#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj s SER 2 N 0.00 1.31 0.32 4.04 0.01 -1.26 -5.15 113.70 112.98 1lkj s SER 2 Ca 0.00 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.96 1lkj s SER 2 Cb 0.00 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 1lkj s SER 2 CO 0.00 -0.35 0.17 -0.46 0.41 0.00 0.00 173.24 173.02 1lkj n ASN 3 N 5.32 0.43 -4.56 2.44 6.94 -1.26 -5.14 115.26 119.42 1lkj n ASN 3 Ca -0.04 -2.87 -0.30 0.00 -0.02 0.00 0.00 54.58 51.36 1lkj n ASN 3 Cb 0.48 1.12 0.22 0.00 -2.36 0.00 0.00 39.78 39.24 1lkj n ASN 3 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1lkj s LEU 4 N 0.00 1.74 0.42 -4.53 1.43 -1.26 -5.03 118.68 111.44 1lkj s LEU 4 Ca 0.25 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 1lkj s LEU 4 Cb 0.01 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 1lkj s LEU 4 CO 0.17 -3.78 0.31 0.42 0.23 0.00 0.00 176.35 173.71 1lkj s THR 5 N -2.52 2.53 0.24 5.49 -4.23 -1.26 -4.92 115.64 110.97 1lkj s THR 5 Ca 0.68 -1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 59.66 1lkj s THR 5 Cb -0.24 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.82 1lkj s THR 5 CO 0.62 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 176.24 1lkj h GLU 6 N 1.16 1.01 -0.33 3.99 4.39 -1.97 0.28 114.58 123.12 1lkj h GLU 6 Ca -0.42 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 1lkj h GLU 6 Cb 1.26 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1lkj h GLU 6 CO 0.62 0.67 0.14 0.93 -1.16 0.00 0.00 179.01 180.21 1lkj h GLU 7 N 1.05 0.48 -0.25 2.33 4.39 -1.98 0.24 114.58 120.83 1lkj h GLU 7 Ca 0.36 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.92 1lkj h GLU 7 Cb 0.07 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1lkj h GLU 7 CO -0.14 0.47 -0.07 1.96 -1.16 0.00 0.00 179.01 180.07 1lkj h GLN 8 N 0.38 0.50 0.00 2.33 1.08 -1.82 -2.56 115.11 115.02 1lkj h GLN 8 Ca 0.11 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1lkj h GLN 8 Cb 0.16 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1lkj h GLN 8 CO -0.01 0.73 -0.26 0.82 -0.95 0.00 0.00 178.83 179.16 1lkj h ILE 9 N 0.24 1.05 -0.38 2.54 2.04 -0.33 -2.70 117.51 119.97 1lkj h ILE 9 Ca 0.06 -0.93 -0.14 0.00 1.00 0.00 0.00 64.86 64.85 1lkj h ILE 9 Cb 0.55 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1lkj h ILE 9 CO 0.03 0.25 -0.31 0.00 0.00 0.00 0.00 178.15 178.12 1lkj h ALA 10 N 1.74 0.56 -0.22 1.87 0.00 -0.29 -2.01 119.26 120.91 1lkj h ALA 10 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1lkj h ALA 10 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1lkj h ALA 10 CO 0.03 0.61 0.03 1.49 0.00 0.00 0.00 179.25 181.41 1lkj h GLU 11 N 0.70 0.36 -0.58 0.00 4.57 -1.16 -2.57 114.58 115.91 1lkj h GLU 11 Ca 0.07 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1lkj h GLU 11 Cb 0.90 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 1lkj h GLU 11 CO 0.08 0.51 0.24 0.74 -1.18 0.00 0.00 179.01 179.39 1lkj h PHE 12 N 0.16 0.83 -0.85 0.92 0.04 -1.49 -2.38 116.94 114.16 1lkj h PHE 12 Ca 0.07 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1lkj h PHE 12 Cb 0.32 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1lkj h PHE 12 CO 0.02 0.64 0.43 -0.22 -0.60 0.00 0.00 178.31 178.59 1lkj h LYS 13 N 0.82 1.21 -0.21 1.51 3.64 -1.16 0.33 116.57 122.72 1lkj h LYS 13 Ca 0.20 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1lkj h LYS 13 Cb 0.15 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1lkj h LYS 13 CO -0.02 0.91 0.04 0.93 -2.27 0.00 0.00 179.45 179.04 1lkj h GLU 14 N 1.20 0.35 -0.15 1.90 5.08 -1.04 0.72 114.58 122.65 1lkj h GLU 14 Ca 0.30 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1lkj h GLU 14 Cb 0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1lkj h GLU 14 CO -0.04 0.49 -0.54 0.00 -1.00 0.00 0.00 179.01 177.92 1lkj h ALA 15 N 0.85 0.79 -0.21 3.43 0.00 -1.25 -2.12 119.26 120.75 1lkj h ALA 15 Ca 0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1lkj h ALA 15 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1lkj h ALA 15 CO 0.00 0.69 -0.24 0.35 0.00 0.00 0.00 179.25 180.05 1lkj h PHE 16 N 0.34 0.64 0.00 0.00 3.04 -0.22 -3.03 116.94 117.72 1lkj h PHE 16 Ca 0.01 -0.20 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 1lkj h PHE 16 Cb 1.05 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1lkj h PHE 16 CO 0.04 0.89 -0.29 0.00 -2.02 0.00 0.00 178.31 176.93 1lkj h ALA 17 N 0.64 1.25 -0.33 2.41 0.00 -0.85 -1.03 119.26 121.36 1lkj h ALA 17 Ca 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 17 Cb 0.80 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1lkj h ALA 17 CO 0.06 0.36 0.19 -0.07 0.00 0.00 0.00 179.25 179.80 1lkj h LEU 18 N 0.00 0.40 0.00 0.00 3.38 -1.25 -2.95 115.31 114.89 1lkj h LEU 18 Ca -0.00 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1lkj h LEU 18 Cb 0.62 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1lkj h LEU 18 CO 0.04 0.35 -1.05 -0.26 0.09 0.00 0.00 178.44 177.60 1lkj h PHE 19 N 0.42 0.00 -2.00 1.13 -1.00 -1.51 -3.43 116.94 110.55 1lkj h PHE 19 Ca 0.12 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.39 1lkj h PHE 19 Cb 0.02 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1lkj h PHE 19 CO -0.04 0.77 1.41 0.34 -1.61 0.00 0.00 178.31 179.19 1lkj s ASP 20 N -6.35 5.17 -0.50 2.17 2.15 -0.40 -4.83 116.67 114.07 1lkj s ASP 20 Ca 0.00 0.72 0.05 0.00 0.43 0.00 0.00 52.55 53.75 1lkj s ASP 20 Cb 0.09 -2.52 0.39 0.00 -0.30 0.00 0.00 42.92 40.58 1lkj s ASP 20 CO 0.80 -2.38 1.13 0.29 -0.17 0.00 0.00 175.17 174.83 1lkj n LYS 21 N 9.01 3.39 0.00 4.34 4.76 -1.26 -4.88 118.16 133.52 1lkj n LYS 21 Ca 0.25 -4.56 0.00 0.00 -2.87 0.00 0.00 58.31 51.13 1lkj n LYS 21 Cb 0.52 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 1lkj n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1lkj n ASP 22 N -0.42 0.00 -1.12 4.39 8.00 -1.26 -5.09 116.55 121.05 1lkj n ASP 22 Ca 0.38 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.86 1lkj n ASP 22 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1lkj n ASN 23 N 0.00 -0.33 0.00 -2.24 5.15 -1.26 -5.06 115.26 111.52 1lkj n ASN 23 Ca 0.00 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.10 1lkj n ASN 23 Cb 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1lkj n ASN 24 N -0.18 0.00 0.00 1.20 5.03 -1.26 -5.10 115.26 114.95 1lkj n ASN 24 Ca -0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.38 1lkj n ASN 24 Cb 0.47 0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1lkj n GLY 25 N -0.01 -0.77 2.96 7.41 0.00 -1.26 -5.09 105.19 108.44 1lkj n GLY 25 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1lkj n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lkj s SER 26 N 0.00 -0.03 0.15 1.61 0.01 -1.26 -3.21 113.70 110.96 1lkj s SER 26 Ca 0.00 0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.37 1lkj s SER 26 Cb 0.00 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1lkj s SER 26 CO 0.00 -0.08 -0.17 0.27 0.41 0.00 0.00 173.24 173.67 1lkj s ILE 27 N -0.25 1.61 0.62 1.44 -4.36 -0.48 -4.76 121.20 115.03 1lkj s ILE 27 Ca -0.03 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.42 1lkj s ILE 27 Cb -0.02 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 1lkj s ILE 27 CO 0.00 -0.35 1.03 -0.55 0.24 0.00 0.00 174.94 175.31 1lkj s SER 28 N -2.57 6.21 0.48 4.36 0.15 -1.26 0.05 113.70 121.12 1lkj s SER 28 Ca 0.13 1.41 0.18 0.00 0.70 0.00 0.00 55.95 58.37 1lkj s SER 28 Cb -0.05 -2.46 1.17 0.00 -1.71 0.00 0.00 66.02 62.96 1lkj s SER 28 CO 0.05 -0.88 2.05 0.28 1.20 0.00 0.00 173.24 175.93 1lkj h SER 29 N -0.33 0.00 0.04 5.45 0.02 -1.98 -1.74 113.55 115.02 1lkj h SER 29 Ca -0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1lkj h SER 29 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1lkj h SER 29 CO 0.62 0.14 -0.03 0.28 -1.14 0.00 0.00 176.83 176.69 1lkj h SER 30 N 0.00 0.00 0.26 3.07 0.02 -1.94 -1.74 113.55 113.22 1lkj h SER 30 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lkj h SER 30 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1lkj h SER 30 CO 0.02 0.03 -1.25 -0.62 -1.14 0.00 0.00 176.83 173.86 1lkj n GLU 31 N -4.29 0.33 0.05 3.45 1.02 -0.69 -4.38 120.64 116.12 1lkj n GLU 31 Ca -0.03 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.95 1lkj n GLU 31 Cb 0.12 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 1lkj n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1lkj h LEU 32 N 0.00 -0.30 -1.04 -4.62 5.85 -0.86 0.17 115.31 114.51 1lkj h LEU 32 Ca 0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1lkj h LEU 32 Cb 0.76 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1lkj h LEU 32 CO 0.00 -0.15 0.64 0.00 -0.34 0.00 0.00 178.44 178.59 1lkj h ALA 33 N 0.79 1.39 -0.44 1.25 0.00 -1.76 -1.78 119.26 118.71 1lkj h ALA 33 Ca 0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1lkj h ALA 33 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1lkj h ALA 33 CO -0.10 0.49 -0.27 1.15 0.00 0.00 0.00 179.25 180.52 1lkj h THR 34 N 1.21 1.27 -0.26 0.00 2.02 -1.61 -2.47 112.91 113.06 1lkj h THR 34 Ca 0.41 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1lkj h THR 34 Cb 0.08 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1lkj h THR 34 CO -0.14 0.49 0.09 0.58 0.37 0.00 0.00 175.52 176.90 1lkj h VAL 35 N 0.79 1.12 -0.11 3.16 2.07 0.01 -1.99 116.25 121.29 1lkj h VAL 35 Ca 0.09 -0.38 -0.19 0.00 0.82 0.00 0.00 66.70 67.04 1lkj h VAL 35 Cb 0.85 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1lkj h VAL 35 CO 0.08 0.14 -0.72 0.24 0.02 0.00 0.00 177.57 177.33 1lkj h MET 36 N 0.37 0.54 -0.17 1.57 2.86 -1.11 -2.18 114.93 116.81 1lkj h MET 36 Ca 0.09 -0.43 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 1lkj h MET 36 Cb 0.11 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1lkj h MET 36 CO -0.01 1.05 -0.26 0.00 1.06 0.00 0.00 176.91 178.76 1lkj h ARG 37 N 0.37 0.30 0.00 1.72 3.08 -0.92 -0.20 114.38 118.73 1lkj h ARG 37 Ca -0.03 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.73 1lkj h ARG 37 Cb 1.31 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 1lkj h ARG 37 CO 0.13 0.54 -0.88 0.77 -1.07 0.00 0.00 179.97 179.46 1lkj h SER 38 N 0.27 0.00 0.89 7.04 0.02 -1.33 -3.23 113.55 117.21 1lkj h SER 38 Ca 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1lkj h SER 38 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1lkj h SER 38 CO 0.04 0.88 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.20 1lkj h LEU 39 N 0.00 0.00 0.00 5.07 3.38 -1.10 -3.46 115.31 119.20 1lkj h LEU 39 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lkj h LEU 39 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1lkj h LEU 39 CO 0.11 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1lkj n GLY 40 N 0.25 1.12 3.67 0.83 0.00 -1.00 -5.10 105.19 104.95 1lkj n GLY 40 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1lkj n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 41 N 0.00 2.21 -0.40 0.99 1.43 -0.12 -5.02 118.68 117.78 1lkj s LEU 41 Ca 0.00 -1.65 0.04 0.00 -1.03 0.00 0.00 54.13 51.49 1lkj s LEU 41 Cb 0.00 -0.52 0.30 0.00 0.03 0.00 0.00 46.19 46.00 1lkj s LEU 41 CO 0.00 -0.86 1.19 -1.54 0.23 0.00 0.00 176.35 175.36 1lkj n SER 42 N -1.26 -1.89 -4.75 2.29 3.41 -1.26 -4.31 113.62 105.84 1lkj n SER 42 Ca -0.14 -2.66 -0.41 0.00 -0.26 0.00 0.00 58.87 55.40 1lkj n SER 42 Cb 0.66 1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 66.00 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1lkj s PRO 43 N 0.25 4.55 1.09 4.33 0.04 -1.26 -5.02 135.00 138.98 1lkj s PRO 43 Ca 0.24 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1lkj s PRO 43 Cb 0.26 -3.21 0.24 0.00 0.04 0.00 0.00 34.50 31.83 1lkj s PRO 43 CO -0.14 0.04 1.06 -1.12 0.04 0.00 0.00 177.00 176.88 1lkj s SER 44 N -0.34 1.68 0.58 6.66 0.01 -1.26 -4.65 113.70 116.39 1lkj s SER 44 Ca 0.49 1.52 0.28 0.00 1.31 0.00 0.00 55.95 59.54 1lkj s SER 44 Cb -0.32 -2.23 1.65 0.00 0.21 0.00 0.00 66.02 65.32 1lkj s SER 44 CO 0.39 -3.76 2.12 -0.08 0.41 0.00 0.00 173.24 172.32 1lkj h GLU 45 N -2.32 0.00 -0.24 12.44 4.81 -2.00 -0.96 114.58 126.31 1lkj h GLU 45 Ca -0.57 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.46 1lkj h GLU 45 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1lkj h GLU 45 CO 0.51 0.00 -0.63 0.00 -0.73 0.00 0.00 179.01 178.16 1lkj h ALA 46 N 1.81 0.40 -0.31 2.92 0.00 -2.00 -2.40 119.26 119.67 1lkj h ALA 46 Ca 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1lkj h ALA 46 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1lkj h ALA 46 CO -0.00 0.67 -0.39 0.93 0.00 0.00 0.00 179.25 180.46 1lkj h GLU 47 N 0.62 0.72 -0.51 0.00 5.08 -1.51 -2.55 114.58 116.43 1lkj h GLU 47 Ca -0.01 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1lkj h GLU 47 Cb 1.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1lkj h GLU 47 CO 0.14 0.99 -0.04 0.28 -1.00 0.00 0.00 179.01 179.38 1lkj h VAL 48 N 0.60 1.26 -0.41 3.13 2.07 -1.39 -1.88 116.25 119.63 1lkj h VAL 48 Ca 0.05 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1lkj h VAL 48 Cb 0.93 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1lkj h VAL 48 CO 0.08 0.40 0.02 -1.13 0.02 0.00 0.00 177.57 176.96 1lkj h ASN 49 N 0.82 0.69 -0.45 0.57 -1.24 -1.31 0.21 115.58 114.87 1lkj h ASN 49 Ca 0.15 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.84 1lkj h ASN 49 Cb 0.54 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1lkj h ASN 49 CO 0.03 0.82 0.20 -0.78 -1.29 0.00 0.00 177.43 176.40 1lkj h ASP 50 N 0.54 0.60 -0.36 1.15 3.58 -1.29 0.63 116.42 121.27 1lkj h ASP 50 Ca 0.12 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 1lkj h ASP 50 Cb 0.45 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1lkj h ASP 50 CO 0.02 0.59 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.87 1lkj h LEU 51 N 0.58 0.64 -1.50 2.28 4.07 -1.23 -2.63 115.31 117.52 1lkj h LEU 51 Ca 0.15 -0.32 -0.05 0.00 0.08 0.00 0.00 57.88 57.73 1lkj h LEU 51 Cb 0.16 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1lkj h LEU 51 CO -0.02 0.81 -0.26 0.24 -1.08 0.00 0.00 178.44 178.14 1lkj h MET 52 N 0.45 0.00 -0.28 1.13 2.86 -0.77 -2.58 114.93 115.74 1lkj h MET 52 Ca 0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1lkj h MET 52 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1lkj h MET 52 CO 0.02 0.26 -0.04 -0.91 1.06 0.00 0.00 176.91 177.30 1lkj h ASN 53 N 0.00 0.52 -0.45 1.22 4.21 -0.54 0.51 115.58 121.05 1lkj h ASN 53 Ca -0.00 -0.35 -0.06 0.00 1.21 0.00 0.00 56.30 57.11 1lkj h ASN 53 Cb 0.48 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1lkj h ASN 53 CO 0.03 0.74 0.09 -0.08 -1.29 0.00 0.00 177.43 176.93 1lkj h GLU 54 N 0.29 0.81 0.09 0.81 4.57 -1.22 -3.25 114.58 116.68 1lkj h GLU 54 Ca 0.07 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1lkj h GLU 54 Cb 0.50 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1lkj h GLU 54 CO 0.02 0.75 -0.04 0.82 -1.18 0.00 0.00 179.01 179.38 1lkj h ILE 55 N 0.77 0.41 -2.03 2.32 2.04 -1.30 -3.42 117.51 116.31 1lkj h ILE 55 Ca 0.17 -1.17 -0.51 0.00 1.00 0.00 0.00 64.86 64.34 1lkj h ILE 55 Cb 0.33 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1lkj h ILE 55 CO 0.00 0.13 1.43 -0.62 0.00 0.00 0.00 178.15 179.10 1lkj s ASP 56 N -5.55 5.18 -0.19 1.72 2.15 0.18 -4.75 116.67 115.41 1lkj s ASP 56 Ca -0.06 0.93 -0.09 0.00 0.43 0.00 0.00 52.55 53.76 1lkj s ASP 56 Cb -0.00 -2.52 -0.21 0.00 -0.30 0.00 0.00 42.92 39.89 1lkj s ASP 56 CO 0.22 -2.33 0.10 0.52 -0.17 0.00 0.00 175.17 173.51 1lkj n VAL 57 N 7.54 1.63 -1.65 1.11 0.31 -1.26 -4.50 118.33 121.51 1lkj n VAL 57 Ca 0.27 -0.47 0.03 0.00 -0.01 0.00 0.00 64.34 64.15 1lkj n VAL 57 Cb 0.51 -1.75 0.19 0.00 -0.91 0.00 0.00 33.84 31.88 1lkj n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lkj n ASP 58 N -3.73 2.07 0.00 4.52 -0.08 -1.26 -4.93 116.55 113.13 1lkj n ASP 58 Ca -0.38 -3.88 0.00 0.00 -1.51 0.00 0.00 54.79 49.01 1lkj n ASP 58 Cb 0.94 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 59 N -1.07 2.96 3.19 0.27 0.00 -1.26 -5.00 105.19 104.28 1lkj n GLY 59 Ca 0.22 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1lkj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkj s ASN 60 N 0.34 1.97 -0.29 1.61 4.22 -1.26 -4.95 114.94 116.57 1lkj s ASN 60 Ca 0.00 -0.51 -0.15 0.00 -2.14 0.00 0.00 52.86 50.06 1lkj s ASN 60 Cb 0.00 -0.13 0.14 0.00 1.28 0.00 0.00 41.25 42.54 1lkj s ASN 60 CO 0.00 0.06 0.93 -2.28 -2.04 0.00 0.00 177.10 173.77 1lkj s HIS 61 N -0.89 -0.69 -0.23 1.54 2.46 -1.26 -4.35 115.29 111.86 1lkj s HIS 61 Ca 0.03 1.33 -0.19 0.00 0.47 0.00 0.00 55.06 56.70 1lkj s HIS 61 Cb -0.08 0.42 -0.03 0.00 -0.13 0.00 0.00 32.58 32.75 1lkj s HIS 61 CO 0.02 -0.34 0.56 -0.65 -2.47 0.00 0.00 174.74 171.85 1lkj s GLN 62 N 1.70 4.14 -0.13 2.88 -0.21 -1.26 -3.92 119.66 122.86 1lkj s GLN 62 Ca -0.08 0.44 -0.29 0.00 0.02 0.00 0.00 55.36 55.45 1lkj s GLN 62 Cb -0.05 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.34 1lkj s GLN 62 CO -0.16 -0.29 1.02 0.42 -2.12 0.00 0.00 175.29 174.16 1lkj s ILE 63 N 2.08 4.76 0.40 1.08 1.01 0.11 -4.80 121.20 125.84 1lkj s ILE 63 Ca 0.24 2.04 -0.02 0.00 0.00 0.00 0.00 60.65 62.91 1lkj s ILE 63 Cb -0.16 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1lkj s ILE 63 CO 0.09 -0.03 0.64 -1.61 0.00 0.00 0.00 174.94 174.03 1lkj s GLU 64 N 2.24 3.49 0.59 2.79 2.02 -1.26 -1.39 118.70 127.18 1lkj s GLU 64 Ca 0.48 -0.15 0.29 0.00 0.02 0.00 0.00 54.97 55.61 1lkj s GLU 64 Cb -0.18 -2.55 1.59 0.00 0.10 0.00 0.00 34.13 33.09 1lkj s GLU 64 CO 0.16 0.00 2.02 0.35 0.02 0.00 0.00 175.26 177.81 1lkj h PHE 65 N 0.54 0.00 0.09 1.61 3.57 -1.95 0.55 116.94 121.35 1lkj h PHE 65 Ca -0.49 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 1lkj h PHE 65 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1lkj h PHE 65 CO 0.53 0.00 -0.04 0.66 -2.23 0.00 0.00 178.31 177.23 1lkj h SER 66 N 0.00 -0.10 0.19 0.41 4.64 -1.92 -2.21 113.55 114.55 1lkj h SER 66 Ca 0.13 -0.49 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 1lkj h SER 66 Cb 0.74 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1lkj h SER 66 CO -0.00 0.51 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.86 1lkj h GLU 67 N -0.81 0.16 -0.14 4.77 5.08 -1.76 -2.62 114.58 119.26 1lkj h GLU 67 Ca -0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1lkj h GLU 67 Cb 0.58 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1lkj h GLU 67 CO 0.02 0.43 -0.06 0.35 -1.00 0.00 0.00 179.01 178.75 1lkj h PHE 68 N 0.14 0.33 -0.70 4.33 3.57 -0.96 -2.34 116.94 121.31 1lkj h PHE 68 Ca 0.02 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1lkj h PHE 68 Cb 0.57 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1lkj h PHE 68 CO 0.01 0.61 0.43 -0.07 -2.23 0.00 0.00 178.31 177.05 1lkj h LEU 69 N -0.05 0.83 -0.12 0.59 3.38 -1.26 -0.75 115.31 117.94 1lkj h LEU 69 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 69 Cb 0.51 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1lkj h LEU 69 CO 0.02 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.21 1lkj h ALA 70 N 1.52 0.15 -0.48 1.53 0.00 -1.36 0.14 119.26 120.77 1lkj h ALA 70 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1lkj h ALA 70 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1lkj h ALA 70 CO -0.05 -0.22 0.07 -0.07 0.00 0.00 0.00 179.25 178.98 1lkj h LEU 71 N -0.01 0.70 -0.54 0.00 3.38 -1.06 -2.54 115.31 115.23 1lkj h LEU 71 Ca 0.04 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1lkj h LEU 71 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1lkj h LEU 71 CO -0.00 0.72 -0.40 0.24 0.09 0.00 0.00 178.44 179.09 1lkj h MET 72 N 0.71 0.73 -0.76 1.13 2.86 -0.93 -2.74 114.93 115.93 1lkj h MET 72 Ca 0.15 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1lkj h MET 72 Cb 0.33 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1lkj h MET 72 CO 0.01 1.00 0.38 0.66 1.06 0.00 0.00 176.91 180.02 1lkj h SER 73 N 0.60 0.97 -0.53 1.22 4.64 -0.58 0.82 113.55 120.70 1lkj h SER 73 Ca 0.05 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1lkj h SER 73 Cb 0.95 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1lkj h SER 73 CO 0.09 0.81 -0.10 0.03 -0.87 0.00 0.00 176.83 176.78 1lkj h ARG 74 N 1.08 1.02 0.08 4.77 3.08 -1.33 -3.01 114.38 120.06 1lkj h ARG 74 Ca 0.27 -0.37 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 1lkj h ARG 74 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1lkj h ARG 74 CO -0.04 1.06 -1.17 1.96 -1.07 0.00 0.00 179.97 180.72 1lkj h GLN 75 N 0.91 0.16 -1.84 0.04 1.08 -1.15 -3.31 115.11 111.01 1lkj h GLN 75 Ca 0.14 -0.28 -0.62 0.00 -1.45 0.00 0.00 58.65 56.45 1lkj h GLN 75 Cb 0.67 0.10 -0.23 0.00 -0.05 0.00 0.00 27.48 27.98 1lkj h GLN 75 CO 0.05 1.12 0.73 1.28 -0.95 0.00 0.00 178.83 181.06 1lkj n LEU 76 N -3.45 7.06 -4.80 1.46 4.77 0.28 -4.98 117.00 117.34 1lkj n LEU 76 Ca -0.06 -4.34 -0.35 0.00 -0.03 0.00 0.00 56.01 51.23 1lkj n LEU 76 Cb 0.99 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1lkj n LEU 76 CO 0.51 1.67 0.70 -0.75 -1.33 0.00 0.00 177.39 178.19 1lkj s LYS 77 N -2.95 4.08 -0.37 3.23 2.20 -1.15 -4.85 119.74 119.94 1lkj s LYS 77 Ca 0.54 1.34 0.06 0.00 -0.36 0.00 0.00 55.97 57.55 1lkj s LYS 77 Cb 0.41 -2.31 0.25 0.00 -1.51 0.00 0.00 37.83 34.68 1lkj s LYS 77 CO -0.26 -0.18 1.23 -1.13 -0.36 0.00 0.00 175.35 174.65 1lkj n SER 78 N -0.49 -1.60 -3.67 1.43 3.41 -1.26 -5.13 113.62 106.31 1lkj n SER 78 Ca 0.07 -2.16 -0.08 0.00 -0.26 0.00 0.00 58.87 56.44 1lkj n SER 78 Cb 0.52 1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.42 1lkj n SER 78 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1lkj s ASN 79 N -0.77 -0.57 -0.31 4.04 2.47 -1.26 -5.12 114.94 113.42 1lkj s ASN 79 Ca 0.14 1.10 -0.02 0.00 0.42 0.00 0.00 52.86 54.50 1lkj s ASN 79 Cb 0.26 1.21 0.19 0.00 -1.45 0.00 0.00 41.25 41.46 1lkj s ASN 79 CO -0.06 -0.22 0.83 -0.62 -3.72 0.00 0.00 177.10 173.31 1lkj s ASP 80 N 1.97 -0.98 0.03 -4.21 -1.08 -1.26 -5.04 116.67 106.10 1lkj s ASP 80 Ca -0.07 -0.02 -0.20 0.00 -0.52 0.00 0.00 52.55 51.74 1lkj s ASP 80 Cb -0.09 1.53 -0.18 0.00 -1.46 0.00 0.00 42.92 42.72 1lkj s ASP 80 CO -0.15 -0.16 1.23 0.28 0.52 0.00 0.00 175.17 176.89 1lkj h SER 81 N 7.28 0.49 0.50 -0.34 0.02 -1.99 -2.22 113.55 117.28 1lkj h SER 81 Ca -0.04 -0.62 -0.02 0.00 -0.84 0.00 0.00 61.79 60.27 1lkj h SER 81 Cb 1.19 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1lkj h SER 81 CO 0.02 1.02 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.41 1lkj h GLU 82 N -0.02 -0.64 -0.64 3.45 4.81 -1.98 -2.33 114.58 117.23 1lkj h GLU 82 Ca -0.02 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1lkj h GLU 82 Cb 0.99 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1lkj h GLU 82 CO 0.08 -0.39 0.42 1.96 -0.73 0.00 0.00 179.01 180.35 1lkj h GLN 83 N -0.75 0.56 -0.86 1.92 1.08 -1.98 -1.26 115.11 113.82 1lkj h GLN 83 Ca -0.07 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1lkj h GLN 83 Cb 0.55 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 1lkj h GLN 83 CO 0.11 0.37 0.42 0.93 -0.95 0.00 0.00 178.83 179.71 1lkj h GLU 84 N 0.58 1.23 -0.31 1.46 5.08 -1.07 -1.21 114.58 120.33 1lkj h GLU 84 Ca 0.28 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1lkj h GLU 84 Cb 0.37 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1lkj h GLU 84 CO -0.09 0.94 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.74 1lkj h LEU 85 N 1.22 0.59 -1.38 1.33 3.38 -0.70 -2.44 115.31 117.30 1lkj h LEU 85 Ca 0.30 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1lkj h LEU 85 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1lkj h LEU 85 CO -0.04 0.79 -0.03 -0.07 0.09 0.00 0.00 178.44 179.18 1lkj h LEU 86 N 0.37 0.34 -0.22 1.67 3.38 -1.19 -2.22 115.31 117.44 1lkj h LEU 86 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 86 Cb 0.52 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1lkj h LEU 86 CO 0.03 0.43 -0.05 -0.33 0.09 0.00 0.00 178.44 178.60 1lkj h GLU 87 N 0.36 0.42 -0.19 1.13 5.08 -1.00 -1.86 114.58 118.50 1lkj h GLU 87 Ca 0.08 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1lkj h GLU 87 Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1lkj h GLU 87 CO 0.01 0.66 0.10 0.00 -1.00 0.00 0.00 179.01 178.78 1lkj h ALA 88 N 0.75 0.24 0.00 3.43 0.00 -1.18 -2.08 119.26 120.42 1lkj h ALA 88 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1lkj h ALA 88 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lkj h ALA 88 CO 0.02 -0.22 -0.07 0.74 0.00 0.00 0.00 179.25 179.72 1lkj h PHE 89 N 0.20 0.00 -0.33 0.00 0.04 -1.40 -2.27 116.94 113.19 1lkj h PHE 89 Ca 0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 1lkj h PHE 89 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1lkj h PHE 89 CO -0.04 0.07 -0.28 -0.22 -0.60 0.00 0.00 178.31 177.24 1lkj h LYS 90 N 0.00 0.76 -0.52 1.51 3.64 -0.67 -2.18 116.57 119.12 1lkj h LYS 90 Ca -0.00 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1lkj h LYS 90 Cb 0.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1lkj h LYS 90 CO 0.01 1.01 0.25 0.28 -2.27 0.00 0.00 179.45 178.73 1lkj h VAL 91 N 0.53 1.20 0.00 2.00 2.07 -0.91 -2.22 116.25 118.92 1lkj h VAL 91 Ca 0.06 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1lkj h VAL 91 Cb 0.85 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1lkj h VAL 91 CO 0.07 0.22 -0.27 -0.26 0.02 0.00 0.00 177.57 177.35 1lkj h PHE 92 N 0.69 0.00 -2.43 1.57 -1.00 -1.45 -3.38 116.94 110.94 1lkj h PHE 92 Ca 0.18 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.34 1lkj h PHE 92 Cb 0.12 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.55 1lkj h PHE 92 CO -0.01 0.27 0.76 0.34 -1.61 0.00 0.00 178.31 178.07 1lkj s ASP 93 N -6.78 6.26 0.39 2.17 2.15 -0.82 -4.85 116.67 115.19 1lkj s ASP 93 Ca -0.03 -1.07 0.19 0.00 0.43 0.00 0.00 52.55 52.06 1lkj s ASP 93 Cb 0.14 -2.46 0.80 0.00 -0.30 0.00 0.00 42.92 41.11 1lkj s ASP 93 CO 0.69 -1.47 1.80 0.11 -0.17 0.00 0.00 175.17 176.13 1lkj h LYS 94 N 9.57 0.00 0.50 4.34 1.79 -1.78 -3.28 116.57 127.71 1lkj h LYS 94 Ca -0.18 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1lkj h LYS 94 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1lkj h LYS 94 CO 1.21 0.34 -0.25 -0.91 -1.08 0.00 0.00 179.45 178.77 1lkj h ASN 95 N 0.00 -0.59 0.00 0.86 4.21 -1.90 -3.48 115.58 114.68 1lkj h ASN 95 Ca -0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1lkj h ASN 95 Cb 0.77 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 1lkj h ASN 95 CO 0.04 -0.41 0.00 0.61 -1.29 0.00 0.00 177.43 176.38 1lkj n GLY 96 N -1.34 1.39 0.10 2.83 0.00 -1.24 -4.99 105.19 101.93 1lkj n GLY 96 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1lkj n GLY 96 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1lkj h ASP 97 N 1.93 -0.09 0.00 1.61 3.58 -1.92 -3.48 116.42 118.05 1lkj h ASP 97 Ca 0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1lkj h ASP 97 Cb 0.00 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1lkj h ASP 97 CO 0.00 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.48 1lkj n GLY 98 N 0.63 0.35 3.33 -0.78 0.00 -1.26 -4.97 105.19 102.50 1lkj n GLY 98 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1lkj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 99 N 0.00 2.49 0.09 0.99 1.43 -1.26 -1.66 118.68 120.75 1lkj s LEU 99 Ca 0.00 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1lkj s LEU 99 Cb 0.00 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1lkj s LEU 99 CO 0.00 0.19 0.17 0.27 0.23 0.00 0.00 176.35 177.21 1lkj s ILE 100 N 0.16 0.15 0.63 -0.59 -4.36 -0.92 -4.74 121.20 111.53 1lkj s ILE 100 Ca -0.10 -1.26 -0.11 0.00 -0.26 0.00 0.00 60.65 58.92 1lkj s ILE 100 Cb -0.16 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1lkj s ILE 100 CO 0.06 -0.67 1.03 -0.44 0.24 0.00 0.00 174.94 175.16 1lkj s SER 101 N -2.87 6.17 0.47 4.36 0.01 -1.26 -0.64 113.70 119.93 1lkj s SER 101 Ca 0.06 1.42 0.21 0.00 1.31 0.00 0.00 55.95 58.95 1lkj s SER 101 Cb 0.05 -2.45 1.23 0.00 0.21 0.00 0.00 66.02 65.06 1lkj s SER 101 CO -0.10 -0.91 1.92 0.00 0.41 0.00 0.00 173.24 174.56 1lkj h ALA 102 N -0.35 2.37 0.13 1.44 0.00 -1.96 -1.12 119.26 119.77 1lkj h ALA 102 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1lkj h ALA 102 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1lkj h ALA 102 CO 0.62 -0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.22 1lkj h ALA 103 N 1.65 -0.18 -0.08 0.00 0.00 -1.93 -1.30 119.26 117.42 1lkj h ALA 103 Ca 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1lkj h ALA 103 Cb 1.11 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1lkj h ALA 103 CO -0.08 -0.49 -0.15 0.93 0.00 0.00 0.00 179.25 179.46 1lkj h GLU 104 N -0.39 0.12 -0.44 0.00 5.08 -1.66 -2.27 114.58 115.02 1lkj h GLU 104 Ca -0.02 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1lkj h GLU 104 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1lkj h GLU 104 CO 0.03 0.28 -0.23 1.25 -1.00 0.00 0.00 179.01 179.34 1lkj h LEU 105 N 0.12 0.96 -0.60 1.33 5.85 -0.98 -1.89 115.31 120.09 1lkj h LEU 105 Ca 0.02 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 1lkj h LEU 105 Cb 0.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1lkj h LEU 105 CO 0.02 1.15 -0.13 0.50 -0.34 0.00 0.00 178.44 179.65 1lkj h LYS 106 N 0.76 0.98 -0.58 1.25 3.64 -0.82 -2.31 116.57 119.49 1lkj h LYS 106 Ca 0.10 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1lkj h LYS 106 Cb 0.80 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1lkj h LYS 106 CO 0.07 1.04 -0.02 1.25 -2.27 0.00 0.00 179.45 179.52 1lkj h HIS 107 N 0.87 1.14 -0.67 1.91 2.76 -1.33 -2.41 115.15 117.42 1lkj h HIS 107 Ca 0.13 -0.21 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 1lkj h HIS 107 Cb 0.68 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 1lkj h HIS 107 CO 0.04 1.02 0.15 0.28 -1.30 0.00 0.00 177.93 178.12 1lkj h VAL 108 N 0.93 1.26 -0.21 5.26 2.07 -1.21 -0.55 116.25 123.81 1lkj h VAL 108 Ca 0.16 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1lkj h VAL 108 Cb 0.58 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1lkj h VAL 108 CO 0.03 0.37 -0.19 -0.07 0.02 0.00 0.00 177.57 177.73 1lkj h LEU 109 N 1.02 0.35 0.06 2.57 4.07 -1.23 -2.07 115.31 120.07 1lkj h LEU 109 Ca 0.21 -0.10 -0.26 0.00 0.08 0.00 0.00 57.88 57.82 1lkj h LEU 109 Cb 0.38 -0.09 0.02 0.00 1.08 0.00 0.00 40.66 42.05 1lkj h LEU 109 CO 0.00 0.56 -1.04 0.74 -1.08 0.00 0.00 178.44 177.62 1lkj h THR 110 N 0.33 1.32 -0.52 0.22 2.02 -1.00 -2.87 112.91 112.41 1lkj h THR 110 Ca 0.06 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 64.91 1lkj h THR 110 Cb 0.53 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 1lkj h THR 110 CO 0.03 0.70 0.27 0.28 0.37 0.00 0.00 175.52 177.18 1lkj h SER 111 N 0.23 0.65 0.05 4.18 0.02 -0.96 -1.82 113.55 115.90 1lkj h SER 111 Ca -0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1lkj h SER 111 Cb 1.72 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.10 1lkj h SER 111 CO 0.20 0.57 -0.03 0.40 -1.14 0.00 0.00 176.83 176.83 1lkj h ILE 112 N 0.69 0.68 0.00 3.27 2.04 -1.45 -3.46 117.51 119.28 1lkj h ILE 112 Ca 0.18 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1lkj h ILE 112 Cb 0.07 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1lkj h ILE 112 CO -0.03 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1lkj n GLY 113 N -1.28 0.92 3.74 5.37 0.00 -0.68 -5.03 105.19 108.22 1lkj n GLY 113 Ca -0.03 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1lkj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 114 N -2.57 4.43 -1.34 1.61 0.41 -1.09 -4.89 118.70 115.26 1lkj s GLU 114 Ca 0.00 1.98 -0.12 0.00 -0.41 0.00 0.00 54.97 56.42 1lkj s GLU 114 Cb 0.00 -3.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.08 1lkj s GLU 114 CO 0.00 -0.19 2.47 1.17 -0.49 0.00 0.00 175.26 178.22 1lkj n LYS 115 N 2.60 2.88 -3.79 1.61 3.00 -1.26 -4.78 118.16 118.42 1lkj n LYS 115 Ca 0.05 -2.12 -0.30 0.00 -0.00 0.00 0.00 58.31 55.95 1lkj n LYS 115 Cb 0.44 -2.88 -0.15 0.00 0.00 0.00 0.00 35.03 32.44 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1lkj s LEU 116 N 0.83 2.63 0.00 3.14 1.43 -1.26 -5.08 118.68 120.37 1lkj s LEU 116 Ca 0.56 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1lkj s LEU 116 Cb 0.15 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1lkj s LEU 116 CO -0.04 -0.40 0.00 0.35 0.23 0.00 0.00 176.35 176.49 1lkj n THR 117 N 4.75 0.00 0.11 5.49 -2.24 -1.26 -4.69 114.28 116.44 1lkj n THR 117 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1lkj n THR 117 Cb 0.42 -0.30 0.12 0.00 -2.10 0.00 0.00 70.33 68.47 1lkj n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1lkj h ASP 118 N -1.23 0.15 -0.53 3.42 5.19 -2.00 -3.06 116.42 118.37 1lkj h ASP 118 Ca 0.00 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1lkj h ASP 118 Cb 0.00 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1lkj h ASP 118 CO 0.00 0.75 0.27 0.00 -3.12 0.00 0.00 179.24 177.14 1lkj h ALA 119 N 1.24 0.68 0.29 3.45 0.00 -1.99 -0.25 119.26 122.68 1lkj h ALA 119 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1lkj h ALA 119 Cb 1.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lkj h ALA 119 CO 0.09 0.23 -0.14 0.93 0.00 0.00 0.00 179.25 180.36 1lkj h GLU 120 N 0.71 -0.37 -0.07 0.00 4.39 -1.87 -1.96 114.58 115.41 1lkj h GLU 120 Ca 0.18 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.93 1lkj h GLU 120 Cb 0.09 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1lkj h GLU 120 CO -0.03 -0.16 0.06 0.28 -1.16 0.00 0.00 179.01 178.00 1lkj h VAL 121 N -0.51 0.83 -0.07 3.13 2.07 -1.43 -1.25 116.25 119.01 1lkj h VAL 121 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1lkj h VAL 121 Cb 0.38 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1lkj h VAL 121 CO 0.06 0.00 -0.03 -0.78 0.02 0.00 0.00 177.57 176.84 1lkj h ASP 122 N 0.00 0.16 0.00 0.57 3.58 -0.54 0.16 116.42 120.35 1lkj h ASP 122 Ca 0.03 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 57.00 1lkj h ASP 122 Cb 0.15 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1lkj h ASP 122 CO -0.00 0.52 -0.23 -0.78 -2.88 0.00 0.00 179.24 175.87 1lkj h ASP 123 N -0.21 0.38 0.72 2.28 1.82 -0.76 -2.44 116.42 118.21 1lkj h ASP 123 Ca 0.02 -0.12 -0.19 0.00 -0.39 0.00 0.00 57.03 56.36 1lkj h ASP 123 Cb 0.46 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1lkj h ASP 123 CO 0.01 0.62 -0.86 -0.03 -1.61 0.00 0.00 179.24 177.37 1lkj h MET 124 N 0.35 0.09 -0.14 0.28 4.05 -1.16 -3.19 114.93 115.20 1lkj h MET 124 Ca 0.06 -0.10 -0.12 0.00 -0.28 0.00 0.00 59.70 59.25 1lkj h MET 124 Cb 0.60 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1lkj h MET 124 CO 0.04 0.89 -0.46 -0.07 0.23 0.00 0.00 176.91 177.54 1lkj h LEU 125 N 0.05 0.36 -0.70 3.39 3.38 -0.36 -1.21 115.31 120.22 1lkj h LEU 125 Ca -0.03 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1lkj h LEU 125 Cb 1.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 1lkj h LEU 125 CO 0.12 0.77 0.09 -0.09 0.09 0.00 0.00 178.44 179.43 1lkj h ARG 126 N 0.28 1.09 0.00 1.13 2.43 -1.43 0.93 114.38 118.81 1lkj h ARG 126 Ca 0.02 -0.30 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 1lkj h ARG 126 Cb 0.91 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1lkj h ARG 126 CO 0.08 1.01 -0.74 1.49 -1.51 0.00 0.00 179.97 180.30 1lkj h GLU 127 N 1.02 0.00 0.00 0.20 4.81 -1.54 -3.38 114.58 115.69 1lkj h GLU 127 Ca 0.20 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1lkj h GLU 127 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1lkj h GLU 127 CO 0.01 0.73 -0.76 0.28 -0.73 0.00 0.00 179.01 178.55 1lkj n VAL 128 N -3.28 1.45 -1.69 0.32 0.31 -0.47 -4.89 118.33 110.09 1lkj n VAL 128 Ca 0.01 0.15 -0.44 0.00 -0.01 0.00 0.00 64.34 64.04 1lkj n VAL 128 Cb 0.83 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 1lkj n VAL 128 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1lkj n SER 129 N -4.56 3.38 -0.07 4.52 7.64 0.32 -4.89 113.62 119.97 1lkj n SER 129 Ca -0.14 1.08 -0.08 0.00 1.01 0.00 0.00 58.87 60.75 1lkj n SER 129 Cb 0.39 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.01 1lkj n SER 129 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1lkj n ASP 130 N 3.42 1.98 0.00 6.43 9.92 -1.26 -4.76 116.55 132.28 1lkj n ASP 130 Ca 0.16 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1lkj n ASP 130 Cb 0.31 0.55 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkj n GLY 131 N 2.31 0.04 1.61 0.44 0.00 -1.26 -5.10 105.19 103.23 1lkj n GLY 131 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1lkj n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lkj n SER 132 N 0.00 0.07 0.00 1.61 2.88 -1.26 -5.10 113.62 111.82 1lkj n SER 132 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1lkj n SER 132 Cb 0.00 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lkj n GLY 133 N 2.28 1.79 3.73 0.46 0.00 -1.26 -5.11 105.19 107.07 1lkj n GLY 133 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1lkj n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 134 N 0.00 4.20 0.14 1.61 2.02 -1.26 -3.89 118.70 121.52 1lkj s GLU 134 Ca 0.00 -0.16 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1lkj s GLU 134 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1lkj s GLU 134 CO 0.00 0.28 0.26 0.42 0.02 0.00 0.00 175.26 176.25 1lkj s ILE 135 N 0.39 5.25 -0.02 -1.63 1.01 0.19 -4.82 121.20 121.58 1lkj s ILE 135 Ca 0.10 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1lkj s ILE 135 Cb -0.11 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1lkj s ILE 135 CO -0.01 -0.07 0.53 0.20 0.00 0.00 0.00 174.94 175.59 1lkj s ASN 136 N -3.15 6.89 0.41 3.58 -0.87 -1.26 -2.16 114.94 118.38 1lkj s ASN 136 Ca 0.34 1.05 0.28 0.00 -1.57 0.00 0.00 52.86 52.96 1lkj s ASN 136 Cb -0.11 -2.32 0.96 0.00 -0.02 0.00 0.00 41.25 39.76 1lkj s ASN 136 CO 0.28 0.14 1.80 0.16 -2.57 0.00 0.00 177.10 176.92 1lkj h ILE 137 N 4.11 0.00 0.42 0.60 3.07 -1.69 -3.17 117.51 120.85 1lkj h ILE 137 Ca -0.46 -0.55 -0.02 0.00 1.55 0.00 0.00 64.86 65.38 1lkj h ILE 137 Cb 1.20 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 1lkj h ILE 137 CO 0.69 0.00 -0.20 -0.61 -1.05 0.00 0.00 178.15 176.97 1lkj h GLN 138 N 0.00 -0.54 -0.37 0.16 4.15 -1.93 0.74 115.11 117.32 1lkj h GLN 138 Ca 0.00 0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1lkj h GLN 138 Cb 0.62 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1lkj h GLN 138 CO 0.00 -0.36 -0.21 1.96 -1.93 0.00 0.00 178.83 178.29 1lkj h GLN 139 N -0.56 0.79 -0.59 1.69 4.20 -1.98 -2.55 115.11 116.11 1lkj h GLN 139 Ca -0.06 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.21 1lkj h GLN 139 Cb 0.43 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1lkj h GLN 139 CO 0.09 0.99 0.06 0.35 -0.67 0.00 0.00 178.83 179.64 1lkj h PHE 140 N 0.59 1.08 -0.77 2.96 3.57 -1.50 -1.99 116.94 120.87 1lkj h PHE 140 Ca 0.08 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1lkj h PHE 140 Cb 0.77 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1lkj h PHE 140 CO 0.06 0.94 0.42 0.00 -2.23 0.00 0.00 178.31 177.50 1lkj h ALA 141 N 1.00 1.28 -0.38 2.41 0.00 0.57 -2.44 119.26 121.70 1lkj h ALA 141 Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1lkj h ALA 141 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1lkj h ALA 141 CO 0.02 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.47 1lkj h ALA 142 N 1.38 0.60 -0.46 0.00 0.00 -1.20 -1.93 119.26 117.66 1lkj h ALA 142 Ca 0.27 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1lkj h ALA 142 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1lkj h ALA 142 CO -0.04 0.68 0.27 -0.07 0.00 0.00 0.00 179.25 180.09 1lkj h LEU 143 N 0.75 0.54 0.06 0.00 3.38 -0.95 0.59 115.31 119.69 1lkj h LEU 143 Ca 0.06 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1lkj h LEU 143 Cb 0.97 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1lkj h LEU 143 CO 0.09 0.42 -1.14 -0.07 0.09 0.00 0.00 178.44 177.83 1lkj h LEU 144 N 0.63 0.29 0.00 1.67 3.38 -1.30 -3.42 115.31 116.55 1lkj h LEU 144 Ca 0.17 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1lkj h LEU 144 Cb -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1lkj h LEU 144 CO -0.03 1.23 0.00 -1.54 0.09 0.00 0.00 178.44 178.19 1lkj n SER 145 N -3.49 0.00 -0.49 -0.43 3.41 -0.74 -5.11 113.62 106.78 1lkj n SER 145 Ca -0.06 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 1lkj n SER 145 Cb 0.98 -0.27 0.52 0.00 -0.26 0.00 0.00 64.21 65.18 1lkj n SER 145 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17