#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 1.04 -3.91 0.00 8.00 -1.26 -4.99 116.55 115.44 1lj1 n ASP 2 Ca 0.00 -0.93 -0.08 0.00 0.71 0.00 0.00 54.79 54.49 1lj1 n ASP 2 Cb 0.00 0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.92 -0.20 0.14 -2.24 2.20 -1.26 -4.73 114.94 105.94 1lj1 s ASN 3 Ca 0.10 -0.72 -0.14 0.00 -0.94 0.00 0.00 52.86 51.16 1lj1 s ASN 3 Cb 0.17 0.68 0.01 0.00 -2.00 0.00 0.00 41.25 40.10 1lj1 s ASN 3 CO 0.79 -1.27 1.63 0.25 -2.94 0.00 0.00 177.10 175.55 1lj1 h LEU 4 N 2.09 0.72 -0.03 3.54 5.85 -1.73 -2.54 115.31 123.21 1lj1 h LEU 4 Ca -0.22 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1lj1 h LEU 4 Cb 1.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1lj1 h LEU 4 CO 0.27 0.79 -0.06 0.00 -0.34 0.00 0.00 178.44 179.11 1lj1 h ALA 5 N 0.95 -0.03 -0.70 1.25 0.00 -1.22 -2.02 119.26 117.49 1lj1 h ALA 5 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1lj1 h ALA 5 Cb 0.37 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1lj1 h ALA 5 CO 0.01 -0.54 0.37 1.49 0.00 0.00 0.00 179.25 180.58 1lj1 h GLU 6 N -0.09 0.63 -0.59 0.00 4.81 -1.80 -0.97 114.58 116.58 1lj1 h GLU 6 Ca 0.03 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1lj1 h GLU 6 Cb 0.13 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1lj1 h GLU 6 CO -0.08 0.42 0.30 0.35 -0.73 0.00 0.00 179.01 179.27 1lj1 h PHE 7 N 0.65 0.55 -0.19 0.92 3.04 -1.28 -2.93 116.94 117.69 1lj1 h PHE 7 Ca 0.33 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 62.14 1lj1 h PHE 7 Cb 0.29 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1lj1 h PHE 7 CO -0.09 0.25 -0.57 0.45 -2.02 0.00 0.00 178.31 176.32 1lj1 h HIS 8 N 0.56 0.77 0.00 0.41 3.86 -0.58 -3.17 115.15 117.01 1lj1 h HIS 8 Ca 0.27 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1lj1 h HIS 8 Cb 0.19 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1lj1 h HIS 8 CO -0.10 1.04 0.00 1.33 0.86 0.00 0.00 177.93 181.05 1lj1 n VAL 9 N -3.96 1.23 0.28 2.45 0.24 -0.45 -1.61 118.33 116.50 1lj1 n VAL 9 Ca -0.04 0.31 0.13 0.00 -2.04 0.00 0.00 64.34 62.70 1lj1 n VAL 9 Cb 0.62 -1.13 0.79 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.00 0.00 7.34 4.20 -1.55 -3.27 115.11 121.82 1lj1 h GLN 10 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lj1 h GLN 10 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1lj1 h GLN 10 CO 0.00 0.05 0.00 0.09 -0.67 0.00 0.00 178.83 178.30 1lj1 n ASN 11 N -3.93 0.54 -3.64 1.46 4.13 -0.64 -5.09 115.26 108.09 1lj1 n ASN 11 Ca -0.03 -1.24 -0.14 0.00 1.68 0.00 0.00 54.58 54.86 1lj1 n ASN 11 Cb 0.14 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.32 1lj1 n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lj1 s GLN 12 N -0.24 0.92 0.68 3.52 -2.07 -0.95 -5.16 119.66 116.38 1lj1 s GLN 12 Ca 0.00 -0.23 -0.09 0.00 -1.82 0.00 0.00 55.36 53.22 1lj1 s GLN 12 Cb 0.00 0.42 0.03 0.00 -1.09 0.00 0.00 33.01 32.36 1lj1 s GLN 12 CO 0.00 -0.31 1.04 -1.21 -1.32 0.00 0.00 175.29 173.49 1lj1 s GLU 13 N -2.12 2.68 0.29 9.60 0.41 -1.26 -4.17 118.70 124.14 1lj1 s GLU 13 Ca -0.07 0.19 0.04 0.00 -0.41 0.00 0.00 54.97 54.72 1lj1 s GLU 13 Cb -0.01 -2.11 0.69 0.00 -1.78 0.00 0.00 34.13 30.92 1lj1 s GLU 13 CO 0.00 -1.03 1.78 0.00 -0.49 0.00 0.00 175.26 175.53 1lj1 n ASP 15 N -4.76 0.00 0.19 0.00 5.75 -1.26 -2.38 116.55 114.08 1lj1 n ASP 15 Ca 0.22 -0.92 0.03 0.00 -0.01 0.00 0.00 54.79 54.12 1lj1 n ASP 15 Cb 0.52 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.98 1lj1 n ASP 15 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1lj1 h SER 16 N 0.00 0.00 0.00 -1.12 4.64 -1.68 -3.24 113.55 112.15 1lj1 h SER 16 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1lj1 h SER 16 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 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 -3.14 3.02 0.90 0.00 4.02 -1.04 -4.50 115.29 114.56 1lj1 s HIS 18 Ca -0.06 -0.10 -0.10 0.00 1.02 0.00 0.00 55.06 55.82 1lj1 s HIS 18 Cb 0.11 -1.40 0.14 0.00 -1.02 0.00 0.00 32.58 30.40 1lj1 s HIS 18 CO 0.69 0.53 1.13 0.95 1.02 0.00 0.00 174.74 179.07 1lj1 s THR 19 N -1.97 2.26 0.34 1.30 -4.23 -1.26 -4.72 115.64 107.35 1lj1 s THR 19 Ca 0.31 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 1lj1 s THR 19 Cb -0.09 -2.18 0.31 0.00 1.34 0.00 0.00 72.50 71.88 1lj1 s THR 19 CO 0.23 -0.11 1.90 -0.65 -0.54 0.00 0.00 174.62 175.44 1lj1 h PRO 20 N -1.79 0.76 0.00 3.99 0.11 -1.93 0.63 132.00 133.77 1lj1 h PRO 20 Ca -0.44 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1lj1 h PRO 20 Cb 1.27 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1lj1 h PRO 20 CO 0.44 0.50 -0.64 0.38 -0.21 0.00 0.00 178.00 178.46 1lj1 h ASP 21 N 0.78 0.00 0.00 -2.05 3.04 -2.03 -3.48 116.42 112.68 1lj1 h ASP 21 Ca 0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.20 1lj1 h ASP 21 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.79 1lj1 h ASP 21 CO -0.17 0.54 0.00 0.61 -2.04 0.00 0.00 179.24 178.17 1lj1 n GLY 22 N 1.25 2.72 3.73 7.15 0.00 0.21 -5.07 105.19 115.18 1lj1 n GLY 22 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1lj1 n GLY 22 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1lj1 n GLU 23 N -0.71 1.24 -2.00 1.61 0.00 -1.26 -4.63 120.64 114.90 1lj1 n GLU 23 Ca 0.00 0.48 -0.41 0.00 0.00 0.00 0.00 57.16 57.23 1lj1 n GLU 23 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 31.44 28.88 1lj1 n GLU 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1lj1 s LEU 24 N -4.10 4.38 0.17 -1.84 1.43 -1.26 -4.48 118.68 112.99 1lj1 s LEU 24 Ca 0.80 2.70 -0.14 0.00 -1.03 0.00 0.00 54.13 56.47 1lj1 s LEU 24 Cb -0.39 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.33 1lj1 s LEU 24 CO 0.42 -0.70 1.77 0.77 0.23 0.00 0.00 176.35 178.84 1lj1 h SER 25 N 4.74 0.27 -2.00 2.29 4.64 -1.94 -3.48 113.55 118.07 1lj1 h SER 25 Ca -0.47 0.04 0.26 0.00 -0.47 0.00 0.00 61.79 61.15 1lj1 h SER 25 Cb 1.22 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1lj1 h SER 25 CO 0.76 0.19 0.72 -0.46 -0.87 0.00 0.00 176.83 177.17 1lj1 n ASN 26 N -4.95 -1.17 0.14 4.97 0.23 -1.26 -4.99 115.26 108.23 1lj1 n ASN 26 Ca 0.04 -1.37 0.12 0.00 -0.53 0.00 0.00 54.58 52.85 1lj1 n ASN 26 Cb 0.15 1.84 0.49 0.00 -2.08 0.00 0.00 39.78 40.18 1lj1 n ASN 26 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1lj1 h ASP 27 N 1.73 0.00 0.94 0.53 5.19 -1.92 -2.25 116.42 120.64 1lj1 h ASP 27 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1lj1 h ASP 27 Cb 1.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1lj1 h ASP 27 CO 0.28 0.00 -0.48 -1.20 -3.12 0.00 0.00 179.24 174.73 1lj1 n SER 28 N -2.30 0.67 -3.02 6.45 7.64 -1.25 -4.46 113.62 117.33 1lj1 n SER 28 Ca 0.03 0.18 -0.21 0.00 1.01 0.00 0.00 58.87 59.87 1lj1 n SER 28 Cb 0.27 -0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.05 -2.90 0.04 -3.43 4.77 -0.85 -4.89 117.00 107.70 1lj1 n LEU 29 Ca 0.04 -0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 55.53 1lj1 n LEU 29 Cb 0.42 -2.81 -0.06 0.00 -2.33 0.00 0.00 43.42 38.65 1lj1 n LEU 29 CO 0.35 0.38 0.60 0.74 -1.33 0.00 0.00 177.39 178.13 1lj1 h THR 30 N -1.80 0.19 -0.15 -5.08 2.02 -1.93 -0.34 112.91 105.83 1lj1 h THR 30 Ca -0.50 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1lj1 h THR 30 Cb 1.34 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1lj1 h THR 30 CO 0.52 0.00 0.08 0.22 0.37 0.00 0.00 175.52 176.71 1lj1 h TYR 31 N -0.52 0.15 -0.39 3.16 3.20 -1.95 -1.41 116.97 119.21 1lj1 h TYR 31 Ca 0.06 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1lj1 h TYR 31 Cb 0.62 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1lj1 h TYR 31 CO -0.42 0.09 0.24 0.93 -1.64 0.00 0.00 178.16 177.36 1lj1 h GLU 32 N 0.17 0.53 -0.31 1.82 3.07 -1.75 -2.26 114.58 115.85 1lj1 h GLU 32 Ca 0.06 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1lj1 h GLU 32 Cb 0.00 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1lj1 h GLU 32 CO -0.03 0.40 -0.15 -0.91 -1.40 0.00 0.00 179.01 176.92 1lj1 h ASN 33 N 0.52 0.52 -0.90 1.42 2.35 -0.97 -2.37 115.58 116.14 1lj1 h ASN 33 Ca 0.14 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1lj1 h ASN 33 Cb 0.00 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 1lj1 h ASN 33 CO -0.03 0.69 0.59 0.74 -1.65 0.00 0.00 177.43 177.77 1lj1 h THR 34 N 0.49 1.10 -0.58 2.81 2.02 -0.80 -2.20 112.91 115.75 1lj1 h THR 34 Ca 0.09 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 1lj1 h THR 34 Cb 0.54 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1lj1 h THR 34 CO 0.03 0.19 -0.02 1.56 0.37 0.00 0.00 175.52 177.66 1lj1 h GLN 35 N 1.06 1.03 -0.46 6.66 1.08 -0.91 0.34 115.11 123.90 1lj1 h GLN 35 Ca 0.38 -0.33 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1lj1 h GLN 35 Cb 0.13 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1lj1 h GLN 35 CO -0.13 1.01 0.30 0.00 -0.95 0.00 0.00 178.83 179.06 1lj1 h VAL 37 N 0.60 1.17 -0.02 0.00 2.07 -1.18 -0.19 116.25 118.71 1lj1 h VAL 37 Ca 0.18 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1lj1 h VAL 37 Cb -0.04 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1lj1 h VAL 37 CO -0.06 0.21 0.01 0.77 0.02 0.00 0.00 177.57 178.53 1lj1 h SER 38 N 0.56 0.00 0.00 0.57 4.64 -0.26 -0.95 113.55 118.12 1lj1 h SER 38 Ca 0.13 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.13 1lj1 h SER 38 Cb 0.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 1lj1 h SER 38 CO -0.01 0.00 -2.21 0.00 -0.87 0.00 0.00 176.83 173.75 1lj1 n HIS 40 N -2.91 0.03 0.00 0.00 8.25 -0.13 -5.10 115.22 115.35 1lj1 n HIS 40 Ca -0.34 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1lj1 n HIS 40 Cb 0.98 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 1.45 0.01 3.62 -1.41 0.00 -0.37 -4.34 105.19 104.15 1lj1 n GLY 41 Ca 0.03 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.12 1.86 0.29 2.61 -4.23 -1.26 -4.37 115.64 109.42 1lj1 s THR 42 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1lj1 s THR 42 Cb 0.00 -2.43 0.29 0.00 1.34 0.00 0.00 72.50 71.70 1lj1 s THR 42 CO 0.00 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.16 1lj1 h LEU 43 N -2.25 0.91 -0.98 4.79 5.85 -1.92 -0.06 115.31 121.65 1lj1 h LEU 43 Ca -0.53 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1lj1 h LEU 43 Cb 1.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1lj1 h LEU 43 CO 0.50 0.47 -0.34 0.00 -0.34 0.00 0.00 178.44 178.72 1lj1 h ALA 44 N 1.55 1.14 -0.17 1.25 0.00 -1.92 0.62 119.26 121.74 1lj1 h ALA 44 Ca 0.50 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1lj1 h ALA 44 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lj1 h ALA 44 CO -0.27 0.56 -0.07 0.93 0.00 0.00 0.00 179.25 180.39 1lj1 h GLU 45 N 0.27 0.34 -0.71 0.00 5.08 -1.51 -3.01 114.58 115.04 1lj1 h GLU 45 Ca 0.03 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1lj1 h GLU 45 Cb 0.74 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1lj1 h GLU 45 CO 0.06 0.65 0.35 0.28 -1.00 0.00 0.00 179.01 179.34 1lj1 h VAL 46 N 0.02 1.22 -0.47 3.13 2.07 -0.86 -2.60 116.25 118.77 1lj1 h VAL 46 Ca 0.04 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.05 1lj1 h VAL 46 Cb 0.54 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1lj1 h VAL 46 CO 0.02 0.26 0.33 0.00 0.02 0.00 0.00 177.57 178.20 1lj1 h ALA 47 N 1.38 2.25 0.00 1.67 0.00 -0.75 0.54 119.26 124.35 1lj1 h ALA 47 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1lj1 h ALA 47 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1lj1 h ALA 47 CO -0.03 -0.37 -0.02 0.93 0.00 0.00 0.00 179.25 179.76 1lj1 h GLU 48 N 0.14 0.00 -0.02 0.00 4.39 -1.34 -1.31 114.58 116.43 1lj1 h GLU 48 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1lj1 h GLU 48 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1lj1 h GLU 48 CO -0.03 0.02 -0.14 0.25 -1.16 0.00 0.00 179.01 177.94 1lj1 n THR 49 N -3.23 0.00 -2.39 1.13 -2.24 0.18 -4.49 114.28 103.24 1lj1 n THR 49 Ca -0.02 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.37 1lj1 n THR 49 Cb 0.15 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.54 1.42 -2.46 4.28 -2.24 -0.50 -5.09 114.28 110.24 1lj1 n THR 50 Ca 0.14 -2.85 -0.41 0.00 -2.27 0.00 0.00 64.05 58.65 1lj1 n THR 50 Cb 0.49 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.82 4.51 0.31 -0.78 1.02 -1.22 -4.51 119.74 116.24 1lj1 s LYS 51 Ca 0.36 1.76 0.11 0.00 0.02 0.00 0.00 55.97 58.21 1lj1 s LYS 51 Cb 0.36 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1lj1 s LYS 51 CO -0.05 -0.09 -0.12 -1.01 -0.92 0.00 0.00 175.35 173.16 1lj1 s HIS 52 N 0.34 2.40 0.15 3.18 3.76 -0.76 -5.05 115.29 119.31 1lj1 s HIS 52 Ca 0.54 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.78 1lj1 s HIS 52 Cb -0.30 -1.20 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 1lj1 s HIS 52 CO 0.33 0.64 1.57 0.93 -0.85 0.00 0.00 174.74 177.35 1lj1 h GLU 53 N 2.09 -0.34 -0.21 1.40 5.08 -2.04 -3.27 114.58 117.31 1lj1 h GLU 53 Ca -0.41 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1lj1 h GLU 53 Cb 1.25 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1lj1 h GLU 53 CO 0.64 -0.22 0.00 0.72 -1.00 0.00 0.00 179.01 179.15 1lj1 n HIS 54 N -5.41 0.46 -3.49 4.33 8.25 -1.26 -5.03 115.22 113.07 1lj1 n HIS 54 Ca -0.01 -0.69 -0.10 0.00 -0.26 0.00 0.00 57.72 56.66 1lj1 n HIS 54 Cb 0.35 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.83 -0.43 -0.27 4.41 -0.85 -1.23 -4.85 117.35 112.30 1lj1 s TYR 55 Ca 0.26 0.35 -0.08 0.00 -0.52 0.00 0.00 57.07 57.09 1lj1 s TYR 55 Cb 0.19 0.53 0.13 0.00 0.38 0.00 0.00 41.96 43.18 1lj1 s TYR 55 CO 0.09 -0.62 0.57 1.21 -1.52 0.00 0.00 175.55 175.28 1lj1 s ASN 56 N -2.33 -0.86 0.47 -0.18 3.04 -1.26 -1.83 114.94 111.98 1lj1 s ASN 56 Ca 0.02 1.28 0.18 0.00 0.04 0.00 0.00 52.86 54.38 1lj1 s ASN 56 Cb -0.01 1.97 1.16 0.00 -1.54 0.00 0.00 41.25 42.83 1lj1 s ASN 56 CO -0.08 -0.23 1.98 0.00 -3.04 0.00 0.00 177.10 175.73 1lj1 h ALA 57 N 8.06 2.19 -0.71 1.71 0.00 -1.97 -1.87 119.26 126.66 1lj1 h ALA 57 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1lj1 h ALA 57 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1lj1 h ALA 57 CO 0.13 -0.33 0.00 0.72 0.00 0.00 0.00 179.25 179.77 1lj1 n HIS 58 N -4.45 1.06 -3.34 0.00 8.25 -1.26 -4.74 115.22 110.73 1lj1 n HIS 58 Ca 0.10 -0.50 -0.14 0.00 -0.26 0.00 0.00 57.72 56.92 1lj1 n HIS 58 Cb 0.46 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.19 -0.72 0.22 -1.41 0.00 -0.70 -4.60 121.76 113.35 1lj1 s ALA 59 Ca 0.48 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1lj1 s ALA 59 Cb 0.26 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1lj1 s ALA 59 CO 0.31 -2.01 0.08 -1.13 0.00 0.00 0.00 175.76 173.01 1lj1 n SER 60 N 4.62 1.10 0.03 0.00 3.41 -1.26 -4.38 113.62 117.14 1lj1 n SER 60 Ca 0.07 -2.16 0.10 0.00 -0.26 0.00 0.00 58.87 56.63 1lj1 n SER 60 Cb 0.47 0.55 0.43 0.00 -0.26 0.00 0.00 64.21 65.40 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 -0.49 0.20 -1.74 7.33 1.44 -1.26 -4.84 115.22 115.85 1lj1 n HIS 61 Ca -0.03 0.07 -0.42 0.00 -2.01 0.00 0.00 57.72 55.33 1lj1 n HIS 61 Cb 0.33 -0.61 -0.02 0.00 0.12 0.00 0.00 29.99 29.80 1lj1 n HIS 61 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1lj1 n PHE 62 N -1.67 2.87 -2.29 -1.40 3.01 -1.26 -4.87 117.46 111.85 1lj1 n PHE 62 Ca 0.04 0.21 -0.25 0.00 1.01 0.00 0.00 57.45 58.46 1lj1 n PHE 62 Cb 0.25 -2.62 0.08 0.00 -0.01 0.00 0.00 39.48 37.18 1lj1 n PHE 62 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1lj1 s PRO 63 N -0.22 2.10 0.80 -1.08 0.04 -1.26 -4.94 135.00 130.43 1lj1 s PRO 63 Ca 0.66 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1lj1 s PRO 63 Cb -0.49 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1lj1 s PRO 63 CO 0.46 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1lj1 n GLY 64 N -2.88 -2.05 3.26 0.56 0.00 -1.26 -4.68 105.19 98.15 1lj1 n GLY 64 Ca 0.09 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.03 3.19 -0.03 1.61 2.02 -1.26 -5.05 118.70 119.16 1lj1 s GLU 65 Ca 0.00 -2.32 -0.30 0.00 0.02 0.00 0.00 54.97 52.37 1lj1 s GLU 65 Cb 0.00 -4.21 -0.06 0.00 0.10 0.00 0.00 34.13 29.96 1lj1 s GLU 65 CO 0.00 -1.26 1.65 0.08 0.02 0.00 0.00 175.26 175.75 1lj1 s VAL 66 N 0.40 3.50 0.47 2.63 1.01 -1.26 -4.97 120.40 122.17 1lj1 s VAL 66 Ca 0.15 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 1lj1 s VAL 66 Cb -0.16 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1lj1 s VAL 66 CO -0.05 -0.05 1.15 0.00 0.00 0.00 0.00 175.10 176.15 1lj1 s ALA 67 N 3.79 2.94 0.32 5.51 0.00 -1.26 -4.94 121.76 128.13 1lj1 s ALA 67 Ca 0.74 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1lj1 s ALA 67 Cb -0.34 -3.37 0.53 0.00 0.00 0.00 0.00 23.12 19.93 1lj1 s ALA 67 CO 0.30 -0.64 1.95 0.00 0.00 0.00 0.00 175.76 177.37 1lj1 n THR 69 N -4.39 0.59 0.26 0.00 -2.24 -1.26 -1.29 114.28 105.95 1lj1 n THR 69 Ca 0.06 0.15 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 1lj1 n THR 69 Cb 0.09 -0.91 0.69 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.00 0.00 3.42 0.02 -1.59 -3.33 113.55 112.08 1lj1 h SER 70 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lj1 h SER 70 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1lj1 h SER 70 CO 0.00 0.00 -0.70 0.00 -1.14 0.00 0.00 176.83 174.99 1lj1 s HIS 72 N -1.70 3.13 0.61 0.00 3.76 -0.41 -3.91 115.29 116.77 1lj1 s HIS 72 Ca 0.00 -0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 54.09 1lj1 s HIS 72 Cb 0.00 -3.41 -0.02 0.00 1.11 0.00 0.00 32.58 30.26 1lj1 s HIS 72 CO 0.00 -0.94 0.99 -1.12 -0.85 0.00 0.00 174.74 172.82 1lj1 s SER 73 N 2.69 6.01 -0.23 1.40 0.01 -1.26 -4.24 113.70 118.09 1lj1 s SER 73 Ca 0.10 1.21 -0.17 0.00 1.31 0.00 0.00 55.95 58.40 1lj1 s SER 73 Cb -0.22 -2.24 -0.17 0.00 0.21 0.00 0.00 66.02 63.60 1lj1 s SER 73 CO 0.09 -0.94 0.02 0.00 0.41 0.00 0.00 173.24 172.83 1lj1 n ALA 74 N -2.71 0.96 -0.48 1.44 0.00 -1.26 -4.53 120.51 113.92 1lj1 n ALA 74 Ca 0.05 -0.72 0.11 0.00 0.00 0.00 0.00 53.44 52.88 1lj1 n ALA 74 Cb 0.55 -0.33 0.34 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.23 1.21 -3.69 0.00 8.25 -1.26 -0.70 115.22 114.80 1lj1 n HIS 75 Ca -0.40 -0.55 -0.10 0.00 -0.26 0.00 0.00 57.72 56.41 1lj1 n HIS 75 Cb 0.80 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.35 1.15 0.70 -0.41 -1.05 -1.26 -4.99 118.70 111.48 1lj1 s GLU 76 Ca 0.51 -0.79 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 1lj1 s GLU 76 Cb 0.29 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.48 1lj1 s GLU 76 CO 0.30 -0.46 1.20 0.15 0.95 0.00 0.00 175.26 177.41 1lj1 s LYS 77 N -3.83 2.33 0.27 -4.83 1.02 -1.26 -4.57 119.74 108.87 1lj1 s LYS 77 Ca 0.06 1.75 0.02 0.00 0.02 0.00 0.00 55.97 57.82 1lj1 s LYS 77 Cb 0.01 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.43 1lj1 s LYS 77 CO -0.09 -1.68 0.17 -1.54 -0.92 0.00 0.00 175.35 171.28 1lj1 s SER 78 N -1.99 1.06 0.09 2.83 1.04 -0.55 -4.86 113.70 111.33 1lj1 s SER 78 Ca 0.74 -1.52 0.07 0.00 0.48 0.00 0.00 55.95 55.72 1lj1 s SER 78 Cb -0.29 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1lj1 s SER 78 CO 0.43 -0.89 -0.09 -0.04 0.98 0.00 0.00 173.24 173.62 1lj1 s MET 79 N -3.88 2.18 -0.23 4.02 -1.94 -1.25 -0.94 119.30 117.25 1lj1 s MET 79 Ca 0.38 -0.99 -0.24 0.00 -1.71 0.00 0.00 55.69 53.13 1lj1 s MET 79 Cb 0.05 -2.33 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 1lj1 s MET 79 CO 0.17 0.52 0.82 0.08 -0.01 0.00 0.00 175.02 176.60 1lj1 s VAL 80 N -1.20 4.85 0.33 -6.03 1.01 -1.26 -4.47 120.40 113.62 1lj1 s VAL 80 Ca 0.21 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.77 1lj1 s VAL 80 Cb -0.11 -4.11 0.18 0.00 0.00 0.00 0.00 36.38 32.34 1lj1 s VAL 80 CO 0.13 -0.06 1.90 0.22 0.00 0.00 0.00 175.10 177.29 1lj1 h TYR 81 N 7.64 0.68 -0.22 5.22 3.20 -1.93 -0.98 116.97 130.58 1lj1 h TYR 81 Ca -0.24 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.65 1lj1 h TYR 81 Cb 1.10 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1lj1 h TYR 81 CO 0.75 0.57 0.28 0.00 -1.64 0.00 0.00 178.16 178.12 1lj1 n ASP 83 N -3.64 0.42 0.06 0.00 10.43 -0.37 -1.73 116.55 121.72 1lj1 n ASP 83 Ca 0.03 0.62 0.10 0.00 2.57 0.00 0.00 54.79 58.11 1lj1 n ASP 83 Cb 0.41 -0.70 0.42 0.00 1.84 0.00 0.00 41.12 43.09 1lj1 n ASP 83 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1lj1 n SER 84 N -1.99 0.32 0.00 -2.24 3.41 -0.75 -4.26 113.62 108.11 1lj1 n SER 84 Ca 0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1lj1 n SER 84 Cb 0.17 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1lj1 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lj1 s HIS 86 N -1.46 2.57 -0.50 0.00 3.76 -0.71 -4.81 115.29 114.14 1lj1 s HIS 86 Ca 0.00 -0.58 0.06 0.00 -0.15 0.00 0.00 55.06 54.40 1lj1 s HIS 86 Cb 0.00 -1.79 0.38 0.00 1.11 0.00 0.00 32.58 32.27 1lj1 s HIS 86 CO 0.00 0.33 0.99 0.43 -0.85 0.00 0.00 174.74 175.64 1lj1 n SER 87 N -1.09 4.05 -4.70 1.40 7.64 -1.26 -4.17 113.62 115.49 1lj1 n SER 87 Ca -0.03 -3.58 -0.30 0.00 1.01 0.00 0.00 58.87 55.97 1lj1 n SER 87 Cb 0.65 -0.53 0.14 0.00 -1.01 0.00 0.00 64.21 63.46 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 -3.38 2.16 -0.58 1.43 2.99 -1.26 -4.95 117.98 114.39 1lj1 s PHE 88 Ca 0.46 1.48 -0.23 0.00 0.00 0.00 0.00 56.93 58.64 1lj1 s PHE 88 Cb 0.34 -3.16 0.05 0.00 0.00 0.00 0.00 43.02 40.25 1lj1 s PHE 88 CO -0.14 -2.42 0.93 0.34 -0.00 0.00 0.00 175.22 173.94 1lj1 s ASP 89 N -3.16 6.28 0.03 1.36 2.15 -1.26 -5.00 116.67 117.06 1lj1 s ASP 89 Ca 0.64 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 53.09 1lj1 s ASP 89 Cb -0.19 -2.42 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 1lj1 s ASP 89 CO 0.58 -1.28 -0.17 -0.36 -0.17 0.00 0.00 175.17 173.77 1lj1 s PHE 90 N 3.93 1.47 -0.54 -5.34 2.99 -1.26 -5.07 117.98 114.15 1lj1 s PHE 90 Ca 0.27 -0.34 0.07 0.00 0.00 0.00 0.00 56.93 56.92 1lj1 s PHE 90 Cb -0.14 -0.89 0.31 0.00 0.00 0.00 0.00 43.02 42.30 1lj1 s PHE 90 CO 0.16 0.04 0.83 0.09 -0.00 0.00 0.00 175.22 176.34 1lj1 n ASN 91 N 2.05 3.33 -4.73 1.36 4.13 -1.26 -5.08 115.26 115.06 1lj1 n ASN 91 Ca -0.17 -3.43 -0.41 0.00 1.68 0.00 0.00 54.58 52.25 1lj1 n ASN 91 Cb 0.54 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 38.15 1lj1 n ASN 91 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1lj1 s MET 92 N -2.86 4.44 0.49 3.52 1.75 -1.26 -4.96 119.30 120.41 1lj1 s MET 92 Ca 0.44 1.94 -0.24 0.00 -1.25 0.00 0.00 55.69 56.58 1lj1 s MET 92 Cb 0.25 -3.24 -0.07 0.00 2.84 0.00 0.00 34.83 34.61 1lj1 s MET 92 CO -0.10 -0.19 1.40 -2.30 -0.65 0.00 0.00 175.02 173.19 1lj1 n PRO 93 N 2.79 2.02 -3.76 4.11 -0.02 -1.26 -2.99 135.00 135.90 1lj1 n PRO 93 Ca 0.06 0.73 -0.27 0.00 -2.02 0.00 0.00 63.50 62.00 1lj1 n PRO 93 Cb 0.44 -2.60 0.05 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.54 -2.58 -2.51 6.00 4.01 -1.26 -4.87 117.16 115.41 1lj1 n TYR 94 Ca 0.07 0.96 -0.28 0.00 -0.16 0.00 0.00 57.90 58.50 1lj1 n TYR 94 Cb 0.43 -4.51 0.00 0.00 -0.31 0.00 0.00 39.34 34.95 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 -3.32 3.35 0.05 -0.72 0.00 -1.16 -1.48 121.76 118.49 1lj1 s ALA 95 Ca 0.61 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1lj1 s ALA 95 Cb -0.29 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1lj1 s ALA 95 CO 0.78 -0.45 -0.02 -1.59 0.00 0.00 0.00 175.76 174.47 1lj1 s LYS 96 N -4.83 0.61 0.40 0.00 -2.85 -0.12 -4.70 119.74 108.25 1lj1 s LYS 96 Ca 0.49 -1.19 -0.26 0.00 -1.00 0.00 0.00 55.97 54.00 1lj1 s LYS 96 Cb -0.10 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 35.79 1lj1 s LYS 96 CO 0.46 -0.11 1.31 0.21 0.10 0.00 0.00 175.35 177.32 1lj1 s LYS 97 N -3.84 4.02 0.20 1.78 2.20 -1.26 -4.42 119.74 118.41 1lj1 s LYS 97 Ca 0.06 2.19 -0.32 0.00 -0.36 0.00 0.00 55.97 57.54 1lj1 s LYS 97 Cb 0.07 -2.81 -0.12 0.00 -1.51 0.00 0.00 37.83 33.47 1lj1 s LYS 97 CO -0.10 -0.46 1.75 1.87 -0.36 0.00 0.00 175.35 178.05 1lj1 n TRP 98 N 0.22 2.75 -3.63 4.03 -0.00 -1.26 -4.94 117.44 114.61 1lj1 n TRP 98 Ca 0.03 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.47 1lj1 n TRP 98 Cb 0.43 -2.69 -0.08 0.00 -0.00 0.00 0.00 31.31 28.98 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 1.43 -0.82 -0.27 5.87 0.20 -1.26 -5.05 118.68 118.78 1lj1 s LEU 99 Ca 0.76 1.15 -0.12 0.00 0.69 0.00 0.00 54.13 56.60 1lj1 s LEU 99 Cb -0.50 1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 46.88 1lj1 s LEU 99 CO 0.33 -0.23 0.25 -0.60 -0.29 0.00 0.00 176.35 175.81 1lj1 s ARG 100 N 2.71 3.99 -0.37 1.98 6.06 -1.26 -5.01 118.95 127.05 1lj1 s ARG 100 Ca -0.02 -0.18 0.03 0.00 -2.50 0.00 0.00 55.73 53.06 1lj1 s ARG 100 Cb -0.12 -3.64 0.15 0.00 0.06 0.00 0.00 34.95 31.40 1lj1 s ARG 100 CO -0.15 -0.18 0.35 0.34 -2.50 0.00 0.00 175.30 173.17 1lj1 s ASP 101 N 1.61 1.45 -0.24 -2.12 3.68 -1.26 -5.10 116.67 114.69 1lj1 s ASP 101 Ca 0.10 -1.78 -0.09 0.00 2.13 0.00 0.00 52.55 52.91 1lj1 s ASP 101 Cb -0.16 0.37 -0.04 0.00 -1.45 0.00 0.00 42.92 41.64 1lj1 s ASP 101 CO 0.10 -0.26 0.12 -0.70 0.13 0.00 0.00 175.17 174.56 1lj1 s GLU 102 N 1.28 3.88 0.54 4.34 2.12 -1.26 -5.09 118.70 124.49 1lj1 s GLU 102 Ca 0.18 -0.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 1lj1 s GLU 102 Cb -0.16 -3.44 -0.07 0.00 0.26 0.00 0.00 34.13 30.73 1lj1 s GLU 102 CO -0.02 -0.05 1.03 -2.30 -0.54 0.00 0.00 175.26 173.37 1lj1 n PRO 103 N 4.59 1.16 -1.70 4.30 -0.02 -1.26 -5.00 135.00 137.07 1lj1 n PRO 103 Ca -0.15 0.43 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 1lj1 n PRO 103 Cb 0.52 -2.19 0.06 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.42 3.50 0.25 3.45 -4.23 -1.26 -4.90 115.64 111.04 1lj1 s THR 104 Ca 0.71 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.67 1lj1 s THR 104 Cb -0.46 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1lj1 s THR 104 CO 0.51 -0.64 1.81 0.40 -0.54 0.00 0.00 174.62 176.16 1lj1 h ILE 105 N -0.82 0.92 -0.36 2.99 1.08 -1.94 -1.40 117.51 117.97 1lj1 h ILE 105 Ca -0.46 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1lj1 h ILE 105 Cb 1.25 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1lj1 h ILE 105 CO 0.61 0.15 0.18 0.00 -0.69 0.00 0.00 178.15 178.40 1lj1 h ALA 106 N 1.46 0.44 0.00 1.87 0.00 -1.99 -2.10 119.26 118.94 1lj1 h ALA 106 Ca 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1lj1 h ALA 106 Cb 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1lj1 h ALA 106 CO -0.24 -0.18 -0.11 0.93 0.00 0.00 0.00 179.25 179.64 1lj1 h GLU 107 N 0.38 0.00 0.00 0.00 5.08 -1.64 -1.65 114.58 116.74 1lj1 h GLU 107 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1lj1 h GLU 107 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1lj1 h GLU 107 CO -0.10 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 1lj1 n LEU 108 N -4.21 0.00 0.21 1.33 4.77 -0.79 -2.66 117.00 115.65 1lj1 n LEU 108 Ca -0.03 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1lj1 n LEU 108 Cb 0.19 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.67 1lj1 n LEU 108 CO 0.34 -0.03 0.84 0.00 -1.33 0.00 0.00 177.39 177.21 1lj1 h ALA 109 N 2.95 1.58 0.00 -1.18 0.00 -1.35 -2.10 119.26 119.16 1lj1 h ALA 109 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1lj1 h ALA 109 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lj1 h ALA 109 CO 0.00 0.32 0.00 0.36 0.00 0.00 0.00 179.25 179.93 1lj1 n LYS 110 N -4.24 0.11 -0.80 0.00 2.85 -1.09 -1.74 118.16 113.25 1lj1 n LYS 110 Ca -0.02 0.59 -0.14 0.00 -1.05 0.00 0.00 58.31 57.68 1lj1 n LYS 110 Cb 0.30 -1.84 0.13 0.00 -0.65 0.00 0.00 35.03 32.97 1lj1 n LYS 110 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1lj1 n ASP 111 N -2.07 3.54 0.03 -5.58 10.43 -0.79 -4.67 116.55 117.44 1lj1 n ASP 111 Ca -0.01 -3.03 -0.11 0.00 2.57 0.00 0.00 54.79 54.21 1lj1 n ASP 111 Cb 0.04 -0.72 -0.04 0.00 1.84 0.00 0.00 41.12 42.24 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 0.79 -0.35 -6.29 -1.24 1.63 -1.56 -1.39 116.57 108.16 1lj1 h LYS 112 Ca 0.39 0.02 -0.55 0.00 -0.85 0.00 0.00 60.65 59.66 1lj1 h LYS 112 Cb 2.19 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 33.87 1lj1 h LYS 112 CO 0.71 -0.24 0.56 0.45 -3.45 0.00 0.00 179.45 177.48 1lj1 s SER 113 N -4.93 7.24 0.00 4.20 0.15 -1.26 -1.17 113.70 117.93 1lj1 s SER 113 Ca -0.15 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1lj1 s SER 113 Cb 0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1lj1 s SER 113 CO 0.66 -0.44 0.00 1.21 1.20 0.00 0.00 173.24 175.87 1lj1 n GLU 114 N 4.88 0.00 -0.06 5.44 2.13 -1.23 -4.79 120.64 127.00 1lj1 n GLU 114 Ca 0.09 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.75 1lj1 n GLU 114 Cb 0.49 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.14 1lj1 n GLU 114 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lj1 h ARG 115 N 0.00 0.84 -0.62 5.31 3.08 -1.09 -1.64 114.38 120.26 1lj1 h ARG 115 Ca 0.00 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.41 1lj1 h ARG 115 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1lj1 h ARG 115 CO 0.00 1.20 0.12 1.96 -1.07 0.00 0.00 179.97 182.18 1lj1 h GLN 116 N 0.61 1.02 -0.37 0.04 4.20 -1.39 -1.31 115.11 117.92 1lj1 h GLN 116 Ca -0.00 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1lj1 h GLN 116 Cb 1.21 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1lj1 h GLN 116 CO 0.13 0.94 -0.11 0.00 -0.67 0.00 0.00 178.83 179.12 1lj1 h ALA 117 N 1.03 1.11 -0.44 3.87 0.00 -1.81 -1.30 119.26 121.73 1lj1 h ALA 117 Ca 0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1lj1 h ALA 117 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1lj1 h ALA 117 CO 0.01 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 1lj1 h ALA 118 N 1.29 0.61 0.00 0.00 0.00 -0.71 -2.85 119.26 117.60 1lj1 h ALA 118 Ca 0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1lj1 h ALA 118 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1lj1 h ALA 118 CO 0.03 0.58 -0.20 -0.07 0.00 0.00 0.00 179.25 179.60 1lj1 h LEU 119 N 0.74 0.00 -0.15 0.00 3.38 -0.98 -2.30 115.31 116.00 1lj1 h LEU 119 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1lj1 h LEU 119 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1lj1 h LEU 119 CO 0.06 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1lj1 h ALA 120 N 1.80 1.00 -2.53 1.53 0.00 -1.16 -3.46 119.26 116.45 1lj1 h ALA 120 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1lj1 h ALA 120 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.40 1lj1 h ALA 120 CO 0.03 0.00 0.39 -1.12 0.00 0.00 0.00 179.25 178.54 1lj1 s SER 121 N -6.06 4.71 0.69 0.00 0.01 -0.87 -5.04 113.70 107.15 1lj1 s SER 121 Ca 0.07 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.16 1lj1 s SER 121 Cb 0.06 -1.64 0.02 0.00 0.21 0.00 0.00 66.02 64.67 1lj1 s SER 121 CO 0.65 -1.80 1.19 0.00 0.41 0.00 0.00 173.24 173.70 1lj1 s ALA 122 N -3.41 2.27 0.54 1.44 0.00 -1.26 -4.96 121.76 116.37 1lj1 s ALA 122 Ca 0.61 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 1lj1 s ALA 122 Cb -0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1lj1 s ALA 122 CO 0.51 -1.63 1.25 -1.25 0.00 0.00 0.00 175.76 174.64 1lj1 s PRO 123 N -3.81 3.27 0.18 0.00 0.04 -1.26 -4.83 135.00 128.58 1lj1 s PRO 123 Ca 0.74 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.82 1lj1 s PRO 123 Cb -0.28 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1lj1 s PRO 123 CO 0.42 -1.00 1.40 1.25 0.04 0.00 0.00 177.00 179.11 1lj1 h HIS 124 N 1.44 0.00 -3.65 0.56 2.76 -1.34 -3.45 115.15 111.47 1lj1 h HIS 124 Ca -0.50 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.53 1lj1 h HIS 124 Cb 1.28 0.00 -0.19 0.00 1.55 0.00 0.00 27.41 30.05 1lj1 h HIS 124 CO 0.48 0.86 -0.51 -0.51 -1.30 0.00 0.00 177.93 176.96 1lj1 s ASP 125 N -6.75 0.09 -0.24 3.26 1.01 -1.26 -5.08 116.67 107.70 1lj1 s ASP 125 Ca 0.00 -0.35 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1lj1 s ASP 125 Cb 0.11 0.21 0.06 0.00 1.01 0.00 0.00 42.92 44.31 1lj1 s ASP 125 CO 0.80 -0.43 -0.05 -0.89 0.21 0.00 0.00 175.17 174.81 1lj1 s THR 126 N -1.90 1.61 0.26 -1.27 2.01 -1.26 -0.96 115.64 114.13 1lj1 s THR 126 Ca -0.11 -1.32 0.04 0.00 0.31 0.00 0.00 61.69 60.61 1lj1 s THR 126 Cb -0.05 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1lj1 s THR 126 CO -0.01 -0.13 0.13 1.33 -0.69 0.00 0.00 174.62 175.25 1lj1 n VAL 127 N 4.63 0.00 -0.04 3.82 0.24 -0.62 -5.00 118.33 121.37 1lj1 n VAL 127 Ca -0.11 -1.65 -0.20 0.00 -2.04 0.00 0.00 64.34 60.34 1lj1 n VAL 127 Cb 0.44 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.22 0.21 -3.68 -1.34 3.32 -1.53 -3.34 116.42 111.27 1lj1 h ASP 128 Ca -0.20 -0.79 -0.28 0.00 0.02 0.00 0.00 57.03 55.78 1lj1 h ASP 128 Cb 0.83 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.01 1lj1 h ASP 128 CO 0.31 1.46 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.86 1lj1 s VAL 129 N -2.40 0.08 -0.15 -1.35 1.01 -0.74 -2.23 120.40 114.62 1lj1 s VAL 129 Ca -0.22 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1lj1 s VAL 129 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1lj1 s VAL 129 CO 0.71 0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 175.13 1lj1 s VAL 130 N 0.36 3.75 -0.20 2.92 1.01 -0.43 -2.18 120.40 125.63 1lj1 s VAL 130 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1lj1 s VAL 130 Cb -0.05 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1lj1 s VAL 130 CO -0.01 0.50 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1lj1 s VAL 131 N 0.39 4.38 -0.40 2.92 1.01 -0.08 -1.80 120.40 126.81 1lj1 s VAL 131 Ca -0.05 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1lj1 s VAL 131 Cb -0.14 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1lj1 s VAL 131 CO 0.03 0.42 0.29 -0.69 0.00 0.00 0.00 175.10 175.16 1lj1 s VAL 132 N 0.82 5.18 0.00 2.92 1.01 0.24 -1.27 120.40 129.31 1lj1 s VAL 132 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1lj1 s VAL 132 Cb -0.14 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1lj1 s VAL 132 CO 0.02 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1lj1 n GLY 133 N 5.14 3.86 2.10 4.51 0.00 0.49 -1.63 105.19 119.66 1lj1 n GLY 133 Ca -0.11 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 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 5.83 -2.09 1.61 3.41 -1.26 -3.89 113.62 117.24 1lj1 n SER 134 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1lj1 n SER 134 Cb 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 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 -0.94 0.01 0.28 5.00 0.00 -1.26 -1.09 105.19 107.19 1lj1 n GLY 135 Ca 0.55 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 1.04 0.98 -0.02 0.00 -1.92 -2.17 103.07 100.98 1lj1 h GLY 136 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 1lj1 h GLY 136 CO 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 176.54 177.07 1lj1 h ALA 137 N 1.02 0.55 -0.17 3.60 0.00 -1.89 -2.24 119.26 120.14 1lj1 h ALA 137 Ca 0.18 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1lj1 h ALA 137 Cb 0.40 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1lj1 h ALA 137 CO 0.01 0.42 -0.74 0.78 0.00 0.00 0.00 179.25 179.72 1lj1 h GLY 138 N 0.58 0.85 0.98 0.00 0.00 -1.65 -0.91 103.07 102.93 1lj1 h GLY 138 Ca 0.10 -1.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.24 1lj1 h GLY 138 CO 0.04 1.04 0.26 0.74 0.00 0.00 0.00 176.54 178.62 1lj1 h PHE 139 N 0.54 0.80 -0.91 5.60 0.04 -1.46 -1.16 116.94 120.38 1lj1 h PHE 139 Ca -0.04 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1lj1 h PHE 139 Cb 1.36 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 39.22 1lj1 h PHE 139 CO 0.08 0.63 0.57 0.77 -0.60 0.00 0.00 178.31 179.75 1lj1 h SER 140 N 0.75 1.08 -0.23 2.17 0.02 -1.20 -2.12 113.55 114.02 1lj1 h SER 140 Ca 0.19 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 1lj1 h SER 140 Cb 0.13 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1lj1 h SER 140 CO -0.02 0.82 -0.33 0.00 -1.14 0.00 0.00 176.83 176.16 1lj1 h ALA 141 N 1.31 0.79 -0.28 3.77 0.00 -1.01 -1.56 119.26 122.28 1lj1 h ALA 141 Ca 0.33 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1lj1 h ALA 141 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1lj1 h ALA 141 CO -0.06 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.92 1lj1 h ALA 142 N 1.01 0.37 0.25 0.00 0.00 -1.05 -1.30 119.26 118.54 1lj1 h ALA 142 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1lj1 h ALA 142 Cb 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1lj1 h ALA 142 CO 0.07 -0.00 -0.12 0.82 0.00 0.00 0.00 179.25 180.02 1lj1 h ILE 143 N 0.29 0.81 -0.57 0.00 2.04 -1.36 -1.73 117.51 117.00 1lj1 h ILE 143 Ca 0.09 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1lj1 h ILE 143 Cb 0.24 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1lj1 h ILE 143 CO -0.00 0.09 0.11 0.77 0.00 0.00 0.00 178.15 179.12 1lj1 h SER 144 N -0.55 0.85 -0.48 1.72 4.64 -1.29 -0.81 113.55 117.64 1lj1 h SER 144 Ca -0.03 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1lj1 h SER 144 Cb 0.41 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1lj1 h SER 144 CO 0.06 0.85 0.04 0.00 -0.87 0.00 0.00 176.83 176.91 1lj1 h ALA 145 N 1.25 0.64 -0.20 5.18 0.00 -1.29 -2.14 119.26 122.70 1lj1 h ALA 145 Ca 0.18 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1lj1 h ALA 145 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1lj1 h ALA 145 CO 0.01 0.40 -0.03 1.15 0.00 0.00 0.00 179.25 180.78 1lj1 h THR 146 N 0.68 0.83 0.00 0.00 2.02 -1.11 -1.48 112.91 113.84 1lj1 h THR 146 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1lj1 h THR 146 Cb 0.45 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1lj1 h THR 146 CO 0.02 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.38 1lj1 n ASP 147 N -5.17 0.43 -0.61 4.18 8.00 -0.33 -1.42 116.55 121.63 1lj1 n ASP 147 Ca -0.02 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.17 1lj1 n ASP 147 Cb 0.12 -0.70 0.26 0.00 -0.02 0.00 0.00 41.12 40.78 1lj1 n ASP 147 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1lj1 n SER 148 N -1.98 1.79 0.00 -2.24 7.64 -0.64 -4.94 113.62 113.25 1lj1 n SER 148 Ca 0.02 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1lj1 n SER 148 Cb 0.20 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.10 0.64 3.85 0.23 0.00 -0.51 -4.90 105.19 105.61 1lj1 n GLY 149 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.37 3.21 -0.25 4.61 0.00 -0.74 -5.00 121.76 121.21 1lj1 s ALA 150 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1lj1 s ALA 150 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1lj1 s ALA 150 CO 0.00 -0.03 0.26 0.21 0.00 0.00 0.00 175.76 176.20 1lj1 s LYS 151 N -3.74 4.04 0.14 0.00 2.47 -1.26 -4.11 119.74 117.28 1lj1 s LYS 151 Ca 0.55 -0.12 0.10 0.00 -1.56 0.00 0.00 55.97 54.94 1lj1 s LYS 151 Cb -0.10 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 1lj1 s LYS 151 CO 0.28 -0.10 -0.22 0.08 0.16 0.00 0.00 175.35 175.54 1lj1 s VAL 152 N 1.54 2.53 -0.11 4.02 1.01 -1.26 -1.43 120.40 126.70 1lj1 s VAL 152 Ca 0.11 -1.73 0.03 0.00 0.00 0.00 0.00 61.98 60.39 1lj1 s VAL 152 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1lj1 s VAL 152 CO 0.08 0.03 -0.20 -0.63 0.00 0.00 0.00 175.10 174.39 1lj1 s ILE 153 N -1.27 1.81 -0.24 2.22 1.01 -0.93 -4.18 121.20 119.63 1lj1 s ILE 153 Ca 0.18 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1lj1 s ILE 153 Cb -0.10 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1lj1 s ILE 153 CO 0.09 0.50 0.00 -0.22 0.00 0.00 0.00 174.94 175.32 1lj1 s LEU 154 N 0.70 3.18 0.13 2.97 2.96 -0.45 -0.91 118.68 127.26 1lj1 s LEU 154 Ca -0.11 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1lj1 s LEU 154 Cb -0.16 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1lj1 s LEU 154 CO 0.02 -0.05 -0.12 0.27 -1.32 0.00 0.00 176.35 175.15 1lj1 s ILE 155 N 1.51 3.20 -0.05 6.68 -4.36 -0.39 -1.37 121.20 126.42 1lj1 s ILE 155 Ca 0.05 -1.43 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 1lj1 s ILE 155 Cb -0.15 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.07 1lj1 s ILE 155 CO -0.01 0.05 0.02 -0.70 0.24 0.00 0.00 174.94 174.53 1lj1 s GLU 156 N -2.37 0.34 0.29 0.37 2.56 -0.59 -0.38 118.70 118.93 1lj1 s GLU 156 Ca 0.22 0.16 0.10 0.00 0.00 0.00 0.00 54.97 55.44 1lj1 s GLU 156 Cb -0.10 -0.70 0.41 0.00 2.00 0.00 0.00 34.13 35.74 1lj1 s GLU 156 CO 0.13 -0.25 1.65 1.57 -0.56 0.00 0.00 175.26 177.80 1lj1 h LYS 157 N 8.00 0.06 -7.50 4.30 2.10 -1.83 -0.72 116.57 120.99 1lj1 h LYS 157 Ca -0.25 -0.04 -0.46 0.00 -2.00 0.00 0.00 60.65 57.90 1lj1 h LYS 157 Cb 1.13 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.59 1lj1 h LYS 157 CO 0.30 0.60 0.31 -1.21 -2.00 0.00 0.00 179.45 177.45 1lj1 s GLU 158 N -3.78 1.32 0.23 0.07 0.41 -1.26 -3.97 118.70 111.71 1lj1 s GLU 158 Ca -0.02 0.31 0.26 0.00 -0.41 0.00 0.00 54.97 55.11 1lj1 s GLU 158 Cb 0.13 -1.86 0.78 0.00 -1.78 0.00 0.00 34.13 31.40 1lj1 s GLU 158 CO 0.76 -2.08 1.76 -1.00 -0.49 0.00 0.00 175.26 174.21 1lj1 h PRO 159 N -1.41 0.00 -6.38 0.39 0.13 -1.94 -2.80 132.00 119.98 1lj1 h PRO 159 Ca -0.50 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.03 1lj1 h PRO 159 Cb 1.33 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.23 1lj1 h PRO 159 CO 0.62 0.00 -0.84 0.14 -0.23 0.00 0.00 178.00 177.69 1lj1 s VAL 160 N -3.12 1.87 0.87 1.56 -7.23 -1.26 -4.69 120.40 108.40 1lj1 s VAL 160 Ca 0.10 -1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 1lj1 s VAL 160 Cb 0.12 -1.67 0.12 0.00 0.56 0.00 0.00 36.38 35.50 1lj1 s VAL 160 CO 0.59 0.06 1.14 0.27 -0.31 0.00 0.00 175.10 176.86 1lj1 s ILE 161 N -1.04 2.10 0.00 -0.62 -4.36 -1.26 -4.66 121.20 111.36 1lj1 s ILE 161 Ca 0.09 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 1lj1 s ILE 161 Cb -0.10 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.76 1lj1 s ILE 161 CO 0.04 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1lj1 n GLY 162 N -2.50 2.38 7.00 6.27 0.00 -0.25 -4.91 105.19 113.17 1lj1 n GLY 162 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.86 0.14 -0.02 0.00 -1.26 -1.78 105.19 103.14 1lj1 n GLY 163 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 2.13 0.00 -0.47 1.61 2.35 -1.96 -3.36 115.58 115.88 1lj1 h ASN 164 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1lj1 h ASN 164 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1lj1 h ASN 164 CO 0.00 0.07 0.31 0.00 -1.65 0.00 0.00 177.43 176.16 1lj1 h ALA 165 N 1.93 1.91 0.00 -0.83 0.00 -1.74 -1.40 119.26 119.12 1lj1 h ALA 165 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lj1 h ALA 165 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1lj1 h ALA 165 CO 0.01 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.63 1lj1 n LYS 166 N -4.48 0.15 0.00 0.00 2.85 -0.93 -2.13 118.16 113.62 1lj1 n LYS 166 Ca 0.06 0.41 0.11 0.00 -1.05 0.00 0.00 58.31 57.84 1lj1 n LYS 166 Cb 0.23 -1.79 0.10 0.00 -0.65 0.00 0.00 35.03 32.92 1lj1 n LYS 166 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1lj1 n LEU 167 N -2.07 1.32 -4.74 -5.58 4.77 -0.53 -2.12 117.00 108.05 1lj1 n LEU 167 Ca 0.02 -0.46 -0.40 0.00 -0.03 0.00 0.00 56.01 55.14 1lj1 n LEU 167 Cb 0.20 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1lj1 n LEU 167 CO 0.17 0.26 0.98 0.00 -1.33 0.00 0.00 177.39 177.47 1lj1 n ALA 168 N -0.73 1.64 -0.37 -1.18 0.00 -0.90 -4.86 120.51 114.09 1lj1 n ALA 168 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1lj1 n ALA 168 Cb 0.39 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 -0.59 2.63 0.07 0.00 0.00 -1.26 -0.96 120.51 120.40 1lj1 n ALA 169 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1lj1 n ALA 169 Cb 0.42 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.49 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 0.15 0.00 0.00 0.00 -1.94 -2.27 103.07 99.02 1lj1 h GLY 170 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1lj1 h GLY 170 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1lj1 n GLY 171 N -1.57 1.87 3.28 4.60 0.00 -1.26 -4.72 105.19 107.39 1lj1 n GLY 171 Ca 0.05 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.73 3.16 0.36 1.61 1.75 -0.27 -4.29 119.30 119.88 1lj1 s MET 172 Ca 0.00 -0.78 -0.25 0.00 -1.25 0.00 0.00 55.69 53.41 1lj1 s MET 172 Cb 0.00 -3.08 -0.09 0.00 2.84 0.00 0.00 34.83 34.50 1lj1 s MET 172 CO 0.00 -0.31 1.01 -0.80 -0.65 0.00 0.00 175.02 174.27 1lj1 s ASN 173 N 1.44 7.05 -0.08 1.11 0.01 -0.29 -1.11 114.94 123.06 1lj1 s ASN 173 Ca 0.03 1.97 -0.30 0.00 -0.71 0.00 0.00 52.86 53.86 1lj1 s ASN 173 Cb -0.16 -2.59 0.11 0.00 0.41 0.00 0.00 41.25 39.03 1lj1 s ASN 173 CO -0.02 -0.28 0.90 0.00 -1.51 0.00 0.00 177.10 176.18 1lj1 s ALA 174 N -1.61 -1.86 0.19 0.60 0.00 -1.08 -4.64 121.76 113.36 1lj1 s ALA 174 Ca 0.53 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.80 1lj1 s ALA 174 Cb -0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1lj1 s ALA 174 CO 0.27 -0.45 0.15 0.00 0.00 0.00 0.00 175.76 175.73 1lj1 s ALA 175 N -1.83 0.98 -0.90 0.00 0.00 -1.26 -4.65 121.76 114.10 1lj1 s ALA 175 Ca -0.01 -1.58 -0.25 0.00 0.00 0.00 0.00 51.96 50.12 1lj1 s ALA 175 Cb -0.01 1.28 0.04 0.00 0.00 0.00 0.00 23.12 24.43 1lj1 s ALA 175 CO -0.01 -0.60 1.43 -0.46 0.00 0.00 0.00 175.76 176.12 1lj1 s TRP 176 N -4.13 2.38 0.56 0.00 -0.00 -1.26 -4.15 118.94 112.34 1lj1 s TRP 176 Ca 0.35 -0.44 -0.07 0.00 -0.00 0.00 0.00 56.10 55.93 1lj1 s TRP 176 Cb 0.06 -4.63 -0.03 0.00 -0.00 0.00 0.00 33.47 28.88 1lj1 s TRP 176 CO 0.10 -1.99 0.90 0.95 -0.00 0.00 0.00 176.95 176.91 1lj1 s THR 177 N 5.61 4.52 0.33 5.86 -4.23 -1.26 -4.96 115.64 121.52 1lj1 s THR 177 Ca 0.44 0.38 0.03 0.00 -1.18 0.00 0.00 61.69 61.35 1lj1 s THR 177 Cb -0.04 -3.76 0.19 0.00 1.34 0.00 0.00 72.50 70.23 1lj1 s THR 177 CO 0.00 -0.85 1.91 0.44 -0.54 0.00 0.00 174.62 175.58 1lj1 h ASP 178 N -0.07 0.60 -0.89 3.99 3.45 -1.99 -2.30 116.42 119.22 1lj1 h ASP 178 Ca -0.46 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 56.92 1lj1 h ASP 178 Cb 1.21 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 39.79 1lj1 h ASP 178 CO 0.62 0.58 0.54 1.56 -1.57 0.00 0.00 179.24 180.97 1lj1 h GLN 179 N 0.65 1.20 -0.28 3.56 7.50 -1.93 -0.31 115.11 125.50 1lj1 h GLN 179 Ca 0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 58.65 59.19 1lj1 h GLN 179 Cb 0.20 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 1lj1 h GLN 179 CO -0.01 0.84 0.13 1.96 -1.50 0.00 0.00 178.83 180.25 1lj1 h GLN 180 N 1.22 0.40 -0.58 1.46 4.20 -1.83 -2.56 115.11 117.43 1lj1 h GLN 180 Ca 0.32 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1lj1 h GLN 180 Cb -0.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1lj1 h GLN 180 CO -0.06 0.38 0.17 0.87 -0.67 0.00 0.00 178.83 179.52 1lj1 h LYS 181 N 0.31 0.87 0.00 1.46 1.57 -1.07 0.12 116.57 119.84 1lj1 h LYS 181 Ca 0.10 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1lj1 h LYS 181 Cb 0.12 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1lj1 h LYS 181 CO -0.01 0.76 -0.05 0.00 -0.57 0.00 0.00 179.45 179.58 1lj1 h ALA 182 N 1.34 1.09 -0.60 3.86 0.00 -0.80 -1.74 119.26 122.41 1lj1 h ALA 182 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1lj1 h ALA 182 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lj1 h ALA 182 CO -0.01 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.93 1lj1 n LYS 183 N -3.28 2.58 -2.61 0.00 4.76 -0.13 -4.95 118.16 114.53 1lj1 n LYS 183 Ca -0.01 -2.43 -0.10 0.00 -2.87 0.00 0.00 58.31 52.90 1lj1 n LYS 183 Cb 0.22 -1.53 0.02 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.52 -2.22 -4.36 1.97 4.76 -0.65 -5.02 118.16 114.15 1lj1 n LYS 184 Ca 0.22 0.40 -0.35 0.00 -2.87 0.00 0.00 58.31 55.71 1lj1 n LYS 184 Cb 0.59 -4.18 -0.10 0.00 -1.84 0.00 0.00 35.03 29.50 1lj1 n LYS 184 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1lj1 s ILE 185 N -2.83 4.27 -0.17 -0.18 1.01 -0.30 -5.01 121.20 117.99 1lj1 s ILE 185 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 1lj1 s ILE 185 Cb -0.06 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1lj1 s ILE 185 CO 0.17 0.58 -0.09 -0.89 0.00 0.00 0.00 174.94 174.71 1lj1 s THR 186 N -0.58 3.20 0.12 2.92 2.01 -1.26 -4.00 115.64 118.05 1lj1 s THR 186 Ca 0.10 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1lj1 s THR 186 Cb -0.12 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1lj1 s THR 186 CO 0.02 0.48 0.16 -0.67 -0.69 0.00 0.00 174.62 173.92 1lj1 n ASP 187 N 4.08 -0.44 -3.52 3.53 -0.08 -1.26 -4.94 116.55 113.92 1lj1 n ASP 187 Ca -0.18 -1.63 -0.13 0.00 -1.51 0.00 0.00 54.79 51.34 1lj1 n ASP 187 Cb 0.52 0.83 -0.04 0.00 2.34 0.00 0.00 41.12 44.77 1lj1 n ASP 187 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1lj1 s SER 188 N -1.72 -0.50 0.32 1.67 1.04 -1.26 -4.68 113.70 108.56 1lj1 s SER 188 Ca 0.10 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1lj1 s SER 188 Cb -0.00 0.45 0.64 0.00 0.10 0.00 0.00 66.02 67.21 1lj1 s SER 188 CO 0.07 -0.58 1.88 -0.65 0.98 0.00 0.00 173.24 174.94 1lj1 h PRO 189 N 2.55 0.87 -0.94 4.02 0.11 -1.88 -1.34 132.00 135.38 1lj1 h PRO 189 Ca -0.24 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.85 1lj1 h PRO 189 Cb 1.19 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1lj1 h PRO 189 CO 0.35 0.57 0.62 0.93 -0.21 0.00 0.00 178.00 180.26 1lj1 h GLU 190 N 0.89 1.15 -0.14 1.05 3.07 -1.95 0.17 114.58 118.84 1lj1 h GLU 190 Ca 0.44 -0.07 -0.23 0.00 -0.50 0.00 0.00 59.36 59.00 1lj1 h GLU 190 Cb 0.45 -0.26 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1lj1 h GLU 190 CO -0.20 0.76 -0.80 1.25 -1.40 0.00 0.00 179.01 178.63 1lj1 h LEU 191 N 1.19 0.92 -0.68 1.33 5.85 -1.67 -2.09 115.31 120.16 1lj1 h LEU 191 Ca 0.37 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1lj1 h LEU 191 Cb 0.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1lj1 h LEU 191 CO -0.11 1.41 0.40 -0.03 -0.34 0.00 0.00 178.44 179.76 1lj1 h MET 192 N 0.52 0.93 -0.43 1.25 4.05 -0.75 -0.22 114.93 120.27 1lj1 h MET 192 Ca -0.06 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1lj1 h MET 192 Cb 1.43 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 1lj1 h MET 192 CO 0.16 0.67 0.25 0.35 0.23 0.00 0.00 176.91 178.58 1lj1 h PHE 193 N 0.93 0.58 -0.30 1.39 3.04 -0.53 -1.89 116.94 120.16 1lj1 h PHE 193 Ca 0.24 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1lj1 h PHE 193 Cb -0.01 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1lj1 h PHE 193 CO -0.01 0.42 0.10 1.49 -2.02 0.00 0.00 178.31 178.29 1lj1 h GLU 194 N 0.57 0.46 -0.48 1.11 4.81 -1.18 0.07 114.58 119.94 1lj1 h GLU 194 Ca 0.15 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1lj1 h GLU 194 Cb 0.02 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1lj1 h GLU 194 CO -0.03 0.51 0.23 -0.44 -0.73 0.00 0.00 179.01 178.54 1lj1 h ASP 195 N 0.33 0.31 -0.04 1.04 3.45 -1.03 -0.85 116.42 119.64 1lj1 h ASP 195 Ca 0.10 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 1lj1 h ASP 195 Cb 0.23 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1lj1 h ASP 195 CO -0.00 0.22 0.01 0.74 -1.57 0.00 0.00 179.24 178.63 1lj1 h THR 196 N 0.45 1.22 -0.15 0.35 2.02 -1.07 0.63 112.91 116.36 1lj1 h THR 196 Ca 0.21 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.77 1lj1 h THR 196 Cb 0.14 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1lj1 h THR 196 CO -0.16 0.18 -0.04 0.24 0.37 0.00 0.00 175.52 176.10 1lj1 h MET 197 N -0.19 -0.01 -0.54 6.66 2.86 -0.89 -1.71 114.93 121.11 1lj1 h MET 197 Ca 0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1lj1 h MET 197 Cb 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1lj1 h MET 197 CO 0.00 -0.01 0.19 -0.22 1.06 0.00 0.00 176.91 177.93 1lj1 h LYS 198 N -0.01 0.79 0.00 1.72 3.64 -1.05 -0.61 116.57 121.04 1lj1 h LYS 198 Ca 0.07 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1lj1 h LYS 198 Cb 0.12 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1lj1 h LYS 198 CO -0.16 0.67 -0.23 0.78 -2.27 0.00 0.00 179.45 178.24 1lj1 h GLY 199 N 0.92 0.00 -2.03 5.01 0.00 -0.45 -2.32 103.07 104.21 1lj1 h GLY 199 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1lj1 h GLY 199 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1lj1 n GLY 200 N -0.04 1.59 2.48 4.60 0.00 -0.68 -4.26 105.19 108.88 1lj1 n GLY 200 Ca -0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 0.84 -2.12 -2.08 1.61 6.02 -0.87 -2.29 117.38 118.49 1lj1 n GLN 201 Ca 0.17 0.97 -0.19 0.00 -0.01 0.00 0.00 57.00 57.94 1lj1 n GLN 201 Cb 0.52 -5.65 -0.04 0.00 1.02 0.00 0.00 30.24 26.09 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 -2.06 -5.34 0.08 1.08 3.02 -0.27 -4.86 115.26 106.91 1lj1 n ASN 202 Ca -0.22 0.20 0.05 0.00 -0.03 0.00 0.00 54.58 54.58 1lj1 n ASN 202 Cb 0.67 -4.57 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 1lj1 n ASN 202 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1lj1 h ILE 203 N 0.00 0.29 -3.82 2.41 1.08 -1.72 -3.48 117.51 112.26 1lj1 h ILE 203 Ca -0.43 -1.55 -0.55 0.00 -0.39 0.00 0.00 64.86 61.94 1lj1 h ILE 203 Cb 1.30 1.83 0.17 0.00 -3.07 0.00 0.00 36.82 37.06 1lj1 h ILE 203 CO 0.55 0.16 0.16 0.59 -0.69 0.00 0.00 178.15 178.93 1lj1 n ASN 204 N -2.83 0.71 -4.63 1.72 5.03 -1.26 -4.75 115.26 109.25 1lj1 n ASN 204 Ca -0.04 0.69 -0.43 0.00 0.87 0.00 0.00 54.58 55.67 1lj1 n ASN 204 Cb 0.70 -1.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.01 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 -1.61 6.80 0.39 6.41 3.68 -0.02 -4.91 116.67 127.40 1lj1 s ASP 205 Ca 0.75 0.99 0.05 0.00 2.13 0.00 0.00 52.55 56.47 1lj1 s ASP 205 Cb -0.35 -2.54 0.77 0.00 -1.45 0.00 0.00 42.92 39.35 1lj1 s ASP 205 CO 0.49 -1.01 2.03 1.55 0.13 0.00 0.00 175.17 178.36 1lj1 h PRO 206 N 8.65 0.61 -0.37 4.34 0.13 -1.91 -0.72 132.00 142.74 1lj1 h PRO 206 Ca -0.23 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1lj1 h PRO 206 Cb 1.07 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1lj1 h PRO 206 CO 1.05 0.43 -0.16 0.00 -0.23 0.00 0.00 178.00 179.09 1lj1 h ALA 207 N 1.68 1.03 -0.20 -0.56 0.00 -1.96 0.12 119.26 119.37 1lj1 h ALA 207 Ca 0.17 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1lj1 h ALA 207 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1lj1 h ALA 207 CO -0.03 0.58 -0.66 -0.07 0.00 0.00 0.00 179.25 179.07 1lj1 h LEU 208 N 0.61 0.86 -0.98 0.00 4.07 -1.73 -2.29 115.31 115.85 1lj1 h LEU 208 Ca 0.10 -0.51 -0.07 0.00 0.08 0.00 0.00 57.88 57.48 1lj1 h LEU 208 Cb 0.61 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1lj1 h LEU 208 CO 0.04 1.29 0.01 0.58 -1.08 0.00 0.00 178.44 179.28 1lj1 h VAL 209 N 0.54 1.23 -0.64 1.22 2.07 -0.97 -1.65 116.25 118.06 1lj1 h VAL 209 Ca -0.02 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1lj1 h VAL 209 Cb 1.26 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1lj1 h VAL 209 CO 0.13 0.34 0.42 0.50 0.02 0.00 0.00 177.57 178.98 1lj1 h LYS 210 N 0.71 0.82 -0.33 1.57 3.11 -0.64 -0.45 116.57 121.36 1lj1 h LYS 210 Ca 0.14 -0.05 0.04 0.00 -2.81 0.00 0.00 60.65 57.97 1lj1 h LYS 210 Cb 0.42 -0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 31.42 1lj1 h LYS 210 CO 0.02 0.54 0.11 0.28 -2.81 0.00 0.00 179.45 177.59 1lj1 h VAL 211 N 0.85 0.90 -0.04 2.00 2.07 -0.96 -0.98 116.25 120.09 1lj1 h VAL 211 Ca 0.24 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.71 1lj1 h VAL 211 Cb -0.07 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1lj1 h VAL 211 CO -0.07 0.05 -0.29 0.25 0.02 0.00 0.00 177.57 177.53 1lj1 h LEU 212 N 0.25 -0.88 -0.17 2.57 5.85 -0.56 -0.86 115.31 121.51 1lj1 h LEU 212 Ca 0.15 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1lj1 h LEU 212 Cb 0.13 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1lj1 h LEU 212 CO -0.16 -0.35 -0.19 0.77 -0.34 0.00 0.00 178.44 178.17 1lj1 h SER 213 N -0.42 0.46 0.41 1.25 4.64 -1.07 -2.84 113.55 115.98 1lj1 h SER 213 Ca 0.07 -0.50 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 1lj1 h SER 213 Cb 0.52 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1lj1 h SER 213 CO -0.28 0.86 -0.45 0.77 -0.87 0.00 0.00 176.83 176.86 1lj1 h SER 214 N 0.07 0.06 0.35 4.97 4.64 -1.13 -2.79 113.55 119.72 1lj1 h SER 214 Ca 0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lj1 h SER 214 Cb 0.74 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1lj1 h SER 214 CO 0.05 0.51 -0.29 1.41 -0.87 0.00 0.00 176.83 177.64 1lj1 n HIS 215 N -3.99 0.00 -0.15 4.77 8.25 -0.33 -4.59 115.22 119.17 1lj1 n HIS 215 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 1lj1 n HIS 215 Cb 0.49 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.45 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 0.74 0.38 -0.35 0.41 4.64 -1.23 -1.43 113.55 116.71 1lj1 h SER 216 Ca 0.00 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1lj1 h SER 216 Cb 0.48 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1lj1 h SER 216 CO 0.00 0.27 0.21 0.50 -0.87 0.00 0.00 176.83 176.94 1lj1 h LYS 217 N 0.50 0.47 -0.55 4.77 3.64 -1.80 -2.28 116.57 121.33 1lj1 h LYS 217 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1lj1 h LYS 217 Cb 0.07 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1lj1 h LYS 217 CO -0.12 0.36 0.29 -0.44 -2.27 0.00 0.00 179.45 177.27 1lj1 h ASP 218 N 0.45 0.68 -0.46 4.20 3.32 -1.79 -1.37 116.42 121.46 1lj1 h ASP 218 Ca 0.12 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1lj1 h ASP 218 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1lj1 h ASP 218 CO -0.02 0.56 0.10 0.28 -1.72 0.00 0.00 179.24 178.43 1lj1 h SER 219 N 0.77 0.71 -0.77 6.45 0.02 -0.95 -0.84 113.55 118.94 1lj1 h SER 219 Ca 0.19 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1lj1 h SER 219 Cb 0.04 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1lj1 h SER 219 CO -0.03 0.77 0.45 0.58 -1.14 0.00 0.00 176.83 177.46 1lj1 h VAL 220 N 0.61 1.22 -0.79 2.27 2.07 -1.06 -1.93 116.25 118.64 1lj1 h VAL 220 Ca 0.14 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1lj1 h VAL 220 Cb 0.35 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1lj1 h VAL 220 CO 0.00 0.23 0.38 0.44 0.02 0.00 0.00 177.57 178.65 1lj1 h ASP 221 N 1.05 1.02 -0.25 0.57 3.32 -1.11 0.01 116.42 121.04 1lj1 h ASP 221 Ca 0.27 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1lj1 h ASP 221 Cb -0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1lj1 h ASP 221 CO -0.05 0.86 0.11 -0.25 -1.72 0.00 0.00 179.24 178.18 1lj1 h TRP 222 N 1.12 0.37 -0.56 4.55 7.01 -0.93 0.20 115.95 127.70 1lj1 h TRP 222 Ca 0.27 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.16 1lj1 h TRP 222 Cb 0.10 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1lj1 h TRP 222 CO 0.01 0.37 0.00 0.52 -2.79 0.00 0.00 178.44 176.56 1lj1 h MET 223 N 0.25 0.99 -0.39 2.65 2.86 -1.10 -2.25 114.93 117.94 1lj1 h MET 223 Ca 0.08 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1lj1 h MET 223 Cb 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1lj1 h MET 223 CO -0.01 0.99 0.13 1.15 1.06 0.00 0.00 176.91 180.23 1lj1 h THR 224 N 0.87 1.21 -0.17 2.22 2.02 -0.93 0.13 112.91 118.27 1lj1 h THR 224 Ca 0.16 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1lj1 h THR 224 Cb 0.54 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1lj1 h THR 224 CO 0.03 0.24 0.13 0.00 0.37 0.00 0.00 175.52 176.29 1lj1 h ALA 225 N 0.97 2.13 -0.00 6.16 0.00 -0.41 -0.34 119.26 127.77 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 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lj1 h ALA 225 CO -0.01 -0.21 -0.09 -1.33 0.00 0.00 0.00 179.25 177.61 1lj1 n MET 226 N -4.43 0.78 0.00 0.00 2.81 -0.76 -4.90 117.12 110.62 1lj1 n MET 226 Ca 0.01 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1lj1 n MET 226 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 1.25 1.42 3.85 3.03 0.00 -0.14 -4.93 105.19 109.67 1lj1 n GLY 227 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 3.13 -0.42 4.61 0.00 0.40 -4.96 121.76 122.52 1lj1 s ALA 228 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 1lj1 s ALA 228 Cb 0.00 -3.02 0.09 0.00 0.00 0.00 0.00 23.12 20.18 1lj1 s ALA 228 CO 0.00 -0.17 0.24 0.34 0.00 0.00 0.00 175.76 176.17 1lj1 s ASP 229 N -3.06 5.54 -0.27 0.00 2.15 -1.26 -4.33 116.67 115.43 1lj1 s ASP 229 Ca 0.57 -1.61 0.10 0.00 0.43 0.00 0.00 52.55 52.04 1lj1 s ASP 229 Cb -0.10 -1.95 0.46 0.00 -0.30 0.00 0.00 42.92 41.04 1lj1 s ASP 229 CO 0.31 -0.54 1.18 0.18 -0.17 0.00 0.00 175.17 176.13 1lj1 n LEU 230 N 4.85 4.07 0.11 -1.34 4.77 -1.26 -2.67 117.00 125.52 1lj1 n LEU 230 Ca -0.09 -4.32 0.12 0.00 -0.03 0.00 0.00 56.01 51.69 1lj1 n LEU 230 Cb 0.42 -0.22 0.20 0.00 -2.33 0.00 0.00 43.42 41.50 1lj1 n LEU 230 CO 0.38 1.83 0.51 0.71 -1.33 0.00 0.00 177.39 179.48 1lj1 h THR 231 N 2.73 0.00 -3.37 -5.08 1.35 -1.85 -3.37 112.91 103.32 1lj1 h THR 231 Ca 0.24 -0.67 -0.58 0.00 -0.55 0.00 0.00 66.41 64.85 1lj1 h THR 231 Cb 1.45 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 69.21 1lj1 h THR 231 CO 0.57 0.00 0.15 -0.62 -0.25 0.00 0.00 175.52 175.38 1lj1 s ASP 232 N -4.85 6.86 -0.19 5.36 2.15 -0.07 -4.91 116.67 121.02 1lj1 s ASP 232 Ca 0.06 1.05 0.01 0.00 0.43 0.00 0.00 52.55 54.10 1lj1 s ASP 232 Cb 0.11 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.37 1lj1 s ASP 232 CO 0.69 -0.23 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.65 1lj1 s VAL 233 N 1.46 1.76 0.45 1.11 1.01 -1.26 -1.00 120.40 123.93 1lj1 s VAL 233 Ca 0.34 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1lj1 s VAL 233 Cb -0.17 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1lj1 s VAL 233 CO 0.14 0.27 0.01 -0.83 0.00 0.00 0.00 175.10 174.69 1lj1 s GLY 234 N 1.37 2.70 0.13 4.51 0.00 0.18 -4.82 107.32 111.38 1lj1 s GLY 234 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 42.98 1lj1 s GLY 234 CO -0.09 -2.13 0.52 -0.29 0.00 0.00 0.00 173.10 171.11 1lj1 s MET 235 N -3.77 3.95 0.30 2.90 -2.45 -1.26 -1.77 119.30 117.21 1lj1 s MET 235 Ca 0.24 0.45 0.03 0.00 -1.25 0.00 0.00 55.69 55.17 1lj1 s MET 235 Cb 0.07 -2.97 -0.06 0.00 1.25 0.00 0.00 34.83 33.12 1lj1 s MET 235 CO 0.13 0.51 0.07 -1.64 1.05 0.00 0.00 175.02 175.14 1lj1 s MET 236 N -1.88 1.58 0.41 4.11 -1.94 -1.26 -4.32 119.30 116.00 1lj1 s MET 236 Ca 0.36 -1.87 -0.26 0.00 -1.71 0.00 0.00 55.69 52.21 1lj1 s MET 236 Cb -0.15 -0.66 -0.09 0.00 2.01 0.00 0.00 34.83 35.95 1lj1 s MET 236 CO 0.19 -0.23 1.30 0.20 -0.01 0.00 0.00 175.02 176.46 1lj1 s GLY 237 N -3.43 2.92 -0.67 -0.03 0.00 -1.26 -3.36 107.32 101.48 1lj1 s GLY 237 Ca 0.37 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1lj1 s GLY 237 CO 0.15 1.80 0.00 0.61 0.00 0.00 0.00 173.10 175.66 1lj1 n GLY 238 N 0.66 0.86 3.60 0.20 0.00 -0.88 -4.37 105.19 105.26 1lj1 n GLY 238 Ca 0.04 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.17 3.03 -0.03 4.61 0.00 -1.21 -4.83 121.76 121.16 1lj1 s ALA 239 Ca 0.00 -1.07 0.15 0.00 0.00 0.00 0.00 51.96 51.04 1lj1 s ALA 239 Cb 0.00 -1.09 0.22 0.00 0.00 0.00 0.00 23.12 22.25 1lj1 s ALA 239 CO 0.00 0.63 1.51 0.77 0.00 0.00 0.00 175.76 178.67 1lj1 h SER 240 N 4.24 0.00 -5.43 0.00 0.02 -1.92 -3.47 113.55 107.00 1lj1 h SER 240 Ca -0.48 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.29 1lj1 h SER 240 Cb 1.17 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.61 1lj1 h SER 240 CO 0.54 0.52 -0.27 0.68 -1.14 0.00 0.00 176.83 177.17 1lj1 s VAL 241 N -3.12 0.00 0.05 2.27 -7.23 -1.26 -5.12 120.40 105.99 1lj1 s VAL 241 Ca 0.02 -1.62 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 1lj1 s VAL 241 Cb 0.09 -2.42 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 1lj1 s VAL 241 CO 0.74 0.00 1.51 0.20 -0.31 0.00 0.00 175.10 177.24 1lj1 s ASN 242 N -3.13 6.73 0.00 4.85 -0.87 -1.26 -4.82 114.94 116.44 1lj1 s ASN 242 Ca 0.29 2.31 0.00 0.00 -1.57 0.00 0.00 52.86 53.89 1lj1 s ASN 242 Cb 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1lj1 s ASN 242 CO 0.14 -0.79 0.37 -2.11 -2.57 0.00 0.00 177.10 172.14 1lj1 n ARG 243 N 5.25 0.00 -2.90 -0.60 1.85 -0.97 -4.82 116.66 114.46 1lj1 n ARG 243 Ca 0.14 -0.36 -0.43 0.00 -1.00 0.00 0.00 57.85 56.20 1lj1 n ARG 243 Cb 0.42 -0.33 -0.04 0.00 -1.05 0.00 0.00 32.46 31.46 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 3.18 0.27 2.89 0.00 -0.73 -2.65 121.76 124.73 1lj1 s ALA 244 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 1lj1 s ALA 244 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 1lj1 s ALA 244 CO 0.00 -2.51 0.81 -1.01 0.00 0.00 0.00 175.76 173.05 1lj1 s HIS 245 N 3.77 3.64 0.20 0.00 3.76 -0.26 -0.65 115.29 125.74 1lj1 s HIS 245 Ca 0.24 1.53 -0.22 0.00 -0.15 0.00 0.00 55.06 56.45 1lj1 s HIS 245 Cb -0.16 -2.73 0.07 0.00 1.11 0.00 0.00 32.58 30.87 1lj1 s HIS 245 CO 0.13 0.26 0.97 -0.98 -0.85 0.00 0.00 174.74 174.27 1lj1 s ARG 246 N -2.11 1.40 0.65 1.40 1.70 -0.17 -1.12 118.95 120.70 1lj1 s ARG 246 Ca 0.47 -0.85 -0.17 0.00 -0.47 0.00 0.00 55.73 54.71 1lj1 s ARG 246 Cb -0.17 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1lj1 s ARG 246 CO 0.21 -0.65 1.21 -2.14 -1.08 0.00 0.00 175.30 172.85 1lj1 s PRO 247 N -2.71 2.67 -0.19 3.89 0.02 -1.09 -0.89 135.00 136.69 1lj1 s PRO 247 Ca 0.17 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.67 1lj1 s PRO 247 Cb -0.02 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 1lj1 s PRO 247 CO 0.05 -1.44 0.94 2.41 -0.33 0.00 0.00 177.00 178.64 1lj1 n THR 248 N -2.03 0.00 -0.64 0.99 -1.04 -1.26 -1.62 114.28 108.68 1lj1 n THR 248 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1lj1 n THR 248 Cb 0.50 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 2.01 0.81 1.55 3.41 0.00 -1.26 -4.20 105.19 107.50 1lj1 n GLY 249 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.06 0.78 3.83 -0.02 0.00 -0.64 -1.40 105.19 105.68 1lj1 n GLY 250 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.54 2.01 0.18 4.61 0.00 -1.15 -2.44 121.76 122.42 1lj1 s ALA 251 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 1lj1 s ALA 251 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 1lj1 s ALA 251 CO 0.00 -2.24 1.43 0.20 0.00 0.00 0.00 175.76 175.15 1lj1 s GLY 252 N -4.32 2.06 0.23 0.00 0.00 -1.26 -4.17 107.32 99.86 1lj1 s GLY 252 Ca 0.65 1.23 0.06 0.00 0.00 0.00 0.00 44.72 46.66 1lj1 s GLY 252 CO 0.52 2.34 1.53 -0.24 0.00 0.00 0.00 173.10 177.25 1lj1 h VAL 253 N 3.92 1.44 0.57 1.40 3.04 -1.38 -3.39 116.25 121.85 1lj1 h VAL 253 Ca -0.44 -2.19 -0.03 0.00 -1.01 0.00 0.00 66.70 63.03 1lj1 h VAL 253 Cb 1.21 2.16 0.01 0.00 -2.01 0.00 0.00 31.29 32.66 1lj1 h VAL 253 CO 0.84 0.64 -0.27 1.23 -1.01 0.00 0.00 177.57 178.99 1lj1 h GLY 254 N 1.71 -0.80 0.88 3.17 0.00 -1.25 -1.21 103.07 105.58 1lj1 h GLY 254 Ca -0.01 0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.66 1lj1 h GLY 254 CO 0.10 -0.29 0.62 0.00 0.00 0.00 0.00 176.54 176.97 1lj1 h ALA 255 N -0.99 1.42 -0.22 3.60 0.00 -1.60 -1.47 119.26 120.01 1lj1 h ALA 255 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1lj1 h ALA 255 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lj1 h ALA 255 CO 0.13 0.46 0.09 1.25 0.00 0.00 0.00 179.25 181.18 1lj1 h HIS 256 N 1.15 0.33 -0.33 0.00 6.17 -1.74 -0.18 115.15 120.55 1lj1 h HIS 256 Ca 0.39 -0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.33 1lj1 h HIS 256 Cb 0.09 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 1lj1 h HIS 256 CO -0.00 0.35 -0.28 0.28 0.71 0.00 0.00 177.93 178.99 1lj1 h VAL 257 N 0.20 1.28 -0.31 5.26 2.07 -1.00 -1.80 116.25 121.95 1lj1 h VAL 257 Ca 0.07 -1.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 1lj1 h VAL 257 Cb 0.16 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1lj1 h VAL 257 CO -0.01 0.46 -0.34 0.58 0.02 0.00 0.00 177.57 178.28 1lj1 h VAL 258 N 0.59 1.28 -0.25 2.57 2.07 -1.15 -1.61 116.25 119.76 1lj1 h VAL 258 Ca 0.07 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1lj1 h VAL 258 Cb 0.78 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1lj1 h VAL 258 CO 0.06 0.48 0.13 -0.61 0.02 0.00 0.00 177.57 177.66 1lj1 h GLN 259 N 0.58 0.35 -0.36 1.57 5.75 -0.69 -1.04 115.11 121.27 1lj1 h GLN 259 Ca 0.06 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1lj1 h GLN 259 Cb 0.86 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 1lj1 h GLN 259 CO 0.07 0.32 0.14 0.28 -2.65 0.00 0.00 178.83 177.00 1lj1 h VAL 260 N 0.29 0.92 -0.24 2.39 2.07 -1.18 -1.67 116.25 118.83 1lj1 h VAL 260 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1lj1 h VAL 260 Cb 0.08 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1lj1 h VAL 260 CO -0.01 0.05 0.15 -0.07 0.02 0.00 0.00 177.57 177.72 1lj1 h LEU 261 N 0.30 0.28 -0.48 2.57 3.38 -1.15 -2.30 115.31 117.91 1lj1 h LEU 261 Ca 0.16 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1lj1 h LEU 261 Cb 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1lj1 h LEU 261 CO -0.15 0.21 0.27 0.22 0.09 0.00 0.00 178.44 179.08 1lj1 h TYR 262 N 0.32 0.50 -1.00 1.13 3.20 -0.92 -0.84 116.97 119.36 1lj1 h TYR 262 Ca 0.09 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1lj1 h TYR 262 Cb -0.02 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 1lj1 h TYR 262 CO -0.06 0.28 0.66 -0.44 -1.64 0.00 0.00 178.16 176.96 1lj1 h ASP 263 N 0.54 1.13 0.31 -2.11 3.45 -1.14 -0.60 116.42 118.01 1lj1 h ASP 263 Ca 0.20 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.52 1lj1 h ASP 263 Cb 0.05 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1lj1 h ASP 263 CO -0.11 0.81 -0.47 0.78 -1.57 0.00 0.00 179.24 178.68 1lj1 h ASN 264 N 1.33 0.21 -0.11 6.45 2.35 -0.99 -2.09 115.58 122.74 1lj1 h ASN 264 Ca 0.37 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1lj1 h ASN 264 Cb -0.12 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1lj1 h ASN 264 CO -0.09 0.65 -0.05 0.00 -1.65 0.00 0.00 177.43 176.29 1lj1 h ALA 265 N 1.36 0.15 -0.56 -0.83 0.00 -0.19 -2.90 119.26 116.28 1lj1 h ALA 265 Ca 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1lj1 h ALA 265 Cb 0.89 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1lj1 h ALA 265 CO 0.07 -0.08 0.32 0.28 0.00 0.00 0.00 179.25 179.84 1lj1 h VAL 266 N -0.13 1.03 0.00 0.00 2.07 -1.09 -1.68 116.25 116.44 1lj1 h VAL 266 Ca 0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1lj1 h VAL 266 Cb 0.50 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1lj1 h VAL 266 CO 0.02 0.12 -0.14 0.11 0.02 0.00 0.00 177.57 177.69 1lj1 h LYS 267 N 0.63 0.00 -0.32 1.57 1.57 -1.42 -0.04 116.57 118.57 1lj1 h LYS 267 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1lj1 h LYS 267 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1lj1 h LYS 267 CO -0.12 0.14 0.00 0.54 -0.57 0.00 0.00 179.45 179.44 1lj1 n ARG 268 N -4.36 1.89 -3.67 3.15 1.74 -0.84 -4.96 116.66 109.60 1lj1 n ARG 268 Ca -0.03 -1.36 -0.26 0.00 -0.77 0.00 0.00 57.85 55.43 1lj1 n ARG 268 Cb 0.21 -1.35 0.05 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.59 -5.75 -4.72 0.55 5.03 -0.03 -4.94 115.26 106.00 1lj1 n ASN 269 Ca 0.15 -0.61 -0.42 0.00 0.87 0.00 0.00 54.58 54.57 1lj1 n ASN 269 Cb 0.35 -4.56 -0.03 0.00 -1.02 0.00 0.00 39.78 34.52 1lj1 n ASN 269 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1lj1 s ILE 270 N -3.29 3.57 -0.54 2.41 1.01 -0.69 -4.94 121.20 118.73 1lj1 s ILE 270 Ca 0.60 1.13 -0.27 0.00 0.00 0.00 0.00 60.65 62.11 1lj1 s ILE 270 Cb -0.28 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1lj1 s ILE 270 CO 0.74 0.09 1.67 -0.62 0.00 0.00 0.00 174.94 176.82 1lj1 s ASP 271 N 1.05 5.73 -0.20 3.58 -1.08 -1.26 -4.85 116.67 119.65 1lj1 s ASP 271 Ca 0.62 0.49 -0.02 0.00 -0.52 0.00 0.00 52.55 53.12 1lj1 s ASP 271 Cb -0.34 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 38.58 1lj1 s ASP 271 CO 0.30 -1.99 -0.09 -0.22 0.52 0.00 0.00 175.17 173.70 1lj1 s LEU 272 N 7.45 2.72 -0.21 -1.34 2.96 -1.26 -1.34 118.68 127.66 1lj1 s LEU 272 Ca 0.63 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1lj1 s LEU 272 Cb -0.14 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1lj1 s LEU 272 CO 0.25 0.01 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.05 1lj1 s ARG 273 N 1.26 3.09 0.61 1.98 0.52 -0.47 -4.99 118.95 120.95 1lj1 s ARG 273 Ca 0.03 -0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 54.40 1lj1 s ARG 273 Cb -0.14 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.53 1lj1 s ARG 273 CO -0.04 -0.25 0.91 -1.64 0.02 0.00 0.00 175.30 174.30 1lj1 s MET 274 N 1.36 2.75 -1.57 3.54 -1.94 -1.26 -1.53 119.30 120.65 1lj1 s MET 274 Ca 0.04 -0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 53.77 1lj1 s MET 274 Cb -0.14 -2.27 0.10 0.00 2.01 0.00 0.00 34.83 34.52 1lj1 s MET 274 CO -0.08 -0.80 0.82 0.09 -0.01 0.00 0.00 175.02 175.05 1lj1 n ASN 275 N -2.62 -3.46 -3.66 3.03 3.02 -0.79 -3.96 115.26 106.81 1lj1 n ASN 275 Ca 0.05 -0.90 -0.29 0.00 -0.03 0.00 0.00 54.58 53.42 1lj1 n ASN 275 Cb 0.58 -3.36 -0.16 0.00 -0.61 0.00 0.00 39.78 36.23 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 -3.40 0.39 -0.11 3.41 2.01 -0.34 -1.48 115.64 116.12 1lj1 s THR 276 Ca 0.57 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.56 1lj1 s THR 276 Cb -0.30 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1lj1 s THR 276 CO 0.87 -0.52 0.42 -0.60 -0.69 0.00 0.00 174.62 174.10 1lj1 s ARG 277 N 1.88 4.26 0.09 4.92 3.52 -0.68 -2.88 118.95 130.07 1lj1 s ARG 277 Ca 0.06 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 1lj1 s ARG 277 Cb -0.17 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 1lj1 s ARG 277 CO -0.22 0.25 1.14 0.20 -0.81 0.00 0.00 175.30 175.86 1lj1 s GLY 278 N 0.36 2.61 -0.04 8.12 0.00 -1.26 -0.80 107.32 116.32 1lj1 s GLY 278 Ca 0.23 0.80 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 1lj1 s GLY 278 CO 0.09 1.88 -0.04 1.39 0.00 0.00 0.00 173.10 176.41 1lj1 n ILE 279 N 3.40 0.21 -3.67 0.90 2.08 -0.64 -4.95 119.36 116.69 1lj1 n ILE 279 Ca 0.07 -0.07 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 1lj1 n ILE 279 Cb 0.47 -1.10 -0.11 0.00 -0.75 0.00 0.00 39.64 38.14 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 -2.07 0.25 0.15 0.38 2.12 -1.13 -4.79 118.70 113.62 1lj1 s GLU 280 Ca -0.05 0.85 -0.30 0.00 0.36 0.00 0.00 54.97 55.83 1lj1 s GLU 280 Cb 0.02 0.11 -0.07 0.00 0.26 0.00 0.00 34.13 34.44 1lj1 s GLU 280 CO 0.08 -0.24 1.17 0.08 -0.54 0.00 0.00 175.26 175.80 1lj1 s VAL 281 N 2.26 3.76 -0.10 3.70 1.01 -1.26 -1.09 120.40 128.68 1lj1 s VAL 281 Ca -0.02 1.43 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 1lj1 s VAL 281 Cb -0.11 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1lj1 s VAL 281 CO -0.11 0.20 0.11 -0.76 0.00 0.00 0.00 175.10 174.55 1lj1 s LEU 282 N 0.05 4.22 0.07 3.92 1.43 0.26 -4.91 118.68 123.73 1lj1 s LEU 282 Ca 0.53 0.39 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 1lj1 s LEU 282 Cb -0.31 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1lj1 s LEU 282 CO 0.34 0.39 -0.16 -0.54 0.23 0.00 0.00 176.35 176.61 1lj1 s LYS 283 N -1.08 0.95 0.00 1.70 1.02 -1.26 -0.79 119.74 120.28 1lj1 s LYS 283 Ca 0.16 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1lj1 s LYS 283 Cb -0.12 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.15 1lj1 s LYS 283 CO 0.05 0.24 0.00 -0.40 -0.92 0.00 0.00 175.35 174.32 1lj1 n ASP 284 N 1.36 0.00 -0.01 2.83 5.68 0.40 -4.80 116.55 122.01 1lj1 n ASP 284 Ca -0.20 -0.63 0.15 0.00 -0.50 0.00 0.00 54.79 53.61 1lj1 n ASP 284 Cb 0.54 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.30 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 -1.88 0.02 -1.05 -1.12 5.75 -1.26 -1.87 116.55 115.14 1lj1 n ASP 285 Ca 0.00 -0.29 0.08 0.00 -0.01 0.00 0.00 54.79 54.58 1lj1 n ASP 285 Cb 0.00 -0.23 0.25 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.23 2.99 -1.00 0.11 5.02 -1.26 -4.98 118.16 117.81 1lj1 n LYS 286 Ca 0.16 -2.46 -0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1lj1 n LYS 286 Cb 0.22 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.89 0.45 3.78 0.72 0.00 -0.78 -5.05 105.19 105.21 1lj1 n GLY 287 Ca 0.19 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 4.42 0.28 2.61 -4.23 -1.26 -4.45 115.64 111.01 1lj1 s THR 288 Ca 0.00 -1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.11 1lj1 s THR 288 Cb 0.00 -3.25 -0.11 0.00 1.34 0.00 0.00 72.50 70.48 1lj1 s THR 288 CO 0.00 -0.10 1.59 -0.69 -0.54 0.00 0.00 174.62 174.88 1lj1 s VAL 289 N -1.73 2.14 0.00 2.29 1.01 -0.60 -0.45 120.40 123.05 1lj1 s VAL 289 Ca 0.31 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1lj1 s VAL 289 Cb -0.10 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1lj1 s VAL 289 CO 0.23 0.02 0.06 2.29 0.00 0.00 0.00 175.10 177.70 1lj1 n LYS 290 N 2.35 5.83 -3.86 2.72 2.85 0.03 -4.72 118.16 123.35 1lj1 n LYS 290 Ca 0.09 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1lj1 n LYS 290 Cb 0.38 -0.55 0.00 0.00 -0.65 0.00 0.00 35.03 34.20 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 0.85 -1.01 3.11 2.58 0.00 -1.17 -1.40 105.19 108.15 1lj1 n GLY 291 Ca 0.00 -1.12 -0.13 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 -0.00 -0.61 2.07 -0.60 -0.57 121.20 118.47 1lj1 s ILE 292 Ca 0.00 0.04 -0.23 0.00 -1.41 0.00 0.00 60.65 59.06 1lj1 s ILE 292 Cb 0.00 -0.35 -0.05 0.00 0.13 0.00 0.00 42.46 42.19 1lj1 s ILE 292 CO 0.00 0.02 0.67 -0.22 -1.91 0.00 0.00 174.94 173.50 1lj1 s LEU 293 N 0.45 4.41 0.31 8.50 2.96 -0.25 -1.64 118.68 133.42 1lj1 s LEU 293 Ca -0.03 1.26 0.06 0.00 -0.22 0.00 0.00 54.13 55.20 1lj1 s LEU 293 Cb -0.04 -3.06 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 1lj1 s LEU 293 CO -0.02 0.03 -0.02 0.68 -1.32 0.00 0.00 176.35 175.70 1lj1 s VAL 294 N 0.06 1.57 -0.28 1.68 -7.23 0.29 -1.62 120.40 114.88 1lj1 s VAL 294 Ca 0.35 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1lj1 s VAL 294 Cb -0.19 -2.63 0.09 0.00 0.56 0.00 0.00 36.38 34.21 1lj1 s VAL 294 CO 0.19 -0.17 0.05 -0.75 -0.31 0.00 0.00 175.10 174.11 1lj1 s LYS 295 N -3.77 1.02 0.04 4.82 2.20 0.02 -2.44 119.74 121.63 1lj1 s LYS 295 Ca 0.32 -1.08 -0.28 0.00 -0.36 0.00 0.00 55.97 54.57 1lj1 s LYS 295 Cb 0.06 -2.32 -0.05 0.00 -1.51 0.00 0.00 37.83 34.01 1lj1 s LYS 295 CO 0.14 -0.84 0.87 0.20 -0.36 0.00 0.00 175.35 175.36 1lj1 s GLY 296 N 1.49 2.86 0.29 5.54 0.00 0.25 -1.69 107.32 116.07 1lj1 s GLY 296 Ca 0.05 0.42 -0.02 0.00 0.00 0.00 0.00 44.72 45.17 1lj1 s GLY 296 CO -0.16 1.38 1.93 1.98 0.00 0.00 0.00 173.10 178.23 1lj1 h MET 297 N 6.12 1.04 0.00 2.90 4.05 -1.56 -1.04 114.93 126.45 1lj1 h MET 297 Ca -0.42 -0.10 -0.29 0.00 -0.28 0.00 0.00 59.70 58.61 1lj1 h MET 297 Cb 1.21 -0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 31.74 1lj1 h MET 297 CO 0.73 0.74 -2.16 0.66 0.23 0.00 0.00 176.91 177.10 1lj1 n TYR 298 N -4.38 0.00 0.18 1.39 4.02 -1.26 -4.69 117.16 112.42 1lj1 n TYR 298 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.08 1lj1 n TYR 298 Cb 0.07 -0.82 -0.14 0.00 -0.02 0.00 0.00 39.34 38.43 1lj1 n TYR 298 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1lj1 n LYS 299 N -2.60 0.54 0.00 -0.72 4.01 -1.23 -5.04 118.16 113.12 1lj1 n LYS 299 Ca -0.26 -0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.40 1lj1 n LYS 299 Cb 1.02 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 34.00 1lj1 n LYS 299 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1lj1 n GLY 300 N 1.30 -1.45 3.76 0.72 0.00 -0.39 -4.91 105.19 104.22 1lj1 n GLY 300 Ca -0.02 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 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 3.85 0.18 1.61 1.51 -1.26 -0.58 117.35 122.65 1lj1 s TYR 301 Ca 0.00 1.86 -0.19 0.00 -1.01 0.00 0.00 57.07 57.72 1lj1 s TYR 301 Cb 0.00 -2.96 0.04 0.00 -0.11 0.00 0.00 41.96 38.93 1lj1 s TYR 301 CO 0.00 0.32 0.54 1.52 -1.11 0.00 0.00 175.55 176.82 1lj1 s TYR 302 N -1.37 -0.27 0.15 2.71 -0.85 -1.02 -4.88 117.35 111.82 1lj1 s TYR 302 Ca 0.45 -0.03 0.08 0.00 -0.52 0.00 0.00 57.07 57.05 1lj1 s TYR 302 Cb -0.23 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1lj1 s TYR 302 CO 0.29 -0.88 -0.17 1.67 -1.52 0.00 0.00 175.55 174.94 1lj1 s TRP 303 N -3.82 1.69 -0.16 -3.49 1.48 -1.26 -0.55 118.94 112.83 1lj1 s TRP 303 Ca 0.06 -0.50 0.00 0.00 -1.06 0.00 0.00 56.10 54.60 1lj1 s TRP 303 Cb -0.01 -0.85 -0.00 0.00 -1.16 0.00 0.00 33.47 31.45 1lj1 s TRP 303 CO -0.07 0.27 -0.15 0.08 -4.06 0.00 0.00 176.95 173.03 1lj1 s VAL 304 N -2.10 2.70 -0.02 -0.66 1.01 -0.65 -0.81 120.40 119.87 1lj1 s VAL 304 Ca 0.14 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1lj1 s VAL 304 Cb -0.05 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1lj1 s VAL 304 CO 0.05 0.51 0.64 -0.75 0.00 0.00 0.00 175.10 175.56 1lj1 s LYS 305 N 0.85 4.38 0.07 2.72 2.20 -0.14 -1.56 119.74 128.27 1lj1 s LYS 305 Ca -0.04 0.81 -0.26 0.00 -0.36 0.00 0.00 55.97 56.12 1lj1 s LYS 305 Cb -0.15 -3.38 0.08 0.00 -1.51 0.00 0.00 37.83 32.87 1lj1 s LYS 305 CO -0.01 0.26 0.69 0.00 -0.36 0.00 0.00 175.35 175.93 1lj1 s ALA 306 N 0.16 -1.69 0.15 3.13 0.00 -0.49 -1.59 121.76 121.43 1lj1 s ALA 306 Ca 0.34 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1lj1 s ALA 306 Cb -0.18 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1lj1 s ALA 306 CO 0.18 -0.65 1.36 -0.44 0.00 0.00 0.00 175.76 176.21 1lj1 h ASP 307 N 2.24 0.42 -4.39 0.00 3.32 -1.57 -3.16 116.42 113.27 1lj1 h ASP 307 Ca -0.30 -0.32 -0.22 0.00 0.02 0.00 0.00 57.03 56.21 1lj1 h ASP 307 Cb 1.26 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 40.44 1lj1 h ASP 307 CO 0.37 1.11 -0.72 0.00 -1.72 0.00 0.00 179.24 178.27 1lj1 s ALA 308 N -3.32 0.17 -0.07 3.45 0.00 -1.09 -4.59 121.76 116.30 1lj1 s ALA 308 Ca -0.05 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1lj1 s ALA 308 Cb 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1lj1 s ALA 308 CO 0.85 -0.06 -0.22 0.08 0.00 0.00 0.00 175.76 176.41 1lj1 s VAL 309 N -0.78 1.87 -0.28 0.00 1.01 -0.18 -1.32 120.40 120.71 1lj1 s VAL 309 Ca -0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1lj1 s VAL 309 Cb -0.06 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1lj1 s VAL 309 CO -0.00 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 174.95 1lj1 s ILE 310 N 0.14 2.83 -0.36 2.22 1.01 -0.75 -1.15 121.20 125.13 1lj1 s ILE 310 Ca -0.10 -1.34 -0.24 0.00 0.00 0.00 0.00 60.65 58.97 1lj1 s ILE 310 Cb -0.15 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1lj1 s ILE 310 CO 0.05 -0.02 0.83 -0.76 0.00 0.00 0.00 174.94 175.05 1lj1 s LEU 311 N 1.25 4.08 -0.35 2.97 1.43 -0.71 -0.59 118.68 126.75 1lj1 s LEU 311 Ca -0.05 0.46 0.15 0.00 -1.03 0.00 0.00 54.13 53.66 1lj1 s LEU 311 Cb -0.19 -3.11 0.44 0.00 0.03 0.00 0.00 46.19 43.36 1lj1 s LEU 311 CO -0.03 -0.76 0.96 0.00 0.23 0.00 0.00 176.35 176.76 1lj1 n ALA 312 N 6.51 3.65 0.55 4.21 0.00 -0.64 -1.35 120.51 133.43 1lj1 n ALA 312 Ca 0.04 -3.43 0.09 0.00 0.00 0.00 0.00 53.44 50.15 1lj1 n ALA 312 Cb 0.48 -0.86 0.25 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.12 0.55 -4.37 0.00 -2.24 -1.22 -4.37 114.28 102.52 1lj1 n THR 313 Ca 0.17 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1lj1 n THR 313 Cb 0.76 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.30 -1.46 0.00 3.38 0.00 -1.26 -4.84 105.19 102.31 1lj1 n GLY 314 Ca 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 1.62 0.43 -0.02 0.00 -1.26 -2.98 105.19 102.98 1lj1 n GLY 315 Ca 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.73 0.00 0.43 1.61 1.16 -1.26 -3.37 117.46 115.31 1lj1 n PHE 316 Ca 0.00 -1.17 0.10 0.00 -1.87 0.00 0.00 57.45 54.50 1lj1 n PHE 316 Cb 0.00 -0.19 0.42 0.00 -1.61 0.00 0.00 39.48 38.09 1lj1 n PHE 316 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lj1 n ALA 317 N -1.11 1.65 0.31 1.98 0.00 -1.18 -1.80 120.51 120.36 1lj1 n ALA 317 Ca 0.16 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.76 1lj1 n ALA 317 Cb 0.69 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 19.06 1lj1 n ALA 317 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1lj1 h LYS 318 N 0.00 0.00 -5.46 0.00 1.63 -1.48 -3.42 116.57 107.84 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 0.31 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.80 1lj1 h LYS 318 CO 0.00 0.00 1.22 1.21 -3.45 0.00 0.00 179.45 178.43 1lj1 s ASN 319 N -5.82 6.63 0.41 4.20 3.84 -0.75 -4.87 114.94 118.59 1lj1 s ASN 319 Ca 0.08 -1.93 0.20 0.00 0.21 0.00 0.00 52.86 51.41 1lj1 s ASN 319 Cb 0.07 -2.47 0.88 0.00 -0.55 0.00 0.00 41.25 39.18 1lj1 s ASN 319 CO 0.65 -1.21 1.84 -1.13 -2.79 0.00 0.00 177.10 174.46 1lj1 h ASN 320 N 8.97 0.00 -0.41 -4.21 -0.73 -1.84 -1.66 115.58 115.71 1lj1 h ASN 320 Ca 0.21 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.29 1lj1 h ASN 320 Cb 1.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.57 1lj1 h ASN 320 CO 1.26 0.31 -0.07 -0.08 -0.37 0.00 0.00 177.43 178.48 1lj1 h GLU 321 N 0.00 0.76 -0.21 6.67 4.81 -1.96 0.16 114.58 124.81 1lj1 h GLU 321 Ca -0.00 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.86 1lj1 h GLU 321 Cb 0.70 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1lj1 h GLU 321 CO 0.04 0.88 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.89 1lj1 h ARG 322 N 0.58 0.52 -0.31 1.92 2.43 -1.90 -3.06 114.38 114.56 1lj1 h ARG 322 Ca 0.11 -0.28 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1lj1 h ARG 322 Cb 0.58 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1lj1 h ARG 322 CO 0.03 0.87 0.09 0.28 -1.51 0.00 0.00 179.97 179.73 1lj1 h VAL 323 N 0.19 0.89 0.00 0.20 2.07 -1.21 -2.83 116.25 115.56 1lj1 h VAL 323 Ca 0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1lj1 h VAL 323 Cb 0.78 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1lj1 h VAL 323 CO 0.06 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 177.63 1lj1 h ALA 324 N 1.21 1.67 -0.15 1.67 0.00 -0.66 0.66 119.26 123.66 1lj1 h ALA 324 Ca 0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1lj1 h ALA 324 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1lj1 h ALA 324 CO -0.17 0.07 -0.53 0.87 0.00 0.00 0.00 179.25 179.49 1lj1 h LYS 325 N 0.00 0.44 0.07 0.00 1.57 -1.40 -2.69 116.57 114.55 1lj1 h LYS 325 Ca -0.00 -0.27 -0.29 0.00 -1.87 0.00 0.00 60.65 58.23 1lj1 h LYS 325 Cb 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1lj1 h LYS 325 CO 0.01 0.86 -1.50 -0.07 -0.57 0.00 0.00 179.45 178.18 1lj1 h LEU 326 N 0.34 0.22 -6.51 2.94 3.38 -1.19 -3.43 115.31 111.07 1lj1 h LEU 326 Ca 0.01 -0.33 -0.52 0.00 0.09 0.00 0.00 57.88 57.13 1lj1 h LEU 326 Cb 1.04 -0.07 -0.37 0.00 0.09 0.00 0.00 40.66 41.35 1lj1 h LEU 326 CO 0.09 1.28 -0.81 -0.62 0.09 0.00 0.00 178.44 178.47 1lj1 s ASP 327 N -6.71 2.41 0.59 -0.43 3.68 0.13 -4.86 116.67 111.48 1lj1 s ASP 327 Ca -0.07 -2.06 0.29 0.00 2.13 0.00 0.00 52.55 52.85 1lj1 s ASP 327 Cb 0.08 -0.13 1.70 0.00 -1.45 0.00 0.00 42.92 43.12 1lj1 s ASP 327 CO 0.84 -0.29 2.13 -0.65 0.13 0.00 0.00 175.17 177.33 1lj1 h PRO 328 N 6.97 0.00 0.00 4.34 0.11 -1.71 -1.71 132.00 140.00 1lj1 h PRO 328 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 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 -1.13 -0.21 0.00 0.00 178.00 176.91 1lj1 n SER 329 N -3.78 0.00 -1.14 -2.05 3.41 -1.26 -2.40 113.62 106.40 1lj1 n SER 329 Ca 0.01 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1lj1 n SER 329 Cb 0.28 -0.46 0.26 0.00 -0.26 0.00 0.00 64.21 64.02 1lj1 n SER 329 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1lj1 n LEU 330 N -1.46 3.38 -4.73 1.04 4.77 -0.64 -4.94 117.00 114.42 1lj1 n LEU 330 Ca 0.06 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.09 1lj1 n LEU 330 Cb 0.24 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1lj1 n LEU 330 CO 0.19 0.76 1.25 -0.75 -1.33 0.00 0.00 177.39 177.51 1lj1 s LYS 331 N -1.40 4.17 0.00 3.23 2.20 -1.01 -1.80 119.74 125.13 1lj1 s LYS 331 Ca 0.40 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1lj1 s LYS 331 Cb 0.23 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1lj1 s LYS 331 CO 0.31 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1lj1 n GLY 332 N 3.00 2.01 3.76 5.54 0.00 -1.26 -5.04 105.19 113.19 1lj1 n GLY 332 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.54 2.45 0.45 1.61 0.40 -0.75 -5.03 117.98 114.57 1lj1 s PHE 333 Ca 0.00 1.56 -0.20 0.00 -0.60 0.00 0.00 56.93 57.69 1lj1 s PHE 333 Cb 0.00 -3.31 -0.10 0.00 0.51 0.00 0.00 43.02 40.11 1lj1 s PHE 333 CO 0.00 -1.98 0.96 0.42 0.70 0.00 0.00 175.22 175.32 1lj1 s ILE 334 N -2.04 4.42 0.14 0.64 1.01 -1.26 -4.83 121.20 119.28 1lj1 s ILE 334 Ca 0.71 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.84 1lj1 s ILE 334 Cb -0.25 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1lj1 s ILE 334 CO 0.39 -0.40 0.09 -0.55 0.00 0.00 0.00 174.94 174.47 1lj1 s SER 335 N -2.38 5.38 0.00 3.58 0.15 -1.26 -0.94 113.70 118.23 1lj1 s SER 335 Ca 0.61 -0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.41 1lj1 s SER 335 Cb -0.09 -1.38 1.20 0.00 -1.71 0.00 0.00 66.02 64.04 1lj1 s SER 335 CO 0.17 0.11 1.86 0.35 1.20 0.00 0.00 173.24 176.92 1lj1 n THR 336 N -0.04 0.00 -2.45 6.45 -2.24 -0.97 -4.89 114.28 110.14 1lj1 n THR 336 Ca -0.09 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 1lj1 n THR 336 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.65 6.25 0.69 3.42 0.02 -1.26 -4.81 114.94 116.59 1lj1 s ASN 337 Ca 0.24 1.05 -0.16 0.00 -1.02 0.00 0.00 52.86 52.97 1lj1 s ASN 337 Cb 0.20 -2.30 0.01 0.00 0.02 0.00 0.00 41.25 39.18 1lj1 s ASN 337 CO 0.51 -0.65 1.19 0.00 0.02 0.00 0.00 177.10 178.17 1lj1 s GLN 338 N -4.85 2.45 0.60 -0.60 1.03 -1.26 -4.92 119.66 112.10 1lj1 s GLN 338 Ca 0.49 1.72 0.36 0.00 0.04 0.00 0.00 55.36 57.97 1lj1 s GLN 338 Cb -0.10 -1.87 1.90 0.00 0.03 0.00 0.00 33.01 32.97 1lj1 s GLN 338 CO 0.47 -1.59 2.22 -1.00 -2.54 0.00 0.00 175.29 172.85 1lj1 h PRO 339 N 0.05 0.00 -0.54 9.60 0.13 -1.98 -2.79 132.00 136.47 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1lj1 h PRO 339 CO 0.52 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1lj1 n GLY 340 N -0.87 1.53 2.80 1.56 0.00 -1.26 -4.69 105.19 104.26 1lj1 n GLY 340 Ca -0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 0.96 5.57 0.27 4.61 0.00 -1.06 -4.59 120.51 126.28 1lj1 n ALA 341 Ca 0.18 -4.25 0.04 0.00 0.00 0.00 0.00 53.44 49.41 1lj1 n ALA 341 Cb 0.48 -3.01 0.04 0.00 0.00 0.00 0.00 19.45 16.96 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 3.31 0.13 -0.49 0.00 0.24 -1.24 -1.22 118.33 119.06 1lj1 n VAL 342 Ca 0.44 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1lj1 n VAL 342 Cb 0.35 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.41 0.73 0.21 7.63 0.00 -1.22 -4.76 105.19 108.21 1lj1 n GLY 343 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.32 1.61 -0.00 -1.89 -2.17 116.42 113.65 1lj1 h ASP 344 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.95 1lj1 h ASP 344 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 1lj1 h ASP 344 CO 0.00 0.25 -0.08 1.23 -0.00 0.00 0.00 179.24 180.63 1lj1 h GLY 345 N 0.83 0.79 1.23 7.15 0.00 -1.92 -1.86 103.07 109.29 1lj1 h GLY 345 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1lj1 h GLY 345 CO 0.03 0.52 0.41 1.41 0.00 0.00 0.00 176.54 178.92 1lj1 h LEU 346 N 0.67 0.91 -0.78 3.11 3.38 -1.72 -1.82 115.31 119.06 1lj1 h LEU 346 Ca 0.12 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1lj1 h LEU 346 Cb 0.54 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1lj1 h LEU 346 CO 0.03 0.72 0.24 0.44 0.09 0.00 0.00 178.44 179.97 1lj1 h ASP 347 N 1.03 1.08 -0.13 -0.43 3.32 -1.17 -0.80 116.42 119.32 1lj1 h ASP 347 Ca 0.26 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1lj1 h ASP 347 Cb 0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1lj1 h ASP 347 CO -0.04 1.00 0.08 0.58 -1.72 0.00 0.00 179.24 179.13 1lj1 h VAL 348 N 1.11 1.06 0.08 -1.35 2.07 -1.05 -1.00 116.25 117.18 1lj1 h VAL 348 Ca 0.24 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1lj1 h VAL 348 Cb 0.30 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1lj1 h VAL 348 CO -0.01 0.06 -0.18 0.00 0.02 0.00 0.00 177.57 177.46 1lj1 h ALA 349 N 1.01 -0.28 -0.79 1.67 0.00 -1.08 -2.43 119.26 117.36 1lj1 h ALA 349 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1lj1 h ALA 349 Cb 0.03 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1lj1 h ALA 349 CO -0.01 -0.69 0.51 0.93 0.00 0.00 0.00 179.25 179.99 1lj1 h GLU 350 N -0.33 0.96 0.00 0.00 5.08 -0.98 -1.45 114.58 117.87 1lj1 h GLU 350 Ca 0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1lj1 h GLU 350 Cb 0.36 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1lj1 h GLU 350 CO -0.11 0.64 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.50 1lj1 h ASN 351 N 0.99 0.00 1.00 1.42 2.35 -1.06 -0.07 115.58 120.21 1lj1 h ASN 351 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1lj1 h ASN 351 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1lj1 h ASN 351 CO -0.11 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1lj1 n ALA 352 N -2.33 2.26 0.00 -0.83 0.00 -0.85 -4.93 120.51 113.83 1lj1 n ALA 352 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1lj1 n ALA 352 Cb 0.23 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.34 0.86 3.78 0.00 0.00 -0.04 -5.09 105.19 106.04 1lj1 n GLY 353 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 2.63 0.09 -0.02 0.00 -0.60 -4.13 107.32 104.33 1lj1 s GLY 354 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.55 1lj1 s GLY 354 CO 0.00 1.16 0.12 0.00 0.00 0.00 0.00 173.10 174.38 1lj1 s ALA 355 N -1.78 3.67 0.26 3.20 0.00 -0.54 -4.27 121.76 122.29 1lj1 s ALA 355 Ca 0.72 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1lj1 s ALA 355 Cb -0.23 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1lj1 s ALA 355 CO 0.26 0.72 0.19 -0.51 0.00 0.00 0.00 175.76 176.42 1lj1 s LEU 356 N -2.56 3.74 0.04 0.00 1.43 -1.26 -0.76 118.68 119.31 1lj1 s LEU 356 Ca 0.31 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 1lj1 s LEU 356 Cb -0.12 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.86 1lj1 s LEU 356 CO 0.24 -0.06 0.46 -1.59 0.23 0.00 0.00 176.35 175.62 1lj1 s LYS 357 N -3.84 0.95 -1.50 1.70 -2.85 -0.48 -4.86 119.74 108.86 1lj1 s LYS 357 Ca 0.33 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1lj1 s LYS 357 Cb -0.08 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1lj1 s LYS 357 CO 0.25 -0.33 0.00 -0.25 0.10 0.00 0.00 175.35 175.12 1lj1 n ASP 358 N 0.53 -4.76 0.24 0.03 9.92 -1.26 -1.81 116.55 119.44 1lj1 n ASP 358 Ca -0.19 0.35 0.07 0.00 -0.53 0.00 0.00 54.79 54.50 1lj1 n ASP 358 Cb 0.60 -3.50 0.60 0.00 -0.64 0.00 0.00 41.12 38.18 1lj1 n ASP 358 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1lj1 h MET 359 N 0.01 0.04 0.00 -1.24 2.86 -1.91 -2.43 114.93 112.25 1lj1 h MET 359 Ca -0.29 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1lj1 h MET 359 Cb 0.94 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1lj1 h MET 359 CO 0.42 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.45 1lj1 n GLN 360 N -4.50 0.12 -2.92 1.72 0.00 -1.26 -4.59 117.38 105.95 1lj1 n GLN 360 Ca -0.03 0.38 -0.43 0.00 0.00 0.00 0.00 57.00 56.92 1lj1 n GLN 360 Cb 0.11 -1.74 -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 -3.21 2.77 -0.12 2.61 2.02 -0.92 -4.75 117.35 115.73 1lj1 s TYR 361 Ca 0.05 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1lj1 s TYR 361 Cb 0.09 -4.16 -0.02 0.00 -0.40 0.00 0.00 41.96 37.46 1lj1 s TYR 361 CO 0.33 -1.51 -0.08 0.42 -1.57 0.00 0.00 175.55 173.13 1lj1 s ILE 362 N 3.73 3.51 -0.34 2.71 1.01 -1.26 -2.42 121.20 128.15 1lj1 s ILE 362 Ca 0.21 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 1lj1 s ILE 362 Cb -0.18 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1lj1 s ILE 362 CO 0.11 0.53 0.94 0.12 0.00 0.00 0.00 174.94 176.64 1lj1 s PHE 363 N 0.08 3.13 -0.32 3.97 5.99 -0.49 -5.00 117.98 125.34 1lj1 s PHE 363 Ca -0.03 0.91 -0.12 0.00 0.00 0.00 0.00 56.93 57.69 1lj1 s PHE 363 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 43.02 39.29 1lj1 s PHE 363 CO 0.04 -0.75 0.23 0.00 -0.00 0.00 0.00 175.22 174.73 1lj1 s ALA 364 N 3.41 3.52 0.09 11.12 0.00 -1.26 -1.42 121.76 137.22 1lj1 s ALA 364 Ca 0.39 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 1lj1 s ALA 364 Cb -0.12 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 1lj1 s ALA 364 CO 0.16 -0.82 0.85 -1.58 0.00 0.00 0.00 175.76 174.37 1lj1 s HIS 365 N 1.75 3.79 0.29 0.00 2.46 0.90 -4.57 115.29 119.91 1lj1 s HIS 365 Ca 0.07 1.64 0.17 0.00 0.47 0.00 0.00 55.06 57.41 1lj1 s HIS 365 Cb -0.17 -2.92 0.78 0.00 -0.13 0.00 0.00 32.58 30.14 1lj1 s HIS 365 CO 0.11 0.27 1.81 -1.00 -2.47 0.00 0.00 174.74 173.46 1lj1 h PRO 366 N 5.46 0.00 -2.17 2.88 0.13 -1.86 -0.92 132.00 135.53 1lj1 h PRO 366 Ca -0.44 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 1lj1 h PRO 366 Cb 1.21 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.92 1lj1 h PRO 366 CO 0.71 0.36 -0.66 0.25 -0.23 0.00 0.00 178.00 178.43 1lj1 n THR 367 N -3.78 1.97 -2.77 1.56 -2.24 -1.26 -2.56 114.28 105.20 1lj1 n THR 367 Ca -0.01 -5.07 -0.41 0.00 -2.27 0.00 0.00 64.05 56.29 1lj1 n THR 367 Cb 0.44 -2.07 -0.05 0.00 -2.10 0.00 0.00 70.33 66.56 1lj1 n THR 367 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1lj1 s LEU 368 N -2.33 4.52 0.10 3.22 2.96 -0.23 -1.10 118.68 125.82 1lj1 s LEU 368 Ca 0.39 1.77 -0.31 0.00 -0.22 0.00 0.00 54.13 55.76 1lj1 s LEU 368 Cb 0.16 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 1lj1 s LEU 368 CO -0.03 -0.02 1.68 -0.55 -1.32 0.00 0.00 176.35 176.12 1lj1 s SER 369 N -0.20 6.55 0.15 3.68 0.15 -0.41 -1.31 113.70 122.31 1lj1 s SER 369 Ca 0.45 2.58 -0.14 0.00 0.70 0.00 0.00 55.95 59.54 1lj1 s SER 369 Cb -0.23 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1lj1 s SER 369 CO 0.29 -0.91 1.72 0.58 1.20 0.00 0.00 173.24 176.12 1lj1 h VAL 370 N 4.65 1.21 -0.42 4.45 2.07 -1.67 -1.02 116.25 125.52 1lj1 h VAL 370 Ca -0.43 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1lj1 h VAL 370 Cb 1.21 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1lj1 h VAL 370 CO 0.93 0.24 -0.10 0.50 0.02 0.00 0.00 177.57 179.17 1lj1 h LYS 371 N 0.67 0.80 0.00 1.57 3.64 -1.91 -3.34 116.57 118.00 1lj1 h LYS 371 Ca 0.17 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1lj1 h LYS 371 Cb 0.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1lj1 h LYS 371 CO -0.02 0.92 -1.01 0.41 -2.27 0.00 0.00 179.45 177.48 1lj1 n GLY 372 N -0.20 -1.05 2.52 5.01 0.00 -1.21 -4.99 105.19 105.27 1lj1 n GLY 372 Ca -0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 1.47 1.61 3.42 -0.02 0.00 -0.39 -4.84 105.19 106.45 1lj1 n GLY 373 Ca 0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.71 2.22 0.44 1.61 -7.23 -1.26 -4.88 120.40 108.58 1lj1 s VAL 374 Ca 0.00 -2.32 -0.25 0.00 -1.81 0.00 0.00 61.98 57.60 1lj1 s VAL 374 Cb 0.00 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.66 1lj1 s VAL 374 CO 0.00 -0.45 1.27 -0.32 -0.31 0.00 0.00 175.10 175.29 1lj1 s MET 375 N -3.50 3.82 -0.20 4.82 -2.45 -1.26 -1.29 119.30 119.23 1lj1 s MET 375 Ca 0.27 2.07 -0.03 0.00 -1.25 0.00 0.00 55.69 56.75 1lj1 s MET 375 Cb -0.04 -2.61 -0.01 0.00 1.25 0.00 0.00 34.83 33.42 1lj1 s MET 375 CO 0.12 -0.59 -0.07 0.08 1.05 0.00 0.00 175.02 175.62 1lj1 s VAL 376 N -1.33 3.25 0.48 10.11 1.01 -0.26 -4.83 120.40 128.84 1lj1 s VAL 376 Ca 0.60 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1lj1 s VAL 376 Cb -0.36 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 1lj1 s VAL 376 CO 0.45 0.45 1.38 0.28 0.00 0.00 0.00 175.10 177.66 1lj1 s THR 377 N 1.27 2.16 0.58 3.92 -1.32 -1.26 -4.74 115.64 116.24 1lj1 s THR 377 Ca 0.03 0.13 0.28 0.00 -1.21 0.00 0.00 61.69 60.92 1lj1 s THR 377 Cb -0.14 -3.07 0.37 0.00 -1.51 0.00 0.00 72.50 68.14 1lj1 s THR 377 CO -0.03 0.01 2.03 -0.08 -2.21 0.00 0.00 174.62 174.34 1lj1 h GLU 378 N 2.01 0.00 0.00 7.08 4.81 -1.98 -1.93 114.58 124.57 1lj1 h GLU 378 Ca -0.51 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1lj1 h GLU 378 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1lj1 h GLU 378 CO 0.60 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.82 1lj1 h ALA 379 N 1.68 1.20 -0.73 2.92 0.00 -1.90 -0.78 119.26 121.65 1lj1 h ALA 379 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1lj1 h ALA 379 Cb 0.75 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1lj1 h ALA 379 CO -0.00 0.07 0.34 0.28 0.00 0.00 0.00 179.25 179.94 1lj1 h VAL 380 N 0.00 1.24 -0.06 0.00 2.07 -1.71 0.62 116.25 118.40 1lj1 h VAL 380 Ca -0.00 -0.69 -0.18 0.00 0.82 0.00 0.00 66.70 66.65 1lj1 h VAL 380 Cb 0.24 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1lj1 h VAL 380 CO 0.01 0.29 -0.67 0.03 0.02 0.00 0.00 177.57 177.25 1lj1 h ARG 381 N 1.02 0.56 -0.98 1.57 3.08 -1.43 -2.01 114.38 116.19 1lj1 h ARG 381 Ca 0.25 -0.52 0.16 0.00 0.07 0.00 0.00 59.98 59.93 1lj1 h ARG 381 Cb 0.14 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 1lj1 h ARG 381 CO -0.03 1.15 0.61 0.78 -1.07 0.00 0.00 179.97 181.41 1lj1 h GLY 382 N 0.16 1.58 0.82 0.04 0.00 -1.09 0.86 103.07 105.42 1lj1 h GLY 382 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1lj1 h GLY 382 CO 0.13 0.06 -0.04 0.70 0.00 0.00 0.00 176.54 177.39 1lj1 n ASN 383 N -4.65 0.41 0.00 0.19 4.13 0.20 -4.51 115.26 111.03 1lj1 n ASN 383 Ca 0.20 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1lj1 n ASN 383 Cb 0.48 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 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 1.17 0.11 3.76 7.41 0.00 0.29 -4.66 105.19 113.29 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 -0.79 2.27 0.41 4.61 0.00 -0.77 -4.83 121.76 122.66 1lj1 s ALA 385 Ca 0.00 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1lj1 s ALA 385 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1lj1 s ALA 385 CO 0.00 -1.68 0.24 0.96 0.00 0.00 0.00 175.76 175.28 1lj1 s ILE 386 N -2.70 2.49 -0.13 0.00 -4.36 -0.81 -4.61 121.20 111.08 1lj1 s ILE 386 Ca 0.63 -1.57 -0.01 0.00 -0.26 0.00 0.00 60.65 59.44 1lj1 s ILE 386 Cb -0.19 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.50 1lj1 s ILE 386 CO 0.52 -0.02 -0.09 -0.76 0.24 0.00 0.00 174.94 174.83 1lj1 s LEU 387 N -3.98 2.96 0.10 0.37 1.43 -1.26 -1.73 118.68 116.57 1lj1 s LEU 387 Ca 0.43 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1lj1 s LEU 387 Cb 0.01 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1lj1 s LEU 387 CO 0.24 0.18 -0.20 0.68 0.23 0.00 0.00 176.35 177.49 1lj1 s VAL 388 N 0.26 1.60 0.40 -1.59 -7.23 -0.42 -4.22 120.40 109.20 1lj1 s VAL 388 Ca -0.06 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1lj1 s VAL 388 Cb -0.15 -1.47 0.08 0.00 0.56 0.00 0.00 36.38 35.40 1lj1 s VAL 388 CO 0.04 -0.10 0.55 -0.46 -0.31 0.00 0.00 175.10 174.82 1lj1 n ASN 389 N 1.11 0.61 0.31 4.85 0.23 -0.37 -1.18 115.26 120.82 1lj1 n ASN 389 Ca -0.20 -1.54 0.20 0.00 -0.53 0.00 0.00 54.58 52.51 1lj1 n ASN 389 Cb 0.54 -0.36 1.02 0.00 -2.08 0.00 0.00 39.78 38.90 1lj1 n ASN 389 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1lj1 h ARG 390 N 0.00 0.00 -0.11 -3.83 2.43 -1.83 -0.56 114.38 110.48 1lj1 h ARG 390 Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1lj1 h ARG 390 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1lj1 h ARG 390 CO 0.18 0.01 0.00 0.39 -1.51 0.00 0.00 179.97 179.05 1lj1 n GLU 391 N -3.21 1.53 -1.00 0.20 4.71 -1.26 -3.57 120.64 118.04 1lj1 n GLU 391 Ca -0.02 -0.80 -0.00 0.00 -0.01 0.00 0.00 57.16 56.33 1lj1 n GLU 391 Cb 0.14 -1.38 -0.00 0.00 -1.01 0.00 0.00 31.44 29.19 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 1.05 0.44 3.54 0.62 0.00 -0.22 -4.62 105.19 106.00 1lj1 n GLY 392 Ca 0.16 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.01 1.94 0.59 1.61 1.02 -1.26 -3.61 119.74 119.02 1lj1 s LYS 393 Ca 0.00 -1.58 -0.16 0.00 0.02 0.00 0.00 55.97 54.25 1lj1 s LYS 393 Cb 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1lj1 s LYS 393 CO 0.00 0.36 1.07 1.03 -0.92 0.00 0.00 175.35 176.88 1lj1 s ARG 394 N -3.46 3.27 0.00 1.68 0.52 -1.26 -1.24 118.95 118.46 1lj1 s ARG 394 Ca 0.29 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 1lj1 s ARG 394 Cb -0.06 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1lj1 s ARG 394 CO 0.17 -0.86 0.00 1.97 0.02 0.00 0.00 175.30 176.60 1lj1 n PHE 395 N -1.99 0.00 -3.51 -0.53 1.16 -1.26 -4.89 117.46 106.44 1lj1 n PHE 395 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.50 1lj1 n PHE 395 Cb 0.53 0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.35 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 0.00 -0.27 1.97 0.11 -1.26 -5.05 120.40 115.90 1lj1 s VAL 396 Ca 0.00 -0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.76 1lj1 s VAL 396 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1lj1 s VAL 396 CO 0.00 -0.00 1.88 0.21 -3.33 0.00 0.00 175.10 173.86 1lj1 s ASN 397 N -1.42 5.88 0.51 3.54 2.47 -1.26 -4.88 114.94 119.77 1lj1 s ASN 397 Ca -0.09 1.55 0.34 0.00 0.42 0.00 0.00 52.86 55.08 1lj1 s ASN 397 Cb -0.00 -2.52 1.71 0.00 -1.45 0.00 0.00 41.25 38.99 1lj1 s ASN 397 CO 0.07 -1.68 2.04 -0.33 -3.72 0.00 0.00 177.10 173.47 1lj1 h GLU 398 N 13.02 0.00 -0.53 0.43 3.07 -1.93 -2.66 114.58 125.97 1lj1 h GLU 398 Ca -0.36 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.18 1lj1 h GLU 398 Cb 1.19 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.90 1lj1 h GLU 398 CO 1.00 0.00 -0.05 0.44 -1.40 0.00 0.00 179.01 179.00 1lj1 n ILE 399 N -2.78 2.72 -1.87 3.13 -5.35 -1.26 -4.88 119.36 109.07 1lj1 n ILE 399 Ca -0.01 -2.98 -0.29 0.00 -0.27 0.00 0.00 62.75 59.19 1lj1 n ILE 399 Cb 0.14 -0.56 0.13 0.00 -1.74 0.00 0.00 39.64 37.61 1lj1 n ILE 399 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1lj1 s THR 400 N -3.66 1.99 0.86 7.28 -1.32 -1.01 -2.06 115.64 117.72 1lj1 s THR 400 Ca 0.49 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.86 1lj1 s THR 400 Cb 0.43 -2.97 0.11 0.00 -1.51 0.00 0.00 72.50 68.55 1lj1 s THR 400 CO 0.01 0.00 1.11 0.42 -2.21 0.00 0.00 174.62 173.95 1lj1 s THR 401 N -3.66 2.71 0.21 5.08 -4.23 -1.26 -4.43 115.64 110.06 1lj1 s THR 401 Ca 0.67 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 61.31 1lj1 s THR 401 Cb -0.09 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.41 1lj1 s THR 401 CO 0.51 -0.30 1.88 0.00 -0.54 0.00 0.00 174.62 176.17 1lj1 h ALA 402 N -1.53 0.99 -0.26 3.99 0.00 -1.90 -1.86 119.26 118.69 1lj1 h ALA 402 Ca -0.44 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1lj1 h ALA 402 Cb 1.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1lj1 h ALA 402 CO 0.48 0.39 0.10 0.38 0.00 0.00 0.00 179.25 180.59 1lj1 h ASP 403 N 1.04 0.12 -0.07 0.00 -0.00 -1.93 -1.70 116.42 113.88 1lj1 h ASP 403 Ca 0.29 0.02 -0.11 0.00 -0.00 0.00 0.00 57.03 57.23 1lj1 h ASP 403 Cb -0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.22 1lj1 h ASP 403 CO -0.07 0.10 -0.30 0.11 -0.00 0.00 0.00 179.24 179.08 1lj1 h LYS 404 N 0.22 0.54 -0.41 4.15 1.57 -1.85 -2.77 116.57 118.02 1lj1 h LYS 404 Ca 0.11 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1lj1 h LYS 404 Cb 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1lj1 h LYS 404 CO -0.11 0.78 -0.16 0.00 -0.57 0.00 0.00 179.45 179.39 1lj1 h ALA 405 N 1.21 0.57 -0.41 3.86 0.00 -1.27 -2.56 119.26 120.67 1lj1 h ALA 405 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1lj1 h ALA 405 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1lj1 h ALA 405 CO 0.06 0.50 0.16 0.77 0.00 0.00 0.00 179.25 180.75 1lj1 h SER 406 N 0.65 0.57 -0.23 0.00 0.02 -1.31 -2.46 113.55 110.79 1lj1 h SER 406 Ca 0.10 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1lj1 h SER 406 Cb 0.71 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1lj1 h SER 406 CO 0.05 0.58 -0.21 0.00 -1.14 0.00 0.00 176.83 176.11 1lj1 h ALA 407 N 1.01 -0.09 -0.62 3.77 0.00 -1.48 -1.57 119.26 120.29 1lj1 h ALA 407 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1lj1 h ALA 407 Cb 0.19 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1lj1 h ALA 407 CO -0.01 -0.64 0.36 0.00 0.00 0.00 0.00 179.25 178.96 1lj1 h ALA 408 N 0.86 0.81 -0.67 0.00 0.00 -1.31 -1.58 119.26 117.36 1lj1 h ALA 408 Ca 0.13 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1lj1 h ALA 408 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1lj1 h ALA 408 CO -0.36 0.07 0.17 0.82 0.00 0.00 0.00 179.25 179.96 1lj1 h ILE 409 N 0.69 1.26 0.00 0.00 2.04 -1.12 -2.41 117.51 117.97 1lj1 h ILE 409 Ca 0.26 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1lj1 h ILE 409 Cb 0.09 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1lj1 h ILE 409 CO -0.13 0.35 0.00 -0.07 0.00 0.00 0.00 178.15 178.30 1lj1 h LEU 410 N 0.99 0.00 -0.46 1.44 3.38 -1.02 -1.67 115.31 117.97 1lj1 h LEU 410 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1lj1 h LEU 410 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1lj1 h LEU 410 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1lj1 n ALA 411 N -2.02 2.64 -2.40 1.53 0.00 -0.62 -4.58 120.51 115.06 1lj1 n ALA 411 Ca 0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1lj1 n ALA 411 Cb 0.32 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.00 3.14 0.02 0.00 -1.52 -0.63 -5.00 119.66 113.67 1lj1 s GLN 412 Ca 0.43 -0.55 -0.33 0.00 -1.95 0.00 0.00 55.36 52.97 1lj1 s GLN 412 Cb 0.22 -2.62 -0.11 0.00 -0.22 0.00 0.00 33.01 30.27 1lj1 s GLN 412 CO 0.35 -0.15 1.84 2.41 -0.25 0.00 0.00 175.29 179.49 1lj1 n THR 413 N -1.96 0.48 -0.67 -0.19 -1.04 -1.26 -1.39 114.28 108.25 1lj1 n THR 413 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1lj1 n THR 413 Cb 0.57 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 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 4.23 1.14 3.43 3.41 0.00 -1.26 -4.13 105.19 112.01 1lj1 n GLY 414 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.38 -3.97 1.61 5.02 -0.48 -4.98 118.16 106.97 1lj1 n LYS 415 Ca 0.00 0.81 -0.09 0.00 -2.02 0.00 0.00 58.31 57.01 1lj1 n LYS 415 Cb 0.00 -5.77 -0.05 0.00 -0.02 0.00 0.00 35.03 29.19 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 -3.07 -0.11 0.36 4.39 1.04 -1.25 -4.66 113.70 110.41 1lj1 s SER 416 Ca 0.49 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 1lj1 s SER 416 Cb -0.22 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1lj1 s SER 416 CO 0.61 -1.15 0.61 0.00 0.98 0.00 0.00 173.24 174.29 1lj1 s ALA 417 N -4.00 0.14 -0.03 5.32 0.00 -0.78 -4.69 121.76 117.72 1lj1 s ALA 417 Ca 0.21 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1lj1 s ALA 417 Cb -0.01 0.95 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1lj1 s ALA 417 CO 0.08 -0.88 -0.16 0.71 0.00 0.00 0.00 175.76 175.52 1lj1 s TYR 418 N -2.71 1.55 0.13 0.00 2.02 -0.32 -0.80 117.35 117.21 1lj1 s TYR 418 Ca 0.24 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.26 1lj1 s TYR 418 Cb -0.02 -1.03 -0.07 0.00 -0.40 0.00 0.00 41.96 40.43 1lj1 s TYR 418 CO 0.17 -0.12 0.89 -0.51 -1.57 0.00 0.00 175.55 174.41 1lj1 s LEU 419 N -0.06 4.53 -0.12 -1.29 1.43 0.35 -1.29 118.68 122.24 1lj1 s LEU 419 Ca -0.01 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1lj1 s LEU 419 Cb -0.10 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1lj1 s LEU 419 CO 0.01 0.04 -0.16 -0.63 0.23 0.00 0.00 176.35 175.83 1lj1 s ILE 420 N -0.41 1.61 0.33 -0.59 -1.09 -0.71 -1.60 121.20 118.75 1lj1 s ILE 420 Ca 0.42 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 1lj1 s ILE 420 Cb -0.23 -1.47 0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1lj1 s ILE 420 CO 0.28 0.46 0.53 0.72 -1.23 0.00 0.00 174.94 175.70 1lj1 s PHE 421 N 0.98 0.77 0.00 3.97 -0.71 -1.01 -1.93 117.98 120.05 1lj1 s PHE 421 Ca -0.06 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 54.73 1lj1 s PHE 421 Cb -0.15 0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.79 1lj1 s PHE 421 CO -0.02 -1.18 0.00 -0.40 -1.34 0.00 0.00 175.22 172.28 1lj1 n ASP 422 N -1.21 1.86 0.19 1.98 3.85 -1.26 -0.74 116.55 121.22 1lj1 n ASP 422 Ca -0.01 -0.71 0.07 0.00 -0.71 0.00 0.00 54.79 53.43 1lj1 n ASP 422 Cb 0.61 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.66 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 -0.28 -1.12 3.45 -0.96 -2.09 116.42 115.42 1lj1 h ASP 423 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1lj1 h ASP 423 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1lj1 h ASP 423 CO 0.00 0.33 0.03 0.77 -1.57 0.00 0.00 179.24 178.79 1lj1 h SER 424 N 0.00 0.47 0.09 6.45 4.64 -1.92 -1.12 113.55 122.15 1lj1 h SER 424 Ca -0.00 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1lj1 h SER 424 Cb 1.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1lj1 h SER 424 CO 0.04 0.63 -0.04 0.58 -0.87 0.00 0.00 176.83 177.17 1lj1 h VAL 425 N 0.29 0.94 -0.58 0.95 2.07 -1.87 -2.78 116.25 115.27 1lj1 h VAL 425 Ca 0.08 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1lj1 h VAL 425 Cb 0.38 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1lj1 h VAL 425 CO 0.01 0.03 0.04 -0.09 0.02 0.00 0.00 177.57 177.57 1lj1 h ARG 426 N -0.17 0.15 0.00 1.57 2.43 -1.22 -2.06 114.38 115.08 1lj1 h ARG 426 Ca -0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1lj1 h ARG 426 Cb 0.14 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1lj1 h ARG 426 CO 0.02 0.10 -0.15 0.87 -1.51 0.00 0.00 179.97 179.30 1lj1 h LYS 427 N 0.15 0.00 0.00 0.20 1.57 -1.16 -2.53 116.57 114.80 1lj1 h LYS 427 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1lj1 h LYS 427 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1lj1 h LYS 427 CO -0.46 0.15 -0.05 -1.13 -0.57 0.00 0.00 179.45 177.39 1lj1 n SER 428 N -3.44 0.64 -3.53 0.86 3.41 -0.79 -4.61 113.62 106.16 1lj1 n SER 428 Ca -0.01 0.52 -0.28 0.00 -0.26 0.00 0.00 58.87 58.85 1lj1 n SER 428 Cb 0.32 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.46 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 -4.19 0.45 0.59 1.04 2.96 -0.95 -4.51 118.68 114.07 1lj1 s LEU 429 Ca 0.11 -1.19 0.35 0.00 -0.22 0.00 0.00 54.13 53.18 1lj1 s LEU 429 Cb 0.14 -0.25 1.89 0.00 0.50 0.00 0.00 46.19 48.46 1lj1 s LEU 429 CO 0.59 -0.43 2.22 0.77 -1.32 0.00 0.00 176.35 178.18 1lj1 h SER 430 N 8.40 0.00 -0.44 3.68 4.64 -1.18 -1.26 113.55 127.38 1lj1 h SER 430 Ca -0.19 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1lj1 h SER 430 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1lj1 h SER 430 CO 0.42 0.03 0.31 0.50 -0.87 0.00 0.00 176.83 177.22 1lj1 h LYS 431 N 0.00 0.21 -0.10 4.77 1.63 -1.76 -0.59 116.57 120.73 1lj1 h LYS 431 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1lj1 h LYS 431 Cb 0.14 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1lj1 h LYS 431 CO 0.00 0.14 0.06 0.82 -3.45 0.00 0.00 179.45 177.03 1lj1 h ILE 432 N 0.22 1.02 0.00 2.00 2.04 -1.53 0.10 117.51 121.37 1lj1 h ILE 432 Ca 0.20 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1lj1 h ILE 432 Cb 0.53 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1lj1 h ILE 432 CO -0.04 0.02 -0.04 0.44 0.00 0.00 0.00 178.15 178.53 1lj1 h ASP 433 N 0.13 0.00 -0.06 1.72 3.32 -1.29 -1.20 116.42 119.03 1lj1 h ASP 433 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1lj1 h ASP 433 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1lj1 h ASP 433 CO -0.01 0.04 -0.39 0.11 -1.72 0.00 0.00 179.24 177.27 1lj1 h LYS 434 N 0.00 0.58 -0.18 3.56 1.79 -0.90 -1.16 116.57 120.26 1lj1 h LYS 434 Ca -0.00 -0.29 -0.12 0.00 -2.18 0.00 0.00 60.65 58.06 1lj1 h LYS 434 Cb 0.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1lj1 h LYS 434 CO 0.01 0.88 -0.41 1.88 -1.08 0.00 0.00 179.45 180.73 1lj1 h TYR 435 N 0.48 0.49 -0.32 -1.35 -1.99 -1.27 -1.13 116.97 111.88 1lj1 h TYR 435 Ca 0.04 -0.14 -0.04 0.00 2.00 0.00 0.00 58.73 60.60 1lj1 h TYR 435 Cb 0.89 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 1lj1 h TYR 435 CO 0.04 0.76 0.05 0.82 -0.00 0.00 0.00 178.16 179.82 1lj1 h ILE 436 N 0.34 1.23 -0.45 -2.88 2.04 -1.28 -2.15 117.51 114.36 1lj1 h ILE 436 Ca 0.03 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1lj1 h ILE 436 Cb 0.86 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1lj1 h ILE 436 CO 0.07 0.27 0.19 1.23 0.00 0.00 0.00 178.15 179.91 1lj1 h GLY 437 N 0.35 0.69 2.00 5.37 0.00 -1.06 -1.58 103.07 108.85 1lj1 h GLY 437 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1lj1 h GLY 437 CO 0.01 0.31 0.00 -2.00 0.00 0.00 0.00 176.54 174.86 1lj1 h LEU 438 N 0.64 0.00 0.00 3.11 5.85 -0.96 -3.47 115.31 120.49 1lj1 h LEU 438 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1lj1 h LEU 438 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1lj1 h LEU 438 CO -0.02 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.69 1lj1 n GLY 439 N -0.44 0.72 0.82 3.75 0.00 -0.59 -4.98 105.19 104.47 1lj1 n GLY 439 Ca -0.01 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.47 1.36 -3.68 1.61 0.24 -0.85 -4.75 118.33 109.79 1lj1 n VAL 440 Ca 0.00 -1.21 -0.27 0.00 -2.04 0.00 0.00 64.34 60.82 1lj1 n VAL 440 Cb 0.00 0.30 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.41 3.29 -1.66 2.33 0.00 -1.25 -4.51 120.51 119.12 1lj1 n ALA 441 Ca 0.16 -4.11 -0.38 0.00 0.00 0.00 0.00 53.44 49.11 1lj1 n ALA 441 Cb 0.58 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 2.07 1.02 -4.17 0.00 -0.04 -1.16 -4.65 135.00 128.07 1lj1 n PRO 442 Ca 0.24 0.40 -0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1lj1 n PRO 442 Cb 0.40 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 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 -1.45 0.31 0.05 0.52 -1.32 -1.26 -1.72 115.64 110.77 1lj1 s THR 443 Ca 0.78 -1.92 -0.27 0.00 -1.21 0.00 0.00 61.69 59.07 1lj1 s THR 443 Cb -0.40 -1.99 0.09 0.00 -1.51 0.00 0.00 72.50 68.69 1lj1 s THR 443 CO 0.45 -0.55 0.91 0.00 -2.21 0.00 0.00 174.62 173.21 1lj1 s ALA 444 N -3.90 -1.77 -2.18 11.08 0.00 -0.90 -4.96 121.76 119.14 1lj1 s ALA 444 Ca 0.21 0.72 0.17 0.00 0.00 0.00 0.00 51.96 53.07 1lj1 s ALA 444 Cb 0.07 0.50 0.61 0.00 0.00 0.00 0.00 23.12 24.29 1lj1 s ALA 444 CO 0.01 -0.80 1.45 -0.40 0.00 0.00 0.00 175.76 176.01 1lj1 n ASP 445 N -0.32 1.71 -3.77 0.00 5.68 -1.26 -1.34 116.55 117.25 1lj1 n ASP 445 Ca -0.08 -1.80 -0.12 0.00 -0.50 0.00 0.00 54.79 52.28 1lj1 n ASP 445 Cb 0.62 -0.15 -0.08 0.00 -1.14 0.00 0.00 41.12 40.37 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 -1.37 -0.14 0.34 -1.12 1.04 -1.26 -4.83 113.70 106.35 1lj1 s SER 446 Ca 0.29 -0.05 0.16 0.00 0.48 0.00 0.00 55.95 56.83 1lj1 s SER 446 Cb 0.16 0.32 0.58 0.00 0.10 0.00 0.00 66.02 67.17 1lj1 s SER 446 CO 0.23 -0.50 1.70 -0.07 0.98 0.00 0.00 173.24 175.58 1lj1 h LEU 447 N 3.66 0.00 -0.42 2.42 3.38 -1.92 -1.57 115.31 120.86 1lj1 h LEU 447 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1lj1 h LEU 447 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1lj1 h LEU 447 CO 0.42 0.46 0.24 0.58 0.09 0.00 0.00 178.44 180.23 1lj1 h VAL 448 N 0.00 1.15 -0.24 1.22 2.07 -1.97 0.29 116.25 118.77 1lj1 h VAL 448 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1lj1 h VAL 448 Cb 0.94 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1lj1 h VAL 448 CO 0.06 0.15 0.05 0.11 0.02 0.00 0.00 177.57 177.96 1lj1 h LYS 449 N 0.55 0.39 0.06 1.57 1.57 -1.89 -1.88 116.57 116.94 1lj1 h LYS 449 Ca 0.15 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1lj1 h LYS 449 Cb 0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1lj1 h LYS 449 CO -0.03 0.50 -0.22 1.25 -0.57 0.00 0.00 179.45 180.39 1lj1 h LEU 450 N 0.21 -0.62 -0.59 2.94 6.46 -0.98 -0.67 115.31 122.05 1lj1 h LEU 450 Ca 0.08 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1lj1 h LEU 450 Cb 0.29 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 1lj1 h LEU 450 CO 0.00 -0.29 0.31 1.23 -0.62 0.00 0.00 178.44 179.07 1lj1 h GLY 451 N -0.38 0.85 0.90 3.75 0.00 -0.43 -1.48 103.07 106.29 1lj1 h GLY 451 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1lj1 h GLY 451 CO -0.16 0.12 0.62 1.70 0.00 0.00 0.00 176.54 178.83 1lj1 h LYS 452 N 0.58 1.18 -0.82 4.80 1.63 -0.96 0.51 116.57 123.49 1lj1 h LYS 452 Ca 0.27 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1lj1 h LYS 452 Cb 0.18 -0.27 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 1lj1 h LYS 452 CO -0.18 0.78 0.37 0.52 -3.45 0.00 0.00 179.45 177.49 1lj1 h MET 453 N 1.22 1.19 -0.42 1.90 2.86 -0.11 -3.27 114.93 118.30 1lj1 h MET 453 Ca 0.37 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1lj1 h MET 453 Cb -0.02 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1lj1 h MET 453 CO -0.11 0.93 0.00 0.39 1.06 0.00 0.00 176.91 179.18 1lj1 n GLU 454 N -4.29 2.49 -2.32 1.72 -0.58 -0.83 -4.97 120.64 111.86 1lj1 n GLU 454 Ca 0.08 -2.30 -0.03 0.00 -0.42 0.00 0.00 57.16 54.49 1lj1 n GLU 454 Cb 0.16 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 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 1.45 0.44 3.33 0.62 0.00 -0.34 -5.06 105.19 105.63 1lj1 n GLY 455 Ca 0.19 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.53 2.52 -0.19 -0.61 1.01 0.02 -4.93 121.20 116.49 1lj1 s ILE 456 Ca 0.04 -0.88 -0.34 0.00 0.00 0.00 0.00 60.65 59.47 1lj1 s ILE 456 Cb -0.02 -1.98 -0.11 0.00 0.01 0.00 0.00 42.46 40.36 1lj1 s ILE 456 CO 0.05 0.56 2.01 -0.67 0.00 0.00 0.00 174.94 176.89 1lj1 n ASP 457 N 3.09 3.03 -0.25 3.58 -0.08 -1.23 -3.95 116.55 120.74 1lj1 n ASP 457 Ca -0.18 0.71 -0.06 0.00 -1.51 0.00 0.00 54.79 53.76 1lj1 n ASP 457 Cb 0.52 -1.36 0.05 0.00 2.34 0.00 0.00 41.12 42.67 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 10.88 1.00 1.63 0.27 0.00 -1.86 -1.73 103.07 113.27 1lj1 h GLY 458 Ca -0.42 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.31 1lj1 h GLY 458 CO 0.97 0.41 -0.72 0.50 0.00 0.00 0.00 176.54 177.70 1lj1 h LYS 459 N 0.94 0.36 -0.16 4.80 1.57 -1.91 -2.50 116.57 119.65 1lj1 h LYS 459 Ca 0.25 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1lj1 h LYS 459 Cb -0.03 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1lj1 h LYS 459 CO -0.05 0.93 -0.51 0.00 -0.57 0.00 0.00 179.45 179.26 1lj1 h ALA 460 N 0.98 0.82 -0.64 3.86 0.00 -1.82 -2.35 119.26 120.11 1lj1 h ALA 460 Ca -0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1lj1 h ALA 460 Cb 1.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1lj1 h ALA 460 CO 0.12 0.67 0.09 1.25 0.00 0.00 0.00 179.25 181.38 1lj1 h LEU 461 N 0.35 1.03 -0.33 0.00 5.85 -1.26 0.21 115.31 121.16 1lj1 h LEU 461 Ca 0.01 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1lj1 h LEU 461 Cb 1.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1lj1 h LEU 461 CO 0.09 1.03 0.04 0.74 -0.34 0.00 0.00 178.44 180.00 1lj1 h THR 462 N 1.00 1.24 -0.48 1.05 2.02 -1.38 -1.60 112.91 114.76 1lj1 h THR 462 Ca 0.19 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1lj1 h THR 462 Cb 0.45 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1lj1 h THR 462 CO 0.02 0.28 -0.07 -0.08 0.37 0.00 0.00 175.52 176.04 1lj1 h GLU 463 N 0.38 0.85 -0.52 6.66 4.81 -0.99 -1.85 114.58 123.92 1lj1 h GLU 463 Ca 0.10 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1lj1 h GLU 463 Cb 0.37 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1lj1 h GLU 463 CO 0.01 0.90 0.32 1.15 -0.73 0.00 0.00 179.01 180.66 1lj1 h THR 464 N 0.77 1.15 -0.07 0.32 2.02 -0.28 -1.93 112.91 114.89 1lj1 h THR 464 Ca 0.13 -0.31 -0.18 0.00 0.77 0.00 0.00 66.41 66.82 1lj1 h THR 464 Cb 0.57 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1lj1 h THR 464 CO 0.03 0.15 -0.73 0.58 0.37 0.00 0.00 175.52 175.92 1lj1 h VAL 465 N 0.70 1.39 -0.60 3.16 2.07 -1.07 -1.27 116.25 120.63 1lj1 h VAL 465 Ca 0.19 -2.16 -0.06 0.00 0.82 0.00 0.00 66.70 65.49 1lj1 h VAL 465 Cb -0.04 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1lj1 h VAL 465 CO -0.04 0.65 0.14 0.00 0.02 0.00 0.00 177.57 178.34 1lj1 h ALA 466 N 0.96 0.79 -0.09 1.67 0.00 -1.27 -0.28 119.26 121.03 1lj1 h ALA 466 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1lj1 h ALA 466 Cb 1.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1lj1 h ALA 466 CO 0.12 0.50 0.04 -0.09 0.00 0.00 0.00 179.25 179.82 1lj1 h ARG 467 N 0.87 0.14 -0.62 0.00 9.65 -1.08 -2.28 114.38 121.05 1lj1 h ARG 467 Ca 0.19 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.13 1lj1 h ARG 467 Cb 0.36 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.85 1lj1 h ARG 467 CO 0.00 0.25 0.26 -0.92 2.80 0.00 0.00 179.97 182.37 1lj1 h TYR 468 N -0.01 0.47 -0.37 2.20 3.20 -1.04 -1.14 116.97 120.28 1lj1 h TYR 468 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1lj1 h TYR 468 Cb 0.16 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1lj1 h TYR 468 CO -0.02 0.15 0.09 -0.91 -1.64 0.00 0.00 178.16 175.83 1lj1 h ASN 469 N 0.47 0.50 -0.08 -2.11 2.35 -0.92 0.10 115.58 115.89 1lj1 h ASN 469 Ca 0.31 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.89 1lj1 h ASN 469 Cb 0.35 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1lj1 h ASN 469 CO -0.28 0.50 -0.27 -1.28 -1.65 0.00 0.00 177.43 174.46 1lj1 h SER 470 N 0.54 0.53 -0.14 5.81 0.87 -0.75 -0.67 113.55 119.73 1lj1 h SER 470 Ca 0.13 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 1lj1 h SER 470 Cb 0.21 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1lj1 h SER 470 CO -0.00 0.79 -0.36 -0.07 -0.53 0.00 0.00 176.83 176.66 1lj1 h LEU 471 N 0.46 0.69 0.10 2.23 3.38 0.06 -1.35 115.31 120.88 1lj1 h LEU 471 Ca 0.06 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1lj1 h LEU 471 Cb 0.71 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1lj1 h LEU 471 CO 0.05 0.98 -0.06 0.58 0.09 0.00 0.00 178.44 180.08 1lj1 h VAL 472 N 0.55 0.87 -0.62 1.22 2.07 -0.37 0.38 116.25 120.34 1lj1 h VAL 472 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1lj1 h VAL 472 Cb 0.87 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1lj1 h VAL 472 CO 0.08 0.00 0.17 0.77 0.02 0.00 0.00 177.57 178.61 1lj1 h SER 473 N -0.16 0.93 1.15 0.57 4.64 -1.00 -2.22 113.55 117.47 1lj1 h SER 473 Ca -0.01 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1lj1 h SER 473 Cb 0.13 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1lj1 h SER 473 CO 0.01 0.91 0.00 0.77 -0.87 0.00 0.00 176.83 177.65 1lj1 h SER 474 N 0.91 0.00 0.00 4.97 4.64 -1.16 -3.47 113.55 119.44 1lj1 h SER 474 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1lj1 h SER 474 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1lj1 h SER 474 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1lj1 n GLY 475 N 0.28 0.61 2.99 -0.77 0.00 0.10 -5.04 105.19 103.36 1lj1 n GLY 475 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.27 0.15 -0.68 1.61 2.47 -1.11 -5.00 119.74 116.91 1lj1 s LYS 476 Ca 0.00 0.44 -0.17 0.00 -1.56 0.00 0.00 55.97 54.67 1lj1 s LYS 476 Cb 0.00 -0.14 0.14 0.00 -1.46 0.00 0.00 37.83 36.37 1lj1 s LYS 476 CO 0.00 -0.16 0.73 0.34 0.16 0.00 0.00 175.35 176.42 1lj1 s ASP 477 N 1.17 6.38 0.00 1.43 2.15 -1.26 -4.74 116.67 121.79 1lj1 s ASP 477 Ca -0.09 -1.88 0.30 0.00 0.43 0.00 0.00 52.55 51.31 1lj1 s ASP 477 Cb -0.11 -2.27 1.38 0.00 -0.30 0.00 0.00 42.92 41.62 1lj1 s ASP 477 CO -0.07 -0.93 1.97 0.35 -0.17 0.00 0.00 175.17 176.33 1lj1 n THR 478 N 5.11 0.00 -0.07 1.71 -2.24 -1.26 -1.15 114.28 116.38 1lj1 n THR 478 Ca -0.01 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1lj1 n THR 478 Cb 0.44 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.10 0.00 0.00 3.42 3.32 -2.01 -3.43 116.42 117.83 1lj1 h ASP 479 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1lj1 h ASP 479 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1lj1 h ASP 479 CO 0.00 0.85 0.00 0.49 -1.72 0.00 0.00 179.24 178.86 1lj1 n PHE 480 N -4.65 0.00 -2.04 4.55 3.01 -1.25 -5.02 117.46 112.06 1lj1 n PHE 480 Ca -0.09 -0.24 -0.19 0.00 1.01 0.00 0.00 57.45 57.94 1lj1 n PHE 480 Cb 0.30 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.24 -1.44 -1.68 -1.08 1.02 -0.30 -4.28 120.64 112.65 1lj1 n GLU 481 Ca 0.00 1.02 -0.45 0.00 -0.02 0.00 0.00 57.16 57.71 1lj1 n GLU 481 Cb 0.20 -5.47 -0.04 0.00 -0.02 0.00 0.00 31.44 26.11 1lj1 n GLU 481 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1lj1 n ARG 482 N -2.67 2.50 0.11 3.49 0.63 -1.26 -4.89 116.66 114.56 1lj1 n ARG 482 Ca -0.21 0.91 0.13 0.00 -0.92 0.00 0.00 57.85 57.76 1lj1 n ARG 482 Cb 0.65 -2.77 0.41 0.00 0.45 0.00 0.00 32.46 31.20 1lj1 n ARG 482 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1lj1 n PRO 483 N 5.71 0.25 -3.94 -0.14 -0.04 -1.26 -4.32 135.00 131.27 1lj1 n PRO 483 Ca 0.19 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.63 1lj1 n PRO 483 Cb 0.34 -1.81 -0.17 0.00 -0.04 0.00 0.00 33.50 31.82 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 -4.49 1.82 -0.44 3.54 3.84 -1.26 -5.07 114.94 112.88 1lj1 s ASN 484 Ca 0.10 -0.21 0.02 0.00 0.21 0.00 0.00 52.86 52.98 1lj1 s ASN 484 Cb 0.12 -0.66 0.15 0.00 -0.55 0.00 0.00 41.25 40.30 1lj1 s ASN 484 CO 0.58 -0.12 0.27 -0.76 -2.79 0.00 0.00 177.10 174.28 1lj1 s LEU 485 N 1.63 2.26 0.33 3.21 1.43 -1.26 -5.00 118.68 121.27 1lj1 s LEU 485 Ca 0.02 -2.70 0.20 0.00 -1.03 0.00 0.00 54.13 50.61 1lj1 s LEU 485 Cb -0.13 -0.84 0.17 0.00 0.03 0.00 0.00 46.19 45.43 1lj1 s LEU 485 CO -0.05 -0.24 1.41 1.55 0.23 0.00 0.00 176.35 179.25 1lj1 h PRO 486 N 6.50 0.00 -3.14 1.29 0.13 -1.90 -3.47 132.00 131.40 1lj1 h PRO 486 Ca 0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.04 1lj1 h PRO 486 Cb 0.92 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.80 1lj1 h PRO 486 CO 0.43 0.17 -0.42 1.03 -0.23 0.00 0.00 178.00 178.98 1lj1 s ARG 487 N -3.14 0.33 0.27 0.86 0.52 -1.26 -5.06 118.95 111.46 1lj1 s ARG 487 Ca 0.04 0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 55.25 1lj1 s ARG 487 Cb 0.07 0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.60 1lj1 s ARG 487 CO 0.72 -0.05 0.92 0.00 0.02 0.00 0.00 175.30 176.91 1lj1 s ALA 488 N -0.05 3.30 -1.03 2.13 0.00 -1.26 -4.98 121.76 119.87 1lj1 s ALA 488 Ca -0.02 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 1lj1 s ALA 488 Cb -0.02 -3.17 0.19 0.00 0.00 0.00 0.00 23.12 20.12 1lj1 s ALA 488 CO 0.01 0.21 1.16 -0.51 0.00 0.00 0.00 175.76 176.62 1lj1 s LEU 489 N -1.57 5.59 0.00 0.00 1.43 -1.26 -4.60 118.68 118.27 1lj1 s LEU 489 Ca 0.45 -2.74 0.00 0.00 -1.03 0.00 0.00 54.13 50.80 1lj1 s LEU 489 Cb -0.22 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1lj1 s LEU 489 CO 0.28 -0.73 0.29 -0.46 0.23 0.00 0.00 176.35 175.96 1lj1 n ASN 490 N 5.11 0.00 -4.48 2.29 2.04 -1.26 -4.94 115.26 114.02 1lj1 n ASN 490 Ca 0.26 -1.08 -0.36 0.00 -0.44 0.00 0.00 54.58 52.96 1lj1 n ASN 490 Cb 0.45 -0.02 -0.12 0.00 -2.53 0.00 0.00 39.78 37.56 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 3.70 3.61 -3.83 2.12 -1.26 -5.04 118.70 118.01 1lj1 s GLU 491 Ca 0.00 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1lj1 s GLU 491 Cb 0.00 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1lj1 s GLU 491 CO 0.00 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1lj1 n GLY 492 N 4.48 0.40 3.91 -1.50 0.00 -1.26 -1.17 105.19 110.05 1lj1 n GLY 492 Ca -0.16 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 4.16 0.06 1.61 -0.87 -1.26 -4.79 114.94 109.84 1lj1 s ASN 493 Ca 0.00 0.61 0.08 0.00 -1.57 0.00 0.00 52.86 51.98 1lj1 s ASN 493 Cb 0.00 -0.99 -0.03 0.00 -0.02 0.00 0.00 41.25 40.20 1lj1 s ASN 493 CO 0.00 -2.11 -0.20 -0.31 -2.57 0.00 0.00 177.10 171.92 1lj1 s TYR 494 N -3.64 2.50 0.12 2.20 2.02 -0.45 -2.77 117.35 117.34 1lj1 s TYR 494 Ca 0.65 -0.29 0.09 0.00 -0.37 0.00 0.00 57.07 57.15 1lj1 s TYR 494 Cb -0.09 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1lj1 s TYR 494 CO 0.50 0.26 -0.21 0.71 -1.57 0.00 0.00 175.55 175.24 1lj1 s TYR 495 N -0.95 1.84 0.02 2.71 2.02 0.08 -2.12 117.35 120.95 1lj1 s TYR 495 Ca 0.15 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1lj1 s TYR 495 Cb -0.10 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1lj1 s TYR 495 CO 0.06 0.26 -0.12 0.00 -1.57 0.00 0.00 175.55 174.17 1lj1 s ALA 496 N -1.41 0.99 -0.16 3.71 0.00 -0.70 -2.39 121.76 121.80 1lj1 s ALA 496 Ca 0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1lj1 s ALA 496 Cb -0.09 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.90 1lj1 s ALA 496 CO 0.05 0.20 0.01 0.42 0.00 0.00 0.00 175.76 176.44 1lj1 s ILE 497 N -0.63 0.60 0.09 0.00 1.01 -0.63 -2.98 121.20 118.67 1lj1 s ILE 497 Ca 0.02 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 1lj1 s ILE 497 Cb -0.06 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.39 1lj1 s ILE 497 CO 0.00 -0.02 1.24 -0.70 0.00 0.00 0.00 174.94 175.47 1lj1 s GLU 498 N 1.84 4.42 0.09 2.79 2.12 -1.26 -0.49 118.70 128.21 1lj1 s GLU 498 Ca 0.01 1.86 0.05 0.00 0.36 0.00 0.00 54.97 57.25 1lj1 s GLU 498 Cb -0.15 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1lj1 s GLU 498 CO -0.07 -0.27 -0.13 0.14 -0.54 0.00 0.00 175.26 174.39 1lj1 s VAL 499 N 0.88 1.14 0.05 3.70 -7.23 0.02 -1.73 120.40 117.23 1lj1 s VAL 499 Ca 0.59 -1.50 -0.18 0.00 -1.81 0.00 0.00 61.98 59.08 1lj1 s VAL 499 Cb -0.32 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.39 1lj1 s VAL 499 CO 0.31 -0.36 0.42 0.28 -0.31 0.00 0.00 175.10 175.44 1lj1 s THR 500 N -1.79 0.06 0.50 5.32 -1.32 -0.43 -1.86 115.64 116.12 1lj1 s THR 500 Ca 0.03 -0.46 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 1lj1 s THR 500 Cb -0.07 -0.98 -0.07 0.00 -1.51 0.00 0.00 72.50 69.88 1lj1 s THR 500 CO 0.02 -0.25 1.14 -2.84 -2.21 0.00 0.00 174.62 170.48 1lj1 s PRO 501 N -2.64 3.55 0.12 7.08 0.02 -1.06 -1.07 135.00 141.00 1lj1 s PRO 501 Ca -0.04 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 62.64 1lj1 s PRO 501 Cb -0.00 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 1lj1 s PRO 501 CO -0.04 -0.70 0.05 0.20 -0.33 0.00 0.00 177.00 176.19 1lj1 s GLY 502 N -1.59 0.88 -0.11 0.52 0.00 -0.35 -4.72 107.32 101.95 1lj1 s GLY 502 Ca 0.68 -1.40 -0.27 0.00 0.00 0.00 0.00 44.72 43.73 1lj1 s GLY 502 CO 0.30 -1.33 0.88 0.14 0.00 0.00 0.00 173.10 173.09 1lj1 s VAL 503 N -4.02 4.88 0.00 1.40 1.01 -0.12 -0.07 120.40 123.48 1lj1 s VAL 503 Ca 0.21 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1lj1 s VAL 503 Cb 0.07 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1lj1 s VAL 503 CO -0.00 0.07 0.00 1.57 0.00 0.00 0.00 175.10 176.74 1lj1 n HIS 504 N 4.77 0.00 -3.81 5.22 -0.00 -0.51 -2.30 115.22 118.60 1lj1 n HIS 504 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 1lj1 n HIS 504 Cb 0.49 0.01 -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 -1.62 -0.09 -0.33 1.57 5.04 -1.20 -4.85 115.29 113.82 1lj1 s HIS 505 Ca 0.00 0.11 -0.02 0.00 -1.54 0.00 0.00 55.06 53.61 1lj1 s HIS 505 Cb 0.00 0.04 0.07 0.00 0.04 0.00 0.00 32.58 32.72 1lj1 s HIS 505 CO 0.00 -0.34 0.06 0.95 -2.34 0.00 0.00 174.74 173.07 1lj1 s THR 506 N -1.33 3.07 0.26 0.89 -4.23 -1.26 -1.39 115.64 111.65 1lj1 s THR 506 Ca -0.14 -1.59 0.31 0.00 -1.18 0.00 0.00 61.69 59.09 1lj1 s THR 506 Cb -0.06 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.24 1lj1 s THR 506 CO 0.03 -0.28 2.02 0.24 -0.54 0.00 0.00 174.62 176.09 1lj1 h MET 507 N 8.00 0.00 -7.21 3.99 2.86 -1.77 -3.45 114.93 117.35 1lj1 h MET 507 Ca -0.18 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.00 1lj1 h MET 507 Cb 1.06 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.80 1lj1 h MET 507 CO 0.58 0.08 0.16 0.20 1.06 0.00 0.00 176.91 178.99 1lj1 s GLY 508 N -4.21 1.76 0.00 8.32 0.00 -1.18 -4.08 107.32 107.93 1lj1 s GLY 508 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1lj1 s GLY 508 CO 0.56 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 173.41 1lj1 n GLY 509 N -2.89 -0.49 3.77 0.20 0.00 -0.75 -4.36 105.19 100.66 1lj1 n GLY 509 Ca 0.12 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.40 3.05 -0.03 1.61 0.11 0.24 -1.38 120.40 120.60 1lj1 s VAL 510 Ca 0.00 1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.80 1lj1 s VAL 510 Cb 0.00 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1lj1 s VAL 510 CO 0.00 0.24 1.21 -0.32 -3.33 0.00 0.00 175.10 172.90 1lj1 s MET 511 N -1.70 4.37 0.23 1.54 1.75 0.06 -1.46 119.30 124.09 1lj1 s MET 511 Ca 0.48 1.71 0.08 0.00 -1.25 0.00 0.00 55.69 56.71 1lj1 s MET 511 Cb -0.36 -3.51 -0.05 0.00 2.84 0.00 0.00 34.83 33.75 1lj1 s MET 511 CO 0.47 -0.41 -0.14 0.96 -0.65 0.00 0.00 175.02 175.25 1lj1 s ILE 512 N 1.97 1.86 0.31 10.11 -4.36 -1.26 -2.04 121.20 127.79 1lj1 s ILE 512 Ca 0.57 -2.24 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 1lj1 s ILE 512 Cb -0.26 -2.15 0.05 0.00 1.25 0.00 0.00 42.46 41.35 1lj1 s ILE 512 CO 0.24 -0.52 0.43 -0.90 0.24 0.00 0.00 174.94 174.43 1lj1 n ASP 513 N -0.45 1.01 0.01 4.36 5.68 -0.58 -4.91 116.55 121.67 1lj1 n ASP 513 Ca -0.07 -1.75 0.07 0.00 -0.50 0.00 0.00 54.79 52.54 1lj1 n ASP 513 Cb 0.61 -0.24 0.30 0.00 -1.14 0.00 0.00 41.12 40.65 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 -1.73 1.05 -0.33 2.12 -2.24 -1.26 -0.98 114.28 110.90 1lj1 n THR 514 Ca 0.08 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.24 1lj1 n THR 514 Cb 0.31 -1.04 0.32 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.54 2.84 -1.66 -0.78 5.02 -1.26 -4.94 118.16 115.86 1lj1 n LYS 515 Ca 0.03 -2.62 -0.13 0.00 -2.02 0.00 0.00 58.31 53.58 1lj1 n LYS 515 Cb 0.16 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 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 1.51 -0.25 -2.46 7.82 0.00 -0.16 -4.69 120.51 122.28 1lj1 n ALA 516 Ca 0.24 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 1lj1 n ALA 516 Cb 0.65 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.59 4.55 0.26 0.00 2.02 -1.26 -1.87 118.70 118.81 1lj1 s GLU 517 Ca 0.00 1.20 -0.30 0.00 0.02 0.00 0.00 54.97 55.89 1lj1 s GLU 517 Cb 0.00 -3.39 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 1lj1 s GLU 517 CO 0.00 0.18 1.25 0.08 0.02 0.00 0.00 175.26 176.80 1lj1 s VAL 518 N 0.25 3.14 0.17 2.63 1.01 -0.88 -1.52 120.40 125.20 1lj1 s VAL 518 Ca 0.43 1.04 0.11 0.00 0.00 0.00 0.00 61.98 63.56 1lj1 s VAL 518 Cb -0.21 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1lj1 s VAL 518 CO 0.25 0.21 -0.25 -0.04 0.00 0.00 0.00 175.10 175.27 1lj1 s MET 519 N -0.95 1.46 0.49 2.72 -1.94 -0.87 -1.67 119.30 118.56 1lj1 s MET 519 Ca 0.51 -1.46 -0.02 0.00 -1.71 0.00 0.00 55.69 53.01 1lj1 s MET 519 Cb -0.36 -1.83 0.10 0.00 2.01 0.00 0.00 34.83 34.75 1lj1 s MET 519 CO 0.43 0.41 0.68 0.27 -0.01 0.00 0.00 175.02 176.80 1lj1 n ASN 520 N 0.50 0.68 0.28 3.03 0.23 -0.65 -1.47 115.26 117.86 1lj1 n ASN 520 Ca -0.15 -1.63 0.13 0.00 -0.53 0.00 0.00 54.58 52.41 1lj1 n ASN 520 Cb 0.55 -0.46 0.81 0.00 -2.08 0.00 0.00 39.78 38.60 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 -0.84 1.46 -0.18 -2.53 0.00 -1.89 0.59 119.26 115.86 1lj1 h ALA 521 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1lj1 h ALA 521 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1lj1 h ALA 521 CO 0.22 0.07 0.00 1.63 0.00 0.00 0.00 179.25 181.17 1lj1 n LYS 522 N -3.82 1.45 -2.70 0.00 5.02 -1.26 -4.91 118.16 111.94 1lj1 n LYS 522 Ca -0.03 -0.69 -0.15 0.00 -2.02 0.00 0.00 58.31 55.42 1lj1 n LYS 522 Cb 0.15 -1.18 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.05 -3.04 -4.34 1.97 4.01 0.20 -5.03 118.16 111.98 1lj1 n LYS 523 Ca 0.08 0.63 -0.34 0.00 -0.51 0.00 0.00 58.31 58.17 1lj1 n LYS 523 Cb 0.17 -4.90 -0.09 0.00 -0.51 0.00 0.00 35.03 29.70 1lj1 n LYS 523 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1lj1 s GLN 524 N -5.24 2.88 0.47 1.97 -0.21 -1.26 -4.87 119.66 113.40 1lj1 s GLN 524 Ca 0.18 -0.51 -0.24 0.00 0.02 0.00 0.00 55.36 54.81 1lj1 s GLN 524 Cb -0.08 -2.72 -0.07 0.00 1.00 0.00 0.00 33.01 31.14 1lj1 s GLN 524 CO 0.22 0.66 1.26 0.08 -2.12 0.00 0.00 175.29 175.39 1lj1 s VAL 525 N -0.98 2.67 -0.43 1.09 1.01 -1.26 -1.63 120.40 120.87 1lj1 s VAL 525 Ca 0.16 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1lj1 s VAL 525 Cb -0.11 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.04 1lj1 s VAL 525 CO 0.06 0.02 0.31 -0.63 0.00 0.00 0.00 175.10 174.86 1lj1 s ILE 526 N -1.39 4.82 0.18 2.22 1.01 -0.67 -4.92 121.20 122.46 1lj1 s ILE 526 Ca 0.64 -1.07 -0.32 0.00 0.00 0.00 0.00 60.65 59.90 1lj1 s ILE 526 Cb -0.35 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.18 1lj1 s ILE 526 CO 0.43 -0.46 1.61 -2.84 0.00 0.00 0.00 174.94 173.68 1lj1 s PRO 527 N 1.57 4.19 0.00 2.79 0.02 -1.26 -2.62 135.00 139.68 1lj1 s PRO 527 Ca 0.03 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1lj1 s PRO 527 Cb -0.22 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1lj1 s PRO 527 CO 0.06 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1lj1 n GLY 528 N 3.81 1.64 3.55 0.52 0.00 -1.26 -1.56 105.19 111.88 1lj1 n GLY 528 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.62 0.21 0.99 2.96 -1.08 -1.01 118.68 124.36 1lj1 s LEU 529 Ca 0.00 -0.06 0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1lj1 s LEU 529 Cb 0.00 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1lj1 s LEU 529 CO 0.00 0.09 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.62 1lj1 s TYR 530 N 0.90 1.97 0.02 5.38 1.51 -0.30 -2.07 117.35 124.75 1lj1 s TYR 530 Ca 0.03 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1lj1 s TYR 530 Cb -0.14 -0.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1lj1 s TYR 530 CO 0.03 0.45 -0.07 0.20 -1.11 0.00 0.00 175.55 175.05 1lj1 s GLY 531 N -3.03 0.38 -0.22 0.71 0.00 -0.78 -1.74 107.32 102.63 1lj1 s GLY 531 Ca 0.21 -0.47 -0.16 0.00 0.00 0.00 0.00 44.72 44.30 1lj1 s GLY 531 CO 0.09 -0.47 0.56 0.00 0.00 0.00 0.00 173.10 173.28 1lj1 s ALA 532 N -0.67 -1.45 0.00 3.20 0.00 -0.46 -4.79 121.76 117.58 1lj1 s ALA 532 Ca -0.03 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1lj1 s ALA 532 Cb -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1lj1 s ALA 532 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1lj1 n GLY 533 N 3.63 -0.69 0.11 0.00 0.00 -1.26 -4.35 105.19 102.63 1lj1 n GLY 533 Ca -0.18 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 0.14 0.20 1.61 2.13 -1.26 -1.30 120.64 122.16 1lj1 n GLU 534 Ca 0.00 0.46 0.15 0.00 0.66 0.00 0.00 57.16 58.43 1lj1 n GLU 534 Cb 0.00 -1.82 0.60 0.00 0.27 0.00 0.00 31.44 30.49 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 0.00 -2.99 6.31 3.04 -1.76 -3.38 116.25 117.47 1lj1 h VAL 535 Ca 0.00 -0.34 -0.47 0.00 -1.01 0.00 0.00 66.70 64.88 1lj1 h VAL 535 Cb 0.23 1.19 0.03 0.00 -2.01 0.00 0.00 31.29 30.73 1lj1 h VAL 535 CO 0.00 0.00 -0.05 0.42 -1.01 0.00 0.00 177.57 176.93 1lj1 s THR 536 N -3.49 4.30 0.18 3.17 -4.23 -0.42 -0.59 115.64 114.56 1lj1 s THR 536 Ca 0.03 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.29 1lj1 s THR 536 Cb 0.09 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1lj1 s THR 536 CO 0.45 -0.47 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.07 1lj1 s GLY 537 N -4.18 1.41 0.00 3.99 0.00 -0.54 -3.93 107.32 104.08 1lj1 s GLY 537 Ca 0.47 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1lj1 s GLY 537 CO 0.39 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.46 1lj1 n GLY 538 N -0.02 2.55 0.17 0.20 0.00 -1.26 -4.46 105.19 102.36 1lj1 n GLY 538 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 1.36 -0.01 1.61 2.07 -1.88 -0.03 116.25 119.37 1lj1 h VAL 539 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1lj1 h VAL 539 Cb 0.00 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1lj1 h VAL 539 CO 0.00 0.63 -0.20 1.41 0.02 0.00 0.00 177.57 179.44 1lj1 n HIS 540 N -4.08 0.00 -4.75 1.57 -0.00 -1.26 -4.65 115.22 102.05 1lj1 n HIS 540 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 1lj1 n HIS 540 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.74 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 1.01 2.30 0.04 -1.41 0.00 -1.26 -3.33 105.19 102.53 1lj1 n GLY 541 Ca 0.07 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1lj1 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj1 n ALA 542 N 8.66 2.87 -3.39 4.61 0.00 -0.97 -4.76 120.51 127.53 1lj1 n ALA 542 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.22 1lj1 n ALA 542 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 1lj1 n ALA 542 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1lj1 s ASN 543 N -2.82 -0.67 0.33 0.00 2.47 -1.21 -4.81 114.94 108.22 1lj1 s ASN 543 Ca 0.18 0.84 -0.15 0.00 0.42 0.00 0.00 52.86 54.15 1lj1 s ASN 543 Cb 0.19 1.73 -0.09 0.00 -1.45 0.00 0.00 41.25 41.63 1lj1 s ASN 543 CO 0.57 -0.13 0.74 -0.60 -3.72 0.00 0.00 177.10 173.96 1lj1 s ARG 544 N 2.57 4.00 0.11 0.43 3.52 -1.26 -3.41 118.95 124.91 1lj1 s ARG 544 Ca -0.02 0.67 -0.23 0.00 -0.13 0.00 0.00 55.73 56.03 1lj1 s ARG 544 Cb -0.08 -2.42 -0.07 0.00 -1.56 0.00 0.00 34.95 30.82 1lj1 s ARG 544 CO -0.17 0.15 0.70 -0.51 -0.81 0.00 0.00 175.30 174.65 1lj1 s LEU 545 N -3.01 4.55 0.28 -0.88 1.43 -1.26 -4.77 118.68 115.01 1lj1 s LEU 545 Ca 0.54 1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 54.81 1lj1 s LEU 545 Cb -0.10 -3.14 -0.13 0.00 0.03 0.00 0.00 46.19 42.86 1lj1 s LEU 545 CO 0.18 0.20 1.45 0.61 0.23 0.00 0.00 176.35 179.02 1lj1 n GLY 546 N 1.77 0.93 0.84 -3.19 0.00 -1.26 -1.40 105.19 102.87 1lj1 n GLY 546 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1lj1 n GLY 546 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj1 n GLY 547 N 1.89 3.31 0.16 -0.02 0.00 -1.26 -4.78 105.19 104.48 1lj1 n GLY 547 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 0.08 1.61 2.35 -1.51 -0.76 115.58 117.35 1lj1 h ASN 548 Ca 0.00 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 1lj1 h ASN 548 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1lj1 h ASN 548 CO 0.00 0.01 -0.86 0.00 -1.65 0.00 0.00 177.43 174.93 1lj1 h ALA 549 N 2.22 0.35 -0.41 -0.83 0.00 -1.91 -1.66 119.26 117.03 1lj1 h ALA 549 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 1lj1 h ALA 549 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1lj1 h ALA 549 CO 0.00 0.73 -0.20 0.82 0.00 0.00 0.00 179.25 180.60 1lj1 h ILE 550 N 0.38 1.27 -0.14 0.00 1.08 -1.82 -1.79 117.51 116.49 1lj1 h ILE 550 Ca -0.07 -1.31 0.01 0.00 -0.39 0.00 0.00 64.86 63.11 1lj1 h ILE 550 Cb 1.48 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 1lj1 h ILE 550 CO 0.16 0.44 0.06 -1.28 -0.69 0.00 0.00 178.15 176.84 1lj1 h SER 551 N 0.70 0.07 -0.34 1.72 0.87 -1.60 -2.79 113.55 112.20 1lj1 h SER 551 Ca 0.10 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1lj1 h SER 551 Cb 0.71 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 1lj1 h SER 551 CO 0.05 0.06 0.01 -0.78 -0.53 0.00 0.00 176.83 175.65 1lj1 h ASP 552 N 0.13 -0.12 0.49 6.23 3.58 -1.08 -2.65 116.42 122.99 1lj1 h ASP 552 Ca 0.06 0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 1lj1 h ASP 552 Cb 0.02 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1lj1 h ASP 552 CO -0.05 -0.02 -0.57 0.16 -2.88 0.00 0.00 179.24 175.88 1lj1 h ILE 553 N 0.10 1.40 0.06 2.25 3.07 -1.16 0.51 117.51 123.74 1lj1 h ILE 553 Ca 0.16 -1.93 -0.00 0.00 1.55 0.00 0.00 64.86 64.64 1lj1 h ILE 553 Cb 0.22 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1lj1 h ILE 553 CO -0.27 0.56 -0.03 0.40 -1.05 0.00 0.00 178.15 177.77 1lj1 h ILE 554 N 0.07 1.27 0.38 0.16 1.08 -1.48 0.08 117.51 119.08 1lj1 h ILE 554 Ca -0.00 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 1lj1 h ILE 554 Cb 1.02 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.86 1lj1 h ILE 554 CO 0.08 0.31 -0.30 0.74 -0.69 0.00 0.00 178.15 178.29 1lj1 h THR 555 N -0.68 0.37 -0.02 -0.27 2.02 -1.39 -1.59 112.91 111.35 1lj1 h THR 555 Ca -0.01 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1lj1 h THR 555 Cb 0.57 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1lj1 h THR 555 CO 0.01 0.00 -0.74 -0.26 0.37 0.00 0.00 175.52 174.91 1lj1 h PHE 556 N -0.68 0.22 -0.36 3.16 0.04 -1.02 -2.31 116.94 115.99 1lj1 h PHE 556 Ca -0.03 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 1lj1 h PHE 556 Cb 0.59 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1lj1 h PHE 556 CO -0.15 0.83 0.11 0.78 -0.60 0.00 0.00 178.31 179.29 1lj1 h GLY 557 N 1.80 0.60 0.97 -1.45 0.00 -0.92 -1.80 103.07 102.27 1lj1 h GLY 557 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1lj1 h GLY 557 CO 0.11 0.34 0.22 -0.09 0.00 0.00 0.00 176.54 177.11 1lj1 h ARG 558 N 0.43 0.58 -0.35 4.80 2.43 -1.22 -1.94 114.38 119.12 1lj1 h ARG 558 Ca 0.12 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1lj1 h ARG 558 Cb 0.26 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1lj1 h ARG 558 CO -0.00 0.48 0.17 1.25 -1.51 0.00 0.00 179.97 180.36 1lj1 h LEU 559 N 0.53 0.25 -0.83 3.80 5.85 -1.37 -2.21 115.31 121.33 1lj1 h LEU 559 Ca 0.14 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1lj1 h LEU 559 Cb 0.07 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1lj1 h LEU 559 CO -0.02 0.18 0.01 0.00 -0.34 0.00 0.00 178.44 178.27 1lj1 h ALA 560 N 1.19 1.02 -0.62 1.25 0.00 -1.13 -0.54 119.26 120.43 1lj1 h ALA 560 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1lj1 h ALA 560 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1lj1 h ALA 560 CO -0.11 0.60 0.10 0.78 0.00 0.00 0.00 179.25 180.63 1lj1 h GLY 561 N 0.99 1.11 0.91 0.00 0.00 -1.10 0.19 103.07 105.17 1lj1 h GLY 561 Ca 0.16 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1lj1 h GLY 561 CO 0.02 0.68 -0.05 0.83 0.00 0.00 0.00 176.54 178.02 1lj1 h GLU 562 N 0.94 0.61 -0.77 4.80 5.08 -0.94 -2.16 114.58 122.14 1lj1 h GLU 562 Ca 0.19 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1lj1 h GLU 562 Cb 0.42 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1lj1 h GLU 562 CO 0.01 0.77 0.40 0.93 -1.00 0.00 0.00 179.01 180.13 1lj1 h GLU 563 N 0.39 1.09 -0.50 2.33 4.39 -0.98 -2.13 114.58 119.17 1lj1 h GLU 563 Ca 0.09 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1lj1 h GLU 563 Cb 0.53 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1lj1 h GLU 563 CO 0.03 0.82 0.16 0.00 -1.16 0.00 0.00 179.01 178.86 1lj1 h ALA 564 N 1.21 0.65 -0.53 3.43 0.00 -0.87 -1.25 119.26 121.90 1lj1 h ALA 564 Ca 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1lj1 h ALA 564 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1lj1 h ALA 564 CO -0.04 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.68 1lj1 h ALA 565 N 1.02 0.70 -0.63 0.00 0.00 -1.26 -0.40 119.26 118.68 1lj1 h ALA 565 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1lj1 h ALA 565 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1lj1 h ALA 565 CO -0.01 0.35 0.29 0.87 0.00 0.00 0.00 179.25 180.76 1lj1 h LYS 566 N 0.73 0.92 -0.28 0.00 1.57 -1.27 -2.67 116.57 115.57 1lj1 h LYS 566 Ca 0.17 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1lj1 h LYS 566 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1lj1 h LYS 566 CO -0.01 0.75 0.16 -0.92 -0.57 0.00 0.00 179.45 178.86 1lj1 h TYR 567 N 0.88 0.38 0.00 -1.35 3.20 -1.16 -3.51 116.97 115.40 1lj1 h TYR 567 Ca 0.22 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1lj1 h TYR 567 Cb 0.14 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1lj1 h TYR 567 CO 0.00 0.30 0.00 0.43 -1.64 0.00 0.00 178.16 177.25