#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 0.98 -2.17 1.61 7.64 -1.26 -5.04 113.62 115.38 1rkj n SER 2 Ca 0.00 -1.90 -0.21 0.00 1.01 0.00 0.00 58.87 57.77 1rkj n SER 2 Cb 0.00 -0.66 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1rkj n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rkj n HIS 3 N -2.92 2.60 -1.97 1.43 1.44 -1.26 -4.67 115.22 109.87 1rkj n HIS 3 Ca 0.15 -2.29 0.04 0.00 -2.01 0.00 0.00 57.72 53.61 1rkj n HIS 3 Cb 0.53 -0.31 0.06 0.00 0.12 0.00 0.00 29.99 30.40 1rkj n HIS 3 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1rkj n MET 4 N -0.67 0.47 -2.71 -1.40 2.81 -1.26 -5.09 117.12 109.27 1rkj n MET 4 Ca 0.39 -2.00 -0.05 0.00 -1.81 0.00 0.00 57.70 54.22 1rkj n MET 4 Cb 0.92 -0.66 0.02 0.00 -0.71 0.00 0.00 33.22 32.79 1rkj n MET 4 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1rkj n VAL 5 N -0.23 0.00 -0.13 2.03 0.24 -1.26 -5.05 118.33 113.93 1rkj n VAL 5 Ca 0.08 -0.55 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 1rkj n VAL 5 Cb 0.85 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 1rkj n VAL 5 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1rkj h GLU 6 N 0.00 0.67 0.00 7.34 5.08 -1.98 -3.45 114.58 122.24 1rkj h GLU 6 Ca -0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1rkj h GLU 6 Cb 0.74 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1rkj h GLU 6 CO 0.25 0.78 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 1rkj n GLY 7 N -0.33 -0.74 0.00 -3.84 0.00 -1.26 -5.15 105.19 93.87 1rkj n GLY 7 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1rkj n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rkj n SER 8 N -3.33 0.00 -2.75 1.61 3.41 -1.26 -4.25 113.62 107.05 1rkj n SER 8 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1rkj n SER 8 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1rkj n SER 8 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1rkj n GLU 9 N -0.02 1.06 -2.80 4.33 4.07 -1.26 -5.07 120.64 120.94 1rkj n GLU 9 Ca 0.00 -2.01 0.00 0.00 -0.06 0.00 0.00 57.16 55.09 1rkj n GLU 9 Cb 0.00 -0.87 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1rkj n GLU 9 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1rkj n SER 10 N 0.16 -6.87 -0.20 4.31 7.64 -1.26 -4.77 113.62 112.63 1rkj n SER 10 Ca 0.05 0.83 -0.01 0.00 1.01 0.00 0.00 58.87 60.75 1rkj n SER 10 Cb 0.73 -1.40 0.05 0.00 -1.01 0.00 0.00 64.21 62.59 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 4.68 0.39 -1.72 0.44 1.03 -1.98 -3.44 112.91 112.32 1rkj h THR 11 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.43 1rkj h THR 11 Cb 0.06 0.39 -0.23 0.00 -1.07 0.00 0.00 68.15 67.30 1rkj h THR 11 CO 0.00 0.00 0.39 0.28 -0.01 0.00 0.00 175.52 176.18 1rkj s THR 12 N -6.22 0.00 0.28 0.00 -1.32 -1.26 -5.05 115.64 102.07 1rkj s THR 12 Ca -0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1rkj s THR 12 Cb 0.18 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.46 1rkj s THR 12 CO 0.73 0.00 1.85 -0.65 -2.21 0.00 0.00 174.62 174.34 1rkj h PRO 13 N 3.41 1.02 -3.89 7.08 0.11 -1.91 -3.42 132.00 134.41 1rkj h PRO 13 Ca -0.24 -0.06 -0.32 0.00 0.11 0.00 0.00 66.00 65.49 1rkj h PRO 13 Cb 1.16 -0.23 -0.09 0.00 0.11 0.00 0.00 31.00 31.95 1rkj h PRO 13 CO 0.24 0.68 1.51 1.19 -0.21 0.00 0.00 178.00 181.41 1rkj n PHE 14 N -4.58 0.15 -4.16 0.65 3.72 -1.26 -4.81 117.46 107.17 1rkj n PHE 14 Ca 0.18 0.10 -0.10 0.00 -0.05 0.00 0.00 57.45 57.57 1rkj n PHE 14 Cb 0.30 -0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 37.86 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 2.36 0.25 -0.29 4.37 2.20 -1.26 0.18 114.94 122.76 1rkj s ASN 15 Ca 1.04 -1.26 -0.18 0.00 -0.94 0.00 0.00 52.86 51.52 1rkj s ASN 15 Cb -0.77 0.32 0.15 0.00 -2.00 0.00 0.00 41.25 38.95 1rkj s ASN 15 CO 0.42 -0.77 1.02 -1.48 -2.94 0.00 0.00 177.10 173.36 1rkj s LEU 16 N -3.08 -0.45 -0.25 3.54 2.34 -0.42 -4.72 118.68 115.64 1rkj s LEU 16 Ca 0.29 0.76 -0.08 0.00 0.06 0.00 0.00 54.13 55.15 1rkj s LEU 16 Cb 0.07 1.71 -0.04 0.00 -0.56 0.00 0.00 46.19 47.38 1rkj s LEU 16 CO 0.05 -0.12 0.10 0.72 -1.06 0.00 0.00 176.35 176.04 1rkj s PHE 17 N 1.04 3.14 0.12 3.48 -0.71 0.15 -2.14 117.98 123.06 1rkj s PHE 17 Ca -0.06 -0.22 0.02 0.00 -1.04 0.00 0.00 56.93 55.63 1rkj s PHE 17 Cb -0.04 -2.25 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 1rkj s PHE 17 CO -0.13 -0.24 0.25 0.42 -1.34 0.00 0.00 175.22 174.18 1rkj s ILE 18 N 1.49 5.30 0.17 -4.49 1.09 -0.07 -1.99 121.20 122.70 1rkj s ILE 18 Ca 0.06 -0.61 -0.08 0.00 -1.10 0.00 0.00 60.65 58.92 1rkj s ILE 18 Cb -0.15 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.55 1rkj s ILE 18 CO 0.05 -0.02 0.27 -0.83 -0.10 0.00 0.00 174.94 174.32 1rkj s GLY 19 N -3.00 0.60 -0.63 6.18 0.00 -0.08 -1.90 107.32 108.48 1rkj s GLY 19 Ca 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1rkj s GLY 19 CO 0.28 -0.90 0.00 -2.01 0.00 0.00 0.00 173.10 170.47 1rkj n ASN 20 N -0.23 -4.33 -0.36 1.64 5.15 -1.26 -2.03 115.26 113.85 1rkj n ASN 20 Ca -0.06 0.15 0.34 0.00 -0.60 0.00 0.00 54.58 54.41 1rkj n ASN 20 Cb 0.63 -2.35 0.70 0.00 -0.53 0.00 0.00 39.78 38.23 1rkj n ASN 20 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rkj h LEU 21 N 0.00 0.11 -7.00 1.20 4.07 -1.89 -3.43 115.31 108.37 1rkj h LEU 21 Ca -0.12 0.03 0.09 0.00 0.08 0.00 0.00 57.88 57.96 1rkj h LEU 21 Cb 0.59 0.01 -0.16 0.00 1.08 0.00 0.00 40.66 42.18 1rkj h LEU 21 CO 0.18 0.00 0.48 0.20 -1.08 0.00 0.00 178.44 178.22 1rkj s ASN 22 N -5.05 -0.39 0.24 -0.43 -0.87 -1.26 -4.73 114.94 102.45 1rkj s ASN 22 Ca -0.06 0.08 -0.08 0.00 -1.57 0.00 0.00 52.86 51.24 1rkj s ASN 22 Cb 0.24 0.39 0.40 0.00 -0.02 0.00 0.00 41.25 42.26 1rkj s ASN 22 CO 0.81 -0.60 1.64 -0.65 -2.57 0.00 0.00 177.10 175.73 1rkj h PRO 23 N 2.12 0.10 0.00 -0.60 0.11 -1.97 -3.43 132.00 128.33 1rkj h PRO 23 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1rkj h PRO 23 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rkj h PRO 23 CO 0.31 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.44 1rkj n ASN 24 N -5.34 0.00 0.00 -2.05 0.23 -1.26 -5.10 115.26 101.74 1rkj n ASN 24 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1rkj n ASN 24 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1rkj n ASN 24 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1rkj n LYS 25 N 0.00 0.00 -3.27 -3.83 4.76 -1.26 -4.86 118.16 109.69 1rkj n LYS 25 Ca 0.00 0.14 -0.02 0.00 -2.87 0.00 0.00 58.31 55.56 1rkj n LYS 25 Cb 0.00 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 1rkj n LYS 25 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rkj s SER 26 N -2.08 -0.70 0.10 4.39 0.01 -1.26 -5.05 113.70 109.11 1rkj s SER 26 Ca 0.00 0.67 -0.19 0.00 1.31 0.00 0.00 55.95 57.73 1rkj s SER 26 Cb 0.00 1.74 -0.04 0.00 0.21 0.00 0.00 66.02 67.92 1rkj s SER 26 CO 0.00 -0.27 1.27 0.55 0.41 0.00 0.00 173.24 175.19 1rkj n VAL 27 N 5.40 -0.42 -0.16 3.43 3.14 -1.26 -0.62 118.33 127.85 1rkj n VAL 27 Ca -0.03 1.97 -0.04 0.00 -2.96 0.00 0.00 64.34 63.28 1rkj n VAL 27 Cb 0.51 -2.48 -0.04 0.00 -1.06 0.00 0.00 33.84 30.77 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 -3.18 -0.24 -0.11 1.55 0.00 -1.26 0.11 120.51 117.39 1rkj n ALA 28 Ca 0.01 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1rkj n ALA 28 Cb 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 1rkj n ALA 28 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rkj h GLU 29 N 0.00 -0.28 -0.90 0.00 4.57 -1.29 -1.39 114.58 115.29 1rkj h GLU 29 Ca 0.06 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.35 1rkj h GLU 29 Cb 0.16 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 28.70 1rkj h GLU 29 CO -0.36 -0.18 -0.52 1.28 -1.18 0.00 0.00 179.01 178.06 1rkj n LEU 30 N -5.42 -0.92 -0.21 1.64 4.77 0.31 0.65 117.00 117.83 1rkj n LEU 30 Ca 0.00 1.61 -0.02 0.00 -0.03 0.00 0.00 56.01 57.57 1rkj n LEU 30 Cb 0.34 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1rkj n LEU 30 CO 0.07 -1.32 0.69 0.11 -1.33 0.00 0.00 177.39 175.62 1rkj h LYS 31 N 0.00 -0.07 0.80 3.23 1.57 -0.65 -1.96 116.57 119.49 1rkj h LYS 31 Ca 0.16 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1rkj h LYS 31 Cb 0.39 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1rkj h LYS 31 CO -0.85 -0.05 -0.39 0.28 -0.57 0.00 0.00 179.45 177.87 1rkj h VAL 32 N -0.07 0.00 -0.65 0.50 2.07 0.65 -0.31 116.25 118.44 1rkj h VAL 32 Ca 0.28 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.87 1rkj h VAL 32 Cb 0.51 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 1rkj h VAL 32 CO -0.67 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 176.71 1rkj n ALA 33 N -2.57 0.02 -0.13 1.67 0.00 0.14 0.31 120.51 119.95 1rkj n ALA 33 Ca -0.13 0.68 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1rkj n ALA 33 Cb 0.42 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 1.24 -0.94 0.00 1.08 -1.27 -2.00 117.51 115.63 1rkj h ILE 34 Ca 0.26 -0.86 0.19 0.00 -0.39 0.00 0.00 64.86 64.07 1rkj h ILE 34 Cb 0.43 1.06 -0.11 0.00 -3.07 0.00 0.00 36.82 35.13 1rkj h ILE 34 CO -0.66 0.29 0.52 0.77 -0.69 0.00 0.00 178.15 178.39 1rkj h SER 35 N 0.48 0.62 -0.50 1.72 4.64 0.67 0.67 113.55 121.84 1rkj h SER 35 Ca 0.12 0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 1rkj h SER 35 Cb 0.37 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1rkj h SER 35 CO 0.01 0.19 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.82 1rkj h GLU 36 N 0.64 0.94 0.20 4.77 5.08 0.33 -0.01 114.58 126.52 1rkj h GLU 36 Ca 0.55 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1rkj h GLU 36 Cb 0.90 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1rkj h GLU 36 CO -0.41 0.93 -0.10 1.25 -1.00 0.00 0.00 179.01 179.68 1rkj h LEU 37 N 0.86 -0.23 -1.78 1.33 7.12 0.56 -1.30 115.31 121.88 1rkj h LEU 37 Ca 0.16 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1rkj h LEU 37 Cb 0.52 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1rkj h LEU 37 CO 0.03 0.15 0.00 -0.26 -0.13 0.00 0.00 178.44 178.23 1rkj h PHE 38 N -0.64 0.00 0.00 1.25 0.04 0.14 0.42 116.94 118.15 1rkj h PHE 38 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1rkj h PHE 38 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1rkj h PHE 38 CO 0.04 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.67 1rkj h ALA 39 N 2.05 0.00 0.00 2.45 0.00 -0.76 -3.33 119.26 119.67 1rkj h ALA 39 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rkj h ALA 39 Cb 0.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rkj h ALA 39 CO 0.00 0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1rkj n LYS 40 N -4.53 0.04 0.24 0.00 5.02 -0.51 -2.27 118.16 116.15 1rkj n LYS 40 Ca -0.01 0.27 0.16 0.00 -2.02 0.00 0.00 58.31 56.71 1rkj n LYS 40 Cb 0.04 -1.50 0.78 0.00 -0.02 0.00 0.00 35.03 34.33 1rkj n LYS 40 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1rkj h ASN 41 N 0.00 0.00 0.00 4.39 4.21 -1.02 -3.45 115.58 119.71 1rkj h ASN 41 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1rkj h ASN 41 Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1rkj h ASN 41 CO 0.00 0.00 0.00 -0.67 -1.29 0.00 0.00 177.43 175.47 1rkj n ASP 42 N -2.72 0.00 -2.46 5.81 -0.08 -0.96 -4.99 116.55 111.14 1rkj n ASP 42 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1rkj n ASP 42 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rkj n LEU 43 N 0.00 0.00 -3.58 -2.67 -0.00 -1.26 -5.07 117.00 104.42 1rkj n LEU 43 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1rkj n LEU 43 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1rkj n LEU 43 CO 0.00 -0.35 -0.29 0.00 -0.00 0.00 0.00 177.39 176.75 1rkj s ALA 44 N -3.88 1.45 0.33 1.47 0.00 -1.26 -4.87 121.76 115.00 1rkj s ALA 44 Ca 0.00 -2.11 -0.27 0.00 0.00 0.00 0.00 51.96 49.58 1rkj s ALA 44 Cb 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 23.12 21.28 1rkj s ALA 44 CO 0.00 -2.05 0.98 1.55 0.00 0.00 0.00 175.76 176.24 1rkj n VAL 45 N 3.95 2.08 -0.03 0.00 3.14 -1.26 -4.44 118.33 121.76 1rkj n VAL 45 Ca 0.09 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.93 1rkj n VAL 45 Cb 0.36 -1.01 -0.01 0.00 -1.06 0.00 0.00 33.84 32.12 1rkj n VAL 45 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1rkj n VAL 46 N -0.03 0.84 -4.32 1.55 0.31 -1.16 -4.96 118.33 110.55 1rkj n VAL 46 Ca 0.09 0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 64.36 1rkj n VAL 46 Cb 0.34 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 1rkj n VAL 46 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rkj s ASP 47 N -5.25 5.11 -0.30 4.52 2.15 -0.94 -4.93 116.67 117.02 1rkj s ASP 47 Ca -0.12 0.01 -0.03 0.00 0.43 0.00 0.00 52.55 52.84 1rkj s ASP 47 Cb 0.02 -1.70 0.11 0.00 -0.30 0.00 0.00 42.92 41.05 1rkj s ASP 47 CO 0.18 0.25 0.17 0.68 -0.17 0.00 0.00 175.17 176.28 1rkj s VAL 48 N -0.09 -0.09 0.04 1.11 -7.23 -1.26 -1.45 120.40 111.42 1rkj s VAL 48 Ca 0.04 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1rkj s VAL 48 Cb -0.13 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 1rkj s VAL 48 CO 0.02 -0.73 -0.20 -0.13 -0.31 0.00 0.00 175.10 173.75 1rkj s ARG 49 N 1.96 1.38 0.32 4.82 3.00 0.15 -5.01 118.95 125.58 1rkj s ARG 49 Ca 0.11 -0.92 0.05 0.00 0.00 0.00 0.00 55.73 54.97 1rkj s ARG 49 Cb -0.17 -1.48 -0.03 0.00 0.00 0.00 0.00 34.95 33.27 1rkj s ARG 49 CO -0.30 0.38 0.20 0.99 0.00 0.00 0.00 175.30 176.58 1rkj s THR 50 N -0.78 0.18 0.00 0.02 2.01 -1.26 -0.40 115.64 115.42 1rkj s THR 50 Ca 0.07 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.07 1rkj s THR 50 Cb -0.09 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1rkj s THR 50 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1rkj n GLY 51 N -0.62 0.02 1.96 4.40 0.00 -0.13 -4.84 105.19 105.98 1rkj n GLY 51 Ca 0.03 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 1rkj n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rkj n THR 52 N 0.00 -0.27 0.00 2.61 -1.04 -1.26 -1.61 114.28 112.71 1rkj n THR 52 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rkj n THR 52 Cb 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1rkj n THR 52 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1rkj n ASN 53 N 1.16 0.00 0.00 8.00 2.85 -1.26 -4.85 115.26 121.16 1rkj n ASN 53 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1rkj n ASN 53 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1rkj n ASN 53 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1rkj n ARG 54 N 0.00 1.62 0.00 1.20 0.63 -1.26 -5.00 116.66 113.85 1rkj n ARG 54 Ca 0.00 -0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1rkj n ARG 54 Cb 0.00 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 32.42 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 -0.27 0.00 -4.07 -0.14 0.00 -1.26 -4.52 118.16 107.91 1rkj n LYS 55 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 1rkj n LYS 55 Cb 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.02 1rkj n LYS 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1rkj s PHE 56 N 0.00 3.26 -0.09 5.58 2.19 -0.63 -4.79 117.98 123.50 1rkj s PHE 56 Ca 0.00 0.15 -0.00 0.00 0.33 0.00 0.00 56.93 57.41 1rkj s PHE 56 Cb 0.00 -1.69 -0.03 0.00 -1.31 0.00 0.00 43.02 39.99 1rkj s PHE 56 CO 0.00 0.54 -0.06 0.20 1.83 0.00 0.00 175.22 177.73 1rkj s GLY 57 N -2.07 1.70 -0.17 13.12 0.00 -0.80 -0.96 107.32 118.15 1rkj s GLY 57 Ca 0.26 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 44.05 1rkj s GLY 57 CO 0.18 -0.55 0.35 -0.47 0.00 0.00 0.00 173.10 172.62 1rkj s TYR 58 N -0.59 -0.65 -0.00 1.90 5.04 0.46 -0.89 117.35 122.62 1rkj s TYR 58 Ca 0.09 1.25 -0.07 0.00 -2.44 0.00 0.00 57.07 55.89 1rkj s TYR 58 Cb -0.12 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1rkj s TYR 58 CO 0.02 -0.45 0.15 0.14 -1.34 0.00 0.00 175.55 174.07 1rkj s VAL 59 N 2.53 0.07 0.13 3.14 -7.23 -0.91 0.35 120.40 118.49 1rkj s VAL 59 Ca 0.00 -0.61 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 1rkj s VAL 59 Cb -0.12 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 1rkj s VAL 59 CO -0.11 -0.34 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.43 1rkj s ASP 60 N -1.23 4.30 0.41 4.85 1.01 -0.53 -1.30 116.67 124.18 1rkj s ASP 60 Ca -0.13 -0.48 0.06 0.00 0.71 0.00 0.00 52.55 52.71 1rkj s ASP 60 Cb -0.07 -0.77 0.01 0.00 1.01 0.00 0.00 42.92 43.10 1rkj s ASP 60 CO 0.02 0.15 0.57 -0.36 0.21 0.00 0.00 175.17 175.76 1rkj s PHE 61 N -1.39 2.95 0.10 4.23 0.08 0.13 -2.21 117.98 121.87 1rkj s PHE 61 Ca 0.22 -0.24 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 1rkj s PHE 61 Cb -0.10 -2.30 -0.11 0.00 -0.57 0.00 0.00 43.02 39.94 1rkj s PHE 61 CO 0.14 -0.34 1.36 1.49 -0.10 0.00 0.00 175.22 177.77 1rkj h GLU 62 N 0.63 0.77 0.00 0.44 4.81 -1.89 -3.44 114.58 115.91 1rkj h GLU 62 Ca -0.43 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.29 1rkj h GLU 62 Cb 1.27 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1rkj h GLU 62 CO 0.49 1.14 0.00 0.45 -0.73 0.00 0.00 179.01 180.36 1rkj n SER 63 N -4.09 0.00 -0.48 1.04 2.88 -1.26 -4.92 113.62 106.79 1rkj n SER 63 Ca -0.05 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 57.85 1rkj n SER 63 Cb 0.61 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.62 1rkj n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rkj n ALA 64 N -0.22 1.28 -0.27 -1.46 0.00 -1.26 -0.89 120.51 117.69 1rkj n ALA 64 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1rkj n ALA 64 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1rkj n ALA 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rkj n GLU 65 N -3.29 0.00 -0.32 0.00 4.07 -1.26 0.28 120.64 120.12 1rkj n GLU 65 Ca 0.30 0.40 0.05 0.00 -0.06 0.00 0.00 57.16 57.85 1rkj n GLU 65 Cb 1.36 -1.36 0.24 0.00 -0.06 0.00 0.00 31.44 31.62 1rkj n GLU 65 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rkj h ASP 66 N 0.00 0.92 -0.83 4.31 5.19 -1.41 -1.15 116.42 123.44 1rkj h ASP 66 Ca 0.00 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1rkj h ASP 66 Cb 0.00 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.28 1rkj h ASP 66 CO 0.00 0.57 0.53 0.25 -3.12 0.00 0.00 179.24 177.47 1rkj h LEU 67 N 1.03 0.88 0.02 1.55 6.46 -1.28 0.12 115.31 124.10 1rkj h LEU 67 Ca 0.42 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1rkj h LEU 67 Cb 0.28 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1rkj h LEU 67 CO -0.17 0.61 -0.01 -0.33 -0.62 0.00 0.00 178.44 177.91 1rkj h GLU 68 N 1.04 -0.03 0.13 1.25 4.39 0.11 0.14 114.58 121.60 1rkj h GLU 68 Ca 0.33 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1rkj h GLU 68 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1rkj h GLU 68 CO -0.11 -0.00 -0.06 -0.22 -1.16 0.00 0.00 179.01 177.45 1rkj h LYS 69 N -0.05 -0.16 0.16 2.33 3.64 -1.06 -1.75 116.57 119.67 1rkj h LYS 69 Ca -0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1rkj h LYS 69 Cb 0.04 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1rkj h LYS 69 CO 0.01 -0.06 -0.14 0.00 -2.27 0.00 0.00 179.45 176.99 1rkj h ALA 70 N 0.64 -0.90 -1.18 5.00 0.00 -0.65 -2.09 119.26 120.08 1rkj h ALA 70 Ca -0.02 -0.06 0.42 0.00 0.00 0.00 0.00 54.91 55.25 1rkj h ALA 70 Cb 0.18 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 1rkj h ALA 70 CO 0.03 -0.90 0.71 1.25 0.00 0.00 0.00 179.25 180.34 1rkj h LEU 71 N -0.29 0.31 -0.20 0.00 6.46 -0.77 0.78 115.31 121.60 1rkj h LEU 71 Ca -0.02 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1rkj h LEU 71 Cb 0.25 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1rkj h LEU 71 CO -0.01 -0.26 0.07 -0.33 -0.62 0.00 0.00 178.44 177.29 1rkj h GLU 72 N 0.09 0.16 -6.23 1.25 5.08 -0.67 -3.40 114.58 110.86 1rkj h GLU 72 Ca 0.82 -0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 58.61 1rkj h GLU 72 Cb 2.35 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 31.53 1rkj h GLU 72 CO -0.56 0.10 0.71 -1.17 -1.00 0.00 0.00 179.01 177.09 1rkj s LEU 73 N -10.26 4.23 0.00 1.33 0.20 0.27 -4.97 118.68 109.47 1rkj s LEU 73 Ca -0.13 1.65 0.00 0.00 0.69 0.00 0.00 54.13 56.34 1rkj s LEU 73 Cb 0.09 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.30 1rkj s LEU 73 CO 0.69 -0.59 0.88 0.41 -0.29 0.00 0.00 176.35 177.45 1rkj n THR 74 N 4.83 0.00 0.00 3.68 -1.04 -1.26 -4.78 114.28 115.71 1rkj n THR 74 Ca 0.11 1.37 0.00 0.00 -2.04 0.00 0.00 64.05 63.49 1rkj n THR 74 Cb 0.47 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 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 -0.77 1.31 5.05 3.41 0.00 -1.26 -4.58 105.19 108.35 1rkj n GLY 75 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rkj n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rkj n LEU 76 N 0.00 0.00 -3.33 0.99 7.99 -1.26 -4.79 117.00 116.60 1rkj n LEU 76 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.77 1rkj n LEU 76 Cb 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.17 1rkj n LEU 76 CO 0.00 0.00 1.59 2.29 -1.51 0.00 0.00 177.39 179.76 1rkj n LYS 77 N 0.00 0.00 -2.53 3.23 -0.00 -1.26 -4.82 118.16 112.78 1rkj n LYS 77 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1rkj n LYS 77 Cb 0.00 -0.91 -0.04 0.00 -0.00 0.00 0.00 35.03 34.08 1rkj n LYS 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1rkj s VAL 78 N 3.10 3.71 -0.51 0.58 -7.23 -1.26 -3.22 120.40 115.57 1rkj s VAL 78 Ca 0.99 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 62.39 1rkj s VAL 78 Cb -0.77 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 32.57 1rkj s VAL 78 CO 0.39 -0.07 0.00 0.49 -0.31 0.00 0.00 175.10 175.61 1rkj n PHE 79 N -0.35 -1.29 -3.49 2.82 3.72 -1.26 -2.43 117.46 115.17 1rkj n PHE 79 Ca 0.06 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.22 1rkj n PHE 79 Cb 0.50 -1.70 0.01 0.00 -0.94 0.00 0.00 39.48 37.35 1rkj n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rkj n GLY 80 N -0.39 -0.82 0.17 1.37 0.00 -1.20 -4.92 105.19 99.41 1rkj n GLY 80 Ca -0.06 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1rkj n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rkj n ASN 81 N -1.45 0.08 -1.67 1.61 2.85 -1.02 -5.13 115.26 110.52 1rkj n ASN 81 Ca -0.15 -1.40 0.00 0.00 -0.11 0.00 0.00 54.58 52.92 1rkj n ASN 81 Cb 0.64 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1rkj n ASN 81 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1rkj n GLU 82 N -0.03 -4.57 -4.07 1.20 1.02 -1.26 -4.93 120.64 108.00 1rkj n GLU 82 Ca 0.00 3.48 -0.12 0.00 -0.02 0.00 0.00 57.16 60.50 1rkj n GLU 82 Cb 0.56 -4.14 -0.05 0.00 -0.02 0.00 0.00 31.44 27.79 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1rkj s ILE 83 N -4.61 0.00 -0.06 -3.67 -4.36 -1.26 -4.62 121.20 102.62 1rkj s ILE 83 Ca 0.00 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1rkj s ILE 83 Cb 0.00 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.26 1rkj s ILE 83 CO 0.00 0.00 -0.08 -0.54 0.24 0.00 0.00 174.94 174.56 1rkj s LYS 84 N -3.54 1.24 -0.09 0.37 1.02 -0.86 -5.00 119.74 112.88 1rkj s LYS 84 Ca 0.29 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 56.08 1rkj s LYS 84 Cb 0.01 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.15 1rkj s LYS 84 CO 0.15 -0.07 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.81 1rkj s LEU 85 N 0.97 2.39 0.02 3.17 1.02 -1.26 -0.90 118.68 124.09 1rkj s LEU 85 Ca -0.10 -0.41 -0.26 0.00 0.02 0.00 0.00 54.13 53.38 1rkj s LEU 85 Cb -0.15 -1.49 0.06 0.00 0.02 0.00 0.00 46.19 44.64 1rkj s LEU 85 CO 0.00 0.21 0.59 -0.70 0.02 0.00 0.00 176.35 176.48 1rkj s GLU 86 N 0.04 1.07 -0.38 1.70 2.12 -0.84 -4.99 118.70 117.42 1rkj s GLU 86 Ca -0.07 -0.06 -0.15 0.00 0.36 0.00 0.00 54.97 55.05 1rkj s GLU 86 Cb -0.15 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1rkj s GLU 86 CO 0.05 -0.38 0.32 0.21 -0.54 0.00 0.00 175.26 174.92 1rkj s LYS 87 N -2.06 3.28 0.00 4.30 2.20 -1.26 0.29 119.74 126.49 1rkj s LYS 87 Ca -0.07 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1rkj s LYS 87 Cb -0.01 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1rkj s LYS 87 CO 0.02 -0.62 0.54 -2.30 -0.36 0.00 0.00 175.35 172.62 1rkj n PRO 88 N 5.26 0.00 0.00 4.03 -0.02 -1.26 -4.99 135.00 138.02 1rkj n PRO 88 Ca -0.11 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1rkj n PRO 88 Cb 0.48 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.55 0.00 0.00 -0.52 2.85 -1.26 -5.14 118.16 112.54 1rkj n LYS 89 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1rkj n LYS 89 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rkj n GLY 90 N 0.00 0.76 1.82 2.58 0.00 -1.26 -5.05 105.19 104.04 1rkj n GLY 90 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rkj n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rkj n ARG 91 N 0.00 -4.85 -3.71 1.61 5.12 -1.26 -4.86 116.66 108.70 1rkj n ARG 91 Ca 0.00 3.55 -0.36 0.00 -1.93 0.00 0.00 57.85 59.11 1rkj n ARG 91 Cb 0.00 -3.99 -0.09 0.00 -1.16 0.00 0.00 32.46 27.22 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1rkj s ASP 92 N -2.66 5.30 0.72 0.55 1.11 -1.26 -5.08 116.67 115.35 1rkj s ASP 92 Ca 0.00 -2.99 -0.10 0.00 0.18 0.00 0.00 52.55 49.64 1rkj s ASP 92 Cb 0.00 -1.86 0.03 0.00 1.07 0.00 0.00 42.92 42.17 1rkj s ASP 92 CO 0.00 -0.34 1.09 -0.44 1.18 0.00 0.00 175.17 176.66 1rkj s SER 93 N 0.52 5.18 0.52 0.27 0.01 -1.26 -4.17 113.70 114.78 1rkj s SER 93 Ca 0.18 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1rkj s SER 93 Cb -0.19 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1rkj s SER 93 CO -0.04 -1.46 0.00 0.29 0.41 0.00 0.00 173.24 172.43 1rkj n LYS 94 N -3.02 -3.29 0.00 12.44 4.76 -1.26 -4.66 118.16 123.13 1rkj n LYS 94 Ca 0.07 2.60 0.00 0.00 -2.87 0.00 0.00 58.31 58.11 1rkj n LYS 94 Cb 0.58 -3.49 0.00 0.00 -1.84 0.00 0.00 35.03 30.29 1rkj n LYS 94 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1rkj n LYS 95 N -3.15 0.00 -0.54 1.97 3.00 -1.26 -4.71 118.16 113.47 1rkj n LYS 95 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.19 1rkj n LYS 95 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.56 1rkj n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1rkj n VAL 96 N 0.00 2.02 -1.09 3.15 0.31 -1.26 -4.97 118.33 116.49 1rkj n VAL 96 Ca 0.00 -0.88 -0.37 0.00 -0.01 0.00 0.00 64.34 63.09 1rkj n VAL 96 Cb 0.00 -1.01 0.04 0.00 -0.91 0.00 0.00 33.84 31.96 1rkj n VAL 96 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1rkj n ARG 97 N 0.19 0.01 -1.20 5.55 -4.01 -1.26 -1.01 116.66 114.92 1rkj n ARG 97 Ca 0.21 0.01 -0.08 0.00 -1.04 0.00 0.00 57.85 56.95 1rkj n ARG 97 Cb 0.78 -1.09 -0.03 0.00 -3.04 0.00 0.00 32.46 29.08 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1rkj n ALA 98 N -2.23 -0.12 -1.00 2.89 0.00 -1.21 -4.26 120.51 114.58 1rkj n ALA 98 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1rkj n ALA 98 Cb 0.53 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.06 0.00 -2.08 0.00 0.00 -0.18 -4.57 120.51 113.63 1rkj n ALA 99 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1rkj n ALA 99 Cb 0.26 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 1.58 -4.20 0.00 1.85 -1.25 -4.69 116.66 109.95 1rkj n ARG 100 Ca 0.00 -3.16 -0.13 0.00 -1.00 0.00 0.00 57.85 53.56 1rkj n ARG 100 Cb 0.00 -1.32 -0.10 0.00 -1.05 0.00 0.00 32.46 29.99 1rkj n ARG 100 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1rkj s THR 101 N -2.72 0.96 -0.00 8.89 -1.32 -0.58 -1.90 115.64 118.97 1rkj s THR 101 Ca 0.38 -1.86 0.05 0.00 -1.21 0.00 0.00 61.69 59.05 1rkj s THR 101 Cb 0.38 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.75 1rkj s THR 101 CO -0.07 -0.70 -0.15 -0.22 -2.21 0.00 0.00 174.62 171.27 1rkj s LEU 102 N -2.84 2.05 -0.07 9.08 2.96 0.17 0.37 118.68 130.40 1rkj s LEU 102 Ca 0.11 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1rkj s LEU 102 Cb 0.01 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1rkj s LEU 102 CO -0.01 0.16 0.19 -0.22 -1.32 0.00 0.00 176.35 175.15 1rkj s LEU 103 N -0.47 4.39 -0.22 -0.68 2.96 0.14 0.14 118.68 124.94 1rkj s LEU 103 Ca 0.05 0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 54.40 1rkj s LEU 103 Cb -0.06 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 1rkj s LEU 103 CO -0.00 0.35 0.06 0.00 -1.32 0.00 0.00 176.35 175.44 1rkj s ALA 104 N -1.12 3.22 0.28 5.97 0.00 0.49 0.35 121.76 130.95 1rkj s ALA 104 Ca 0.20 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.29 1rkj s ALA 104 Cb -0.13 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1rkj s ALA 104 CO 0.09 -0.20 -0.16 0.21 0.00 0.00 0.00 175.76 175.70 1rkj s LYS 105 N 1.08 1.65 -0.68 0.00 2.20 0.16 0.06 119.74 124.22 1rkj s LYS 105 Ca 0.04 -1.78 -0.04 0.00 -0.36 0.00 0.00 55.97 53.83 1rkj s LYS 105 Cb -0.14 -1.62 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1rkj s LYS 105 CO 0.03 0.25 0.59 -1.71 -0.36 0.00 0.00 175.35 174.15 1rkj n ASN 106 N -0.62 -4.89 -2.36 1.43 5.15 -1.25 0.15 115.26 112.87 1rkj n ASN 106 Ca -0.05 -0.45 -0.05 0.00 -0.60 0.00 0.00 54.58 53.42 1rkj n ASN 106 Cb 0.61 -3.53 0.03 0.00 -0.53 0.00 0.00 39.78 36.36 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1rkj n LEU 107 N -2.62 0.00 -0.15 1.20 7.94 -1.22 -4.33 117.00 117.82 1rkj n LEU 107 Ca -0.05 -0.28 0.05 0.00 -1.11 0.00 0.00 56.01 54.62 1rkj n LEU 107 Cb 0.58 -0.16 0.07 0.00 0.53 0.00 0.00 43.42 44.44 1rkj n LEU 107 CO 0.38 -0.64 0.45 -0.24 -1.11 0.00 0.00 177.39 176.23 1rkj n SER 108 N -3.10 1.51 -3.17 1.96 2.88 -1.26 -4.98 113.62 107.46 1rkj n SER 108 Ca 0.03 -2.43 -0.17 0.00 -1.33 0.00 0.00 58.87 54.96 1rkj n SER 108 Cb 0.10 -0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1rkj n SER 108 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1rkj n PHE 109 N -0.79 -1.46 0.00 0.66 3.01 -1.26 -4.25 117.46 113.37 1rkj n PHE 109 Ca 0.08 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.81 1rkj n PHE 109 Cb 0.57 -1.25 0.00 0.00 -0.01 0.00 0.00 39.48 38.79 1rkj n PHE 109 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1rkj n ASN 110 N -1.70 0.00 -3.40 4.37 3.02 -1.26 -5.14 115.26 111.16 1rkj n ASN 110 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 1rkj n ASN 110 Cb 0.43 0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1rkj n ILE 111 N -1.73 0.00 -4.24 2.41 2.08 -1.26 -4.99 119.36 111.63 1rkj n ILE 111 Ca 0.00 -0.42 -0.16 0.00 0.56 0.00 0.00 62.75 62.72 1rkj n ILE 111 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.78 1rkj n ILE 111 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1rkj s THR 112 N -1.69 1.26 0.57 1.39 -4.23 -1.26 -5.02 115.64 106.65 1rkj s THR 112 Ca 0.35 -1.84 0.27 0.00 -1.18 0.00 0.00 61.69 59.29 1rkj s THR 112 Cb -0.17 -1.63 0.38 0.00 1.34 0.00 0.00 72.50 72.42 1rkj s THR 112 CO 0.70 -0.54 2.02 -0.33 -0.54 0.00 0.00 174.62 175.92 1rkj h GLU 113 N 3.25 0.00 0.01 3.99 5.08 -1.95 0.52 114.58 125.48 1rkj h GLU 113 Ca -0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1rkj h GLU 113 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rkj h GLU 113 CO 0.55 0.00 -0.01 0.22 -1.00 0.00 0.00 179.01 178.77 1rkj h ASP 114 N 0.00 -0.03 -0.50 1.42 3.58 -1.97 0.39 116.42 119.31 1rkj h ASP 114 Ca 0.17 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 1rkj h ASP 114 Cb 0.82 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1rkj h ASP 114 CO -0.00 -0.01 -0.07 -0.33 -2.88 0.00 0.00 179.24 175.94 1rkj h GLU 115 N -0.02 0.97 0.00 0.28 4.39 -1.89 -1.54 114.58 116.76 1rkj h GLU 115 Ca -0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1rkj h GLU 115 Cb 0.02 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1rkj h GLU 115 CO 0.00 1.00 0.00 -0.11 -1.16 0.00 0.00 179.01 178.74 1rkj n LEU 116 N -4.16 0.00 -0.38 1.33 7.94 0.18 0.06 117.00 121.98 1rkj n LEU 116 Ca 0.02 0.73 0.33 0.00 -1.11 0.00 0.00 56.01 55.98 1rkj n LEU 116 Cb 0.37 -0.23 0.66 0.00 0.53 0.00 0.00 43.42 44.76 1rkj n LEU 116 CO 0.44 -0.23 1.29 0.07 -1.11 0.00 0.00 177.39 177.85 1rkj h LYS 117 N 0.00 0.13 -0.14 1.96 2.10 -0.32 1.53 116.57 121.84 1rkj h LYS 117 Ca 0.00 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 1rkj h LYS 117 Cb 0.00 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 1rkj h LYS 117 CO 0.00 0.09 -0.35 1.49 -2.00 0.00 0.00 179.45 178.68 1rkj h GLU 118 N 0.14 0.28 0.00 0.07 4.81 -1.02 -2.00 114.58 116.86 1rkj h GLU 118 Ca 0.65 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 1rkj h GLU 118 Cb 2.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.58 1rkj h GLU 118 CO -0.17 0.60 -0.12 -0.24 -0.73 0.00 0.00 179.01 178.35 1rkj h VAL 119 N 0.24 0.34 -1.18 0.32 3.04 0.62 -3.44 116.25 116.19 1rkj h VAL 119 Ca 0.03 -0.77 -0.58 0.00 -1.01 0.00 0.00 66.70 64.37 1rkj h VAL 119 Cb 0.74 1.58 -0.08 0.00 -2.01 0.00 0.00 31.29 31.52 1rkj h VAL 119 CO 0.06 0.12 -0.44 -0.36 -1.01 0.00 0.00 177.57 175.93 1rkj s PHE 120 N -3.76 2.28 -1.38 3.17 0.08 -0.76 -4.88 117.98 112.74 1rkj s PHE 120 Ca -0.00 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.27 1rkj s PHE 120 Cb 0.10 -1.92 0.09 0.00 -0.57 0.00 0.00 43.02 40.73 1rkj s PHE 120 CO 0.59 0.01 2.22 0.39 -0.10 0.00 0.00 175.22 178.33 1rkj n GLU 121 N -1.39 3.70 -3.74 0.44 1.02 -1.26 -4.67 120.64 114.74 1rkj n GLU 121 Ca -0.03 -3.14 -0.21 0.00 -0.02 0.00 0.00 57.16 53.76 1rkj n GLU 121 Cb 0.65 -2.92 -0.07 0.00 -0.02 0.00 0.00 31.44 29.08 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rkj n ASP 122 N 3.79 0.62 0.00 1.62 8.00 -1.21 -4.73 116.55 124.64 1rkj n ASP 122 Ca 0.53 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1rkj n ASP 122 Cb 0.32 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkj n ALA 123 N -3.44 0.00 0.00 2.24 0.00 -1.26 -4.86 120.51 113.19 1rkj n ALA 123 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1rkj n ALA 123 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.65 0.00 -4.25 0.00 4.77 -1.17 -4.02 117.00 110.68 1rkj n LEU 124 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1rkj n LEU 124 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1rkj n LEU 124 CO 0.00 0.00 -0.02 -0.70 -1.33 0.00 0.00 177.39 175.34 1rkj s GLU 125 N 0.00 2.61 -0.42 3.23 2.56 -1.00 -4.98 118.70 120.70 1rkj s GLU 125 Ca 0.00 -1.65 -0.16 0.00 0.00 0.00 0.00 54.97 53.16 1rkj s GLU 125 Cb 0.00 -3.95 0.03 0.00 2.00 0.00 0.00 34.13 32.20 1rkj s GLU 125 CO 0.00 -1.14 0.37 0.42 -0.56 0.00 0.00 175.26 174.35 1rkj s ILE 126 N 1.43 5.19 0.30 -3.70 1.01 -1.26 -1.79 121.20 122.37 1rkj s ILE 126 Ca 0.05 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.19 1rkj s ILE 126 Cb -0.26 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1rkj s ILE 126 CO 0.01 -0.40 0.04 -0.13 0.00 0.00 0.00 174.94 174.46 1rkj s ARG 127 N 1.86 2.28 0.04 2.79 0.52 0.93 -5.02 118.95 122.35 1rkj s ARG 127 Ca 0.08 -1.51 0.03 0.00 -0.52 0.00 0.00 55.73 53.81 1rkj s ARG 127 Cb -0.19 -2.13 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 1rkj s ARG 127 CO 0.11 0.26 -0.09 -0.51 0.02 0.00 0.00 175.30 175.08 1rkj s LEU 128 N -3.73 2.24 -0.10 2.53 1.43 -1.26 -2.15 118.68 117.64 1rkj s LEU 128 Ca 0.34 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1rkj s LEU 128 Cb -0.04 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.94 1rkj s LEU 128 CO 0.21 -0.14 -0.06 -0.69 0.23 0.00 0.00 176.35 175.89 1rkj s VAL 129 N -1.23 0.84 0.00 -1.59 1.01 0.12 -4.92 120.40 114.63 1rkj s VAL 129 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1rkj s VAL 129 Cb -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1rkj s VAL 129 CO 0.01 0.33 0.00 -0.24 0.00 0.00 0.00 175.10 175.20 1rkj n SER 130 N 4.89 0.00 -4.77 3.32 2.88 -1.26 -2.13 113.62 116.55 1rkj n SER 130 Ca -0.12 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.04 1rkj n SER 130 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1rkj n SER 130 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1rkj s GLN 131 N 0.00 4.59 0.14 -1.46 -1.52 -1.09 -4.81 119.66 115.51 1rkj s GLN 131 Ca 0.00 1.48 -0.25 0.00 -1.95 0.00 0.00 55.36 54.65 1rkj s GLN 131 Cb 0.00 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.84 1rkj s GLN 131 CO 0.00 0.26 1.62 0.22 -0.25 0.00 0.00 175.29 177.14 1rkj h ASP 132 N 3.41 -0.86 0.48 5.90 3.58 -2.02 0.78 116.42 127.70 1rkj h ASP 132 Ca -0.47 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 1rkj h ASP 132 Cb 1.20 0.38 -0.02 0.00 1.72 0.00 0.00 39.33 42.61 1rkj h ASP 132 CO 0.66 -0.32 -0.57 1.23 -2.88 0.00 0.00 179.24 177.36 1rkj h GLY 133 N -0.34 0.10 -6.10 -0.78 0.00 -2.08 -3.34 103.07 90.53 1rkj h GLY 133 Ca 0.10 -0.12 -0.58 0.00 0.00 0.00 0.00 47.33 46.73 1rkj h GLY 133 CO -0.34 0.11 -0.83 1.17 0.00 0.00 0.00 176.54 176.65 1rkj n LYS 134 N -3.88 1.71 -0.10 4.80 4.81 -0.71 -5.11 118.16 119.67 1rkj n LYS 134 Ca -0.02 -4.01 -0.04 0.00 -0.87 0.00 0.00 58.31 53.37 1rkj n LYS 134 Cb 0.58 -1.78 0.04 0.00 0.02 0.00 0.00 35.03 33.89 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 1.09 -1.63 0.00 3.14 7.64 0.26 -2.67 113.62 121.46 1rkj n SER 135 Ca 0.26 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1rkj n SER 135 Cb 0.47 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1rkj n SER 135 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rkj n LYS 136 N -1.35 0.00 -1.95 1.43 5.02 -1.26 -4.54 118.16 115.51 1rkj n LYS 136 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1rkj n LYS 136 Cb 0.08 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.10 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rkj n GLY 137 N -1.06 0.50 3.60 0.72 0.00 -1.22 -5.02 105.19 102.71 1rkj n GLY 137 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1rkj n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rkj s ILE 138 N -3.04 0.00 0.33 -0.61 1.01 -0.91 -3.40 121.20 114.58 1rkj s ILE 138 Ca 0.02 -1.39 -0.13 0.00 0.00 0.00 0.00 60.65 59.15 1rkj s ILE 138 Cb -0.00 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1rkj s ILE 138 CO 0.08 0.00 0.64 0.00 0.00 0.00 0.00 174.94 175.67 1rkj s ALA 139 N -3.75 -0.40 -0.01 9.38 0.00 0.11 0.10 121.76 127.19 1rkj s ALA 139 Ca 0.23 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1rkj s ALA 139 Cb -0.01 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1rkj s ALA 139 CO 0.11 -0.93 0.03 0.71 0.00 0.00 0.00 175.76 175.68 1rkj s TYR 140 N -3.13 -0.00 -0.10 0.00 2.02 -0.91 -0.38 117.35 114.84 1rkj s TYR 140 Ca 0.19 0.02 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 1rkj s TYR 140 Cb -0.03 -0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.57 1rkj s TYR 140 CO 0.12 -0.04 0.21 0.42 -1.57 0.00 0.00 175.55 174.68 1rkj s ILE 141 N -0.18 -0.32 0.01 2.71 1.09 0.12 -0.05 121.20 124.58 1rkj s ILE 141 Ca -0.02 0.32 -0.09 0.00 -1.10 0.00 0.00 60.65 59.76 1rkj s ILE 141 Cb -0.01 -0.36 -0.05 0.00 -1.06 0.00 0.00 42.46 40.98 1rkj s ILE 141 CO -0.00 0.13 0.30 -1.83 -0.10 0.00 0.00 174.94 173.45 1rkj s GLU 142 N 2.30 3.66 -0.20 2.79 -1.05 -0.74 0.44 118.70 125.90 1rkj s GLU 142 Ca 0.02 0.06 0.01 0.00 -0.15 0.00 0.00 54.97 54.90 1rkj s GLU 142 Cb -0.12 -3.10 0.04 0.00 -0.44 0.00 0.00 34.13 30.52 1rkj s GLU 142 CO -0.07 0.65 -0.09 -0.06 0.95 0.00 0.00 175.26 176.64 1rkj s PHE 143 N -1.25 2.32 -0.99 4.83 0.40 -0.80 -2.36 117.98 120.13 1rkj s PHE 143 Ca 0.26 -1.53 -0.27 0.00 -0.60 0.00 0.00 56.93 54.80 1rkj s PHE 143 Cb -0.14 -1.59 -0.20 0.00 0.51 0.00 0.00 43.02 41.60 1rkj s PHE 143 CO 0.15 -0.73 2.21 0.21 0.70 0.00 0.00 175.22 177.76 1rkj s LYS 144 N 1.43 1.29 0.00 0.44 2.47 -1.26 -4.24 119.74 119.86 1rkj s LYS 144 Ca -0.01 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 1rkj s LYS 144 Cb -0.16 -4.92 0.00 0.00 -1.46 0.00 0.00 37.83 31.29 1rkj s LYS 144 CO -0.08 -5.21 0.00 0.45 0.16 0.00 0.00 175.35 170.67 1rkj n SER 145 N 19.46 0.00 -0.40 1.43 2.88 -1.26 -4.86 113.62 130.87 1rkj n SER 145 Ca 0.43 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 58.32 1rkj n SER 145 Cb 0.46 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.59 1rkj n SER 145 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1rkj h GLU 146 N 0.00 0.12 0.00 -1.46 4.22 -1.81 2.24 114.58 117.89 1rkj h GLU 146 Ca 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.38 1rkj h GLU 146 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1rkj h GLU 146 CO 0.00 0.08 -0.25 0.00 -2.18 0.00 0.00 179.01 176.66 1rkj h ALA 147 N 1.46 0.92 -0.18 2.92 0.00 -1.93 -2.55 119.26 119.91 1rkj h ALA 147 Ca 0.68 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 55.18 1rkj h ALA 147 Cb 2.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.07 1rkj h ALA 147 CO -0.18 0.31 -0.64 -0.44 0.00 0.00 0.00 179.25 178.30 1rkj h ASP 148 N 0.00 0.73 0.04 0.00 3.32 0.34 0.91 116.42 121.76 1rkj h ASP 148 Ca -0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1rkj h ASP 148 Cb 0.94 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1rkj h ASP 148 CO 0.03 1.19 -0.02 0.00 -1.72 0.00 0.00 179.24 178.72 1rkj h ALA 149 N 0.82 -0.05 -0.11 3.45 0.00 -1.41 -2.22 119.26 119.73 1rkj h ALA 149 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1rkj h ALA 149 Cb 1.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1rkj h ALA 149 CO 0.12 -0.17 0.05 1.49 0.00 0.00 0.00 179.25 180.74 1rkj h GLU 150 N -0.76 0.17 0.53 0.00 4.57 -1.53 0.35 114.58 117.91 1rkj h GLU 150 Ca -0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1rkj h GLU 150 Cb 0.66 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1rkj h GLU 150 CO 0.01 0.24 -0.48 -0.22 -1.18 0.00 0.00 179.01 177.38 1rkj h LYS 151 N 0.05 -0.97 0.00 1.92 3.64 -0.92 -1.69 116.57 118.60 1rkj h LYS 151 Ca 0.04 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1rkj h LYS 151 Cb 0.13 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1rkj h LYS 151 CO -0.00 -0.65 -0.08 -0.91 -2.27 0.00 0.00 179.45 175.54 1rkj h ASN 152 N -1.00 0.00 -0.50 4.20 -0.26 -1.40 -0.71 115.58 115.91 1rkj h ASN 152 Ca -0.06 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 1rkj h ASN 152 Cb 0.86 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 1rkj h ASN 152 CO -0.03 0.08 0.17 0.25 -1.06 0.00 0.00 177.43 176.83 1rkj h LEU 153 N 0.00 0.72 0.00 1.61 5.85 0.57 0.22 115.31 124.28 1rkj h LEU 153 Ca -0.00 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1rkj h LEU 153 Cb 0.26 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1rkj h LEU 153 CO 0.01 0.73 -0.88 1.05 -0.34 0.00 0.00 178.44 179.01 1rkj h GLU 154 N 0.68 0.00 0.00 1.25 4.11 -0.94 -2.42 114.58 117.26 1rkj h GLU 154 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1rkj h GLU 154 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1rkj h GLU 154 CO -0.01 0.13 -0.02 1.49 0.07 0.00 0.00 179.01 180.68 1rkj h GLU 155 N 0.00 0.00 0.00 1.06 4.57 -0.97 -3.36 114.58 115.88 1rkj h GLU 155 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1rkj h GLU 155 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1rkj h GLU 155 CO 0.02 0.00 0.00 0.87 -1.18 0.00 0.00 179.01 178.72 1rkj h LYS 156 N -0.33 0.00 -0.95 1.92 6.56 -0.78 -3.44 116.57 119.55 1rkj h LYS 156 Ca 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1rkj h LYS 156 Cb 0.02 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1rkj h LYS 156 CO 0.00 0.00 0.34 0.94 -2.06 0.00 0.00 179.45 178.67 1rkj n GLN 157 N -2.40 0.00 -3.61 3.15 0.00 -0.91 0.27 117.38 113.88 1rkj n GLN 157 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.83 1rkj n GLN 157 Cb 0.33 -0.19 0.06 0.00 0.00 0.00 0.00 30.24 30.43 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rkj n GLY 158 N 1.00 -0.36 0.45 1.69 0.00 -1.09 -4.91 105.19 101.98 1rkj n GLY 158 Ca 0.10 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj h ALA 159 N 0.90 -1.04 0.00 4.61 0.00 0.35 -3.36 119.26 120.73 1rkj h ALA 159 Ca -0.60 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1rkj h ALA 159 Cb 1.35 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1rkj h ALA 159 CO 0.55 -1.11 0.00 -1.91 0.00 0.00 0.00 179.25 176.78 1rkj n GLU 160 N -5.55 0.00 -3.68 0.00 2.13 -1.26 -4.57 120.64 107.71 1rkj n GLU 160 Ca -0.13 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.45 1rkj n GLU 160 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 1rkj n GLU 160 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1rkj n ILE 161 N -2.86 -2.64 -1.31 6.31 -0.00 -1.26 -0.63 119.36 116.98 1rkj n ILE 161 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1rkj n ILE 161 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 39.64 37.30 1rkj n ILE 161 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1rkj n ASP 162 N -2.09 -1.71 -2.77 4.38 -0.08 -1.26 -4.21 116.55 108.80 1rkj n ASP 162 Ca -0.25 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 52.95 1rkj n ASP 162 Cb 0.57 -0.43 -0.02 0.00 2.34 0.00 0.00 41.12 43.58 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rkj n GLY 163 N -1.26 -0.05 0.00 0.27 0.00 -1.21 -4.60 105.19 98.34 1rkj n GLY 163 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.75 0.04 -3.17 1.61 0.63 -0.64 -5.08 116.66 108.29 1rkj n ARG 164 Ca -0.05 -0.36 -0.01 0.00 -0.92 0.00 0.00 57.85 56.51 1rkj n ARG 164 Cb 0.16 -0.51 0.00 0.00 0.45 0.00 0.00 32.46 32.56 1rkj n ARG 164 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1rkj n SER 165 N -0.01 -6.46 -4.10 6.15 2.88 0.20 -4.87 113.62 107.41 1rkj n SER 165 Ca 0.00 0.38 -0.29 0.00 -1.33 0.00 0.00 58.87 57.63 1rkj n SER 165 Cb 0.41 -1.55 0.23 0.00 -0.75 0.00 0.00 64.21 62.55 1rkj n SER 165 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rkj n VAL 166 N 1.25 0.00 -3.65 2.46 3.14 -1.24 -4.78 118.33 115.51 1rkj n VAL 166 Ca -0.00 -0.30 -0.29 0.00 -2.96 0.00 0.00 64.34 60.79 1rkj n VAL 166 Cb 0.50 -0.80 -0.14 0.00 -1.06 0.00 0.00 33.84 32.35 1rkj n VAL 166 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1rkj s SER 167 N -2.25 3.63 0.44 6.55 0.01 0.12 -2.65 113.70 119.55 1rkj s SER 167 Ca 0.60 -2.06 0.07 0.00 1.31 0.00 0.00 55.95 55.88 1rkj s SER 167 Cb -0.16 -0.77 0.02 0.00 0.21 0.00 0.00 66.02 65.31 1rkj s SER 167 CO 0.61 -0.35 0.60 -0.76 0.41 0.00 0.00 173.24 173.76 1rkj s LEU 168 N 1.12 3.59 0.32 2.44 1.43 -1.26 0.40 118.68 126.72 1rkj s LEU 168 Ca 0.14 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1rkj s LEU 168 Cb -0.21 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1rkj s LEU 168 CO -0.12 -0.83 0.57 -0.31 0.23 0.00 0.00 176.35 175.89 1rkj s TYR 169 N -2.41 0.50 0.02 0.29 1.51 0.16 -4.88 117.35 112.54 1rkj s TYR 169 Ca 0.56 -0.90 -0.05 0.00 -1.01 0.00 0.00 57.07 55.66 1rkj s TYR 169 Cb -0.10 0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 41.99 1rkj s TYR 169 CO 0.34 -1.20 0.26 1.52 -1.11 0.00 0.00 175.55 175.36 1rkj s TYR 170 N -3.28 3.56 0.26 2.71 -0.85 -1.26 0.25 117.35 118.73 1rkj s TYR 170 Ca 0.23 0.51 -0.22 0.00 -0.52 0.00 0.00 57.07 57.07 1rkj s TYR 170 Cb -0.02 -1.94 0.03 0.00 0.38 0.00 0.00 41.96 40.40 1rkj s TYR 170 CO 0.13 0.60 0.76 -0.08 -1.52 0.00 0.00 175.55 175.45 1rkj s THR 171 N -1.35 0.00 0.00 -3.49 -1.32 0.16 -4.48 115.64 105.16 1rkj s THR 171 Ca 0.29 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1rkj s THR 171 Cb -0.13 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.87 1rkj s THR 171 CO 0.18 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1rkj n GLY 172 N -0.46 2.07 0.92 6.08 0.00 -1.26 -1.53 105.19 111.01 1rkj n GLY 172 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rkj n GLY 172 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1rkj n GLU 173 N 0.00 0.00 -0.03 1.61 -0.00 -1.24 -4.76 120.64 116.21 1rkj n GLU 173 Ca 0.00 0.05 -0.08 0.00 -0.00 0.00 0.00 57.16 57.12 1rkj n GLU 173 Cb 0.00 -1.48 -0.03 0.00 -0.00 0.00 0.00 31.44 29.94 1rkj n GLU 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rkj n LYS 174 N -2.46 0.21 0.00 3.44 4.81 -1.26 -4.49 118.16 118.40 1rkj n LYS 174 Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1rkj n LYS 174 Cb 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98