#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 0.00 1.61 7.64 -1.26 -4.81 113.62 117.78 1rkj n SER 2 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1rkj n SER 2 Cb 0.00 0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1rkj n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1rkj n HIS 3 N -2.75 0.00 0.00 1.43 -0.00 -1.26 -5.04 115.22 107.60 1rkj n HIS 3 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 1rkj n HIS 3 Cb 1.04 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 31.05 1rkj n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1rkj n MET 4 N -2.26 0.00 -1.02 -0.41 0.00 -1.26 -5.15 117.12 107.02 1rkj n MET 4 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 57.80 1rkj n MET 4 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.52 1rkj n MET 4 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1rkj n VAL 5 N 0.00 -0.03 -3.94 1.12 3.14 -1.26 -4.97 118.33 112.39 1rkj n VAL 5 Ca 0.00 0.28 -0.10 0.00 -2.96 0.00 0.00 64.34 61.57 1rkj n VAL 5 Cb 0.00 -0.55 -0.10 0.00 -1.06 0.00 0.00 33.84 32.13 1rkj n VAL 5 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1rkj s GLU 6 N -3.25 0.46 0.00 1.45 8.01 -1.26 -4.89 118.70 119.23 1rkj s GLU 6 Ca 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 54.97 54.34 1rkj s GLU 6 Cb 0.00 0.18 0.00 0.00 -4.31 0.00 0.00 34.13 30.00 1rkj s GLU 6 CO 0.00 -0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.58 1rkj n GLY 7 N 1.19 2.87 0.17 -1.39 0.00 -1.26 -4.84 105.19 101.93 1rkj n GLY 7 Ca -0.21 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.16 1rkj n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rkj h SER 8 N 0.00 0.00 -4.33 1.61 0.87 -1.97 -3.45 113.55 106.28 1rkj h SER 8 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 1rkj h SER 8 Cb 0.00 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 61.69 1rkj h SER 8 CO 0.00 0.29 -0.88 -1.61 -0.53 0.00 0.00 176.83 174.10 1rkj s GLU 9 N -3.07 1.83 0.97 2.24 0.41 -1.26 -5.12 118.70 114.70 1rkj s GLU 9 Ca 0.05 -1.10 -0.15 0.00 -0.41 0.00 0.00 54.97 53.36 1rkj s GLU 9 Cb 0.07 -1.98 -0.05 0.00 -1.78 0.00 0.00 34.13 30.38 1rkj s GLU 9 CO 0.72 0.52 -0.16 0.43 -0.49 0.00 0.00 175.26 176.27 1rkj n SER 10 N 1.83 -3.95 -0.09 -0.19 7.64 -1.26 -4.85 113.62 112.75 1rkj n SER 10 Ca -0.17 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.88 1rkj n SER 10 Cb 0.52 -1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.30 1.09 -2.22 0.44 1.03 -1.97 -3.46 112.91 106.53 1rkj h THR 11 Ca -0.44 -0.19 -0.06 0.00 -0.01 0.00 0.00 66.41 65.71 1rkj h THR 11 Cb 1.29 0.67 -0.19 0.00 -1.07 0.00 0.00 68.15 68.86 1rkj h THR 11 CO 0.29 0.09 0.13 0.28 -0.01 0.00 0.00 175.52 176.30 1rkj s THR 12 N -6.10 0.01 0.23 0.00 -1.32 -1.26 -5.06 115.64 102.14 1rkj s THR 12 Ca -0.13 -0.07 -0.08 0.00 -1.21 0.00 0.00 61.69 60.20 1rkj s THR 12 Cb 0.09 -0.95 0.20 0.00 -1.51 0.00 0.00 72.50 70.33 1rkj s THR 12 CO 0.71 -0.04 1.69 -0.65 -2.21 0.00 0.00 174.62 174.13 1rkj h PRO 13 N 3.04 0.25 -5.04 7.08 0.11 -1.88 -3.40 132.00 132.15 1rkj h PRO 13 Ca -0.28 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.37 1rkj h PRO 13 Cb 1.16 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 1rkj h PRO 13 CO 0.39 0.17 1.79 1.19 -0.21 0.00 0.00 178.00 181.33 1rkj n PHE 14 N -5.15 0.47 -3.83 0.65 3.72 -1.26 -4.83 117.46 107.23 1rkj n PHE 14 Ca 0.11 0.25 -0.11 0.00 -0.05 0.00 0.00 57.45 57.65 1rkj n PHE 14 Cb 0.38 -1.87 -0.08 0.00 -0.94 0.00 0.00 39.48 36.97 1rkj n PHE 14 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1rkj s ASN 15 N 6.68 -0.01 -0.00 4.37 3.84 -1.26 0.23 114.94 128.78 1rkj s ASN 15 Ca 1.32 -0.28 0.02 0.00 0.21 0.00 0.00 52.86 54.13 1rkj s ASN 15 Cb -1.05 0.29 -0.01 0.00 -0.55 0.00 0.00 41.25 39.93 1rkj s ASN 15 CO 0.49 -0.54 -0.07 -0.22 -2.79 0.00 0.00 177.10 173.97 1rkj s LEU 16 N -1.94 2.02 -0.13 3.21 2.96 0.69 -4.41 118.68 121.08 1rkj s LEU 16 Ca -0.07 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1rkj s LEU 16 Cb -0.02 -0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1rkj s LEU 16 CO -0.02 0.08 0.18 0.12 -1.32 0.00 0.00 176.35 175.38 1rkj s PHE 17 N -0.18 3.55 0.07 5.38 2.19 -0.62 -1.96 117.98 126.42 1rkj s PHE 17 Ca 0.03 0.53 -0.04 0.00 0.33 0.00 0.00 56.93 57.77 1rkj s PHE 17 Cb -0.03 -2.07 -0.03 0.00 -1.31 0.00 0.00 43.02 39.59 1rkj s PHE 17 CO -0.00 0.57 0.05 0.42 1.83 0.00 0.00 175.22 178.09 1rkj s ILE 18 N -0.53 0.19 0.08 3.12 1.09 -0.03 -1.10 121.20 124.01 1rkj s ILE 18 Ca 0.14 -1.57 -0.27 0.00 -1.10 0.00 0.00 60.65 57.85 1rkj s ILE 18 Cb -0.12 -1.46 0.09 0.00 -1.06 0.00 0.00 42.46 39.90 1rkj s ILE 18 CO 0.03 -0.86 1.08 -0.83 -0.10 0.00 0.00 174.94 174.26 1rkj s GLY 19 N -2.90 -0.30 0.00 6.18 0.00 0.89 -1.24 107.32 109.95 1rkj s GLY 19 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1rkj s GLY 19 CO -0.10 0.07 0.00 -2.01 0.00 0.00 0.00 173.10 171.05 1rkj n ASN 20 N -0.46 0.00 -4.05 1.64 5.15 -1.25 -1.73 115.26 114.56 1rkj n ASN 20 Ca -0.07 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.50 1rkj n ASN 20 Cb 0.61 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.88 1rkj n ASN 20 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rkj n LEU 21 N 0.00 -0.09 -3.61 1.20 4.77 -1.26 -1.60 117.00 116.41 1rkj n LEU 21 Ca 0.00 -1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 1rkj n LEU 21 Cb 0.00 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1rkj n LEU 21 CO 0.00 0.72 -0.23 0.59 -1.33 0.00 0.00 177.39 177.14 1rkj n ASN 22 N -1.73 -4.31 -3.46 -1.43 4.13 -1.26 -4.57 115.26 102.63 1rkj n ASN 22 Ca -0.10 -0.79 -0.36 0.00 1.68 0.00 0.00 54.58 55.02 1rkj n ASN 22 Cb 0.49 -1.41 -0.10 0.00 -1.54 0.00 0.00 39.78 37.23 1rkj n ASN 22 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1rkj n PRO 23 N -2.12 0.00 0.00 3.52 -0.02 -0.62 -2.14 135.00 133.61 1rkj n PRO 23 Ca -0.27 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.35 1rkj n PRO 23 Cb 0.62 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1rkj n PRO 23 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1rkj n ASN 24 N 8.08 0.00 -2.46 2.55 4.05 -1.26 -5.15 115.26 121.07 1rkj n ASN 24 Ca 0.37 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.40 1rkj n ASN 24 Cb 0.35 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1rkj n ASN 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1rkj n LYS 25 N -0.89 -0.03 -2.63 1.20 5.02 -0.91 -4.93 118.16 114.98 1rkj n LYS 25 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1rkj n LYS 25 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1rkj n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rkj s SER 26 N -1.20 6.27 0.27 4.39 0.15 -1.26 -4.88 113.70 117.43 1rkj s SER 26 Ca 0.00 -0.87 -0.04 0.00 0.70 0.00 0.00 55.95 55.74 1rkj s SER 26 Cb 0.00 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.31 1rkj s SER 26 CO 0.00 -1.64 1.42 0.55 1.20 0.00 0.00 173.24 174.77 1rkj n VAL 27 N 6.35 -0.38 -0.32 4.45 3.14 -1.26 0.28 118.33 130.59 1rkj n VAL 27 Ca 0.10 2.06 -0.03 0.00 -2.96 0.00 0.00 64.34 63.50 1rkj n VAL 27 Cb 0.49 -2.91 0.00 0.00 -1.06 0.00 0.00 33.84 30.36 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 -3.49 -0.22 0.36 1.55 0.00 -1.26 -0.28 120.51 117.18 1rkj n ALA 28 Ca 0.17 0.78 -0.18 0.00 0.00 0.00 0.00 53.44 54.21 1rkj n ALA 28 Cb 0.55 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.99 -0.87 0.00 4.39 -0.58 -2.41 114.58 114.12 1rkj h GLU 29 Ca 0.24 0.07 0.14 0.00 0.34 0.00 0.00 59.36 60.15 1rkj h GLU 29 Cb 0.44 0.22 -0.15 0.00 -0.10 0.00 0.00 28.75 29.17 1rkj h GLU 29 CO -0.80 -0.66 -0.31 1.28 -1.16 0.00 0.00 179.01 177.37 1rkj n LEU 30 N -5.56 -0.50 -0.15 1.33 4.77 0.61 0.15 117.00 117.66 1rkj n LEU 30 Ca -0.13 1.51 -0.03 0.00 -0.03 0.00 0.00 56.01 57.32 1rkj n LEU 30 Cb 0.44 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1rkj n LEU 30 CO 0.33 -1.38 0.95 0.07 -1.33 0.00 0.00 177.39 176.04 1rkj h LYS 31 N 0.00 0.32 0.74 3.23 2.10 -0.92 -2.47 116.57 119.57 1rkj h LYS 31 Ca 0.33 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.93 1rkj h LYS 31 Cb 0.55 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1rkj h LYS 31 CO -0.87 0.21 -0.35 0.28 -2.00 0.00 0.00 179.45 176.71 1rkj h VAL 32 N 0.33 0.21 -0.86 0.07 2.07 0.20 0.20 116.25 118.47 1rkj h VAL 32 Ca 0.23 -0.13 0.19 0.00 0.82 0.00 0.00 66.70 67.81 1rkj h VAL 32 Cb 0.26 0.24 -0.16 0.00 -1.52 0.00 0.00 31.29 30.10 1rkj h VAL 32 CO -0.25 0.01 -0.16 0.00 0.02 0.00 0.00 177.57 177.19 1rkj n ALA 33 N -2.58 0.26 -0.19 1.67 0.00 0.11 0.30 120.51 120.07 1rkj n ALA 33 Ca -0.14 0.94 -0.10 0.00 0.00 0.00 0.00 53.44 54.14 1rkj n ALA 33 Cb 0.41 -0.59 0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 1.27 0.00 0.00 2.04 -1.27 -1.86 117.51 117.68 1rkj h ILE 34 Ca 0.43 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1rkj h ILE 34 Cb 0.72 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1rkj h ILE 34 CO -0.87 0.45 0.00 -1.54 0.00 0.00 0.00 178.15 176.20 1rkj n SER 35 N -4.14 0.00 -0.32 1.72 3.41 0.87 -1.69 113.62 113.47 1rkj n SER 35 Ca 0.01 0.69 0.31 0.00 -0.26 0.00 0.00 58.87 59.62 1rkj n SER 35 Cb 0.41 -0.19 0.57 0.00 -0.26 0.00 0.00 64.21 64.74 1rkj n SER 35 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1rkj h GLU 36 N 0.00 0.02 0.02 4.33 5.08 -0.49 0.11 114.58 123.65 1rkj h GLU 36 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rkj h GLU 36 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rkj h GLU 36 CO 0.00 0.01 -0.06 1.25 -1.00 0.00 0.00 179.01 179.21 1rkj h LEU 37 N 0.02 -0.18 -1.80 1.33 7.12 -1.15 0.44 115.31 121.09 1rkj h LEU 37 Ca 0.83 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.86 1rkj h LEU 37 Cb 2.17 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 42.37 1rkj h LEU 37 CO -0.77 -0.07 0.03 -0.26 -0.13 0.00 0.00 178.44 177.24 1rkj h PHE 38 N -0.09 0.00 0.01 1.25 0.04 -0.08 0.14 116.94 118.20 1rkj h PHE 38 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1rkj h PHE 38 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1rkj h PHE 38 CO -0.27 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.36 1rkj h ALA 39 N 1.92 0.00 -0.03 2.45 0.00 0.90 -3.29 119.26 121.21 1rkj h ALA 39 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rkj h ALA 39 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rkj h ALA 39 CO 0.00 -0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.86 1rkj n LYS 40 N -4.62 1.57 -0.08 0.00 5.02 0.14 -3.69 118.16 116.50 1rkj n LYS 40 Ca -0.10 -0.83 0.05 0.00 -2.02 0.00 0.00 58.31 55.41 1rkj n LYS 40 Cb 0.45 -1.47 0.17 0.00 -0.02 0.00 0.00 35.03 34.17 1rkj n LYS 40 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rkj n ASN 41 N 0.01 0.97 -2.60 4.39 4.13 0.41 -4.95 115.26 117.62 1rkj n ASN 41 Ca 0.19 -1.90 -0.00 0.00 1.68 0.00 0.00 54.58 54.55 1rkj n ASN 41 Cb 0.31 -0.11 -0.00 0.00 -1.54 0.00 0.00 39.78 38.44 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 -0.01 -7.16 0.00 6.41 2.03 -1.24 -4.92 116.55 111.65 1rkj n ASP 42 Ca 0.08 1.31 0.00 0.00 0.52 0.00 0.00 54.79 56.71 1rkj n ASP 42 Cb 0.17 -4.96 0.00 0.00 -0.72 0.00 0.00 41.12 35.61 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 0.69 0.00 -2.88 -2.67 -0.00 -1.26 -4.79 117.00 106.09 1rkj n LEU 43 Ca -0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.66 1rkj n LEU 43 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.46 1rkj n LEU 43 CO 0.41 0.00 0.81 0.00 -0.00 0.00 0.00 177.39 178.61 1rkj n ALA 44 N -0.25 5.63 -1.36 1.47 0.00 -1.26 -4.86 120.51 119.88 1rkj n ALA 44 Ca 0.00 -4.37 -0.53 0.00 0.00 0.00 0.00 53.44 48.54 1rkj n ALA 44 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1rkj n ALA 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1rkj n VAL 45 N -0.40 0.00 0.00 0.00 3.14 -1.26 -3.67 118.33 116.14 1rkj n VAL 45 Ca 0.44 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 1rkj n VAL 45 Cb 0.41 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 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 2.72 0.00 -3.72 1.55 0.31 0.20 -4.85 118.33 114.55 1rkj n VAL 46 Ca 0.23 1.36 -0.02 0.00 -0.01 0.00 0.00 64.34 65.90 1rkj n VAL 46 Cb -0.02 -2.35 -0.01 0.00 -0.91 0.00 0.00 33.84 30.54 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 -2.01 -0.14 -0.08 4.52 1.01 -0.85 -5.00 116.67 114.12 1rkj s ASP 47 Ca 0.00 -0.34 -0.01 0.00 0.71 0.00 0.00 52.55 52.92 1rkj s ASP 47 Cb 0.00 0.40 0.03 0.00 1.01 0.00 0.00 42.92 44.35 1rkj s ASP 47 CO 0.00 -0.74 -0.03 0.54 0.21 0.00 0.00 175.17 175.15 1rkj s VAL 48 N -3.03 0.62 -0.02 -1.27 0.11 -1.26 -0.73 120.40 114.81 1rkj s VAL 48 Ca 0.13 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1rkj s VAL 48 Cb 0.00 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1rkj s VAL 48 CO 0.01 0.29 0.22 0.00 -3.33 0.00 0.00 175.10 172.29 1rkj s ARG 49 N 1.71 3.52 0.20 1.54 3.03 0.76 -4.96 118.95 124.74 1rkj s ARG 49 Ca 0.02 -0.16 0.05 0.00 2.03 0.00 0.00 55.73 57.67 1rkj s ARG 49 Cb -0.13 -3.11 -0.03 0.00 -1.03 0.00 0.00 34.95 30.65 1rkj s ARG 49 CO -0.05 0.68 0.25 0.95 -1.13 0.00 0.00 175.30 176.00 1rkj s THR 50 N -1.26 4.92 -0.16 4.99 -4.23 -1.26 -1.87 115.64 116.77 1rkj s THR 50 Ca 0.25 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1rkj s THR 50 Cb -0.13 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.18 1rkj s THR 50 CO 0.15 -0.21 0.07 -0.83 -0.54 0.00 0.00 174.62 173.26 1rkj s GLY 51 N -3.51 0.44 0.00 3.99 0.00 0.16 -4.94 107.32 103.46 1rkj s GLY 51 Ca 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1rkj s GLY 51 CO 0.27 1.57 0.00 2.41 0.00 0.00 0.00 173.10 177.35 1rkj n THR 52 N 5.21 0.00 0.00 0.90 -1.04 -1.26 -0.03 114.28 118.05 1rkj n THR 52 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1rkj n THR 52 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 3.97 0.00 0.00 8.00 5.15 -1.26 -4.90 115.26 126.21 1rkj n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1rkj n ASN 53 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rkj n ARG 54 N 0.00 0.00 -0.00 1.20 1.74 -1.26 -4.93 116.66 113.41 1rkj n ARG 54 Ca 0.00 0.12 0.03 0.00 -0.77 0.00 0.00 57.85 57.22 1rkj n ARG 54 Cb 0.00 -1.28 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 1rkj n ARG 54 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1rkj n LYS 55 N -2.35 2.73 -3.68 5.56 0.00 -1.12 -3.81 118.16 115.49 1rkj n LYS 55 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 58.31 58.19 1rkj n LYS 55 Cb 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 35.03 33.98 1rkj n LYS 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1rkj s PHE 56 N -1.94 -0.65 -0.04 5.64 0.40 0.95 -4.66 117.98 117.68 1rkj s PHE 56 Ca 0.00 1.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.69 1rkj s PHE 56 Cb 0.04 0.26 0.01 0.00 0.51 0.00 0.00 43.02 43.84 1rkj s PHE 56 CO 0.23 -0.39 -0.07 0.20 0.70 0.00 0.00 175.22 175.89 1rkj s GLY 57 N 1.83 0.49 -0.05 4.36 0.00 -0.37 0.40 107.32 113.97 1rkj s GLY 57 Ca -0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.39 1rkj s GLY 57 CO -0.13 0.18 0.19 -0.47 0.00 0.00 0.00 173.10 172.87 1rkj s TYR 58 N 0.55 -0.15 0.03 1.90 5.04 -0.78 -0.85 117.35 123.09 1rkj s TYR 58 Ca -0.08 0.34 -0.05 0.00 -2.44 0.00 0.00 57.07 54.83 1rkj s TYR 58 Cb -0.12 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 1rkj s TYR 58 CO 0.01 -0.17 0.09 0.54 -1.34 0.00 0.00 175.55 174.67 1rkj s VAL 59 N -0.40 0.13 -0.03 3.14 0.11 -0.83 -0.17 120.40 122.35 1rkj s VAL 59 Ca -0.05 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1rkj s VAL 59 Cb -0.03 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1rkj s VAL 59 CO 0.01 -0.58 0.03 1.51 -3.33 0.00 0.00 175.10 172.74 1rkj s ASP 60 N -2.00 0.57 0.55 3.54 1.47 0.09 -0.22 116.67 120.67 1rkj s ASP 60 Ca -0.07 0.03 0.07 0.00 1.18 0.00 0.00 52.55 53.76 1rkj s ASP 60 Cb -0.02 -0.15 0.07 0.00 -0.34 0.00 0.00 42.92 42.47 1rkj s ASP 60 CO -0.04 -0.16 0.76 -0.36 0.68 0.00 0.00 175.17 176.05 1rkj s PHE 61 N 1.44 1.98 -0.30 2.11 0.08 0.14 0.59 117.98 124.01 1rkj s PHE 61 Ca -0.04 -0.49 0.10 0.00 0.12 0.00 0.00 56.93 56.62 1rkj s PHE 61 Cb -0.13 -2.44 0.46 0.00 -0.57 0.00 0.00 43.02 40.35 1rkj s PHE 61 CO -0.03 -1.01 1.16 -1.91 -0.10 0.00 0.00 175.22 173.33 1rkj n GLU 62 N -2.24 3.19 -3.63 0.44 4.07 -1.24 -4.42 120.64 116.81 1rkj n GLU 62 Ca 0.13 -4.06 -0.12 0.00 -0.06 0.00 0.00 57.16 53.04 1rkj n GLU 62 Cb 0.60 -2.13 -0.07 0.00 -0.06 0.00 0.00 31.44 29.79 1rkj n GLU 62 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1rkj s SER 63 N -3.62 -0.72 -0.07 4.31 0.15 -1.26 -4.76 113.70 107.74 1rkj s SER 63 Ca 0.46 1.34 -0.23 0.00 0.70 0.00 0.00 55.95 58.22 1rkj s SER 63 Cb 0.39 1.35 -0.30 0.00 -1.71 0.00 0.00 66.02 65.76 1rkj s SER 63 CO 0.00 -0.23 0.85 0.00 1.20 0.00 0.00 173.24 175.06 1rkj h ALA 64 N 5.12 -0.06 0.44 5.45 0.00 -1.99 -2.90 119.26 125.32 1rkj h ALA 64 Ca -0.29 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 53.93 1rkj h ALA 64 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1rkj h ALA 64 CO 0.08 0.31 -0.21 1.49 0.00 0.00 0.00 179.25 180.91 1rkj h GLU 65 N -0.51 -0.57 -0.79 0.00 4.57 -2.00 -2.33 114.58 112.94 1rkj h GLU 65 Ca -0.12 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.21 1rkj h GLU 65 Cb 1.51 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 30.17 1rkj h GLU 65 CO 0.11 -0.32 0.52 -0.44 -1.18 0.00 0.00 179.01 177.70 1rkj h ASP 66 N -0.71 0.60 0.02 1.04 3.32 -1.87 -1.77 116.42 117.05 1rkj h ASP 66 Ca -0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1rkj h ASP 66 Cb 0.51 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1rkj h ASP 66 CO 0.10 0.34 -0.04 0.25 -1.72 0.00 0.00 179.24 178.18 1rkj h LEU 67 N 0.66 -0.10 -0.63 1.55 6.46 -1.27 0.36 115.31 122.33 1rkj h LEU 67 Ca 0.37 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.20 1rkj h LEU 67 Cb 0.55 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1rkj h LEU 67 CO -0.14 -0.06 0.34 -0.33 -0.62 0.00 0.00 178.44 177.63 1rkj h GLU 68 N -0.07 0.62 0.45 1.25 5.08 -0.80 -1.01 114.58 120.11 1rkj h GLU 68 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1rkj h GLU 68 Cb 0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1rkj h GLU 68 CO -0.02 0.41 -0.22 0.87 -1.00 0.00 0.00 179.01 179.05 1rkj h LYS 69 N 0.64 -0.59 -0.98 2.33 1.57 -1.09 0.52 116.57 118.98 1rkj h LYS 69 Ca 0.28 0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.36 1rkj h LYS 69 Cb 0.17 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 1rkj h LYS 69 CO -0.18 -0.28 0.54 0.00 -0.57 0.00 0.00 179.45 178.96 1rkj h ALA 70 N -0.58 1.75 0.00 3.86 0.00 -0.14 0.94 119.26 125.08 1rkj h ALA 70 Ca -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1rkj h ALA 70 Cb 0.58 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rkj h ALA 70 CO 0.10 -0.37 -0.18 1.25 0.00 0.00 0.00 179.25 180.05 1rkj h LEU 71 N 0.47 0.00 -0.76 0.00 6.46 -1.11 -3.20 115.31 117.16 1rkj h LEU 71 Ca 0.65 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 58.30 1rkj h LEU 71 Cb 1.31 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.22 1rkj h LEU 71 CO -0.53 0.18 -0.54 -0.08 -0.62 0.00 0.00 178.44 176.85 1rkj h GLU 72 N 0.00 0.00 0.00 1.25 4.81 0.32 -3.39 114.58 117.57 1rkj h GLU 72 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rkj h GLU 72 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1rkj h GLU 72 CO 0.02 0.54 0.00 1.28 -0.73 0.00 0.00 179.01 180.12 1rkj n LEU 73 N -3.66 0.00 0.00 1.64 4.77 -0.42 -4.97 117.00 114.37 1rkj n LEU 73 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1rkj n LEU 73 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1rkj n LEU 73 CO 0.40 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.87 1rkj n THR 74 N 0.00 0.00 -3.64 -5.08 -1.04 -1.26 -5.14 114.28 98.11 1rkj n THR 74 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1rkj n THR 74 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1rkj n THR 74 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1rkj s GLY 75 N 0.00 -0.05 0.26 3.41 0.00 -1.26 -5.03 107.32 104.65 1rkj s GLY 75 Ca 0.00 3.07 -0.01 0.00 0.00 0.00 0.00 44.72 47.78 1rkj s GLY 75 CO 0.00 2.56 1.79 -2.00 0.00 0.00 0.00 173.10 175.45 1rkj h LEU 76 N 6.10 0.64 -3.08 0.66 7.12 -1.96 -3.47 115.31 121.31 1rkj h LEU 76 Ca -0.28 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.80 1rkj h LEU 76 Cb 1.20 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 1rkj h LEU 76 CO 0.19 0.31 -0.73 0.29 -0.13 0.00 0.00 178.44 178.37 1rkj n LYS 77 N -4.79 -1.22 -0.33 1.25 5.02 -1.26 -4.65 118.16 112.17 1rkj n LYS 77 Ca 0.17 1.31 0.31 0.00 -2.02 0.00 0.00 58.31 58.08 1rkj n LYS 77 Cb 0.39 -1.67 0.54 0.00 -0.02 0.00 0.00 35.03 34.27 1rkj n LYS 77 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1rkj n VAL 78 N 1.65 -0.31 0.17 -0.18 0.24 -1.25 -4.47 118.33 114.18 1rkj n VAL 78 Ca -0.03 1.69 0.00 0.00 -2.04 0.00 0.00 64.34 63.96 1rkj n VAL 78 Cb 0.30 -2.75 0.00 0.00 -1.47 0.00 0.00 33.84 29.92 1rkj n VAL 78 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rkj n PHE 79 N -4.76 -4.00 0.00 6.34 3.72 -1.26 -4.87 117.46 112.62 1rkj n PHE 79 Ca 0.34 1.14 0.00 0.00 -0.05 0.00 0.00 57.45 58.88 1rkj n PHE 79 Cb 1.22 2.98 0.00 0.00 -0.94 0.00 0.00 39.48 42.73 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 -1.43 0.00 3.71 1.37 0.00 -1.26 -5.05 105.19 102.52 1rkj n GLY 80 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1rkj n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rkj s ASN 81 N -3.36 6.91 0.92 1.61 0.01 -1.26 -5.04 114.94 114.74 1rkj s ASN 81 Ca 0.00 1.10 -0.10 0.00 -0.71 0.00 0.00 52.86 53.15 1rkj s ASN 81 Cb 0.00 -2.39 0.15 0.00 0.41 0.00 0.00 41.25 39.42 1rkj s ASN 81 CO 0.00 -0.15 1.13 -1.61 -1.51 0.00 0.00 177.10 174.97 1rkj s GLU 82 N 1.04 0.95 0.44 -0.60 0.41 -1.26 -3.82 118.70 115.86 1rkj s GLU 82 Ca 0.35 1.47 0.02 0.00 -0.41 0.00 0.00 54.97 56.40 1rkj s GLU 82 Cb -0.17 -1.73 0.02 0.00 -1.78 0.00 0.00 34.13 30.47 1rkj s GLU 82 CO 0.16 -2.65 0.16 0.44 -0.49 0.00 0.00 175.26 172.88 1rkj n ILE 83 N -4.24 0.00 -3.44 -1.63 -5.35 -1.26 -4.74 119.36 98.70 1rkj n ILE 83 Ca 0.11 -1.90 -0.43 0.00 -0.27 0.00 0.00 62.75 60.25 1rkj n ILE 83 Cb 0.52 0.16 -0.09 0.00 -1.74 0.00 0.00 39.64 38.49 1rkj n ILE 83 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1rkj s LYS 84 N -3.68 2.96 0.37 6.28 2.47 -0.71 -4.98 119.74 122.45 1rkj s LYS 84 Ca 0.12 -1.16 0.08 0.00 -1.56 0.00 0.00 55.97 53.45 1rkj s LYS 84 Cb -0.01 -4.02 -0.02 0.00 -1.46 0.00 0.00 37.83 32.31 1rkj s LYS 84 CO 0.08 -0.86 0.34 -0.51 0.16 0.00 0.00 175.35 174.56 1rkj s LEU 85 N 1.65 3.53 0.03 5.43 1.43 -1.26 -0.08 118.68 129.42 1rkj s LEU 85 Ca 0.04 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 1rkj s LEU 85 Cb -0.21 -2.19 0.10 0.00 0.03 0.00 0.00 46.19 43.92 1rkj s LEU 85 CO 0.08 -0.49 1.22 -0.70 0.23 0.00 0.00 176.35 176.69 1rkj s GLU 86 N -4.07 0.61 -0.18 1.70 2.12 -0.26 -4.91 118.70 113.71 1rkj s GLU 86 Ca 0.45 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 55.30 1rkj s GLU 86 Cb -0.05 0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.48 1rkj s GLU 86 CO 0.27 -0.28 0.19 0.15 -0.54 0.00 0.00 175.26 175.05 1rkj s LYS 87 N -2.38 4.16 1.06 4.30 1.02 -1.26 -1.58 119.74 125.05 1rkj s LYS 87 Ca 0.19 -0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 1rkj s LYS 87 Cb 0.02 -3.40 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 1rkj s LYS 87 CO -0.01 0.32 -0.03 -2.30 -0.92 0.00 0.00 175.35 172.41 1rkj n PRO 88 N 3.41 -1.06 -3.60 -1.68 -0.02 -1.26 -4.84 135.00 125.95 1rkj n PRO 88 Ca -0.15 -0.29 0.01 0.00 -2.02 0.00 0.00 63.50 61.05 1rkj n PRO 88 Cb 0.52 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1rkj n PRO 88 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1rkj s LYS 89 N -3.34 0.21 0.29 -0.52 -2.85 -1.26 -5.06 119.74 107.21 1rkj s LYS 89 Ca 0.54 -0.11 -0.29 0.00 -1.00 0.00 0.00 55.97 55.11 1rkj s LYS 89 Cb -0.13 0.08 -0.10 0.00 -2.06 0.00 0.00 37.83 35.62 1rkj s LYS 89 CO 0.67 -0.10 1.18 0.20 0.10 0.00 0.00 175.35 177.40 1rkj s GLY 90 N -2.77 2.99 -0.09 0.59 0.00 -1.26 -5.01 107.32 101.77 1rkj s GLY 90 Ca 0.14 1.02 -0.32 0.00 0.00 0.00 0.00 44.72 45.56 1rkj s GLY 90 CO -0.05 1.68 1.28 1.09 0.00 0.00 0.00 173.10 177.10 1rkj s ARG 91 N -1.41 0.32 -0.47 2.90 3.03 -1.26 -5.12 118.95 116.95 1rkj s ARG 91 Ca 0.47 -0.16 0.03 0.00 2.03 0.00 0.00 55.73 58.10 1rkj s ARG 91 Cb -0.35 0.12 0.21 0.00 -1.03 0.00 0.00 34.95 33.91 1rkj s ARG 91 CO 0.44 -0.15 0.88 -0.40 -1.13 0.00 0.00 175.30 174.94 1rkj n ASP 92 N -0.35 -2.80 -3.50 -2.89 5.75 -1.26 -5.12 116.55 106.38 1rkj n ASP 92 Ca -0.05 -2.56 -0.16 0.00 -0.01 0.00 0.00 54.79 52.01 1rkj n ASP 92 Cb 0.61 1.51 -0.12 0.00 -1.03 0.00 0.00 41.12 42.09 1rkj n ASP 92 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1rkj s SER 93 N 0.22 0.98 0.00 -1.12 1.04 -1.26 -5.04 113.70 108.52 1rkj s SER 93 Ca 0.29 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1rkj s SER 93 Cb 0.09 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1rkj s SER 93 CO -0.11 -0.31 0.00 2.29 0.98 0.00 0.00 173.24 176.10 1rkj n LYS 94 N 5.33 0.00 -0.55 4.02 0.00 -1.26 -4.96 118.16 120.74 1rkj n LYS 94 Ca -0.05 0.00 0.42 0.00 -0.00 0.00 0.00 58.31 58.68 1rkj n LYS 94 Cb 0.50 0.00 0.65 0.00 -0.00 0.00 0.00 35.03 36.18 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 0.00 -0.00 0.16 -1.58 5.02 -1.26 0.25 118.16 120.75 1rkj n LYS 95 Ca 0.00 0.90 0.09 0.00 -2.02 0.00 0.00 58.31 57.28 1rkj n LYS 95 Cb 0.00 -2.03 0.50 0.00 -0.02 0.00 0.00 35.03 33.48 1rkj n LYS 95 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1rkj n VAL 96 N -3.66 0.93 -0.85 -0.18 3.14 -1.26 -4.80 118.33 111.66 1rkj n VAL 96 Ca 0.36 0.73 -0.27 0.00 -2.96 0.00 0.00 64.34 62.20 1rkj n VAL 96 Cb 1.60 -1.73 -0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1rkj n VAL 96 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1rkj n ARG 97 N -2.17 0.00 0.00 1.45 -4.01 0.70 -1.47 116.66 111.16 1rkj n ARG 97 Ca -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1rkj n ARG 97 Cb 0.12 -0.65 0.00 0.00 -3.04 0.00 0.00 32.46 28.89 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 -0.65 0.00 -1.69 2.89 0.00 -1.26 -4.90 120.51 114.90 1rkj n ALA 98 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.98 1rkj n ALA 98 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.81 0.16 -3.54 0.00 0.00 -0.54 -1.53 120.51 114.25 1rkj n ALA 99 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1rkj n ALA 99 Cb 0.00 -2.31 -0.00 0.00 0.00 0.00 0.00 19.45 17.14 1rkj n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkj n ARG 100 N 5.52 -0.91 -4.10 0.00 3.00 -1.26 -4.82 116.66 114.09 1rkj n ARG 100 Ca 0.24 -0.28 -0.14 0.00 -0.01 0.00 0.00 57.85 57.66 1rkj n ARG 100 Cb 0.19 -0.05 -0.13 0.00 0.00 0.00 0.00 32.46 32.47 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 -4.28 0.46 0.05 0.55 -1.32 -0.56 -1.79 115.64 108.74 1rkj s THR 101 Ca 0.07 -0.65 0.05 0.00 -1.21 0.00 0.00 61.69 59.96 1rkj s THR 101 Cb -0.04 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.45 1rkj s THR 101 CO 0.21 -0.14 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.16 1rkj s LEU 102 N -0.86 3.03 0.10 9.08 0.20 -0.39 0.21 118.68 130.05 1rkj s LEU 102 Ca -0.04 -0.28 -0.01 0.00 0.69 0.00 0.00 54.13 54.48 1rkj s LEU 102 Cb -0.06 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 1rkj s LEU 102 CO 0.00 0.24 0.27 -0.22 -0.29 0.00 0.00 176.35 176.35 1rkj s LEU 103 N -1.73 4.32 -0.03 -0.68 2.96 -0.24 0.48 118.68 123.76 1rkj s LEU 103 Ca 0.18 0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 1rkj s LEU 103 Cb -0.11 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 1rkj s LEU 103 CO 0.10 0.12 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 1rkj s ALA 104 N -1.59 2.14 -0.10 5.97 0.00 0.15 0.38 121.76 128.71 1rkj s ALA 104 Ca 0.37 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1rkj s ALA 104 Cb -0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1rkj s ALA 104 CO 0.27 0.50 -0.20 0.15 0.00 0.00 0.00 175.76 176.48 1rkj s LYS 105 N -0.51 3.05 0.00 0.00 3.01 0.18 0.45 119.74 125.92 1rkj s LYS 105 Ca 0.07 -0.81 0.00 0.00 -1.01 0.00 0.00 55.97 54.22 1rkj s LYS 105 Cb -0.11 -2.39 0.00 0.00 -1.01 0.00 0.00 37.83 34.32 1rkj s LYS 105 CO 0.00 0.25 0.00 0.27 0.51 0.00 0.00 175.35 176.38 1rkj n ASN 106 N 3.36 0.00 -3.62 2.83 6.94 -1.18 -1.41 115.26 122.18 1rkj n ASN 106 Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.34 1rkj n ASN 106 Cb 0.53 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1rkj s LEU 107 N 0.00 -0.08 0.00 -4.53 0.20 -1.18 -4.10 118.68 108.99 1rkj s LEU 107 Ca 0.00 0.03 0.13 0.00 0.69 0.00 0.00 54.13 54.98 1rkj s LEU 107 Cb 0.00 1.21 0.14 0.00 -0.43 0.00 0.00 46.19 47.11 1rkj s LEU 107 CO 0.00 -0.11 0.96 -0.24 -0.29 0.00 0.00 176.35 176.67 1rkj n SER 108 N 0.16 2.22 0.00 3.68 2.88 -1.26 -4.90 113.62 116.39 1rkj n SER 108 Ca 0.01 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1rkj n SER 108 Cb 0.58 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.73 0.00 0.10 0.66 3.72 -1.26 -4.76 117.46 116.64 1rkj n PHE 109 Ca 0.08 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.57 1rkj n PHE 109 Cb 0.34 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.00 0.90 -4.77 4.37 4.13 -1.26 -4.99 115.26 113.63 1rkj n ASN 110 Ca 0.00 -0.12 -0.30 0.00 1.68 0.00 0.00 54.58 55.84 1rkj n ASN 110 Cb 0.00 1.71 0.10 0.00 -1.54 0.00 0.00 39.78 40.05 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 -3.17 3.19 0.20 2.41 -1.09 -1.26 -5.07 121.20 116.40 1rkj s ILE 111 Ca -0.05 0.39 -0.23 0.00 -2.23 0.00 0.00 60.65 58.52 1rkj s ILE 111 Cb 0.12 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 38.05 1rkj s ILE 111 CO 0.74 -0.50 0.83 -0.89 -1.23 0.00 0.00 174.94 173.89 1rkj s THR 112 N -3.01 0.00 0.17 2.92 2.01 -1.26 -4.97 115.64 111.50 1rkj s THR 112 Ca 0.61 -0.72 0.11 0.00 0.31 0.00 0.00 61.69 62.00 1rkj s THR 112 Cb -0.16 -1.87 0.17 0.00 0.01 0.00 0.00 72.50 70.65 1rkj s THR 112 CO 0.56 0.00 0.68 1.21 -0.69 0.00 0.00 174.62 176.38 1rkj n GLU 113 N -0.45 -0.02 -0.32 4.92 2.13 -1.26 0.77 120.64 126.40 1rkj n GLU 113 Ca -0.06 0.58 -0.11 0.00 0.66 0.00 0.00 57.16 58.24 1rkj n GLU 113 Cb 0.60 -1.08 -0.08 0.00 0.27 0.00 0.00 31.44 31.16 1rkj n GLU 113 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1rkj h ASP 114 N 0.00 -1.96 -0.28 4.31 1.82 -1.98 0.48 116.42 118.81 1rkj h ASP 114 Ca 0.37 0.30 -0.16 0.00 -0.39 0.00 0.00 57.03 57.16 1rkj h ASP 114 Cb 1.06 0.86 -0.01 0.00 0.68 0.00 0.00 39.33 41.92 1rkj h ASP 114 CO -0.29 -0.29 -0.41 -0.08 -1.61 0.00 0.00 179.24 176.56 1rkj h GLU 115 N -0.13 0.84 0.00 0.28 4.57 -0.05 -1.17 114.58 118.92 1rkj h GLU 115 Ca 0.16 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1rkj h GLU 115 Cb 0.49 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1rkj h GLU 115 CO -0.83 1.08 0.00 -0.11 -1.18 0.00 0.00 179.01 177.97 1rkj n LEU 116 N -4.04 0.00 -0.13 1.64 7.94 0.39 -0.92 117.00 121.88 1rkj n LEU 116 Ca -0.02 0.71 0.21 0.00 -1.11 0.00 0.00 56.01 55.79 1rkj n LEU 116 Cb 0.55 -0.21 0.62 0.00 0.53 0.00 0.00 43.42 44.90 1rkj n LEU 116 CO 0.48 -0.21 1.21 0.07 -1.11 0.00 0.00 177.39 177.83 1rkj h LYS 117 N 0.00 0.18 -0.73 1.96 2.10 -0.32 0.25 116.57 120.01 1rkj h LYS 117 Ca 0.00 -0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.74 1rkj h LYS 117 Cb 0.00 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.24 1rkj h LYS 117 CO 0.00 0.12 0.48 1.49 -2.00 0.00 0.00 179.45 179.54 1rkj h GLU 118 N 0.18 0.60 0.23 0.07 4.81 -0.68 -2.01 114.58 117.78 1rkj h GLU 118 Ca 0.36 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 59.21 1rkj h GLU 118 Cb 1.15 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 30.42 1rkj h GLU 118 CO -0.07 0.40 -1.59 0.28 -0.73 0.00 0.00 179.01 177.30 1rkj h VAL 119 N 0.62 1.15 -3.49 0.32 2.07 0.14 -3.42 116.25 113.63 1rkj h VAL 119 Ca 0.34 -2.64 -0.65 0.00 0.82 0.00 0.00 66.70 64.56 1rkj h VAL 119 Cb 0.49 2.93 -0.40 0.00 -1.52 0.00 0.00 31.29 32.79 1rkj h VAL 119 CO -0.12 0.83 -0.63 -0.36 0.02 0.00 0.00 177.57 177.31 1rkj s PHE 120 N -2.59 3.40 0.01 1.57 0.40 -0.78 -4.94 117.98 115.05 1rkj s PHE 120 Ca -0.12 -3.05 -0.09 0.00 -0.60 0.00 0.00 56.93 53.07 1rkj s PHE 120 Cb 0.05 -2.91 -0.05 0.00 0.51 0.00 0.00 43.02 40.62 1rkj s PHE 120 CO 0.91 -0.82 1.06 1.49 0.70 0.00 0.00 175.22 178.56 1rkj h GLU 121 N 6.95 -0.33 -1.11 0.44 4.22 -1.75 -2.89 114.58 120.10 1rkj h GLU 121 Ca -0.06 0.02 0.36 0.00 0.08 0.00 0.00 59.36 59.76 1rkj h GLU 121 Cb 0.94 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 1rkj h GLU 121 CO 0.64 -0.22 0.75 -0.25 -2.18 0.00 0.00 179.01 177.75 1rkj n ASP 122 N -2.98 0.09 -4.55 1.04 9.92 -1.26 -4.02 116.55 114.80 1rkj n ASP 122 Ca -0.04 0.87 -0.34 0.00 -0.53 0.00 0.00 54.79 54.74 1rkj n ASP 122 Cb 0.13 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rkj s ALA 123 N -4.58 1.60 0.01 2.24 0.00 -1.09 -4.80 121.76 115.14 1rkj s ALA 123 Ca -0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 1rkj s ALA 123 Cb 0.21 -4.36 -0.20 0.00 0.00 0.00 0.00 23.12 18.76 1rkj s ALA 123 CO 0.59 -4.54 1.17 -0.07 0.00 0.00 0.00 175.76 172.91 1rkj h LEU 124 N 19.56 0.47 -9.24 0.00 3.38 -1.69 -3.44 115.31 124.35 1rkj h LEU 124 Ca -0.22 -0.67 -0.59 0.00 0.09 0.00 0.00 57.88 56.48 1rkj h LEU 124 Cb 1.24 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1rkj h LEU 124 CO 1.15 1.07 -0.28 -1.61 0.09 0.00 0.00 178.44 178.86 1rkj s GLU 125 N -3.55 4.23 0.51 1.13 0.41 -0.11 -5.03 118.70 116.30 1rkj s GLU 125 Ca -0.14 0.14 0.05 0.00 -0.41 0.00 0.00 54.97 54.61 1rkj s GLU 125 Cb 0.04 -3.46 0.01 0.00 -1.78 0.00 0.00 34.13 28.94 1rkj s GLU 125 CO 0.80 0.14 0.31 0.42 -0.49 0.00 0.00 175.26 176.43 1rkj s ILE 126 N 0.76 1.78 -0.17 -1.63 -1.09 -1.26 0.48 121.20 120.07 1rkj s ILE 126 Ca 0.18 -1.59 -0.35 0.00 -2.23 0.00 0.00 60.65 56.66 1rkj s ILE 126 Cb -0.14 -2.36 0.15 0.00 -1.58 0.00 0.00 42.46 38.53 1rkj s ILE 126 CO 0.06 0.00 1.43 -0.60 -1.23 0.00 0.00 174.94 174.60 1rkj s ARG 127 N -4.15 0.01 -0.16 2.79 6.06 0.26 -4.73 118.95 119.02 1rkj s ARG 127 Ca 0.32 -0.00 -0.26 0.00 -2.50 0.00 0.00 55.73 53.29 1rkj s ARG 127 Cb -0.01 0.00 0.07 0.00 0.06 0.00 0.00 34.95 35.07 1rkj s ARG 127 CO 0.19 -0.00 0.66 -0.48 -2.50 0.00 0.00 175.30 173.17 1rkj s LEU 128 N -2.66 -0.55 -0.52 -0.88 2.34 -1.25 -1.40 118.68 113.77 1rkj s LEU 128 Ca 0.14 1.05 -0.11 0.00 0.06 0.00 0.00 54.13 55.27 1rkj s LEU 128 Cb 0.05 2.36 0.13 0.00 -0.56 0.00 0.00 46.19 48.17 1rkj s LEU 128 CO -0.05 -0.39 0.41 -0.69 -1.06 0.00 0.00 176.35 174.57 1rkj s VAL 129 N -0.33 4.50 -0.32 1.48 1.01 0.18 -4.81 120.40 122.10 1rkj s VAL 129 Ca -0.05 -1.83 0.03 0.00 0.00 0.00 0.00 61.98 60.13 1rkj s VAL 129 Cb -0.03 -3.93 0.23 0.00 0.00 0.00 0.00 36.38 32.65 1rkj s VAL 129 CO 0.05 -0.82 1.28 -0.24 0.00 0.00 0.00 175.10 175.36 1rkj n SER 130 N 4.85 -1.19 -2.61 3.32 2.88 -1.26 -1.71 113.62 117.89 1rkj n SER 130 Ca -0.07 -1.79 -0.03 0.00 -1.33 0.00 0.00 58.87 55.65 1rkj n SER 130 Cb 0.41 1.10 0.11 0.00 -0.75 0.00 0.00 64.21 65.08 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rkj n GLN 131 N 0.11 1.20 -1.01 -1.46 6.02 -1.26 -4.52 117.38 116.45 1rkj n GLN 131 Ca -0.14 -1.31 -0.07 0.00 -0.01 0.00 0.00 57.00 55.47 1rkj n GLN 131 Cb 0.72 0.25 0.29 0.00 1.02 0.00 0.00 30.24 32.51 1rkj n GLN 131 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1rkj n ASP 132 N -1.15 4.55 0.00 1.08 -0.08 -1.26 -4.89 116.55 114.80 1rkj n ASP 132 Ca -0.13 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 49.86 1rkj n ASP 132 Cb 0.84 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rkj n GLY 133 N -0.34 3.14 1.69 0.27 0.00 -1.26 -4.77 105.19 103.92 1rkj n GLY 133 Ca 0.42 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.64 -1.33 1.61 4.81 -1.26 -5.13 118.16 117.49 1rkj n LYS 134 Ca 0.00 -2.52 0.18 0.00 -0.87 0.00 0.00 58.31 55.10 1rkj n LYS 134 Cb 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 35.03 34.43 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 0.07 -7.93 0.02 3.14 7.64 -1.26 -5.01 113.62 110.29 1rkj n SER 135 Ca 0.09 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1rkj n SER 135 Cb 1.02 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 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 -4.04 0.00 0.00 1.43 4.81 -1.26 -4.65 118.16 114.45 1rkj n LYS 136 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1rkj n LYS 136 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 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 1.14 1.01 3.04 3.14 0.00 -1.14 -5.03 105.19 107.34 1rkj n GLY 137 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.71 0.63 0.39 -0.61 1.01 -0.69 -3.09 121.20 117.12 1rkj s ILE 138 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1rkj s ILE 138 Cb 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1rkj s ILE 138 CO 0.00 -0.07 0.54 0.00 0.00 0.00 0.00 174.94 175.41 1rkj s ALA 139 N -0.72 4.26 -0.23 9.38 0.00 0.17 0.52 121.76 135.15 1rkj s ALA 139 Ca -0.02 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 1rkj s ALA 139 Cb -0.06 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.43 1rkj s ALA 139 CO 0.00 -0.20 0.45 -0.47 0.00 0.00 0.00 175.76 175.54 1rkj s TYR 140 N -2.31 -0.92 0.41 0.00 6.14 -0.49 0.29 117.35 120.48 1rkj s TYR 140 Ca 0.49 1.49 0.08 0.00 0.64 0.00 0.00 57.07 59.77 1rkj s TYR 140 Cb -0.10 0.32 -0.01 0.00 0.42 0.00 0.00 41.96 42.60 1rkj s TYR 140 CO 0.33 -0.58 0.47 0.42 0.64 0.00 0.00 175.55 176.84 1rkj s ILE 141 N 2.65 2.91 -0.28 3.14 1.01 0.18 0.90 121.20 131.71 1rkj s ILE 141 Ca 0.02 -1.16 -0.19 0.00 0.00 0.00 0.00 60.65 59.32 1rkj s ILE 141 Cb -0.13 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.40 1rkj s ILE 141 CO -0.15 -0.01 0.71 -0.70 0.00 0.00 0.00 174.94 174.79 1rkj s GLU 142 N -4.24 0.74 0.00 2.79 2.12 0.18 -1.26 118.70 119.03 1rkj s GLU 142 Ca 0.51 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.97 1rkj s GLU 142 Cb -0.07 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1rkj s GLU 142 CO 0.30 -0.13 0.00 1.19 -0.54 0.00 0.00 175.26 176.08 1rkj n PHE 143 N 3.73 0.00 0.02 5.30 3.01 -0.74 -0.93 117.46 127.85 1rkj n PHE 143 Ca -0.18 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.29 1rkj n PHE 143 Cb 0.58 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.04 1rkj n PHE 143 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1rkj n LYS 144 N 0.00 1.93 -3.71 -1.08 2.85 -1.26 -4.65 118.16 112.24 1rkj n LYS 144 Ca 0.00 -0.01 -0.06 0.00 -1.05 0.00 0.00 58.31 57.19 1rkj n LYS 144 Cb 0.00 -0.89 -0.02 0.00 -0.65 0.00 0.00 35.03 33.47 1rkj n LYS 144 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1rkj s SER 145 N -1.84 -0.26 0.47 -5.58 1.04 -1.26 -4.83 113.70 101.44 1rkj s SER 145 Ca -0.00 -0.35 0.15 0.00 0.48 0.00 0.00 55.95 56.23 1rkj s SER 145 Cb 0.01 0.53 1.11 0.00 0.10 0.00 0.00 66.02 67.78 1rkj s SER 145 CO 0.05 -0.96 2.05 1.05 0.98 0.00 0.00 173.24 176.40 1rkj h GLU 146 N 2.00 0.26 0.16 4.02 4.11 -1.94 -2.83 114.58 120.37 1rkj h GLU 146 Ca -0.23 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.18 1rkj h GLU 146 Cb 1.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1rkj h GLU 146 CO 0.27 0.17 -0.23 0.00 0.07 0.00 0.00 179.01 179.29 1rkj h ALA 147 N 1.79 -0.86 -0.34 1.06 0.00 -1.99 0.13 119.26 119.05 1rkj h ALA 147 Ca 0.17 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1rkj h ALA 147 Cb 0.33 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1rkj h ALA 147 CO -0.03 -0.89 -0.23 -0.44 0.00 0.00 0.00 179.25 177.65 1rkj h ASP 148 N -0.41 -0.75 -0.69 0.00 3.32 -1.94 0.40 116.42 116.36 1rkj h ASP 148 Ca -0.02 0.15 0.14 0.00 0.02 0.00 0.00 57.03 57.33 1rkj h ASP 148 Cb 0.37 0.38 -0.10 0.00 0.22 0.00 0.00 39.33 40.20 1rkj h ASP 148 CO -0.07 -0.26 0.16 0.00 -1.72 0.00 0.00 179.24 177.35 1rkj h ALA 149 N 0.98 0.86 0.34 3.45 0.00 -1.33 -1.93 119.26 121.63 1rkj h ALA 149 Ca 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1rkj h ALA 149 Cb 0.45 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rkj h ALA 149 CO -0.45 -0.32 -0.16 1.49 0.00 0.00 0.00 179.25 179.80 1rkj h GLU 150 N 0.27 -0.44 -0.12 0.00 4.81 0.63 0.38 114.58 120.10 1rkj h GLU 150 Ca 0.38 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1rkj h GLU 150 Cb 0.61 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1rkj h GLU 150 CO -0.47 -0.20 -0.10 -0.22 -0.73 0.00 0.00 179.01 177.29 1rkj h LYS 151 N -0.61 -0.03 -0.81 1.92 3.64 -0.24 0.12 116.57 120.57 1rkj h LYS 151 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1rkj h LYS 151 Cb 0.44 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1rkj h LYS 151 CO 0.08 -0.02 0.44 -0.91 -2.27 0.00 0.00 179.45 176.77 1rkj h ASN 152 N -0.03 1.00 -0.88 4.20 4.21 -1.47 -0.49 115.58 122.12 1rkj h ASN 152 Ca 0.02 -0.08 0.21 0.00 1.21 0.00 0.00 56.30 57.65 1rkj h ASN 152 Cb 0.08 -0.25 -0.12 0.00 -1.12 0.00 0.00 38.32 36.91 1rkj h ASN 152 CO -0.13 0.80 0.38 0.25 -1.29 0.00 0.00 177.43 177.44 1rkj h LEU 153 N 1.13 0.32 0.00 1.61 5.85 0.14 0.29 115.31 124.65 1rkj h LEU 153 Ca 0.29 0.15 -0.11 0.00 0.84 0.00 0.00 57.88 59.04 1rkj h LEU 153 Cb 0.02 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1rkj h LEU 153 CO -0.05 0.02 -1.06 -0.08 -0.34 0.00 0.00 178.44 176.94 1rkj h GLU 154 N 0.41 0.00 0.00 1.25 4.22 -0.36 -2.94 114.58 117.17 1rkj h GLU 154 Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.97 1rkj h GLU 154 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1rkj h GLU 154 CO -0.51 0.27 0.00 0.39 -2.18 0.00 0.00 179.01 176.98 1rkj n GLU 155 N -2.93 0.00 0.19 1.92 1.02 0.32 -4.11 120.64 117.04 1rkj n GLU 155 Ca -0.04 0.14 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 1rkj n GLU 155 Cb 0.74 -0.70 0.66 0.00 -0.02 0.00 0.00 31.44 32.13 1rkj n GLU 155 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1rkj h LYS 156 N 0.00 0.00 -0.80 3.49 1.79 -0.79 -3.44 116.57 116.82 1rkj h LYS 156 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1rkj h LYS 156 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1rkj h LYS 156 CO 0.00 0.00 0.27 0.94 -1.08 0.00 0.00 179.45 179.58 1rkj n GLN 157 N -2.46 0.00 -0.99 3.15 0.00 -1.11 -2.73 117.38 113.25 1rkj n GLN 157 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1rkj n GLN 157 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 30.24 30.21 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 0.82 -1.94 0.41 1.69 0.00 -1.02 -5.01 105.19 100.14 1rkj n GLY 158 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj n ALA 159 N 0.01 1.51 0.00 4.61 0.00 -1.10 -4.86 120.51 120.68 1rkj n ALA 159 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1rkj n ALA 159 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1rkj n ALA 159 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rkj n GLU 160 N -3.83 0.00 -1.68 0.00 2.13 -1.26 -4.73 120.64 111.27 1rkj n GLU 160 Ca -0.07 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.56 1rkj n GLU 160 Cb 0.28 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.92 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 0.00 -0.15 0.00 6.31 5.41 -1.26 -3.20 119.36 126.47 1rkj n ILE 161 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1rkj n ILE 161 Cb 0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 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 -1.21 0.00 0.00 4.38 5.68 -1.26 -4.66 116.55 119.48 1rkj n ASP 162 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1rkj n ASP 162 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 1.15 0.03 6.12 0.00 -1.20 -4.97 105.19 106.32 1rkj n GLY 163 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.04 -3.68 1.61 0.63 -1.26 -4.88 116.66 110.13 1rkj n ARG 164 Ca 0.00 -0.06 -0.23 0.00 -0.92 0.00 0.00 57.85 56.64 1rkj n ARG 164 Cb 0.00 -1.17 0.05 0.00 0.45 0.00 0.00 32.46 31.79 1rkj n ARG 164 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1rkj n SER 165 N -0.60 -2.74 0.00 6.15 3.41 -1.25 -4.59 113.62 114.00 1rkj n SER 165 Ca 0.08 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1rkj n SER 165 Cb 0.05 -4.36 0.00 0.00 -0.26 0.00 0.00 64.21 59.64 1rkj n SER 165 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1rkj n VAL 166 N -4.42 0.00 -3.42 -3.33 3.14 -1.19 -3.93 118.33 105.18 1rkj n VAL 166 Ca -0.19 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.79 1rkj n VAL 166 Cb 0.63 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.32 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 0.00 6.17 -0.13 6.55 0.01 -0.50 -2.45 113.70 123.36 1rkj s SER 167 Ca 0.00 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.00 1rkj s SER 167 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1rkj s SER 167 CO 0.00 -0.30 0.18 -1.48 0.41 0.00 0.00 173.24 172.05 1rkj s LEU 168 N 2.00 4.34 0.34 2.44 2.34 -1.26 0.47 118.68 129.35 1rkj s LEU 168 Ca 0.12 0.46 0.04 0.00 0.06 0.00 0.00 54.13 54.81 1rkj s LEU 168 Cb -0.16 -2.16 -0.07 0.00 -0.56 0.00 0.00 46.19 43.24 1rkj s LEU 168 CO 0.11 0.31 0.05 -0.31 -1.06 0.00 0.00 176.35 175.45 1rkj s TYR 169 N -0.53 2.08 -0.14 3.48 2.02 0.16 -4.95 117.35 119.47 1rkj s TYR 169 Ca 0.14 -0.89 -0.10 0.00 -0.37 0.00 0.00 57.07 55.85 1rkj s TYR 169 Cb -0.12 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 1rkj s TYR 169 CO 0.03 0.10 0.19 1.52 -1.57 0.00 0.00 175.55 175.83 1rkj s TYR 170 N -3.17 3.52 -0.04 2.71 -0.85 -1.26 -1.08 117.35 117.17 1rkj s TYR 170 Ca 0.36 0.53 0.02 0.00 -0.52 0.00 0.00 57.07 57.46 1rkj s TYR 170 Cb 0.09 -2.13 0.01 0.00 0.38 0.00 0.00 41.96 40.31 1rkj s TYR 170 CO 0.16 0.48 -0.08 0.95 -1.52 0.00 0.00 175.55 175.54 1rkj s THR 171 N -0.28 0.79 0.00 -3.49 -4.23 0.13 -4.81 115.64 103.75 1rkj s THR 171 Ca 0.14 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1rkj s THR 171 Cb -0.12 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 72.98 1rkj s THR 171 CO 0.03 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1rkj n GLY 172 N 3.66 2.21 7.00 3.99 0.00 -0.58 -1.50 105.19 119.97 1rkj n GLY 172 Ca -0.22 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1rkj n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rkj n GLU 173 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -2.93 120.64 117.48 1rkj n GLU 173 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1rkj n GLU 173 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1rkj n GLU 173 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1rkj n LYS 174 N 14.00 1.45 0.00 3.49 4.81 -1.26 -4.90 118.16 135.76 1rkj n LYS 174 Ca 0.00 -1.11 0.00 0.00 -0.87 0.00 0.00 58.31 56.33 1rkj n LYS 174 Cb 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98