#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h0r s LYS 2 N 0.00 3.11 -0.04 0.03 1.02 -1.26 -2.17 119.74 120.44 2h0r s LYS 2 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2h0r s LYS 2 Cb 0.00 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 2h0r s LYS 2 CO 0.00 0.53 -0.06 0.99 -0.92 0.00 0.00 175.35 175.89 2h0r s THR 3 N -0.43 0.60 -0.20 2.17 2.01 -0.70 -0.59 115.64 118.51 2h0r s THR 3 Ca 0.07 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 2h0r s THR 3 Cb -0.12 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 2h0r s THR 3 CO 0.02 0.23 0.13 -0.22 -0.69 0.00 0.00 174.62 174.09 2h0r s LEU 4 N 0.66 4.19 -0.20 4.42 2.96 -0.76 -0.56 118.68 129.39 2h0r s LEU 4 Ca -0.09 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2h0r s LEU 4 Cb -0.12 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2h0r s LEU 4 CO 0.01 0.17 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.51 2h0r s ILE 5 N 0.42 3.26 -0.38 6.68 1.01 0.19 -0.75 121.20 131.63 2h0r s ILE 5 Ca 0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2h0r s ILE 5 Cb -0.11 -2.45 0.06 0.00 0.01 0.00 0.00 42.46 39.96 2h0r s ILE 5 CO -0.01 0.45 0.19 -0.69 0.00 0.00 0.00 174.94 174.88 2h0r s VAL 6 N 1.18 4.08 -0.49 2.92 1.01 0.50 -0.71 120.40 128.90 2h0r s VAL 6 Ca 0.02 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 2h0r s VAL 6 Cb -0.14 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.86 2h0r s VAL 6 CO -0.02 -0.35 0.88 -0.69 0.00 0.00 0.00 175.10 174.92 2h0r s VAL 7 N 1.43 4.50 -1.22 2.92 1.01 0.10 -1.26 120.40 127.88 2h0r s VAL 7 Ca 0.01 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2h0r s VAL 7 Cb -0.21 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 2h0r s VAL 7 CO 0.03 -0.90 0.85 0.47 0.00 0.00 0.00 175.10 175.55 2h0r n ASP 8 N 7.12 -2.39 -4.51 3.32 8.00 -0.67 -1.35 116.55 126.06 2h0r n ASP 8 Ca 0.03 -0.74 -0.44 0.00 0.71 0.00 0.00 54.79 54.36 2h0r n ASP 8 Cb 0.48 -4.59 -0.00 0.00 -0.02 0.00 0.00 41.12 36.99 2h0r n ASP 8 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2h0r s MET 9 N -5.54 4.05 0.08 -1.24 -1.94 -1.26 -4.56 119.30 108.89 2h0r s MET 9 Ca 0.08 -2.33 0.04 0.00 -1.71 0.00 0.00 55.69 51.77 2h0r s MET 9 Cb -0.02 -5.27 -0.03 0.00 2.01 0.00 0.00 34.83 31.52 2h0r s MET 9 CO 0.77 -1.98 -0.12 -0.65 -0.01 0.00 0.00 175.02 173.03 2h0r s GLN 10 N 2.74 0.81 0.20 2.03 -0.21 -1.26 -0.98 119.66 122.98 2h0r s GLN 10 Ca 0.48 -1.01 -0.16 0.00 0.02 0.00 0.00 55.36 54.69 2h0r s GLN 10 Cb 0.00 -0.69 0.20 0.00 1.00 0.00 0.00 33.01 33.52 2h0r s GLN 10 CO 0.04 0.14 1.61 -0.91 -2.12 0.00 0.00 175.29 174.05 2h0r h ASN 11 N 4.04 -0.76 0.34 5.90 2.35 -0.95 -0.36 115.58 126.14 2h0r h ASN 11 Ca -0.39 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2h0r h ASN 11 Cb 1.19 0.44 0.00 0.00 0.05 0.00 0.00 38.32 40.01 2h0r h ASN 11 CO 0.45 -0.24 0.00 0.44 -1.65 0.00 0.00 177.43 176.42 2h0r h ASP 12 N -0.06 0.00 0.00 5.81 3.32 -1.53 -1.18 116.42 122.78 2h0r h ASP 12 Ca 0.28 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.95 2h0r h ASP 12 Cb 0.49 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 2h0r h ASP 12 CO -0.65 0.00 -2.43 0.49 -1.72 0.00 0.00 179.24 174.93 2h0r n PHE 13 N -2.59 0.00 -0.11 4.55 3.72 -0.23 -1.34 117.46 121.47 2h0r n PHE 13 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 2h0r n PHE 13 Cb 0.13 -0.99 -0.11 0.00 -0.94 0.00 0.00 39.48 37.57 2h0r n PHE 13 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2h0r n ILE 14 N -3.04 1.56 -2.41 4.37 2.08 -0.68 -0.06 119.36 121.17 2h0r n ILE 14 Ca -0.40 -0.32 -0.40 0.00 0.56 0.00 0.00 62.75 62.20 2h0r n ILE 14 Cb 1.05 -1.86 -0.04 0.00 -0.75 0.00 0.00 39.64 38.04 2h0r n ILE 14 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2h0r s SER 15 N -7.11 7.07 0.23 4.38 0.15 -0.48 -3.78 113.70 114.17 2h0r s SER 15 Ca -0.33 2.32 -0.07 0.00 0.70 0.00 0.00 55.95 58.57 2h0r s SER 15 Cb 0.10 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 62.10 2h0r s SER 15 CO 0.57 -0.29 1.83 -0.65 1.20 0.00 0.00 173.24 175.91 2h0r h PRO 16 N 3.50 0.83 0.00 5.44 0.11 -1.93 0.75 132.00 140.71 2h0r h PRO 16 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2h0r h PRO 16 Cb 1.22 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2h0r h PRO 16 CO 0.66 0.55 0.00 1.28 -0.21 0.00 0.00 178.00 180.28 2h0r n LEU 17 N -4.69 0.00 -4.77 2.35 4.77 -1.26 -4.71 117.00 108.69 2h0r n LEU 17 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 2h0r n LEU 17 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2h0r n LEU 17 CO 0.30 0.00 0.76 -0.83 -1.33 0.00 0.00 177.39 176.29 2h0r s GLY 18 N -1.89 2.95 0.22 -0.72 0.00 0.26 -4.94 107.32 103.19 2h0r s GLY 18 Ca 0.11 0.81 0.23 0.00 0.00 0.00 0.00 44.72 45.86 2h0r s GLY 18 CO 0.08 1.34 1.69 -1.14 0.00 0.00 0.00 173.10 175.08 2h0r n SER 19 N 0.74 0.58 -3.19 1.64 3.41 -1.24 -3.53 113.62 112.03 2h0r n SER 19 Ca 0.01 0.63 -0.18 0.00 -0.26 0.00 0.00 58.87 59.07 2h0r n SER 19 Cb 0.47 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 2h0r n SER 19 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2h0r n LEU 20 N -2.13 0.79 -4.68 1.04 7.94 -0.45 -4.90 117.00 114.61 2h0r n LEU 20 Ca 0.03 -4.99 -0.45 0.00 -1.11 0.00 0.00 56.01 49.49 2h0r n LEU 20 Cb 0.24 0.72 -0.04 0.00 0.53 0.00 0.00 43.42 44.87 2h0r n LEU 20 CO 0.20 2.28 1.41 0.41 -1.11 0.00 0.00 177.39 180.59 2h0r n THR 21 N 0.31 0.33 -3.09 1.96 -1.04 -1.15 -4.11 114.28 107.50 2h0r n THR 21 Ca 0.25 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.80 2h0r n THR 21 Cb 0.66 -1.93 -0.05 0.00 -1.82 0.00 0.00 70.33 67.19 2h0r n THR 21 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2h0r s VAL 22 N 2.63 4.83 0.06 12.58 1.01 0.92 -5.02 120.40 137.40 2h0r s VAL 22 Ca 0.84 1.44 -0.33 0.00 0.00 0.00 0.00 61.98 63.93 2h0r s VAL 22 Cb -0.58 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 31.66 2h0r s VAL 22 CO 0.41 0.38 1.79 -2.65 0.00 0.00 0.00 175.10 175.03 2h0r n PRO 23 N 2.84 2.40 -2.17 2.72 -0.02 -1.26 -2.07 135.00 137.43 2h0r n PRO 23 Ca -0.04 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2h0r n PRO 23 Cb 0.51 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 2h0r n PRO 23 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2h0r n LYS 24 N 5.45 -1.28 -0.24 -0.52 4.01 -1.26 -4.78 118.16 119.54 2h0r n LYS 24 Ca 0.19 0.84 -0.08 0.00 -0.51 0.00 0.00 58.31 58.76 2h0r n LYS 24 Cb 0.32 -5.22 0.04 0.00 -0.51 0.00 0.00 35.03 29.67 2h0r n LYS 24 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 2h0r h GLY 25 N 0.00 1.20 2.00 0.72 0.00 -1.66 -3.16 103.07 102.17 2h0r h GLY 25 Ca -0.38 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.16 2h0r h GLY 25 CO 0.47 0.72 -0.05 0.83 0.00 0.00 0.00 176.54 178.51 2h0r h GLU 26 N 1.04 0.00 0.00 4.80 5.08 -1.85 -1.51 114.58 122.14 2h0r h GLU 26 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2h0r h GLU 26 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2h0r h GLU 26 CO 0.01 0.05 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 2h0r n GLU 27 N -3.66 0.16 0.09 2.33 1.02 -1.19 -2.72 120.64 116.67 2h0r n GLU 27 Ca -0.02 0.51 0.08 0.00 -0.02 0.00 0.00 57.16 57.71 2h0r n GLU 27 Cb 0.15 -1.89 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 2h0r n GLU 27 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2h0r h LEU 28 N 0.00 0.00 -0.47 -4.62 3.38 -1.47 -3.39 115.31 108.75 2h0r h LEU 28 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2h0r h LEU 28 Cb 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 2h0r h LEU 28 CO 0.00 0.17 -0.12 0.40 0.09 0.00 0.00 178.44 178.98 2h0r h ILE 29 N 0.00 0.54 0.02 1.22 2.04 -1.66 -2.00 117.51 117.67 2h0r h ILE 29 Ca -0.05 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2h0r h ILE 29 Cb 1.17 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2h0r h ILE 29 CO 0.01 0.00 -0.01 0.78 0.00 0.00 0.00 178.15 178.94 2h0r h ASN 30 N 0.00 -0.02 -1.01 1.72 4.21 -1.79 -2.18 115.58 116.51 2h0r h ASN 30 Ca 0.22 -0.74 0.05 0.00 1.21 0.00 0.00 56.30 57.04 2h0r h ASN 30 Cb 0.34 0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 37.48 2h0r h ASN 30 CO -0.48 0.76 0.66 -0.65 -1.29 0.00 0.00 177.43 176.43 2h0r h PRO 31 N -0.84 1.21 -0.09 0.81 0.11 -1.73 0.65 132.00 132.12 2h0r h PRO 31 Ca -0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2h0r h PRO 31 Cb 0.76 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 2h0r h PRO 31 CO 0.00 0.80 0.03 0.82 -0.21 0.00 0.00 178.00 179.45 2h0r h ILE 32 N 1.25 1.16 -0.88 4.15 2.04 -1.50 0.10 117.51 123.84 2h0r h ILE 32 Ca 0.41 -0.47 0.18 0.00 1.00 0.00 0.00 64.86 65.98 2h0r h ILE 32 Cb 0.05 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 2h0r h ILE 32 CO -0.14 0.14 0.58 -1.28 0.00 0.00 0.00 178.15 177.44 2h0r h SER 33 N -0.02 0.46 -0.02 1.72 0.87 -0.23 0.99 113.55 117.32 2h0r h SER 33 Ca 0.03 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2h0r h SER 33 Cb 0.19 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2h0r h SER 33 CO -0.00 0.20 -0.03 0.44 -0.53 0.00 0.00 176.83 176.91 2h0r h ASP 34 N 0.47 0.05 -0.73 6.23 3.32 0.47 -3.28 116.42 122.94 2h0r h ASP 34 Ca 0.45 -0.54 0.13 0.00 0.02 0.00 0.00 57.03 57.09 2h0r h ASP 34 Cb 1.03 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 2h0r h ASP 34 CO -0.18 0.58 0.49 0.25 -1.72 0.00 0.00 179.24 178.66 2h0r h LEU 35 N -0.48 0.44 -1.46 1.55 5.85 0.81 0.15 115.31 122.17 2h0r h LEU 35 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2h0r h LEU 35 Cb 0.57 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2h0r h LEU 35 CO 0.01 0.24 -0.15 0.24 -0.34 0.00 0.00 178.44 178.44 2h0r h MET 36 N 0.48 0.00 0.00 1.25 2.86 -0.94 -3.22 114.93 115.35 2h0r h MET 36 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2h0r h MET 36 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2h0r h MET 36 CO -0.12 0.15 -0.82 1.04 1.06 0.00 0.00 176.91 178.22 2h0r n GLN 37 N -3.38 2.51 -1.53 1.72 6.02 -0.21 -4.94 117.38 117.58 2h0r n GLN 37 Ca -0.00 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 2h0r n GLN 37 Cb 0.34 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 30.53 2h0r n GLN 37 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2h0r n ASP 38 N -1.45 1.85 0.00 1.08 2.03 0.36 -4.79 116.55 115.63 2h0r n ASP 38 Ca 0.00 -0.25 0.10 0.00 0.52 0.00 0.00 54.79 55.17 2h0r n ASP 38 Cb 0.16 -1.40 0.50 0.00 -0.72 0.00 0.00 41.12 39.66 2h0r n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h0r n ALA 39 N 14.01 2.05 0.18 -1.67 0.00 -1.26 -2.19 120.51 131.62 2h0r n ALA 39 Ca 0.44 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.86 2h0r n ALA 39 Cb 0.39 -1.35 0.11 0.00 0.00 0.00 0.00 19.45 18.60 2h0r n ALA 39 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2h0r h ASP 40 N 0.00 0.00 0.57 0.00 1.82 -1.98 -3.07 116.42 113.77 2h0r h ASP 40 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 2h0r h ASP 40 Cb 0.29 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2h0r h ASP 40 CO 0.00 0.28 -0.33 0.03 -1.61 0.00 0.00 179.24 177.61 2h0r h ARG 41 N 0.00 0.00 -5.81 0.28 2.47 -1.81 -3.47 114.38 106.03 2h0r h ARG 41 Ca -0.00 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 2h0r h ARG 41 Cb 1.20 0.00 0.13 0.00 -1.65 0.00 0.00 29.97 29.65 2h0r h ARG 41 CO 0.04 0.33 -0.83 -0.25 0.56 0.00 0.00 179.97 179.82 2h0r n ASP 42 N -3.76 -3.31 -4.63 7.04 8.00 -1.16 -4.92 116.55 113.81 2h0r n ASP 42 Ca -0.01 -0.76 -0.43 0.00 0.71 0.00 0.00 54.79 54.30 2h0r n ASP 42 Cb 0.42 -4.59 -0.02 0.00 -0.02 0.00 0.00 41.12 36.91 2h0r n ASP 42 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2h0r s TRP 43 N -3.48 2.27 0.21 1.24 0.23 -1.26 -4.59 118.94 113.56 2h0r s TRP 43 Ca 0.17 0.64 -0.02 0.00 -2.03 0.00 0.00 56.10 54.86 2h0r s TRP 43 Cb -0.04 -3.96 0.18 0.00 0.03 0.00 0.00 33.47 29.68 2h0r s TRP 43 CO 0.78 -2.59 1.56 1.25 0.96 0.00 0.00 176.95 178.91 2h0r h HIS 44 N 10.28 0.70 -3.27 -1.98 -0.00 -1.20 -3.45 115.15 116.22 2h0r h HIS 44 Ca -0.32 -0.21 -0.12 0.00 -0.00 0.00 0.00 60.37 59.72 2h0r h HIS 44 Cb 1.14 -0.14 -0.19 0.00 -0.00 0.00 0.00 27.41 28.21 2h0r h HIS 44 CO 0.90 0.92 -0.35 1.03 -0.00 0.00 0.00 177.93 180.43 2h0r s ARG 45 N -4.18 0.64 0.05 5.26 1.81 -0.85 -5.01 118.95 116.67 2h0r s ARG 45 Ca -0.08 -0.35 0.09 0.00 -1.72 0.00 0.00 55.73 53.67 2h0r s ARG 45 Cb 0.12 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.86 2h0r s ARG 45 CO 0.83 -0.17 -0.23 0.42 -0.68 0.00 0.00 175.30 175.46 2h0r s ILE 46 N -1.66 2.39 -0.03 1.52 1.01 -1.26 -1.84 121.20 121.34 2h0r s ILE 46 Ca -0.12 -1.33 0.02 0.00 0.00 0.00 0.00 60.65 59.23 2h0r s ILE 46 Cb -0.05 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.46 2h0r s ILE 46 CO 0.02 0.34 -0.09 -0.69 0.00 0.00 0.00 174.94 174.52 2h0r s VAL 47 N -0.86 0.79 -0.01 2.92 1.01 0.07 -3.76 120.40 120.56 2h0r s VAL 47 Ca 0.13 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2h0r s VAL 47 Cb -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2h0r s VAL 47 CO 0.03 0.25 -0.10 0.68 0.00 0.00 0.00 175.10 175.97 2h0r s VAL 48 N 0.29 3.42 0.03 2.92 -7.23 -0.61 -0.37 120.40 118.85 2h0r s VAL 48 Ca -0.05 -0.79 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2h0r s VAL 48 Cb -0.10 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2h0r s VAL 48 CO 0.01 0.44 -0.12 0.42 -0.31 0.00 0.00 175.10 175.54 2h0r s THR 49 N -0.92 3.21 -0.06 5.32 -4.23 -0.39 -1.33 115.64 117.25 2h0r s THR 49 Ca 0.15 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2h0r s THR 49 Cb -0.11 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2h0r s THR 49 CO 0.05 0.34 -0.12 -0.13 -0.54 0.00 0.00 174.62 174.23 2h0r s ARG 50 N -1.49 1.56 0.10 3.99 0.52 -0.65 -1.68 118.95 121.31 2h0r s ARG 50 Ca 0.16 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.67 2h0r s ARG 50 Cb -0.11 -1.32 -0.08 0.00 0.52 0.00 0.00 34.95 33.96 2h0r s ARG 50 CO 0.07 0.04 1.49 0.34 0.02 0.00 0.00 175.30 177.26 2h0r s ASP 51 N 0.60 6.72 -0.40 0.23 2.15 -1.26 -1.18 116.67 123.54 2h0r s ASP 51 Ca -0.13 2.40 0.07 0.00 0.43 0.00 0.00 52.55 55.32 2h0r s ASP 51 Cb -0.15 -2.58 0.23 0.00 -0.30 0.00 0.00 42.92 40.12 2h0r s ASP 51 CO 0.03 -0.75 0.47 1.87 -0.17 0.00 0.00 175.17 176.62 2h0r n TRP 52 N 4.50 -0.54 -3.37 -5.34 -0.00 0.12 -4.82 117.44 107.98 2h0r n TRP 52 Ca 0.13 -3.48 -0.32 0.00 -0.00 0.00 0.00 57.50 53.83 2h0r n TRP 52 Cb 0.41 -0.17 -0.05 0.00 -0.00 0.00 0.00 31.31 31.50 2h0r n TRP 52 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 2h0r s HIS 53 N -0.83 3.42 0.70 5.87 3.76 -0.72 -3.25 115.29 124.24 2h0r s HIS 53 Ca 0.34 0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 56.05 2h0r s HIS 53 Cb 0.13 -2.29 0.01 0.00 1.11 0.00 0.00 32.58 31.54 2h0r s HIS 53 CO -0.14 0.23 1.06 -1.25 -0.85 0.00 0.00 174.74 173.80 2h0r s PRO 54 N -2.89 2.88 0.48 8.40 0.04 -1.26 0.12 135.00 142.77 2h0r s PRO 54 Ca 0.48 0.99 0.19 0.00 0.04 0.00 0.00 61.00 62.69 2h0r s PRO 54 Cb -0.11 -1.98 1.19 0.00 0.04 0.00 0.00 34.50 33.64 2h0r s PRO 54 CO 0.21 -1.15 2.05 0.66 0.04 0.00 0.00 177.00 178.81 2h0r h SER 55 N -0.72 0.00 -0.08 6.66 4.64 -1.96 -2.27 113.55 119.81 2h0r h SER 55 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2h0r h SER 55 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h0r h SER 55 CO 0.56 0.14 0.00 0.54 -0.87 0.00 0.00 176.83 177.20 2h0r n ARG 56 N -4.16 1.25 -1.62 4.77 1.74 -1.26 -4.97 116.66 112.41 2h0r n ARG 56 Ca -0.02 -0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 56.25 2h0r n ARG 56 Cb 0.22 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2h0r n ARG 56 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2h0r n HIS 57 N -0.32 1.41 0.37 -1.55 -0.00 -0.86 -4.89 115.22 109.37 2h0r n HIS 57 Ca 0.11 0.58 0.14 0.00 0.46 0.00 0.00 57.72 59.01 2h0r n HIS 57 Cb 0.13 -2.27 0.54 0.00 -0.12 0.00 0.00 29.99 28.28 2h0r n HIS 57 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 2h0r h ILE 58 N 1.80 0.00 -0.01 3.57 2.10 -1.55 -2.93 117.51 120.50 2h0r h ILE 58 Ca -0.44 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.14 2h0r h ILE 58 Cb 1.33 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 2h0r h ILE 58 CO 0.58 0.00 -0.20 -1.54 -1.08 0.00 0.00 178.15 175.92 2h0r n SER 59 N -2.54 0.75 -4.66 2.19 3.41 -1.26 -4.77 113.62 106.74 2h0r n SER 59 Ca 0.02 -0.70 -0.41 0.00 -0.26 0.00 0.00 58.87 57.51 2h0r n SER 59 Cb 0.27 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2h0r n SER 59 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2h0r s PHE 60 N -2.52 3.38 0.54 7.33 0.08 -1.11 -0.35 117.98 125.34 2h0r s PHE 60 Ca 0.26 1.16 0.26 0.00 0.12 0.00 0.00 56.93 58.73 2h0r s PHE 60 Cb 0.19 -2.98 1.44 0.00 -0.57 0.00 0.00 43.02 41.10 2h0r s PHE 60 CO 0.51 -0.27 1.99 0.00 -0.10 0.00 0.00 175.22 177.34 2h0r h ALA 61 N 7.46 2.41 -0.31 5.36 0.00 -1.72 -0.77 119.26 131.69 2h0r h ALA 61 Ca -0.28 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2h0r h ALA 61 Cb 1.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2h0r h ALA 61 CO 0.83 -0.65 0.21 -0.22 0.00 0.00 0.00 179.25 179.42 2h0r h LYS 62 N 0.00 0.25 -0.90 0.00 3.64 -1.82 -1.94 116.57 115.80 2h0r h LYS 62 Ca 0.24 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2h0r h LYS 62 Cb 1.02 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 2h0r h LYS 62 CO -0.00 0.16 0.11 0.09 -2.27 0.00 0.00 179.45 177.54 2h0r n ASN 63 N -4.49 3.08 -3.72 4.20 3.02 -0.30 -4.76 115.26 112.30 2h0r n ASN 63 Ca 0.03 -2.49 -0.17 0.00 -0.03 0.00 0.00 54.58 51.92 2h0r n ASN 63 Cb 0.20 -0.60 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 2h0r n ASN 63 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2h0r s HIS 64 N -1.56 0.02 0.25 3.10 3.76 -0.73 -5.00 115.29 115.13 2h0r s HIS 64 Ca 0.23 0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 55.07 2h0r s HIS 64 Cb 0.18 -0.34 -0.13 0.00 1.11 0.00 0.00 32.58 33.39 2h0r s HIS 64 CO 0.06 -0.15 1.36 1.17 -0.85 0.00 0.00 174.74 176.33 2h0r n LYS 65 N 4.78 1.98 -4.09 1.40 3.00 -1.26 -2.88 118.16 121.08 2h0r n LYS 65 Ca -0.15 0.70 -0.31 0.00 -0.00 0.00 0.00 58.31 58.55 2h0r n LYS 65 Cb 0.50 -2.33 -0.02 0.00 0.00 0.00 0.00 35.03 33.18 2h0r n LYS 65 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2h0r n ASP 66 N 1.91 -2.13 -3.85 3.14 8.00 -1.26 -4.97 116.55 117.39 2h0r n ASP 66 Ca 0.11 -1.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.38 2h0r n ASP 66 Cb 0.32 -2.94 -0.17 0.00 -0.02 0.00 0.00 41.12 38.31 2h0r n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2h0r s LYS 67 N -6.77 0.94 0.31 -1.24 1.02 -1.14 -5.14 119.74 107.72 2h0r s LYS 67 Ca 0.42 -0.06 -0.10 0.00 0.02 0.00 0.00 55.97 56.25 2h0r s LYS 67 Cb -0.23 -1.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.91 2h0r s LYS 67 CO 0.91 -0.22 0.65 -1.21 -0.92 0.00 0.00 175.35 174.56 2h0r s GLU 68 N 1.55 3.80 0.58 1.68 0.41 -1.26 -4.55 118.70 120.92 2h0r s GLU 68 Ca -0.00 0.36 -0.20 0.00 -0.41 0.00 0.00 54.97 54.71 2h0r s GLU 68 Cb -0.13 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.66 2h0r s GLU 68 CO -0.04 0.16 1.32 -2.30 -0.49 0.00 0.00 175.26 173.91 2h0r n PRO 69 N -0.69 1.47 -0.58 0.39 -0.02 -1.26 -2.85 135.00 131.47 2h0r n PRO 69 Ca 0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2h0r n PRO 69 Cb 0.53 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2h0r n PRO 69 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2h0r n TYR 70 N -1.35 0.00 -2.76 6.00 4.02 0.65 -5.00 117.16 118.72 2h0r n TYR 70 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.69 2h0r n TYR 70 Cb 0.46 -0.59 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 2h0r n TYR 70 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2h0r s SER 71 N -2.72 6.80 0.49 7.72 1.04 -1.13 -4.79 113.70 121.10 2h0r s SER 71 Ca 0.00 1.55 -0.21 0.00 0.48 0.00 0.00 55.95 57.77 2h0r s SER 71 Cb 0.00 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 2h0r s SER 71 CO 0.00 -0.40 1.13 -0.89 0.98 0.00 0.00 173.24 174.06 2h0r s THR 72 N -2.28 3.26 -0.11 2.02 2.01 -1.26 -2.71 115.64 116.56 2h0r s THR 72 Ca 0.59 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 63.33 2h0r s THR 72 Cb -0.10 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.05 2h0r s THR 72 CO 0.20 -0.09 0.37 -0.47 -0.69 0.00 0.00 174.62 173.94 2h0r s TYR 73 N -1.68 -0.37 -0.44 4.92 5.04 -0.44 -4.90 117.35 119.49 2h0r s TYR 73 Ca 0.67 0.85 -0.15 0.00 -2.44 0.00 0.00 57.07 55.99 2h0r s TYR 73 Cb -0.25 0.14 0.04 0.00 0.35 0.00 0.00 41.96 42.24 2h0r s TYR 73 CO 0.30 -0.25 0.34 0.99 -1.34 0.00 0.00 175.55 175.59 2h0r s THR 74 N -0.15 5.22 0.24 4.34 2.01 -1.26 -0.42 115.64 125.62 2h0r s THR 74 Ca -0.03 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2h0r s THR 74 Cb -0.03 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 2h0r s THR 74 CO 0.01 -0.42 1.08 -0.31 -0.69 0.00 0.00 174.62 174.29 2h0r s TYR 75 N 1.66 3.64 -0.15 4.92 1.51 -0.45 -4.90 117.35 123.58 2h0r s TYR 75 Ca 0.04 1.70 -0.07 0.00 -1.01 0.00 0.00 57.07 57.73 2h0r s TYR 75 Cb -0.21 -3.24 -0.04 0.00 -0.11 0.00 0.00 41.96 38.35 2h0r s TYR 75 CO 0.08 -0.44 0.11 -1.01 -1.11 0.00 0.00 175.55 173.18 2h0r s HIS 76 N -0.89 3.44 -0.09 2.71 3.76 -1.26 -0.85 115.29 122.11 2h0r s HIS 76 Ca 0.45 0.36 -0.38 0.00 -0.15 0.00 0.00 55.06 55.35 2h0r s HIS 76 Cb -0.30 -2.01 -0.15 0.00 1.11 0.00 0.00 32.58 31.22 2h0r s HIS 76 CO 0.38 0.48 1.60 0.45 -0.85 0.00 0.00 174.74 176.80 2h0r n SER 77 N 2.71 2.30 0.00 1.40 2.88 -1.24 -4.82 113.62 116.85 2h0r n SER 77 Ca -0.18 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.54 2h0r n SER 77 Cb 0.53 -1.21 0.59 0.00 -0.75 0.00 0.00 64.21 63.38 2h0r n SER 77 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2h0r n PRO 78 N 4.35 0.69 -2.39 -1.46 -0.04 -1.26 -4.79 135.00 130.10 2h0r n PRO 78 Ca 0.22 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2h0r n PRO 78 Cb 0.18 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 2h0r n PRO 78 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2h0r s ARG 79 N -2.00 4.36 0.12 0.54 6.06 -1.26 -4.97 118.95 121.79 2h0r s ARG 79 Ca 0.30 1.78 -0.32 0.00 -2.50 0.00 0.00 55.73 54.99 2h0r s ARG 79 Cb 0.14 -3.48 -0.11 0.00 0.06 0.00 0.00 34.95 31.55 2h0r s ARG 79 CO 0.23 -0.41 1.82 -0.35 -2.50 0.00 0.00 175.30 174.09 2h0r n PRO 80 N 4.79 2.71 0.00 5.12 -0.04 -1.26 -3.81 135.00 142.51 2h0r n PRO 80 Ca 0.11 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 2h0r n PRO 80 Cb 0.46 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 2h0r n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h0r n GLY 81 N 4.18 1.21 3.55 0.55 0.00 -1.26 -5.00 105.19 108.42 2h0r n GLY 81 Ca 0.18 -0.63 -0.51 0.00 0.00 0.00 0.00 46.02 45.06 2h0r n GLY 81 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h0r n ASP 82 N 3.55 0.92 0.00 1.61 2.03 -1.25 -4.92 116.55 118.49 2h0r n ASP 82 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2h0r n ASP 82 Cb 0.00 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 2h0r n ASP 82 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2h0r n ASP 83 N 2.00 4.98 -2.53 1.67 5.68 -1.26 -4.52 116.55 122.56 2h0r n ASP 83 Ca 0.17 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.10 2h0r n ASP 83 Cb 0.21 0.57 -0.05 0.00 -1.14 0.00 0.00 41.12 40.71 2h0r n ASP 83 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2h0r n SER 84 N -1.92 0.42 -5.01 -1.12 3.41 -1.26 -3.66 113.62 104.47 2h0r n SER 84 Ca 0.00 0.64 -0.19 0.00 -0.26 0.00 0.00 58.87 59.06 2h0r n SER 84 Cb 0.42 -0.49 0.06 0.00 -0.26 0.00 0.00 64.21 63.95 2h0r n SER 84 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2h0r s THR 85 N 1.04 2.25 0.14 6.66 -4.23 -1.26 -3.66 115.64 116.58 2h0r s THR 85 Ca 0.54 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 2h0r s THR 85 Cb -0.77 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2h0r s THR 85 CO 0.40 0.00 0.05 -1.10 -0.54 0.00 0.00 174.62 173.42 2h0r s GLN 86 N -4.65 0.95 -0.17 3.99 -0.21 -0.03 -4.95 119.66 114.58 2h0r s GLN 86 Ca 0.61 -1.45 -0.12 0.00 0.02 0.00 0.00 55.36 54.43 2h0r s GLN 86 Cb -0.06 0.16 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 2h0r s GLN 86 CO 0.39 -0.24 0.21 -2.00 -2.12 0.00 0.00 175.29 171.53 2h0r s GLU 87 N -4.02 4.17 0.12 2.91 2.56 -1.26 -1.34 118.70 121.83 2h0r s GLU 87 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.97 55.13 2h0r s GLU 87 Cb 0.07 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.76 2h0r s GLU 87 CO 0.02 0.31 0.04 0.20 -0.56 0.00 0.00 175.26 175.27 2h0r s GLY 88 N 0.29 0.89 -0.10 -1.50 0.00 0.44 -4.92 107.32 102.42 2h0r s GLY 88 Ca 0.12 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2h0r s GLY 88 CO 0.01 -1.35 -0.12 -0.42 0.00 0.00 0.00 173.10 171.23 2h0r s ILE 89 N -4.03 3.23 -0.01 0.90 -1.09 -1.26 -1.32 121.20 117.62 2h0r s ILE 89 Ca 0.21 -0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 57.78 2h0r s ILE 89 Cb 0.07 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2h0r s ILE 89 CO -0.00 0.55 0.69 -0.76 -1.23 0.00 0.00 174.94 174.19 2h0r s LEU 90 N -0.16 4.39 0.35 2.97 1.43 -1.10 -4.96 118.68 121.60 2h0r s LEU 90 Ca 0.00 1.27 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 2h0r s LEU 90 Cb -0.13 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 2h0r s LEU 90 CO 0.03 -0.00 0.43 0.26 0.23 0.00 0.00 176.35 177.30 2h0r s TRP 91 N 0.20 3.01 0.70 0.29 0.52 0.53 -0.25 118.94 123.93 2h0r s TRP 91 Ca 0.36 -0.27 -0.15 0.00 0.02 0.00 0.00 56.10 56.06 2h0r s TRP 91 Cb -0.19 -2.00 0.02 0.00 -1.15 0.00 0.00 33.47 30.15 2h0r s TRP 91 CO 0.19 -0.02 1.15 -2.14 0.02 0.00 0.00 176.95 176.16 2h0r s PRO 92 N -4.15 2.47 0.02 4.98 0.02 -1.26 -2.09 135.00 134.99 2h0r s PRO 92 Ca 0.45 1.54 -0.35 0.00 0.02 0.00 0.00 61.00 62.66 2h0r s PRO 92 Cb -0.08 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.40 2h0r s PRO 92 CO 0.30 -1.53 1.62 0.28 -0.33 0.00 0.00 177.00 177.34 2h0r n VAL 93 N -2.60 0.18 -3.69 3.83 0.31 -1.26 -4.89 118.33 110.21 2h0r n VAL 93 Ca 0.12 -0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.28 2h0r n VAL 93 Cb 0.51 -1.40 -0.09 0.00 -0.91 0.00 0.00 33.84 31.95 2h0r n VAL 93 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2h0r s HIS 94 N 1.93 -0.55 -1.32 3.52 -3.43 -1.26 -4.82 115.29 109.36 2h0r s HIS 94 Ca 0.86 1.31 -0.01 0.00 -0.80 0.00 0.00 55.06 56.42 2h0r s HIS 94 Cb -0.80 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 30.55 2h0r s HIS 94 CO 0.47 -0.29 0.14 0.00 -2.00 0.00 0.00 174.74 173.05 2h0r n VAL 96 N -4.08 0.43 -1.63 0.00 0.31 -1.26 -1.76 118.33 110.34 2h0r n VAL 96 Ca -0.16 -0.11 -0.45 0.00 -0.01 0.00 0.00 64.34 63.61 2h0r n VAL 96 Cb 0.63 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.79 2h0r n VAL 96 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2h0r n LYS 97 N 2.99 1.65 -1.28 5.55 2.85 0.12 -1.87 118.16 128.16 2h0r n LYS 97 Ca 0.14 0.58 -0.10 0.00 -1.05 0.00 0.00 58.31 57.88 2h0r n LYS 97 Cb 0.33 -2.10 -0.04 0.00 -0.65 0.00 0.00 35.03 32.57 2h0r n LYS 97 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2h0r n ASN 98 N 1.55 -5.14 -4.97 -5.58 3.02 -1.26 -4.98 115.26 97.89 2h0r n ASN 98 Ca 0.10 0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.69 2h0r n ASN 98 Cb 0.31 -3.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.96 2h0r n ASN 98 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2h0r s THR 99 N -2.04 5.09 0.14 3.41 -4.23 -0.78 -5.03 115.64 112.20 2h0r s THR 99 Ca 0.00 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.27 2h0r s THR 99 Cb 0.00 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 2h0r s THR 99 CO 0.00 -0.32 1.58 -0.25 -0.54 0.00 0.00 174.62 175.10 2h0r h TRP 100 N 1.11 -1.18 -1.22 3.99 7.01 -1.94 -1.56 115.95 122.16 2h0r h TRP 100 Ca -0.51 0.05 0.35 0.00 2.11 0.00 0.00 58.89 60.89 2h0r h TRP 100 Cb 1.23 0.55 -0.07 0.00 -2.10 0.00 0.00 29.16 28.77 2h0r h TRP 100 CO 0.45 -0.45 0.84 0.78 -2.79 0.00 0.00 178.44 177.27 2h0r h GLY 101 N -0.42 0.48 0.70 2.65 0.00 -1.95 -0.37 103.07 104.16 2h0r h GLY 101 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2h0r h GLY 101 CO -0.46 -0.08 -0.24 -1.14 0.00 0.00 0.00 176.54 174.62 2h0r n SER 102 N -4.34 0.69 -4.77 0.19 3.41 -0.59 -1.40 113.62 106.80 2h0r n SER 102 Ca 0.28 -0.59 -0.39 0.00 -0.26 0.00 0.00 58.87 57.91 2h0r n SER 102 Cb 1.22 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 65.21 2h0r n SER 102 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2h0r s GLN 103 N -2.61 4.08 0.32 4.33 -0.21 -0.15 -4.79 119.66 120.62 2h0r s GLN 103 Ca 0.23 2.10 -0.29 0.00 0.02 0.00 0.00 55.36 57.41 2h0r s GLN 103 Cb 0.19 -2.81 -0.11 0.00 1.00 0.00 0.00 33.01 31.28 2h0r s GLN 103 CO 0.54 -0.38 1.48 -0.51 -2.12 0.00 0.00 175.29 174.29 2h0r s LEU 104 N -2.29 4.36 0.41 2.90 1.43 -1.26 -1.12 118.68 123.10 2h0r s LEU 104 Ca 0.55 2.89 -0.24 0.00 -1.03 0.00 0.00 54.13 56.31 2h0r s LEU 104 Cb -0.37 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.09 2h0r s LEU 104 CO 0.47 -0.80 0.84 1.33 0.23 0.00 0.00 176.35 178.43 2h0r n VAL 105 N 1.33 2.24 0.09 -1.59 0.24 -0.16 -4.36 118.33 116.12 2h0r n VAL 105 Ca 0.04 -0.50 0.18 0.00 -2.04 0.00 0.00 64.34 62.02 2h0r n VAL 105 Cb 0.39 -0.92 0.73 0.00 -1.47 0.00 0.00 33.84 32.58 2h0r n VAL 105 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2h0r h ASP 106 N 1.26 0.00 -0.14 -1.34 5.19 -1.92 0.14 116.42 119.61 2h0r h ASP 106 Ca -0.43 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.92 2h0r h ASP 106 Cb 1.36 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 2h0r h ASP 106 CO 0.55 0.00 -0.17 -0.61 -3.12 0.00 0.00 179.24 175.89 2h0r h GLN 107 N 0.00 0.37 -0.29 3.56 5.75 -1.96 -2.43 115.11 120.11 2h0r h GLN 107 Ca 0.18 -0.21 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 2h0r h GLN 107 Cb 0.79 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 2h0r h GLN 107 CO -0.00 0.78 -0.32 0.82 -2.65 0.00 0.00 178.83 177.45 2h0r h ILE 108 N -0.01 1.30 -0.31 2.39 1.08 -1.34 -3.12 117.51 117.49 2h0r h ILE 108 Ca 0.02 -1.50 0.06 0.00 -0.39 0.00 0.00 64.86 63.04 2h0r h ILE 108 Cb 0.72 1.60 -0.05 0.00 -3.07 0.00 0.00 36.82 36.02 2h0r h ILE 108 CO 0.04 0.48 -0.01 -0.03 -0.69 0.00 0.00 178.15 177.95 2h0r h MET 109 N 0.47 0.08 -0.14 2.37 4.05 -0.82 0.26 114.93 121.20 2h0r h MET 109 Ca 0.04 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2h0r h MET 109 Cb 0.90 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 2h0r h MET 109 CO 0.08 0.05 0.07 0.22 0.23 0.00 0.00 176.91 177.56 2h0r h ASP 110 N 0.08 0.10 -0.07 1.39 -0.00 -1.47 0.37 116.42 116.81 2h0r h ASP 110 Ca 0.15 0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.20 2h0r h ASP 110 Cb 0.21 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.50 2h0r h ASP 110 CO -0.26 0.08 -0.17 -0.61 -0.00 0.00 0.00 179.24 178.28 2h0r h GLN 111 N 0.15 -0.15 -0.88 0.28 5.75 -1.38 -0.57 115.11 118.30 2h0r h GLN 111 Ca 0.06 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.71 2h0r h GLN 111 Cb 0.01 0.03 -0.15 0.00 1.07 0.00 0.00 27.48 28.45 2h0r h GLN 111 CO -0.04 -0.10 -0.36 0.28 -2.65 0.00 0.00 178.83 175.96 2h0r h VAL 112 N -0.16 0.05 -0.32 2.39 2.07 -0.48 0.41 116.25 120.22 2h0r h VAL 112 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2h0r h VAL 112 Cb 0.20 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2h0r h VAL 112 CO -0.15 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.11 2h0r h VAL 113 N -0.04 1.15 0.00 2.57 2.07 -0.02 -0.43 116.25 121.54 2h0r h VAL 113 Ca 0.32 -0.50 -0.26 0.00 0.82 0.00 0.00 66.70 67.08 2h0r h VAL 113 Cb 0.59 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2h0r h VAL 113 CO -0.90 0.18 -1.52 0.71 0.02 0.00 0.00 177.57 176.06 2h0r h THR 114 N 0.45 0.99 -0.01 2.57 1.35 0.39 -3.33 112.91 115.31 2h0r h THR 114 Ca 0.11 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2h0r h THR 114 Cb 0.16 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2h0r h THR 114 CO -0.01 0.56 -0.23 0.29 -0.25 0.00 0.00 175.52 175.89 2h0r n LYS 115 N -3.09 1.23 -3.69 4.72 5.02 -0.01 -4.98 118.16 117.36 2h0r n LYS 115 Ca -0.13 -0.84 -0.32 0.00 -2.02 0.00 0.00 58.31 55.01 2h0r n LYS 115 Cb 1.01 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.57 2h0r n LYS 115 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2h0r n HIS 116 N -0.15 -1.91 -2.76 2.13 8.25 -0.25 -4.98 115.22 115.54 2h0r n HIS 116 Ca 0.13 0.45 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 2h0r n HIS 116 Cb 0.40 -3.40 -0.06 0.00 1.12 0.00 0.00 29.99 28.05 2h0r n HIS 116 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2h0r s ILE 117 N -3.44 4.19 -0.10 1.59 1.01 -0.71 -5.00 121.20 118.74 2h0r s ILE 117 Ca 0.46 1.69 -0.30 0.00 0.00 0.00 0.00 60.65 62.50 2h0r s ILE 117 Cb -0.17 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2h0r s ILE 117 CO 0.87 0.02 1.31 -0.75 0.00 0.00 0.00 174.94 176.39 2h0r s LYS 118 N -2.37 4.27 -0.12 2.79 2.47 -1.25 -4.91 119.74 120.63 2h0r s LYS 118 Ca 0.54 1.77 -0.12 0.00 -1.56 0.00 0.00 55.97 56.60 2h0r s LYS 118 Cb -0.17 -3.70 -0.05 0.00 -1.46 0.00 0.00 37.83 32.46 2h0r s LYS 118 CO 0.22 -0.63 0.28 0.42 0.16 0.00 0.00 175.35 175.80 2h0r s ILE 119 N 3.02 5.29 -0.14 5.43 1.01 -1.26 -1.58 121.20 132.97 2h0r s ILE 119 Ca 0.59 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.78 2h0r s ILE 119 Cb -0.25 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2h0r s ILE 119 CO 0.20 0.48 -0.19 -0.69 0.00 0.00 0.00 174.94 174.74 2h0r s VAL 120 N -0.21 2.34 -0.37 2.92 1.01 -0.44 -4.98 120.40 120.67 2h0r s VAL 120 Ca 0.17 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 2h0r s VAL 120 Cb -0.14 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2h0r s VAL 120 CO 0.06 0.53 0.21 -1.81 0.00 0.00 0.00 175.10 174.09 2h0r s ASP 121 N 0.77 5.74 0.51 3.32 1.01 -1.26 -1.64 116.67 125.11 2h0r s ASP 121 Ca -0.07 -0.96 -0.01 0.00 0.71 0.00 0.00 52.55 52.22 2h0r s ASP 121 Cb -0.16 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.76 2h0r s ASP 121 CO -0.00 -0.38 0.75 -1.59 0.21 0.00 0.00 175.17 174.16 2h0r s LYS 122 N 1.56 2.85 -0.06 8.23 -2.85 -0.33 -4.46 119.74 124.69 2h0r s LYS 122 Ca 0.02 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2h0r s LYS 122 Cb -0.19 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.10 2h0r s LYS 122 CO 0.07 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.43 2h0r n GLY 123 N -2.26 0.42 0.37 0.59 0.00 -1.26 -0.70 105.19 102.34 2h0r n GLY 123 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2h0r n GLY 123 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2h0r h PHE 124 N 0.00 1.14 -3.50 1.61 3.57 -1.77 -3.34 116.94 114.65 2h0r h PHE 124 Ca -0.01 0.03 -0.53 0.00 3.53 0.00 0.00 57.97 60.99 2h0r h PHE 124 Cb 0.26 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2h0r h PHE 124 CO 0.16 0.63 0.20 -0.51 -2.23 0.00 0.00 178.31 176.55 2h0r s LEU 125 N -10.07 4.52 0.36 0.59 1.43 -1.26 -4.42 118.68 109.83 2h0r s LEU 125 Ca -0.12 1.59 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 2h0r s LEU 125 Cb 0.19 -3.32 0.68 0.00 0.03 0.00 0.00 46.19 43.78 2h0r s LEU 125 CO 0.81 0.09 1.91 0.74 0.23 0.00 0.00 176.35 180.13 2h0r h THR 126 N 3.75 1.18 -0.62 5.49 2.02 -1.95 -3.25 112.91 119.52 2h0r h THR 126 Ca -0.45 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2h0r h THR 126 Cb 1.21 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2h0r h THR 126 CO 0.69 0.23 0.00 -0.90 0.37 0.00 0.00 175.52 175.91 2h0r n ASP 127 N -4.32 3.96 -3.54 4.18 3.85 -1.26 -1.36 116.55 118.07 2h0r n ASP 127 Ca 0.01 -2.21 -0.17 0.00 -0.71 0.00 0.00 54.79 51.71 2h0r n ASP 127 Cb 0.21 -0.50 -0.06 0.00 -1.35 0.00 0.00 41.12 39.42 2h0r n ASP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2h0r s ARG 128 N -1.49 1.01 0.15 0.11 1.70 -1.23 -4.84 118.95 114.36 2h0r s ARG 128 Ca 0.45 0.36 -0.25 0.00 -0.47 0.00 0.00 55.73 55.82 2h0r s ARG 128 Cb 0.27 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 35.05 2h0r s ARG 128 CO 0.26 -0.29 0.76 -2.00 -1.08 0.00 0.00 175.30 172.95 2h0r s GLU 129 N -0.95 4.54 -0.16 3.89 2.56 -1.26 -4.75 118.70 122.57 2h0r s GLU 129 Ca -0.09 1.13 0.02 0.00 0.00 0.00 0.00 54.97 56.02 2h0r s GLU 129 Cb -0.01 -3.27 0.01 0.00 2.00 0.00 0.00 34.13 32.87 2h0r s GLU 129 CO 0.08 0.55 -0.21 0.71 -0.56 0.00 0.00 175.26 175.84 2h0r s TYR 130 N -1.06 2.67 -0.18 5.30 1.51 -1.26 -1.16 117.35 123.16 2h0r s TYR 130 Ca 0.36 -1.45 -0.18 0.00 -1.01 0.00 0.00 57.07 54.79 2h0r s TYR 130 Cb -0.23 -1.83 -0.15 0.00 -0.11 0.00 0.00 41.96 39.64 2h0r s TYR 130 CO 0.26 -0.69 0.15 1.88 -1.11 0.00 0.00 175.55 176.03 2h0r h TYR 131 N 7.60 0.00 -4.12 2.71 0.05 -1.90 -3.43 116.97 117.89 2h0r h TYR 131 Ca -0.38 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 57.86 2h0r h TYR 131 Cb 1.17 0.00 0.13 0.00 1.01 0.00 0.00 36.73 39.04 2h0r h TYR 131 CO 0.47 1.01 0.47 0.45 -1.05 0.00 0.00 178.16 179.51 2h0r s SER 132 N -6.47 4.89 0.00 3.88 0.15 -1.26 -4.16 113.70 110.74 2h0r s SER 132 Ca -0.23 2.43 0.28 0.00 0.70 0.00 0.00 55.95 59.13 2h0r s SER 132 Cb 0.04 -2.60 1.08 0.00 -1.71 0.00 0.00 66.02 62.83 2h0r s SER 132 CO 0.48 -1.80 1.77 0.00 1.20 0.00 0.00 173.24 174.89 2h0r n ALA 133 N -1.86 2.86 0.02 5.45 0.00 -1.26 -3.74 120.51 121.98 2h0r n ALA 133 Ca 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 2h0r n ALA 133 Cb 0.49 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 2h0r n ALA 133 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2h0r h PHE 134 N 0.68 0.00 -1.49 0.00 0.04 -1.91 -3.42 116.94 110.83 2h0r h PHE 134 Ca 0.00 0.00 0.31 0.00 2.80 0.00 0.00 57.97 61.08 2h0r h PHE 134 Cb 0.41 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.43 2h0r h PHE 134 CO 0.00 0.75 0.81 -3.38 -0.60 0.00 0.00 178.31 175.89 2h0r s HIS 135 N -2.80 -0.06 1.10 -0.55 -3.43 -1.25 -0.79 115.29 107.52 2h0r s HIS 135 Ca -0.03 -0.05 -0.16 0.00 -0.80 0.00 0.00 55.06 54.03 2h0r s HIS 135 Cb 0.08 0.55 0.24 0.00 -1.43 0.00 0.00 32.58 32.02 2h0r s HIS 135 CO 0.81 -0.29 1.10 0.16 -2.00 0.00 0.00 174.74 174.52 2h0r s ASP 136 N -2.89 1.75 0.55 7.38 3.84 -0.76 -4.18 116.67 122.36 2h0r s ASP 136 Ca 0.14 0.91 0.33 0.00 -0.00 0.00 0.00 52.55 53.93 2h0r s ASP 136 Cb 0.04 -1.38 1.49 0.00 -1.38 0.00 0.00 42.92 41.69 2h0r s ASP 136 CO -0.04 -3.64 2.04 0.16 -0.00 0.00 0.00 175.17 173.69 2h0r h ILE 137 N -2.25 0.15 0.00 2.11 3.07 -1.51 -1.58 117.51 117.51 2h0r h ILE 137 Ca -0.50 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.38 2h0r h ILE 137 Cb 1.32 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2h0r h ILE 137 CO 0.47 0.05 -0.72 0.79 -1.05 0.00 0.00 178.15 177.68 2h0r n TRP 138 N -3.20 0.22 -3.14 0.16 7.02 -1.26 -4.95 117.44 112.28 2h0r n TRP 138 Ca -0.00 0.06 -0.21 0.00 -1.02 0.00 0.00 57.50 56.33 2h0r n TRP 138 Cb 0.28 -0.39 0.05 0.00 -2.42 0.00 0.00 31.31 28.82 2h0r n TRP 138 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2h0r n ASN 139 N -1.79 -5.77 -0.02 -0.99 2.85 -0.59 -4.95 115.26 103.99 2h0r n ASN 139 Ca 0.04 -0.34 -0.01 0.00 -0.11 0.00 0.00 54.58 54.15 2h0r n ASN 139 Cb 0.39 -4.52 -0.00 0.00 1.24 0.00 0.00 39.78 36.89 2h0r n ASN 139 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2h0r n PHE 140 N -4.52 0.17 -2.90 1.20 0.99 -1.26 -4.90 117.46 106.23 2h0r n PHE 140 Ca -0.06 0.07 -0.41 0.00 -0.00 0.00 0.00 57.45 57.05 2h0r n PHE 140 Cb 0.59 -0.31 -0.04 0.00 -1.00 0.00 0.00 39.48 38.71 2h0r n PHE 140 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 2h0r s HIS 141 N -1.32 3.38 0.21 1.38 2.46 -1.26 -4.98 115.29 115.16 2h0r s HIS 141 Ca -0.04 1.20 0.05 0.00 0.47 0.00 0.00 55.06 56.74 2h0r s HIS 141 Cb 0.01 -3.01 -0.03 0.00 -0.13 0.00 0.00 32.58 29.41 2h0r s HIS 141 CO 0.06 -0.29 0.30 0.15 -2.47 0.00 0.00 174.74 172.49 2h0r s LYS 142 N 2.36 3.31 0.61 2.88 3.01 -1.26 -1.83 119.74 128.81 2h0r s LYS 142 Ca 0.37 -0.78 0.05 0.00 -1.01 0.00 0.00 55.97 54.59 2h0r s LYS 142 Cb -0.16 -2.84 0.09 0.00 -1.01 0.00 0.00 37.83 33.91 2h0r s LYS 142 CO 0.11 0.45 0.84 0.95 0.51 0.00 0.00 175.35 178.20 2h0r s THR 143 N -1.93 2.32 0.59 2.17 -4.23 0.03 -4.92 115.64 109.66 2h0r s THR 143 Ca 0.34 -0.81 0.34 0.00 -1.18 0.00 0.00 61.69 60.38 2h0r s THR 143 Cb -0.09 -2.51 0.49 0.00 1.34 0.00 0.00 72.50 71.73 2h0r s THR 143 CO 0.28 0.00 1.49 0.44 -0.54 0.00 0.00 174.62 176.29 2h0r h ASP 144 N -0.04 0.00 0.08 3.99 5.19 -1.89 -3.37 116.42 120.38 2h0r h ASP 144 Ca -0.35 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 2h0r h ASP 144 Cb 1.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 2h0r h ASP 144 CO 0.43 0.00 -0.27 -0.03 -3.12 0.00 0.00 179.24 176.24 2h0r h MET 145 N 0.00 -0.39 -0.92 3.56 4.05 -1.87 -0.32 114.93 119.04 2h0r h MET 145 Ca 0.57 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 60.03 2h0r h MET 145 Cb 2.85 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 33.70 2h0r h MET 145 CO -0.01 -0.26 0.60 -0.97 0.23 0.00 0.00 176.91 176.50 2h0r h ASN 146 N -0.40 1.06 -0.65 1.39 -1.24 -1.89 -1.10 115.58 112.75 2h0r h ASN 146 Ca -0.01 -0.04 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 2h0r h ASN 146 Cb 0.40 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2h0r h ASN 146 CO -0.14 0.78 0.27 0.11 -1.29 0.00 0.00 177.43 177.16 2h0r h LYS 147 N 1.25 0.97 0.27 6.67 1.79 -1.74 -2.08 116.57 123.70 2h0r h LYS 147 Ca 0.33 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2h0r h LYS 147 Cb -0.13 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.36 2h0r h LYS 147 CO -0.07 0.81 -0.17 -0.92 -1.08 0.00 0.00 179.45 178.01 2h0r h TYR 148 N 0.92 -0.46 -0.69 -1.35 5.03 0.10 -1.80 116.97 118.73 2h0r h TYR 148 Ca 0.22 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.66 2h0r h TYR 148 Cb 0.19 0.16 -0.09 0.00 1.55 0.00 0.00 36.73 38.54 2h0r h TYR 148 CO 0.01 -0.27 0.20 -0.07 -1.32 0.00 0.00 178.16 176.71 2h0r h LEU 149 N -0.43 0.10 -0.54 2.82 3.38 -1.18 -1.47 115.31 117.98 2h0r h LEU 149 Ca -0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2h0r h LEU 149 Cb 0.37 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2h0r h LEU 149 CO 0.02 0.03 0.28 -0.33 0.09 0.00 0.00 178.44 178.53 2h0r h GLU 150 N 0.33 0.77 0.00 1.13 5.08 -1.00 -1.26 114.58 119.63 2h0r h GLU 150 Ca 0.37 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2h0r h GLU 150 Cb 0.58 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2h0r h GLU 150 CO -0.43 0.61 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.83 2h0r h LYS 151 N 0.73 0.00 -0.57 2.33 3.64 -0.41 -1.41 116.57 120.87 2h0r h LYS 151 Ca 0.19 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.30 2h0r h LYS 151 Cb 0.08 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.74 2h0r h LYS 151 CO -0.03 0.14 0.18 0.72 -2.27 0.00 0.00 179.45 178.20 2h0r n HIS 152 N -3.66 1.81 -3.92 1.91 8.25 -1.01 -4.96 115.22 113.65 2h0r n HIS 152 Ca -0.02 -1.55 -0.30 0.00 -0.26 0.00 0.00 57.72 55.59 2h0r n HIS 152 Cb 0.26 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 30.76 2h0r n HIS 152 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2h0r n HIS 153 N -0.95 -2.22 -2.36 4.41 8.25 -0.53 -4.77 115.22 117.04 2h0r n HIS 153 Ca 0.41 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 58.34 2h0r n HIS 153 Cb 1.25 -3.94 -0.03 0.00 1.12 0.00 0.00 29.99 28.38 2h0r n HIS 153 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2h0r s THR 154 N -3.35 3.64 0.00 1.59 2.01 -0.51 -1.19 115.64 117.83 2h0r s THR 154 Ca 0.59 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.91 2h0r s THR 154 Cb -0.30 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.37 2h0r s THR 154 CO 0.84 0.18 0.02 -0.90 -0.69 0.00 0.00 174.62 174.07 2h0r n ASP 155 N 2.93 0.05 -3.94 3.53 3.85 -0.92 -4.79 116.55 117.27 2h0r n ASP 155 Ca 0.06 -0.29 -0.19 0.00 -0.71 0.00 0.00 54.79 53.66 2h0r n ASP 155 Cb 0.45 0.33 -0.16 0.00 -1.35 0.00 0.00 41.12 40.39 2h0r n ASP 155 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 2h0r s GLU 156 N -0.33 0.81 -0.11 0.11 -1.05 -1.10 -1.54 118.70 115.49 2h0r s GLU 156 Ca 0.00 -0.18 0.04 0.00 -0.15 0.00 0.00 54.97 54.68 2h0r s GLU 156 Cb 0.00 -0.78 0.00 0.00 -0.44 0.00 0.00 34.13 32.91 2h0r s GLU 156 CO 0.00 0.01 -0.23 0.08 0.95 0.00 0.00 175.26 176.07 2h0r s VAL 157 N 0.52 1.99 -0.09 1.83 1.01 0.74 -1.72 120.40 124.69 2h0r s VAL 157 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2h0r s VAL 157 Cb -0.11 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2h0r s VAL 157 CO 0.00 0.54 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 2h0r s TYR 158 N 0.47 2.78 -0.09 5.22 2.02 0.27 -0.49 117.35 127.54 2h0r s TYR 158 Ca -0.16 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2h0r s TYR 158 Cb -0.17 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2h0r s TYR 158 CO 0.06 0.04 -0.20 0.42 -1.57 0.00 0.00 175.55 174.30 2h0r s ILE 159 N -0.27 1.73 0.24 2.71 1.01 0.11 0.56 121.20 127.29 2h0r s ILE 159 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.87 2h0r s ILE 159 Cb -0.13 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2h0r s ILE 159 CO 0.03 0.49 0.03 0.68 0.00 0.00 0.00 174.94 176.17 2h0r s VAL 160 N 0.43 0.86 0.00 2.92 -7.23 0.11 -3.02 120.40 114.46 2h0r s VAL 160 Ca -0.17 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 2h0r s VAL 160 Cb -0.17 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2h0r s VAL 160 CO 0.07 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2h0r n GLY 161 N -0.44 0.17 3.02 2.32 0.00 -0.95 0.02 105.19 109.33 2h0r n GLY 161 Ca -0.03 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2h0r n GLY 161 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h0r s VAL 162 N 0.00 0.22 -0.10 1.61 -7.23 -0.45 -2.69 120.40 111.76 2h0r s VAL 162 Ca 0.00 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 2h0r s VAL 162 Cb 0.00 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2h0r s VAL 162 CO 0.00 -0.57 0.05 0.00 -0.31 0.00 0.00 175.10 174.27 2h0r s ALA 163 N -1.91 3.50 0.02 1.32 0.00 -1.26 -4.24 121.76 119.19 2h0r s ALA 163 Ca -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2h0r s ALA 163 Cb -0.07 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2h0r s ALA 163 CO -0.02 0.58 0.83 -0.11 0.00 0.00 0.00 175.76 177.03 2h0r n LEU 164 N 2.16 -0.15 0.00 0.00 7.94 0.09 -1.09 117.00 125.95 2h0r n LEU 164 Ca -0.19 0.86 0.11 0.00 -1.11 0.00 0.00 56.01 55.68 2h0r n LEU 164 Cb 0.54 -0.34 0.65 0.00 0.53 0.00 0.00 43.42 44.80 2h0r n LEU 164 CO 0.30 -0.51 0.85 -1.84 -1.11 0.00 0.00 177.39 175.08 2h0r n GLU 165 N -3.16 0.63 0.00 1.96 0.00 -1.26 -0.39 120.64 118.42 2h0r n GLU 165 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2h0r n GLU 165 Cb 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.98 2h0r n GLU 165 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2h0r n TYR 166 N -1.06 0.00 -0.36 -1.84 4.01 -0.25 -4.71 117.16 112.95 2h0r n TYR 166 Ca 0.16 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 2h0r n TYR 166 Cb 0.10 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.35 2h0r n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h0r h VAL 168 N 1.06 0.60 0.04 0.00 2.07 -1.55 0.64 116.25 119.10 2h0r h VAL 168 Ca 0.47 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.76 2h0r h VAL 168 Cb 0.38 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2h0r h VAL 168 CO -0.23 0.05 -0.20 0.50 0.02 0.00 0.00 177.57 177.71 2h0r h LYS 169 N -0.69 -0.33 -0.60 1.57 3.64 -0.40 -1.40 116.57 118.35 2h0r h LYS 169 Ca -0.06 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2h0r h LYS 169 Cb 0.50 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2h0r h LYS 169 CO 0.09 -0.22 0.39 0.00 -2.27 0.00 0.00 179.45 177.44 2h0r h ALA 170 N 0.52 0.76 -0.51 5.00 0.00 -0.81 0.29 119.26 124.50 2h0r h ALA 170 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2h0r h ALA 170 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2h0r h ALA 170 CO -0.16 0.18 0.06 1.15 0.00 0.00 0.00 179.25 180.47 2h0r h THR 171 N 0.80 1.24 0.06 0.00 2.02 -0.71 -1.29 112.91 115.02 2h0r h THR 171 Ca 0.22 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2h0r h THR 171 Cb -0.08 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2h0r h THR 171 CO -0.06 0.34 -0.03 0.00 0.37 0.00 0.00 175.52 176.14 2h0r h ALA 172 N 1.29 -0.07 -0.64 6.16 0.00 -0.45 -1.47 119.26 124.08 2h0r h ALA 172 Ca 0.16 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2h0r h ALA 172 Cb 0.39 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2h0r h ALA 172 CO 0.01 -0.41 0.29 0.82 0.00 0.00 0.00 179.25 179.96 2h0r h ILE 173 N -0.34 0.84 -0.17 0.00 2.04 -0.79 -1.61 117.51 117.48 2h0r h ILE 173 Ca -0.01 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2h0r h ILE 173 Cb 0.31 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2h0r h ILE 173 CO 0.01 0.09 0.05 0.28 0.00 0.00 0.00 178.15 178.58 2h0r h SER 174 N 0.51 0.04 -0.31 1.72 0.02 -1.15 -1.77 113.55 112.62 2h0r h SER 174 Ca 0.31 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 2h0r h SER 174 Cb 0.33 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2h0r h SER 174 CO -0.26 0.05 0.08 0.00 -1.14 0.00 0.00 176.83 175.56 2h0r h ALA 175 N 1.11 0.33 -0.42 3.77 0.00 -0.61 -2.70 119.26 120.75 2h0r h ALA 175 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2h0r h ALA 175 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2h0r h ALA 175 CO -0.08 -0.33 0.26 0.00 0.00 0.00 0.00 179.25 179.10 2h0r h ALA 176 N 1.22 0.53 0.00 0.00 0.00 -1.16 -1.93 119.26 117.92 2h0r h ALA 176 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2h0r h ALA 176 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h0r h ALA 176 CO -0.17 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.47 2h0r n GLU 177 N -4.77 0.01 -0.17 0.00 1.02 -0.68 -1.64 120.64 114.41 2h0r n GLU 177 Ca 0.01 0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.55 2h0r n GLU 177 Cb 0.04 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.14 2h0r n GLU 177 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2h0r n LEU 178 N -1.49 3.18 0.00 -4.62 4.77 -0.76 -4.95 117.00 113.12 2h0r n LEU 178 Ca 0.03 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 2h0r n LEU 178 Cb 0.13 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2h0r n LEU 178 CO 0.10 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2h0r n GLY 179 N 1.21 0.49 3.77 -0.72 0.00 -0.65 -5.08 105.19 104.22 2h0r n GLY 179 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2h0r n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h0r s TYR 180 N -2.11 3.55 -0.26 1.61 1.51 -1.00 -5.00 117.35 115.65 2h0r s TYR 180 Ca 0.00 1.73 -0.29 0.00 -1.01 0.00 0.00 57.07 57.50 2h0r s TYR 180 Cb 0.00 -3.09 -0.02 0.00 -0.11 0.00 0.00 41.96 38.74 2h0r s TYR 180 CO 0.00 -0.24 1.61 0.15 -1.11 0.00 0.00 175.55 175.95 2h0r s LYS 181 N -1.95 3.71 -0.15 -0.62 1.02 -0.59 -4.20 119.74 116.97 2h0r s LYS 181 Ca 0.50 1.54 -0.02 0.00 0.02 0.00 0.00 55.97 58.00 2h0r s LYS 181 Cb -0.24 -4.05 -0.02 0.00 -0.52 0.00 0.00 37.83 33.00 2h0r s LYS 181 CO 0.31 -1.40 -0.07 0.99 -0.92 0.00 0.00 175.35 174.26 2h0r s THR 182 N 5.44 3.61 -0.06 2.17 2.01 -1.26 -0.19 115.64 127.35 2h0r s THR 182 Ca 0.71 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.28 2h0r s THR 182 Cb -0.23 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.73 2h0r s THR 182 CO 0.30 0.51 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.70 2h0r s THR 183 N 0.34 1.28 -0.20 -0.82 2.01 0.35 -2.48 115.64 116.13 2h0r s THR 183 Ca -0.06 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 2h0r s THR 183 Cb -0.15 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 2h0r s THR 183 CO 0.04 0.38 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 2h0r s VAL 184 N 0.51 3.04 -0.89 3.82 1.01 -1.01 0.04 120.40 126.91 2h0r s VAL 184 Ca -0.13 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2h0r s VAL 184 Cb -0.15 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.03 2h0r s VAL 184 CO 0.04 0.46 1.03 -0.76 0.00 0.00 0.00 175.10 175.87 2h0r s LEU 185 N 1.27 5.46 0.25 3.92 1.43 -1.17 -2.16 118.68 127.67 2h0r s LEU 185 Ca 0.03 -2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 50.89 2h0r s LEU 185 Cb -0.14 -2.35 0.43 0.00 0.03 0.00 0.00 46.19 44.15 2h0r s LEU 185 CO -0.04 -0.95 1.61 -0.07 0.23 0.00 0.00 176.35 177.12 2h0r h LEU 186 N 9.79 -0.56 -0.90 1.79 3.38 -0.72 0.13 115.31 128.23 2h0r h LEU 186 Ca 0.13 0.23 0.23 0.00 0.09 0.00 0.00 57.88 58.56 2h0r h LEU 186 Cb 1.03 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 42.09 2h0r h LEU 186 CO 1.02 -0.24 0.36 0.44 0.09 0.00 0.00 178.44 180.11 2h0r h ASP 187 N 0.04 0.25 -0.24 -0.43 5.19 -1.60 -0.89 116.42 118.74 2h0r h ASP 187 Ca 0.42 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 57.00 2h0r h ASP 187 Cb 0.72 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2h0r h ASP 187 CO -0.78 -0.06 0.00 -1.22 -3.12 0.00 0.00 179.24 174.06 2h0r n TYR 188 N -5.10 0.42 -4.27 4.55 4.02 0.46 -4.86 117.16 112.38 2h0r n TYR 188 Ca 0.23 -0.19 -0.18 0.00 -0.01 0.00 0.00 57.90 57.75 2h0r n TYR 188 Cb 0.69 -0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.85 2h0r n TYR 188 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2h0r s THR 189 N -1.65 1.42 -0.01 -0.72 -4.23 -0.34 -2.23 115.64 107.89 2h0r s THR 189 Ca 0.17 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2h0r s THR 189 Cb 0.10 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.23 2h0r s THR 189 CO 0.10 -0.50 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.50 2h0r s ARG 190 N -3.06 0.44 0.43 3.99 1.81 -1.09 -4.97 118.95 116.50 2h0r s ARG 190 Ca 0.13 -0.15 -0.18 0.00 -1.72 0.00 0.00 55.73 53.82 2h0r s ARG 190 Cb -0.03 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 33.93 2h0r s ARG 190 CO 0.04 0.07 0.90 -1.25 -0.68 0.00 0.00 175.30 174.37 2h0r s PRO 191 N 0.09 4.07 0.17 3.54 0.04 -1.26 -0.73 135.00 140.92 2h0r s PRO 191 Ca -0.01 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 2h0r s PRO 191 Cb -0.04 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.30 2h0r s PRO 191 CO -0.00 -0.05 1.42 0.82 0.04 0.00 0.00 177.00 179.23 2h0r h ILE 192 N 1.59 1.37 -2.97 0.56 2.04 -1.93 -3.38 117.51 114.79 2h0r h ILE 192 Ca -0.48 -2.13 -0.57 0.00 1.00 0.00 0.00 64.86 62.68 2h0r h ILE 192 Cb 1.18 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 39.32 2h0r h ILE 192 CO 0.62 0.64 0.90 -0.55 0.00 0.00 0.00 178.15 179.77 2h0r s SER 193 N -6.98 6.92 0.00 1.72 0.15 -1.26 -4.64 113.70 109.60 2h0r s SER 193 Ca -0.06 1.56 0.18 0.00 0.70 0.00 0.00 55.95 58.34 2h0r s SER 193 Cb 0.10 -2.54 0.88 0.00 -1.71 0.00 0.00 66.02 62.76 2h0r s SER 193 CO 0.84 -0.80 1.56 -0.90 1.20 0.00 0.00 173.24 175.14 2h0r n ASP 194 N 6.74 0.00 -4.63 5.45 5.75 -1.26 -4.70 116.55 123.91 2h0r n ASP 194 Ca 0.14 0.15 -0.43 0.00 -0.01 0.00 0.00 54.79 54.64 2h0r n ASP 194 Cb 0.45 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 2h0r n ASP 194 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2h0r s ASP 195 N -2.68 6.10 0.61 -1.12 3.68 -1.26 -4.86 116.67 117.13 2h0r s ASP 195 Ca 0.15 1.95 0.34 0.00 2.13 0.00 0.00 52.55 57.12 2h0r s ASP 195 Cb 0.12 -2.52 1.99 0.00 -1.45 0.00 0.00 42.92 41.06 2h0r s ASP 195 CO 0.29 -1.44 2.28 -0.65 0.13 0.00 0.00 175.17 175.79 2h0r h PRO 196 N 12.08 0.00 0.24 4.34 0.11 -2.04 -2.93 132.00 143.80 2h0r h PRO 196 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 2h0r h PRO 196 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2h0r h PRO 196 CO 0.98 0.01 -0.12 1.49 -0.21 0.00 0.00 178.00 180.15 2h0r h GLU 197 N 0.00 -0.31 -1.15 1.05 4.57 -1.95 -3.37 114.58 113.43 2h0r h GLU 197 Ca -0.00 0.02 0.38 0.00 -1.18 0.00 0.00 59.36 58.58 2h0r h GLU 197 Cb 0.03 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 28.55 2h0r h GLU 197 CO 0.00 0.05 0.71 0.28 -1.18 0.00 0.00 179.01 178.87 2h0r h VAL 198 N -0.77 0.22 0.00 0.32 2.07 -1.88 0.53 116.25 116.74 2h0r h VAL 198 Ca -0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2h0r h VAL 198 Cb 0.50 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2h0r h VAL 198 CO 0.05 0.03 0.00 -0.38 0.02 0.00 0.00 177.57 177.30 2h0r n ILE 199 N -4.85 0.00 -0.02 4.57 5.41 -1.26 -2.44 119.36 120.77 2h0r n ILE 199 Ca 0.34 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 64.07 2h0r n ILE 199 Cb 1.20 -0.32 -0.01 0.00 -0.71 0.00 0.00 39.64 39.80 2h0r n ILE 199 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2h0r n ASN 200 N -0.16 3.47 0.01 4.38 3.02 0.18 -3.68 115.26 122.47 2h0r n ASN 200 Ca 0.00 -0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.43 2h0r n ASN 200 Cb 0.00 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 2h0r n ASN 200 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2h0r h LYS 201 N -0.01 0.06 -0.84 3.52 1.57 -1.66 0.61 116.57 119.83 2h0r h LYS 201 Ca -0.07 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2h0r h LYS 201 Cb 1.10 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2h0r h LYS 201 CO -0.01 0.04 0.55 0.28 -0.57 0.00 0.00 179.45 179.74 2h0r h VAL 202 N 0.06 1.21 0.02 0.50 2.07 -1.79 0.06 116.25 118.39 2h0r h VAL 202 Ca 0.03 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2h0r h VAL 202 Cb 0.02 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2h0r h VAL 202 CO -0.03 0.21 -0.01 0.50 0.02 0.00 0.00 177.57 178.25 2h0r h LYS 203 N 1.13 -0.03 -0.52 1.57 3.64 -1.49 -3.04 116.57 117.83 2h0r h LYS 203 Ca 0.31 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 2h0r h LYS 203 Cb -0.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2h0r h LYS 203 CO -0.07 0.39 -0.03 1.49 -2.27 0.00 0.00 179.45 178.96 2h0r h GLU 204 N -0.46 0.90 -0.33 1.90 4.81 0.33 -3.02 114.58 118.70 2h0r h GLU 204 Ca -0.00 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2h0r h GLU 204 Cb 0.43 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2h0r h GLU 204 CO 0.00 0.92 0.10 1.49 -0.73 0.00 0.00 179.01 180.79 2h0r h GLU 205 N 0.82 0.47 -0.33 1.92 4.81 -1.03 -2.16 114.58 119.10 2h0r h GLU 205 Ca 0.15 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 2h0r h GLU 205 Cb 0.54 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2h0r h GLU 205 CO 0.03 0.42 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.27 2h0r h LEU 206 N 0.47 0.91 -1.29 1.64 3.38 -1.41 -2.95 115.31 116.06 2h0r h LEU 206 Ca 0.11 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 2h0r h LEU 206 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2h0r h LEU 206 CO -0.01 1.21 -0.34 0.11 0.09 0.00 0.00 178.44 179.50 2h0r h LYS 207 N 0.62 0.00 -0.57 1.13 1.57 -1.49 -0.34 116.57 117.49 2h0r h LYS 207 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2h0r h LYS 207 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2h0r h LYS 207 CO 0.09 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2h0r n ALA 208 N -2.42 2.27 -0.62 3.86 0.00 -0.84 -1.06 120.51 121.70 2h0r n ALA 208 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2h0r n ALA 208 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2h0r n ALA 208 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2h0r n HIS 209 N -0.10 0.00 -3.07 0.00 8.25 -0.27 -5.00 115.22 115.03 2h0r n HIS 209 Ca 0.00 -0.12 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 2h0r n HIS 209 Cb 0.14 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.26 2h0r n HIS 209 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2h0r n ASN 210 N -0.12 -5.44 -4.56 0.41 3.02 -0.22 -4.92 115.26 103.44 2h0r n ASN 210 Ca 0.00 -0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 53.85 2h0r n ASN 210 Cb 0.31 -4.43 -0.09 0.00 -0.61 0.00 0.00 39.78 34.97 2h0r n ASN 210 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h0r s ILE 211 N -3.10 5.12 0.07 2.41 1.01 -0.46 -4.70 121.20 121.56 2h0r s ILE 211 Ca 0.31 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 2h0r s ILE 211 Cb -0.15 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2h0r s ILE 211 CO 0.38 -0.10 1.12 0.54 0.00 0.00 0.00 174.94 176.88 2h0r s ASN 212 N 1.73 7.19 -0.26 3.58 2.20 -1.03 -3.41 114.94 124.93 2h0r s ASN 212 Ca 0.14 1.94 -0.09 0.00 -0.94 0.00 0.00 52.86 53.91 2h0r s ASN 212 Cb -0.16 -2.58 -0.04 0.00 -2.00 0.00 0.00 41.25 36.47 2h0r s ASN 212 CO 0.12 -0.37 0.13 -0.69 -2.94 0.00 0.00 177.10 173.35 2h0r s VAL 213 N 0.80 4.81 0.29 3.54 1.01 -1.26 -2.41 120.40 127.19 2h0r s VAL 213 Ca 0.55 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.60 2h0r s VAL 213 Cb -0.27 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2h0r s VAL 213 CO 0.30 0.30 -0.06 0.68 0.00 0.00 0.00 175.10 176.31 2h0r s VAL 214 N 1.68 1.75 0.00 2.92 -7.23 -0.92 -5.02 120.40 113.58 2h0r s VAL 214 Ca 0.07 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2h0r s VAL 214 Cb -0.16 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2h0r s VAL 214 CO 0.07 -0.27 0.03 0.47 -0.31 0.00 0.00 175.10 175.09 2h0r n ASP 215 N -0.63 0.00 -0.34 4.85 8.00 -1.26 -0.55 116.55 126.62 2h0r n ASP 215 Ca -0.05 0.03 0.15 0.00 0.71 0.00 0.00 54.79 55.62 2h0r n ASP 215 Cb 0.63 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.38 2h0r n ASP 215 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98