#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 -3.82 0.00 1.61 3.41 -1.26 -5.02 113.62 108.54 1rkj n SER 2 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1rkj n SER 2 Cb 0.00 -2.38 0.00 0.00 -0.26 0.00 0.00 64.21 61.57 1rkj n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1rkj n HIS 3 N -2.36 0.00 -3.59 7.33 8.25 -1.26 -5.17 115.22 118.42 1rkj n HIS 3 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1rkj n HIS 3 Cb 0.58 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 1rkj n HIS 3 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1rkj s MET 4 N 0.00 0.62 -0.06 -0.41 -2.45 -1.26 -5.08 119.30 110.65 1rkj s MET 4 Ca 0.00 0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.69 1rkj s MET 4 Cb 0.00 0.29 -0.03 0.00 1.25 0.00 0.00 34.83 36.34 1rkj s MET 4 CO 0.00 -0.17 -0.08 0.28 1.05 0.00 0.00 175.02 176.11 1rkj n VAL 5 N 1.12 0.34 -3.01 10.11 0.31 -1.26 -5.13 118.33 120.81 1rkj n VAL 5 Ca -0.12 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1rkj n VAL 5 Cb 0.57 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1rkj n VAL 5 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1rkj n GLU 6 N -3.15 0.00 0.00 5.55 2.13 -1.26 -5.14 120.64 118.77 1rkj n GLU 6 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1rkj n GLU 6 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1rkj n GLU 6 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rkj n GLY 7 N 0.00 1.91 5.00 8.31 0.00 -1.26 -4.88 105.19 114.27 1rkj n GLY 7 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -2.77 1.61 7.64 -1.26 -4.74 113.62 114.10 1rkj n SER 8 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1rkj n SER 8 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1rkj n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rkj n GLU 9 N 0.00 -3.17 -2.57 1.43 4.71 -1.26 -5.03 120.64 114.74 1rkj n GLU 9 Ca 0.00 2.59 -0.24 0.00 -0.01 0.00 0.00 57.16 59.50 1rkj n GLU 9 Cb 0.00 -5.10 0.11 0.00 -1.01 0.00 0.00 31.44 25.44 1rkj n GLU 9 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1rkj s SER 10 N -1.69 4.33 0.00 1.62 0.01 -1.26 -5.05 113.70 111.65 1rkj s SER 10 Ca 0.03 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1rkj s SER 10 Cb -0.01 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1rkj s SER 10 CO 0.73 -1.88 0.38 1.07 0.41 0.00 0.00 173.24 173.96 1rkj n THR 11 N -2.85 0.00 -4.18 1.44 5.66 -1.26 -4.75 114.28 108.34 1rkj n THR 11 Ca 0.15 0.88 -0.32 0.00 -3.05 0.00 0.00 64.05 61.71 1rkj n THR 11 Cb 0.61 -1.65 -0.08 0.00 -1.55 0.00 0.00 70.33 67.65 1rkj n THR 11 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1rkj s THR 12 N -0.76 4.23 0.57 1.09 -1.32 -1.26 -5.00 115.64 113.20 1rkj s THR 12 Ca 0.00 -0.72 0.30 0.00 -1.21 0.00 0.00 61.69 60.05 1rkj s THR 12 Cb 0.00 -2.96 0.42 0.00 -1.51 0.00 0.00 72.50 68.45 1rkj s THR 12 CO 0.00 0.26 1.87 -0.65 -2.21 0.00 0.00 174.62 173.88 1rkj h PRO 13 N 3.87 0.00 -5.80 7.08 0.11 -1.91 -3.40 132.00 131.95 1rkj h PRO 13 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 1rkj h PRO 13 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1rkj h PRO 13 CO 0.60 0.00 1.56 1.19 -0.21 0.00 0.00 178.00 181.14 1rkj n PHE 14 N -3.87 1.68 -3.64 0.65 3.72 -1.26 -4.87 117.46 109.86 1rkj n PHE 14 Ca 0.12 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.50 1rkj n PHE 14 Cb 0.81 -2.67 -0.07 0.00 -0.94 0.00 0.00 39.48 36.61 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 10.07 -0.32 0.13 4.37 2.20 -1.26 0.23 114.94 130.36 1rkj s ASN 15 Ca 1.01 0.56 0.05 0.00 -0.94 0.00 0.00 52.86 53.54 1rkj s ASN 15 Cb -0.31 0.82 -0.04 0.00 -2.00 0.00 0.00 41.25 39.72 1rkj s ASN 15 CO 0.32 -0.09 -0.12 -0.76 -2.94 0.00 0.00 177.10 173.51 1rkj s LEU 16 N 0.63 2.44 0.29 3.54 1.43 0.48 -4.86 118.68 122.63 1rkj s LEU 16 Ca -0.01 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 1rkj s LEU 16 Cb -0.04 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1rkj s LEU 16 CO -0.12 -0.21 0.44 0.12 0.23 0.00 0.00 176.35 176.81 1rkj s PHE 17 N -2.50 3.40 -0.07 0.29 5.36 0.42 -1.30 117.98 123.58 1rkj s PHE 17 Ca 0.10 0.05 -0.05 0.00 -0.96 0.00 0.00 56.93 56.07 1rkj s PHE 17 Cb -0.03 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.93 1rkj s PHE 17 CO 0.02 0.25 0.18 0.42 -1.46 0.00 0.00 175.22 174.63 1rkj s ILE 18 N -2.12 -0.02 0.14 3.12 1.01 0.18 -0.81 121.20 122.70 1rkj s ILE 18 Ca 0.38 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1rkj s ILE 18 Cb -0.09 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1rkj s ILE 18 CO 0.31 0.03 -0.05 -0.83 0.00 0.00 0.00 174.94 174.40 1rkj s GLY 19 N 0.53 0.99 -0.51 6.18 0.00 -0.86 -1.33 107.32 112.32 1rkj s GLY 19 Ca -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 1rkj s GLY 19 CO -0.03 -1.51 0.45 -2.01 0.00 0.00 0.00 173.10 170.00 1rkj n ASN 20 N -0.15 -4.01 -1.83 1.64 5.15 -1.26 -2.21 115.26 112.59 1rkj n ASN 20 Ca -0.10 -0.34 0.07 0.00 -0.60 0.00 0.00 54.58 53.62 1rkj n ASN 20 Cb 0.62 -2.76 0.40 0.00 -0.53 0.00 0.00 39.78 37.50 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 -2.35 5.63 -3.51 1.20 4.32 -1.26 -4.46 117.00 116.57 1rkj n LEU 21 Ca -0.04 -2.93 -0.22 0.00 -0.02 0.00 0.00 56.01 52.80 1rkj n LEU 21 Cb 0.56 -0.68 0.01 0.00 -1.62 0.00 0.00 43.42 41.69 1rkj n LEU 21 CO 0.28 0.64 -0.12 -3.20 -1.22 0.00 0.00 177.39 173.77 1rkj n ASN 22 N 0.57 -5.82 -3.16 -1.43 5.15 -1.26 -4.71 115.26 104.60 1rkj n ASN 22 Ca 0.27 -0.48 -0.20 0.00 -0.60 0.00 0.00 54.58 53.57 1rkj n ASN 22 Cb 1.18 -2.66 -0.02 0.00 -0.53 0.00 0.00 39.78 37.75 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rkj n PRO 23 N -1.68 1.90 -0.09 1.20 -0.04 -1.26 -4.36 135.00 130.66 1rkj n PRO 23 Ca -0.17 -1.37 -0.16 0.00 -0.04 0.00 0.00 63.50 61.75 1rkj n PRO 23 Cb 0.64 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 1rkj n PRO 23 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1rkj h ASN 24 N 6.47 0.00 0.19 3.54 -1.24 -2.01 -3.43 115.58 119.11 1rkj h ASN 24 Ca 0.45 -0.37 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1rkj h ASN 24 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1rkj h ASN 24 CO 1.41 1.26 -0.09 0.11 -1.29 0.00 0.00 177.43 178.82 1rkj h LYS 25 N -1.00 -0.25 -0.28 6.67 1.57 -1.96 -3.48 116.57 117.84 1rkj h LYS 25 Ca -0.24 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 58.81 1rkj h LYS 25 Cb 1.05 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.18 1rkj h LYS 25 CO -0.14 -0.17 0.32 0.45 -0.57 0.00 0.00 179.45 179.34 1rkj s SER 26 N -3.37 -0.24 0.04 0.86 0.15 -1.26 -5.05 113.70 104.82 1rkj s SER 26 Ca -0.04 0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.77 1rkj s SER 26 Cb 0.00 1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 65.53 1rkj s SER 26 CO 0.11 -0.05 1.03 0.52 1.20 0.00 0.00 173.24 176.06 1rkj n VAL 27 N 5.10 -0.16 -0.25 4.45 0.31 -1.26 0.60 118.33 127.12 1rkj n VAL 27 Ca -0.08 1.58 0.21 0.00 -0.01 0.00 0.00 64.34 66.03 1rkj n VAL 27 Cb 0.54 -2.04 0.38 0.00 -0.91 0.00 0.00 33.84 31.81 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rkj n ALA 28 N -3.01 0.67 -0.06 3.52 0.00 -1.26 0.22 120.51 120.58 1rkj n ALA 28 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.09 1rkj n ALA 28 Cb 0.06 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 0.38 -0.47 0.00 4.57 -0.25 -2.53 114.58 116.28 1rkj h GLU 29 Ca 0.59 -0.18 0.09 0.00 -1.18 0.00 0.00 59.36 58.68 1rkj h GLU 29 Cb 1.49 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.97 1rkj h GLU 29 CO -0.61 0.71 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.58 1rkj h LEU 30 N 0.04 -0.94 0.05 1.64 3.38 0.38 0.42 115.31 120.28 1rkj h LEU 30 Ca 0.03 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1rkj h LEU 30 Cb 0.61 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1rkj h LEU 30 CO 0.03 -0.28 -0.10 0.07 0.09 0.00 0.00 178.44 178.24 1rkj h LYS 31 N -0.17 -0.19 -0.11 1.13 2.10 -1.39 -2.36 116.57 115.57 1rkj h LYS 31 Ca 0.21 0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.92 1rkj h LYS 31 Cb 0.51 0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.83 1rkj h LYS 31 CO -0.57 -0.13 -0.22 0.28 -2.00 0.00 0.00 179.45 176.81 1rkj h VAL 32 N -0.20 0.46 -0.84 0.07 2.07 -0.80 0.25 116.25 117.26 1rkj h VAL 32 Ca 0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.72 1rkj h VAL 32 Cb 0.23 0.46 -0.16 0.00 -1.52 0.00 0.00 31.29 30.30 1rkj h VAL 32 CO -0.07 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.35 1rkj h ALA 33 N 0.67 0.63 -0.23 1.67 0.00 0.05 2.44 119.26 124.50 1rkj h ALA 33 Ca 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1rkj h ALA 33 Cb 0.43 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1rkj h ALA 33 CO -0.28 -0.42 -0.08 0.97 0.00 0.00 0.00 179.25 179.45 1rkj h ILE 34 N 0.01 1.18 0.00 0.00 6.09 -0.65 -2.13 117.51 122.02 1rkj h ILE 34 Ca 0.42 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1rkj h ILE 34 Cb 0.68 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1rkj h ILE 34 CO -0.85 0.25 0.00 -1.20 -3.07 0.00 0.00 178.15 173.29 1rkj n SER 35 N -4.28 0.00 -0.30 2.19 7.64 0.77 -1.96 113.62 117.69 1rkj n SER 35 Ca 0.00 0.47 0.27 0.00 1.01 0.00 0.00 58.87 60.62 1rkj n SER 35 Cb 0.26 -0.14 0.48 0.00 -1.01 0.00 0.00 64.21 63.80 1rkj n SER 35 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rkj n GLU 36 N -0.91 -0.04 0.50 1.43 1.02 0.16 0.11 120.64 122.92 1rkj n GLU 36 Ca 0.00 0.98 -0.20 0.00 -0.02 0.00 0.00 57.16 57.93 1rkj n GLU 36 Cb 0.00 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 29.47 1rkj n GLU 36 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rkj h LEU 37 N 0.00 -1.09 -1.76 -4.62 7.12 -1.37 0.04 115.31 113.64 1rkj h LEU 37 Ca 0.65 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.75 1rkj h LEU 37 Cb 1.92 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 42.32 1rkj h LEU 37 CO -0.46 -0.76 0.48 -0.26 -0.13 0.00 0.00 178.44 177.31 1rkj h PHE 38 N -1.31 0.00 0.03 1.25 0.04 0.15 0.27 116.94 117.37 1rkj h PHE 38 Ca -0.13 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 1rkj h PHE 38 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1rkj h PHE 38 CO 0.01 0.00 -0.17 0.00 -0.60 0.00 0.00 178.31 177.55 1rkj h ALA 39 N 1.22 -0.02 -0.01 2.45 0.00 -0.48 -3.28 119.26 119.15 1rkj h ALA 39 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rkj h ALA 39 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1rkj h ALA 39 CO -0.00 0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.68 1rkj n LYS 40 N -4.51 1.04 -0.37 0.00 2.85 0.24 -3.18 118.16 114.22 1rkj n LYS 40 Ca -0.11 -0.06 0.06 0.00 -1.05 0.00 0.00 58.31 57.15 1rkj n LYS 40 Cb 0.55 -1.38 0.22 0.00 -0.65 0.00 0.00 35.03 33.77 1rkj n LYS 40 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1rkj n ASN 41 N -0.81 3.06 0.00 -5.58 4.13 0.70 -4.92 115.26 111.84 1rkj n ASN 41 Ca 0.18 -2.26 0.00 0.00 1.68 0.00 0.00 54.58 54.18 1rkj n ASN 41 Cb 0.10 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 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 0.61 0.00 -3.17 6.41 -0.08 -1.19 -4.90 116.55 114.23 1rkj n ASP 42 Ca 0.16 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.22 1rkj n ASP 42 Cb 0.58 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.25 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 -3.14 -2.67 -0.00 -1.26 -5.00 117.00 104.93 1rkj n LEU 43 Ca 0.00 -0.63 -0.22 0.00 -0.00 0.00 0.00 56.01 55.16 1rkj n LEU 43 Cb 0.00 -0.73 -0.06 0.00 -0.00 0.00 0.00 43.42 42.64 1rkj n LEU 43 CO 0.00 -2.49 -0.23 0.00 -0.00 0.00 0.00 177.39 174.67 1rkj n ALA 44 N -5.05 1.90 -1.35 1.47 0.00 -1.26 -4.47 120.51 111.75 1rkj n ALA 44 Ca -0.14 -3.09 -0.39 0.00 0.00 0.00 0.00 53.44 49.82 1rkj n ALA 44 Cb 0.43 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 1.56 1.02 0.34 0.00 3.14 -1.26 -3.89 118.33 119.24 1rkj n VAL 45 Ca 0.20 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.93 1rkj n VAL 45 Cb 0.54 -0.31 -0.07 0.00 -1.06 0.00 0.00 33.84 32.94 1rkj n VAL 45 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1rkj h VAL 46 N 0.12 0.13 -1.18 1.55 2.07 -0.45 -3.42 116.25 115.07 1rkj h VAL 46 Ca -0.43 -0.31 0.38 0.00 0.82 0.00 0.00 66.70 67.16 1rkj h VAL 46 Cb 1.43 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 31.24 1rkj h VAL 46 CO 0.44 0.02 0.95 -0.62 0.02 0.00 0.00 177.57 178.38 1rkj s ASP 47 N -4.52 -0.02 -0.12 0.57 2.15 -0.94 -4.98 116.67 108.82 1rkj s ASP 47 Ca -0.15 -0.05 0.01 0.00 0.43 0.00 0.00 52.55 52.80 1rkj s ASP 47 Cb 0.02 0.05 0.02 0.00 -0.30 0.00 0.00 42.92 42.71 1rkj s ASP 47 CO 0.46 -0.10 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.54 1rkj s VAL 48 N -2.13 1.46 -0.11 1.11 1.01 -1.26 -1.19 120.40 119.28 1rkj s VAL 48 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1rkj s VAL 48 Cb 0.07 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1rkj s VAL 48 CO -0.06 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 175.36 1rkj s ARG 49 N 1.26 3.19 0.35 2.72 1.70 0.95 -4.98 118.95 124.14 1rkj s ARG 49 Ca -0.01 -0.67 0.05 0.00 -0.47 0.00 0.00 55.73 54.64 1rkj s ARG 49 Cb -0.14 -2.60 -0.01 0.00 -0.57 0.00 0.00 34.95 31.63 1rkj s ARG 49 CO -0.06 0.33 0.51 0.95 -1.08 0.00 0.00 175.30 175.95 1rkj s THR 50 N 0.05 4.13 -0.27 4.99 -4.23 -1.26 0.31 115.64 119.35 1rkj s THR 50 Ca -0.04 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1rkj s THR 50 Cb -0.14 -3.45 0.08 0.00 1.34 0.00 0.00 72.50 70.33 1rkj s THR 50 CO 0.04 -0.20 0.05 -0.83 -0.54 0.00 0.00 174.62 173.14 1rkj s GLY 51 N -4.17 1.10 0.39 3.99 0.00 -0.23 -4.87 107.32 103.52 1rkj s GLY 51 Ca 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1rkj s GLY 51 CO 0.32 1.41 0.00 2.41 0.00 0.00 0.00 173.10 177.24 1rkj n THR 52 N 4.82 -4.57 0.00 0.90 -1.04 -1.26 -1.79 114.28 111.33 1rkj n THR 52 Ca -0.05 1.99 0.00 0.00 -2.04 0.00 0.00 64.05 63.95 1rkj n THR 52 Cb 0.43 -2.76 0.00 0.00 -1.82 0.00 0.00 70.33 66.18 1rkj n THR 52 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1rkj n ASN 53 N -0.55 0.00 -2.92 8.00 0.23 -1.26 -1.75 115.26 117.01 1rkj n ASN 53 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 1rkj n ASN 53 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1rkj n ARG 54 N -3.76 0.75 0.02 -3.83 1.74 -1.26 -4.72 116.66 105.60 1rkj n ARG 54 Ca 0.00 -2.31 -0.00 0.00 -0.77 0.00 0.00 57.85 54.76 1rkj n ARG 54 Cb 0.00 -1.37 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.58 0.02 -4.01 5.56 0.00 -0.72 -5.12 118.16 115.47 1rkj n LYS 55 Ca 0.14 0.01 -0.12 0.00 0.00 0.00 0.00 58.31 58.34 1rkj n LYS 55 Cb 0.59 -0.35 -0.04 0.00 0.00 0.00 0.00 35.03 35.24 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 -1.62 0.65 -0.21 5.64 -0.71 -0.87 -4.89 117.98 115.97 1rkj s PHE 56 Ca -0.01 -1.00 -0.04 0.00 -1.04 0.00 0.00 56.93 54.84 1rkj s PHE 56 Cb 0.00 0.15 0.08 0.00 -1.21 0.00 0.00 43.02 42.05 1rkj s PHE 56 CO 0.02 -1.14 0.15 0.20 -1.34 0.00 0.00 175.22 173.11 1rkj s GLY 57 N -3.12 0.25 0.22 1.99 0.00 -0.44 -1.07 107.32 105.15 1rkj s GLY 57 Ca 0.25 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.67 1rkj s GLY 57 CO 0.14 1.99 0.37 -0.19 0.00 0.00 0.00 173.10 175.41 1rkj s TYR 58 N 2.20 3.47 -0.00 1.90 2.02 0.15 0.52 117.35 127.60 1rkj s TYR 58 Ca 0.05 0.13 -0.21 0.00 -0.37 0.00 0.00 57.07 56.68 1rkj s TYR 58 Cb -0.16 -1.69 0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1rkj s TYR 58 CO -0.18 0.41 0.45 0.54 -1.57 0.00 0.00 175.55 175.20 1rkj s VAL 59 N -1.94 0.04 -0.02 0.71 0.11 -0.42 -0.03 120.40 118.85 1rkj s VAL 59 Ca 0.36 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 1rkj s VAL 59 Cb -0.10 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1rkj s VAL 59 CO 0.30 -0.18 -0.21 1.51 -3.33 0.00 0.00 175.10 173.18 1rkj s ASP 60 N -1.55 2.52 -0.09 3.54 1.47 -0.33 -0.39 116.67 121.84 1rkj s ASP 60 Ca -0.10 -0.39 -0.02 0.00 1.18 0.00 0.00 52.55 53.22 1rkj s ASP 60 Cb -0.02 -0.29 -0.03 0.00 -0.34 0.00 0.00 42.92 42.23 1rkj s ASP 60 CO 0.03 0.26 0.00 -0.36 0.68 0.00 0.00 175.17 175.79 1rkj s PHE 61 N -0.49 3.16 0.23 2.11 0.40 0.14 0.25 117.98 123.77 1rkj s PHE 61 Ca 0.08 0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.53 1rkj s PHE 61 Cb -0.08 -1.80 0.40 0.00 0.51 0.00 0.00 43.02 42.05 1rkj s PHE 61 CO -0.01 0.45 1.29 -1.91 0.70 0.00 0.00 175.22 175.74 1rkj n GLU 62 N 2.21 -0.07 0.00 0.44 0.00 -1.25 -4.54 120.64 117.42 1rkj n GLU 62 Ca -0.19 1.29 0.00 0.00 0.00 0.00 0.00 57.16 58.26 1rkj n GLU 62 Cb 0.54 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 30.04 1rkj n GLU 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1rkj n SER 63 N -5.34 0.00 -0.43 4.31 2.88 -1.26 -4.86 113.62 108.93 1rkj n SER 63 Ca 0.14 0.00 0.33 0.00 -1.33 0.00 0.00 58.87 58.01 1rkj n SER 63 Cb 0.43 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.19 1.16 -0.21 -1.46 0.00 -1.26 -0.59 120.51 117.97 1rkj n ALA 64 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 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 -3.65 0.00 -0.05 0.00 4.07 -1.26 -0.17 120.64 119.58 1rkj n GLU 65 Ca 0.30 0.40 0.19 0.00 -0.06 0.00 0.00 57.16 57.98 1rkj n GLU 65 Cb 1.27 -1.35 0.64 0.00 -0.06 0.00 0.00 31.44 31.94 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 0.11 -0.24 4.31 5.19 -1.22 -0.64 116.42 123.93 1rkj h ASP 66 Ca 0.00 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 1rkj h ASP 66 Cb 0.00 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1rkj h ASP 66 CO 0.00 0.06 -0.01 0.25 -3.12 0.00 0.00 179.24 176.42 1rkj h LEU 67 N 0.12 0.42 -0.38 1.55 5.85 -0.99 -1.29 115.31 120.59 1rkj h LEU 67 Ca 0.29 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1rkj h LEU 67 Cb 0.97 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1rkj h LEU 67 CO -0.03 0.63 0.18 -0.08 -0.34 0.00 0.00 178.44 178.80 1rkj h GLU 68 N 0.20 0.37 0.39 1.25 4.81 0.10 0.18 114.58 121.88 1rkj h GLU 68 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1rkj h GLU 68 Cb 0.42 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1rkj h GLU 68 CO 0.01 0.24 -0.19 0.87 -0.73 0.00 0.00 179.01 179.22 1rkj h LYS 69 N 0.38 -0.51 0.00 1.92 6.56 -1.38 0.19 116.57 123.74 1rkj h LYS 69 Ca 0.16 0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.78 1rkj h LYS 69 Cb 0.08 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1rkj h LYS 69 CO -0.12 -0.31 -0.01 0.00 -2.06 0.00 0.00 179.45 176.96 1rkj h ALA 70 N 0.02 1.12 0.09 3.86 0.00 -1.04 -0.90 119.26 122.40 1rkj h ALA 70 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1rkj h ALA 70 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1rkj h ALA 70 CO 0.09 0.01 -1.32 1.25 0.00 0.00 0.00 179.25 179.28 1rkj h LEU 71 N 0.00 0.30 -0.68 0.00 6.46 0.12 -3.30 115.31 118.21 1rkj h LEU 71 Ca -0.00 -0.36 -0.14 0.00 -0.12 0.00 0.00 57.88 57.26 1rkj h LEU 71 Cb 0.05 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1rkj h LEU 71 CO 0.00 1.29 -0.65 -0.08 -0.62 0.00 0.00 178.44 178.38 1rkj h GLU 72 N 0.05 0.00 -3.24 1.25 4.57 0.37 -3.34 114.58 114.24 1rkj h GLU 72 Ca -0.15 0.00 -0.79 0.00 -1.18 0.00 0.00 59.36 57.23 1rkj h GLU 72 Cb 1.95 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 30.29 1rkj h GLU 72 CO 0.17 0.65 0.97 1.28 -1.18 0.00 0.00 179.01 180.90 1rkj n LEU 73 N -3.75 6.24 0.20 1.64 4.77 -0.76 -4.81 117.00 120.52 1rkj n LEU 73 Ca -0.01 -5.04 0.11 0.00 -0.03 0.00 0.00 56.01 51.03 1rkj n LEU 73 Cb 0.65 -1.37 0.56 0.00 -2.33 0.00 0.00 43.42 40.93 1rkj n LEU 73 CO 0.42 1.52 0.88 0.74 -1.33 0.00 0.00 177.39 179.63 1rkj h THR 74 N 3.58 0.00 -0.09 -5.08 2.02 -1.76 -3.25 112.91 108.33 1rkj h THR 74 Ca 0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1rkj h THR 74 Cb 0.68 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1rkj h THR 74 CO 1.32 0.00 -0.05 0.61 0.37 0.00 0.00 175.52 177.77 1rkj n GLY 75 N -1.26 -2.06 5.50 2.16 0.00 -1.26 -4.71 105.19 103.56 1rkj n GLY 75 Ca -0.01 0.45 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 1.04 0.00 0.00 0.00 173.32 174.36 1rkj n LEU 76 N -2.96 0.00 -0.40 0.99 4.77 -1.23 -4.96 117.00 113.22 1rkj n LEU 76 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1rkj n LEU 76 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1rkj n LEU 76 CO -0.01 0.00 -0.13 0.29 -1.33 0.00 0.00 177.39 176.20 1rkj n LYS 77 N 0.00 -1.01 0.07 3.23 5.02 -1.26 -4.72 118.16 119.49 1rkj n LYS 77 Ca 0.00 0.79 -0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1rkj n LYS 77 Cb 0.00 -1.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1rkj n LYS 77 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1rkj h VAL 78 N -0.05 1.01 0.00 -0.18 -1.51 -1.88 -3.42 116.25 110.21 1rkj h VAL 78 Ca -0.01 -0.61 -0.14 0.00 -1.23 0.00 0.00 66.70 64.71 1rkj h VAL 78 Cb 0.27 1.39 -0.13 0.00 -2.13 0.00 0.00 31.29 30.69 1rkj h VAL 78 CO 0.00 0.14 -0.23 0.49 -1.23 0.00 0.00 177.57 176.75 1rkj n PHE 79 N -5.04 -1.71 0.00 5.19 3.01 -1.26 -4.90 117.46 112.75 1rkj n PHE 79 Ca -0.09 -1.43 0.00 0.00 1.01 0.00 0.00 57.45 56.95 1rkj n PHE 79 Cb 0.20 1.39 0.00 0.00 -0.01 0.00 0.00 39.48 41.06 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 -1.28 2.00 3.56 1.37 0.00 -1.26 -5.05 105.19 104.53 1rkj n GLY 80 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.87 6.48 0.23 1.61 0.01 -1.26 -4.97 114.94 115.18 1rkj s ASN 81 Ca 0.00 -1.40 -0.23 0.00 -0.71 0.00 0.00 52.86 50.52 1rkj s ASN 81 Cb 0.00 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 38.95 1rkj s ASN 81 CO 0.00 -1.52 0.34 -0.62 -1.51 0.00 0.00 177.10 173.79 1rkj n GLU 82 N 8.85 0.00 -4.40 -0.60 4.71 -1.26 -4.34 120.64 123.61 1rkj n GLU 82 Ca 0.31 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 57.26 1rkj n GLU 82 Cb 0.51 -0.89 -0.10 0.00 -1.01 0.00 0.00 31.44 29.95 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1rkj s ILE 83 N -1.08 0.77 -0.21 -3.67 -4.36 -1.26 -4.87 121.20 106.52 1rkj s ILE 83 Ca 0.56 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.87 1rkj s ILE 83 Cb -0.75 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 1rkj s ILE 83 CO 0.52 0.00 0.08 -0.54 0.24 0.00 0.00 174.94 175.24 1rkj s LYS 84 N -3.91 3.88 -0.22 0.37 -0.14 -0.94 -4.98 119.74 113.80 1rkj s LYS 84 Ca 0.35 -0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 54.54 1rkj s LYS 84 Cb 0.07 -3.30 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 1rkj s LYS 84 CO 0.15 0.08 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.27 1rkj s LEU 85 N 0.90 2.89 -0.24 3.17 1.02 -1.26 -2.04 118.68 123.12 1rkj s LEU 85 Ca 0.04 -0.40 -0.37 0.00 0.02 0.00 0.00 54.13 53.42 1rkj s LEU 85 Cb -0.14 -1.73 0.15 0.00 0.02 0.00 0.00 46.19 44.49 1rkj s LEU 85 CO 0.03 -0.02 1.38 -1.83 0.02 0.00 0.00 176.35 175.93 1rkj s GLU 86 N 1.48 0.05 -0.48 1.70 4.04 0.01 -4.97 118.70 120.53 1rkj s GLU 86 Ca 0.06 -0.02 0.03 0.00 0.04 0.00 0.00 54.97 55.07 1rkj s GLU 86 Cb -0.14 0.02 0.12 0.00 0.02 0.00 0.00 34.13 34.16 1rkj s GLU 86 CO -0.03 -0.02 0.22 -1.59 -1.84 0.00 0.00 175.26 172.00 1rkj s LYS 87 N -2.07 1.92 0.01 -4.83 -2.85 -1.26 -0.43 119.74 110.22 1rkj s LYS 87 Ca 0.12 -2.38 0.22 0.00 -1.00 0.00 0.00 55.97 52.94 1rkj s LYS 87 Cb 0.01 -3.36 0.02 0.00 -2.06 0.00 0.00 37.83 32.45 1rkj s LYS 87 CO -0.03 -1.07 1.06 -0.35 0.10 0.00 0.00 175.35 175.05 1rkj n PRO 88 N 3.53 0.06 0.00 1.78 -0.04 -1.26 -4.79 135.00 134.28 1rkj n PRO 88 Ca 0.05 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1rkj n PRO 88 Cb 0.36 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1rkj n PRO 88 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rkj n LYS 89 N -1.58 0.00 0.00 0.54 4.01 -1.26 -4.78 118.16 115.09 1rkj n LYS 89 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1rkj n LYS 89 Cb 0.35 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.87 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rkj n GLY 90 N 1.29 1.59 0.00 0.72 0.00 -1.26 -4.76 105.19 102.77 1rkj n GLY 90 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1rkj n GLY 90 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rkj n ARG 91 N 0.00 0.00 0.00 1.61 0.00 -1.26 -5.09 116.66 111.92 1rkj n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1rkj n ARG 91 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1rkj n ARG 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1rkj n ASP 92 N 0.00 0.00 -0.07 2.89 2.03 -1.26 -4.98 116.55 115.16 1rkj n ASP 92 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1rkj n ASP 92 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1rkj n ASP 92 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1rkj h SER 93 N 0.00 0.00 -3.23 1.67 0.02 -1.97 -3.41 113.55 106.63 1rkj h SER 93 Ca 0.00 -0.68 -0.58 0.00 -0.84 0.00 0.00 61.79 59.69 1rkj h SER 93 Cb 0.00 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.68 1rkj h SER 93 CO 0.00 0.95 0.13 0.29 -1.14 0.00 0.00 176.83 177.07 1rkj n LYS 94 N -4.62 1.21 0.00 3.45 4.01 -1.26 -2.28 118.16 118.66 1rkj n LYS 94 Ca -0.11 0.44 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 1rkj n LYS 94 Cb 0.40 -2.07 0.00 0.00 -0.51 0.00 0.00 35.03 32.85 1rkj n LYS 94 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1rkj n LYS 95 N -0.19 0.00 0.00 1.97 3.00 -1.26 -4.54 118.16 117.14 1rkj n LYS 95 Ca 0.10 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.49 1rkj n LYS 95 Cb 0.42 0.00 0.47 0.00 0.00 0.00 0.00 35.03 35.92 1rkj n LYS 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1rkj n VAL 96 N 0.00 0.00 -4.39 3.15 0.24 -0.97 -4.87 118.33 111.49 1rkj n VAL 96 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1rkj n VAL 96 Cb 0.00 -0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 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 -0.77 -1.74 0.00 7.34 3.00 -1.04 0.31 116.66 123.76 1rkj n ARG 97 Ca 0.12 0.23 0.00 0.00 -0.01 0.00 0.00 57.85 58.19 1rkj n ARG 97 Cb 0.05 -4.77 0.00 0.00 0.00 0.00 0.00 32.46 27.74 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rkj n ALA 98 N -4.23 0.00 -1.53 7.54 0.00 -1.13 -3.49 120.51 117.66 1rkj n ALA 98 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1rkj n ALA 98 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.38 -2.86 0.00 0.00 0.15 -4.86 120.51 110.56 1rkj n ALA 99 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 1rkj n ALA 99 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 1.23 -1.30 -4.05 0.00 3.00 -1.01 -4.88 116.66 109.65 1rkj n ARG 100 Ca 0.00 1.21 -0.13 0.00 -0.01 0.00 0.00 57.85 58.92 1rkj n ARG 100 Cb 0.00 -5.12 -0.04 0.00 0.00 0.00 0.00 32.46 27.29 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 -3.08 0.00 -0.05 0.55 -1.32 -0.45 -2.11 115.64 109.18 1rkj s THR 101 Ca 0.09 -1.54 -0.02 0.00 -1.21 0.00 0.00 61.69 59.01 1rkj s THR 101 Cb -0.01 -2.54 0.03 0.00 -1.51 0.00 0.00 72.50 68.47 1rkj s THR 101 CO 0.63 0.00 0.07 -1.48 -2.21 0.00 0.00 174.62 171.64 1rkj s LEU 102 N -3.17 0.16 -0.30 9.08 -0.00 0.18 -0.64 118.68 124.00 1rkj s LEU 102 Ca 0.28 0.12 -0.13 0.00 -0.00 0.00 0.00 54.13 54.40 1rkj s LEU 102 Cb -0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 46.19 46.09 1rkj s LEU 102 CO 0.16 -0.24 0.25 -0.22 -0.00 0.00 0.00 176.35 176.31 1rkj s LEU 103 N 2.12 4.20 -0.25 1.48 2.96 -0.26 -0.72 118.68 128.20 1rkj s LEU 103 Ca 0.04 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 1rkj s LEU 103 Cb -0.12 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1rkj s LEU 103 CO -0.03 -0.15 0.25 0.00 -1.32 0.00 0.00 176.35 175.09 1rkj s ALA 104 N 1.83 3.57 0.55 5.97 0.00 0.12 -0.69 121.76 133.12 1rkj s ALA 104 Ca 0.09 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1rkj s ALA 104 Cb -0.16 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.53 1rkj s ALA 104 CO 0.11 -0.42 0.76 0.15 0.00 0.00 0.00 175.76 176.36 1rkj s LYS 105 N 1.53 2.38 -0.33 0.00 3.01 0.12 -0.93 119.74 125.51 1rkj s LYS 105 Ca 0.11 -1.42 -0.01 0.00 -1.01 0.00 0.00 55.97 53.63 1rkj s LYS 105 Cb -0.15 -2.63 -0.01 0.00 -1.01 0.00 0.00 37.83 34.03 1rkj s LYS 105 CO 0.08 -0.77 0.30 0.09 0.51 0.00 0.00 175.35 175.57 1rkj n ASN 106 N -2.22 -3.94 -4.26 2.83 5.03 -1.26 0.35 115.26 111.79 1rkj n ASN 106 Ca 0.13 -0.15 -0.31 0.00 0.87 0.00 0.00 54.58 55.12 1rkj n ASN 106 Cb 0.61 -2.43 -0.16 0.00 -1.02 0.00 0.00 39.78 36.78 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rkj s LEU 107 N -3.33 2.06 0.21 3.41 2.01 -0.19 -4.51 118.68 118.34 1rkj s LEU 107 Ca 0.09 -0.51 -0.06 0.00 0.01 0.00 0.00 54.13 53.66 1rkj s LEU 107 Cb -0.01 -1.36 -0.06 0.00 0.01 0.00 0.00 46.19 44.77 1rkj s LEU 107 CO 0.28 0.24 0.47 -0.55 1.01 0.00 0.00 176.35 177.80 1rkj s SER 108 N -0.16 6.52 -0.44 2.29 0.15 -1.26 -4.37 113.70 116.42 1rkj s SER 108 Ca -0.04 0.71 -0.04 0.00 0.70 0.00 0.00 55.95 57.28 1rkj s SER 108 Cb -0.14 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1rkj s SER 108 CO 0.04 -0.05 1.56 0.49 1.20 0.00 0.00 173.24 176.47 1rkj n PHE 109 N -0.26 0.68 0.00 3.44 3.72 -1.26 -2.25 117.46 121.53 1rkj n PHE 109 Ca -0.01 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.18 1rkj n PHE 109 Cb 0.53 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 1rkj n PHE 109 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1rkj n ASN 110 N 4.87 0.00 -4.25 4.37 2.85 -1.26 -5.15 115.26 116.69 1rkj n ASN 110 Ca 0.24 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.36 1rkj n ASN 110 Cb 0.09 0.19 0.11 0.00 1.24 0.00 0.00 39.78 41.40 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1rkj n ILE 111 N -1.83 0.00 0.00 -1.44 2.08 -0.96 -5.01 119.36 112.21 1rkj n ILE 111 Ca 0.00 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1rkj n ILE 111 Cb 0.00 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 1rkj n ILE 111 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1rkj n THR 112 N -3.55 0.00 0.01 1.39 -2.24 -1.26 -4.98 114.28 103.64 1rkj n THR 112 Ca 0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 1rkj n THR 112 Cb 0.58 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.68 1rkj n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1rkj h GLU 113 N 0.00 0.01 -0.15 -0.78 5.08 -1.97 -2.86 114.58 113.91 1rkj h GLU 113 Ca 0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1rkj h GLU 113 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1rkj h GLU 113 CO 0.00 0.68 -0.16 0.38 -1.00 0.00 0.00 179.01 178.91 1rkj h ASP 114 N 0.00 -0.49 -0.09 1.42 3.04 -1.97 0.42 116.42 118.75 1rkj h ASP 114 Ca -0.21 0.09 -0.11 0.00 -3.24 0.00 0.00 57.03 53.57 1rkj h ASP 114 Cb 1.94 0.24 0.00 0.00 -1.04 0.00 0.00 39.33 40.47 1rkj h ASP 114 CO 0.10 -0.20 -0.36 -0.33 -2.04 0.00 0.00 179.24 176.40 1rkj h GLU 115 N -0.19 0.40 0.00 4.15 4.39 -1.98 -0.90 114.58 120.45 1rkj h GLU 115 Ca 0.10 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1rkj h GLU 115 Cb 0.33 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1rkj h GLU 115 CO -0.26 0.95 0.00 1.28 -1.16 0.00 0.00 179.01 179.82 1rkj n LEU 116 N -4.37 0.00 -0.13 1.33 4.32 -1.06 -2.01 117.00 115.08 1rkj n LEU 116 Ca -0.08 0.96 0.15 0.00 -0.02 0.00 0.00 56.01 57.02 1rkj n LEU 116 Cb 0.52 -0.46 0.52 0.00 -1.62 0.00 0.00 43.42 42.38 1rkj n LEU 116 CO 0.43 -0.46 1.20 0.50 -1.22 0.00 0.00 177.39 177.84 1rkj h LYS 117 N 0.00 0.37 -0.52 3.23 3.11 -0.32 -1.68 116.57 120.77 1rkj h LYS 117 Ca 0.00 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.92 1rkj h LYS 117 Cb 0.00 -0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 31.04 1rkj h LYS 117 CO 0.00 0.25 -0.20 1.49 -2.81 0.00 0.00 179.45 178.17 1rkj h GLU 118 N 0.38 -0.08 0.00 1.90 4.81 -0.71 -2.64 114.58 118.24 1rkj h GLU 118 Ca 0.34 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1rkj h GLU 118 Cb 0.78 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1rkj h GLU 118 CO -0.10 -0.05 -0.17 -0.24 -0.73 0.00 0.00 179.01 177.72 1rkj h VAL 119 N -0.08 1.58 -0.56 0.32 3.04 -0.71 -3.46 116.25 116.39 1rkj h VAL 119 Ca 0.24 -1.94 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1rkj h VAL 119 Cb 0.46 2.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 1rkj h VAL 119 CO -0.58 0.52 0.00 0.49 -1.01 0.00 0.00 177.57 177.00 1rkj n PHE 120 N -4.57 -0.72 0.01 3.17 3.72 -0.74 -4.93 117.46 113.39 1rkj n PHE 120 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1rkj n PHE 120 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1rkj n PHE 120 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1rkj n GLU 121 N -0.12 0.00 0.16 -1.08 1.02 -1.26 -4.89 120.64 114.47 1rkj n GLU 121 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1rkj n GLU 121 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1rkj h ASP 122 N 0.00 0.00 -0.82 1.62 5.19 -1.95 -3.46 116.42 117.00 1rkj h ASP 122 Ca 0.00 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.68 1rkj h ASP 122 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1rkj h ASP 122 CO 0.00 0.49 0.57 0.00 -3.12 0.00 0.00 179.24 177.18 1rkj n ALA 123 N -2.30 -1.12 -0.01 3.45 0.00 -1.26 -4.64 120.51 114.63 1rkj n ALA 123 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 1rkj n ALA 123 Cb 0.62 -1.59 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 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 3.32 1.46 -3.88 0.00 4.77 -0.98 -4.82 117.00 116.87 1rkj n LEU 124 Ca 0.26 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.30 1rkj n LEU 124 Cb -0.05 -0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 1rkj n LEU 124 CO 0.74 0.54 -0.42 -1.61 -1.33 0.00 0.00 177.39 175.32 1rkj s GLU 125 N -2.58 1.38 -0.21 3.23 2.02 -0.97 -5.02 118.70 116.55 1rkj s GLU 125 Ca -0.11 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 1rkj s GLU 125 Cb 0.07 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 1rkj s GLU 125 CO 0.81 -0.46 0.03 0.42 0.02 0.00 0.00 175.26 176.07 1rkj s ILE 126 N 1.63 4.19 -0.07 -1.63 1.01 -1.26 -0.71 121.20 124.37 1rkj s ILE 126 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1rkj s ILE 126 Cb -0.16 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.44 1rkj s ILE 126 CO -0.08 0.42 0.16 -0.13 0.00 0.00 0.00 174.94 175.31 1rkj s ARG 127 N 0.98 0.14 -0.10 2.79 0.52 -0.35 -5.03 118.95 117.91 1rkj s ARG 127 Ca 0.02 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1rkj s ARG 127 Cb -0.14 -0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.24 1rkj s ARG 127 CO 0.02 -0.11 -0.09 -0.48 0.02 0.00 0.00 175.30 174.66 1rkj s LEU 128 N 0.74 2.98 -0.68 2.53 2.34 -1.26 0.28 118.68 125.62 1rkj s LEU 128 Ca -0.05 -0.15 -0.11 0.00 0.06 0.00 0.00 54.13 53.87 1rkj s LEU 128 Cb -0.07 -1.66 0.18 0.00 -0.56 0.00 0.00 46.19 44.07 1rkj s LEU 128 CO -0.04 0.27 0.59 -0.69 -1.06 0.00 0.00 176.35 175.42 1rkj s VAL 129 N -0.27 4.95 0.00 1.48 1.01 0.12 -4.71 120.40 122.98 1rkj s VAL 129 Ca 0.03 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.72 1rkj s VAL 129 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1rkj s VAL 129 CO 0.03 -0.93 0.00 -0.24 0.00 0.00 0.00 175.10 173.96 1rkj n SER 130 N 4.25 0.00 -3.64 3.32 2.88 -1.26 -2.09 113.62 117.08 1rkj n SER 130 Ca 0.04 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.45 1rkj n SER 130 Cb 0.43 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rkj s GLN 131 N 0.00 0.93 -0.00 -1.46 -2.07 -1.26 -4.58 119.66 111.22 1rkj s GLN 131 Ca 0.00 -0.25 -0.01 0.00 -1.82 0.00 0.00 55.36 53.28 1rkj s GLN 131 Cb 0.00 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1rkj s GLN 131 CO 0.00 -0.32 0.03 -3.47 -1.32 0.00 0.00 175.29 170.21 1rkj n ASP 132 N 0.61 -8.32 0.00 12.60 2.03 -1.26 -4.69 116.55 117.52 1rkj n ASP 132 Ca -0.19 1.73 0.00 0.00 0.52 0.00 0.00 54.79 56.85 1rkj n ASP 132 Cb 0.59 -5.03 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rkj n GLY 133 N 1.73 0.85 0.13 0.27 0.00 -1.26 -4.47 105.19 102.44 1rkj n GLY 133 Ca -0.04 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 44.95 1rkj n GLY 133 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rkj n LYS 134 N 0.00 1.26 -1.13 1.61 2.85 -1.26 -5.12 118.16 116.37 1rkj n LYS 134 Ca 0.00 -2.15 0.15 0.00 -1.05 0.00 0.00 58.31 55.26 1rkj n LYS 134 Cb 0.00 -1.26 -0.04 0.00 -0.65 0.00 0.00 35.03 33.08 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1rkj n SER 135 N -1.07 -6.73 0.08 -5.58 7.64 -1.26 -5.00 113.62 101.70 1rkj n SER 135 Ca 0.11 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1rkj n SER 135 Cb 0.60 -3.41 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 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 -3.54 0.00 0.00 1.43 4.76 -1.26 -4.85 118.16 114.71 1rkj n LYS 136 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1rkj n LYS 136 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rkj n GLY 137 N 0.68 1.48 3.40 0.72 0.00 -0.98 -4.99 105.19 105.50 1rkj n GLY 137 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 1.12 -0.01 -0.61 1.01 -0.89 -1.03 121.20 118.79 1rkj s ILE 138 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 58.63 1rkj s ILE 138 Cb 0.00 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1rkj s ILE 138 CO 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 174.94 174.83 1rkj s ALA 139 N -3.36 0.14 -0.04 9.38 0.00 -0.11 0.14 121.76 127.91 1rkj s ALA 139 Ca 0.34 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1rkj s ALA 139 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1rkj s ALA 139 CO 0.13 -0.00 -0.25 -0.47 0.00 0.00 0.00 175.76 175.17 1rkj s TYR 140 N 0.24 2.37 0.01 0.00 6.14 0.14 0.16 117.35 126.42 1rkj s TYR 140 Ca -0.02 -0.56 0.00 0.00 0.64 0.00 0.00 57.07 57.13 1rkj s TYR 140 Cb -0.04 -1.54 -0.01 0.00 0.42 0.00 0.00 41.96 40.80 1rkj s TYR 140 CO -0.01 -0.12 -0.02 0.42 0.64 0.00 0.00 175.55 176.47 1rkj s ILE 141 N -0.41 0.08 0.04 3.14 1.09 0.10 -1.21 121.20 124.04 1rkj s ILE 141 Ca 0.04 -0.45 0.04 0.00 -1.10 0.00 0.00 60.65 59.18 1rkj s ILE 141 Cb -0.12 -0.15 -0.04 0.00 -1.06 0.00 0.00 42.46 41.09 1rkj s ILE 141 CO 0.01 -0.23 -0.04 -0.70 -0.10 0.00 0.00 174.94 173.88 1rkj s GLU 142 N -0.71 2.55 0.04 2.79 2.12 0.11 0.50 118.70 126.10 1rkj s GLU 142 Ca -0.07 -0.77 0.08 0.00 0.36 0.00 0.00 54.97 54.57 1rkj s GLU 142 Cb -0.05 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1rkj s GLU 142 CO -0.00 0.58 -0.23 -0.06 -0.54 0.00 0.00 175.26 175.01 1rkj s PHE 143 N -1.14 2.43 0.64 5.30 0.40 -0.90 -2.30 117.98 122.41 1rkj s PHE 143 Ca 0.21 -0.34 0.23 0.00 -0.60 0.00 0.00 56.93 56.42 1rkj s PHE 143 Cb -0.11 -1.43 1.14 0.00 0.51 0.00 0.00 43.02 43.13 1rkj s PHE 143 CO 0.12 0.18 1.63 1.57 0.70 0.00 0.00 175.22 179.42 1rkj h LYS 144 N 4.70 0.00 -2.37 0.44 2.10 -1.82 -3.41 116.57 116.21 1rkj h LYS 144 Ca -0.47 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.35 1rkj h LYS 144 Cb 1.15 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.40 1rkj h LYS 144 CO 0.45 0.00 0.48 -1.12 -2.00 0.00 0.00 179.45 177.26 1rkj s SER 145 N -4.18 -0.17 0.19 7.07 0.01 -1.26 -5.04 113.70 110.31 1rkj s SER 145 Ca -0.03 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1rkj s SER 145 Cb 0.09 0.50 0.08 0.00 0.21 0.00 0.00 66.02 66.90 1rkj s SER 145 CO 0.32 -0.92 1.44 1.05 0.41 0.00 0.00 173.24 175.53 1rkj h GLU 146 N 2.00 0.29 -0.07 12.44 4.11 -1.83 -3.12 114.58 128.39 1rkj h GLU 146 Ca -0.24 -0.25 0.02 0.00 0.07 0.00 0.00 59.36 58.96 1rkj h GLU 146 Cb 1.23 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1rkj h GLU 146 CO 0.26 0.92 -0.32 0.00 0.07 0.00 0.00 179.01 179.93 1rkj h ALA 147 N 1.01 -0.71 -0.03 1.06 0.00 -1.97 0.14 119.26 118.76 1rkj h ALA 147 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rkj h ALA 147 Cb 1.33 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1rkj h ALA 147 CO 0.12 -0.82 0.03 -0.44 0.00 0.00 0.00 179.25 178.14 1rkj h ASP 148 N -0.35 0.00 0.39 0.00 3.32 -1.99 -2.37 116.42 115.42 1rkj h ASP 148 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1rkj h ASP 148 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1rkj h ASP 148 CO -0.25 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 177.08 1rkj h ALA 149 N 1.97 -0.53 0.55 3.45 0.00 -0.89 -0.75 119.26 123.06 1rkj h ALA 149 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1rkj h ALA 149 Cb 0.07 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rkj h ALA 149 CO -0.00 -0.68 -0.30 1.49 0.00 0.00 0.00 179.25 179.76 1rkj h GLU 150 N -0.75 -0.76 0.09 0.00 4.81 -0.43 0.40 114.58 117.92 1rkj h GLU 150 Ca -0.05 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rkj h GLU 150 Cb 0.52 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1rkj h GLU 150 CO 0.09 -0.51 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.43 1rkj h LYS 151 N -0.79 -0.32 0.29 1.92 3.64 -1.51 -1.33 116.57 118.47 1rkj h LYS 151 Ca -0.07 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1rkj h LYS 151 Cb 0.63 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1rkj h LYS 151 CO 0.10 -0.21 -0.28 -0.91 -2.27 0.00 0.00 179.45 175.87 1rkj h ASN 152 N -0.33 -0.76 -1.52 4.20 4.21 -1.17 -0.97 115.58 119.24 1rkj h ASN 152 Ca -0.01 0.06 0.47 0.00 1.21 0.00 0.00 56.30 58.03 1rkj h ASN 152 Cb 0.32 0.25 -0.09 0.00 -1.12 0.00 0.00 38.32 37.68 1rkj h ASN 152 CO -0.09 -0.37 1.05 -0.11 -1.29 0.00 0.00 177.43 176.61 1rkj n LEU 153 N -4.06 0.08 0.11 1.61 0.00 0.14 0.25 117.00 115.14 1rkj n LEU 153 Ca -0.07 1.03 -0.21 0.00 0.00 0.00 0.00 56.01 56.77 1rkj n LEU 153 Cb 0.26 -0.51 -0.15 0.00 0.00 0.00 0.00 43.42 43.02 1rkj n LEU 153 CO 0.15 -1.08 -0.23 -0.08 0.00 0.00 0.00 177.39 176.15 1rkj h GLU 154 N 0.00 0.40 -0.00 1.96 4.57 -0.40 -3.26 114.58 117.85 1rkj h GLU 154 Ca 0.81 -0.68 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1rkj h GLU 154 Cb 2.98 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 31.82 1rkj h GLU 154 CO -0.19 1.31 -0.06 0.93 -1.18 0.00 0.00 179.01 179.82 1rkj h GLU 155 N 0.11 0.05 0.00 1.92 5.08 0.47 -3.18 114.58 119.03 1rkj h GLU 155 Ca -0.23 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1rkj h GLU 155 Cb 2.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1rkj h GLU 155 CO 0.23 0.81 0.16 0.87 -1.00 0.00 0.00 179.01 180.07 1rkj h LYS 156 N -0.70 0.00 -1.51 2.33 1.79 -0.30 -2.93 116.57 115.25 1rkj h LYS 156 Ca -0.01 0.00 0.45 0.00 -2.18 0.00 0.00 60.65 58.91 1rkj h LYS 156 Cb 0.83 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.40 1rkj h LYS 156 CO 0.01 0.00 1.06 0.94 -1.08 0.00 0.00 179.45 180.39 1rkj n GLN 157 N -2.46 -0.01 -2.54 3.15 -0.06 -1.20 -1.92 117.38 112.34 1rkj n GLN 157 Ca -0.02 0.91 -0.43 0.00 -2.00 0.00 0.00 57.00 55.47 1rkj n GLN 157 Cb 0.20 -2.03 0.01 0.00 -4.06 0.00 0.00 30.24 24.36 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rkj n GLY 158 N -1.68 4.75 2.64 1.69 0.00 -1.11 -4.76 105.19 106.72 1rkj n GLY 158 Ca 0.36 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.26 1.43 0.03 4.61 0.00 -0.81 -5.03 121.76 121.73 1rkj s ALA 159 Ca 0.38 -1.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 1rkj s ALA 159 Cb 0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1rkj s ALA 159 CO 0.02 -1.85 1.12 1.49 0.00 0.00 0.00 175.76 176.55 1rkj h GLU 160 N 7.58 -0.14 0.00 0.00 4.57 -1.89 1.61 114.58 126.31 1rkj h GLU 160 Ca -0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1rkj h GLU 160 Cb 0.98 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1rkj h GLU 160 CO 0.43 -0.09 0.00 -0.89 -1.18 0.00 0.00 179.01 177.27 1rkj n ILE 161 N -3.18 0.00 -2.24 2.32 5.41 -1.26 -2.12 119.36 118.29 1rkj n ILE 161 Ca -0.02 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.55 1rkj n ILE 161 Cb 0.09 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.04 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 1.71 4.08 -2.39 4.38 5.75 -1.26 -4.94 116.55 123.88 1rkj n ASP 162 Ca 0.00 -3.32 -0.18 0.00 -0.01 0.00 0.00 54.79 51.28 1rkj n ASP 162 Cb 0.00 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.70 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rkj n GLY 163 N -0.67 -0.43 0.21 6.12 0.00 -1.21 -4.78 105.19 104.45 1rkj n GLY 163 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.91 0.00 -3.36 1.61 3.00 -1.21 -5.06 116.66 108.72 1rkj n ARG 164 Ca -0.21 -0.63 -0.20 0.00 -0.00 0.00 0.00 57.85 56.81 1rkj n ARG 164 Cb 0.66 -0.44 0.01 0.00 0.00 0.00 0.00 32.46 32.69 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 0.00 -6.32 -1.23 6.15 2.88 -0.90 -4.76 113.62 109.43 1rkj n SER 165 Ca 0.00 -0.23 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 1rkj n SER 165 Cb 0.58 -3.24 0.00 0.00 -0.75 0.00 0.00 64.21 60.80 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 -1.27 0.07 -3.53 2.46 3.14 0.55 -4.76 118.33 114.99 1rkj n VAL 166 Ca -0.09 -0.14 -0.21 0.00 -2.96 0.00 0.00 64.34 60.93 1rkj n VAL 166 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.37 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 -0.29 6.11 -0.29 6.55 0.01 0.16 -4.66 113.70 121.29 1rkj s SER 167 Ca 0.17 0.09 -0.10 0.00 1.31 0.00 0.00 55.95 57.41 1rkj s SER 167 Cb -0.16 -1.63 0.12 0.00 0.21 0.00 0.00 66.02 64.57 1rkj s SER 167 CO 0.19 -0.34 0.64 -0.76 0.41 0.00 0.00 173.24 173.37 1rkj s LEU 168 N -4.21 -1.09 0.43 2.44 1.02 -1.26 -0.71 118.68 115.31 1rkj s LEU 168 Ca 0.41 1.53 0.04 0.00 0.02 0.00 0.00 54.13 56.13 1rkj s LEU 168 Cb -0.09 2.25 -0.04 0.00 0.02 0.00 0.00 46.19 48.33 1rkj s LEU 168 CO 0.33 -0.22 0.04 -0.31 0.02 0.00 0.00 176.35 176.21 1rkj s TYR 169 N 2.75 2.03 0.05 0.29 1.51 0.13 -4.94 117.35 119.17 1rkj s TYR 169 Ca -0.06 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1rkj s TYR 169 Cb -0.11 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1rkj s TYR 169 CO -0.19 0.13 0.26 1.52 -1.11 0.00 0.00 175.55 176.15 1rkj s TYR 170 N -2.99 3.53 -0.01 2.71 -0.85 -1.26 -1.11 117.35 117.38 1rkj s TYR 170 Ca 0.23 0.42 0.01 0.00 -0.52 0.00 0.00 57.07 57.20 1rkj s TYR 170 Cb 0.05 -1.88 0.00 0.00 0.38 0.00 0.00 41.96 40.51 1rkj s TYR 170 CO 0.11 0.57 -0.04 -0.08 -1.52 0.00 0.00 175.55 174.60 1rkj s THR 171 N -1.45 0.31 -2.00 -3.49 -1.32 0.19 -4.81 115.64 103.07 1rkj s THR 171 Ca 0.33 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1rkj s THR 171 Cb -0.13 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1rkj s THR 171 CO 0.22 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 1rkj n GLY 172 N 3.12 0.57 0.00 6.08 0.00 -1.23 -1.34 105.19 112.39 1rkj n GLY 172 Ca -0.14 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 0.11 1.61 0.28 -1.25 -4.87 120.64 116.52 1rkj n GLU 173 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1rkj n GLU 173 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1rkj n GLU 173 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rkj n LYS 174 N 0.00 0.00 0.00 3.44 5.02 -1.26 -4.68 118.16 120.68 1rkj n LYS 174 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rkj n LYS 174 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29