27 0.56 0.00 -1.26 -4.71 105.19 98.06 1lj1 n GLY 64 Ca 0.09 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 1lj1 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lj1 s GLU 65 N 0.00 2.88 -0.29 1.61 8.01 -1.26 -5.04 118.70 124.61 1lj1 s GLU 65 Ca 0.00 -1.88 -0.29 0.00 0.01 0.00 0.00 54.97 52.81 1lj1 s GLU 65 Cb 0.00 -4.17 -0.01 0.00 -4.31 0.00 0.00 34.13 25.65 1lj1 s GLU 65 CO 0.00 -1.27 1.45 0.08 0.01 0.00 0.00 175.26 175.53 1lj1 s VAL 66 N 1.23 3.92 0.51 2.63 1.01 -1.26 -4.98 120.40 123.47 1lj1 s VAL 66 Ca 0.07 1.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.84 1lj1 s VAL 66 Cb -0.25 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1lj1 s VAL 66 CO -0.00 -0.45 1.35 0.00 0.00 0.00 0.00 175.10 176.00 1lj1 s ALA 67 N 4.92 2.93 0.30 5.51 0.00 -1.26 -4.93 121.76 129.24 1lj1 s ALA 67 Ca 0.63 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.93 1lj1 s ALA 67 Cb -0.19 -3.55 0.48 0.00 0.00 0.00 0.00 23.12 19.85 1lj1 s ALA 67 CO 0.27 -1.25 1.82 0.00 0.00 0.00 0.00 175.76 176.59 1lj1 n THR 69 N -4.24 0.61 -0.28 0.00 -2.24 -1.26 -1.15 114.28 105.72 1lj1 n THR 69 Ca 0.02 0.15 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1lj1 n THR 69 Cb 0.27 -0.88 0.41 0.00 -2.10 0.00 0.00 70.33 68.04 1lj1 n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1lj1 h SER 70 N 0.00 0.61 0.00 3.42 0.02 -1.53 -3.34 113.55 112.73 1lj1 h SER 70 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1lj1 h SER 70 Cb 0.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1lj1 h SER 70 CO 0.00 0.27 -0.87 0.00 -1.14 0.00 0.00 176.83 175.09 1lj1 s HIS 72 N -1.82 3.27 0.53 0.00 3.76 -0.30 -4.20 115.29 116.53 1lj1 s HIS 72 Ca 0.00 -1.13 -0.04 0.00 -0.15 0.00 0.00 55.06 53.73 1lj1 s HIS 72 Cb 0.00 -3.16 -0.01 0.00 1.11 0.00 0.00 32.58 30.52 1lj1 s HIS 72 CO 0.00 -0.83 0.82 -1.12 -0.85 0.00 0.00 174.74 172.76 1lj1 s SER 73 N 2.54 5.86 -0.21 1.40 0.01 -1.26 -4.11 113.70 117.92 1lj1 s SER 73 Ca 0.04 0.70 -0.18 0.00 1.31 0.00 0.00 55.95 57.82 1lj1 s SER 73 Cb -0.24 -1.85 -0.14 0.00 0.21 0.00 0.00 66.02 63.99 1lj1 s SER 73 CO 0.05 -0.83 -0.02 0.00 0.41 0.00 0.00 173.24 172.85 1lj1 n ALA 74 N -2.38 0.84 0.39 1.44 0.00 -1.26 -4.54 120.51 115.01 1lj1 n ALA 74 Ca 0.03 -0.64 0.09 0.00 0.00 0.00 0.00 53.44 52.91 1lj1 n ALA 74 Cb 0.57 -0.27 0.25 0.00 0.00 0.00 0.00 19.45 20.00 1lj1 n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lj1 n HIS 75 N -4.42 0.64 -3.80 0.00 8.25 -1.26 -0.85 115.22 113.78 1lj1 n HIS 75 Ca -0.33 -0.32 -0.10 0.00 -0.26 0.00 0.00 57.72 56.72 1lj1 n HIS 75 Cb 0.66 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.72 1lj1 n HIS 75 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1lj1 s GLU 76 N -1.36 1.30 0.65 -0.41 -1.05 -1.26 -4.99 118.70 111.57 1lj1 s GLU 76 Ca 0.36 -0.94 -0.16 0.00 -0.15 0.00 0.00 54.97 54.07 1lj1 s GLU 76 Cb 0.19 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.35 1lj1 s GLU 76 CO 0.26 -0.53 1.16 0.15 0.95 0.00 0.00 175.26 177.25 1lj1 s LYS 77 N -3.90 2.73 0.25 -4.83 1.02 -1.26 -4.51 119.74 109.25 1lj1 s LYS 77 Ca 0.11 1.62 -0.03 0.00 0.02 0.00 0.00 55.97 57.69 1lj1 s LYS 77 Cb 0.00 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1lj1 s LYS 77 CO -0.02 -1.35 0.30 -1.54 -0.92 0.00 0.00 175.35 171.82 1lj1 s SER 78 N -2.10 0.43 0.07 2.83 1.04 -0.93 -4.89 113.70 110.16 1lj1 s SER 78 Ca 0.72 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1lj1 s SER 78 Cb -0.25 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1lj1 s SER 78 CO 0.39 -1.03 0.08 -0.04 0.98 0.00 0.00 173.24 173.62 1lj1 s MET 79 N -3.83 2.92 -0.23 4.02 1.00 -1.26 -1.63 119.30 120.27 1lj1 s MET 79 Ca 0.34 -0.67 -0.24 0.00 0.00 0.00 0.00 55.69 55.12 1lj1 s MET 79 Cb 0.03 -2.75 -0.01 0.00 0.00 0.00 0.00 34.83 32.10 1lj1 s MET 79 CO 0.15 0.57 0.79 0.08 0.00 0.00 0.00 175.02 176.61 1lj1 s VAL 80 N -1.38 4.87 0.25 -6.03 1.01 -1.26 -4.53 120.40 113.33 1lj1 s VAL 80 Ca 0.29 1.49 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 1lj1 s VAL 80 Cb -0.12 -4.08 0.24 0.00 0.00 0.00 0.00 36.38 32.42 1lj1 s VAL 80 CO 0.22 -0.04 1.91 0.22 0.00 0.00 0.00 175.10 177.41 1lj1 h TYR 81 N 7.67 1.19 -0.28 5.22 3.20 -1.93 -2.31 116.97 129.72 1lj1 h TYR 81 Ca -0.25 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.73 1lj1 h TYR 81 Cb 1.10 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1lj1 h TYR 81 CO 0.75 0.71 0.45 0.00 -1.64 0.00 0.00 178.16 178.43 1lj1 n ASP 83 N -3.38 0.00 0.15 0.00 10.43 -0.87 -1.17 116.55 121.72 1lj1 n ASP 83 Ca 0.04 0.44 0.13 0.00 2.57 0.00 0.00 54.79 57.97 1lj1 n ASP 83 Cb 0.58 -0.47 0.48 0.00 1.84 0.00 0.00 41.12 43.55 1lj1 n ASP 83 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1lj1 h SER 84 N 0.00 0.00 0.00 -2.24 4.64 -1.57 -3.37 113.55 111.01 1lj1 h SER 84 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lj1 h SER 84 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1lj1 h SER 84 CO 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 176.83 175.36 1lj1 s HIS 86 N -1.60 2.51 -0.49 0.00 3.76 -0.31 -4.85 115.29 114.31 1lj1 s HIS 86 Ca 0.00 -0.65 0.08 0.00 -0.15 0.00 0.00 55.06 54.34 1lj1 s HIS 86 Cb 0.00 -1.85 0.32 0.00 1.11 0.00 0.00 32.58 32.16 1lj1 s HIS 86 CO 0.00 0.31 0.80 0.43 -0.85 0.00 0.00 174.74 175.42 1lj1 n SER 87 N -1.12 2.61 -4.82 1.40 7.64 -1.26 -4.11 113.62 113.97 1lj1 n SER 87 Ca -0.04 -3.30 -0.31 0.00 1.01 0.00 0.00 58.87 56.22 1lj1 n SER 87 Cb 0.66 -0.60 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1lj1 n SER 87 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1lj1 s PHE 88 N -2.72 3.10 -0.72 1.43 2.99 -1.26 -4.94 117.98 115.86 1lj1 s PHE 88 Ca 0.43 1.44 -0.25 0.00 0.00 0.00 0.00 56.93 58.56 1lj1 s PHE 88 Cb 0.28 -2.91 0.05 0.00 0.00 0.00 0.00 43.02 40.44 1lj1 s PHE 88 CO -0.10 -1.17 1.15 0.34 -0.00 0.00 0.00 175.22 175.44 1lj1 s ASP 89 N -3.53 6.19 0.22 1.36 2.15 -1.26 -4.98 116.67 116.83 1lj1 s ASP 89 Ca 0.59 -0.75 0.11 0.00 0.43 0.00 0.00 52.55 52.93 1lj1 s ASP 89 Cb -0.14 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1lj1 s ASP 89 CO 0.50 -1.64 -0.20 -0.36 -0.17 0.00 0.00 175.17 173.29 1lj1 s PHE 90 N 4.94 2.35 -0.38 -5.34 2.99 -1.26 -5.08 117.98 116.19 1lj1 s PHE 90 Ca 0.30 -0.33 0.13 0.00 0.00 0.00 0.00 56.93 57.03 1lj1 s PHE 90 Cb -0.11 -1.11 0.38 0.00 0.00 0.00 0.00 43.02 42.18 1lj1 s PHE 90 CO 0.11 0.58 0.81 -1.71 -0.00 0.00 0.00 175.22 175.01 1lj1 n ASN 91 N -0.11 1.37 -4.73 1.36 2.85 -1.26 -5.11 115.26 109.63 1lj1 n ASN 91 Ca -0.10 -3.02 -0.41 0.00 -0.11 0.00 0.00 54.58 50.94 1lj1 n ASN 91 Cb 0.57 -0.59 -0.03 0.00 1.24 0.00 0.00 39.78 40.97 1lj1 n ASN 91 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1lj1 s MET 92 N -2.70 4.46 0.39 1.20 -2.45 -1.26 -4.97 119.30 113.97 1lj1 s MET 92 Ca 0.38 1.90 -0.26 0.00 -1.25 0.00 0.00 55.69 56.45 1lj1 s MET 92 Cb 0.37 -3.25 -0.11 0.00 1.25 0.00 0.00 34.83 33.09 1lj1 s MET 92 CO -0.06 -0.16 1.30 -2.30 1.05 0.00 0.00 175.02 174.85 1lj1 n PRO 93 N 2.85 2.06 -2.40 4.11 -0.02 -1.26 -2.86 135.00 137.49 1lj1 n PRO 93 Ca 0.06 0.73 -0.21 0.00 -2.02 0.00 0.00 63.50 62.06 1lj1 n PRO 93 Cb 0.44 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1lj1 n PRO 93 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1lj1 n TYR 94 N 0.02 -0.99 -1.67 6.00 4.01 -1.26 -4.91 117.16 118.35 1lj1 n TYR 94 Ca 0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 1lj1 n TYR 94 Cb 0.38 -3.94 0.07 0.00 -0.31 0.00 0.00 39.34 35.55 1lj1 n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1lj1 s ALA 95 N -3.03 2.50 0.05 -0.72 0.00 -1.14 -2.18 121.76 117.24 1lj1 s ALA 95 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1lj1 s ALA 95 Cb -0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1lj1 s ALA 95 CO 0.00 -1.50 0.09 -1.59 0.00 0.00 0.00 175.76 172.77 1lj1 s LYS 96 N -5.22 0.62 0.38 0.00 -2.85 -0.65 -4.73 119.74 107.28 1lj1 s LYS 96 Ca 0.60 -0.85 -0.27 0.00 -1.00 0.00 0.00 55.97 54.45 1lj1 s LYS 96 Cb -0.13 0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.78 1lj1 s LYS 96 CO 0.53 -0.16 1.35 0.21 0.10 0.00 0.00 175.35 177.39 1lj1 s LYS 97 N -2.95 4.12 0.14 1.78 2.20 -1.26 -4.35 119.74 119.42 1lj1 s LYS 97 Ca -0.02 2.28 -0.33 0.00 -0.36 0.00 0.00 55.97 57.54 1lj1 s LYS 97 Cb 0.01 -2.91 -0.12 0.00 -1.51 0.00 0.00 37.83 33.30 1lj1 s LYS 97 CO -0.06 -0.41 1.72 1.87 -0.36 0.00 0.00 175.35 178.11 1lj1 n TRP 98 N 0.42 2.51 -3.65 4.03 -0.00 -1.26 -4.93 117.44 114.56 1lj1 n TRP 98 Ca 0.02 0.07 -0.06 0.00 -0.00 0.00 0.00 57.50 57.52 1lj1 n TRP 98 Cb 0.42 -2.64 -0.08 0.00 -0.00 0.00 0.00 31.31 29.01 1lj1 n TRP 98 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1lj1 s LEU 99 N 1.77 -0.79 -0.28 5.87 2.96 -1.26 -5.05 118.68 121.90 1lj1 s LEU 99 Ca 0.80 1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 55.70 1lj1 s LEU 99 Cb -0.58 1.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 1lj1 s LEU 99 CO 0.37 -0.23 0.38 -0.60 -1.32 0.00 0.00 176.35 174.96 1lj1 s ARG 100 N 2.69 3.94 -0.40 1.98 6.06 -1.26 -5.00 118.95 126.97 1lj1 s ARG 100 Ca -0.03 -0.01 0.03 0.00 -2.50 0.00 0.00 55.73 53.22 1lj1 s ARG 100 Cb -0.12 -3.68 0.16 0.00 0.06 0.00 0.00 34.95 31.37 1lj1 s ARG 100 CO -0.15 -0.33 0.32 0.34 -2.50 0.00 0.00 175.30 172.98 1lj1 s ASP 101 N 1.66 1.66 -0.21 -2.12 3.68 -1.26 -5.11 116.67 114.96 1lj1 s ASP 101 Ca 0.15 -2.90 -0.07 0.00 2.13 0.00 0.00 52.55 51.86 1lj1 s ASP 101 Cb -0.16 -0.41 -0.03 0.00 -1.45 0.00 0.00 42.92 40.87 1lj1 s ASP 101 CO 0.10 -0.19 0.06 -0.70 0.13 0.00 0.00 175.17 174.57 1lj1 s GLU 102 N 0.25 3.80 0.43 4.34 2.12 -1.26 -5.08 118.70 123.29 1lj1 s GLU 102 Ca 0.30 -0.42 -0.25 0.00 0.36 0.00 0.00 54.97 54.96 1lj1 s GLU 102 Cb -0.01 -3.26 -0.09 0.00 0.26 0.00 0.00 34.13 31.03 1lj1 s GLU 102 CO -0.16 0.04 1.31 -2.30 -0.54 0.00 0.00 175.26 173.60 1lj1 n PRO 103 N 4.25 2.00 -1.41 4.30 -0.02 -1.26 -5.00 135.00 137.85 1lj1 n PRO 103 Ca -0.16 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1lj1 n PRO 103 Cb 0.52 -2.44 0.11 0.00 -0.02 0.00 0.00 33.50 31.67 1lj1 n PRO 103 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1lj1 s THR 104 N -1.20 2.90 0.27 3.45 -4.23 -1.26 -4.87 115.64 110.70 1lj1 s THR 104 Ca 0.61 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 1lj1 s THR 104 Cb -0.49 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 70.68 1lj1 s THR 104 CO 0.58 -0.38 1.92 0.40 -0.54 0.00 0.00 174.62 176.60 1lj1 h ILE 105 N -1.27 1.19 -0.25 2.99 1.08 -1.94 -1.61 117.51 117.70 1lj1 h ILE 105 Ca -0.48 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.59 1lj1 h ILE 105 Cb 1.27 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 1lj1 h ILE 105 CO 0.57 0.23 0.09 0.00 -0.69 0.00 0.00 178.15 178.35 1lj1 h ALA 106 N 1.43 0.28 0.00 1.87 0.00 -1.99 -2.31 119.26 118.54 1lj1 h ALA 106 Ca 0.37 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1lj1 h ALA 106 Cb -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1lj1 h ALA 106 CO -0.11 -0.33 -0.13 0.93 0.00 0.00 0.00 179.25 179.62 1lj1 h GLU 107 N 0.20 0.00 0.00 0.00 5.08 -1.68 -2.57 114.58 115.61 1lj1 h GLU 107 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1lj1 h GLU 107 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1lj1 h GLU 107 CO -0.11 0.13 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 1lj1 n LEU 108 N -4.38 0.00 0.27 1.33 4.77 -0.78 -2.18 117.00 116.03 1lj1 n LEU 108 Ca -0.03 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1lj1 n LEU 108 Cb 0.20 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.06 1lj1 n LEU 108 CO 0.36 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.48 1lj1 h ALA 109 N 2.80 1.67 -0.60 -1.18 0.00 -1.55 -1.38 119.26 119.02 1lj1 h ALA 109 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1lj1 h ALA 109 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1lj1 h ALA 109 CO 0.00 0.04 0.42 1.57 0.00 0.00 0.00 179.25 181.28 1lj1 h LYS 110 N 0.00 0.09 -0.93 0.00 2.10 -1.68 -0.91 116.57 115.24 1lj1 h LYS 110 Ca -0.00 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.45 1lj1 h LYS 110 Cb 0.07 -0.02 -0.12 0.00 -0.90 0.00 0.00 32.23 31.26 1lj1 h LYS 110 CO 0.00 0.06 0.25 -0.25 -2.00 0.00 0.00 179.45 177.51 1lj1 n ASP 111 N -4.40 3.44 -0.30 7.07 10.43 -0.52 -4.59 116.55 127.68 1lj1 n ASP 111 Ca 0.11 -2.75 0.03 0.00 2.57 0.00 0.00 54.79 54.76 1lj1 n ASP 111 Cb 0.60 -0.66 0.11 0.00 1.84 0.00 0.00 41.12 43.01 1lj1 n ASP 111 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1lj1 h LYS 112 N 1.00 -0.00 0.00 -1.24 3.11 -1.34 -0.89 116.57 117.21 1lj1 h LYS 112 Ca 0.24 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1lj1 h LYS 112 Cb 1.79 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.02 1lj1 h LYS 112 CO 0.49 -0.00 0.00 0.43 -2.81 0.00 0.00 179.45 177.56 1lj1 n SER 113 N -5.55 0.00 -0.08 4.20 7.64 -1.26 -0.96 113.62 117.61 1lj1 n SER 113 Ca 0.12 0.04 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 1lj1 n SER 113 Cb 0.43 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.89 1lj1 n SER 113 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1lj1 h GLU 114 N 0.00 0.71 -0.61 1.43 4.81 -1.89 -3.16 114.58 115.87 1lj1 h GLU 114 Ca 0.00 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1lj1 h GLU 114 Cb 0.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1lj1 h GLU 114 CO 0.00 0.62 0.05 0.00 -0.73 0.00 0.00 179.01 178.95 1lj1 h ARG 115 N 0.69 1.04 -0.53 1.92 3.08 -1.01 -2.37 114.38 117.21 1lj1 h ARG 115 Ca 0.16 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1lj1 h ARG 115 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1lj1 h ARG 115 CO -0.01 1.00 -0.01 1.96 -1.07 0.00 0.00 179.97 181.84 1lj1 h GLN 116 N 0.94 0.95 -0.56 0.04 4.20 -1.02 -2.16 115.11 117.50 1lj1 h GLN 116 Ca 0.18 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1lj1 h GLN 116 Cb 0.49 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1lj1 h GLN 116 CO 0.02 0.96 0.36 0.00 -0.67 0.00 0.00 178.83 179.50 1lj1 h ALA 117 N 0.95 0.71 -0.49 3.87 0.00 -1.53 -1.94 119.26 120.82 1lj1 h ALA 117 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1lj1 h ALA 117 Cb 0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1lj1 h ALA 117 CO 0.03 0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.75 1lj1 h ALA 118 N 1.19 0.62 0.00 0.00 0.00 -1.23 -2.72 119.26 117.12 1lj1 h ALA 118 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1lj1 h ALA 118 Cb -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1lj1 h ALA 118 CO -0.04 0.02 -0.13 -0.07 0.00 0.00 0.00 179.25 179.04 1lj1 h LEU 119 N 0.62 0.00 0.00 0.00 3.38 -1.24 -1.58 115.31 116.49 1lj1 h LEU 119 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1lj1 h LEU 119 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1lj1 h LEU 119 CO -0.06 0.13 -0.11 0.00 0.09 0.00 0.00 178.44 178.48 1lj1 n ALA 120 N -2.17 2.44 -2.00 1.53 0.00 -0.74 -4.87 120.51 114.69 1lj1 n ALA 120 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1lj1 n ALA 120 Cb 0.38 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1lj1 n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lj1 s SER 121 N -4.08 5.43 0.56 0.00 0.01 -0.59 -5.04 113.70 109.98 1lj1 s SER 121 Ca 0.11 0.80 -0.20 0.00 1.31 0.00 0.00 55.95 57.97 1lj1 s SER 121 Cb 0.14 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 1lj1 s SER 121 CO 0.60 -1.23 1.22 0.00 0.41 0.00 0.00 173.24 174.25 1lj1 s ALA 122 N -3.14 2.68 0.34 1.44 0.00 -1.26 -4.94 121.76 116.87 1lj1 s ALA 122 Ca 0.56 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 1lj1 s ALA 122 Cb -0.11 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1lj1 s ALA 122 CO 0.47 -1.08 1.27 -0.35 0.00 0.00 0.00 175.76 176.07 1lj1 n PRO 123 N -1.27 2.08 0.14 0.00 -0.04 -1.26 -4.86 135.00 129.78 1lj1 n PRO 123 Ca 0.12 0.73 0.01 0.00 -0.04 0.00 0.00 63.50 64.32 1lj1 n PRO 123 Cb 0.49 -2.30 0.33 0.00 -0.04 0.00 0.00 33.50 31.98 1lj1 n PRO 123 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1lj1 h HIS 124 N 2.53 0.16 -3.49 0.54 2.76 -1.37 -3.44 115.15 112.83 1lj1 h HIS 124 Ca -0.46 -0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.52 1lj1 h HIS 124 Cb 1.29 -0.04 -0.23 0.00 1.55 0.00 0.00 27.41 29.98 1lj1 h HIS 124 CO 0.50 0.45 -0.52 -0.51 -1.30 0.00 0.00 177.93 176.55 1lj1 s ASP 125 N -6.90 -0.02 -0.23 3.26 1.01 -1.25 -5.07 116.67 107.47 1lj1 s ASP 125 Ca -0.04 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.18 1lj1 s ASP 125 Cb 0.14 0.23 0.05 0.00 1.01 0.00 0.00 42.92 44.35 1lj1 s ASP 125 CO 0.74 -0.26 -0.13 -0.89 0.21 0.00 0.00 175.17 174.84 1lj1 s THR 126 N -0.91 1.98 0.32 -1.27 2.01 -1.26 -1.25 115.64 115.27 1lj1 s THR 126 Ca -0.10 -1.31 0.05 0.00 0.31 0.00 0.00 61.69 60.65 1lj1 s THR 126 Cb -0.06 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1lj1 s THR 126 CO 0.01 0.14 0.19 1.33 -0.69 0.00 0.00 174.62 175.61 1lj1 n VAL 127 N 4.55 0.00 -0.04 3.82 0.24 -0.22 -5.00 118.33 121.68 1lj1 n VAL 127 Ca -0.16 -2.13 -0.21 0.00 -2.04 0.00 0.00 64.34 59.80 1lj1 n VAL 127 Cb 0.45 0.93 -0.13 0.00 -1.47 0.00 0.00 33.84 33.62 1lj1 n VAL 127 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1lj1 h ASP 128 N 1.64 0.22 -3.93 -1.34 3.32 -1.70 -3.36 116.42 111.27 1lj1 h ASP 128 Ca -0.24 -0.75 -0.40 0.00 0.02 0.00 0.00 57.03 55.66 1lj1 h ASP 128 Cb 1.07 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 1lj1 h ASP 128 CO 0.37 1.61 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.03 1lj1 s VAL 129 N -2.44 0.72 -0.17 -1.35 1.01 -1.01 -2.16 120.40 114.99 1lj1 s VAL 129 Ca -0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1lj1 s VAL 129 Cb 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1lj1 s VAL 129 CO 0.69 0.21 -0.09 -0.69 0.00 0.00 0.00 175.10 175.22 1lj1 s VAL 130 N -0.02 3.19 -0.16 2.92 1.01 -0.62 -1.50 120.40 125.22 1lj1 s VAL 130 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1lj1 s VAL 130 Cb -0.06 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1lj1 s VAL 130 CO -0.00 0.49 0.09 -0.69 0.00 0.00 0.00 175.10 174.99 1lj1 s VAL 131 N 0.79 5.09 -0.35 2.92 1.01 0.36 -1.42 120.40 128.79 1lj1 s VAL 131 Ca -0.04 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1lj1 s VAL 131 Cb -0.15 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1lj1 s VAL 131 CO 0.01 0.51 0.16 -0.69 0.00 0.00 0.00 175.10 175.09 1lj1 s VAL 132 N -0.10 4.33 0.00 2.92 1.01 -0.50 -0.96 120.40 127.11 1lj1 s VAL 132 Ca 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1lj1 s VAL 132 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1lj1 s VAL 132 CO 0.01 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1lj1 n GLY 133 N 4.94 3.16 2.27 4.51 0.00 0.51 -1.38 105.19 119.19 1lj1 n GLY 133 Ca -0.12 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 1lj1 n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lj1 n SER 134 N 0.00 6.62 -2.03 1.61 3.41 -1.25 -3.95 113.62 118.02 1lj1 n SER 134 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1lj1 n SER 134 Cb 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1lj1 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lj1 n GLY 135 N -0.96 -0.08 0.33 5.00 0.00 -1.26 -1.18 105.19 107.04 1lj1 n GLY 135 Ca 0.61 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 1lj1 n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1lj1 h GLY 136 N 0.00 1.16 0.93 -0.02 0.00 -1.93 -2.35 103.07 100.87 1lj1 h GLY 136 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 1lj1 h GLY 136 CO 0.00 0.58 -0.15 0.00 0.00 0.00 0.00 176.54 176.97 1lj1 h ALA 137 N 1.26 0.44 -0.04 3.60 0.00 -1.90 -2.71 119.26 119.91 1lj1 h ALA 137 Ca 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1lj1 h ALA 137 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1lj1 h ALA 137 CO -0.02 0.35 -0.01 0.78 0.00 0.00 0.00 179.25 180.34 1lj1 h GLY 138 N 0.42 0.09 0.64 0.00 0.00 -1.66 -1.40 103.07 101.16 1lj1 h GLY 138 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1lj1 h GLY 138 CO 0.05 0.07 0.20 0.74 0.00 0.00 0.00 176.54 177.59 1lj1 h PHE 139 N -0.26 0.35 -0.44 5.60 0.04 -1.50 -0.99 116.94 119.73 1lj1 h PHE 139 Ca 0.01 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.88 1lj1 h PHE 139 Cb 0.40 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 1lj1 h PHE 139 CO 0.05 0.15 0.06 0.77 -0.60 0.00 0.00 178.31 178.74 1lj1 h SER 140 N 0.39 -0.05 0.17 2.17 0.02 -1.42 -1.34 113.55 113.49 1lj1 h SER 140 Ca 0.21 0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 1lj1 h SER 140 Cb 0.18 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1lj1 h SER 140 CO -0.19 0.01 -0.49 0.00 -1.14 0.00 0.00 176.83 175.02 1lj1 h ALA 141 N 1.36 0.90 -0.52 3.77 0.00 -1.12 -1.83 119.26 121.82 1lj1 h ALA 141 Ca 0.22 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1lj1 h ALA 141 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1lj1 h ALA 141 CO -0.31 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 1lj1 h ALA 142 N 1.19 0.71 0.24 0.00 0.00 -0.90 -1.27 119.26 119.23 1lj1 h ALA 142 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1lj1 h ALA 142 Cb 0.97 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1lj1 h ALA 142 CO 0.08 0.54 -0.12 0.82 0.00 0.00 0.00 179.25 180.58 1lj1 h ILE 143 N 0.81 0.81 -0.80 0.00 2.04 -1.23 -1.67 117.51 117.46 1lj1 h ILE 143 Ca 0.15 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1lj1 h ILE 143 Cb 0.56 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1lj1 h ILE 143 CO 0.03 0.13 0.51 0.77 0.00 0.00 0.00 178.15 179.59 1lj1 h SER 144 N -0.66 0.85 -0.64 1.72 4.64 -1.37 0.23 113.55 118.32 1lj1 h SER 144 Ca -0.03 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1lj1 h SER 144 Cb 0.46 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1lj1 h SER 144 CO 0.06 0.58 0.16 0.00 -0.87 0.00 0.00 176.83 176.76 1lj1 h ALA 145 N 1.34 0.85 -0.19 5.18 0.00 -1.24 -1.85 119.26 123.35 1lj1 h ALA 145 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1lj1 h ALA 145 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1lj1 h ALA 145 CO -0.11 0.56 0.05 1.15 0.00 0.00 0.00 179.25 180.90 1lj1 h THR 146 N 0.95 1.20 -0.05 0.00 2.02 -1.00 -1.32 112.91 114.72 1lj1 h THR 146 Ca 0.20 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1lj1 h THR 146 Cb 0.36 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1lj1 h THR 146 CO 0.00 0.20 0.04 0.44 0.37 0.00 0.00 175.52 176.57 1lj1 h ASP 147 N 0.12 0.00 0.10 4.18 3.32 -0.47 -0.01 116.42 123.66 1lj1 h ASP 147 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1lj1 h ASP 147 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1lj1 h ASP 147 CO 0.00 0.00 -0.01 -1.20 -1.72 0.00 0.00 179.24 176.31 1lj1 n SER 148 N -4.35 0.13 0.00 6.45 7.64 -0.70 -4.93 113.62 117.86 1lj1 n SER 148 Ca -0.02 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1lj1 n SER 148 Cb 0.14 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1lj1 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lj1 n GLY 149 N 1.07 0.85 3.90 0.23 0.00 -0.02 -4.97 105.19 106.25 1lj1 n GLY 149 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1lj1 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 s ALA 150 N -2.00 3.74 -0.19 4.61 0.00 -0.57 -5.00 121.76 122.35 1lj1 s ALA 150 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1lj1 s ALA 150 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1lj1 s ALA 150 CO 0.00 0.53 0.45 0.21 0.00 0.00 0.00 175.76 176.96 1lj1 s LYS 151 N -2.95 4.19 0.16 0.00 2.47 -1.26 -3.99 119.74 118.36 1lj1 s LYS 151 Ca 0.42 0.30 0.10 0.00 -1.56 0.00 0.00 55.97 55.23 1lj1 s LYS 151 Cb -0.12 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 1lj1 s LYS 151 CO 0.26 -0.07 -0.21 0.08 0.16 0.00 0.00 175.35 175.57 1lj1 s VAL 152 N 1.38 2.58 -0.10 4.02 1.01 -1.26 -2.14 120.40 125.90 1lj1 s VAL 152 Ca 0.22 -1.77 0.04 0.00 0.00 0.00 0.00 61.98 60.46 1lj1 s VAL 152 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1lj1 s VAL 152 CO 0.09 -0.01 -0.22 -0.63 0.00 0.00 0.00 175.10 174.33 1lj1 s ILE 153 N -1.39 1.96 -0.21 2.22 1.01 -0.56 -4.09 121.20 120.13 1lj1 s ILE 153 Ca 0.19 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1lj1 s ILE 153 Cb -0.09 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1lj1 s ILE 153 CO 0.10 0.54 -0.09 -0.22 0.00 0.00 0.00 174.94 175.27 1lj1 s LEU 154 N 0.47 2.69 0.11 2.97 2.96 -0.42 -0.48 118.68 126.98 1lj1 s LEU 154 Ca -0.16 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.34 1lj1 s LEU 154 Cb -0.17 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1lj1 s LEU 154 CO 0.06 -0.02 -0.00 0.27 -1.32 0.00 0.00 176.35 175.35 1lj1 s ILE 155 N 1.43 3.93 -0.05 6.68 -4.36 -0.13 -1.24 121.20 127.46 1lj1 s ILE 155 Ca 0.06 -1.10 0.00 0.00 -0.26 0.00 0.00 60.65 59.34 1lj1 s ILE 155 Cb -0.14 -2.90 0.03 0.00 1.25 0.00 0.00 42.46 40.70 1lj1 s ILE 155 CO -0.06 0.06 -0.02 -0.70 0.24 0.00 0.00 174.94 174.46 1lj1 s GLU 156 N -2.47 0.60 0.24 0.37 2.56 -0.70 -0.37 118.70 118.94 1lj1 s GLU 156 Ca 0.26 0.02 0.06 0.00 0.00 0.00 0.00 54.97 55.31 1lj1 s GLU 156 Cb -0.11 -0.78 0.25 0.00 2.00 0.00 0.00 34.13 35.49 1lj1 s GLU 156 CO 0.18 -0.17 1.56 1.57 -0.56 0.00 0.00 175.26 177.84 1lj1 h LYS 157 N 7.58 0.15 -7.40 4.30 2.10 -1.84 -1.05 116.57 120.40 1lj1 h LYS 157 Ca -0.33 -0.11 -0.48 0.00 -2.00 0.00 0.00 60.65 57.73 1lj1 h LYS 157 Cb 1.14 0.02 0.13 0.00 -0.90 0.00 0.00 32.23 32.61 1lj1 h LYS 157 CO 0.40 0.74 0.30 -1.21 -2.00 0.00 0.00 179.45 177.68 1lj1 s GLU 158 N -3.64 1.62 0.23 0.07 0.41 -1.26 -3.92 118.70 112.21 1lj1 s GLU 158 Ca -0.03 0.62 0.25 0.00 -0.41 0.00 0.00 54.97 55.41 1lj1 s GLU 158 Cb 0.12 -1.87 0.86 0.00 -1.78 0.00 0.00 34.13 31.46 1lj1 s GLU 158 CO 0.79 -1.94 1.76 -0.35 -0.49 0.00 0.00 175.26 175.03 1lj1 n PRO 159 N -3.64 0.25 -4.26 0.39 -0.04 -1.26 -2.35 135.00 124.08 1lj1 n PRO 159 Ca 0.07 0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 1lj1 n PRO 159 Cb 0.57 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 1lj1 n PRO 159 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1lj1 s VAL 160 N -3.17 1.53 0.93 0.52 -7.23 -1.26 -4.74 120.40 106.99 1lj1 s VAL 160 Ca 0.09 -1.62 -0.14 0.00 -1.81 0.00 0.00 61.98 58.50 1lj1 s VAL 160 Cb 0.11 -1.52 0.16 0.00 0.56 0.00 0.00 36.38 35.69 1lj1 s VAL 160 CO 0.54 -0.22 1.19 0.27 -0.31 0.00 0.00 175.10 176.57 1lj1 s ILE 161 N -1.59 1.96 0.00 -0.62 -4.36 -1.26 -4.70 121.20 110.63 1lj1 s ILE 161 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 1lj1 s ILE 161 Cb -0.08 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.79 1lj1 s ILE 161 CO 0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.83 1lj1 n GLY 162 N -2.73 2.67 7.00 6.27 0.00 -0.32 -4.92 105.19 113.16 1lj1 n GLY 162 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1lj1 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj1 n GLY 163 N -2.00 2.35 0.22 -0.02 0.00 -1.26 -1.35 105.19 103.14 1lj1 n GLY 163 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1lj1 n GLY 163 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1lj1 h ASN 164 N 1.88 0.00 -0.72 1.61 2.35 -1.96 -3.35 115.58 115.39 1lj1 h ASN 164 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1lj1 h ASN 164 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1lj1 h ASN 164 CO 0.00 0.07 0.44 0.00 -1.65 0.00 0.00 177.43 176.29 1lj1 h ALA 165 N 1.93 1.40 0.00 -0.83 0.00 -1.61 -2.35 119.26 117.80 1lj1 h ALA 165 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1lj1 h ALA 165 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1lj1 h ALA 165 CO 0.01 0.52 0.00 1.57 0.00 0.00 0.00 179.25 181.35 1lj1 h LYS 166 N 1.00 0.00 0.00 0.00 2.10 -1.54 -2.48 116.57 115.65 1lj1 h LYS 166 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1lj1 h LYS 166 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1lj1 h LYS 166 CO -0.05 0.00 -0.92 1.28 -2.00 0.00 0.00 179.45 177.76 1lj1 n LEU 167 N -2.32 0.64 -4.57 7.07 4.77 -0.89 -2.18 117.00 119.52 1lj1 n LEU 167 Ca -0.01 -0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.52 1lj1 n LEU 167 Cb 0.09 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1lj1 n LEU 167 CO 0.13 0.08 0.43 0.00 -1.33 0.00 0.00 177.39 176.70 1lj1 n ALA 168 N -1.73 -0.17 -0.00 -1.18 0.00 -0.93 -4.84 120.51 111.65 1lj1 n ALA 168 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1lj1 n ALA 168 Cb 0.41 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1lj1 n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lj1 n ALA 169 N -1.38 3.00 -0.00 0.00 0.00 -1.26 -1.26 120.51 119.60 1lj1 n ALA 169 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1lj1 n ALA 169 Cb 0.45 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.37 1lj1 n ALA 169 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lj1 h GLY 170 N 0.00 0.52 0.00 0.00 0.00 -1.93 -2.68 103.07 98.98 1lj1 h GLY 170 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1lj1 h GLY 170 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.30 1lj1 n GLY 171 N -1.50 1.61 3.18 4.60 0.00 -1.26 -4.73 105.19 107.10 1lj1 n GLY 171 Ca 0.05 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 1lj1 n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lj1 s MET 172 N -1.77 2.60 0.32 1.61 1.75 -0.57 -4.23 119.30 119.02 1lj1 s MET 172 Ca 0.00 -1.15 -0.28 0.00 -1.25 0.00 0.00 55.69 53.01 1lj1 s MET 172 Cb 0.00 -3.10 -0.10 0.00 2.84 0.00 0.00 34.83 34.47 1lj1 s MET 172 CO 0.00 -0.53 1.20 -0.80 -0.65 0.00 0.00 175.02 174.24 1lj1 s ASN 173 N 1.28 6.93 -0.15 1.11 0.01 -0.88 -0.69 114.94 122.56 1lj1 s ASN 173 Ca -0.03 2.45 -0.30 0.00 -0.71 0.00 0.00 52.86 54.28 1lj1 s ASN 173 Cb -0.18 -2.63 0.11 0.00 0.41 0.00 0.00 41.25 38.95 1lj1 s ASN 173 CO -0.02 -0.40 0.91 0.00 -1.51 0.00 0.00 177.10 176.08 1lj1 s ALA 174 N -1.20 -1.89 -0.07 0.60 0.00 -1.15 -4.61 121.76 113.44 1lj1 s ALA 174 Ca 0.49 1.56 -0.05 0.00 0.00 0.00 0.00 51.96 53.96 1lj1 s ALA 174 Cb -0.35 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1lj1 s ALA 174 CO 0.45 -0.32 0.18 0.00 0.00 0.00 0.00 175.76 176.08 1lj1 s ALA 175 N -0.95 -0.42 -0.38 0.00 0.00 -1.26 -4.69 121.76 114.07 1lj1 s ALA 175 Ca -0.04 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1lj1 s ALA 175 Cb -0.01 -0.38 0.23 0.00 0.00 0.00 0.00 23.12 22.96 1lj1 s ALA 175 CO 0.03 -0.12 1.07 1.87 0.00 0.00 0.00 175.76 178.62 1lj1 n TRP 176 N 3.45 -1.38 -2.52 0.00 -0.00 -1.26 -4.02 117.44 111.70 1lj1 n TRP 176 Ca -0.18 -0.90 -0.27 0.00 -0.00 0.00 0.00 57.50 56.16 1lj1 n TRP 176 Cb 0.56 1.20 0.01 0.00 -0.00 0.00 0.00 31.31 33.09 1lj1 n TRP 176 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1lj1 s THR 177 N 0.63 4.36 0.36 5.87 -4.23 -1.26 -4.97 115.64 116.41 1lj1 s THR 177 Ca 0.26 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1lj1 s THR 177 Cb 0.15 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.45 1lj1 s THR 177 CO -0.11 -0.69 1.88 0.44 -0.54 0.00 0.00 174.62 175.61 1lj1 h ASP 178 N 0.05 0.30 -0.69 3.99 3.45 -1.99 -2.35 116.42 119.17 1lj1 h ASP 178 Ca -0.46 -0.07 -0.06 0.00 0.43 0.00 0.00 57.03 56.88 1lj1 h ASP 178 Cb 1.23 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.89 1lj1 h ASP 178 CO 0.61 0.46 0.22 1.56 -1.57 0.00 0.00 179.24 180.52 1lj1 h GLN 179 N 0.30 1.09 -0.28 3.56 7.50 -1.93 -1.91 115.11 123.44 1lj1 h GLN 179 Ca 0.06 -0.23 -0.03 0.00 0.50 0.00 0.00 58.65 58.96 1lj1 h GLN 179 Cb 0.40 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1lj1 h GLN 179 CO 0.02 0.93 0.07 1.96 -1.50 0.00 0.00 178.83 180.31 1lj1 h GLN 180 N 1.05 0.45 -0.78 1.46 4.20 -1.85 -3.10 115.11 116.54 1lj1 h GLN 180 Ca 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1lj1 h GLN 180 Cb 0.29 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1lj1 h GLN 180 CO -0.01 0.53 0.45 0.87 -0.67 0.00 0.00 178.83 180.01 1lj1 h LYS 181 N 0.29 1.06 0.00 1.46 1.57 -1.09 0.91 116.57 120.78 1lj1 h LYS 181 Ca 0.09 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1lj1 h LYS 181 Cb 0.28 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1lj1 h LYS 181 CO 0.00 0.76 -0.04 0.00 -0.57 0.00 0.00 179.45 179.60 1lj1 h ALA 182 N 1.42 1.11 -0.06 3.86 0.00 -1.32 0.76 119.26 125.02 1lj1 h ALA 182 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1lj1 h ALA 182 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lj1 h ALA 182 CO -0.05 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1lj1 n LYS 183 N -3.28 1.94 -2.27 0.00 4.76 0.09 -4.97 118.16 114.43 1lj1 n LYS 183 Ca -0.02 -1.78 -0.06 0.00 -2.87 0.00 0.00 58.31 53.58 1lj1 n LYS 183 Cb 0.19 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1lj1 n LYS 183 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1lj1 n LYS 184 N 1.19 -0.86 -3.57 1.97 4.01 0.26 -5.03 118.16 116.12 1lj1 n LYS 184 Ca 0.13 0.27 -0.36 0.00 -0.51 0.00 0.00 58.31 57.84 1lj1 n LYS 184 Cb 0.53 -3.96 -0.06 0.00 -0.51 0.00 0.00 35.03 31.03 1lj1 n LYS 184 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1lj1 s ILE 185 N -2.47 5.10 -0.13 -0.18 1.01 -0.20 -4.99 121.20 119.33 1lj1 s ILE 185 Ca 0.04 0.58 -0.00 0.00 0.00 0.00 0.00 60.65 61.26 1lj1 s ILE 185 Cb -0.02 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1lj1 s ILE 185 CO 0.05 0.42 -0.12 -0.89 0.00 0.00 0.00 174.94 174.39 1lj1 s THR 186 N -1.26 3.13 0.33 2.92 2.01 -1.26 -4.16 115.64 117.35 1lj1 s THR 186 Ca 0.28 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 1lj1 s THR 186 Cb -0.15 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1lj1 s THR 186 CO 0.15 0.52 0.62 -0.67 -0.69 0.00 0.00 174.62 174.56 1lj1 n ASP 187 N 3.52 -1.80 -3.50 3.53 2.03 -1.26 -4.96 116.55 114.11 1lj1 n ASP 187 Ca -0.18 -2.38 -0.13 0.00 0.52 0.00 0.00 54.79 52.62 1lj1 n ASP 187 Cb 0.53 3.04 -0.04 0.00 -0.72 0.00 0.00 41.12 43.92 1lj1 n ASP 187 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1lj1 s SER 188 N -2.75 -0.52 0.36 1.67 1.04 -1.26 -4.64 113.70 107.60 1lj1 s SER 188 Ca 0.15 0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.98 1lj1 s SER 188 Cb -0.04 0.48 0.80 0.00 0.10 0.00 0.00 66.02 67.36 1lj1 s SER 188 CO 0.11 -0.65 1.91 -0.65 0.98 0.00 0.00 173.24 174.94 1lj1 h PRO 189 N 2.44 0.68 -0.67 4.02 0.11 -1.87 -1.35 132.00 135.36 1lj1 h PRO 189 Ca -0.26 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1lj1 h PRO 189 Cb 1.21 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1lj1 h PRO 189 CO 0.35 0.45 0.44 0.93 -0.21 0.00 0.00 178.00 179.97 1lj1 h GLU 190 N 0.71 0.86 -0.39 1.05 3.07 -1.95 0.68 114.58 118.60 1lj1 h GLU 190 Ca 0.38 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 1lj1 h GLU 190 Cb 0.52 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1lj1 h GLU 190 CO -0.15 0.57 -0.32 1.25 -1.40 0.00 0.00 179.01 178.96 1lj1 h LEU 191 N 0.89 0.92 -0.18 1.33 5.85 -1.67 -1.59 115.31 120.86 1lj1 h LEU 191 Ca 0.25 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1lj1 h LEU 191 Cb -0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1lj1 h LEU 191 CO -0.06 1.15 0.10 -0.03 -0.34 0.00 0.00 178.44 179.26 1lj1 h MET 192 N 0.74 0.20 -0.10 1.25 4.05 -1.20 0.21 114.93 120.07 1lj1 h MET 192 Ca 0.08 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 1lj1 h MET 192 Cb 0.88 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 1lj1 h MET 192 CO 0.08 0.13 -0.14 0.35 0.23 0.00 0.00 176.91 177.56 1lj1 h PHE 193 N 0.20 -0.36 -0.47 1.39 3.04 -0.68 -1.14 116.94 118.93 1lj1 h PHE 193 Ca 0.07 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.06 1lj1 h PHE 193 Cb 0.00 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1lj1 h PHE 193 CO -0.08 -0.21 0.27 1.49 -2.02 0.00 0.00 178.31 177.76 1lj1 h GLU 194 N -0.19 0.52 -0.50 1.11 4.81 -1.04 -1.71 114.58 117.58 1lj1 h GLU 194 Ca 0.08 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1lj1 h GLU 194 Cb 0.30 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1lj1 h GLU 194 CO -0.21 0.35 0.25 -0.44 -0.73 0.00 0.00 179.01 178.22 1lj1 h ASP 195 N 0.54 0.35 0.08 1.04 3.45 -0.69 -2.30 116.42 118.88 1lj1 h ASP 195 Ca 0.19 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 1lj1 h ASP 195 Cb 0.03 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1lj1 h ASP 195 CO -0.09 0.24 -0.04 0.74 -1.57 0.00 0.00 179.24 178.52 1lj1 h THR 196 N 0.48 0.96 -0.39 0.35 2.02 -0.96 0.21 112.91 115.58 1lj1 h THR 196 Ca 0.22 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1lj1 h THR 196 Cb 0.15 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1lj1 h THR 196 CO -0.17 0.03 0.24 0.24 0.37 0.00 0.00 175.52 176.23 1lj1 h MET 197 N -0.15 0.52 -0.43 6.66 2.86 -1.26 -1.23 114.93 121.90 1lj1 h MET 197 Ca -0.01 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1lj1 h MET 197 Cb 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1lj1 h MET 197 CO 0.02 0.38 -0.11 -0.22 1.06 0.00 0.00 176.91 178.04 1lj1 h LYS 198 N 0.51 0.78 -0.62 1.72 1.63 -1.30 0.60 116.57 119.89 1lj1 h LYS 198 Ca 0.14 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1lj1 h LYS 198 Cb -0.01 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 1lj1 h LYS 198 CO -0.03 0.85 0.34 0.78 -3.45 0.00 0.00 179.45 177.94 1lj1 h GLY 199 N 0.97 0.92 -1.76 5.01 0.00 -0.03 -1.98 103.07 106.20 1lj1 h GLY 199 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1lj1 h GLY 199 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1lj1 n GLY 200 N -1.24 1.50 2.70 4.60 0.00 -0.51 -4.33 105.19 107.90 1lj1 n GLY 200 Ca 0.06 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 1lj1 n GLY 200 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lj1 n GLN 201 N 0.36 -2.97 -2.35 1.61 6.02 -0.74 -2.19 117.38 117.10 1lj1 n GLN 201 Ca 0.12 0.85 -0.16 0.00 -0.01 0.00 0.00 57.00 57.79 1lj1 n GLN 201 Cb 0.51 -5.57 -0.01 0.00 1.02 0.00 0.00 30.24 26.19 1lj1 n GLN 201 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1lj1 n ASN 202 N -2.16 -4.85 0.04 1.08 3.02 0.19 -4.86 115.26 107.72 1lj1 n ASN 202 Ca -0.16 0.12 0.04 0.00 -0.03 0.00 0.00 54.58 54.54 1lj1 n ASN 202 Cb 0.64 -4.09 -0.07 0.00 -0.61 0.00 0.00 39.78 35.65 1lj1 n ASN 202 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1lj1 n ILE 203 N -3.57 0.92 -1.58 2.41 2.08 -0.93 -4.96 119.36 113.73 1lj1 n ILE 203 Ca -0.19 -0.64 -0.38 0.00 0.56 0.00 0.00 62.75 62.09 1lj1 n ILE 203 Cb 0.64 -0.54 0.05 0.00 -0.75 0.00 0.00 39.64 39.04 1lj1 n ILE 203 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1lj1 n ASN 204 N -2.76 0.34 -4.62 4.38 5.03 -1.26 -4.75 115.26 111.62 1lj1 n ASN 204 Ca -0.08 0.81 -0.43 0.00 0.87 0.00 0.00 54.58 55.75 1lj1 n ASN 204 Cb 0.75 -1.33 -0.02 0.00 -1.02 0.00 0.00 39.78 38.16 1lj1 n ASN 204 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1lj1 s ASP 205 N -1.19 6.72 0.44 6.41 3.68 -0.12 -4.90 116.67 127.72 1lj1 s ASP 205 Ca 0.73 0.86 0.16 0.00 2.13 0.00 0.00 52.55 56.43 1lj1 s ASP 205 Cb -0.44 -2.54 1.08 0.00 -1.45 0.00 0.00 42.92 39.57 1lj1 s ASP 205 CO 0.50 -1.10 1.95 -0.65 0.13 0.00 0.00 175.17 176.00 1lj1 h PRO 206 N 8.95 0.36 -0.22 4.34 0.11 -1.90 -1.23 132.00 142.42 1lj1 h PRO 206 Ca -0.23 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.71 1lj1 h PRO 206 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1lj1 h PRO 206 CO 1.07 0.24 -0.49 0.00 -0.21 0.00 0.00 178.00 178.61 1lj1 h ALA 207 N 1.67 0.74 -0.12 -0.75 0.00 -1.96 -1.66 119.26 117.19 1lj1 h ALA 207 Ca 0.32 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1lj1 h ALA 207 Cb 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1lj1 h ALA 207 CO -0.09 0.67 -0.67 -0.07 0.00 0.00 0.00 179.25 179.09 1lj1 h LEU 208 N 0.46 0.55 -1.15 0.00 3.38 -1.71 -2.89 115.31 113.96 1lj1 h LEU 208 Ca 0.02 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1lj1 h LEU 208 Cb 1.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1lj1 h LEU 208 CO 0.09 1.07 -0.38 0.58 0.09 0.00 0.00 178.44 179.90 1lj1 h VAL 209 N 0.34 1.28 -0.39 1.22 2.07 -1.09 -1.63 116.25 118.05 1lj1 h VAL 209 Ca -0.02 -1.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.03 1lj1 h VAL 209 Cb 1.23 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1lj1 h VAL 209 CO 0.12 0.39 -0.23 0.50 0.02 0.00 0.00 177.57 178.37 1lj1 h LYS 210 N 0.07 0.79 -0.39 1.57 3.11 -1.25 0.18 116.57 120.64 1lj1 h LYS 210 Ca 0.01 -0.32 -0.03 0.00 -2.81 0.00 0.00 60.65 57.49 1lj1 h LYS 210 Cb 0.71 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 1lj1 h LYS 210 CO 0.05 0.94 0.12 0.28 -2.81 0.00 0.00 179.45 178.04 1lj1 h VAL 211 N 0.68 1.21 -0.18 2.00 2.07 -1.24 -1.01 116.25 119.80 1lj1 h VAL 211 Ca 0.09 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1lj1 h VAL 211 Cb 0.75 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1lj1 h VAL 211 CO 0.06 0.25 -0.07 0.25 0.02 0.00 0.00 177.57 178.07 1lj1 h LEU 212 N 0.49 -0.25 -0.05 2.57 5.85 -0.67 -1.84 115.31 121.42 1lj1 h LEU 212 Ca 0.13 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1lj1 h LEU 212 Cb 0.26 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1lj1 h LEU 212 CO -0.00 -0.10 -0.38 0.77 -0.34 0.00 0.00 178.44 178.39 1lj1 h SER 213 N -0.05 0.41 0.47 1.25 4.64 -0.89 -3.20 113.55 116.19 1lj1 h SER 213 Ca 0.09 -0.69 -0.07 0.00 -0.47 0.00 0.00 61.79 60.65 1lj1 h SER 213 Cb 0.19 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1lj1 h SER 213 CO -0.21 1.04 -0.34 0.77 -0.87 0.00 0.00 176.83 177.22 1lj1 h SER 214 N -0.18 0.00 0.14 4.97 4.64 -1.17 -2.93 113.55 119.02 1lj1 h SER 214 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1lj1 h SER 214 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1lj1 h SER 214 CO 0.08 0.34 -0.22 1.41 -0.87 0.00 0.00 176.83 177.57 1lj1 n HIS 215 N -3.90 0.00 -0.28 4.77 8.25 -0.69 -4.54 115.22 118.82 1lj1 n HIS 215 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 1lj1 n HIS 215 Cb 0.41 -0.07 0.06 0.00 1.12 0.00 0.00 29.99 31.51 1lj1 n HIS 215 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1lj1 h SER 216 N 1.77 0.96 -0.30 0.41 4.64 -1.51 0.55 113.55 120.08 1lj1 h SER 216 Ca 0.00 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1lj1 h SER 216 Cb 0.56 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1lj1 h SER 216 CO 0.00 0.78 -0.01 0.50 -0.87 0.00 0.00 176.83 177.23 1lj1 h LYS 217 N 1.07 0.54 -0.72 4.77 3.64 -1.79 -2.49 116.57 121.58 1lj1 h LYS 217 Ca 0.27 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1lj1 h LYS 217 Cb 0.03 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 1lj1 h LYS 217 CO -0.04 0.69 0.37 -0.44 -2.27 0.00 0.00 179.45 177.75 1lj1 h ASP 218 N 0.33 0.48 -0.48 4.20 3.32 -1.74 0.49 116.42 123.02 1lj1 h ASP 218 Ca 0.08 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1lj1 h ASP 218 Cb 0.45 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1lj1 h ASP 218 CO 0.02 0.28 0.07 0.28 -1.72 0.00 0.00 179.24 178.17 1lj1 h SER 219 N 0.62 0.82 -0.38 6.45 0.02 -0.70 -0.55 113.55 119.83 1lj1 h SER 219 Ca 0.35 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1lj1 h SER 219 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1lj1 h SER 219 CO -0.26 0.84 -0.08 0.58 -1.14 0.00 0.00 176.83 176.76 1lj1 h VAL 220 N 0.82 1.27 -0.76 2.27 2.07 -0.84 -2.41 116.25 118.67 1lj1 h VAL 220 Ca 0.17 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.59 1lj1 h VAL 220 Cb 0.39 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1lj1 h VAL 220 CO 0.01 0.38 0.46 0.44 0.02 0.00 0.00 177.57 178.88 1lj1 h ASP 221 N 0.52 0.73 -0.22 0.57 3.32 -0.67 -1.48 116.42 119.18 1lj1 h ASP 221 Ca 0.10 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1lj1 h ASP 221 Cb 0.59 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1lj1 h ASP 221 CO 0.04 0.48 0.11 -0.25 -1.72 0.00 0.00 179.24 177.89 1lj1 h TRP 222 N 0.86 0.32 -0.56 4.55 7.01 -1.04 -0.02 115.95 127.07 1lj1 h TRP 222 Ca 0.32 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 1lj1 h TRP 222 Cb 0.12 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1lj1 h TRP 222 CO -0.05 0.31 0.30 0.52 -2.79 0.00 0.00 178.44 176.73 1lj1 h MET 223 N 0.23 0.78 -0.51 2.65 2.86 -1.35 -2.31 114.93 117.29 1lj1 h MET 223 Ca 0.08 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1lj1 h MET 223 Cb 0.11 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1lj1 h MET 223 CO -0.01 0.61 -0.09 1.15 1.06 0.00 0.00 176.91 179.63 1lj1 h THR 224 N 0.75 1.27 -0.23 2.22 2.02 -1.05 -0.48 112.91 117.41 1lj1 h THR 224 Ca 0.20 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1lj1 h THR 224 Cb 0.06 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1lj1 h THR 224 CO -0.03 0.43 0.15 0.00 0.37 0.00 0.00 175.52 176.45 1lj1 h ALA 225 N 0.91 1.99 -0.00 6.16 0.00 -0.82 -0.34 119.26 127.16 1lj1 h ALA 225 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1lj1 h ALA 225 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1lj1 h ALA 225 CO 0.04 -0.03 -0.02 -1.33 0.00 0.00 0.00 179.25 177.92 1lj1 n MET 226 N -4.50 0.70 0.00 0.00 2.81 -0.83 -4.89 117.12 110.41 1lj1 n MET 226 Ca 0.01 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1lj1 n MET 226 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1lj1 n MET 226 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lj1 n GLY 227 N 1.18 1.23 3.83 3.03 0.00 -0.14 -4.91 105.19 109.40 1lj1 n GLY 227 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1lj1 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 s ALA 228 N -2.00 3.11 -0.45 4.61 0.00 -0.25 -4.97 121.76 121.82 1lj1 s ALA 228 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 1lj1 s ALA 228 Cb 0.00 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.16 1lj1 s ALA 228 CO 0.00 0.15 0.31 0.34 0.00 0.00 0.00 175.76 176.57 1lj1 s ASP 229 N -2.27 5.74 -0.20 0.00 -1.08 -1.26 -4.33 116.67 113.27 1lj1 s ASP 229 Ca 0.60 -1.63 0.12 0.00 -0.52 0.00 0.00 52.55 51.12 1lj1 s ASP 229 Cb -0.09 -2.03 0.43 0.00 -1.46 0.00 0.00 42.92 39.77 1lj1 s ASP 229 CO 0.15 -0.61 1.21 0.18 0.52 0.00 0.00 175.17 176.62 1lj1 n LEU 230 N 4.96 2.90 0.20 -1.34 4.77 -1.26 -2.65 117.00 124.58 1lj1 n LEU 230 Ca -0.10 -3.83 0.13 0.00 -0.03 0.00 0.00 56.01 52.17 1lj1 n LEU 230 Cb 0.42 -0.41 0.25 0.00 -2.33 0.00 0.00 43.42 41.35 1lj1 n LEU 230 CO 0.42 1.43 0.84 0.71 -1.33 0.00 0.00 177.39 179.46 1lj1 h THR 231 N 2.00 0.00 -3.33 -5.08 1.35 -1.86 -3.35 112.91 102.64 1lj1 h THR 231 Ca 0.04 -0.86 -0.56 0.00 -0.55 0.00 0.00 66.41 64.48 1lj1 h THR 231 Cb 1.20 1.85 -0.05 0.00 -1.73 0.00 0.00 68.15 69.42 1lj1 h THR 231 CO 0.16 0.00 0.35 -0.62 -0.25 0.00 0.00 175.52 175.16 1lj1 s ASP 232 N -5.82 7.08 -0.17 5.36 2.15 0.55 -4.91 116.67 120.91 1lj1 s ASP 232 Ca 0.07 1.32 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1lj1 s ASP 232 Cb 0.07 -2.48 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 1lj1 s ASP 232 CO 0.64 -0.32 -0.16 -0.69 -0.17 0.00 0.00 175.17 174.47 1lj1 s VAL 233 N 1.64 2.45 0.37 1.11 1.01 -1.26 -0.93 120.40 124.79 1lj1 s VAL 233 Ca 0.42 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1lj1 s VAL 233 Cb -0.18 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1lj1 s VAL 233 CO 0.17 0.51 -0.02 -0.83 0.00 0.00 0.00 175.10 174.94 1lj1 s GLY 234 N 1.13 2.29 0.15 4.51 0.00 0.39 -4.85 107.32 110.93 1lj1 s GLY 234 Ca 0.01 -2.17 -0.14 0.00 0.00 0.00 0.00 44.72 42.42 1lj1 s GLY 234 CO -0.06 -2.01 0.55 -0.29 0.00 0.00 0.00 173.10 171.28 1lj1 s MET 235 N -3.71 3.96 0.29 2.90 -2.45 -1.26 -0.72 119.30 118.31 1lj1 s MET 235 Ca 0.34 0.47 0.02 0.00 -1.25 0.00 0.00 55.69 55.27 1lj1 s MET 235 Cb 0.07 -2.92 -0.05 0.00 1.25 0.00 0.00 34.83 33.19 1lj1 s MET 235 CO 0.17 0.47 0.12 -1.64 1.05 0.00 0.00 175.02 175.18 1lj1 s MET 236 N -2.01 1.53 0.47 4.11 -1.94 -1.26 -4.26 119.30 115.95 1lj1 s MET 236 Ca 0.38 -1.86 -0.24 0.00 -1.71 0.00 0.00 55.69 52.27 1lj1 s MET 236 Cb -0.15 -0.29 -0.07 0.00 2.01 0.00 0.00 34.83 36.33 1lj1 s MET 236 CO 0.19 -0.35 1.29 0.20 -0.01 0.00 0.00 175.02 176.34 1lj1 s GLY 237 N -3.37 2.87 -1.18 -0.03 0.00 -1.26 -3.37 107.32 100.97 1lj1 s GLY 237 Ca 0.36 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1lj1 s GLY 237 CO 0.15 1.72 0.00 0.61 0.00 0.00 0.00 173.10 175.58 1lj1 n GLY 238 N 0.61 0.74 3.45 0.20 0.00 -0.92 -4.29 105.19 104.97 1lj1 n GLY 238 Ca 0.07 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1lj1 n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 s ALA 239 N -2.51 2.56 0.18 4.61 0.00 -1.22 -4.87 121.76 120.52 1lj1 s ALA 239 Ca 0.00 -1.13 0.12 0.00 0.00 0.00 0.00 51.96 50.95 1lj1 s ALA 239 Cb 0.00 -0.78 0.30 0.00 0.00 0.00 0.00 23.12 22.64 1lj1 s ALA 239 CO 0.00 0.56 1.56 0.77 0.00 0.00 0.00 175.76 178.66 1lj1 h SER 240 N 4.85 0.00 -5.39 0.00 0.02 -1.93 -3.47 113.55 107.64 1lj1 h SER 240 Ca -0.47 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 1lj1 h SER 240 Cb 1.15 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.57 1lj1 h SER 240 CO 0.48 0.63 -0.35 0.68 -1.14 0.00 0.00 176.83 177.12 1lj1 s VAL 241 N -3.38 0.01 0.09 2.27 -7.23 -1.26 -5.12 120.40 105.77 1lj1 s VAL 241 Ca -0.00 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 1lj1 s VAL 241 Cb 0.11 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 1lj1 s VAL 241 CO 0.75 -0.05 1.68 0.20 -0.31 0.00 0.00 175.10 177.38 1lj1 s ASN 242 N -3.07 6.56 0.00 4.85 -0.87 -1.26 -4.83 114.94 116.33 1lj1 s ASN 242 Ca 0.28 2.56 0.00 0.00 -1.57 0.00 0.00 52.86 54.13 1lj1 s ASN 242 Cb 0.03 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1lj1 s ASN 242 CO 0.09 -0.90 0.45 -2.11 -2.57 0.00 0.00 177.10 172.06 1lj1 n ARG 243 N 5.42 0.00 -3.15 -0.60 1.85 -0.84 -4.84 116.66 114.51 1lj1 n ARG 243 Ca 0.16 -0.32 -0.43 0.00 -1.00 0.00 0.00 57.85 56.26 1lj1 n ARG 243 Cb 0.40 -0.22 -0.07 0.00 -1.05 0.00 0.00 32.46 31.53 1lj1 n ARG 243 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1lj1 s ALA 244 N 0.00 3.37 0.26 2.89 0.00 0.11 -2.92 121.76 125.47 1lj1 s ALA 244 Ca 0.00 -1.57 -0.24 0.00 0.00 0.00 0.00 51.96 50.15 1lj1 s ALA 244 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1lj1 s ALA 244 CO 0.00 -1.93 0.84 -1.01 0.00 0.00 0.00 175.76 173.66 1lj1 s HIS 245 N 2.69 3.73 0.24 0.00 3.76 0.14 -0.47 115.29 125.37 1lj1 s HIS 245 Ca 0.17 1.64 -0.22 0.00 -0.15 0.00 0.00 55.06 56.50 1lj1 s HIS 245 Cb -0.17 -2.80 0.05 0.00 1.11 0.00 0.00 32.58 30.76 1lj1 s HIS 245 CO 0.14 0.31 0.84 -0.98 -0.85 0.00 0.00 174.74 174.21 1lj1 s ARG 246 N -1.84 1.59 0.87 1.40 1.70 -0.10 -1.51 118.95 121.05 1lj1 s ARG 246 Ca 0.45 -0.91 -0.11 0.00 -0.47 0.00 0.00 55.73 54.69 1lj1 s ARG 246 Cb -0.19 0.52 0.12 0.00 -0.57 0.00 0.00 34.95 34.83 1lj1 s ARG 246 CO 0.24 -0.73 1.16 -2.14 -1.08 0.00 0.00 175.30 172.75 1lj1 s PRO 247 N -3.34 1.26 0.16 3.89 0.02 -1.09 -0.33 135.00 135.57 1lj1 s PRO 247 Ca 0.13 1.61 -0.34 0.00 0.02 0.00 0.00 61.00 62.42 1lj1 s PRO 247 Cb -0.04 -1.75 -0.16 0.00 0.02 0.00 0.00 34.50 32.57 1lj1 s PRO 247 CO 0.06 -2.47 1.20 2.41 -0.33 0.00 0.00 177.00 177.87 1lj1 n THR 248 N -3.91 0.71 0.00 0.99 -1.04 -1.26 -1.72 114.28 108.05 1lj1 n THR 248 Ca 0.12 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1lj1 n THR 248 Cb 0.52 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1lj1 n THR 248 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lj1 n GLY 249 N 2.12 2.78 0.42 3.41 0.00 -1.26 -4.22 105.19 108.44 1lj1 n GLY 249 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1lj1 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj1 n GLY 250 N -2.00 1.57 3.77 -0.02 0.00 -0.70 -1.57 105.19 106.24 1lj1 n GLY 250 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1lj1 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 s ALA 251 N -2.02 1.74 0.06 4.61 0.00 -1.22 -2.48 121.76 122.44 1lj1 s ALA 251 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.20 1lj1 s ALA 251 Cb 0.00 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 1lj1 s ALA 251 CO 0.00 -2.28 1.65 0.20 0.00 0.00 0.00 175.76 175.33 1lj1 s GLY 252 N -3.93 1.57 0.29 0.00 0.00 -1.26 -4.25 107.32 99.73 1lj1 s GLY 252 Ca 0.64 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.54 1lj1 s GLY 252 CO 0.54 2.89 1.81 -0.24 0.00 0.00 0.00 173.10 178.10 1lj1 h VAL 253 N 4.88 1.22 0.71 1.40 3.04 -1.54 -3.36 116.25 122.60 1lj1 h VAL 253 Ca -0.42 -0.89 -0.03 0.00 -1.01 0.00 0.00 66.70 64.34 1lj1 h VAL 253 Cb 1.20 0.86 0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1lj1 h VAL 253 CO 0.93 0.32 -0.34 1.23 -1.01 0.00 0.00 177.57 178.69 1lj1 h GLY 254 N 0.93 -0.99 0.97 3.17 0.00 -1.39 -1.07 103.07 104.69 1lj1 h GLY 254 Ca 0.14 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.89 1lj1 h GLY 254 CO 0.01 -0.36 0.55 0.00 0.00 0.00 0.00 176.54 176.74 1lj1 h ALA 255 N -1.50 1.55 0.48 3.60 0.00 -1.61 -2.17 119.26 119.61 1lj1 h ALA 255 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1lj1 h ALA 255 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1lj1 h ALA 255 CO 0.16 0.34 -0.23 1.25 0.00 0.00 0.00 179.25 180.77 1lj1 h HIS 256 N 0.96 -0.60 -0.86 0.00 6.17 -1.70 -2.28 115.15 116.85 1lj1 h HIS 256 Ca 0.35 -0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.53 1lj1 h HIS 256 Cb 0.16 0.20 -0.08 0.00 2.52 0.00 0.00 27.41 30.21 1lj1 h HIS 256 CO -0.00 -0.27 0.49 0.28 0.71 0.00 0.00 177.93 179.13 1lj1 h VAL 257 N -0.95 0.86 -0.06 5.26 2.07 -1.06 -1.59 116.25 120.78 1lj1 h VAL 257 Ca -0.07 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1lj1 h VAL 257 Cb 0.59 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1lj1 h VAL 257 CO 0.11 0.14 -0.44 0.58 0.02 0.00 0.00 177.57 177.98 1lj1 h VAL 258 N 0.77 1.32 -0.37 2.57 2.07 -1.42 -1.86 116.25 119.34 1lj1 h VAL 258 Ca 0.43 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1lj1 h VAL 258 Cb 0.47 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1lj1 h VAL 258 CO -0.28 0.45 0.03 -0.61 0.02 0.00 0.00 177.57 177.18 1lj1 h GLN 259 N 0.11 0.63 -0.10 1.57 5.75 -0.78 -0.79 115.11 121.50 1lj1 h GLN 259 Ca 0.01 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1lj1 h GLN 259 Cb 0.82 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1lj1 h GLN 259 CO 0.06 0.71 0.07 0.28 -2.65 0.00 0.00 178.83 177.30 1lj1 h VAL 260 N 0.46 1.03 -0.79 2.39 2.07 -1.20 -1.14 116.25 119.07 1lj1 h VAL 260 Ca 0.11 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1lj1 h VAL 260 Cb 0.41 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1lj1 h VAL 260 CO 0.01 0.03 0.38 -0.07 0.02 0.00 0.00 177.57 177.95 1lj1 h LEU 261 N 0.13 1.03 -0.26 2.57 3.38 -1.22 -1.84 115.31 119.11 1lj1 h LEU 261 Ca 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1lj1 h LEU 261 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1lj1 h LEU 261 CO -0.01 0.87 0.02 0.22 0.09 0.00 0.00 178.44 179.63 1lj1 h TYR 262 N 1.11 0.47 -0.80 1.13 3.20 -1.02 -0.11 116.97 120.97 1lj1 h TYR 262 Ca 0.27 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1lj1 h TYR 262 Cb 0.11 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 1lj1 h TYR 262 CO 0.01 0.58 0.50 -0.44 -1.64 0.00 0.00 178.16 177.18 1lj1 h ASP 263 N 0.23 0.83 -0.57 -2.11 3.45 -1.09 -0.87 116.42 116.29 1lj1 h ASP 263 Ca 0.07 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.42 1lj1 h ASP 263 Cb 0.38 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1lj1 h ASP 263 CO 0.01 0.57 -0.08 0.78 -1.57 0.00 0.00 179.24 178.95 1lj1 h ASN 264 N 0.98 1.05 -0.59 6.45 2.35 -1.14 -1.68 115.58 123.01 1lj1 h ASN 264 Ca 0.32 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1lj1 h ASN 264 Cb 0.03 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1lj1 h ASN 264 CO -0.12 1.14 0.23 0.00 -1.65 0.00 0.00 177.43 177.03 1lj1 h ALA 265 N 0.95 0.76 -0.95 -0.83 0.00 -0.31 -2.74 119.26 116.15 1lj1 h ALA 265 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1lj1 h ALA 265 Cb 0.65 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1lj1 h ALA 265 CO 0.04 0.39 0.60 0.28 0.00 0.00 0.00 179.25 180.56 1lj1 h VAL 266 N 0.81 1.25 0.00 0.00 2.07 -1.09 -1.75 116.25 117.55 1lj1 h VAL 266 Ca 0.20 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1lj1 h VAL 266 Cb 0.21 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1lj1 h VAL 266 CO -0.01 0.25 -0.17 0.11 0.02 0.00 0.00 177.57 177.77 1lj1 h LYS 267 N 1.29 0.00 -0.35 1.57 1.57 -1.05 -1.07 116.57 118.54 1lj1 h LYS 267 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1lj1 h LYS 267 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1lj1 h LYS 267 CO -0.07 0.17 0.00 0.54 -0.57 0.00 0.00 179.45 179.52 1lj1 n ARG 268 N -4.25 2.02 -3.83 3.15 1.74 -0.89 -4.94 116.66 109.66 1lj1 n ARG 268 Ca -0.02 -1.56 -0.28 0.00 -0.77 0.00 0.00 57.85 55.21 1lj1 n ARG 268 Cb 0.24 -1.39 0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1lj1 n ARG 268 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1lj1 n ASN 269 N 0.77 -5.04 -4.70 0.55 4.13 -0.41 -4.91 115.26 105.66 1lj1 n ASN 269 Ca 0.16 -0.72 -0.42 0.00 1.68 0.00 0.00 54.58 55.28 1lj1 n ASN 269 Cb 0.40 -4.18 -0.03 0.00 -1.54 0.00 0.00 39.78 34.43 1lj1 n ASN 269 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1lj1 s ILE 270 N -3.32 3.62 -0.54 2.41 1.01 -0.71 -4.92 121.20 118.75 1lj1 s ILE 270 Ca 0.61 1.07 -0.27 0.00 0.00 0.00 0.00 60.65 62.06 1lj1 s ILE 270 Cb -0.30 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1lj1 s ILE 270 CO 0.80 0.02 1.98 -0.62 0.00 0.00 0.00 174.94 177.13 1lj1 s ASP 271 N 1.67 5.17 -0.22 3.58 -1.08 -1.26 -4.86 116.67 119.67 1lj1 s ASP 271 Ca 0.64 0.66 -0.05 0.00 -0.52 0.00 0.00 52.55 53.28 1lj1 s ASP 271 Cb -0.33 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.59 1lj1 s ASP 271 CO 0.28 -2.39 0.01 -0.22 0.52 0.00 0.00 175.17 173.37 1lj1 s LEU 272 N 9.47 3.25 -0.17 -1.34 2.96 -1.26 -1.30 118.68 130.29 1lj1 s LEU 272 Ca 0.76 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1lj1 s LEU 272 Cb -0.15 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1lj1 s LEU 272 CO 0.24 0.02 -0.16 -0.13 -1.32 0.00 0.00 176.35 175.00 1lj1 s ARG 273 N 1.24 3.13 0.41 1.98 0.52 -0.37 -4.98 118.95 120.88 1lj1 s ARG 273 Ca 0.04 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1lj1 s ARG 273 Cb -0.15 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 1lj1 s ARG 273 CO 0.01 -0.11 0.61 -1.64 0.02 0.00 0.00 175.30 174.20 1lj1 s MET 274 N 1.11 3.13 -1.57 3.54 -1.94 -1.26 -1.72 119.30 120.58 1lj1 s MET 274 Ca 0.00 -0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 53.27 1lj1 s MET 274 Cb -0.14 -2.63 0.10 0.00 2.01 0.00 0.00 34.83 34.17 1lj1 s MET 274 CO -0.06 -0.15 0.88 0.09 -0.01 0.00 0.00 175.02 175.78 1lj1 n ASN 275 N -1.95 -3.91 -3.82 3.03 3.02 -0.70 -3.92 115.26 107.00 1lj1 n ASN 275 Ca 0.00 -0.87 -0.29 0.00 -0.03 0.00 0.00 54.58 53.39 1lj1 n ASN 275 Cb 0.58 -3.48 -0.16 0.00 -0.61 0.00 0.00 39.78 36.10 1lj1 n ASN 275 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1lj1 s THR 276 N -3.35 1.08 -0.20 3.41 2.01 -0.48 -0.48 115.64 117.62 1lj1 s THR 276 Ca 0.62 -1.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1lj1 s THR 276 Cb -0.32 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1lj1 s THR 276 CO 0.86 -0.32 0.20 -0.60 -0.69 0.00 0.00 174.62 174.07 1lj1 s ARG 277 N 1.57 4.17 0.04 4.92 3.52 -0.37 -2.87 118.95 129.93 1lj1 s ARG 277 Ca 0.01 -0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.17 1lj1 s ARG 277 Cb -0.18 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1lj1 s ARG 277 CO -0.12 0.18 1.22 0.20 -0.81 0.00 0.00 175.30 175.97 1lj1 s GLY 278 N 0.66 2.31 -0.08 8.12 0.00 -1.26 -0.59 107.32 116.47 1lj1 s GLY 278 Ca 0.11 0.83 -0.03 0.00 0.00 0.00 0.00 44.72 45.63 1lj1 s GLY 278 CO 0.02 2.11 -0.10 1.39 0.00 0.00 0.00 173.10 176.52 1lj1 n ILE 279 N 4.08 0.47 -3.67 0.90 2.08 -0.68 -4.94 119.36 117.59 1lj1 n ILE 279 Ca 0.10 -0.14 -0.12 0.00 0.56 0.00 0.00 62.75 63.15 1lj1 n ILE 279 Cb 0.46 -1.35 -0.12 0.00 -0.75 0.00 0.00 39.64 37.88 1lj1 n ILE 279 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1lj1 s GLU 280 N -2.16 0.21 0.17 0.38 2.12 -1.08 -4.80 118.70 113.55 1lj1 s GLU 280 Ca -0.12 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 55.73 1lj1 s GLU 280 Cb 0.04 0.07 -0.08 0.00 0.26 0.00 0.00 34.13 34.42 1lj1 s GLU 280 CO 0.16 -0.26 1.15 0.08 -0.54 0.00 0.00 175.26 175.85 1lj1 s VAL 281 N 2.34 3.73 -0.12 3.70 1.01 -1.26 -1.18 120.40 128.62 1lj1 s VAL 281 Ca -0.01 1.46 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 1lj1 s VAL 281 Cb -0.12 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1lj1 s VAL 281 CO -0.10 0.24 0.02 -0.76 0.00 0.00 0.00 175.10 174.50 1lj1 s LEU 282 N -0.24 3.66 0.15 3.92 1.43 -0.05 -4.90 118.68 122.66 1lj1 s LEU 282 Ca 0.51 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.84 1lj1 s LEU 282 Cb -0.31 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1lj1 s LEU 282 CO 0.35 0.32 -0.22 -0.54 0.23 0.00 0.00 176.35 176.49 1lj1 s LYS 283 N -0.51 1.32 0.00 1.70 1.02 -1.26 -0.76 119.74 121.25 1lj1 s LYS 283 Ca 0.09 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1lj1 s LYS 283 Cb -0.12 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1lj1 s LYS 283 CO 0.02 0.36 0.00 -0.40 -0.92 0.00 0.00 175.35 174.41 1lj1 n ASP 284 N 0.65 0.00 0.03 2.83 5.68 -0.15 -4.79 116.55 120.80 1lj1 n ASP 284 Ca -0.16 -0.71 0.09 0.00 -0.50 0.00 0.00 54.79 53.51 1lj1 n ASP 284 Cb 0.55 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.92 1lj1 n ASP 284 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1lj1 n ASP 285 N -2.13 0.17 -0.98 -1.12 5.75 -1.26 -1.70 116.55 115.27 1lj1 n ASP 285 Ca 0.00 0.54 0.08 0.00 -0.01 0.00 0.00 54.79 55.39 1lj1 n ASP 285 Cb 0.00 -0.58 0.25 0.00 -1.03 0.00 0.00 41.12 39.76 1lj1 n ASP 285 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lj1 n LYS 286 N -1.69 3.15 -1.06 0.11 5.02 -1.26 -4.99 118.16 117.44 1lj1 n LYS 286 Ca 0.04 -2.60 -0.02 0.00 -2.02 0.00 0.00 58.31 53.71 1lj1 n LYS 286 Cb 0.22 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1lj1 n LYS 286 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lj1 n GLY 287 N 0.20 0.56 3.94 0.72 0.00 -0.69 -5.05 105.19 104.86 1lj1 n GLY 287 Ca 0.19 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1lj1 n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lj1 s THR 288 N -1.97 5.24 0.31 2.61 -4.23 -1.26 -4.57 115.64 111.77 1lj1 s THR 288 Ca 0.00 -0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.71 1lj1 s THR 288 Cb 0.00 -3.75 -0.10 0.00 1.34 0.00 0.00 72.50 69.98 1lj1 s THR 288 CO 0.00 -0.18 1.38 0.68 -0.54 0.00 0.00 174.62 175.96 1lj1 s VAL 289 N -1.87 2.57 -0.07 2.29 -7.23 -0.32 -0.98 120.40 114.80 1lj1 s VAL 289 Ca 0.37 0.54 0.01 0.00 -1.81 0.00 0.00 61.98 61.09 1lj1 s VAL 289 Cb -0.11 -3.34 -0.00 0.00 0.56 0.00 0.00 36.38 33.48 1lj1 s VAL 289 CO 0.29 0.12 0.21 2.29 -0.31 0.00 0.00 175.10 177.70 1lj1 n LYS 290 N 1.23 4.06 -3.96 4.82 2.85 0.06 -4.71 118.16 122.50 1lj1 n LYS 290 Ca 0.02 -0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1lj1 n LYS 290 Cb 0.41 -0.71 0.00 0.00 -0.65 0.00 0.00 35.03 34.08 1lj1 n LYS 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1lj1 n GLY 291 N 0.69 -0.78 3.28 2.58 0.00 -1.18 -1.75 105.19 108.02 1lj1 n GLY 291 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1lj1 n GLY 291 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1lj1 s ILE 292 N -3.00 -0.01 -0.04 -0.61 2.07 -0.71 -0.88 121.20 118.02 1lj1 s ILE 292 Ca 0.00 0.05 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1lj1 s ILE 292 Cb 0.00 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 1lj1 s ILE 292 CO 0.00 0.02 0.81 -0.22 -1.91 0.00 0.00 174.94 173.64 1lj1 s LEU 293 N 0.85 4.34 0.29 8.50 2.96 -0.33 -1.95 118.68 133.35 1lj1 s LEU 293 Ca -0.05 1.38 0.08 0.00 -0.22 0.00 0.00 54.13 55.32 1lj1 s LEU 293 Cb -0.06 -3.27 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 1lj1 s LEU 293 CO -0.06 -0.16 -0.08 0.68 -1.32 0.00 0.00 176.35 175.40 1lj1 s VAL 294 N 0.84 1.87 -0.25 1.68 -7.23 0.31 -1.69 120.40 115.93 1lj1 s VAL 294 Ca 0.43 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1lj1 s VAL 294 Cb -0.19 -2.46 0.07 0.00 0.56 0.00 0.00 36.38 34.35 1lj1 s VAL 294 CO 0.22 -0.30 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.92 1lj1 s LYS 295 N -3.67 1.60 -0.07 4.82 2.20 0.24 -2.32 119.74 122.53 1lj1 s LYS 295 Ca 0.30 -1.08 -0.25 0.00 -0.36 0.00 0.00 55.97 54.58 1lj1 s LYS 295 Cb 0.02 -2.62 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1lj1 s LYS 295 CO 0.13 -0.65 0.76 0.20 -0.36 0.00 0.00 175.35 175.44 1lj1 s GLY 296 N 1.35 2.58 0.28 5.54 0.00 -0.15 -1.23 107.32 115.69 1lj1 s GLY 296 Ca -0.04 0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.85 1lj1 s GLY 296 CO -0.07 1.34 1.86 1.98 0.00 0.00 0.00 173.10 178.20 1lj1 h MET 297 N 6.86 1.06 0.00 2.90 4.05 -1.08 -0.91 114.93 127.82 1lj1 h MET 297 Ca -0.39 -0.06 -0.38 0.00 -0.28 0.00 0.00 59.70 58.58 1lj1 h MET 297 Cb 1.19 -0.24 -0.07 0.00 -0.80 0.00 0.00 31.60 31.68 1lj1 h MET 297 CO 0.76 0.70 -2.44 0.66 0.23 0.00 0.00 176.91 176.83 1lj1 n TYR 298 N -4.55 0.02 0.48 1.39 4.02 -1.26 -4.66 117.16 112.59 1lj1 n TYR 298 Ca 0.17 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.18 1lj1 n TYR 298 Cb 0.26 -1.00 0.12 0.00 -0.02 0.00 0.00 39.34 38.71 1lj1 n TYR 298 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1lj1 h LYS 299 N 0.00 0.00 0.00 -0.72 6.56 -1.90 -3.51 116.57 117.00 1lj1 h LYS 299 Ca -0.56 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.03 1lj1 h LYS 299 Cb 2.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.70 1lj1 h LYS 299 CO -0.04 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.76 1lj1 n GLY 300 N 1.31 -1.81 3.78 3.86 0.00 -0.35 -4.90 105.19 107.08 1lj1 n GLY 300 Ca 0.03 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1lj1 n GLY 300 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lj1 s TYR 301 N 0.00 3.47 0.16 1.61 1.51 -1.26 -0.98 117.35 121.87 1lj1 s TYR 301 Ca 0.00 1.71 -0.24 0.00 -1.01 0.00 0.00 57.07 57.53 1lj1 s TYR 301 Cb 0.00 -3.04 0.06 0.00 -0.11 0.00 0.00 41.96 38.87 1lj1 s TYR 301 CO 0.00 -0.25 0.75 1.52 -1.11 0.00 0.00 175.55 176.46 1lj1 s TYR 302 N -1.62 -0.34 0.15 2.71 -0.85 -0.98 -4.86 117.35 111.56 1lj1 s TYR 302 Ca 0.54 0.06 0.09 0.00 -0.52 0.00 0.00 57.07 57.24 1lj1 s TYR 302 Cb -0.21 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 1lj1 s TYR 302 CO 0.27 -0.89 -0.21 1.67 -1.52 0.00 0.00 175.55 174.86 1lj1 s TRP 303 N -3.59 1.99 -0.14 -3.49 1.48 -1.26 -0.53 118.94 113.39 1lj1 s TRP 303 Ca 0.06 -0.42 -0.00 0.00 -1.06 0.00 0.00 56.10 54.68 1lj1 s TRP 303 Cb -0.02 -1.02 -0.01 0.00 -1.16 0.00 0.00 33.47 31.25 1lj1 s TRP 303 CO -0.04 0.35 -0.13 0.08 -4.06 0.00 0.00 176.95 173.14 1lj1 s VAL 304 N -1.64 2.94 -0.08 -0.66 1.01 -0.82 -0.87 120.40 120.29 1lj1 s VAL 304 Ca 0.15 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 1lj1 s VAL 304 Cb -0.08 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1lj1 s VAL 304 CO 0.07 0.52 0.70 -0.75 0.00 0.00 0.00 175.10 175.64 1lj1 s LYS 305 N 0.53 4.42 0.11 2.72 2.20 -0.38 -1.74 119.74 127.60 1lj1 s LYS 305 Ca -0.09 0.87 -0.25 0.00 -0.36 0.00 0.00 55.97 56.15 1lj1 s LYS 305 Cb -0.16 -3.46 0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1lj1 s LYS 305 CO 0.04 0.03 0.66 0.00 -0.36 0.00 0.00 175.35 175.72 1lj1 s ALA 306 N 0.90 -1.65 0.17 3.13 0.00 -0.72 -1.05 121.76 122.54 1lj1 s ALA 306 Ca 0.37 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1lj1 s ALA 306 Cb -0.18 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.71 1lj1 s ALA 306 CO 0.17 -0.72 1.42 -0.44 0.00 0.00 0.00 175.76 176.20 1lj1 h ASP 307 N 2.08 0.53 -4.51 0.00 3.32 -1.57 -3.12 116.42 113.14 1lj1 h ASP 307 Ca -0.31 -0.34 -0.23 0.00 0.02 0.00 0.00 57.03 56.16 1lj1 h ASP 307 Cb 1.28 -0.16 -0.24 0.00 0.22 0.00 0.00 39.33 40.44 1lj1 h ASP 307 CO 0.37 1.09 -0.72 0.00 -1.72 0.00 0.00 179.24 178.26 1lj1 s ALA 308 N -3.64 0.26 -0.08 3.45 0.00 -1.05 -4.61 121.76 116.09 1lj1 s ALA 308 Ca -0.06 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1lj1 s ALA 308 Cb 0.10 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1lj1 s ALA 308 CO 0.85 -0.05 -0.14 0.08 0.00 0.00 0.00 175.76 176.50 1lj1 s VAL 309 N -0.95 1.31 -0.26 0.00 1.01 -0.51 -1.58 120.40 119.42 1lj1 s VAL 309 Ca -0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1lj1 s VAL 309 Cb -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1lj1 s VAL 309 CO -0.00 0.40 0.02 -0.63 0.00 0.00 0.00 175.10 174.89 1lj1 s ILE 310 N 0.75 3.69 -0.25 2.22 1.01 -0.51 -1.86 121.20 126.25 1lj1 s ILE 310 Ca -0.12 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 1lj1 s ILE 310 Cb -0.16 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1lj1 s ILE 310 CO 0.03 0.23 0.58 -0.76 0.00 0.00 0.00 174.94 175.02 1lj1 s LEU 311 N 1.49 4.07 -0.34 2.97 1.02 0.44 -1.41 118.68 126.92 1lj1 s LEU 311 Ca 0.04 0.65 0.15 0.00 0.02 0.00 0.00 54.13 54.99 1lj1 s LEU 311 Cb -0.16 -2.78 0.46 0.00 0.02 0.00 0.00 46.19 43.72 1lj1 s LEU 311 CO -0.00 -0.32 1.02 0.00 0.02 0.00 0.00 176.35 177.06 1lj1 n ALA 312 N 5.54 3.77 1.51 4.21 0.00 -0.48 -2.17 120.51 132.89 1lj1 n ALA 312 Ca -0.02 -3.39 0.14 0.00 0.00 0.00 0.00 53.44 50.17 1lj1 n ALA 312 Cb 0.49 -0.81 0.54 0.00 0.00 0.00 0.00 19.45 19.67 1lj1 n ALA 312 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1lj1 n THR 313 N -0.26 0.00 -3.55 0.00 -2.24 -1.23 -4.39 114.28 102.61 1lj1 n THR 313 Ca 0.17 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1lj1 n THR 313 Cb 0.79 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1lj1 n THR 313 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lj1 n GLY 314 N 1.18 -1.74 0.00 3.38 0.00 -1.26 -4.84 105.19 101.90 1lj1 n GLY 314 Ca 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1lj1 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj1 n GLY 315 N 0.00 1.92 0.74 -0.02 0.00 -1.26 -3.02 105.19 103.54 1lj1 n GLY 315 Ca 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.99 1lj1 n GLY 315 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1lj1 n PHE 316 N -0.57 0.00 0.31 1.61 1.16 -1.25 -3.24 117.46 115.47 1lj1 n PHE 316 Ca 0.00 -1.04 0.16 0.00 -1.87 0.00 0.00 57.45 54.70 1lj1 n PHE 316 Cb 0.00 -0.19 0.72 0.00 -1.61 0.00 0.00 39.48 38.40 1lj1 n PHE 316 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lj1 h ALA 317 N 0.76 1.00 0.00 1.98 0.00 -1.87 -1.82 119.26 119.31 1lj1 h ALA 317 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lj1 h ALA 317 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1lj1 h ALA 317 CO 0.03 0.00 -0.02 -0.22 0.00 0.00 0.00 179.25 179.04 1lj1 h LYS 318 N 0.00 0.00 -5.70 0.00 1.63 -1.58 -3.42 116.57 107.50 1lj1 h LYS 318 Ca 0.00 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.14 1lj1 h LYS 318 Cb 0.33 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.85 1lj1 h LYS 318 CO 0.00 0.02 1.72 1.21 -3.45 0.00 0.00 179.45 178.95 1lj1 s ASN 319 N -6.06 6.74 0.39 4.20 3.84 -0.69 -4.86 114.94 118.50 1lj1 s ASN 319 Ca 0.05 -2.16 0.09 0.00 0.21 0.00 0.00 52.86 51.05 1lj1 s ASN 319 Cb 0.06 -2.53 0.78 0.00 -0.55 0.00 0.00 41.25 39.01 1lj1 s ASN 319 CO 0.63 -1.21 1.91 -1.13 -2.79 0.00 0.00 177.10 174.51 1lj1 h ASN 320 N 8.36 0.23 -0.08 -4.21 -0.00 -1.83 -0.22 115.58 117.83 1lj1 h ASN 320 Ca 0.32 -0.05 -0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1lj1 h ASN 320 Cb 0.93 -0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 39.19 1lj1 h ASN 320 CO 1.38 0.39 0.04 -0.08 -0.00 0.00 0.00 177.43 179.16 1lj1 h GLU 321 N 0.23 0.11 -0.37 6.67 4.81 -1.97 0.61 114.58 124.67 1lj1 h GLU 321 Ca 0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1lj1 h GLU 321 Cb 0.38 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1lj1 h GLU 321 CO 0.02 0.14 0.03 -0.09 -0.73 0.00 0.00 179.01 178.38 1lj1 h ARG 322 N 0.04 0.63 -0.20 1.92 2.43 -1.88 -2.70 114.38 114.62 1lj1 h ARG 322 Ca 0.03 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1lj1 h ARG 322 Cb 0.06 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1lj1 h ARG 322 CO -0.00 0.71 -0.10 0.28 -1.51 0.00 0.00 179.97 179.35 1lj1 h VAL 323 N 0.45 0.67 -0.14 0.20 2.07 -0.79 -2.74 116.25 115.98 1lj1 h VAL 323 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1lj1 h VAL 323 Cb 0.41 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1lj1 h VAL 323 CO 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.56 1lj1 h ALA 324 N 1.08 1.66 -0.86 1.67 0.00 0.34 -0.78 119.26 122.39 1lj1 h ALA 324 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1lj1 h ALA 324 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1lj1 h ALA 324 CO -0.26 0.25 0.50 0.87 0.00 0.00 0.00 179.25 180.62 1lj1 h LYS 325 N 0.21 1.17 0.00 0.00 1.57 -1.18 -1.96 116.57 116.37 1lj1 h LYS 325 Ca 0.05 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 1lj1 h LYS 325 Cb 0.22 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1lj1 h LYS 325 CO 0.01 0.82 -1.32 -0.07 -0.57 0.00 0.00 179.45 178.33 1lj1 h LEU 326 N 1.18 0.00 -6.40 2.94 3.38 -1.11 -3.42 115.31 111.88 1lj1 h LEU 326 Ca 0.31 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.78 1lj1 h LEU 326 Cb -0.03 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.36 1lj1 h LEU 326 CO -0.06 0.81 -0.81 -0.62 0.09 0.00 0.00 178.44 177.85 1lj1 s ASP 327 N -6.17 1.90 0.58 -0.43 3.68 -0.40 -4.86 116.67 110.96 1lj1 s ASP 327 Ca -0.02 -2.15 0.28 0.00 2.13 0.00 0.00 52.55 52.79 1lj1 s ASP 327 Cb 0.09 -0.00 1.57 0.00 -1.45 0.00 0.00 42.92 43.12 1lj1 s ASP 327 CO 0.81 -0.25 2.04 -0.65 0.13 0.00 0.00 175.17 177.24 1lj1 h PRO 328 N 6.67 0.00 0.00 4.34 0.11 -1.60 -0.71 132.00 140.81 1lj1 h PRO 328 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1lj1 h PRO 328 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1lj1 h PRO 328 CO 0.25 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.70 1lj1 h SER 329 N 0.00 0.00 -0.43 -2.05 4.64 -1.95 -2.95 113.55 110.81 1lj1 h SER 329 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1lj1 h SER 329 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1lj1 h SER 329 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1lj1 n LEU 330 N -2.63 3.22 -4.74 5.97 4.77 -0.27 -4.97 117.00 118.34 1lj1 n LEU 330 Ca 0.00 -1.44 -0.42 0.00 -0.03 0.00 0.00 56.01 54.12 1lj1 n LEU 330 Cb 0.18 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1lj1 n LEU 330 CO 0.20 0.72 1.26 -0.75 -1.33 0.00 0.00 177.39 177.49 1lj1 s LYS 331 N -1.45 4.13 0.00 3.23 2.20 -1.12 -2.40 119.74 124.34 1lj1 s LYS 331 Ca 0.39 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 1lj1 s LYS 331 Cb 0.22 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1lj1 s LYS 331 CO 0.30 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1lj1 n GLY 332 N 2.49 1.57 3.79 5.54 0.00 -1.26 -5.05 105.19 112.27 1lj1 n GLY 332 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1lj1 n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lj1 s PHE 333 N -2.85 2.81 0.53 1.61 0.40 -1.01 -5.03 117.98 114.44 1lj1 s PHE 333 Ca 0.00 1.55 -0.17 0.00 -0.60 0.00 0.00 56.93 57.70 1lj1 s PHE 333 Cb 0.00 -3.15 -0.07 0.00 0.51 0.00 0.00 43.02 40.31 1lj1 s PHE 333 CO 0.00 -1.30 1.02 0.42 0.70 0.00 0.00 175.22 176.05 1lj1 s ILE 334 N -2.08 4.11 0.21 0.64 1.01 -1.26 -4.78 121.20 119.04 1lj1 s ILE 334 Ca 0.68 1.10 0.07 0.00 0.00 0.00 0.00 60.65 62.50 1lj1 s ILE 334 Cb -0.20 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1lj1 s ILE 334 CO 0.30 -0.50 0.09 -0.55 0.00 0.00 0.00 174.94 174.28 1lj1 s SER 335 N -2.66 5.14 0.00 3.58 0.15 -1.26 -0.17 113.70 118.48 1lj1 s SER 335 Ca 0.63 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.20 1lj1 s SER 335 Cb -0.13 -1.21 0.52 0.00 -1.71 0.00 0.00 66.02 63.49 1lj1 s SER 335 CO 0.29 0.03 1.42 0.35 1.20 0.00 0.00 173.24 176.53 1lj1 n THR 336 N -0.61 0.00 -2.28 6.45 -2.24 -0.69 -4.87 114.28 110.03 1lj1 n THR 336 Ca -0.08 -0.19 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 1lj1 n THR 336 Cb 0.56 0.70 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 1lj1 n THR 336 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1lj1 s ASN 337 N -2.45 5.93 0.68 3.42 0.02 -1.26 -4.81 114.94 116.47 1lj1 s ASN 337 Ca 0.23 1.01 -0.16 0.00 -1.02 0.00 0.00 52.86 52.92 1lj1 s ASN 337 Cb 0.19 -2.09 0.01 0.00 0.02 0.00 0.00 41.25 39.38 1lj1 s ASN 337 CO 0.52 -0.90 1.17 0.00 0.02 0.00 0.00 177.10 177.90 1lj1 s GLN 338 N -5.01 2.56 0.55 -0.60 1.03 -1.26 -4.92 119.66 112.01 1lj1 s GLN 338 Ca 0.53 1.63 0.27 0.00 0.04 0.00 0.00 55.36 57.83 1lj1 s GLN 338 Cb -0.11 -1.90 1.60 0.00 0.03 0.00 0.00 33.01 32.64 1lj1 s GLN 338 CO 0.48 -1.48 2.16 -1.00 -2.54 0.00 0.00 175.29 172.91 1lj1 h PRO 339 N 0.07 0.00 -0.53 9.60 0.13 -1.98 -2.47 132.00 136.83 1lj1 h PRO 339 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1lj1 h PRO 339 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1lj1 h PRO 339 CO 0.52 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 1lj1 n GLY 340 N -1.04 1.44 2.78 1.56 0.00 -1.26 -4.65 105.19 104.02 1lj1 n GLY 340 Ca -0.02 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1lj1 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 n ALA 341 N 0.73 5.56 0.47 4.61 0.00 -0.93 -4.59 120.51 126.35 1lj1 n ALA 341 Ca 0.16 -4.12 0.05 0.00 0.00 0.00 0.00 53.44 49.53 1lj1 n ALA 341 Cb 0.49 -3.20 0.02 0.00 0.00 0.00 0.00 19.45 16.76 1lj1 n ALA 341 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1lj1 n VAL 342 N 3.95 0.00 -0.17 0.00 0.24 -1.23 -1.51 118.33 119.61 1lj1 n VAL 342 Ca 0.46 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1lj1 n VAL 342 Cb 0.37 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1lj1 n VAL 342 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lj1 n GLY 343 N 0.80 0.91 0.22 7.63 0.00 -1.20 -4.73 105.19 108.82 1lj1 n GLY 343 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1lj1 n GLY 343 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1lj1 h ASP 344 N 0.00 0.16 -0.74 1.61 -0.00 -1.89 -2.11 116.42 113.45 1lj1 h ASP 344 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 56.97 1lj1 h ASP 344 Cb 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.25 1lj1 h ASP 344 CO 0.00 0.38 0.38 1.23 -0.00 0.00 0.00 179.24 181.24 1lj1 h GLY 345 N 0.83 1.15 0.99 7.15 0.00 -1.91 -1.25 103.07 110.02 1lj1 h GLY 345 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1lj1 h GLY 345 CO 0.03 0.51 0.32 1.41 0.00 0.00 0.00 176.54 178.82 1lj1 h LEU 346 N 1.07 0.69 -0.99 3.11 3.38 -1.72 -0.51 115.31 120.35 1lj1 h LEU 346 Ca 0.26 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1lj1 h LEU 346 Cb 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1lj1 h LEU 346 CO -0.04 0.57 0.65 0.44 0.09 0.00 0.00 178.44 180.15 1lj1 h ASP 347 N 0.76 1.10 -0.37 -0.43 3.32 -1.08 0.17 116.42 119.90 1lj1 h ASP 347 Ca 0.20 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1lj1 h ASP 347 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1lj1 h ASP 347 CO -0.03 0.77 0.20 0.58 -1.72 0.00 0.00 179.24 179.04 1lj1 h VAL 348 N 1.29 1.15 -0.15 -1.35 2.07 -0.95 -1.16 116.25 117.14 1lj1 h VAL 348 Ca 0.38 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1lj1 h VAL 348 Cb -0.07 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1lj1 h VAL 348 CO -0.10 0.15 0.10 0.00 0.02 0.00 0.00 177.57 177.74 1lj1 h ALA 349 N 1.06 0.19 -0.67 1.67 0.00 -0.59 -2.60 119.26 118.33 1lj1 h ALA 349 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1lj1 h ALA 349 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1lj1 h ALA 349 CO -0.02 -0.32 0.31 0.93 0.00 0.00 0.00 179.25 180.15 1lj1 h GLU 350 N 0.21 0.97 0.00 0.00 5.08 -0.84 -1.73 114.58 118.26 1lj1 h GLU 350 Ca 0.06 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1lj1 h GLU 350 Cb -0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1lj1 h GLU 350 CO -0.01 0.78 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.84 1lj1 h ASN 351 N 0.93 0.00 0.02 1.42 2.35 -1.13 -0.13 115.58 119.03 1lj1 h ASN 351 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1lj1 h ASN 351 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1lj1 h ASN 351 CO -0.03 0.03 -0.01 0.00 -1.65 0.00 0.00 177.43 175.76 1lj1 n ALA 352 N -2.18 2.63 0.00 -0.83 0.00 -0.89 -4.92 120.51 114.32 1lj1 n ALA 352 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1lj1 n ALA 352 Cb 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1lj1 n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lj1 n GLY 353 N 1.14 0.47 3.77 0.00 0.00 -0.06 -5.07 105.19 105.43 1lj1 n GLY 353 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1lj1 n GLY 353 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lj1 s GLY 354 N -1.45 2.85 0.25 -0.02 0.00 -0.70 -4.14 107.32 104.10 1lj1 s GLY 354 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.65 1lj1 s GLY 354 CO 0.00 1.41 0.41 0.00 0.00 0.00 0.00 173.10 174.92 1lj1 s ALA 355 N -1.46 3.85 0.32 3.20 0.00 -0.36 -4.12 121.76 123.20 1lj1 s ALA 355 Ca 0.57 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1lj1 s ALA 355 Cb -0.29 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 1lj1 s ALA 355 CO 0.36 0.26 0.23 -0.51 0.00 0.00 0.00 175.76 176.10 1lj1 s LEU 356 N -3.80 3.53 -0.02 0.00 1.43 -1.26 -0.80 118.68 117.76 1lj1 s LEU 356 Ca 0.37 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 1lj1 s LEU 356 Cb -0.10 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.07 1lj1 s LEU 356 CO 0.31 -0.28 0.44 -1.59 0.23 0.00 0.00 176.35 175.46 1lj1 s LYS 357 N -3.92 0.83 -1.68 1.70 -2.85 0.18 -4.83 119.74 109.16 1lj1 s LYS 357 Ca 0.39 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 1lj1 s LYS 357 Cb -0.05 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1lj1 s LYS 357 CO 0.25 -0.25 0.00 -0.25 0.10 0.00 0.00 175.35 175.20 1lj1 n ASP 358 N 1.06 -5.33 0.30 0.03 8.00 -1.26 -1.26 116.55 118.09 1lj1 n ASP 358 Ca -0.20 0.10 0.18 0.00 0.71 0.00 0.00 54.79 55.58 1lj1 n ASP 358 Cb 0.57 -4.41 0.95 0.00 -0.02 0.00 0.00 41.12 38.20 1lj1 n ASP 358 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1lj1 h MET 359 N 0.00 0.00 0.00 -1.24 2.86 -1.91 -2.87 114.93 111.77 1lj1 h MET 359 Ca -0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1lj1 h MET 359 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1lj1 h MET 359 CO 0.53 0.03 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1lj1 n GLN 360 N -3.34 0.21 -2.91 1.72 0.00 -1.26 -4.66 117.38 107.14 1lj1 n GLN 360 Ca -0.02 0.27 -0.43 0.00 0.00 0.00 0.00 57.00 56.82 1lj1 n GLN 360 Cb 0.16 -1.79 -0.04 0.00 0.00 0.00 0.00 30.24 28.57 1lj1 n GLN 360 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1lj1 s TYR 361 N -3.16 2.81 -0.13 2.61 2.02 -1.09 -4.76 117.35 115.64 1lj1 s TYR 361 Ca 0.09 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1lj1 s TYR 361 Cb 0.12 -4.04 -0.01 0.00 -0.40 0.00 0.00 41.96 37.63 1lj1 s TYR 361 CO 0.51 -1.38 -0.17 0.42 -1.57 0.00 0.00 175.55 173.36 1lj1 s ILE 362 N 3.72 2.64 -0.25 2.71 1.01 -1.26 -2.65 121.20 127.13 1lj1 s ILE 362 Ca 0.25 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 1lj1 s ILE 362 Cb -0.15 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1lj1 s ILE 362 CO 0.15 0.53 1.23 0.12 0.00 0.00 0.00 174.94 176.97 1lj1 s PHE 363 N 0.54 2.87 -0.37 3.97 5.99 -0.42 -5.00 117.98 125.56 1lj1 s PHE 363 Ca -0.11 1.02 -0.13 0.00 0.00 0.00 0.00 56.93 57.71 1lj1 s PHE 363 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 43.02 39.19 1lj1 s PHE 363 CO 0.04 -1.47 0.25 0.00 -0.00 0.00 0.00 175.22 174.04 1lj1 s ALA 364 N 3.86 3.44 0.09 11.12 0.00 -1.26 -1.47 121.76 137.54 1lj1 s ALA 364 Ca 0.53 -1.55 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1lj1 s ALA 364 Cb -0.18 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 1lj1 s ALA 364 CO 0.17 -1.19 1.11 -1.58 0.00 0.00 0.00 175.76 174.27 1lj1 s HIS 365 N 1.67 3.55 0.21 0.00 2.46 -0.36 -4.59 115.29 118.23 1lj1 s HIS 365 Ca 0.05 1.50 0.17 0.00 0.47 0.00 0.00 55.06 57.25 1lj1 s HIS 365 Cb -0.18 -3.30 0.64 0.00 -0.13 0.00 0.00 32.58 29.61 1lj1 s HIS 365 CO 0.09 -0.74 1.72 -1.00 -2.47 0.00 0.00 174.74 172.34 1lj1 h PRO 366 N 6.15 0.00 -2.75 2.88 0.13 -1.87 -0.92 132.00 135.63 1lj1 h PRO 366 Ca -0.42 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 1lj1 h PRO 366 Cb 1.21 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.93 1lj1 h PRO 366 CO 0.77 0.42 -0.59 0.25 -0.23 0.00 0.00 178.00 178.62 1lj1 n THR 367 N -3.63 1.85 -3.04 1.56 -2.24 -1.26 -2.75 114.28 104.76 1lj1 n THR 367 Ca -0.01 -4.97 -0.37 0.00 -2.27 0.00 0.00 64.05 56.44 1lj1 n THR 367 Cb 0.52 -2.15 -0.06 0.00 -2.10 0.00 0.00 70.33 66.54 1lj1 n THR 367 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lj1 s LEU 368 N -1.81 4.37 -0.01 3.22 1.02 -0.45 -1.12 118.68 123.90 1lj1 s LEU 368 Ca 0.30 1.50 -0.30 0.00 0.02 0.00 0.00 54.13 55.65 1lj1 s LEU 368 Cb 0.03 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.57 1lj1 s LEU 368 CO -0.11 0.03 1.32 -0.55 0.02 0.00 0.00 176.35 177.06 1lj1 s SER 369 N -1.60 6.93 0.13 2.29 0.15 0.02 -1.54 113.70 120.08 1lj1 s SER 369 Ca 0.43 2.03 -0.16 0.00 0.70 0.00 0.00 55.95 58.95 1lj1 s SER 369 Cb -0.18 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1lj1 s SER 369 CO 0.22 -0.66 1.68 0.58 1.20 0.00 0.00 173.24 176.27 1lj1 h VAL 370 N 4.88 1.19 0.12 4.45 2.07 -1.62 -0.07 116.25 127.27 1lj1 h VAL 370 Ca -0.37 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1lj1 h VAL 370 Cb 1.18 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1lj1 h VAL 370 CO 0.89 0.21 -0.06 0.50 0.02 0.00 0.00 177.57 179.12 1lj1 h LYS 371 N 0.47 -0.16 0.00 1.57 3.64 -1.91 -3.35 116.57 116.84 1lj1 h LYS 371 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1lj1 h LYS 371 Cb 0.17 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1lj1 h LYS 371 CO -0.01 0.14 -0.69 0.41 -2.27 0.00 0.00 179.45 177.03 1lj1 n GLY 372 N -0.34 -1.35 2.35 5.01 0.00 -1.23 -4.99 105.19 104.63 1lj1 n GLY 372 Ca -0.09 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 1lj1 n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj1 n GLY 373 N 1.37 -0.07 3.25 -0.02 0.00 -0.04 -4.87 105.19 104.81 1lj1 n GLY 373 Ca 0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1lj1 n GLY 373 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lj1 s VAL 374 N -2.83 1.30 0.50 1.61 -7.23 -1.25 -4.89 120.40 107.61 1lj1 s VAL 374 Ca 0.00 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 1lj1 s VAL 374 Cb 0.00 -1.69 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 1lj1 s VAL 374 CO 0.00 -0.56 1.38 0.80 -0.31 0.00 0.00 175.10 176.41 1lj1 n MET 375 N 0.17 1.92 -4.23 4.82 0.00 -1.26 -0.80 117.12 117.74 1lj1 n MET 375 Ca -0.13 0.70 -0.34 0.00 -0.00 0.00 0.00 57.70 57.93 1lj1 n MET 375 Cb 0.59 -2.59 -0.15 0.00 0.00 0.00 0.00 33.22 31.06 1lj1 n MET 375 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1lj1 s VAL 376 N -1.25 2.66 0.50 1.12 1.01 -0.27 -4.82 120.40 119.36 1lj1 s VAL 376 Ca 0.67 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 1lj1 s VAL 376 Cb -0.43 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1lj1 s VAL 376 CO 0.53 0.50 1.36 0.28 0.00 0.00 0.00 175.10 177.76 1lj1 s THR 377 N 1.14 2.20 0.56 3.92 -1.32 -1.26 -4.73 115.64 116.15 1lj1 s THR 377 Ca 0.01 0.16 0.35 0.00 -1.21 0.00 0.00 61.69 61.00 1lj1 s THR 377 Cb -0.14 -3.09 0.38 0.00 -1.51 0.00 0.00 72.50 68.14 1lj1 s THR 377 CO -0.05 0.01 2.25 -0.08 -2.21 0.00 0.00 174.62 174.54 1lj1 h GLU 378 N 1.84 0.00 0.00 7.08 4.81 -1.98 -2.18 114.58 124.15 1lj1 h GLU 378 Ca -0.51 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1lj1 h GLU 378 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1lj1 h GLU 378 CO 0.59 0.02 -0.01 0.00 -0.73 0.00 0.00 179.01 178.88 1lj1 h ALA 379 N 1.98 1.04 -0.59 2.92 0.00 -1.90 -0.75 119.26 121.97 1lj1 h ALA 379 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1lj1 h ALA 379 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1lj1 h ALA 379 CO 0.00 0.02 0.03 0.28 0.00 0.00 0.00 179.25 179.58 1lj1 h VAL 380 N 0.00 1.26 0.14 0.00 2.07 -1.76 -0.22 116.25 117.74 1lj1 h VAL 380 Ca -0.00 -1.08 -0.28 0.00 0.82 0.00 0.00 66.70 66.16 1lj1 h VAL 380 Cb 0.23 0.77 0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1lj1 h VAL 380 CO 0.00 0.39 -1.18 0.03 0.02 0.00 0.00 177.57 176.83 1lj1 h ARG 381 N 0.92 0.55 -0.94 1.57 3.08 -1.39 -1.58 114.38 116.59 1lj1 h ARG 381 Ca 0.17 -0.78 0.15 0.00 0.07 0.00 0.00 59.98 59.59 1lj1 h ARG 381 Cb 0.49 0.27 -0.09 0.00 0.08 0.00 0.00 29.97 30.72 1lj1 h ARG 381 CO 0.02 1.35 0.55 0.78 -1.07 0.00 0.00 179.97 181.61 1lj1 h GLY 382 N 0.13 1.57 1.01 0.04 0.00 -1.09 -0.52 103.07 104.21 1lj1 h GLY 382 Ca -0.19 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1lj1 h GLY 382 CO 0.23 0.03 -0.03 0.70 0.00 0.00 0.00 176.54 177.46 1lj1 n ASN 383 N -4.75 0.26 0.00 0.19 4.13 -0.11 -4.67 115.26 110.31 1lj1 n ASN 383 Ca 0.19 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.77 1lj1 n ASN 383 Cb 0.43 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1lj1 n ASN 383 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lj1 n GLY 384 N 1.18 0.19 3.78 7.41 0.00 -0.21 -4.64 105.19 112.89 1lj1 n GLY 384 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1lj1 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 s ALA 385 N -0.45 2.42 0.37 4.61 0.00 -0.60 -4.83 121.76 123.28 1lj1 s ALA 385 Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.43 1lj1 s ALA 385 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1lj1 s ALA 385 CO 0.00 -1.43 0.21 0.96 0.00 0.00 0.00 175.76 175.50 1lj1 s ILE 386 N -2.61 2.82 -0.07 0.00 -4.36 -0.76 -4.67 121.20 111.55 1lj1 s ILE 386 Ca 0.64 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 59.44 1lj1 s ILE 386 Cb -0.18 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.49 1lj1 s ILE 386 CO 0.48 -0.10 -0.09 -0.76 0.24 0.00 0.00 174.94 174.70 1lj1 s LEU 387 N -3.93 3.03 0.12 0.37 1.43 -1.26 -1.17 118.68 117.27 1lj1 s LEU 387 Ca 0.41 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1lj1 s LEU 387 Cb -0.01 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1lj1 s LEU 387 CO 0.24 0.33 -0.11 0.68 0.23 0.00 0.00 176.35 177.73 1lj1 s VAL 388 N -0.64 1.07 0.28 -1.59 -7.23 -0.42 -4.25 120.40 107.64 1lj1 s VAL 388 Ca 0.09 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1lj1 s VAL 388 Cb -0.11 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.30 1lj1 s VAL 388 CO 0.02 -0.62 0.39 -0.46 -0.31 0.00 0.00 175.10 174.12 1lj1 n ASN 389 N 0.26 0.83 0.32 4.85 0.23 -0.42 -1.23 115.26 120.09 1lj1 n ASN 389 Ca -0.14 -1.63 0.21 0.00 -0.53 0.00 0.00 54.58 52.49 1lj1 n ASN 389 Cb 0.59 -0.23 1.05 0.00 -2.08 0.00 0.00 39.78 39.12 1lj1 n ASN 389 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1lj1 h ARG 390 N 0.00 0.00 -0.00 -3.83 3.08 -1.83 -0.46 114.38 111.34 1lj1 h ARG 390 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1lj1 h ARG 390 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1lj1 h ARG 390 CO 0.17 0.01 -0.08 0.39 -1.07 0.00 0.00 179.97 179.39 1lj1 n GLU 391 N -3.17 0.50 -0.57 0.04 4.71 -1.26 -3.04 120.64 117.84 1lj1 n GLU 391 Ca -0.02 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 1lj1 n GLU 391 Cb 0.14 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 1lj1 n GLU 391 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lj1 n GLY 392 N 1.31 0.66 3.42 0.62 0.00 -0.18 -4.53 105.19 106.49 1lj1 n GLY 392 Ca 0.13 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1lj1 n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lj1 s LYS 393 N -0.96 1.53 0.60 1.61 1.02 -1.26 -3.58 119.74 118.70 1lj1 s LYS 393 Ca 0.00 -1.64 -0.16 0.00 0.02 0.00 0.00 55.97 54.19 1lj1 s LYS 393 Cb 0.00 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 1lj1 s LYS 393 CO 0.00 0.31 1.07 1.03 -0.92 0.00 0.00 175.35 176.84 1lj1 s ARG 394 N -3.28 3.24 0.00 1.68 0.52 -1.26 -1.31 118.95 118.54 1lj1 s ARG 394 Ca 0.25 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.75 1lj1 s ARG 394 Cb -0.05 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1lj1 s ARG 394 CO 0.11 -0.89 0.00 1.97 0.02 0.00 0.00 175.30 176.52 1lj1 n PHE 395 N -1.98 0.00 -3.65 -0.53 1.16 -1.26 -4.90 117.46 106.30 1lj1 n PHE 395 Ca 0.09 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.56 1lj1 n PHE 395 Cb 0.52 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.34 1lj1 n PHE 395 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1lj1 s VAL 396 N 0.00 0.06 -0.38 1.97 0.11 -1.26 -5.06 120.40 115.84 1lj1 s VAL 396 Ca 0.00 -0.51 -0.28 0.00 -2.93 0.00 0.00 61.98 58.26 1lj1 s VAL 396 Cb 0.00 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1lj1 s VAL 396 CO 0.00 -0.28 1.67 0.21 -3.33 0.00 0.00 175.10 173.37 1lj1 s ASN 397 N -2.32 6.00 0.31 3.54 2.47 -1.26 -4.89 114.94 118.78 1lj1 s ASN 397 Ca -0.02 1.05 0.23 0.00 0.42 0.00 0.00 52.86 54.54 1lj1 s ASN 397 Cb 0.00 -2.53 1.12 0.00 -1.45 0.00 0.00 41.25 38.39 1lj1 s ASN 397 CO -0.06 -1.67 1.69 -0.62 -3.72 0.00 0.00 177.10 172.73 1lj1 n GLU 398 N 8.38 0.17 -0.72 0.43 4.71 -1.26 -1.93 120.64 130.41 1lj1 n GLU 398 Ca 0.20 0.56 -0.02 0.00 -0.01 0.00 0.00 57.16 57.90 1lj1 n GLU 398 Cb 0.48 -1.94 0.21 0.00 -1.01 0.00 0.00 31.44 29.17 1lj1 n GLU 398 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1lj1 n ILE 399 N -2.28 2.48 -1.16 -3.67 -5.35 -1.26 -4.87 119.36 103.25 1lj1 n ILE 399 Ca -0.00 -2.65 -0.13 0.00 -0.27 0.00 0.00 62.75 59.70 1lj1 n ILE 399 Cb 0.11 -0.30 0.09 0.00 -1.74 0.00 0.00 39.64 37.80 1lj1 n ILE 399 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1lj1 n THR 400 N -1.06 0.00 -1.96 7.28 5.66 -0.81 -2.18 114.28 121.21 1lj1 n THR 400 Ca 0.30 -0.34 -0.30 0.00 -3.05 0.00 0.00 64.05 60.66 1lj1 n THR 400 Cb 0.98 -1.55 0.01 0.00 -1.55 0.00 0.00 70.33 68.23 1lj1 n THR 400 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1lj1 s THR 401 N -2.10 4.52 0.26 1.09 -4.23 -1.26 -4.28 115.64 109.64 1lj1 s THR 401 Ca 0.32 0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1lj1 s THR 401 Cb -0.02 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 70.27 1lj1 s THR 401 CO 0.23 -1.02 1.79 0.00 -0.54 0.00 0.00 174.62 175.08 1lj1 h ALA 402 N -0.31 1.32 -0.24 3.99 0.00 -1.91 -1.27 119.26 120.84 1lj1 h ALA 402 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1lj1 h ALA 402 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1lj1 h ALA 402 CO 0.62 0.03 0.16 0.38 0.00 0.00 0.00 179.25 180.44 1lj1 h ASP 403 N 0.75 0.27 0.27 0.00 -0.00 -1.94 -1.45 116.42 114.33 1lj1 h ASP 403 Ca 0.46 -0.01 -0.16 0.00 -0.00 0.00 0.00 57.03 57.32 1lj1 h ASP 403 Cb 0.55 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.80 1lj1 h ASP 403 CO -0.31 0.20 -0.62 0.11 -0.00 0.00 0.00 179.24 178.62 1lj1 h LYS 404 N 0.32 0.34 -0.63 4.15 1.57 -1.80 -2.78 116.57 117.74 1lj1 h LYS 404 Ca 0.09 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1lj1 h LYS 404 Cb -0.04 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1lj1 h LYS 404 CO -0.02 0.85 0.26 0.00 -0.57 0.00 0.00 179.45 179.97 1lj1 h ALA 405 N 1.09 0.82 -0.48 3.86 0.00 -1.16 -2.56 119.26 120.83 1lj1 h ALA 405 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1lj1 h ALA 405 Cb 1.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1lj1 h ALA 405 CO 0.10 0.43 -0.14 0.77 0.00 0.00 0.00 179.25 180.41 1lj1 h SER 406 N 0.88 0.96 -0.58 0.00 0.02 -1.17 -2.35 113.55 111.30 1lj1 h SER 406 Ca 0.21 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1lj1 h SER 406 Cb 0.20 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1lj1 h SER 406 CO -0.02 1.11 0.29 0.00 -1.14 0.00 0.00 176.83 177.07 1lj1 h ALA 407 N 0.88 0.75 -0.61 3.77 0.00 -1.46 -2.00 119.26 120.60 1lj1 h ALA 407 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1lj1 h ALA 407 Cb 0.70 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1lj1 h ALA 407 CO 0.05 0.29 0.14 0.00 0.00 0.00 0.00 179.25 179.74 1lj1 h ALA 408 N 1.12 0.80 -0.38 0.00 0.00 -1.31 -1.46 119.26 118.03 1lj1 h ALA 408 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lj1 h ALA 408 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1lj1 h ALA 408 CO -0.03 0.51 0.20 0.82 0.00 0.00 0.00 179.25 180.76 1lj1 h ILE 409 N 0.88 1.15 0.00 0.00 2.04 -1.34 -2.41 117.51 117.84 1lj1 h ILE 409 Ca 0.19 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1lj1 h ILE 409 Cb 0.36 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1lj1 h ILE 409 CO 0.00 0.16 -0.09 -0.07 0.00 0.00 0.00 178.15 178.15 1lj1 h LEU 410 N 0.48 0.00 -0.00 1.44 3.38 -1.00 -1.78 115.31 117.83 1lj1 h LEU 410 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1lj1 h LEU 410 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1lj1 h LEU 410 CO -0.02 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1lj1 n ALA 411 N -2.18 2.26 -2.01 1.53 0.00 -0.58 -4.47 120.51 115.06 1lj1 n ALA 411 Ca -0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 1lj1 n ALA 411 Cb 0.28 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.29 1lj1 n ALA 411 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1lj1 s GLN 412 N -3.00 3.46 -0.03 0.00 -1.52 -0.67 -4.96 119.66 112.93 1lj1 s GLN 412 Ca 0.13 0.50 -0.33 0.00 -1.95 0.00 0.00 55.36 53.71 1lj1 s GLN 412 Cb 0.18 -2.18 -0.12 0.00 -0.22 0.00 0.00 33.01 30.68 1lj1 s GLN 412 CO 0.50 -0.52 1.86 2.41 -0.25 0.00 0.00 175.29 179.29 1lj1 n THR 413 N -2.62 0.53 -0.52 -0.19 -1.04 -1.26 -0.88 114.28 108.30 1lj1 n THR 413 Ca 0.04 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1lj1 n THR 413 Cb 0.55 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 1lj1 n THR 413 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lj1 n GLY 414 N 4.31 0.83 2.40 3.41 0.00 -1.26 -4.16 105.19 110.72 1lj1 n GLY 414 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1lj1 n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lj1 n LYS 415 N -2.00 -1.61 -3.99 1.61 5.02 -0.06 -4.97 118.16 112.16 1lj1 n LYS 415 Ca 0.00 1.00 -0.10 0.00 -2.02 0.00 0.00 58.31 57.19 1lj1 n LYS 415 Cb 0.00 -5.61 -0.04 0.00 -0.02 0.00 0.00 35.03 29.36 1lj1 n LYS 415 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lj1 s SER 416 N -2.12 0.10 0.36 4.39 1.04 -1.25 -4.55 113.70 111.66 1lj1 s SER 416 Ca 0.00 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.36 1lj1 s SER 416 Cb 0.00 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1lj1 s SER 416 CO 0.00 -1.24 0.52 0.00 0.98 0.00 0.00 173.24 173.50 1lj1 n ALA 417 N -0.44 -0.47 -3.36 5.32 0.00 -0.55 -4.68 120.51 116.34 1lj1 n ALA 417 Ca -0.02 -1.59 -0.24 0.00 0.00 0.00 0.00 53.44 51.58 1lj1 n ALA 417 Cb 0.61 1.28 -0.16 0.00 0.00 0.00 0.00 19.45 21.18 1lj1 n ALA 417 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lj1 s TYR 418 N -2.86 1.44 0.20 0.00 2.02 -0.37 -0.28 117.35 117.51 1lj1 s TYR 418 Ca 0.28 -0.50 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 1lj1 s TYR 418 Cb -0.01 -1.04 -0.08 0.00 -0.40 0.00 0.00 41.96 40.42 1lj1 s TYR 418 CO 0.20 -0.25 0.99 -0.51 -1.57 0.00 0.00 175.55 174.42 1lj1 s LEU 419 N 0.55 4.57 -0.08 -1.29 1.43 0.15 -1.30 118.68 122.71 1lj1 s LEU 419 Ca -0.12 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 1lj1 s LEU 419 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1lj1 s LEU 419 CO 0.03 -0.00 -0.20 -0.63 0.23 0.00 0.00 176.35 175.78 1lj1 s ILE 420 N -0.73 1.73 0.34 -0.59 -1.09 -0.32 -1.42 121.20 119.12 1lj1 s ILE 420 Ca 0.44 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.96 1lj1 s ILE 420 Cb -0.27 -1.51 0.03 0.00 -1.58 0.00 0.00 42.46 39.13 1lj1 s ILE 420 CO 0.33 0.49 0.57 2.22 -1.23 0.00 0.00 174.94 177.32 1lj1 n PHE 421 N 3.55 -1.76 -2.91 3.97 -1.74 -1.08 -1.83 117.46 115.66 1lj1 n PHE 421 Ca -0.20 -1.93 0.00 0.00 -0.56 0.00 0.00 57.45 54.76 1lj1 n PHE 421 Cb 0.53 0.65 0.00 0.00 1.52 0.00 0.00 39.48 42.18 1lj1 n PHE 421 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1lj1 n ASP 422 N -1.58 1.56 0.13 5.98 3.85 -1.26 -1.77 116.55 123.45 1lj1 n ASP 422 Ca -0.03 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.17 1lj1 n ASP 422 Cb 0.53 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.51 1lj1 n ASP 422 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1lj1 h ASP 423 N 0.00 0.00 -0.11 -1.12 3.45 -0.84 -2.45 116.42 115.35 1lj1 h ASP 423 Ca 0.00 -0.05 -0.07 0.00 0.43 0.00 0.00 57.03 57.33 1lj1 h ASP 423 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1lj1 h ASP 423 CO 0.00 0.03 -0.22 0.77 -1.57 0.00 0.00 179.24 178.25 1lj1 h SER 424 N 0.00 0.39 -0.13 6.45 4.64 -1.91 -1.26 113.55 121.72 1lj1 h SER 424 Ca 0.00 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 60.76 1lj1 h SER 424 Cb 0.86 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1lj1 h SER 424 CO 0.00 0.87 0.06 0.58 -0.87 0.00 0.00 176.83 177.47 1lj1 h VAL 425 N -0.08 1.12 -0.64 0.95 2.07 -1.88 -2.59 116.25 115.20 1lj1 h VAL 425 Ca 0.01 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1lj1 h VAL 425 Cb 0.80 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 1lj1 h VAL 425 CO 0.05 0.11 0.24 -0.09 0.02 0.00 0.00 177.57 177.90 1lj1 h ARG 426 N 0.09 0.41 0.00 1.57 2.43 -1.34 -2.18 114.38 115.35 1lj1 h ARG 426 Ca 0.05 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1lj1 h ARG 426 Cb 0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1lj1 h ARG 426 CO -0.01 0.27 -0.25 0.87 -1.51 0.00 0.00 179.97 179.34 1lj1 h LYS 427 N 0.42 0.00 0.00 0.20 1.57 -1.22 -2.90 116.57 114.64 1lj1 h LYS 427 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1lj1 h LYS 427 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1lj1 h LYS 427 CO -0.33 0.25 0.00 -1.13 -0.57 0.00 0.00 179.45 177.67 1lj1 n SER 428 N -3.43 0.68 -3.53 0.86 3.41 -0.83 -4.65 113.62 106.14 1lj1 n SER 428 Ca 0.00 0.60 -0.27 0.00 -0.26 0.00 0.00 58.87 58.94 1lj1 n SER 428 Cb 0.44 -0.77 -0.15 0.00 -0.26 0.00 0.00 64.21 63.47 1lj1 n SER 428 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1lj1 s LEU 429 N -4.36 0.40 0.55 1.04 2.96 -1.09 -4.55 118.68 113.62 1lj1 s LEU 429 Ca 0.08 -1.10 0.24 0.00 -0.22 0.00 0.00 54.13 53.13 1lj1 s LEU 429 Cb 0.12 -0.21 1.53 0.00 0.50 0.00 0.00 46.19 48.12 1lj1 s LEU 429 CO 0.51 -0.42 2.18 0.77 -1.32 0.00 0.00 176.35 178.07 1lj1 h SER 430 N 8.39 0.00 -0.76 3.68 4.64 -1.30 -0.69 113.55 127.51 1lj1 h SER 430 Ca -0.18 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1lj1 h SER 430 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1lj1 h SER 430 CO 0.40 0.03 0.51 0.50 -0.87 0.00 0.00 176.83 177.41 1lj1 h LYS 431 N 0.00 0.35 -0.42 4.77 1.63 -1.77 0.97 116.57 122.10 1lj1 h LYS 431 Ca -0.00 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1lj1 h LYS 431 Cb 0.07 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1lj1 h LYS 431 CO 0.00 0.23 0.29 0.82 -3.45 0.00 0.00 179.45 177.34 1lj1 h ILE 432 N 0.36 0.92 -0.04 2.00 2.04 -1.41 0.72 117.51 122.09 1lj1 h ILE 432 Ca 0.38 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 66.16 1lj1 h ILE 432 Cb 0.95 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1lj1 h ILE 432 CO -0.11 0.05 0.04 0.44 0.00 0.00 0.00 178.15 178.57 1lj1 h ASP 433 N 0.26 0.00 0.22 1.72 3.32 -0.97 -1.50 116.42 119.47 1lj1 h ASP 433 Ca 0.19 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1lj1 h ASP 433 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1lj1 h ASP 433 CO -0.04 0.00 -0.56 0.11 -1.72 0.00 0.00 179.24 177.04 1lj1 h LYS 434 N 0.00 0.35 -0.21 3.56 1.79 -0.98 -0.45 116.57 120.64 1lj1 h LYS 434 Ca 0.02 -0.22 -0.17 0.00 -2.18 0.00 0.00 60.65 58.09 1lj1 h LYS 434 Cb 0.11 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1lj1 h LYS 434 CO -0.00 0.82 -0.58 1.88 -1.08 0.00 0.00 179.45 180.49 1lj1 h TYR 435 N 0.27 0.84 -0.52 -1.35 0.99 -1.29 -1.74 116.97 114.18 1lj1 h TYR 435 Ca 0.00 -0.31 -0.12 0.00 2.00 0.00 0.00 58.73 60.30 1lj1 h TYR 435 Cb 1.06 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.62 1lj1 h TYR 435 CO 0.03 1.08 -0.15 0.82 -0.00 0.00 0.00 178.16 179.94 1lj1 h ILE 436 N 0.50 1.27 -0.58 -2.88 2.04 -1.30 -2.52 117.51 114.05 1lj1 h ILE 436 Ca 0.00 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1lj1 h ILE 436 Cb 1.15 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1lj1 h ILE 436 CO 0.11 0.46 0.23 1.23 0.00 0.00 0.00 178.15 180.19 1lj1 h GLY 437 N 0.88 0.89 2.00 5.37 0.00 -0.93 -1.92 103.07 109.36 1lj1 h GLY 437 Ca 0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1lj1 h GLY 437 CO 0.06 0.42 -0.03 -2.00 0.00 0.00 0.00 176.54 174.99 1lj1 h LEU 438 N 0.82 0.00 0.00 3.11 5.85 -1.12 -3.47 115.31 120.50 1lj1 h LEU 438 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1lj1 h LEU 438 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1lj1 h LEU 438 CO -0.02 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.72 1lj1 n GLY 439 N -0.14 0.81 0.70 3.75 0.00 -0.72 -4.99 105.19 104.60 1lj1 n GLY 439 Ca -0.00 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.65 1lj1 n GLY 439 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lj1 n VAL 440 N -2.38 0.93 -3.49 1.61 0.24 -0.98 -4.73 118.33 109.53 1lj1 n VAL 440 Ca 0.00 -0.97 -0.27 0.00 -2.04 0.00 0.00 64.34 61.07 1lj1 n VAL 440 Cb 0.02 0.55 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 1lj1 n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lj1 n ALA 441 N 0.63 3.66 -1.45 2.33 0.00 -1.25 -4.46 120.51 119.96 1lj1 n ALA 441 Ca 0.12 -4.46 -0.37 0.00 0.00 0.00 0.00 53.44 48.74 1lj1 n ALA 441 Cb 0.44 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 19.04 1lj1 n ALA 441 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1lj1 n PRO 442 N 1.26 0.60 -4.09 0.00 -0.04 -1.20 -4.63 135.00 126.90 1lj1 n PRO 442 Ca 0.27 0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.90 1lj1 n PRO 442 Cb 0.42 -2.04 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 1lj1 n PRO 442 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1lj1 s THR 443 N -1.71 0.20 0.13 0.52 -1.32 -1.26 -2.02 115.64 110.18 1lj1 s THR 443 Ca 0.72 -1.80 -0.24 0.00 -1.21 0.00 0.00 61.69 59.16 1lj1 s THR 443 Cb -0.39 -1.59 0.07 0.00 -1.51 0.00 0.00 72.50 69.09 1lj1 s THR 443 CO 0.51 -0.91 0.71 0.00 -2.21 0.00 0.00 174.62 172.72 1lj1 s ALA 444 N -3.94 -1.62 -2.16 11.08 0.00 -0.96 -4.96 121.76 119.21 1lj1 s ALA 444 Ca 0.09 0.51 0.26 0.00 0.00 0.00 0.00 51.96 52.82 1lj1 s ALA 444 Cb 0.08 0.75 1.32 0.00 0.00 0.00 0.00 23.12 25.27 1lj1 s ALA 444 CO -0.08 -0.80 1.87 -0.40 0.00 0.00 0.00 175.76 176.35 1lj1 n ASP 445 N -0.36 0.62 -3.78 0.00 5.68 -1.26 -1.36 116.55 116.08 1lj1 n ASP 445 Ca -0.13 -1.34 -0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1lj1 n ASP 445 Cb 0.63 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 40.52 1lj1 n ASP 445 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1lj1 s SER 446 N -1.82 -0.08 0.39 -1.12 1.04 -1.26 -4.80 113.70 106.06 1lj1 s SER 446 Ca 0.38 -0.23 0.20 0.00 0.48 0.00 0.00 55.95 56.78 1lj1 s SER 446 Cb 0.19 0.33 0.73 0.00 0.10 0.00 0.00 66.02 67.37 1lj1 s SER 446 CO 0.30 -0.59 1.75 -0.07 0.98 0.00 0.00 173.24 175.62 1lj1 h LEU 447 N 3.32 0.00 -0.41 2.42 3.38 -1.92 -1.67 115.31 120.43 1lj1 h LEU 447 Ca -0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1lj1 h LEU 447 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1lj1 h LEU 447 CO 0.46 0.33 0.10 0.58 0.09 0.00 0.00 178.44 180.01 1lj1 h VAL 448 N 0.00 1.23 -0.45 1.22 2.07 -1.97 0.48 116.25 118.82 1lj1 h VAL 448 Ca -0.00 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 1lj1 h VAL 448 Cb 0.86 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1lj1 h VAL 448 CO 0.04 0.27 -0.05 0.11 0.02 0.00 0.00 177.57 177.97 1lj1 h LYS 449 N 0.52 0.83 -0.21 1.57 1.57 -1.87 -2.50 116.57 116.47 1lj1 h LYS 449 Ca 0.13 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1lj1 h LYS 449 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1lj1 h LYS 449 CO 0.00 0.91 0.13 1.25 -0.57 0.00 0.00 179.45 181.17 1lj1 h LEU 450 N 0.67 0.21 -0.78 2.94 6.46 -1.18 -1.43 115.31 122.19 1lj1 h LEU 450 Ca 0.12 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1lj1 h LEU 450 Cb 0.57 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1lj1 h LEU 450 CO 0.03 0.15 0.52 1.23 -0.62 0.00 0.00 178.44 179.75 1lj1 h GLY 451 N 0.26 1.10 1.01 3.75 0.00 -0.88 -1.66 103.07 106.65 1lj1 h GLY 451 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1lj1 h GLY 451 CO -0.03 0.40 0.49 1.70 0.00 0.00 0.00 176.54 179.09 1lj1 h LYS 452 N 1.06 0.98 -0.23 4.80 1.63 -1.13 0.97 116.57 124.64 1lj1 h LYS 452 Ca 0.29 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1lj1 h LYS 452 Cb -0.12 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.28 1lj1 h LYS 452 CO -0.06 0.65 0.14 0.52 -3.45 0.00 0.00 179.45 177.25 1lj1 h MET 453 N 1.01 0.28 -0.45 1.90 2.86 -0.37 -3.25 114.93 116.90 1lj1 h MET 453 Ca 0.27 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1lj1 h MET 453 Cb -0.11 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1lj1 h MET 453 CO -0.06 0.18 0.00 0.39 1.06 0.00 0.00 176.91 178.48 1lj1 n GLU 454 N -4.95 2.49 -1.58 1.72 -0.58 -0.81 -4.97 120.64 111.96 1lj1 n GLU 454 Ca -0.03 -2.27 -0.02 0.00 -0.42 0.00 0.00 57.16 54.43 1lj1 n GLU 454 Cb 0.04 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1lj1 n GLU 454 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lj1 n GLY 455 N 1.51 0.39 3.68 0.62 0.00 0.14 -5.05 105.19 106.49 1lj1 n GLY 455 Ca 0.20 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1lj1 n GLY 455 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lj1 s ILE 456 N -2.07 4.42 -0.20 -0.61 1.01 -0.08 -4.92 121.20 118.75 1lj1 s ILE 456 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 1lj1 s ILE 456 Cb 0.00 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.51 1lj1 s ILE 456 CO 0.00 0.59 2.14 -0.67 0.00 0.00 0.00 174.94 177.00 1lj1 n ASP 457 N 2.32 3.16 -0.20 3.58 -0.08 -1.17 -4.06 116.55 120.10 1lj1 n ASP 457 Ca -0.18 0.43 -0.07 0.00 -1.51 0.00 0.00 54.79 53.45 1lj1 n ASP 457 Cb 0.54 -1.47 0.03 0.00 2.34 0.00 0.00 41.12 42.55 1lj1 n ASP 457 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1lj1 h GLY 458 N 13.23 0.88 1.90 0.27 0.00 -1.85 -0.90 103.07 116.59 1lj1 h GLY 458 Ca -0.40 -0.43 -0.22 0.00 0.00 0.00 0.00 47.33 46.27 1lj1 h GLY 458 CO 0.97 0.41 -1.07 0.50 0.00 0.00 0.00 176.54 177.35 1lj1 h LYS 459 N 0.78 0.03 -0.24 4.80 1.57 -1.90 -2.71 116.57 118.90 1lj1 h LYS 459 Ca 0.20 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1lj1 h LYS 459 Cb 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1lj1 h LYS 459 CO -0.03 0.99 -0.46 0.00 -0.57 0.00 0.00 179.45 179.39 1lj1 h ALA 460 N 0.96 0.76 -0.58 3.86 0.00 -1.84 -2.57 119.26 119.84 1lj1 h ALA 460 Ca -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1lj1 h ALA 460 Cb 1.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1lj1 h ALA 460 CO 0.13 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.28 1lj1 h LEU 461 N 0.48 1.01 -0.51 0.00 5.85 -1.13 0.53 115.31 121.54 1lj1 h LEU 461 Ca 0.03 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1lj1 h LEU 461 Cb 0.98 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1lj1 h LEU 461 CO 0.09 1.07 0.24 0.74 -0.34 0.00 0.00 178.44 180.24 1lj1 h THR 462 N 0.94 1.20 -0.82 1.05 2.02 -1.44 -1.47 112.91 114.39 1lj1 h THR 462 Ca 0.17 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1lj1 h THR 462 Cb 0.56 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1lj1 h THR 462 CO 0.03 0.22 0.35 -0.33 0.37 0.00 0.00 175.52 176.17 1lj1 h GLU 463 N 0.68 1.21 -0.52 6.66 4.39 -0.96 -1.87 114.58 124.16 1lj1 h GLU 463 Ca 0.18 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1lj1 h GLU 463 Cb 0.13 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1lj1 h GLU 463 CO -0.02 0.95 0.31 1.15 -1.16 0.00 0.00 179.01 180.24 1lj1 h THR 464 N 1.18 1.16 -0.21 1.13 2.02 -0.51 -1.03 112.91 116.66 1lj1 h THR 464 Ca 0.28 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 1lj1 h THR 464 Cb 0.18 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1lj1 h THR 464 CO -0.03 0.17 -0.29 0.58 0.37 0.00 0.00 175.52 176.32 1lj1 h VAL 465 N 0.70 1.33 -0.46 3.16 2.07 -1.14 -0.31 116.25 121.60 1lj1 h VAL 465 Ca 0.19 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.30 1lj1 h VAL 465 Cb -0.00 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1lj1 h VAL 465 CO -0.03 0.46 0.03 0.00 0.02 0.00 0.00 177.57 178.05 1lj1 h ALA 466 N 0.63 0.46 -0.57 1.67 0.00 -1.27 -0.90 119.26 119.28 1lj1 h ALA 466 Ca 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1lj1 h ALA 466 Cb 0.87 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1lj1 h ALA 466 CO 0.07 -0.36 0.24 -0.09 0.00 0.00 0.00 179.25 179.10 1lj1 h ARG 467 N 0.15 0.84 -0.68 0.00 2.43 -0.94 -2.64 114.38 113.54 1lj1 h ARG 467 Ca 0.23 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1lj1 h ARG 467 Cb 0.32 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1lj1 h ARG 467 CO -0.35 0.72 0.25 -0.92 -1.51 0.00 0.00 179.97 178.16 1lj1 h TYR 468 N 0.77 1.03 0.00 2.20 3.20 -0.45 -2.15 116.97 121.58 1lj1 h TYR 468 Ca 0.19 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1lj1 h TYR 468 Cb 0.18 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1lj1 h TYR 468 CO 0.01 0.80 -0.38 -0.91 -1.64 0.00 0.00 178.16 176.04 1lj1 h ASN 469 N 0.99 0.00 -0.47 -2.11 2.35 -1.12 -0.43 115.58 114.79 1lj1 h ASN 469 Ca 0.23 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 1lj1 h ASN 469 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1lj1 h ASN 469 CO -0.02 0.38 -0.23 0.28 -1.65 0.00 0.00 177.43 176.19 1lj1 h SER 470 N 0.00 1.02 -0.42 5.81 0.02 -1.04 -0.93 113.55 118.00 1lj1 h SER 470 Ca -0.00 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 1lj1 h SER 470 Cb 0.68 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1lj1 h SER 470 CO 0.05 1.20 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.74 1lj1 h LEU 471 N 0.85 0.89 -0.01 5.07 3.38 -0.63 -1.45 115.31 123.40 1lj1 h LEU 471 Ca 0.11 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1lj1 h LEU 471 Cb 0.82 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1lj1 h LEU 471 CO 0.07 1.02 0.00 0.58 0.09 0.00 0.00 178.44 180.20 1lj1 h VAL 472 N 0.79 1.00 -0.38 1.22 2.07 -1.02 0.17 116.25 120.10 1lj1 h VAL 472 Ca 0.13 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1lj1 h VAL 472 Cb 0.65 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1lj1 h VAL 472 CO 0.05 0.00 -0.18 -1.28 0.02 0.00 0.00 177.57 176.18 1lj1 h SER 473 N 0.01 -0.61 1.35 0.57 0.87 -0.93 -1.92 113.55 112.89 1lj1 h SER 473 Ca 0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1lj1 h SER 473 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1lj1 h SER 473 CO -0.01 -0.21 -0.05 -1.54 -0.53 0.00 0.00 176.83 174.49 1lj1 n SER 474 N -5.36 0.69 0.00 6.23 3.41 -0.57 -4.96 113.62 113.06 1lj1 n SER 474 Ca 0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1lj1 n SER 474 Cb 0.27 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1lj1 n SER 474 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lj1 n GLY 475 N 1.34 0.71 2.94 5.00 0.00 0.58 -5.05 105.19 110.71 1lj1 n GLY 475 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1lj1 n GLY 475 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lj1 s LYS 476 N -0.41 0.11 -0.71 1.61 2.47 -1.08 -4.99 119.74 116.75 1lj1 s LYS 476 Ca 0.00 0.54 -0.23 0.00 -1.56 0.00 0.00 55.97 54.72 1lj1 s LYS 476 Cb 0.00 -0.17 0.07 0.00 -1.46 0.00 0.00 37.83 36.27 1lj1 s LYS 476 CO 0.00 -0.23 1.04 0.34 0.16 0.00 0.00 175.35 176.65 1lj1 s ASP 477 N 1.78 6.23 0.00 1.43 2.15 -1.26 -4.77 116.67 122.23 1lj1 s ASP 477 Ca -0.03 -1.04 0.27 0.00 0.43 0.00 0.00 52.55 52.18 1lj1 s ASP 477 Cb -0.12 -2.44 0.98 0.00 -0.30 0.00 0.00 42.92 41.04 1lj1 s ASP 477 CO -0.07 -1.46 1.71 0.35 -0.17 0.00 0.00 175.17 175.53 1lj1 n THR 478 N 5.97 0.00 -0.08 1.71 -2.24 -1.26 -1.34 114.28 117.05 1lj1 n THR 478 Ca 0.01 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1lj1 n THR 478 Cb 0.46 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 1lj1 n THR 478 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1lj1 h ASP 479 N 0.65 0.00 0.00 3.42 3.32 -2.02 -3.42 116.42 118.37 1lj1 h ASP 479 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1lj1 h ASP 479 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1lj1 h ASP 479 CO 0.00 1.04 0.00 0.49 -1.72 0.00 0.00 179.24 179.05 1lj1 n PHE 480 N -4.59 0.00 -3.04 4.55 3.01 -1.26 -5.06 117.46 111.08 1lj1 n PHE 480 Ca -0.14 -0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.08 1lj1 n PHE 480 Cb 0.45 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.95 1lj1 n PHE 480 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1lj1 n GLU 481 N -0.02 -5.00 -1.89 -1.08 1.02 -0.45 -4.40 120.64 108.82 1lj1 n GLU 481 Ca 0.00 0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 57.61 1lj1 n GLU 481 Cb 0.08 -5.71 -0.03 0.00 -0.02 0.00 0.00 31.44 25.76 1lj1 n GLU 481 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1lj1 s ARG 482 N -5.71 4.18 0.03 3.49 3.52 -1.26 -4.88 118.95 118.32 1lj1 s ARG 482 Ca 0.31 2.37 0.28 0.00 -0.13 0.00 0.00 55.73 58.56 1lj1 s ARG 482 Cb -0.14 -3.72 1.15 0.00 -1.56 0.00 0.00 34.95 30.68 1lj1 s ARG 482 CO 0.39 -0.79 1.89 -0.35 -0.81 0.00 0.00 175.30 175.63 1lj1 n PRO 483 N 6.05 0.04 -3.87 5.12 -0.04 -1.26 -4.38 135.00 136.65 1lj1 n PRO 483 Ca 0.17 0.05 -0.25 0.00 -0.04 0.00 0.00 63.50 63.43 1lj1 n PRO 483 Cb 0.41 -1.55 -0.17 0.00 -0.04 0.00 0.00 33.50 32.15 1lj1 n PRO 483 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1lj1 s ASN 484 N -3.24 1.84 -0.49 3.54 3.84 -1.26 -5.07 114.94 114.10 1lj1 s ASN 484 Ca 0.13 -0.19 0.03 0.00 0.21 0.00 0.00 52.86 53.04 1lj1 s ASN 484 Cb 0.18 -0.64 0.15 0.00 -0.55 0.00 0.00 41.25 40.38 1lj1 s ASN 484 CO 0.53 -0.15 0.30 -0.76 -2.79 0.00 0.00 177.10 174.23 1lj1 s LEU 485 N 1.77 3.10 0.16 3.21 1.43 -1.26 -5.01 118.68 122.08 1lj1 s LEU 485 Ca 0.04 -2.95 0.16 0.00 -1.03 0.00 0.00 54.13 50.34 1lj1 s LEU 485 Cb -0.13 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1lj1 s LEU 485 CO -0.06 -0.22 1.12 1.55 0.23 0.00 0.00 176.35 178.97 1lj1 h PRO 486 N 6.32 0.00 -3.22 1.29 0.13 -1.89 -3.48 132.00 131.16 1lj1 h PRO 486 Ca 0.05 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.04 1lj1 h PRO 486 Cb 0.89 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.81 1lj1 h PRO 486 CO 0.53 0.41 -0.38 1.03 -0.23 0.00 0.00 178.00 179.37 1lj1 s ARG 487 N -2.94 0.53 0.25 0.86 0.52 -1.26 -5.05 118.95 111.87 1lj1 s ARG 487 Ca 0.00 -0.16 -0.20 0.00 -0.52 0.00 0.00 55.73 54.85 1lj1 s ARG 487 Cb 0.08 0.23 -0.09 0.00 0.52 0.00 0.00 34.95 35.70 1lj1 s ARG 487 CO 0.78 -0.13 0.77 0.00 0.02 0.00 0.00 175.30 176.74 1lj1 s ALA 488 N -1.07 3.36 -0.90 2.13 0.00 -1.26 -4.98 121.76 119.05 1lj1 s ALA 488 Ca -0.11 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1lj1 s ALA 488 Cb -0.05 -2.89 0.15 0.00 0.00 0.00 0.00 23.12 20.33 1lj1 s ALA 488 CO 0.03 0.29 1.03 -0.51 0.00 0.00 0.00 175.76 176.60 1lj1 s LEU 489 N -2.11 5.52 0.00 0.00 1.43 -1.26 -4.64 118.68 117.62 1lj1 s LEU 489 Ca 0.46 -2.22 0.01 0.00 -1.03 0.00 0.00 54.13 51.35 1lj1 s LEU 489 Cb -0.16 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1lj1 s LEU 489 CO 0.21 -0.93 0.74 -0.46 0.23 0.00 0.00 176.35 176.14 1lj1 n ASN 490 N 5.84 -0.26 -4.13 2.29 2.04 -1.26 -4.94 115.26 114.84 1lj1 n ASN 490 Ca 0.21 -1.46 -0.33 0.00 -0.44 0.00 0.00 54.58 52.57 1lj1 n ASN 490 Cb 0.48 0.06 -0.16 0.00 -2.53 0.00 0.00 39.78 37.63 1lj1 n ASN 490 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1lj1 s GLU 491 N 0.00 2.94 4.61 -3.83 2.12 -1.26 -5.05 118.70 118.22 1lj1 s GLU 491 Ca 0.02 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1lj1 s GLU 491 Cb 0.02 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1lj1 s GLU 491 CO -0.01 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1lj1 n GLY 492 N 4.45 1.41 3.89 -1.50 0.00 -1.26 -0.82 105.19 111.37 1lj1 n GLY 492 Ca -0.20 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1lj1 n GLY 492 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lj1 s ASN 493 N -4.00 5.13 0.18 1.61 0.01 -1.26 -4.81 114.94 111.80 1lj1 s ASN 493 Ca 0.00 0.95 0.07 0.00 -0.71 0.00 0.00 52.86 53.17 1lj1 s ASN 493 Cb 0.00 -1.66 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 1lj1 s ASN 493 CO 0.00 -1.51 0.04 -0.31 -1.51 0.00 0.00 177.10 173.81 1lj1 s TYR 494 N -3.39 2.91 0.09 2.20 2.02 -0.47 -2.88 117.35 117.84 1lj1 s TYR 494 Ca 0.59 -0.11 0.04 0.00 -0.37 0.00 0.00 57.07 57.22 1lj1 s TYR 494 Cb -0.11 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1lj1 s TYR 494 CO 0.50 0.53 -0.11 0.71 -1.57 0.00 0.00 175.55 175.60 1lj1 s TYR 495 N -1.79 1.09 -0.00 2.71 2.02 -0.73 -2.27 117.35 118.38 1lj1 s TYR 495 Ca 0.29 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1lj1 s TYR 495 Cb -0.09 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 1lj1 s TYR 495 CO 0.20 0.02 -0.02 0.00 -1.57 0.00 0.00 175.55 174.18 1lj1 s ALA 496 N -2.12 0.19 -0.20 3.71 0.00 -0.86 -2.62 121.76 119.86 1lj1 s ALA 496 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 1lj1 s ALA 496 Cb -0.05 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1lj1 s ALA 496 CO 0.01 0.03 -0.06 0.42 0.00 0.00 0.00 175.76 176.16 1lj1 s ILE 497 N 0.09 1.30 -0.01 0.00 1.01 -0.51 -3.24 121.20 119.84 1lj1 s ILE 497 Ca -0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1lj1 s ILE 497 Cb -0.03 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1lj1 s ILE 497 CO -0.00 0.04 1.42 -0.70 0.00 0.00 0.00 174.94 175.70 1lj1 s GLU 498 N 1.53 4.27 0.10 2.79 2.12 -1.26 -0.67 118.70 127.58 1lj1 s GLU 498 Ca -0.02 1.98 0.05 0.00 0.36 0.00 0.00 54.97 57.34 1lj1 s GLU 498 Cb -0.17 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1lj1 s GLU 498 CO -0.07 -0.61 -0.13 0.14 -0.54 0.00 0.00 175.26 174.05 1lj1 s VAL 499 N 2.58 1.16 0.17 3.70 -7.23 0.61 -1.55 120.40 119.84 1lj1 s VAL 499 Ca 0.64 -1.60 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 1lj1 s VAL 499 Cb -0.31 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1lj1 s VAL 499 CO 0.26 -0.42 0.44 0.28 -0.31 0.00 0.00 175.10 175.36 1lj1 s THR 500 N -2.03 0.05 0.48 5.32 -1.32 -0.59 -1.48 115.64 116.06 1lj1 s THR 500 Ca 0.05 -0.82 -0.21 0.00 -1.21 0.00 0.00 61.69 59.50 1lj1 s THR 500 Cb -0.05 -1.49 -0.08 0.00 -1.51 0.00 0.00 72.50 69.36 1lj1 s THR 500 CO 0.02 -0.22 1.04 -2.84 -2.21 0.00 0.00 174.62 170.41 1lj1 s PRO 501 N -3.87 3.84 0.17 7.08 0.02 -1.11 -1.34 135.00 139.79 1lj1 s PRO 501 Ca 0.08 1.39 -0.01 0.00 0.02 0.00 0.00 61.00 62.48 1lj1 s PRO 501 Cb 0.01 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1lj1 s PRO 501 CO -0.05 -0.40 0.11 0.20 -0.33 0.00 0.00 177.00 176.52 1lj1 s GLY 502 N -1.92 1.25 0.01 0.52 0.00 -0.35 -4.67 107.32 102.16 1lj1 s GLY 502 Ca 0.66 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 1lj1 s GLY 502 CO 0.21 -1.37 1.04 0.14 0.00 0.00 0.00 173.10 173.12 1lj1 s VAL 503 N -4.11 4.64 0.00 1.40 1.01 0.76 -1.23 120.40 122.86 1lj1 s VAL 503 Ca 0.33 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1lj1 s VAL 503 Cb 0.07 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1lj1 s VAL 503 CO 0.08 0.14 0.00 1.57 0.00 0.00 0.00 175.10 176.89 1lj1 n HIS 504 N 4.00 0.00 -3.72 5.22 -0.00 -0.54 -1.71 115.22 118.47 1lj1 n HIS 504 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.65 1lj1 n HIS 504 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.40 1lj1 n HIS 504 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1lj1 s HIS 505 N -1.43 -0.35 -0.31 1.57 5.04 -1.21 -4.85 115.29 113.77 1lj1 s HIS 505 Ca 0.00 0.72 -0.04 0.00 -1.54 0.00 0.00 55.06 54.20 1lj1 s HIS 505 Cb 0.00 0.15 0.04 0.00 0.04 0.00 0.00 32.58 32.81 1lj1 s HIS 505 CO 0.00 -0.34 0.03 0.95 -2.34 0.00 0.00 174.74 173.05 1lj1 s THR 506 N -0.64 3.32 -0.06 0.89 -4.23 -1.26 -1.30 115.64 112.36 1lj1 s THR 506 Ca -0.07 -1.19 0.31 0.00 -1.18 0.00 0.00 61.69 59.55 1lj1 s THR 506 Cb -0.04 -2.86 0.37 0.00 1.34 0.00 0.00 72.50 71.32 1lj1 s THR 506 CO 0.03 -0.08 1.89 0.24 -0.54 0.00 0.00 174.62 176.17 1lj1 h MET 507 N 8.09 0.00 -7.18 3.99 2.86 -1.81 -3.45 114.93 117.42 1lj1 h MET 507 Ca -0.24 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.94 1lj1 h MET 507 Cb 1.08 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.83 1lj1 h MET 507 CO 0.57 0.00 0.14 0.20 1.06 0.00 0.00 176.91 178.88 1lj1 s GLY 508 N -4.13 1.76 0.00 8.32 0.00 -1.19 -4.03 107.32 108.05 1lj1 s GLY 508 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1lj1 s GLY 508 CO 0.56 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1lj1 n GLY 509 N -2.88 -0.49 3.76 0.20 0.00 -0.39 -4.38 105.19 101.01 1lj1 n GLY 509 Ca 0.13 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1lj1 n GLY 509 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lj1 s VAL 510 N -3.49 2.58 -0.05 1.61 0.11 -0.01 -0.64 120.40 120.51 1lj1 s VAL 510 Ca 0.00 0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 1lj1 s VAL 510 Cb 0.00 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 1lj1 s VAL 510 CO 0.00 0.12 1.35 -0.04 -3.33 0.00 0.00 175.10 173.20 1lj1 s MET 511 N -1.33 4.28 0.25 1.54 1.00 0.02 -1.49 119.30 123.58 1lj1 s MET 511 Ca 0.53 1.86 0.07 0.00 0.00 0.00 0.00 55.69 58.15 1lj1 s MET 511 Cb -0.42 -3.65 -0.05 0.00 0.00 0.00 0.00 34.83 30.71 1lj1 s MET 511 CO 0.51 -0.60 -0.09 0.96 0.00 0.00 0.00 175.02 175.80 1lj1 s ILE 512 N 2.76 1.70 0.13 2.53 -4.36 -1.26 -1.80 121.20 120.90 1lj1 s ILE 512 Ca 0.61 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 1lj1 s ILE 512 Cb -0.28 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1lj1 s ILE 512 CO 0.23 -0.41 0.15 -0.90 0.24 0.00 0.00 174.94 174.26 1lj1 n ASP 513 N -0.51 0.79 0.00 4.36 5.68 -0.91 -4.94 116.55 121.02 1lj1 n ASP 513 Ca -0.06 -1.38 0.10 0.00 -0.50 0.00 0.00 54.79 52.94 1lj1 n ASP 513 Cb 0.62 -0.07 0.49 0.00 -1.14 0.00 0.00 41.12 41.03 1lj1 n ASP 513 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1lj1 n THR 514 N -1.13 0.40 -0.48 2.12 -2.24 -1.26 -0.71 114.28 110.98 1lj1 n THR 514 Ca 0.02 0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1lj1 n THR 514 Cb 0.14 -0.78 0.26 0.00 -2.10 0.00 0.00 70.33 67.86 1lj1 n THR 514 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1lj1 n LYS 515 N -1.28 3.14 -1.32 -0.78 5.02 -1.26 -4.96 118.16 116.72 1lj1 n LYS 515 Ca 0.09 -2.54 -0.11 0.00 -2.02 0.00 0.00 58.31 53.73 1lj1 n LYS 515 Cb 0.16 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 1lj1 n LYS 515 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lj1 n ALA 516 N 0.73 -0.16 -2.46 7.82 0.00 0.11 -4.64 120.51 121.90 1lj1 n ALA 516 Ca 0.20 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 1lj1 n ALA 516 Cb 0.68 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1lj1 n ALA 516 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1lj1 s GLU 517 N -2.92 4.59 0.32 0.00 2.02 -1.26 -1.72 118.70 119.73 1lj1 s GLU 517 Ca 0.00 1.51 -0.28 0.00 0.02 0.00 0.00 54.97 56.22 1lj1 s GLU 517 Cb 0.00 -3.40 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 1lj1 s GLU 517 CO 0.00 0.02 1.08 0.08 0.02 0.00 0.00 175.26 176.46 1lj1 s VAL 518 N 0.56 3.58 0.21 2.63 1.01 -0.30 -2.15 120.40 125.94 1lj1 s VAL 518 Ca 0.51 1.46 0.11 0.00 0.00 0.00 0.00 61.98 64.06 1lj1 s VAL 518 Cb -0.24 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1lj1 s VAL 518 CO 0.29 0.25 -0.22 -0.04 0.00 0.00 0.00 175.10 175.38 1lj1 s MET 519 N -1.78 1.58 0.22 2.72 -1.94 -0.75 -0.57 119.30 118.78 1lj1 s MET 519 Ca 0.49 -1.55 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 1lj1 s MET 519 Cb -0.28 -1.85 0.04 0.00 2.01 0.00 0.00 34.83 34.75 1lj1 s MET 519 CO 0.36 0.39 0.31 0.27 -0.01 0.00 0.00 175.02 176.34 1lj1 n ASN 520 N 0.09 0.47 0.24 3.03 0.23 -0.57 -1.22 115.26 117.53 1lj1 n ASN 520 Ca -0.11 -1.38 0.11 0.00 -0.53 0.00 0.00 54.58 52.67 1lj1 n ASN 520 Cb 0.57 -0.19 0.53 0.00 -2.08 0.00 0.00 39.78 38.61 1lj1 n ASN 520 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lj1 h ALA 521 N -0.34 1.05 -0.22 -2.53 0.00 -1.90 -1.18 119.26 114.14 1lj1 h ALA 521 Ca -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1lj1 h ALA 521 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1lj1 h ALA 521 CO 0.11 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.22 1lj1 n LYS 522 N -3.39 1.76 -2.87 0.00 5.02 -1.26 -4.87 118.16 112.57 1lj1 n LYS 522 Ca -0.00 -0.89 -0.20 0.00 -2.02 0.00 0.00 58.31 55.21 1lj1 n LYS 522 Cb 0.38 -1.36 0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1lj1 n LYS 522 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1lj1 n LYS 523 N 0.19 -4.04 -3.72 1.97 4.76 -0.44 -5.01 118.16 111.87 1lj1 n LYS 523 Ca 0.08 0.82 -0.37 0.00 -2.87 0.00 0.00 58.31 55.97 1lj1 n LYS 523 Cb 0.31 -5.44 -0.06 0.00 -1.84 0.00 0.00 35.03 28.00 1lj1 n LYS 523 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1lj1 s GLN 524 N -5.49 3.64 0.25 1.97 -0.21 -1.26 -4.83 119.66 113.73 1lj1 s GLN 524 Ca 0.24 0.07 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 1lj1 s GLN 524 Cb -0.11 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.64 1lj1 s GLN 524 CO 0.30 0.71 1.31 0.08 -2.12 0.00 0.00 175.29 175.56 1lj1 s VAL 525 N -1.13 3.01 -0.43 1.09 1.01 -1.26 -1.52 120.40 121.17 1lj1 s VAL 525 Ca 0.22 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 1lj1 s VAL 525 Cb -0.14 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1lj1 s VAL 525 CO 0.11 0.17 0.35 0.27 0.00 0.00 0.00 175.10 175.99 1lj1 s ILE 526 N -0.40 5.23 0.13 2.22 -5.25 0.26 -4.93 121.20 118.45 1lj1 s ILE 526 Ca 0.53 -0.75 -0.33 0.00 -0.99 0.00 0.00 60.65 59.12 1lj1 s ILE 526 Cb -0.38 -4.01 -0.12 0.00 2.95 0.00 0.00 42.46 40.90 1lj1 s ILE 526 CO 0.44 -0.42 1.73 -2.65 -1.79 0.00 0.00 174.94 172.25 1lj1 n PRO 527 N 5.24 2.50 -0.05 0.37 -0.02 -1.26 -2.30 135.00 139.49 1lj1 n PRO 527 Ca -0.11 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1lj1 n PRO 527 Cb 0.46 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1lj1 n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lj1 n GLY 528 N 3.90 1.44 3.54 -1.23 0.00 -1.26 -1.17 105.19 110.41 1lj1 n GLY 528 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1lj1 n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lj1 s LEU 529 N 0.00 3.67 0.21 0.99 0.20 -0.97 -1.42 118.68 121.36 1lj1 s LEU 529 Ca 0.00 -0.07 0.11 0.00 0.69 0.00 0.00 54.13 54.87 1lj1 s LEU 529 Cb 0.00 -1.97 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 1lj1 s LEU 529 CO 0.00 0.05 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.57 1lj1 s TYR 530 N 1.14 2.25 -0.01 5.38 1.51 -0.78 -1.15 117.35 125.69 1lj1 s TYR 530 Ca 0.05 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1lj1 s TYR 530 Cb -0.14 -1.08 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1lj1 s TYR 530 CO 0.04 0.54 -0.06 0.20 -1.11 0.00 0.00 175.55 175.15 1lj1 s GLY 531 N -2.89 0.31 -0.17 0.71 0.00 -0.70 -0.42 107.32 104.16 1lj1 s GLY 531 Ca 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.59 1lj1 s GLY 531 CO 0.11 -0.21 0.41 0.00 0.00 0.00 0.00 173.10 173.40 1lj1 s ALA 532 N -0.12 -1.03 0.00 3.20 0.00 -0.92 -4.78 121.76 118.10 1lj1 s ALA 532 Ca 0.02 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1lj1 s ALA 532 Cb -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1lj1 s ALA 532 CO -0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1lj1 n GLY 533 N 4.17 -0.22 0.04 0.00 0.00 -1.26 -4.38 105.19 103.53 1lj1 n GLY 533 Ca -0.23 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.11 1lj1 n GLY 533 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lj1 n GLU 534 N 0.00 0.05 0.28 1.61 2.13 -1.26 -1.33 120.64 122.12 1lj1 n GLU 534 Ca 0.00 0.33 0.17 0.00 0.66 0.00 0.00 57.16 58.32 1lj1 n GLU 534 Cb 0.00 -1.61 0.71 0.00 0.27 0.00 0.00 31.44 30.82 1lj1 n GLU 534 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1lj1 h VAL 535 N 0.00 0.04 -3.78 6.31 3.04 -1.77 -3.38 116.25 116.71 1lj1 h VAL 535 Ca 0.00 -0.51 -0.49 0.00 -1.01 0.00 0.00 66.70 64.69 1lj1 h VAL 535 Cb 0.25 1.49 0.03 0.00 -2.01 0.00 0.00 31.29 31.04 1lj1 h VAL 535 CO 0.00 0.01 0.18 0.42 -1.01 0.00 0.00 177.57 177.18 1lj1 s THR 536 N -3.71 4.82 0.26 3.17 -4.23 -0.44 -0.83 115.64 114.67 1lj1 s THR 536 Ca 0.01 0.51 0.11 0.00 -1.18 0.00 0.00 61.69 61.14 1lj1 s THR 536 Cb 0.09 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 1lj1 s THR 536 CO 0.54 -0.79 -0.17 -0.83 -0.54 0.00 0.00 174.62 172.83 1lj1 s GLY 537 N -3.77 1.82 0.00 3.99 0.00 -0.56 -3.89 107.32 104.92 1lj1 s GLY 537 Ca 0.51 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1lj1 s GLY 537 CO 0.41 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 172.27 1lj1 n GLY 538 N -0.48 2.87 0.18 0.20 0.00 -1.26 -4.50 105.19 102.21 1lj1 n GLY 538 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1lj1 n GLY 538 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lj1 h VAL 539 N 0.00 1.31 -0.01 1.61 2.07 -1.88 -0.30 116.25 119.05 1lj1 h VAL 539 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1lj1 h VAL 539 Cb 0.00 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1lj1 h VAL 539 CO 0.00 0.70 -0.17 1.41 0.02 0.00 0.00 177.57 179.53 1lj1 n HIS 540 N -3.91 0.00 -2.47 1.57 -0.00 -1.26 -4.66 115.22 104.49 1lj1 n HIS 540 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1lj1 n HIS 540 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.87 1lj1 n HIS 540 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1lj1 n GLY 541 N 0.96 2.96 0.16 -1.41 0.00 -1.26 -3.32 105.19 103.27 1lj1 n GLY 541 Ca 0.07 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1lj1 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 h ALA 542 N -0.81 1.00 -2.06 4.61 0.00 -1.79 -3.45 119.26 116.76 1lj1 h ALA 542 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1lj1 h ALA 542 Cb 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.58 1lj1 h ALA 542 CO 0.00 0.00 -0.14 1.21 0.00 0.00 0.00 179.25 180.32 1lj1 s ASN 543 N -5.30 -1.03 0.24 0.00 2.47 -1.21 -4.79 114.94 105.32 1lj1 s ASN 543 Ca 0.09 1.51 -0.22 0.00 0.42 0.00 0.00 52.86 54.65 1lj1 s ASN 543 Cb 0.09 2.10 -0.09 0.00 -1.45 0.00 0.00 41.25 41.90 1lj1 s ASN 543 CO 0.63 -0.22 0.79 -0.60 -3.72 0.00 0.00 177.10 173.98 1lj1 s ARG 544 N 2.72 4.39 0.34 0.43 3.52 -1.26 -3.25 118.95 125.85 1lj1 s ARG 544 Ca -0.06 1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 56.38 1lj1 s ARG 544 Cb -0.11 -2.91 -0.10 0.00 -1.56 0.00 0.00 34.95 30.27 1lj1 s ARG 544 CO -0.18 0.39 0.85 -0.51 -0.81 0.00 0.00 175.30 175.03 1lj1 s LEU 545 N -1.88 4.12 0.24 -0.88 1.43 -1.26 -4.83 118.68 115.62 1lj1 s LEU 545 Ca 0.44 1.55 -0.31 0.00 -1.03 0.00 0.00 54.13 54.78 1lj1 s LEU 545 Cb -0.18 -4.14 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 1lj1 s LEU 545 CO 0.22 -0.19 1.63 -0.83 0.23 0.00 0.00 176.35 177.41 1lj1 s GLY 546 N -2.02 1.72 0.00 -3.19 0.00 -1.26 -1.96 107.32 100.61 1lj1 s GLY 546 Ca 0.54 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1lj1 s GLY 546 CO 0.18 2.67 0.00 0.61 0.00 0.00 0.00 173.10 176.56 1lj1 n GLY 547 N 3.03 2.91 0.20 0.20 0.00 -1.26 -4.78 105.19 105.48 1lj1 n GLY 547 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1lj1 n GLY 547 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1lj1 h ASN 548 N 0.00 0.00 0.31 1.61 2.35 -1.67 -2.32 115.58 115.86 1lj1 h ASN 548 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1lj1 h ASN 548 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1lj1 h ASN 548 CO 0.00 0.00 -1.15 0.00 -1.65 0.00 0.00 177.43 174.63 1lj1 h ALA 549 N 2.10 0.13 -0.54 -0.83 0.00 -1.91 -1.67 119.26 116.54 1lj1 h ALA 549 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1lj1 h ALA 549 Cb 0.93 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1lj1 h ALA 549 CO 0.00 0.79 -0.05 0.82 0.00 0.00 0.00 179.25 180.81 1lj1 h ILE 550 N 0.22 1.26 -0.07 0.00 1.08 -1.83 -1.17 117.51 117.00 1lj1 h ILE 550 Ca -0.14 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.15 1lj1 h ILE 550 Cb 1.82 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1lj1 h ILE 550 CO 0.21 0.42 0.02 -1.28 -0.69 0.00 0.00 178.15 176.82 1lj1 h SER 551 N 0.88 0.01 -0.06 1.72 0.87 -1.58 -2.97 113.55 112.43 1lj1 h SER 551 Ca 0.15 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1lj1 h SER 551 Cb 0.59 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1lj1 h SER 551 CO 0.04 0.02 -0.30 -0.78 -0.53 0.00 0.00 176.83 175.28 1lj1 h ASP 552 N 0.05 -0.91 0.17 6.23 3.58 -0.82 -2.61 116.42 122.11 1lj1 h ASP 552 Ca 0.03 0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1lj1 h ASP 552 Cb 0.02 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1lj1 h ASP 552 CO -0.04 -0.35 -0.21 0.16 -2.88 0.00 0.00 179.24 175.92 1lj1 h ILE 553 N -0.41 1.17 -0.01 2.25 3.07 -1.14 0.78 117.51 123.21 1lj1 h ILE 553 Ca 0.08 -0.80 -0.01 0.00 1.55 0.00 0.00 64.86 65.68 1lj1 h ILE 553 Cb 0.53 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1lj1 h ILE 553 CO -0.29 0.23 -0.05 0.40 -1.05 0.00 0.00 178.15 177.39 1lj1 h ILE 554 N 0.06 1.50 0.72 0.16 1.08 -1.47 -1.16 117.51 118.40 1lj1 h ILE 554 Ca 0.01 -1.54 -0.04 0.00 -0.39 0.00 0.00 64.86 62.91 1lj1 h ILE 554 Cb 0.40 2.50 0.01 0.00 -3.07 0.00 0.00 36.82 36.66 1lj1 h ILE 554 CO 0.03 0.41 -0.35 0.74 -0.69 0.00 0.00 178.15 178.29 1lj1 h THR 555 N -0.56 0.25 -0.06 -0.27 2.02 -1.11 -1.75 112.91 111.44 1lj1 h THR 555 Ca -0.00 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1lj1 h THR 555 Cb 0.69 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1lj1 h THR 555 CO 0.01 0.01 -0.52 -0.26 0.37 0.00 0.00 175.52 175.13 1lj1 h PHE 556 N -1.04 0.19 -0.02 3.16 0.04 -0.98 -2.20 116.94 116.08 1lj1 h PHE 556 Ca -0.10 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1lj1 h PHE 556 Cb 0.76 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 1lj1 h PHE 556 CO -0.01 0.64 0.01 0.78 -0.60 0.00 0.00 178.31 179.13 1lj1 h GLY 557 N 1.45 0.04 1.01 -1.45 0.00 -1.16 -1.95 103.07 101.01 1lj1 h GLY 557 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1lj1 h GLY 557 CO 0.08 0.02 0.54 -0.09 0.00 0.00 0.00 176.54 177.09 1lj1 h ARG 558 N -0.15 1.14 0.30 4.80 2.43 -1.31 -1.86 114.38 119.74 1lj1 h ARG 558 Ca 0.01 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1lj1 h ARG 558 Cb 0.19 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1lj1 h ARG 558 CO -0.00 0.78 -0.15 1.25 -1.51 0.00 0.00 179.97 180.34 1lj1 h LEU 559 N 1.16 -0.34 -0.72 3.80 6.46 -1.37 -2.27 115.31 122.03 1lj1 h LEU 559 Ca 0.31 -0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.12 1lj1 h LEU 559 Cb -0.09 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 1lj1 h LEU 559 CO -0.06 -0.18 0.35 0.00 -0.62 0.00 0.00 178.44 177.93 1lj1 h ALA 560 N 0.18 0.99 -0.79 1.25 0.00 -1.18 0.22 119.26 119.93 1lj1 h ALA 560 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1lj1 h ALA 560 Cb 0.37 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1lj1 h ALA 560 CO 0.07 -0.07 0.32 0.78 0.00 0.00 0.00 179.25 180.35 1lj1 h GLY 561 N 0.58 1.26 0.73 0.00 0.00 -1.20 0.59 103.07 105.03 1lj1 h GLY 561 Ca 0.36 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1lj1 h GLY 561 CO -0.29 0.64 -0.01 0.83 0.00 0.00 0.00 176.54 177.71 1lj1 h GLU 562 N 1.15 0.18 -0.73 4.80 5.08 -0.85 -2.30 114.58 121.91 1lj1 h GLU 562 Ca 0.27 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1lj1 h GLU 562 Cb 0.20 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1lj1 h GLU 562 CO -0.02 0.47 0.31 0.93 -1.00 0.00 0.00 179.01 179.71 1lj1 h GLU 563 N -0.13 1.07 -0.67 2.33 4.39 -0.40 -2.39 114.58 118.79 1lj1 h GLU 563 Ca 0.03 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1lj1 h GLU 563 Cb 0.40 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1lj1 h GLU 563 CO 0.01 0.85 0.17 0.00 -1.16 0.00 0.00 179.01 178.88 1lj1 h ALA 564 N 1.29 0.88 -0.70 3.43 0.00 -0.83 -1.38 119.26 121.95 1lj1 h ALA 564 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1lj1 h ALA 564 Cb 0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1lj1 h ALA 564 CO -0.03 0.60 0.39 0.00 0.00 0.00 0.00 179.25 180.22 1lj1 h ALA 565 N 1.07 0.89 0.00 0.00 0.00 -1.30 0.02 119.26 119.95 1lj1 h ALA 565 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1lj1 h ALA 565 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1lj1 h ALA 565 CO 0.00 0.40 -0.00 0.87 0.00 0.00 0.00 179.25 180.52 1lj1 h LYS 566 N 0.96 -0.00 -0.73 0.00 1.57 -1.31 -3.05 116.57 114.01 1lj1 h LYS 566 Ca 0.25 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1lj1 h LYS 566 Cb 0.02 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 1lj1 h LYS 566 CO -0.04 0.37 0.31 -0.92 -0.57 0.00 0.00 179.45 178.60 1lj1 h TYR 567 N -0.38 0.54 0.00 -1.35 3.20 -1.21 -3.52 116.97 114.25 1lj1 h TYR 567 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1lj1 h TYR 567 Cb 0.38 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1lj1 h TYR 567 CO 0.06 0.12 0.00 0.45 -1.64 0.00 0.00 178.16 177.14