#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkj n SER 2 N 0.00 -0.12 -3.99 1.61 7.64 -1.26 -5.11 113.62 112.39 1rkj n SER 2 Ca 0.00 -2.35 -0.16 0.00 1.01 0.00 0.00 58.87 57.37 1rkj n SER 2 Cb 0.00 0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 1rkj n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1rkj s HIS 3 N -1.62 0.58 0.00 1.43 3.76 -1.26 -5.00 115.29 113.18 1rkj s HIS 3 Ca 0.21 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1rkj s HIS 3 Cb 0.41 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.73 1rkj s HIS 3 CO -0.06 -0.02 0.00 -0.12 -0.85 0.00 0.00 174.74 173.69 1rkj n MET 4 N 2.65 0.00 -4.16 1.40 0.00 -1.26 -5.14 117.12 110.61 1rkj n MET 4 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.23 1rkj n MET 4 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.72 1rkj n MET 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1rkj s VAL 5 N -0.87 4.47 0.00 1.12 1.01 -1.26 -5.07 120.40 119.80 1rkj s VAL 5 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1rkj s VAL 5 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1rkj s VAL 5 CO 0.00 0.31 0.25 -0.62 0.00 0.00 0.00 175.10 175.04 1rkj n GLU 6 N 1.12 0.00 0.00 2.72 -0.58 -1.26 -5.04 120.64 117.60 1rkj n GLU 6 Ca -0.13 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1rkj n GLU 6 Cb 0.52 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 1rkj n GLU 6 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rkj n GLY 7 N 1.25 0.75 3.08 0.62 0.00 -1.26 -4.99 105.19 104.65 1rkj n GLY 7 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1rkj n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rkj n SER 8 N 0.00 0.66 -4.53 1.61 7.64 -1.26 -4.65 113.62 113.09 1rkj n SER 8 Ca 0.00 0.59 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 1rkj n SER 8 Cb 0.00 -0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 62.26 1rkj n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1rkj n GLU 9 N 7.16 0.57 -3.05 1.43 0.00 -1.26 -3.78 120.64 121.70 1rkj n GLU 9 Ca 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1rkj n GLU 9 Cb -0.03 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 28.75 1rkj n GLU 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1rkj n SER 10 N 13.72 -7.13 0.19 4.31 7.64 -1.26 -4.85 113.62 126.24 1rkj n SER 10 Ca 0.50 0.75 -0.15 0.00 1.01 0.00 0.00 58.87 60.99 1rkj n SER 10 Cb 0.33 -1.52 -0.08 0.00 -1.01 0.00 0.00 64.21 61.94 1rkj n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rkj h THR 11 N 4.51 0.68 0.00 0.44 1.03 -1.97 -3.47 112.91 114.13 1rkj h THR 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1rkj h THR 11 Cb 0.33 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.09 1rkj h THR 11 CO 0.00 0.00 0.00 1.07 -0.01 0.00 0.00 175.52 176.58 1rkj n THR 12 N -5.28 0.00 -0.21 0.00 5.66 -1.26 -5.04 114.28 108.15 1rkj n THR 12 Ca -0.10 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.89 1rkj n THR 12 Cb 0.19 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.03 1rkj n THR 12 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1rkj h PRO 13 N 0.00 -0.02 -5.21 1.09 0.11 -1.92 -3.42 132.00 122.62 1rkj h PRO 13 Ca 0.00 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.35 1rkj h PRO 13 Cb 0.00 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1rkj h PRO 13 CO 0.00 -0.02 0.63 1.19 -0.21 0.00 0.00 178.00 179.60 1rkj n PHE 14 N -5.44 1.50 -3.59 0.65 3.72 -1.26 -4.88 117.46 108.16 1rkj n PHE 14 Ca 0.07 0.98 -0.04 0.00 -0.05 0.00 0.00 57.45 58.41 1rkj n PHE 14 Cb 0.33 -1.94 -0.02 0.00 -0.94 0.00 0.00 39.48 36.91 1rkj n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rkj s ASN 15 N 2.77 -0.16 0.21 4.37 2.20 -1.25 -1.26 114.94 121.82 1rkj s ASN 15 Ca 0.92 -0.02 0.04 0.00 -0.94 0.00 0.00 52.86 52.87 1rkj s ASN 15 Cb -1.30 0.18 -0.05 0.00 -2.00 0.00 0.00 41.25 38.08 1rkj s ASN 15 CO 0.70 -0.29 -0.04 -0.76 -2.94 0.00 0.00 177.10 173.77 1rkj s LEU 16 N -2.29 2.31 -0.32 3.54 1.43 0.12 -4.58 118.68 118.89 1rkj s LEU 16 Ca 0.09 -1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 51.99 1rkj s LEU 16 Cb -0.01 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 45.92 1rkj s LEU 16 CO -0.05 -0.44 0.06 0.12 0.23 0.00 0.00 176.35 176.27 1rkj s PHE 17 N -3.34 3.27 0.10 0.29 2.19 -0.63 -1.94 117.98 117.93 1rkj s PHE 17 Ca 0.25 -1.64 -0.00 0.00 0.33 0.00 0.00 56.93 55.87 1rkj s PHE 17 Cb 0.04 -2.23 -0.04 0.00 -1.31 0.00 0.00 43.02 39.49 1rkj s PHE 17 CO 0.07 -0.77 0.27 0.42 1.83 0.00 0.00 175.22 177.04 1rkj s ILE 18 N 1.33 5.32 -0.06 3.12 1.09 0.15 0.32 121.20 132.48 1rkj s ILE 18 Ca -0.03 -0.37 -0.31 0.00 -1.10 0.00 0.00 60.65 58.84 1rkj s ILE 18 Cb -0.20 -3.66 0.12 0.00 -1.06 0.00 0.00 42.46 37.66 1rkj s ILE 18 CO 0.01 0.05 1.35 -0.83 -0.10 0.00 0.00 174.94 175.42 1rkj s GLY 19 N -2.68 -0.33 0.00 6.18 0.00 -0.34 -1.19 107.32 108.95 1rkj s GLY 19 Ca 0.36 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1rkj s GLY 19 CO 0.28 2.87 0.00 1.16 0.00 0.00 0.00 173.10 177.40 1rkj n ASN 20 N -0.74 0.00 0.00 1.64 6.94 -1.26 -1.58 115.26 120.26 1rkj n ASN 20 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1rkj n ASN 20 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1rkj n ASN 20 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1rkj n LEU 21 N 0.00 0.00 0.00 -4.53 7.99 -1.26 -4.66 117.00 114.54 1rkj n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1rkj n LEU 21 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1rkj n LEU 21 CO 0.00 0.00 0.00 -0.46 -1.51 0.00 0.00 177.39 175.42 1rkj n ASN 22 N 1.04 0.00 0.22 -1.43 6.94 -1.26 -4.75 115.26 116.02 1rkj n ASN 22 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.73 1rkj n ASN 22 Cb 0.00 0.00 0.77 0.00 -2.36 0.00 0.00 39.78 38.19 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1rkj h PRO 23 N 0.00 0.00 -1.21 -0.53 0.11 -2.02 -0.96 132.00 127.40 1rkj h PRO 23 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1rkj h PRO 23 Cb 0.00 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 30.69 1rkj h PRO 23 CO 0.00 0.00 -0.88 -1.71 -0.21 0.00 0.00 178.00 175.20 1rkj n ASN 24 N -3.26 3.80 -2.40 -2.05 2.85 -1.26 -5.08 115.26 107.86 1rkj n ASN 24 Ca 0.02 -3.39 -0.05 0.00 -0.11 0.00 0.00 54.58 51.06 1rkj n ASN 24 Cb 0.50 -0.46 0.04 0.00 1.24 0.00 0.00 39.78 41.10 1rkj n ASN 24 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1rkj n LYS 25 N -0.43 -0.47 0.00 1.20 -0.00 -0.37 -5.11 118.16 112.99 1rkj n LYS 25 Ca 0.31 -0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1rkj n LYS 25 Cb 0.75 -0.24 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 1rkj n LYS 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rkj n SER 26 N -3.18 0.00 -0.04 -5.58 2.88 -1.26 -5.02 113.62 101.42 1rkj n SER 26 Ca 0.03 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.56 1rkj n SER 26 Cb 0.10 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 1rkj n SER 26 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rkj n VAL 27 N 0.00 -0.07 -0.23 2.46 3.14 -1.26 0.28 118.33 122.65 1rkj n VAL 27 Ca 0.00 1.09 -0.02 0.00 -2.96 0.00 0.00 64.34 62.45 1rkj n VAL 27 Cb 0.00 -1.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rkj n ALA 28 N -2.80 -0.16 0.40 1.55 0.00 -1.26 -0.07 120.51 118.18 1rkj n ALA 28 Ca 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 53.44 53.83 1rkj n ALA 28 Cb 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 1rkj n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rkj h GLU 29 N 0.00 -0.97 -0.78 0.00 4.39 -0.58 -2.58 114.58 114.07 1rkj h GLU 29 Ca 0.17 0.07 0.12 0.00 0.34 0.00 0.00 59.36 60.06 1rkj h GLU 29 Cb 0.32 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.07 1rkj h GLU 29 CO -0.57 -0.63 -0.30 1.28 -1.16 0.00 0.00 179.01 177.63 1rkj n LEU 30 N -5.49 -0.50 0.19 1.33 4.77 0.91 0.42 117.00 118.62 1rkj n LEU 30 Ca -0.14 1.35 -0.14 0.00 -0.03 0.00 0.00 56.01 57.05 1rkj n LEU 30 Cb 0.41 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1rkj n LEU 30 CO 0.36 -1.22 0.73 0.11 -1.33 0.00 0.00 177.39 176.05 1rkj h LYS 31 N 0.00 -0.47 0.82 3.23 1.57 -1.25 -2.41 116.57 118.06 1rkj h LYS 31 Ca 0.27 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1rkj h LYS 31 Cb 0.47 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1rkj h LYS 31 CO -0.77 -0.31 -0.40 0.28 -0.57 0.00 0.00 179.45 177.68 1rkj h VAL 32 N -0.48 0.00 -0.88 0.50 2.07 0.19 0.43 116.25 118.07 1rkj h VAL 32 Ca -0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.69 1rkj h VAL 32 Cb 0.42 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.02 1rkj h VAL 32 CO 0.01 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.44 1rkj n ALA 33 N -2.55 0.28 -0.02 1.67 0.00 0.17 0.29 120.51 120.35 1rkj n ALA 33 Ca -0.14 0.96 -0.08 0.00 0.00 0.00 0.00 53.44 54.18 1rkj n ALA 33 Cb 0.44 -0.61 0.08 0.00 0.00 0.00 0.00 19.45 19.36 1rkj n ALA 33 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1rkj h ILE 34 N 0.00 1.30 0.00 0.00 1.08 -1.23 -1.61 117.51 117.05 1rkj h ILE 34 Ca 0.45 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1rkj h ILE 34 Cb 0.77 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1rkj h ILE 34 CO -0.88 0.51 0.00 -0.24 -0.69 0.00 0.00 178.15 176.85 1rkj n SER 35 N -4.02 0.00 -0.35 1.72 2.88 0.83 -1.43 113.62 113.25 1rkj n SER 35 Ca -0.02 0.69 0.25 0.00 -1.33 0.00 0.00 58.87 58.46 1rkj n SER 35 Cb 0.54 -0.27 0.51 0.00 -0.75 0.00 0.00 64.21 64.24 1rkj n SER 35 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1rkj h GLU 36 N 0.00 0.33 0.53 -1.46 5.08 -0.40 0.18 114.58 118.85 1rkj h GLU 36 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1rkj h GLU 36 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1rkj h GLU 36 CO 0.00 0.22 -0.49 1.25 -1.00 0.00 0.00 179.01 178.98 1rkj h LEU 37 N 0.34 -1.34 -2.17 1.33 7.12 -1.26 0.14 115.31 119.48 1rkj h LEU 37 Ca 0.69 0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.79 1rkj h LEU 37 Cb 1.73 0.44 -0.00 0.00 -0.53 0.00 0.00 40.66 42.30 1rkj h LEU 37 CO -0.44 -0.67 -0.05 -0.26 -0.13 0.00 0.00 178.44 176.90 1rkj h PHE 38 N -1.02 0.00 -0.28 1.25 0.04 0.13 -1.91 116.94 115.16 1rkj h PHE 38 Ca -0.07 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.52 1rkj h PHE 38 Cb 0.87 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 1rkj h PHE 38 CO -0.23 0.05 -0.53 0.00 -0.60 0.00 0.00 178.31 176.99 1rkj h ALA 39 N 1.95 0.52 -0.36 2.45 0.00 0.35 -1.61 119.26 122.57 1rkj h ALA 39 Ca -0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1rkj h ALA 39 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rkj h ALA 39 CO 0.01 0.68 -0.34 0.87 0.00 0.00 0.00 179.25 180.47 1rkj h LYS 40 N 0.63 0.86 0.00 0.00 1.79 0.01 -2.55 116.57 117.32 1rkj h LYS 40 Ca 0.02 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1rkj h LYS 40 Cb 1.13 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1rkj h LYS 40 CO 0.12 1.09 0.00 0.09 -1.08 0.00 0.00 179.45 179.67 1rkj n ASN 41 N -4.14 0.00 0.00 0.86 4.13 -0.93 -4.90 115.26 110.28 1rkj n ASN 41 Ca -0.03 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1rkj n ASN 41 Cb 0.51 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1rkj n ASN 41 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1rkj n ASP 42 N -1.35 0.00 0.00 6.41 2.03 -0.61 -4.87 116.55 118.16 1rkj n ASP 42 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1rkj n ASP 42 Cb 0.21 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rkj n LEU 43 N 0.00 0.00 -2.53 -2.67 -0.00 -1.26 -4.08 117.00 106.46 1rkj n LEU 43 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1rkj n LEU 43 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.49 1rkj n LEU 43 CO 0.00 0.00 0.54 0.00 -0.00 0.00 0.00 177.39 177.93 1rkj n ALA 44 N 6.56 0.36 -1.76 1.47 0.00 -1.26 -5.05 120.51 120.83 1rkj n ALA 44 Ca 0.00 -0.84 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 1rkj n ALA 44 Cb 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.57 1rkj n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkj s VAL 45 N 0.12 2.90 0.00 0.00 0.11 -1.26 -0.23 120.40 122.05 1rkj s VAL 45 Ca 0.11 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1rkj s VAL 45 Cb 0.28 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1rkj s VAL 45 CO -0.07 -0.12 0.00 0.52 -3.33 0.00 0.00 175.10 172.10 1rkj n VAL 46 N -1.46 0.00 -3.93 2.04 0.31 0.20 -4.73 118.33 110.76 1rkj n VAL 46 Ca 0.13 0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.59 1rkj n VAL 46 Cb 0.50 -1.19 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 1rkj n VAL 46 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1rkj s ASP 47 N -2.51 -0.13 -0.08 4.52 1.01 -0.85 -4.99 116.67 113.64 1rkj s ASP 47 Ca 0.00 -0.80 -0.01 0.00 0.71 0.00 0.00 52.55 52.45 1rkj s ASP 47 Cb 0.00 0.59 0.03 0.00 1.01 0.00 0.00 42.92 44.54 1rkj s ASP 47 CO 0.00 -1.12 -0.02 0.68 0.21 0.00 0.00 175.17 174.91 1rkj s VAL 48 N -3.97 0.58 0.65 -1.27 -7.23 -1.25 0.42 120.40 108.33 1rkj s VAL 48 Ca 0.18 -0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.38 1rkj s VAL 48 Cb -0.01 -0.69 0.10 0.00 0.56 0.00 0.00 36.38 36.34 1rkj s VAL 48 CO 0.06 0.29 0.90 0.00 -0.31 0.00 0.00 175.10 176.04 1rkj s ARG 49 N 1.87 1.98 0.10 4.82 1.70 0.93 -4.82 118.95 125.52 1rkj s ARG 49 Ca 0.05 -1.29 0.06 0.00 -0.47 0.00 0.00 55.73 54.08 1rkj s ARG 49 Cb -0.12 -2.47 -0.03 0.00 -0.57 0.00 0.00 34.95 31.76 1rkj s ARG 49 CO -0.06 -1.16 -0.14 0.99 -1.08 0.00 0.00 175.30 173.84 1rkj s THR 50 N -2.93 1.27 0.22 4.99 2.01 -1.26 -0.72 115.64 119.22 1rkj s THR 50 Ca 0.64 -1.55 0.02 0.00 0.31 0.00 0.00 61.69 61.11 1rkj s THR 50 Cb -0.06 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1rkj s THR 50 CO 0.42 -0.32 0.03 -0.83 -0.69 0.00 0.00 174.62 173.23 1rkj s GLY 51 N -2.15 1.51 0.00 4.40 0.00 -0.87 -4.89 107.32 105.32 1rkj s GLY 51 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1rkj s GLY 51 CO 0.03 -1.60 0.00 -0.37 0.00 0.00 0.00 173.10 171.16 1rkj n THR 52 N -0.38 0.00 -2.82 0.90 5.66 -1.26 -2.28 114.28 114.11 1rkj n THR 52 Ca -0.04 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.88 1rkj n THR 52 Cb 0.65 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.41 1rkj n THR 52 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1rkj n ASN 53 N 0.00 -1.65 0.00 1.09 5.15 -1.26 -4.12 115.26 114.47 1rkj n ASN 53 Ca 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1rkj n ASN 53 Cb 0.00 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.74 1rkj n ASN 53 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1rkj n ARG 54 N -2.82 0.00 -1.42 1.20 0.63 -1.26 -4.79 116.66 108.20 1rkj n ARG 54 Ca -0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.69 1rkj n ARG 54 Cb 0.51 0.00 -0.21 0.00 0.45 0.00 0.00 32.46 33.21 1rkj n ARG 54 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1rkj n LYS 55 N 1.42 0.00 -3.78 -0.14 0.00 -1.24 -4.65 118.16 109.78 1rkj n LYS 55 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1rkj n LYS 55 Cb 0.00 -1.01 -0.04 0.00 -0.00 0.00 0.00 35.03 33.99 1rkj n LYS 55 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1rkj s PHE 56 N 1.14 3.49 0.12 5.58 -0.71 -0.96 -4.63 117.98 122.00 1rkj s PHE 56 Ca 1.25 0.32 -0.02 0.00 -1.04 0.00 0.00 56.93 57.45 1rkj s PHE 56 Cb -0.86 -1.83 -0.05 0.00 -1.21 0.00 0.00 43.02 39.08 1rkj s PHE 56 CO 0.53 0.45 0.31 0.20 -1.34 0.00 0.00 175.22 175.37 1rkj s GLY 57 N -2.92 2.12 -0.04 1.99 0.00 -0.34 -2.05 107.32 106.08 1rkj s GLY 57 Ca 0.38 -0.74 -0.13 0.00 0.00 0.00 0.00 44.72 44.23 1rkj s GLY 57 CO 0.28 -0.69 0.29 -0.47 0.00 0.00 0.00 173.10 172.51 1rkj s TYR 58 N -1.64 -0.20 0.01 1.90 5.04 0.10 0.33 117.35 122.90 1rkj s TYR 58 Ca 0.38 0.40 -0.03 0.00 -2.44 0.00 0.00 57.07 55.37 1rkj s TYR 58 Cb -0.12 0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.26 1rkj s TYR 58 CO 0.27 -0.30 0.05 0.54 -1.34 0.00 0.00 175.55 174.76 1rkj s VAL 59 N -0.85 0.10 -0.06 3.14 0.11 -0.82 -0.05 120.40 121.97 1rkj s VAL 59 Ca -0.09 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1rkj s VAL 59 Cb -0.05 -0.37 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1rkj s VAL 59 CO 0.03 -0.46 -0.01 1.51 -3.33 0.00 0.00 175.10 172.84 1rkj s ASP 60 N -1.46 1.28 0.52 3.54 1.47 0.17 0.16 116.67 122.35 1rkj s ASP 60 Ca -0.15 -0.09 0.09 0.00 1.18 0.00 0.00 52.55 53.58 1rkj s ASP 60 Cb -0.09 -0.42 0.06 0.00 -0.34 0.00 0.00 42.92 42.14 1rkj s ASP 60 CO -0.00 -0.15 0.71 -0.36 0.68 0.00 0.00 175.17 176.06 1rkj s PHE 61 N 1.59 1.93 -0.24 2.11 0.40 -0.39 0.59 117.98 123.97 1rkj s PHE 61 Ca -0.01 -0.60 0.15 0.00 -0.60 0.00 0.00 56.93 55.87 1rkj s PHE 61 Cb -0.13 -2.28 0.47 0.00 0.51 0.00 0.00 43.02 41.58 1rkj s PHE 61 CO -0.03 -0.90 1.17 -1.91 0.70 0.00 0.00 175.22 174.25 1rkj n GLU 62 N -2.11 2.40 -3.54 0.44 2.13 0.69 -4.48 120.64 116.16 1rkj n GLU 62 Ca 0.13 -3.64 -0.11 0.00 0.66 0.00 0.00 57.16 54.20 1rkj n GLU 62 Cb 0.61 -1.76 -0.04 0.00 0.27 0.00 0.00 31.44 30.51 1rkj n GLU 62 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1rkj s SER 63 N -3.47 -0.43 -0.17 4.31 0.15 -1.26 -4.97 113.70 107.86 1rkj s SER 63 Ca 0.40 0.33 -0.18 0.00 0.70 0.00 0.00 55.95 57.19 1rkj s SER 63 Cb 0.37 0.39 -0.15 0.00 -1.71 0.00 0.00 66.02 64.92 1rkj s SER 63 CO -0.02 -0.50 0.21 0.00 1.20 0.00 0.00 173.24 174.12 1rkj h ALA 64 N 2.45 0.13 -0.84 5.45 0.00 -1.98 -3.15 119.26 121.32 1rkj h ALA 64 Ca -0.22 -0.80 0.08 0.00 0.00 0.00 0.00 54.91 53.97 1rkj h ALA 64 Cb 1.19 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 1rkj h ALA 64 CO 0.33 0.46 0.51 1.49 0.00 0.00 0.00 179.25 182.04 1rkj h GLU 65 N -1.00 0.87 -0.70 0.00 4.57 -2.00 -1.18 114.58 115.14 1rkj h GLU 65 Ca -0.17 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 1rkj h GLU 65 Cb 0.94 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1rkj h GLU 65 CO -0.10 0.58 0.21 -0.44 -1.18 0.00 0.00 179.01 178.08 1rkj h ASP 66 N 0.90 1.01 0.21 1.04 3.32 -1.97 -0.79 116.42 120.14 1rkj h ASP 66 Ca 0.38 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.26 1rkj h ASP 66 Cb 0.25 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1rkj h ASP 66 CO -0.20 0.94 -0.30 0.25 -1.72 0.00 0.00 179.24 178.21 1rkj h LEU 67 N 1.04 -0.84 -0.47 1.55 6.46 -1.18 0.19 115.31 122.06 1rkj h LEU 67 Ca 0.23 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1rkj h LEU 67 Cb 0.30 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1rkj h LEU 67 CO -0.01 -0.41 0.24 1.05 -0.62 0.00 0.00 178.44 178.69 1rkj h GLU 68 N -0.58 0.66 -0.54 1.25 4.11 -1.33 -2.36 114.58 115.79 1rkj h GLU 68 Ca 0.01 -0.09 0.08 0.00 0.07 0.00 0.00 59.36 59.43 1rkj h GLU 68 Cb 0.57 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1rkj h GLU 68 CO -0.12 0.55 0.19 -0.22 0.07 0.00 0.00 179.01 179.48 1rkj h LYS 69 N 0.61 0.35 0.27 1.06 1.63 -0.79 -2.05 116.57 117.65 1rkj h LYS 69 Ca 0.16 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1rkj h LYS 69 Cb 0.09 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1rkj h LYS 69 CO -0.02 0.23 -0.17 0.00 -3.45 0.00 0.00 179.45 176.04 1rkj h ALA 70 N 1.37 -1.02 -1.32 5.00 0.00 -0.33 -1.50 119.26 121.46 1rkj h ALA 70 Ca 0.26 -0.09 0.47 0.00 0.00 0.00 0.00 54.91 55.56 1rkj h ALA 70 Cb 0.31 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 1rkj h ALA 70 CO -0.27 -1.00 0.83 -0.11 0.00 0.00 0.00 179.25 178.69 1rkj n LEU 71 N -3.32 0.24 -0.01 0.00 7.94 -0.91 0.26 117.00 121.19 1rkj n LEU 71 Ca -0.05 1.45 -0.08 0.00 -1.11 0.00 0.00 56.01 56.22 1rkj n LEU 71 Cb 0.17 -0.71 0.09 0.00 0.53 0.00 0.00 43.42 43.50 1rkj n LEU 71 CO 0.12 -1.58 0.56 -0.08 -1.11 0.00 0.00 177.39 175.29 1rkj h GLU 72 N 0.00 0.58 0.00 1.96 4.81 -0.89 -3.44 114.58 117.60 1rkj h GLU 72 Ca 0.88 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1rkj h GLU 72 Cb 2.75 0.01 0.00 0.00 0.63 0.00 0.00 28.75 32.15 1rkj h GLU 72 CO -0.53 0.91 0.00 1.28 -0.73 0.00 0.00 179.01 179.94 1rkj n LEU 73 N -4.01 0.00 0.00 1.64 4.77 0.71 -5.02 117.00 115.09 1rkj n LEU 73 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1rkj n LEU 73 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1rkj n LEU 73 CO 0.46 -0.89 0.00 0.41 -1.33 0.00 0.00 177.39 176.04 1rkj n THR 74 N -1.61 0.00 -1.53 -5.08 -1.04 -1.26 -5.05 114.28 98.71 1rkj n THR 74 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1rkj n THR 74 Cb 0.00 -0.03 -0.12 0.00 -1.82 0.00 0.00 70.33 68.36 1rkj n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rkj n GLY 75 N -1.23 -0.25 0.00 3.41 0.00 -1.26 -4.51 105.19 101.34 1rkj n GLY 75 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1rkj n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rkj n LEU 76 N 12.79 0.00 -1.83 0.99 7.94 -1.26 -4.99 117.00 130.64 1rkj n LEU 76 Ca 0.55 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1rkj n LEU 76 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 1rkj n LEU 76 CO 0.81 0.00 -0.29 2.29 -1.11 0.00 0.00 177.39 179.09 1rkj n LYS 77 N 0.00 -3.32 0.13 1.96 2.85 -1.26 -4.71 118.16 113.81 1rkj n LYS 77 Ca 0.00 2.36 0.12 0.00 -1.05 0.00 0.00 58.31 59.74 1rkj n LYS 77 Cb 0.00 -2.77 0.63 0.00 -0.65 0.00 0.00 35.03 32.23 1rkj n LYS 77 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1rkj h VAL 78 N 3.48 0.92 0.00 0.58 -1.51 -1.87 -3.42 116.25 114.43 1rkj h VAL 78 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1rkj h VAL 78 Cb 0.00 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1rkj h VAL 78 CO 0.00 0.01 0.00 0.49 -1.23 0.00 0.00 177.57 176.84 1rkj n PHE 79 N -4.48 -0.22 -2.63 5.19 3.01 -1.26 -4.78 117.46 112.29 1rkj n PHE 79 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 1rkj n PHE 79 Cb 0.27 0.21 0.10 0.00 -0.01 0.00 0.00 39.48 40.04 1rkj n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rkj n GLY 80 N 0.70 1.27 0.86 1.37 0.00 -1.26 -4.96 105.19 103.18 1rkj n GLY 80 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1rkj n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkj n ASN 81 N -1.16 0.02 -1.37 1.61 5.03 -1.26 -5.15 115.26 112.99 1rkj n ASN 81 Ca -0.13 -1.75 0.17 0.00 0.87 0.00 0.00 54.58 53.74 1rkj n ASN 81 Cb 0.78 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 39.42 1rkj n ASN 81 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1rkj n GLU 82 N 0.12 -2.83 -4.15 3.52 2.13 -1.26 -5.01 120.64 113.15 1rkj n GLU 82 Ca -0.05 2.07 -0.16 0.00 0.66 0.00 0.00 57.16 59.69 1rkj n GLU 82 Cb 0.76 -3.44 -0.06 0.00 0.27 0.00 0.00 31.44 28.98 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1rkj s ILE 83 N -3.04 0.00 -0.03 6.31 -4.36 -1.26 -4.59 121.20 114.24 1rkj s ILE 83 Ca 0.00 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 1rkj s ILE 83 Cb 0.00 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.09 1rkj s ILE 83 CO 0.00 0.00 -0.05 -0.54 0.24 0.00 0.00 174.94 174.59 1rkj s LYS 84 N -3.23 2.67 0.48 0.37 1.02 -0.61 -5.02 119.74 115.42 1rkj s LYS 84 Ca 0.34 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.74 1rkj s LYS 84 Cb 0.01 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1rkj s LYS 84 CO 0.22 0.63 0.15 -0.51 -0.92 0.00 0.00 175.35 174.92 1rkj s LEU 85 N -1.21 2.68 0.19 3.17 1.02 -1.26 -1.19 118.68 122.08 1rkj s LEU 85 Ca 0.16 -1.37 -0.23 0.00 0.02 0.00 0.00 54.13 52.71 1rkj s LEU 85 Cb -0.11 -1.06 0.07 0.00 0.02 0.00 0.00 46.19 45.11 1rkj s LEU 85 CO 0.06 -0.79 1.00 -0.70 0.02 0.00 0.00 176.35 175.93 1rkj s GLU 86 N -3.97 1.34 -0.41 1.70 -6.30 0.15 -4.93 118.70 106.29 1rkj s GLU 86 Ca 0.26 -0.82 -0.16 0.00 -2.50 0.00 0.00 54.97 51.74 1rkj s GLU 86 Cb 0.02 0.40 0.02 0.00 0.00 0.00 0.00 34.13 34.57 1rkj s GLU 86 CO 0.14 -0.62 0.37 0.21 0.02 0.00 0.00 175.26 175.39 1rkj s LYS 87 N -2.57 3.12 1.04 4.30 2.20 -1.26 -1.60 119.74 124.97 1rkj s LYS 87 Ca 0.18 -0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 54.81 1rkj s LYS 87 Cb -0.02 -3.95 0.10 0.00 -1.51 0.00 0.00 37.83 32.45 1rkj s LYS 87 CO 0.05 -0.76 -0.05 -2.30 -0.36 0.00 0.00 175.35 171.92 1rkj n PRO 88 N 5.41 -1.70 0.00 4.03 -0.02 -1.26 -4.89 135.00 136.56 1rkj n PRO 88 Ca -0.09 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 1rkj n PRO 88 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1rkj n PRO 88 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1rkj n LYS 89 N -1.30 0.00 -4.54 -0.52 2.85 -1.26 -5.05 118.16 108.35 1rkj n LYS 89 Ca 0.03 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.98 1rkj n LYS 89 Cb 0.51 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.76 1rkj n LYS 89 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1rkj s GLY 90 N -0.18 1.60 0.00 2.58 0.00 -1.26 -5.11 107.32 104.95 1rkj s GLY 90 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1rkj s GLY 90 CO 0.00 -1.19 0.00 0.54 0.00 0.00 0.00 173.10 172.45 1rkj n ARG 91 N 1.27 -2.74 0.00 2.90 5.12 -1.26 -5.15 116.66 116.80 1rkj n ARG 91 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1rkj n ARG 91 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1rkj n ASP 92 N 0.05 0.00 -2.80 0.55 5.68 -1.26 -5.10 116.55 113.66 1rkj n ASP 92 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 1rkj n ASP 92 Cb 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.01 1rkj n ASP 92 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1rkj n SER 93 N 0.00 -2.77 -0.06 -1.12 7.64 -1.26 -4.93 113.62 111.12 1rkj n SER 93 Ca 0.00 -3.15 -0.11 0.00 1.01 0.00 0.00 58.87 56.62 1rkj n SER 93 Cb 0.00 1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 64.74 1rkj n SER 93 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1rkj n LYS 94 N 1.98 0.27 -0.01 1.43 0.00 -1.26 -4.87 118.16 115.69 1rkj n LYS 94 Ca 0.13 0.09 -0.02 0.00 -0.00 0.00 0.00 58.31 58.51 1rkj n LYS 94 Cb 0.60 -1.06 -0.01 0.00 -0.00 0.00 0.00 35.03 34.56 1rkj n LYS 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1rkj n LYS 95 N -3.25 1.09 -0.46 -1.58 5.02 -1.26 -4.66 118.16 113.05 1rkj n LYS 95 Ca -0.22 0.01 0.37 0.00 -2.02 0.00 0.00 58.31 56.45 1rkj n LYS 95 Cb 0.69 -1.06 0.59 0.00 -0.02 0.00 0.00 35.03 35.23 1rkj n LYS 95 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1rkj n VAL 96 N -2.44 -0.11 -1.32 -0.18 0.24 -1.26 -4.78 118.33 108.48 1rkj n VAL 96 Ca -0.05 1.32 0.00 0.00 -2.04 0.00 0.00 64.34 63.57 1rkj n VAL 96 Cb 0.56 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.75 1rkj n VAL 96 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rkj n ARG 97 N -3.94 -0.23 0.00 7.34 1.74 -1.26 -1.32 116.66 118.99 1rkj n ARG 97 Ca 0.34 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1rkj n ARG 97 Cb 1.41 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 32.53 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rkj n ALA 98 N 1.07 0.00 0.00 7.54 0.00 -1.26 -3.70 120.51 124.16 1rkj n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rkj n ALA 98 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1rkj n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rkj n ALA 99 N 0.00 0.00 -2.99 0.00 0.00 -0.44 -3.64 120.51 113.45 1rkj n ALA 99 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1rkj n ALA 99 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1rkj n ALA 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1rkj n ARG 100 N 0.00 0.69 -3.57 0.00 0.00 -1.26 -3.66 116.66 108.86 1rkj n ARG 100 Ca 0.00 -2.50 -0.17 0.00 -0.00 0.00 0.00 57.85 55.18 1rkj n ARG 100 Cb 0.00 -1.37 -0.07 0.00 -0.00 0.00 0.00 32.46 31.02 1rkj n ARG 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1rkj s THR 101 N -0.15 0.00 -0.04 8.89 -1.32 -0.90 -2.40 115.64 119.73 1rkj s THR 101 Ca 0.33 -0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.80 1rkj s THR 101 Cb 0.17 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 70.17 1rkj s THR 101 CO -0.17 -0.02 -0.07 -0.22 -2.21 0.00 0.00 174.62 171.93 1rkj s LEU 102 N -0.77 3.15 0.33 9.08 0.20 -0.76 -0.59 118.68 129.33 1rkj s LEU 102 Ca -0.08 -0.08 0.05 0.00 0.69 0.00 0.00 54.13 54.71 1rkj s LEU 102 Cb -0.02 -1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 43.99 1rkj s LEU 102 CO 0.07 0.33 0.48 -0.22 -0.29 0.00 0.00 176.35 176.72 1rkj s LEU 103 N -1.07 4.00 0.01 -0.68 0.20 0.03 0.43 118.68 121.60 1rkj s LEU 103 Ca 0.14 -0.06 0.04 0.00 0.69 0.00 0.00 54.13 54.95 1rkj s LEU 103 Cb -0.11 -2.84 -0.01 0.00 -0.43 0.00 0.00 46.19 42.79 1rkj s LEU 103 CO 0.04 -0.40 -0.13 0.00 -0.29 0.00 0.00 176.35 175.58 1rkj s ALA 104 N -2.19 1.07 -0.06 5.97 0.00 0.43 -0.54 121.76 126.44 1rkj s ALA 104 Ca 0.43 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1rkj s ALA 104 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1rkj s ALA 104 CO 0.32 0.24 -0.19 0.15 0.00 0.00 0.00 175.76 176.27 1rkj s LYS 105 N -0.56 2.18 0.00 0.00 1.02 0.24 -0.63 119.74 121.98 1rkj s LYS 105 Ca 0.04 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1rkj s LYS 105 Cb -0.06 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1rkj s LYS 105 CO 0.00 0.22 0.00 -1.71 -0.92 0.00 0.00 175.35 172.94 1rkj n ASN 106 N 3.30 -1.57 0.00 2.83 4.05 0.71 0.28 115.26 124.85 1rkj n ASN 106 Ca -0.19 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.84 1rkj n ASN 106 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 1rkj n ASN 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rkj n LEU 107 N -0.20 0.00 -1.94 1.20 -0.00 -1.24 -4.51 117.00 110.31 1rkj n LEU 107 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 1rkj n LEU 107 Cb 0.00 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 43.78 1rkj n LEU 107 CO 0.00 0.00 0.95 -1.54 -0.00 0.00 0.00 177.39 176.80 1rkj n SER 108 N 0.00 5.37 -1.91 1.45 3.41 -1.26 -4.90 113.62 115.78 1rkj n SER 108 Ca 0.00 -3.07 -0.05 0.00 -0.26 0.00 0.00 58.87 55.50 1rkj n SER 108 Cb 0.00 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1rkj n SER 108 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1rkj n PHE 109 N 0.28 -1.34 -1.75 7.33 3.72 -1.26 -4.36 117.46 120.08 1rkj n PHE 109 Ca 0.34 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.73 1rkj n PHE 109 Cb 1.29 -1.64 -0.00 0.00 -0.94 0.00 0.00 39.48 38.18 1rkj n PHE 109 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1rkj n ASN 110 N -0.74 -0.08 -4.66 4.37 4.13 -1.26 -5.10 115.26 111.93 1rkj n ASN 110 Ca -0.05 -0.35 -0.42 0.00 1.68 0.00 0.00 54.58 55.44 1rkj n ASN 110 Cb 0.38 0.03 -0.04 0.00 -1.54 0.00 0.00 39.78 38.61 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1rkj s ILE 111 N 0.00 4.82 0.17 2.41 -1.09 -1.26 -5.03 121.20 121.22 1rkj s ILE 111 Ca 0.00 1.71 -0.25 0.00 -2.23 0.00 0.00 60.65 59.88 1rkj s ILE 111 Cb 0.01 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.63 1rkj s ILE 111 CO -0.00 -0.06 0.77 0.42 -1.23 0.00 0.00 174.94 174.84 1rkj s THR 112 N 2.66 4.39 0.23 2.92 -4.23 -1.26 -4.88 115.64 115.47 1rkj s THR 112 Ca 0.38 1.65 0.17 0.00 -1.18 0.00 0.00 61.69 62.72 1rkj s THR 112 Cb -0.16 -4.10 0.26 0.00 1.34 0.00 0.00 72.50 69.84 1rkj s THR 112 CO 0.09 0.48 0.82 -0.62 -0.54 0.00 0.00 174.62 174.86 1rkj n GLU 113 N 1.48 -0.02 -0.39 3.99 4.71 -1.26 0.34 120.64 129.48 1rkj n GLU 113 Ca -0.05 0.67 -0.05 0.00 -0.01 0.00 0.00 57.16 57.71 1rkj n GLU 113 Cb 0.49 -1.30 -0.02 0.00 -1.01 0.00 0.00 31.44 29.60 1rkj n GLU 113 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1rkj n ASP 114 N -3.75 -0.82 -0.07 1.62 9.92 -1.26 0.29 116.55 122.48 1rkj n ASP 114 Ca 0.21 1.73 -0.13 0.00 -0.53 0.00 0.00 54.79 56.07 1rkj n ASP 114 Cb 0.82 -0.32 -0.06 0.00 -0.64 0.00 0.00 41.12 40.92 1rkj n ASP 114 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1rkj h GLU 115 N 0.00 0.49 0.00 -1.24 3.07 -0.49 -1.10 114.58 115.32 1rkj h GLU 115 Ca 0.26 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1rkj h GLU 115 Cb 0.51 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1rkj h GLU 115 CO -0.95 0.85 0.00 -0.11 -1.40 0.00 0.00 179.01 177.39 1rkj n LEU 116 N -4.43 0.00 -0.23 1.33 7.94 0.51 -0.96 117.00 121.17 1rkj n LEU 116 Ca -0.05 0.74 0.20 0.00 -1.11 0.00 0.00 56.01 55.78 1rkj n LEU 116 Cb 0.41 -0.24 0.53 0.00 0.53 0.00 0.00 43.42 44.66 1rkj n LEU 116 CO 0.42 -0.24 1.22 0.50 -1.11 0.00 0.00 177.39 178.18 1rkj h LYS 117 N 0.00 0.36 -0.48 1.96 3.64 -0.30 0.48 116.57 122.22 1rkj h LYS 117 Ca 0.00 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1rkj h LYS 117 Cb 0.00 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1rkj h LYS 117 CO 0.00 0.24 0.34 1.49 -2.27 0.00 0.00 179.45 179.25 1rkj h GLU 118 N 0.37 0.09 0.00 1.90 4.81 -0.44 0.13 114.58 121.44 1rkj h GLU 118 Ca 0.46 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.52 1rkj h GLU 118 Cb 1.20 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1rkj h GLU 118 CO -0.16 0.06 -1.26 -0.24 -0.73 0.00 0.00 179.01 176.68 1rkj h VAL 119 N 0.09 0.59 -3.45 0.32 3.04 0.18 -3.43 116.25 113.59 1rkj h VAL 119 Ca 0.23 -2.08 -0.61 0.00 -1.01 0.00 0.00 66.70 63.23 1rkj h VAL 119 Cb 0.79 2.12 -0.40 0.00 -2.01 0.00 0.00 31.29 31.80 1rkj h VAL 119 CO -0.02 0.34 -0.75 -0.36 -1.01 0.00 0.00 177.57 175.76 1rkj s PHE 120 N -2.92 2.51 -0.06 3.17 0.08 0.45 -4.90 117.98 116.32 1rkj s PHE 120 Ca -0.02 -2.11 -0.04 0.00 0.12 0.00 0.00 56.93 54.89 1rkj s PHE 120 Cb 0.09 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1rkj s PHE 120 CO 0.80 -0.86 0.19 0.93 -0.10 0.00 0.00 175.22 176.17 1rkj h GLU 121 N 7.91 -0.13 -1.21 0.44 5.08 -1.82 -3.29 114.58 121.56 1rkj h GLU 121 Ca -0.12 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 58.60 1rkj h GLU 121 Cb 1.03 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1rkj h GLU 121 CO 0.47 -0.09 1.15 -0.44 -1.00 0.00 0.00 179.01 179.11 1rkj h ASP 122 N -0.77 0.00 0.00 1.42 5.19 -1.95 -3.41 116.42 116.90 1rkj h ASP 122 Ca -0.01 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.82 1rkj h ASP 122 Cb 0.10 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1rkj h ASP 122 CO 0.02 0.00 0.99 0.00 -3.12 0.00 0.00 179.24 177.14 1rkj n ALA 123 N -2.46 0.17 -0.57 3.45 0.00 -1.24 -4.77 120.51 115.09 1rkj n ALA 123 Ca 0.27 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.94 1rkj n ALA 123 Cb 1.53 -1.56 0.32 0.00 0.00 0.00 0.00 19.45 19.73 1rkj n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rkj n LEU 124 N 5.65 4.34 -3.15 0.00 4.77 -1.12 -4.83 117.00 122.65 1rkj n LEU 124 Ca 0.41 -2.38 0.06 0.00 -0.03 0.00 0.00 56.01 54.07 1rkj n LEU 124 Cb -0.03 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1rkj n LEU 124 CO 0.66 0.81 0.68 -0.70 -1.33 0.00 0.00 177.39 177.51 1rkj s GLU 125 N -1.71 0.07 0.34 3.23 2.12 0.19 -4.75 118.70 118.19 1rkj s GLU 125 Ca 0.46 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.95 1rkj s GLU 125 Cb 0.29 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 1rkj s GLU 125 CO 0.23 -0.10 0.50 0.42 -0.54 0.00 0.00 175.26 175.77 1rkj s ILE 126 N 2.98 4.39 -0.15 -3.70 1.01 -1.26 0.65 121.20 125.12 1rkj s ILE 126 Ca 0.03 -0.84 -0.34 0.00 0.00 0.00 0.00 60.65 59.50 1rkj s ILE 126 Cb -0.07 -3.56 0.14 0.00 0.01 0.00 0.00 42.46 38.99 1rkj s ILE 126 CO -0.12 -0.27 1.35 -0.13 0.00 0.00 0.00 174.94 175.78 1rkj s ARG 127 N -4.23 0.15 -0.07 2.79 0.52 0.07 -4.86 118.95 113.32 1rkj s ARG 127 Ca 0.43 -0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.44 1rkj s ARG 127 Cb -0.10 0.06 0.03 0.00 0.52 0.00 0.00 34.95 35.46 1rkj s ARG 127 CO 0.33 -0.07 0.31 -0.48 0.02 0.00 0.00 175.30 175.41 1rkj s LEU 128 N -2.56 0.82 -0.17 2.53 2.34 -1.26 0.33 118.68 120.70 1rkj s LEU 128 Ca 0.13 0.37 -0.03 0.00 0.06 0.00 0.00 54.13 54.66 1rkj s LEU 128 Cb 0.03 1.18 -0.02 0.00 -0.56 0.00 0.00 46.19 46.82 1rkj s LEU 128 CO -0.04 -0.28 -0.07 -0.69 -1.06 0.00 0.00 176.35 174.21 1rkj s VAL 129 N -0.57 3.45 0.00 1.48 1.01 0.24 -4.84 120.40 121.18 1rkj s VAL 129 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1rkj s VAL 129 Cb -0.04 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1rkj s VAL 129 CO 0.02 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 174.06 1rkj n SER 130 N 4.01 0.00 -2.68 3.32 3.41 -1.26 -2.29 113.62 118.13 1rkj n SER 130 Ca -0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.41 1rkj n SER 130 Cb 0.52 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.60 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkj n GLN 131 N 0.00 1.38 0.01 4.33 10.64 -1.26 -4.93 117.38 127.55 1rkj n GLN 131 Ca 0.00 -1.33 0.11 0.00 -1.83 0.00 0.00 57.00 53.95 1rkj n GLN 131 Cb 0.00 0.32 -0.13 0.00 -0.86 0.00 0.00 30.24 29.58 1rkj n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1rkj n ASP 132 N -1.50 0.26 0.00 2.61 9.92 -1.26 -4.98 116.55 121.60 1rkj n ASP 132 Ca -0.17 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 1rkj n ASP 132 Cb 0.88 1.59 0.00 0.00 -0.64 0.00 0.00 41.12 42.95 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rkj n GLY 133 N 1.28 2.19 0.44 0.44 0.00 -1.26 -4.89 105.19 103.39 1rkj n GLY 133 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1rkj n GLY 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rkj n LYS 134 N -0.43 2.35 -0.82 1.61 4.81 -1.26 -5.10 118.16 119.31 1rkj n LYS 134 Ca 0.00 -2.45 0.11 0.00 -0.87 0.00 0.00 58.31 55.10 1rkj n LYS 134 Cb 0.00 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.50 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1rkj n SER 135 N -0.70 -6.98 0.00 3.14 7.64 -1.26 -5.00 113.62 110.46 1rkj n SER 135 Ca 0.15 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1rkj n SER 135 Cb 0.65 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.36 1rkj n SER 135 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1rkj n LYS 136 N -3.16 0.00 -3.69 1.43 4.81 -1.26 -4.83 118.16 111.45 1rkj n LYS 136 Ca 0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 1rkj n LYS 136 Cb 0.38 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.46 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rkj n GLY 137 N 0.00 -0.75 3.17 3.14 0.00 -1.26 -4.32 105.19 105.18 1rkj n GLY 137 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1rkj n GLY 137 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rkj s ILE 138 N -3.58 1.86 -0.16 -0.61 -4.36 -0.97 -0.21 121.20 113.17 1rkj s ILE 138 Ca 0.31 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1rkj s ILE 138 Cb -0.10 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1rkj s ILE 138 CO 0.85 0.52 -0.03 0.00 0.24 0.00 0.00 174.94 176.51 1rkj s ALA 139 N 0.45 3.01 -0.19 2.27 0.00 0.20 0.83 121.76 128.33 1rkj s ALA 139 Ca -0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1rkj s ALA 139 Cb -0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1rkj s ALA 139 CO 0.07 0.14 0.27 -0.47 0.00 0.00 0.00 175.76 175.77 1rkj s TYR 140 N 0.49 3.40 -0.49 0.00 5.04 0.15 0.16 117.35 126.10 1rkj s TYR 140 Ca -0.03 0.49 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1rkj s TYR 140 Cb -0.14 -2.36 0.13 0.00 0.35 0.00 0.00 41.96 39.94 1rkj s TYR 140 CO 0.03 0.13 0.25 0.42 -1.34 0.00 0.00 175.55 175.04 1rkj s ILE 141 N 0.83 2.25 0.16 3.14 1.09 0.17 -0.75 121.20 128.08 1rkj s ILE 141 Ca 0.14 -3.09 -0.08 0.00 -1.10 0.00 0.00 60.65 56.52 1rkj s ILE 141 Cb -0.13 -2.56 -0.06 0.00 -1.06 0.00 0.00 42.46 38.64 1rkj s ILE 141 CO 0.04 -0.82 0.45 -0.70 -0.10 0.00 0.00 174.94 173.81 1rkj s GLU 142 N -0.10 3.72 0.00 2.79 2.12 0.21 -1.82 118.70 125.63 1rkj s GLU 142 Ca 0.17 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1rkj s GLU 142 Cb -0.26 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1rkj s GLU 142 CO 0.00 0.43 0.00 1.19 -0.54 0.00 0.00 175.26 176.34 1rkj n PHE 143 N 0.19 0.00 0.00 5.30 3.01 -1.01 0.57 117.46 125.52 1rkj n PHE 143 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1rkj n PHE 143 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1rkj n PHE 143 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1rkj n LYS 144 N 0.00 2.71 -3.87 -1.08 3.00 -1.26 -4.41 118.16 113.26 1rkj n LYS 144 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1rkj n LYS 144 Cb 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 35.03 34.30 1rkj n LYS 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1rkj s SER 145 N -1.29 -0.01 0.47 3.14 1.04 -1.26 -4.86 113.70 110.93 1rkj s SER 145 Ca 0.00 -0.99 0.14 0.00 0.48 0.00 0.00 55.95 55.59 1rkj s SER 145 Cb 0.00 0.77 1.09 0.00 0.10 0.00 0.00 66.02 67.99 1rkj s SER 145 CO 0.00 -1.50 2.05 1.05 0.98 0.00 0.00 173.24 175.82 1rkj h GLU 146 N 2.03 0.04 0.00 4.02 4.11 -1.84 -3.27 114.58 119.66 1rkj h GLU 146 Ca -0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1rkj h GLU 146 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rkj h GLU 146 CO 0.34 0.13 0.00 0.00 0.07 0.00 0.00 179.01 179.55 1rkj n ALA 147 N -2.52 -0.06 -0.23 1.06 0.00 -1.26 -1.15 120.51 116.34 1rkj n ALA 147 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1rkj n ALA 147 Cb 0.18 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1rkj n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rkj n ASP 148 N -1.39 -0.59 -0.40 0.00 8.00 -1.23 -0.34 116.55 120.60 1rkj n ASP 148 Ca 0.00 1.27 -0.06 0.00 0.71 0.00 0.00 54.79 56.71 1rkj n ASP 148 Cb 0.00 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 1rkj n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkj n ALA 149 N -3.20 -0.36 -0.07 2.24 0.00 -1.14 -0.26 120.51 117.73 1rkj n ALA 149 Ca 0.01 0.93 -0.07 0.00 0.00 0.00 0.00 53.44 54.31 1rkj n ALA 149 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 1rkj n ALA 149 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rkj h GLU 150 N 0.00 -0.02 0.00 0.00 4.81 0.86 0.39 114.58 120.62 1rkj h GLU 150 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1rkj h GLU 150 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1rkj h GLU 150 CO -0.96 -0.01 0.00 1.17 -0.73 0.00 0.00 179.01 178.47 1rkj n LYS 151 N -5.25 0.00 -0.35 1.92 4.81 0.64 -1.99 118.16 117.93 1rkj n LYS 151 Ca -0.01 0.29 0.24 0.00 -0.87 0.00 0.00 58.31 57.96 1rkj n LYS 151 Cb 0.17 -1.15 0.49 0.00 0.02 0.00 0.00 35.03 34.56 1rkj n LYS 151 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1rkj h ASN 152 N 0.00 0.50 0.00 3.14 4.21 -1.18 -1.09 115.58 121.15 1rkj h ASN 152 Ca 0.00 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1rkj h ASN 152 Cb 0.00 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1rkj h ASN 152 CO 0.00 -0.01 0.00 -0.11 -1.29 0.00 0.00 177.43 176.02 1rkj n LEU 153 N -4.82 0.00 0.25 1.61 7.94 0.14 -0.07 117.00 122.05 1rkj n LEU 153 Ca 0.29 0.71 0.15 0.00 -1.11 0.00 0.00 56.01 56.05 1rkj n LEU 153 Cb 0.95 -0.21 0.80 0.00 0.53 0.00 0.00 43.42 45.49 1rkj n LEU 153 CO 0.18 -0.21 0.99 -0.08 -1.11 0.00 0.00 177.39 177.16 1rkj h GLU 154 N 0.00 0.00 0.00 1.96 4.81 -1.03 0.31 114.58 120.63 1rkj h GLU 154 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rkj h GLU 154 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1rkj h GLU 154 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.37 1rkj n GLU 155 N -2.59 0.00 0.16 1.92 2.13 -0.31 -4.06 120.64 117.89 1rkj n GLU 155 Ca -0.02 0.14 0.13 0.00 0.66 0.00 0.00 57.16 58.07 1rkj n GLU 155 Cb 0.14 -0.79 0.56 0.00 0.27 0.00 0.00 31.44 31.62 1rkj n GLU 155 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1rkj h LYS 156 N 0.00 0.00 -3.57 5.31 6.56 -0.44 -3.44 116.57 120.98 1rkj h LYS 156 Ca 0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.31 1rkj h LYS 156 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.58 1rkj h LYS 156 CO 0.00 0.00 1.40 0.94 -2.06 0.00 0.00 179.45 179.73 1rkj n GLN 157 N -2.36 0.00 0.00 3.15 7.27 0.11 0.12 117.38 125.66 1rkj n GLN 157 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1rkj n GLN 157 Cb 0.19 -0.81 0.00 0.00 2.41 0.00 0.00 30.24 32.03 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rkj n GLY 158 N 4.13 1.82 3.61 1.69 0.00 -1.26 -5.01 105.19 110.17 1rkj n GLY 158 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj s ALA 159 N -2.00 3.53 -1.25 4.61 0.00 0.32 -4.82 121.76 122.16 1rkj s ALA 159 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1rkj s ALA 159 Cb 0.00 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 19.94 1rkj s ALA 159 CO 0.00 -1.20 1.57 -1.21 0.00 0.00 0.00 175.76 174.92 1rkj s GLU 160 N 2.96 4.05 -0.51 0.00 8.01 -1.26 -2.02 118.70 129.93 1rkj s GLU 160 Ca 0.33 -2.33 -0.03 0.00 0.01 0.00 0.00 54.97 52.94 1rkj s GLU 160 Cb -0.14 -5.27 -0.03 0.00 -4.31 0.00 0.00 34.13 24.37 1rkj s GLU 160 CO 0.12 -1.98 1.61 -0.89 0.01 0.00 0.00 175.26 174.13 1rkj n ILE 161 N 5.40 1.34 0.00 -1.63 -0.00 -1.26 -1.49 119.36 121.72 1rkj n ILE 161 Ca 0.42 -0.80 0.00 0.00 -0.00 0.00 0.00 62.75 62.37 1rkj n ILE 161 Cb 0.44 -1.85 0.00 0.00 -0.00 0.00 0.00 39.64 38.23 1rkj n ILE 161 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1rkj n ASP 162 N 4.59 0.00 0.00 4.38 5.68 -1.26 -4.78 116.55 125.16 1rkj n ASP 162 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1rkj n ASP 162 Cb 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rkj n GLY 163 N 0.00 0.98 0.00 6.12 0.00 -0.56 -5.03 105.19 106.71 1rkj n GLY 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rkj n GLY 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 164 N 0.00 -0.29 -3.01 1.61 3.00 -1.26 -5.05 116.66 111.66 1rkj n ARG 164 Ca 0.00 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.85 57.62 1rkj n ARG 164 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 32.46 31.79 1rkj n ARG 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1rkj n SER 165 N -0.01 -7.17 -4.76 6.15 2.88 -1.26 -4.90 113.62 104.55 1rkj n SER 165 Ca 0.00 0.77 -0.35 0.00 -1.33 0.00 0.00 58.87 57.96 1rkj n SER 165 Cb 0.15 -3.40 0.03 0.00 -0.75 0.00 0.00 64.21 60.24 1rkj n SER 165 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rkj s VAL 166 N -1.44 2.83 -0.57 2.46 0.11 -0.86 -4.92 120.40 118.02 1rkj s VAL 166 Ca 0.06 0.48 -0.16 0.00 -2.93 0.00 0.00 61.98 59.43 1rkj s VAL 166 Cb -0.01 -3.13 0.13 0.00 -1.53 0.00 0.00 36.38 31.84 1rkj s VAL 166 CO 0.46 -0.15 0.56 -0.44 -3.33 0.00 0.00 175.10 172.21 1rkj s SER 167 N -1.85 6.23 -0.52 3.54 0.01 0.14 -4.27 113.70 116.99 1rkj s SER 167 Ca 0.74 -1.79 -0.17 0.00 1.31 0.00 0.00 55.95 56.04 1rkj s SER 167 Cb -0.27 -2.23 0.09 0.00 0.21 0.00 0.00 66.02 63.82 1rkj s SER 167 CO 0.34 -0.89 0.52 -1.48 0.41 0.00 0.00 173.24 172.14 1rkj s LEU 168 N 1.72 5.57 0.37 2.44 2.34 -1.26 0.79 118.68 130.65 1rkj s LEU 168 Ca 0.06 -1.36 0.08 0.00 0.06 0.00 0.00 54.13 52.96 1rkj s LEU 168 Cb -0.27 -2.27 -0.02 0.00 -0.56 0.00 0.00 46.19 43.07 1rkj s LEU 168 CO 0.03 -0.83 0.35 -0.31 -1.06 0.00 0.00 176.35 174.52 1rkj s TYR 169 N 2.02 2.83 0.19 3.48 1.51 0.30 -4.94 117.35 122.74 1rkj s TYR 169 Ca 0.07 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1rkj s TYR 169 Cb -0.24 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1rkj s TYR 169 CO 0.07 0.03 0.37 1.52 -1.11 0.00 0.00 175.55 176.43 1rkj s TYR 170 N -2.37 3.48 -0.03 2.71 -0.85 -1.26 -0.79 117.35 118.25 1rkj s TYR 170 Ca 0.45 0.32 -0.14 0.00 -0.52 0.00 0.00 57.07 57.18 1rkj s TYR 170 Cb -0.05 -1.84 0.02 0.00 0.38 0.00 0.00 41.96 40.48 1rkj s TYR 170 CO 0.28 0.41 0.30 0.95 -1.52 0.00 0.00 175.55 175.96 1rkj s THR 171 N -1.83 0.05 0.00 -3.49 -4.23 0.24 -4.71 115.64 101.67 1rkj s THR 171 Ca 0.38 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1rkj s THR 171 Cb -0.11 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1rkj s THR 171 CO 0.29 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1rkj n GLY 172 N 1.51 2.73 2.90 3.99 0.00 -1.24 -2.11 105.19 112.97 1rkj n GLY 172 Ca -0.20 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1rkj n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rkj s GLU 173 N 0.00 1.05 0.05 1.61 0.41 -1.24 -4.29 118.70 116.28 1rkj s GLU 173 Ca 0.00 -0.15 -0.16 0.00 -0.41 0.00 0.00 54.97 54.25 1rkj s GLU 173 Cb 0.00 -1.06 -0.28 0.00 -1.78 0.00 0.00 34.13 31.01 1rkj s GLU 173 CO 0.00 -0.12 1.10 -0.22 -0.49 0.00 0.00 175.26 175.53 1rkj h LYS 174 N 7.44 0.60 0.00 1.61 1.63 -1.95 -3.49 116.57 122.42 1rkj h LYS 174 Ca -0.33 -0.78 0.00 0.00 -0.85 0.00 0.00 60.65 58.70 1rkj h LYS 174 Cb 1.15 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1rkj h LYS 174 CO 0.43 1.35 0.00 0.41 -3.45 0.00 0.00 179.45 178.19