#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 2.97 -0.04 0.03 3.01 -1.26 -2.24 119.74 122.21 2h0r s LYS 2 Ca 0.00 -0.48 -0.00 0.00 -1.01 0.00 0.00 55.97 54.48 2h0r s LYS 2 Cb 0.00 -2.80 0.03 0.00 -1.01 0.00 0.00 37.83 34.05 2h0r s LYS 2 CO 0.00 0.66 -0.00 0.99 0.51 0.00 0.00 175.35 177.51 2h0r s THR 3 N -1.06 0.24 -0.21 2.17 2.01 -1.02 -1.90 115.64 115.86 2h0r s THR 3 Ca 0.19 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.14 2h0r s THR 3 Cb -0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2h0r s THR 3 CO 0.09 0.18 0.30 -0.22 -0.69 0.00 0.00 174.62 174.28 2h0r s LEU 4 N 1.30 4.14 -0.24 4.42 2.96 -1.01 -0.53 118.68 129.72 2h0r s LEU 4 Ca -0.06 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 2h0r s LEU 4 Cb -0.13 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 2h0r s LEU 4 CO -0.02 -0.01 0.05 -0.63 -1.32 0.00 0.00 176.35 174.42 2h0r s ILE 5 N 1.17 4.19 -0.24 6.68 1.01 0.17 -0.64 121.20 133.54 2h0r s ILE 5 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 2h0r s ILE 5 Cb -0.14 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2h0r s ILE 5 CO 0.06 0.36 0.13 -0.69 0.00 0.00 0.00 174.94 174.81 2h0r s VAL 6 N 1.51 5.05 -0.27 2.92 1.01 0.12 -1.37 120.40 129.36 2h0r s VAL 6 Ca 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 2h0r s VAL 6 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2h0r s VAL 6 CO 0.03 0.34 0.03 -0.69 0.00 0.00 0.00 175.10 174.80 2h0r s VAL 7 N 1.20 3.59 -1.35 2.92 1.01 0.53 -0.85 120.40 127.45 2h0r s VAL 7 Ca 0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2h0r s VAL 7 Cb -0.14 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2h0r s VAL 7 CO 0.05 0.16 0.95 0.47 0.00 0.00 0.00 175.10 176.73 2h0r n ASP 8 N 4.80 -3.47 -4.52 3.32 9.92 -0.53 -1.64 116.55 124.42 2h0r n ASP 8 Ca -0.15 -0.70 -0.43 0.00 -0.53 0.00 0.00 54.79 52.97 2h0r n ASP 8 Cb 0.48 -4.47 -0.01 0.00 -0.64 0.00 0.00 41.12 36.48 2h0r n ASP 8 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2h0r s MET 9 N -6.09 3.89 0.05 -1.24 -1.94 -1.26 -4.56 119.30 108.14 2h0r s MET 9 Ca 0.30 -1.96 0.04 0.00 -1.71 0.00 0.00 55.69 52.36 2h0r s MET 9 Cb -0.14 -5.28 -0.02 0.00 2.01 0.00 0.00 34.83 31.39 2h0r s MET 9 CO 0.78 -2.04 -0.11 -0.65 -0.01 0.00 0.00 175.02 172.99 2h0r s GLN 10 N 3.40 0.70 0.27 2.03 -0.21 -1.26 -1.91 119.66 122.67 2h0r s GLN 10 Ca 0.46 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 55.08 2h0r s GLN 10 Cb 0.00 -0.61 0.62 0.00 1.00 0.00 0.00 33.01 34.02 2h0r s GLN 10 CO -0.00 0.14 1.70 -0.91 -2.12 0.00 0.00 175.29 174.10 2h0r h ASN 11 N 4.67 0.26 0.76 5.90 2.35 -1.16 0.13 115.58 128.48 2h0r h ASN 11 Ca -0.37 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2h0r h ASN 11 Cb 1.19 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2h0r h ASN 11 CO 0.42 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.69 2h0r n ASP 12 N -5.06 0.43 -0.12 5.81 8.00 -0.50 -1.65 116.55 123.46 2h0r n ASP 12 Ca 0.19 0.59 -0.18 0.00 0.71 0.00 0.00 54.79 56.10 2h0r n ASP 12 Cb 0.56 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 2h0r n ASP 12 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2h0r n PHE 13 N -1.96 0.00 -0.07 1.24 3.72 0.14 -2.18 117.46 118.34 2h0r n PHE 13 Ca 0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.21 2h0r n PHE 13 Cb 0.24 -0.89 -0.12 0.00 -0.94 0.00 0.00 39.48 37.77 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 -3.38 1.62 -2.47 4.37 2.08 0.21 1.00 119.36 122.78 2h0r n ILE 14 Ca -0.43 -0.37 -0.41 0.00 0.56 0.00 0.00 62.75 62.11 2h0r n ILE 14 Cb 0.92 -1.83 -0.04 0.00 -0.75 0.00 0.00 39.64 37.93 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 -6.98 7.23 0.51 4.38 0.15 -0.66 -4.05 113.70 114.29 2h0r s SER 15 Ca -0.29 2.19 0.26 0.00 0.70 0.00 0.00 55.95 58.81 2h0r s SER 15 Cb 0.08 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 63.14 2h0r s SER 15 CO 0.64 -0.22 1.95 -0.65 1.20 0.00 0.00 173.24 176.16 2h0r h PRO 16 N 4.61 0.07 -0.00 5.44 0.11 -1.92 0.13 132.00 140.44 2h0r h PRO 16 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2h0r h PRO 16 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2h0r h PRO 16 CO 0.71 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.82 2h0r n LEU 17 N -4.37 0.01 -4.79 2.35 4.77 -1.26 -4.77 117.00 108.95 2h0r n LEU 17 Ca 0.13 -0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2h0r n LEU 17 Cb 0.70 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 2h0r n LEU 17 CO 0.37 0.00 0.73 -0.83 -1.33 0.00 0.00 177.39 176.33 2h0r s GLY 18 N -1.90 2.59 0.00 -0.72 0.00 0.44 -4.97 107.32 102.76 2h0r s GLY 18 Ca 0.43 0.66 0.28 0.00 0.00 0.00 0.00 44.72 46.10 2h0r s GLY 18 CO 0.33 1.02 1.78 -1.14 0.00 0.00 0.00 173.10 175.10 2h0r n SER 19 N -0.73 0.81 -3.18 1.64 3.41 -1.25 -4.01 113.62 110.30 2h0r n SER 19 Ca 0.08 -0.90 -0.21 0.00 -0.26 0.00 0.00 58.87 57.58 2h0r n SER 19 Cb 0.51 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.63 1.20 -4.67 1.04 7.94 -0.93 -4.91 117.00 116.05 2h0r n LEU 20 Ca 0.16 -5.01 -0.42 0.00 -1.11 0.00 0.00 56.01 49.62 2h0r n LEU 20 Cb 0.30 0.47 -0.03 0.00 0.53 0.00 0.00 43.42 44.69 2h0r n LEU 20 CO 0.22 2.21 1.17 -0.89 -1.11 0.00 0.00 177.39 178.99 2h0r s THR 21 N -2.25 3.92 -0.02 1.96 2.01 -1.22 -3.96 115.64 116.08 2h0r s THR 21 Ca 0.39 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 2h0r s THR 21 Cb 0.27 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2h0r s THR 21 CO -0.09 -0.07 1.16 -0.69 -0.69 0.00 0.00 174.62 174.24 2h0r s VAL 22 N 3.29 4.31 0.28 3.82 1.01 0.28 -5.00 120.40 128.38 2h0r s VAL 22 Ca 0.63 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.95 2h0r s VAL 22 Cb -0.28 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 2h0r s VAL 22 CO 0.23 0.05 1.45 -2.65 0.00 0.00 0.00 175.10 174.18 2h0r n PRO 23 N 4.65 2.29 -3.58 2.72 -0.02 -1.26 -2.68 135.00 137.12 2h0r n PRO 23 Ca 0.10 0.81 -0.23 0.00 -2.02 0.00 0.00 63.50 62.16 2h0r n PRO 23 Cb 0.47 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.72 -7.63 0.03 -0.52 4.76 -1.26 -4.78 118.16 110.48 2h0r n LYS 24 Ca 0.09 0.82 -0.01 0.00 -2.87 0.00 0.00 58.31 56.34 2h0r n LYS 24 Cb 0.34 -5.87 -0.01 0.00 -1.84 0.00 0.00 35.03 27.66 2h0r n LYS 24 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2h0r h GLY 25 N -2.53 -0.08 -0.45 0.72 0.00 -1.73 -3.33 103.07 95.66 2h0r h GLY 25 Ca -0.57 0.03 0.32 0.00 0.00 0.00 0.00 47.33 47.11 2h0r h GLY 25 CO 0.55 -0.03 0.71 0.83 0.00 0.00 0.00 176.54 178.61 2h0r h GLU 26 N -0.09 0.29 -0.89 4.80 3.07 -1.89 -0.53 114.58 119.33 2h0r h GLU 26 Ca -0.01 -0.02 0.26 0.00 -0.50 0.00 0.00 59.36 59.09 2h0r h GLU 26 Cb 0.06 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2h0r h GLU 26 CO 0.01 0.19 1.01 0.93 -1.40 0.00 0.00 179.01 179.75 2h0r h GLU 27 N 0.30 0.00 0.00 2.33 5.08 -1.97 0.54 114.58 120.86 2h0r h GLU 27 Ca 0.67 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.79 2h0r h GLU 27 Cb 1.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.05 2h0r h GLU 27 CO -0.36 0.00 -1.28 -0.07 -1.00 0.00 0.00 179.01 176.30 2h0r h LEU 28 N 0.00 0.00 -0.46 1.33 3.38 -1.30 -3.39 115.31 114.86 2h0r h LEU 28 Ca 0.42 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.48 2h0r h LEU 28 Cb 2.43 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 43.09 2h0r h LEU 28 CO -0.00 0.99 -0.37 0.40 0.09 0.00 0.00 178.44 179.54 2h0r h ILE 29 N 0.00 0.16 0.67 1.22 2.04 -0.08 -1.42 117.51 120.10 2h0r h ILE 29 Ca -0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2h0r h ILE 29 Cb 1.86 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2h0r h ILE 29 CO 0.11 0.00 -0.32 0.78 0.00 0.00 0.00 178.15 178.72 2h0r h ASN 30 N -0.25 -0.76 -0.59 1.72 2.35 -1.77 -1.84 115.58 114.44 2h0r h ASN 30 Ca 0.18 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.05 2h0r h ASN 30 Cb 0.56 0.20 -0.09 0.00 0.05 0.00 0.00 38.32 39.04 2h0r h ASN 30 CO -0.60 -0.38 0.08 -0.65 -1.65 0.00 0.00 177.43 174.23 2h0r h PRO 31 N -1.19 0.20 -0.28 0.81 0.11 -1.74 -0.62 132.00 129.29 2h0r h PRO 31 Ca -0.09 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.05 2h0r h PRO 31 Cb 0.71 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.74 2h0r h PRO 31 CO 0.15 0.13 0.05 0.82 -0.21 0.00 0.00 178.00 178.94 2h0r h ILE 32 N 0.20 0.87 -0.84 4.15 2.04 -1.32 -1.03 117.51 121.57 2h0r h ILE 32 Ca 0.31 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.19 2h0r h ILE 32 Cb 0.47 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2h0r h ILE 32 CO -0.44 0.03 0.51 -1.28 0.00 0.00 0.00 178.15 176.97 2h0r h SER 33 N 0.16 0.77 -0.44 1.72 0.87 -0.42 -1.63 113.55 114.58 2h0r h SER 33 Ca 0.13 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2h0r h SER 33 Cb 0.14 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2h0r h SER 33 CO -0.17 0.48 0.21 0.44 -0.53 0.00 0.00 176.83 177.25 2h0r h ASP 34 N 0.90 0.58 -0.44 6.23 3.32 -0.71 -2.77 116.42 123.54 2h0r h ASP 34 Ca 0.38 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.37 2h0r h ASP 34 Cb 0.23 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2h0r h ASP 34 CO -0.19 0.56 0.30 0.25 -1.72 0.00 0.00 179.24 178.43 2h0r h LEU 35 N 0.57 0.23 -0.68 1.55 5.85 -0.37 0.11 115.31 122.58 2h0r h LEU 35 Ca 0.15 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 2h0r h LEU 35 Cb 0.13 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2h0r h LEU 35 CO -0.02 0.15 -0.51 0.24 -0.34 0.00 0.00 178.44 177.96 2h0r h MET 36 N 0.26 0.40 0.00 1.25 2.86 -1.03 -3.21 114.93 115.47 2h0r h MET 36 Ca 0.20 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2h0r h MET 36 Cb 0.45 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2h0r h MET 36 CO -0.04 0.82 -1.29 1.04 1.06 0.00 0.00 176.91 178.49 2h0r n GLN 37 N -3.96 0.38 -1.52 1.72 6.02 -0.95 -4.91 117.38 114.17 2h0r n GLN 37 Ca -0.02 -0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 2h0r n GLN 37 Cb 0.56 -1.58 -0.12 0.00 1.02 0.00 0.00 30.24 30.12 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 -2.05 0.71 0.22 1.08 -0.08 0.34 -4.81 116.55 111.96 2h0r n ASP 38 Ca 0.00 -0.21 0.05 0.00 -1.51 0.00 0.00 54.79 53.13 2h0r n ASP 38 Cb 0.47 -1.10 0.49 0.00 2.34 0.00 0.00 41.12 43.32 2h0r n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2h0r h ALA 39 N 14.00 1.67 0.00 -1.67 0.00 -1.89 -2.64 119.26 128.73 2h0r h ALA 39 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2h0r h ALA 39 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2h0r h ALA 39 CO 1.33 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 180.58 2h0r n ASP 40 N -4.30 0.00 -0.00 0.00 8.00 -1.26 -2.21 116.55 116.78 2h0r n ASP 40 Ca -0.02 0.12 0.11 0.00 0.71 0.00 0.00 54.79 55.70 2h0r n ASP 40 Cb 0.26 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 2h0r n ASP 40 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2h0r n ARG 41 N -1.24 0.28 -3.67 -1.24 5.12 -0.99 -5.01 116.66 109.91 2h0r n ARG 41 Ca 0.04 -0.08 -0.23 0.00 -1.93 0.00 0.00 57.85 55.65 2h0r n ARG 41 Cb 0.05 -1.52 0.05 0.00 -1.16 0.00 0.00 32.46 29.89 2h0r n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2h0r n ASP 42 N -1.84 -3.36 -4.67 0.55 8.00 -0.94 -4.92 116.55 109.37 2h0r n ASP 42 Ca 0.01 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.38 2h0r n ASP 42 Cb 0.43 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.05 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 -3.44 1.96 0.08 1.24 0.23 -1.26 -4.44 118.94 113.31 2h0r s TRP 43 Ca 0.29 0.11 0.01 0.00 -2.03 0.00 0.00 56.10 54.48 2h0r s TRP 43 Cb -0.14 -3.98 -0.25 0.00 0.03 0.00 0.00 33.47 29.13 2h0r s TRP 43 CO 0.78 -4.15 1.13 1.25 0.96 0.00 0.00 176.95 176.92 2h0r h HIS 44 N 9.44 0.28 -3.25 -1.98 -0.00 -1.74 -3.48 115.15 114.43 2h0r h HIS 44 Ca -0.42 -0.20 -0.10 0.00 -0.00 0.00 0.00 60.37 59.65 2h0r h HIS 44 Cb 1.19 -0.01 -0.18 0.00 -0.00 0.00 0.00 27.41 28.42 2h0r h HIS 44 CO 0.87 1.17 -0.27 1.03 -0.00 0.00 0.00 177.93 180.74 2h0r s ARG 45 N -2.67 0.76 0.02 5.26 1.81 -1.15 -5.06 118.95 117.92 2h0r s ARG 45 Ca -0.03 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 53.63 2h0r s ARG 45 Cb 0.08 0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 34.89 2h0r s ARG 45 CO 0.85 -0.23 -0.22 0.42 -0.68 0.00 0.00 175.30 175.44 2h0r s ILE 46 N -2.21 1.77 -0.03 1.52 1.01 -1.26 -2.41 121.20 119.58 2h0r s ILE 46 Ca -0.07 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.48 2h0r s ILE 46 Cb -0.02 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.95 2h0r s ILE 46 CO -0.01 0.35 -0.06 -0.69 0.00 0.00 0.00 174.94 174.53 2h0r s VAL 47 N -0.67 0.60 -0.03 2.92 1.01 0.19 -3.87 120.40 120.55 2h0r s VAL 47 Ca 0.09 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2h0r s VAL 47 Cb -0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 2h0r s VAL 47 CO 0.01 0.21 -0.24 0.68 0.00 0.00 0.00 175.10 175.76 2h0r s VAL 48 N 0.37 1.88 -0.06 2.92 -7.23 -0.62 0.12 120.40 117.78 2h0r s VAL 48 Ca -0.05 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2h0r s VAL 48 Cb -0.09 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2h0r s VAL 48 CO 0.00 0.53 -0.17 0.42 -0.31 0.00 0.00 175.10 175.57 2h0r s THR 49 N -0.45 2.82 -0.09 5.32 -4.23 -0.03 -0.96 115.64 118.02 2h0r s THR 49 Ca 0.06 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 2h0r s THR 49 Cb -0.10 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 2h0r s THR 49 CO 0.00 0.58 -0.15 -0.13 -0.54 0.00 0.00 174.62 174.38 2h0r s ARG 50 N -0.52 3.00 -0.21 3.99 0.52 0.80 -1.46 118.95 125.07 2h0r s ARG 50 Ca 0.07 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 2h0r s ARG 50 Cb -0.12 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.87 2h0r s ARG 50 CO 0.01 0.37 1.06 0.34 0.02 0.00 0.00 175.30 177.10 2h0r s ASP 51 N -0.07 7.09 -0.42 0.23 2.15 -1.26 -0.49 116.67 123.91 2h0r s ASP 51 Ca -0.03 1.43 0.11 0.00 0.43 0.00 0.00 52.55 54.48 2h0r s ASP 51 Cb -0.14 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.31 2h0r s ASP 51 CO 0.04 -0.66 0.85 1.87 -0.17 0.00 0.00 175.17 177.10 2h0r n TRP 52 N 6.25 1.57 -2.54 -5.34 -0.00 0.11 -4.77 117.44 112.73 2h0r n TRP 52 Ca 0.12 -3.63 -0.34 0.00 -0.00 0.00 0.00 57.50 53.64 2h0r n TRP 52 Cb 0.46 -0.40 -0.04 0.00 -0.00 0.00 0.00 31.31 31.33 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 -2.90 3.04 0.76 5.87 3.76 -0.73 -3.90 115.29 121.19 2h0r s HIS 53 Ca 0.41 1.59 -0.11 0.00 -0.15 0.00 0.00 55.06 56.79 2h0r s HIS 53 Cb 0.36 -3.08 0.04 0.00 1.11 0.00 0.00 32.58 31.01 2h0r s HIS 53 CO -0.08 -0.81 1.08 -2.14 -0.85 0.00 0.00 174.74 171.94 2h0r s PRO 54 N -3.09 2.43 0.16 8.40 0.02 -1.26 0.10 135.00 141.76 2h0r s PRO 54 Ca 0.66 0.84 -0.27 0.00 0.02 0.00 0.00 61.00 62.24 2h0r s PRO 54 Cb -0.18 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2h0r s PRO 54 CO 0.21 -1.43 1.56 1.03 -0.33 0.00 0.00 177.00 178.04 2h0r h SER 55 N -0.96 -1.63 0.00 2.53 0.87 -1.96 -2.34 113.55 110.06 2h0r h SER 55 Ca -0.45 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2h0r h SER 55 Cb 1.24 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 2h0r h SER 55 CO 0.57 -0.34 0.00 0.54 -0.53 0.00 0.00 176.83 177.07 2h0r n ARG 56 N -5.39 0.98 -1.53 2.24 1.74 -1.26 -4.97 116.66 108.46 2h0r n ARG 56 Ca 0.01 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 2h0r n ARG 56 Cb 0.34 -1.10 0.03 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.39 0.19 0.30 -1.55 -0.00 -0.88 -4.89 115.22 107.99 2h0r n HIS 57 Ca 0.00 0.51 0.15 0.00 0.46 0.00 0.00 57.72 58.84 2h0r n HIS 57 Cb 0.05 -2.08 0.51 0.00 -0.12 0.00 0.00 29.99 28.36 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 0.78 0.00 -0.00 3.57 2.10 -1.66 -3.11 117.51 119.19 2h0r h ILE 58 Ca -0.45 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 64.89 2h0r h ILE 58 Cb 1.37 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.68 2h0r h ILE 58 CO 0.52 0.00 -0.08 -1.54 -1.08 0.00 0.00 178.15 175.97 2h0r n SER 59 N -2.95 0.41 -4.59 2.19 3.41 -1.26 -4.76 113.62 106.08 2h0r n SER 59 Ca 0.02 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.62 2h0r n SER 59 Cb 0.36 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.42 3.21 -0.06 7.33 0.08 -1.18 -0.86 117.98 124.08 2h0r s PHE 60 Ca 0.31 0.43 0.18 0.00 0.12 0.00 0.00 56.93 57.97 2h0r s PHE 60 Cb 0.20 -2.93 0.97 0.00 -0.57 0.00 0.00 43.02 40.70 2h0r s PHE 60 CO 0.46 -0.47 1.50 0.00 -0.10 0.00 0.00 175.22 176.60 2h0r h ALA 61 N 8.27 1.10 -0.17 5.36 0.00 -1.53 -0.74 119.26 131.56 2h0r h ALA 61 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 2h0r h ALA 61 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2h0r h ALA 61 CO 0.78 -0.10 -0.69 -0.22 0.00 0.00 0.00 179.25 179.01 2h0r h LYS 62 N 0.00 0.69 -0.17 0.00 3.64 -1.83 -3.17 116.57 115.74 2h0r h LYS 62 Ca 0.00 -0.52 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2h0r h LYS 62 Cb 0.31 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2h0r h LYS 62 CO 0.00 1.14 0.11 -0.91 -2.27 0.00 0.00 179.45 177.52 2h0r h ASN 63 N 0.49 0.18 -3.58 4.20 -0.26 -1.44 -3.40 115.58 111.77 2h0r h ASN 63 Ca -0.03 -0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 55.07 2h0r h ASN 63 Cb 1.29 -0.04 -0.14 0.00 -1.06 0.00 0.00 38.32 38.37 2h0r h ASN 63 CO 0.14 0.13 0.07 -1.00 -1.06 0.00 0.00 177.43 175.70 2h0r s HIS 64 N -5.23 3.16 -0.01 1.19 3.76 -1.20 -5.02 115.29 111.95 2h0r s HIS 64 Ca -0.06 0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.82 2h0r s HIS 64 Cb 0.17 -3.06 -0.07 0.00 1.11 0.00 0.00 32.58 30.73 2h0r s HIS 64 CO 0.69 -0.60 1.81 0.21 -0.85 0.00 0.00 174.74 176.01 2h0r s LYS 65 N 2.59 4.16 -0.42 1.40 2.47 -1.26 -2.82 119.74 125.86 2h0r s LYS 65 Ca 0.22 2.40 -0.02 0.00 -1.56 0.00 0.00 55.97 57.02 2h0r s LYS 65 Cb -0.15 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.15 2h0r s LYS 65 CO 0.14 -0.90 0.24 -0.25 0.16 0.00 0.00 175.35 174.74 2h0r n ASP 66 N 7.33 -3.00 -3.89 1.43 8.00 -1.26 -5.07 116.55 120.09 2h0r n ASP 66 Ca 0.19 -0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.42 2h0r n ASP 66 Cb 0.42 -1.77 -0.15 0.00 -0.02 0.00 0.00 41.12 39.60 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 -5.07 0.31 0.08 -1.24 1.02 -1.13 -5.17 119.74 108.55 2h0r s LYS 67 Ca 0.12 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2h0r s LYS 67 Cb -0.05 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 2h0r s LYS 67 CO 0.15 0.00 0.05 -1.21 -0.92 0.00 0.00 175.35 173.42 2h0r s GLU 68 N 0.31 2.78 -0.06 1.68 0.41 -1.26 -4.55 118.70 118.01 2h0r s GLU 68 Ca -0.03 -0.73 -0.37 0.00 -0.41 0.00 0.00 54.97 53.43 2h0r s GLU 68 Cb -0.06 -2.67 -0.15 0.00 -1.78 0.00 0.00 34.13 29.47 2h0r s GLU 68 CO -0.01 0.56 1.60 -2.30 -0.49 0.00 0.00 175.26 174.63 2h0r n PRO 69 N 0.51 1.45 -0.31 0.39 -0.02 -1.26 -1.73 135.00 134.03 2h0r n PRO 69 Ca -0.09 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2h0r n PRO 69 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 4.31 0.00 -1.56 6.00 4.02 0.24 -4.94 117.16 125.23 2h0r n TYR 70 Ca 0.22 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.80 2h0r n TYR 70 Cb 0.20 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.58 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 -2.89 5.10 0.33 7.72 1.04 -0.71 -4.77 113.70 119.52 2h0r s SER 71 Ca 0.00 1.53 -0.14 0.00 0.48 0.00 0.00 55.95 57.82 2h0r s SER 71 Cb 0.00 -2.37 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 2h0r s SER 71 CO 0.00 -1.61 0.72 -0.89 0.98 0.00 0.00 173.24 172.45 2h0r s THR 72 N -3.07 4.71 0.04 2.02 2.01 -1.26 -1.68 115.64 118.41 2h0r s THR 72 Ca 0.59 0.87 0.01 0.00 0.31 0.00 0.00 61.69 63.47 2h0r s THR 72 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2h0r s THR 72 CO 0.55 -0.22 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.74 2h0r s TYR 73 N -2.02 0.52 -0.42 4.92 5.04 -0.51 -4.87 117.35 120.02 2h0r s TYR 73 Ca 0.53 -0.60 -0.09 0.00 -2.44 0.00 0.00 57.07 54.47 2h0r s TYR 73 Cb -0.10 -0.33 0.08 0.00 0.35 0.00 0.00 41.96 41.95 2h0r s TYR 73 CO 0.19 -0.16 0.26 0.99 -1.34 0.00 0.00 175.55 175.49 2h0r s THR 74 N -1.86 4.25 0.16 4.34 2.01 -1.26 -0.61 115.64 122.67 2h0r s THR 74 Ca -0.09 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 60.24 2h0r s THR 74 Cb -0.07 -3.60 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 2h0r s THR 74 CO -0.02 -0.50 1.03 -0.31 -0.69 0.00 0.00 174.62 174.13 2h0r s TYR 75 N 1.43 3.73 -0.29 4.92 1.51 -0.46 -4.93 117.35 123.26 2h0r s TYR 75 Ca 0.03 1.72 -0.08 0.00 -1.01 0.00 0.00 57.07 57.72 2h0r s TYR 75 Cb -0.23 -3.15 -0.01 0.00 -0.11 0.00 0.00 41.96 38.45 2h0r s TYR 75 CO 0.02 -0.16 0.11 -1.01 -1.11 0.00 0.00 175.55 173.40 2h0r s HIS 76 N -0.26 3.14 -0.35 2.71 3.76 -1.26 -2.35 115.29 120.68 2h0r s HIS 76 Ca 0.47 -0.58 -0.44 0.00 -0.15 0.00 0.00 55.06 54.36 2h0r s HIS 76 Cb -0.27 -2.30 -0.20 0.00 1.11 0.00 0.00 32.58 30.93 2h0r s HIS 76 CO 0.33 -0.44 1.48 0.45 -0.85 0.00 0.00 174.74 175.71 2h0r n SER 77 N 4.94 1.04 0.00 1.40 2.88 -1.18 -4.81 113.62 117.89 2h0r n SER 77 Ca -0.15 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.70 2h0r n SER 77 Cb 0.50 -0.92 0.80 0.00 -0.75 0.00 0.00 64.21 63.84 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 3.49 0.92 -2.21 -1.46 -0.04 -1.26 -4.72 135.00 129.72 2h0r n PRO 78 Ca 0.28 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.31 2h0r n PRO 78 Cb -0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 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 4.23 -0.17 0.54 6.06 -1.26 -4.96 118.95 121.39 2h0r s ARG 79 Ca 0.41 1.95 -0.38 0.00 -2.50 0.00 0.00 55.73 55.20 2h0r s ARG 79 Cb 0.19 -3.77 -0.15 0.00 0.06 0.00 0.00 34.95 31.27 2h0r s ARG 79 CO 0.31 -0.71 1.71 -2.30 -2.50 0.00 0.00 175.30 171.82 2h0r n PRO 80 N 6.35 1.40 0.00 5.12 -0.02 -1.26 -1.20 135.00 145.38 2h0r n PRO 80 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2h0r n PRO 80 Cb 0.44 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2h0r n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h0r n GLY 81 N 3.97 1.67 3.84 -1.23 0.00 -1.26 -5.05 105.19 107.12 2h0r n GLY 81 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2h0r n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h0r s ASP 82 N -2.45 4.81 0.00 1.61 -1.08 -0.34 -4.99 116.67 114.23 2h0r s ASP 82 Ca 0.00 1.22 0.00 0.00 -0.52 0.00 0.00 52.55 53.25 2h0r s ASP 82 Cb 0.00 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.50 2h0r s ASP 82 CO 0.00 -1.76 0.00 -0.90 0.52 0.00 0.00 175.17 173.03 2h0r n ASP 83 N -3.28 0.00 -4.74 -0.34 5.75 -1.26 -4.86 116.55 107.81 2h0r n ASP 83 Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.44 2h0r n ASP 83 Cb 0.57 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 2h0r n ASP 83 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2h0r s SER 84 N 0.00 6.76 0.28 -1.12 1.04 -1.26 -4.80 113.70 114.59 2h0r s SER 84 Ca 0.00 2.55 0.09 0.00 0.48 0.00 0.00 55.95 59.07 2h0r s SER 84 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2h0r s SER 84 CO 0.00 -0.62 -0.13 0.42 0.98 0.00 0.00 173.24 173.89 2h0r s THR 85 N 0.03 2.04 0.17 2.02 -4.23 -1.26 -3.11 115.64 111.30 2h0r s THR 85 Ca 0.58 -2.24 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2h0r s THR 85 Cb -0.40 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 2h0r s THR 85 CO 0.41 -0.38 -0.06 -1.10 -0.54 0.00 0.00 174.62 172.95 2h0r s GLN 86 N -3.62 1.13 -0.38 3.99 -0.21 -0.99 -4.99 119.66 114.58 2h0r s GLN 86 Ca 0.29 -1.51 -0.10 0.00 0.02 0.00 0.00 55.36 54.06 2h0r s GLN 86 Cb -0.00 -0.57 0.05 0.00 1.00 0.00 0.00 33.01 33.49 2h0r s GLN 86 CO 0.13 0.01 0.21 -2.00 -2.12 0.00 0.00 175.29 171.51 2h0r s GLU 87 N -3.80 2.72 0.55 2.91 2.56 -1.26 -1.36 118.70 121.03 2h0r s GLU 87 Ca 0.20 -1.22 0.04 0.00 0.00 0.00 0.00 54.97 53.99 2h0r s GLU 87 Cb 0.04 -3.70 0.03 0.00 2.00 0.00 0.00 34.13 32.50 2h0r s GLU 87 CO 0.03 -0.78 0.30 0.20 -0.56 0.00 0.00 175.26 174.45 2h0r s GLY 88 N 1.71 2.59 -0.07 -1.50 0.00 0.22 -4.96 107.32 105.31 2h0r s GLY 88 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 43.93 2h0r s GLY 88 CO 0.05 -2.03 -0.22 -0.42 0.00 0.00 0.00 173.10 170.47 2h0r s ILE 89 N -2.83 1.87 -0.57 0.90 -1.09 -1.26 -1.42 121.20 116.79 2h0r s ILE 89 Ca 0.24 -0.94 -0.21 0.00 -2.23 0.00 0.00 60.65 57.50 2h0r s ILE 89 Cb -0.02 -1.60 0.06 0.00 -1.58 0.00 0.00 42.46 39.32 2h0r s ILE 89 CO 0.15 0.52 0.82 -0.76 -1.23 0.00 0.00 174.94 174.44 2h0r s LEU 90 N 0.12 4.61 0.75 2.97 1.43 -0.67 -4.94 118.68 122.96 2h0r s LEU 90 Ca -0.10 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 2h0r s LEU 90 Cb -0.15 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.58 2h0r s LEU 90 CO 0.05 -1.17 1.10 0.26 0.23 0.00 0.00 176.35 176.82 2h0r s TRP 91 N 3.42 3.07 0.65 0.29 0.52 -0.04 0.83 118.94 127.68 2h0r s TRP 91 Ca 0.21 1.08 -0.12 0.00 0.02 0.00 0.00 56.10 57.28 2h0r s TRP 91 Cb -0.17 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.01 2h0r s TRP 91 CO 0.13 -1.49 1.05 -1.25 0.02 0.00 0.00 176.95 175.41 2h0r s PRO 92 N -5.28 3.22 -0.57 4.98 0.04 -1.26 -1.64 135.00 134.49 2h0r s PRO 92 Ca 0.60 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2h0r s PRO 92 Cb -0.13 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 2h0r s PRO 92 CO 0.53 -0.88 2.42 0.28 0.04 0.00 0.00 177.00 179.39 2h0r n VAL 93 N -2.71 0.03 -4.52 -0.36 0.31 -1.26 -4.92 118.33 104.90 2h0r n VAL 93 Ca 0.07 -0.43 -0.25 0.00 -0.01 0.00 0.00 64.34 63.72 2h0r n VAL 93 Cb 0.54 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 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 9.91 2.35 -1.31 3.52 -3.43 -1.26 -4.88 115.29 120.19 2h0r s HIS 94 Ca 1.11 -0.45 -0.12 0.00 -0.80 0.00 0.00 55.06 54.80 2h0r s HIS 94 Cb -0.65 -1.25 0.12 0.00 -1.43 0.00 0.00 32.58 29.37 2h0r s HIS 94 CO 0.39 0.62 0.30 0.00 -2.00 0.00 0.00 174.74 174.04 2h0r n VAL 96 N -3.29 0.69 -1.67 0.00 0.31 -1.26 -1.78 118.33 111.33 2h0r n VAL 96 Ca -0.02 -0.17 -0.44 0.00 -0.01 0.00 0.00 64.34 63.70 2h0r n VAL 96 Cb 0.39 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 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 2.70 2.01 -1.31 5.55 2.85 0.29 -2.25 118.16 127.99 2h0r n LYS 97 Ca 0.11 0.71 -0.11 0.00 -1.05 0.00 0.00 58.31 57.97 2h0r n LYS 97 Cb 0.35 -2.31 -0.05 0.00 -0.65 0.00 0.00 35.03 32.38 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 1.53 -5.41 -4.97 -5.58 3.02 -1.26 -4.94 115.26 97.64 2h0r n ASN 98 Ca 0.09 0.26 -0.19 0.00 -0.03 0.00 0.00 54.58 54.71 2h0r n ASN 98 Cb 0.33 -3.85 0.03 0.00 -0.61 0.00 0.00 39.78 35.68 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 -2.02 2.71 0.09 3.41 -4.23 -0.96 -5.02 115.64 109.63 2h0r s THR 99 Ca 0.00 -0.85 -0.31 0.00 -1.18 0.00 0.00 61.69 59.35 2h0r s THR 99 Cb 0.00 -2.86 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 2h0r s THR 99 CO 0.00 0.00 1.62 -0.25 -0.54 0.00 0.00 174.62 175.45 2h0r h TRP 100 N 0.30 -0.88 -1.17 3.99 7.01 -1.95 -2.94 115.95 120.31 2h0r h TRP 100 Ca -0.39 0.00 0.33 0.00 2.11 0.00 0.00 58.89 60.95 2h0r h TRP 100 Cb 1.29 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 28.60 2h0r h TRP 100 CO 0.35 -0.47 0.78 0.78 -2.79 0.00 0.00 178.44 177.09 2h0r h GLY 101 N -0.70 0.87 1.95 2.65 0.00 -1.93 0.43 103.07 106.33 2h0r h GLY 101 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2h0r h GLY 101 CO -0.04 -0.15 0.00 -1.14 0.00 0.00 0.00 176.54 175.20 2h0r n SER 102 N -4.50 0.00 -4.82 0.19 3.41 -1.11 -1.41 113.62 105.39 2h0r n SER 102 Ca 0.29 0.44 -0.33 0.00 -0.26 0.00 0.00 58.87 59.01 2h0r n SER 102 Cb 1.13 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.95 3.88 0.31 4.33 -0.21 0.15 -4.85 119.66 120.32 2h0r s GLN 103 Ca 0.11 1.17 -0.28 0.00 0.02 0.00 0.00 55.36 56.38 2h0r s GLN 103 Cb 0.13 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 31.93 2h0r s GLN 103 CO 0.36 -0.34 1.10 -0.51 -2.12 0.00 0.00 175.29 173.78 2h0r s LEU 104 N -3.70 4.45 0.70 2.90 1.43 -1.26 -1.34 118.68 121.86 2h0r s LEU 104 Ca 0.63 2.25 -0.17 0.00 -1.03 0.00 0.00 54.13 55.81 2h0r s LEU 104 Cb -0.13 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 2h0r s LEU 104 CO 0.23 -0.25 0.35 1.33 0.23 0.00 0.00 176.35 178.24 2h0r n VAL 105 N 0.88 1.46 0.22 -1.59 0.24 -0.80 -4.35 118.33 114.39 2h0r n VAL 105 Ca 0.00 -0.43 0.09 0.00 -2.04 0.00 0.00 64.34 61.97 2h0r n VAL 105 Cb 0.46 -0.58 0.45 0.00 -1.47 0.00 0.00 33.84 32.69 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 -0.31 0.00 0.32 -1.34 5.19 -1.94 1.49 116.42 119.83 2h0r h ASP 106 Ca -0.45 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.75 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 0.42 0.25 -0.85 -0.61 -3.12 0.00 0.00 179.24 175.32 2h0r h GLN 107 N 0.00 0.39 -0.02 3.56 5.75 -1.97 0.84 115.11 123.66 2h0r h GLN 107 Ca -0.00 -0.38 -0.02 0.00 -0.15 0.00 0.00 58.65 58.09 2h0r h GLN 107 Cb 0.76 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.40 2h0r h GLN 107 CO 0.03 1.04 -0.07 0.82 -2.65 0.00 0.00 178.83 178.00 2h0r h ILE 108 N 0.24 1.48 -0.72 2.39 1.08 -1.72 -3.15 117.51 117.10 2h0r h ILE 108 Ca -0.06 -1.51 0.14 0.00 -0.39 0.00 0.00 64.86 63.03 2h0r h ILE 108 Cb 1.47 2.43 -0.09 0.00 -3.07 0.00 0.00 36.82 37.55 2h0r h ILE 108 CO 0.15 0.41 0.27 -0.03 -0.69 0.00 0.00 178.15 178.25 2h0r h MET 109 N -0.50 0.40 -0.43 2.37 4.05 0.26 0.20 114.93 121.28 2h0r h MET 109 Ca -0.00 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 2h0r h MET 109 Cb 0.70 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 2h0r h MET 109 CO 0.02 0.26 0.00 0.22 0.23 0.00 0.00 176.91 177.64 2h0r h ASP 110 N 0.41 0.73 -0.33 1.39 1.82 -0.98 -1.78 116.42 117.69 2h0r h ASP 110 Ca 0.39 -0.30 0.06 0.00 -0.39 0.00 0.00 57.03 56.79 2h0r h ASP 110 Cb 0.59 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 40.35 2h0r h ASP 110 CO -0.40 0.86 -0.00 -0.61 -1.61 0.00 0.00 179.24 177.47 2h0r h GLN 111 N 0.59 0.09 -0.52 0.28 5.75 -0.68 -0.44 115.11 120.17 2h0r h GLN 111 Ca 0.12 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2h0r h GLN 111 Cb 0.48 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 2h0r h GLN 111 CO 0.02 0.06 0.33 0.28 -2.65 0.00 0.00 178.83 176.87 2h0r h VAL 112 N 0.09 1.15 -0.15 2.39 2.07 -0.80 -1.87 116.25 119.12 2h0r h VAL 112 Ca 0.16 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 2h0r h VAL 112 Cb 0.21 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2h0r h VAL 112 CO -0.27 0.15 -0.41 0.58 0.02 0.00 0.00 177.57 177.64 2h0r h VAL 113 N 0.71 1.31 0.11 2.57 2.07 -0.80 -1.37 116.25 120.84 2h0r h VAL 113 Ca 0.19 -1.55 -0.21 0.00 0.82 0.00 0.00 66.70 65.95 2h0r h VAL 113 Cb -0.05 1.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2h0r h VAL 113 CO -0.04 0.47 -1.00 0.71 0.02 0.00 0.00 177.57 177.73 2h0r h THR 114 N 0.29 1.32 -0.05 2.57 1.35 -0.94 -3.34 112.91 114.10 2h0r h THR 114 Ca 0.03 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2h0r h THR 114 Cb 0.85 2.98 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 2h0r h THR 114 CO 0.07 0.68 0.00 0.29 -0.25 0.00 0.00 175.52 176.31 2h0r n LYS 115 N -4.10 1.68 -3.43 4.72 4.76 -0.72 -4.95 118.16 116.11 2h0r n LYS 115 Ca -0.19 -0.99 -0.20 0.00 -2.87 0.00 0.00 58.31 54.06 2h0r n LYS 115 Cb 0.82 -1.46 0.07 0.00 -1.84 0.00 0.00 35.03 32.62 2h0r n LYS 115 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2h0r n HIS 116 N 0.20 -2.43 -2.28 2.13 8.25 -0.63 -4.96 115.22 115.50 2h0r n HIS 116 Ca 0.18 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 58.12 2h0r n HIS 116 Cb 0.35 -4.68 -0.03 0.00 1.12 0.00 0.00 29.99 26.75 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 -3.30 3.52 0.28 1.59 1.01 -0.62 -4.97 121.20 118.72 2h0r s ILE 117 Ca 0.38 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 2h0r s ILE 117 Cb -0.17 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 2h0r s ILE 117 CO 0.66 0.12 1.52 -0.75 0.00 0.00 0.00 174.94 176.49 2h0r s LYS 118 N 0.66 4.19 0.01 2.79 2.47 -1.25 -4.89 119.74 123.71 2h0r s LYS 118 Ca 0.60 2.46 0.03 0.00 -1.56 0.00 0.00 55.97 57.49 2h0r s LYS 118 Cb -0.34 -3.06 -0.03 0.00 -1.46 0.00 0.00 37.83 32.94 2h0r s LYS 118 CO 0.32 -0.53 -0.06 0.42 0.16 0.00 0.00 175.35 175.67 2h0r s ILE 119 N -0.07 3.73 -0.10 5.43 1.01 -1.26 -1.59 121.20 128.35 2h0r s ILE 119 Ca 0.61 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2h0r s ILE 119 Cb -0.45 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2h0r s ILE 119 CO 0.47 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.90 2h0r s VAL 120 N -1.03 1.68 -0.26 2.92 1.01 -0.13 -4.95 120.40 119.63 2h0r s VAL 120 Ca 0.18 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 2h0r s VAL 120 Cb -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2h0r s VAL 120 CO 0.09 0.48 0.12 -1.81 0.00 0.00 0.00 175.10 173.97 2h0r s ASP 121 N 0.68 5.55 0.36 3.32 1.01 -1.26 -0.14 116.67 126.19 2h0r s ASP 121 Ca -0.12 -0.10 0.08 0.00 0.71 0.00 0.00 52.55 53.11 2h0r s ASP 121 Cb -0.16 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 2h0r s ASP 121 CO 0.03 -0.03 0.32 -1.59 0.21 0.00 0.00 175.17 174.11 2h0r s LYS 122 N 1.61 2.67 0.00 8.23 -2.85 0.36 -4.73 119.74 125.04 2h0r s LYS 122 Ca 0.07 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.67 2h0r s LYS 122 Cb -0.15 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.16 2h0r s LYS 122 CO 0.07 0.00 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2h0r n GLY 123 N -1.43 0.60 0.24 0.59 0.00 -1.26 0.10 105.19 104.02 2h0r n GLY 123 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 1.03 -3.24 1.61 3.57 -1.85 -3.31 116.94 114.74 2h0r h PHE 124 Ca 0.00 -0.37 -0.53 0.00 3.53 0.00 0.00 57.97 60.60 2h0r h PHE 124 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2h0r h PHE 124 CO 0.00 1.18 0.52 -0.51 -2.23 0.00 0.00 178.31 177.27 2h0r s LEU 125 N -8.61 4.37 0.14 0.59 1.43 -1.26 -4.29 118.68 111.05 2h0r s LEU 125 Ca -0.10 1.95 0.13 0.00 -1.03 0.00 0.00 54.13 55.07 2h0r s LEU 125 Cb 0.10 -3.58 0.61 0.00 0.03 0.00 0.00 46.19 43.36 2h0r s LEU 125 CO 0.88 -0.42 1.39 0.41 0.23 0.00 0.00 176.35 178.84 2h0r n THR 126 N 3.88 1.37 0.05 5.49 -1.04 -1.26 -3.09 114.28 119.67 2h0r n THR 126 Ca 0.08 0.49 0.03 0.00 -2.04 0.00 0.00 64.05 62.62 2h0r n THR 126 Cb 0.47 -1.44 0.06 0.00 -1.82 0.00 0.00 70.33 67.60 2h0r n THR 126 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2h0r n ASP 127 N -1.84 2.12 -3.60 8.00 3.85 -1.26 -1.73 116.55 122.09 2h0r n ASP 127 Ca 0.00 -1.70 -0.16 0.00 -0.71 0.00 0.00 54.79 52.22 2h0r n ASP 127 Cb 0.07 -0.08 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 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 -0.81 0.93 0.23 0.11 1.70 -1.18 -4.90 118.95 115.04 2h0r s ARG 128 Ca 0.11 0.10 -0.24 0.00 -0.47 0.00 0.00 55.73 55.23 2h0r s ARG 128 Cb 0.06 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.79 2h0r s ARG 128 CO 0.09 -0.28 0.83 -2.00 -1.08 0.00 0.00 175.30 172.85 2h0r s GLU 129 N -1.26 4.52 -0.01 3.89 2.56 -1.26 -4.78 118.70 122.36 2h0r s GLU 129 Ca -0.12 1.16 0.08 0.00 0.00 0.00 0.00 54.97 56.09 2h0r s GLU 129 Cb -0.02 -3.03 -0.02 0.00 2.00 0.00 0.00 34.13 33.06 2h0r s GLU 129 CO 0.08 0.44 -0.25 0.71 -0.56 0.00 0.00 175.26 175.68 2h0r s TYR 130 N -1.39 2.37 -0.15 5.30 1.51 -1.26 -1.72 117.35 122.01 2h0r s TYR 130 Ca 0.42 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2h0r s TYR 130 Cb -0.20 -1.49 -0.09 0.00 -0.11 0.00 0.00 41.96 40.06 2h0r s TYR 130 CO 0.25 0.03 -0.15 0.66 -1.11 0.00 0.00 175.55 175.23 2h0r n TYR 131 N 2.26 0.00 -2.19 2.71 4.01 -1.26 -4.78 117.16 117.91 2h0r n TYR 131 Ca -0.16 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.22 2h0r n TYR 131 Cb 0.51 -0.58 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 2h0r n TYR 131 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2h0r s SER 132 N -5.66 5.64 0.00 7.72 0.15 -1.26 -4.26 113.70 116.04 2h0r s SER 132 Ca -0.21 2.26 0.15 0.00 0.70 0.00 0.00 55.95 58.85 2h0r s SER 132 Cb 0.06 -2.59 0.55 0.00 -1.71 0.00 0.00 66.02 62.33 2h0r s SER 132 CO 0.33 -1.28 1.40 0.00 1.20 0.00 0.00 173.24 174.90 2h0r n ALA 133 N -1.26 2.50 -0.08 5.45 0.00 -1.26 -4.01 120.51 121.85 2h0r n ALA 133 Ca 0.12 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 2h0r n ALA 133 Cb 0.50 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 2h0r n ALA 133 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2h0r n PHE 134 N 0.16 0.43 -3.79 0.00 3.72 -1.26 -4.46 117.46 112.26 2h0r n PHE 134 Ca 0.12 0.10 -0.04 0.00 -0.05 0.00 0.00 57.45 57.59 2h0r n PHE 134 Cb 0.25 -1.06 -0.00 0.00 -0.94 0.00 0.00 39.48 37.72 2h0r n PHE 134 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2h0r s HIS 135 N -2.53 -0.06 1.11 1.38 -3.43 -1.26 0.23 115.29 110.73 2h0r s HIS 135 Ca -0.26 -0.29 -0.17 0.00 -0.80 0.00 0.00 55.06 53.54 2h0r s HIS 135 Cb 0.08 0.67 0.25 0.00 -1.43 0.00 0.00 32.58 32.14 2h0r s HIS 135 CO 0.69 -0.89 1.15 0.16 -2.00 0.00 0.00 174.74 173.84 2h0r s ASP 136 N -3.07 1.76 0.00 7.38 3.84 -0.72 -4.16 116.67 121.69 2h0r s ASP 136 Ca 0.15 0.67 0.21 0.00 -0.00 0.00 0.00 52.55 53.58 2h0r s ASP 136 Cb -0.02 -0.97 1.08 0.00 -1.38 0.00 0.00 42.92 41.62 2h0r s ASP 136 CO 0.04 -3.61 1.65 2.30 -0.00 0.00 0.00 175.17 175.55 2h0r n ILE 137 N -4.42 0.31 0.73 2.11 -5.35 -0.70 -1.61 119.36 110.42 2h0r n ILE 137 Ca 0.12 0.08 0.07 0.00 -0.27 0.00 0.00 62.75 62.75 2h0r n ILE 137 Cb 0.59 -0.74 -0.08 0.00 -1.74 0.00 0.00 39.64 37.67 2h0r n ILE 137 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2h0r n TRP 138 N -1.24 0.00 -2.77 4.28 7.02 -1.26 -4.99 117.44 118.47 2h0r n TRP 138 Ca 0.11 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.44 2h0r n TRP 138 Cb 0.15 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.06 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 -1.31 -4.67 0.00 -0.99 4.05 -0.63 -5.00 115.26 106.71 2h0r n ASN 139 Ca 0.03 -0.19 0.00 0.00 0.45 0.00 0.00 54.58 54.87 2h0r n ASN 139 Cb 0.24 -3.54 0.00 0.00 1.23 0.00 0.00 39.78 37.72 2h0r n ASN 139 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2h0r n PHE 140 N -4.11 0.00 -1.85 1.20 0.99 -1.26 -4.88 117.46 107.55 2h0r n PHE 140 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.95 2h0r n PHE 140 Cb 0.58 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.03 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 0.00 1.68 0.54 1.38 2.46 -1.26 -4.89 115.29 115.20 2h0r s HIS 141 Ca 0.00 -0.10 -0.04 0.00 0.47 0.00 0.00 55.06 55.38 2h0r s HIS 141 Cb 0.00 -4.07 -0.00 0.00 -0.13 0.00 0.00 32.58 28.37 2h0r s HIS 141 CO 0.00 -4.66 0.83 0.15 -2.47 0.00 0.00 174.74 168.59 2h0r s LYS 142 N 4.14 3.07 0.57 2.88 1.02 -1.26 -1.76 119.74 128.40 2h0r s LYS 142 Ca 0.80 -0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.81 2h0r s LYS 142 Cb -0.38 -2.35 0.08 0.00 -0.52 0.00 0.00 37.83 34.66 2h0r s LYS 142 CO 0.35 -0.51 0.78 0.95 -0.92 0.00 0.00 175.35 176.00 2h0r s THR 143 N -2.85 2.30 0.23 2.17 -4.23 0.64 -4.85 115.64 109.05 2h0r s THR 143 Ca 0.51 -0.94 0.33 0.00 -1.18 0.00 0.00 61.69 60.42 2h0r s THR 143 Cb -0.10 -2.36 0.34 0.00 1.34 0.00 0.00 72.50 71.71 2h0r s THR 143 CO 0.44 0.00 2.02 -0.78 -0.54 0.00 0.00 174.62 175.76 2h0r h ASP 144 N 0.15 0.00 0.00 3.99 3.58 -1.86 -3.38 116.42 118.90 2h0r h ASP 144 Ca -0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2h0r h ASP 144 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2h0r h ASP 144 CO 0.42 0.00 0.00 0.80 -2.88 0.00 0.00 179.24 177.58 2h0r n MET 145 N -2.68 0.00 -0.32 0.28 1.56 -1.26 -2.57 117.12 112.13 2h0r n MET 145 Ca -0.02 0.65 0.20 0.00 -0.27 0.00 0.00 57.70 58.26 2h0r n MET 145 Cb 0.06 -1.48 0.45 0.00 2.15 0.00 0.00 33.22 34.40 2h0r n MET 145 CO 0.00 0.00 0.00 -0.97 -0.73 0.00 0.00 175.97 174.27 2h0r h ASN 146 N 0.00 0.55 -0.27 6.12 -1.24 -1.88 0.16 115.58 119.01 2h0r h ASN 146 Ca 0.00 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 2h0r h ASN 146 Cb 0.00 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2h0r h ASN 146 CO 0.00 0.13 0.11 0.11 -1.29 0.00 0.00 177.43 176.49 2h0r h LYS 147 N 0.50 0.41 -0.29 6.67 1.79 -1.82 -2.66 116.57 121.16 2h0r h LYS 147 Ca 0.59 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.97 2h0r h LYS 147 Cb 1.31 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 2h0r h LYS 147 CO -0.33 0.44 0.16 -0.92 -1.08 0.00 0.00 179.45 177.72 2h0r h TYR 148 N 0.29 0.40 -0.31 -1.35 5.03 -0.44 0.12 116.97 120.71 2h0r h TYR 148 Ca 0.09 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.46 2h0r h TYR 148 Cb 0.19 -0.13 -0.07 0.00 1.55 0.00 0.00 36.73 38.26 2h0r h TYR 148 CO -0.01 0.33 -0.18 -0.07 -1.32 0.00 0.00 178.16 176.92 2h0r h LEU 149 N 0.36 -0.59 -0.78 2.82 3.38 -1.33 -1.34 115.31 117.83 2h0r h LEU 149 Ca 0.10 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2h0r h LEU 149 Cb 0.06 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2h0r h LEU 149 CO -0.02 -0.21 0.16 -0.33 0.09 0.00 0.00 178.44 178.13 2h0r h GLU 150 N -0.14 1.08 -0.89 1.13 5.08 -1.31 -1.99 114.58 117.54 2h0r h GLU 150 Ca 0.16 -0.26 0.24 0.00 -1.00 0.00 0.00 59.36 58.51 2h0r h GLU 150 Cb 0.39 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2h0r h GLU 150 CO -0.40 0.96 0.62 -0.22 -1.00 0.00 0.00 179.01 178.97 2h0r h LYS 151 N 1.02 0.13 -0.31 2.33 1.63 0.19 -0.45 116.57 121.11 2h0r h LYS 151 Ca 0.21 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.81 2h0r h LYS 151 Cb 0.37 -0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 31.84 2h0r h LYS 151 CO 0.00 0.08 -0.32 0.72 -3.45 0.00 0.00 179.45 176.49 2h0r n HIS 152 N -4.36 1.03 -3.63 1.91 8.25 -1.03 -4.98 115.22 112.42 2h0r n HIS 152 Ca 0.19 -1.73 -0.27 0.00 -0.26 0.00 0.00 57.72 55.65 2h0r n HIS 152 Cb 0.87 -0.42 0.04 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.05 -2.36 -2.11 4.41 8.25 -0.18 -4.84 115.22 117.34 2h0r n HIS 153 Ca 0.31 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 58.18 2h0r n HIS 153 Cb 0.89 -4.25 -0.03 0.00 1.12 0.00 0.00 29.99 27.72 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 -3.25 3.70 -0.04 1.59 2.01 -0.77 -2.41 115.64 116.47 2h0r s THR 154 Ca 0.56 0.90 0.07 0.00 0.31 0.00 0.00 61.69 63.53 2h0r s THR 154 Cb -0.27 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 2h0r s THR 154 CO 0.69 -0.07 0.17 -0.90 -0.69 0.00 0.00 174.62 173.83 2h0r n ASP 155 N 6.74 3.07 -3.95 3.53 3.85 -0.95 -4.78 116.55 124.06 2h0r n ASP 155 Ca 0.16 -0.07 -0.13 0.00 -0.71 0.00 0.00 54.79 54.04 2h0r n ASP 155 Cb 0.43 1.29 -0.13 0.00 -1.35 0.00 0.00 41.12 41.35 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 -2.40 0.29 -0.05 0.11 -1.05 -1.14 -2.03 118.70 112.43 2h0r s GLU 156 Ca -0.02 -0.26 0.03 0.00 -0.15 0.00 0.00 54.97 54.57 2h0r s GLU 156 Cb 0.05 -0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 2h0r s GLU 156 CO 0.29 0.05 -0.14 0.08 0.95 0.00 0.00 175.26 176.49 2h0r s VAL 157 N -0.42 1.19 -0.17 1.83 1.01 0.82 -2.44 120.40 122.22 2h0r s VAL 157 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2h0r s VAL 157 Cb -0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2h0r s VAL 157 CO -0.00 0.36 -0.11 -0.31 0.00 0.00 0.00 175.10 175.04 2h0r s TYR 158 N 0.33 2.86 -0.19 5.22 2.02 0.32 -1.10 117.35 126.80 2h0r s TYR 158 Ca -0.08 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 55.71 2h0r s TYR 158 Cb -0.13 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2h0r s TYR 158 CO 0.03 -0.42 -0.11 0.42 -1.57 0.00 0.00 175.55 173.90 2h0r s ILE 159 N 0.90 2.89 0.22 2.71 1.01 0.06 0.41 121.20 129.41 2h0r s ILE 159 Ca -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2h0r s ILE 159 Cb -0.15 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2h0r s ILE 159 CO -0.00 0.48 0.06 0.68 0.00 0.00 0.00 174.94 176.15 2h0r s VAL 160 N 1.25 0.58 0.00 2.92 -7.23 -0.47 -3.15 120.40 114.30 2h0r s VAL 160 Ca 0.03 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2h0r s VAL 160 Cb -0.14 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2h0r s VAL 160 CO -0.05 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 2h0r n GLY 161 N -0.37 -0.03 3.51 2.32 0.00 0.91 -0.35 105.19 111.18 2h0r n GLY 161 Ca -0.03 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 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 1.90 -0.00 1.61 -7.23 -0.65 -3.49 120.40 112.53 2h0r s VAL 162 Ca 0.00 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 2h0r s VAL 162 Cb 0.00 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 2h0r s VAL 162 CO 0.00 -0.18 0.34 0.00 -0.31 0.00 0.00 175.10 174.95 2h0r s ALA 163 N -2.83 3.76 0.09 1.32 0.00 -1.26 -4.17 121.76 118.66 2h0r s ALA 163 Ca 0.32 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 2h0r s ALA 163 Cb 0.05 -2.24 -0.12 0.00 0.00 0.00 0.00 23.12 20.81 2h0r s ALA 163 CO 0.15 0.55 1.46 1.25 0.00 0.00 0.00 175.76 179.17 2h0r h LEU 164 N 4.42 -1.35 0.00 0.00 5.85 -1.22 -1.46 115.31 121.56 2h0r h LEU 164 Ca -0.51 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2h0r h LEU 164 Cb 1.21 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.75 2h0r h LEU 164 CO 0.63 -0.45 0.00 -1.84 -0.34 0.00 0.00 178.44 176.44 2h0r n GLU 165 N -4.95 0.85 0.00 1.25 0.00 -1.26 -1.48 120.64 115.05 2h0r n GLU 165 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 2h0r n GLU 165 Cb 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 31.44 30.48 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 -0.80 0.00 0.15 -1.84 4.01 -0.77 -4.75 117.16 113.15 2h0r n TYR 166 Ca 0.12 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.89 2h0r n TYR 166 Cb 0.06 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.16 1.37 0.49 0.00 2.07 -1.43 -1.68 116.25 117.23 2h0r h VAL 168 Ca 0.03 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2h0r h VAL 168 Cb 0.40 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2h0r h VAL 168 CO 0.03 0.29 -0.43 0.50 0.02 0.00 0.00 177.57 177.97 2h0r h LYS 169 N -0.45 -0.89 -0.19 1.57 3.64 -0.63 -1.69 116.57 117.93 2h0r h LYS 169 Ca 0.00 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2h0r h LYS 169 Cb 0.47 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2h0r h LYS 169 CO 0.00 -0.59 0.06 0.00 -2.27 0.00 0.00 179.45 176.65 2h0r h ALA 170 N -0.65 0.21 -0.77 5.00 0.00 -0.41 -0.01 119.26 122.63 2h0r h ALA 170 Ca -0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2h0r h ALA 170 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2h0r h ALA 170 CO -0.03 -0.37 0.51 1.15 0.00 0.00 0.00 179.25 180.51 2h0r h THR 171 N 0.15 1.19 -0.02 0.00 2.02 -1.33 -1.79 112.91 113.12 2h0r h THR 171 Ca 0.08 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2h0r h THR 171 Cb 0.06 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2h0r h THR 171 CO -0.09 0.19 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2h0r h ALA 172 N 1.52 0.02 0.03 6.16 0.00 -0.25 0.64 119.26 127.39 2h0r h ALA 172 Ca 0.29 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2h0r h ALA 172 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2h0r h ALA 172 CO -0.07 -0.33 -0.28 0.82 0.00 0.00 0.00 179.25 179.39 2h0r h ILE 173 N -0.26 0.37 -0.73 0.00 2.04 -0.88 -1.52 117.51 116.54 2h0r h ILE 173 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 2h0r h ILE 173 Cb 0.29 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2h0r h ILE 173 CO 0.00 0.00 0.48 0.28 0.00 0.00 0.00 178.15 178.92 2h0r h SER 174 N -0.45 0.44 -0.12 1.72 0.02 -1.24 0.48 113.55 114.40 2h0r h SER 174 Ca 0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2h0r h SER 174 Cb 0.52 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2h0r h SER 174 CO -0.22 0.24 -0.03 0.00 -1.14 0.00 0.00 176.83 175.68 2h0r h ALA 175 N 1.65 0.17 -0.25 3.77 0.00 -0.21 -2.55 119.26 121.83 2h0r h ALA 175 Ca 0.35 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2h0r h ALA 175 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2h0r h ALA 175 CO -0.12 -0.09 -0.47 0.00 0.00 0.00 0.00 179.25 178.58 2h0r h ALA 176 N 0.69 0.70 -0.47 0.00 0.00 -0.63 -2.39 119.26 117.16 2h0r h ALA 176 Ca 0.03 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2h0r h ALA 176 Cb 0.46 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2h0r h ALA 176 CO 0.01 0.67 -0.56 1.49 0.00 0.00 0.00 179.25 180.86 2h0r h GLU 177 N 0.53 -0.34 -0.90 0.00 4.57 -0.07 -1.32 114.58 117.05 2h0r h GLU 177 Ca 0.03 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2h0r h GLU 177 Cb 1.02 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2h0r h GLU 177 CO 0.10 -0.23 0.00 1.28 -1.18 0.00 0.00 179.01 178.98 2h0r n LEU 178 N -5.36 1.20 -3.01 1.64 4.77 -0.96 -4.78 117.00 110.48 2h0r n LEU 178 Ca -0.03 -0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 55.20 2h0r n LEU 178 Cb 0.33 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2h0r n LEU 178 CO -0.01 0.24 0.11 0.61 -1.33 0.00 0.00 177.39 177.01 2h0r n GLY 179 N 0.30 -0.23 3.61 -0.72 0.00 -0.50 -5.05 105.19 102.60 2h0r n GLY 179 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.29 2.84 -0.70 1.61 1.51 -0.91 -5.02 117.35 113.38 2h0r s TYR 180 Ca 0.08 -0.09 -0.27 0.00 -1.01 0.00 0.00 57.07 55.78 2h0r s TYR 180 Cb -0.03 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2h0r s TYR 180 CO 0.60 0.42 1.49 0.15 -1.11 0.00 0.00 175.55 177.11 2h0r s LYS 181 N -2.02 3.00 -0.25 -0.62 1.02 -0.86 -4.22 119.74 115.79 2h0r s LYS 181 Ca 0.21 0.03 -0.12 0.00 0.02 0.00 0.00 55.97 56.11 2h0r s LYS 181 Cb -0.11 -4.29 -0.05 0.00 -0.52 0.00 0.00 37.83 32.86 2h0r s LYS 181 CO 0.13 -2.37 0.25 0.99 -0.92 0.00 0.00 175.35 173.43 2h0r s THR 182 N 6.93 5.28 -0.11 2.17 2.01 -1.26 -0.13 115.64 130.53 2h0r s THR 182 Ca 0.47 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.83 2h0r s THR 182 Cb -0.09 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 2h0r s THR 182 CO 0.16 0.27 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.26 2h0r s THR 183 N 1.49 2.36 -0.31 -0.82 2.01 -0.26 -2.44 115.64 117.67 2h0r s THR 183 Ca 0.11 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 2h0r s THR 183 Cb -0.15 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.45 2h0r s THR 183 CO 0.08 0.55 0.08 -0.69 -0.69 0.00 0.00 174.62 173.94 2h0r s VAL 184 N 0.34 3.79 -0.73 3.82 1.01 -1.07 -0.76 120.40 126.81 2h0r s VAL 184 Ca -0.17 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 2h0r s VAL 184 Cb -0.17 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.26 2h0r s VAL 184 CO 0.08 -0.01 1.01 -0.76 0.00 0.00 0.00 175.10 175.42 2h0r s LEU 185 N 1.45 4.53 0.37 3.92 1.43 -1.19 -3.38 118.68 125.82 2h0r s LEU 185 Ca 0.01 -1.26 0.14 0.00 -1.03 0.00 0.00 54.13 51.99 2h0r s LEU 185 Cb -0.18 -2.42 0.98 0.00 0.03 0.00 0.00 46.19 44.60 2h0r s LEU 185 CO 0.02 -1.35 1.80 -0.07 0.23 0.00 0.00 176.35 176.98 2h0r h LEU 186 N 11.16 0.55 -1.85 1.79 3.38 -1.47 -0.48 115.31 128.38 2h0r h LEU 186 Ca -0.17 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2h0r h LEU 186 Cb 1.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2h0r h LEU 186 CO 1.17 0.18 0.00 0.44 0.09 0.00 0.00 178.44 180.32 2h0r h ASP 187 N 0.52 0.00 -0.75 -0.43 5.19 -1.82 -2.74 116.42 116.40 2h0r h ASP 187 Ca 0.55 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.49 2h0r h ASP 187 Cb 1.19 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.43 2h0r h ASP 187 CO -0.28 0.00 0.18 -1.22 -3.12 0.00 0.00 179.24 174.79 2h0r n TYR 188 N -2.84 2.44 -3.87 4.55 4.02 -0.19 -4.95 117.16 116.32 2h0r n TYR 188 Ca -0.01 -2.22 -0.10 0.00 -0.01 0.00 0.00 57.90 55.57 2h0r n TYR 188 Cb 0.18 -0.83 -0.08 0.00 -0.02 0.00 0.00 39.34 38.58 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 -4.02 0.13 -0.06 -0.72 -4.23 -1.03 -0.07 115.64 105.63 2h0r s THR 189 Ca 0.54 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 2h0r s THR 189 Cb 0.45 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2h0r s THR 189 CO 0.02 -0.58 0.15 -0.13 -0.54 0.00 0.00 174.62 173.55 2h0r s ARG 190 N -3.03 0.15 0.18 3.99 1.81 -1.23 -5.00 118.95 115.83 2h0r s ARG 190 Ca -0.01 0.28 -0.23 0.00 -1.72 0.00 0.00 55.73 54.04 2h0r s ARG 190 Cb 0.01 -0.01 -0.08 0.00 -0.45 0.00 0.00 34.95 34.42 2h0r s ARG 190 CO -0.06 -0.07 0.76 -1.25 -0.68 0.00 0.00 175.30 173.99 2h0r s PRO 191 N 0.48 4.46 0.01 3.54 0.04 -1.26 -0.81 135.00 141.46 2h0r s PRO 191 Ca -0.03 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 2h0r s PRO 191 Cb -0.05 -3.14 -0.17 0.00 0.04 0.00 0.00 34.50 31.18 2h0r s PRO 191 CO -0.02 0.52 1.28 0.82 0.04 0.00 0.00 177.00 179.63 2h0r h ILE 192 N 3.16 0.83 -2.94 0.56 2.04 -1.93 -3.39 117.51 115.83 2h0r h ILE 192 Ca -0.47 -0.64 -0.57 0.00 1.00 0.00 0.00 64.86 64.18 2h0r h ILE 192 Cb 1.20 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2h0r h ILE 192 CO 0.66 0.14 1.02 -0.55 0.00 0.00 0.00 178.15 179.41 2h0r s SER 193 N -5.19 6.62 -0.11 1.72 0.15 -1.26 -4.65 113.70 110.98 2h0r s SER 193 Ca -0.14 1.49 0.04 0.00 0.70 0.00 0.00 55.95 58.04 2h0r s SER 193 Cb 0.02 -2.54 0.30 0.00 -1.71 0.00 0.00 66.02 62.09 2h0r s SER 193 CO 0.57 -1.08 1.08 -0.90 1.20 0.00 0.00 173.24 174.11 2h0r n ASP 194 N 7.71 2.94 -4.65 5.45 5.75 -1.26 -4.87 116.55 127.62 2h0r n ASP 194 Ca 0.16 -2.42 -0.43 0.00 -0.01 0.00 0.00 54.79 52.09 2h0r n ASP 194 Cb 0.46 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 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 -0.18 6.71 0.24 -1.12 3.68 -1.26 -4.92 116.67 119.82 2h0r s ASP 195 Ca 0.21 1.91 -0.04 0.00 2.13 0.00 0.00 52.55 56.76 2h0r s ASP 195 Cb 0.17 -2.53 0.45 0.00 -1.45 0.00 0.00 42.92 39.55 2h0r s ASP 195 CO 0.06 -0.93 1.73 -0.65 0.13 0.00 0.00 175.17 175.51 2h0r h PRO 196 N 9.30 0.45 -0.24 4.34 0.11 -2.03 -2.23 132.00 141.71 2h0r h PRO 196 Ca -0.34 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.78 2h0r h PRO 196 Cb 1.15 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2h0r h PRO 196 CO 0.97 0.30 0.04 1.49 -0.21 0.00 0.00 178.00 180.59 2h0r h GLU 197 N 0.46 0.13 -1.03 1.05 4.57 -1.99 -3.14 114.58 114.64 2h0r h GLU 197 Ca 0.41 -0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.85 2h0r h GLU 197 Cb 0.61 -0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.05 2h0r h GLU 197 CO -0.39 0.09 0.62 0.28 -1.18 0.00 0.00 179.01 178.43 2h0r h VAL 198 N 0.13 0.48 0.00 0.32 2.07 -1.77 0.25 116.25 117.73 2h0r h VAL 198 Ca 0.11 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2h0r h VAL 198 Cb 0.11 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2h0r h VAL 198 CO -0.15 0.09 0.04 0.40 0.02 0.00 0.00 177.57 177.98 2h0r h ILE 199 N 0.48 0.00 0.00 4.57 2.04 -1.55 -2.78 117.51 120.27 2h0r h ILE 199 Ca 0.65 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 66.13 2h0r h ILE 199 Cb 1.42 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 2h0r h ILE 199 CO -0.44 0.00 -2.41 0.59 0.00 0.00 0.00 178.15 175.89 2h0r n ASN 200 N -2.42 1.16 -0.33 1.72 4.13 0.86 -2.37 115.26 118.01 2h0r n ASN 200 Ca -0.02 -0.06 0.18 0.00 1.68 0.00 0.00 54.58 56.36 2h0r n ASN 200 Cb 0.08 0.15 0.38 0.00 -1.54 0.00 0.00 39.78 38.86 2h0r n ASN 200 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2h0r h LYS 201 N 0.00 0.48 0.18 3.52 1.57 -1.48 -1.86 116.57 118.98 2h0r h LYS 201 Ca -0.55 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 57.90 2h0r h LYS 201 Cb 2.05 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 34.27 2h0r h LYS 201 CO -0.03 0.32 -1.41 0.28 -0.57 0.00 0.00 179.45 178.04 2h0r h VAL 202 N 0.50 1.16 -0.57 0.50 2.07 -1.71 -3.16 116.25 115.04 2h0r h VAL 202 Ca 0.64 -2.53 0.08 0.00 0.82 0.00 0.00 66.70 65.70 2h0r h VAL 202 Cb 1.26 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 33.88 2h0r h VAL 202 CO -0.51 0.78 0.24 0.50 0.02 0.00 0.00 177.57 178.60 2h0r h LYS 203 N -0.09 0.43 0.00 1.57 3.64 -0.99 -0.56 116.57 120.58 2h0r h LYS 203 Ca -0.27 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2h0r h LYS 203 Cb 1.94 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 2h0r h LYS 203 CO 0.17 0.28 -0.59 -0.85 -2.27 0.00 0.00 179.45 176.19 2h0r n GLU 204 N -4.95 0.26 0.15 1.90 0.28 -0.77 -3.12 120.64 114.39 2h0r n GLU 204 Ca 0.07 0.08 0.01 0.00 -0.16 0.00 0.00 57.16 57.16 2h0r n GLU 204 Cb 0.22 -1.67 0.21 0.00 1.43 0.00 0.00 31.44 31.63 2h0r n GLU 204 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2h0r h GLU 205 N 0.00 0.00 -0.02 3.44 4.81 -1.34 -2.39 114.58 119.08 2h0r h GLU 205 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2h0r h GLU 205 Cb 0.72 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.11 2h0r h GLU 205 CO 0.00 0.54 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.26 2h0r h LEU 206 N 0.00 0.47 -2.03 1.64 3.38 -1.11 -3.06 115.31 114.60 2h0r h LEU 206 Ca -0.01 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.26 2h0r h LEU 206 Cb 1.08 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2h0r h LEU 206 CO 0.07 1.14 0.07 0.11 0.09 0.00 0.00 178.44 179.92 2h0r h LYS 207 N -0.16 0.00 0.00 1.13 1.57 -1.44 0.35 116.57 118.02 2h0r h LYS 207 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2h0r h LYS 207 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2h0r h LYS 207 CO 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 2h0r n ALA 208 N -2.54 1.76 -0.48 3.86 0.00 -0.90 -1.17 120.51 121.04 2h0r n ALA 208 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2h0r n ALA 208 Cb 0.18 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.14 0.00 -1.53 0.00 8.25 0.05 -4.98 115.22 115.88 2h0r n HIS 209 Ca 0.06 -0.70 -0.13 0.00 -0.26 0.00 0.00 57.72 56.69 2h0r n HIS 209 Cb 0.06 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.88 -4.49 -4.61 0.41 3.02 -0.31 -4.86 115.26 103.54 2h0r n ASN 210 Ca 0.07 0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 54.48 2h0r n ASN 210 Cb 0.42 -3.23 -0.07 0.00 -0.61 0.00 0.00 39.78 36.29 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 -2.51 4.99 -0.01 2.41 1.01 -0.82 -4.69 121.20 121.57 2h0r s ILE 211 Ca 0.00 0.88 -0.22 0.00 0.00 0.00 0.00 60.65 61.31 2h0r s ILE 211 Cb 0.00 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 2h0r s ILE 211 CO 0.00 -0.05 0.65 0.54 0.00 0.00 0.00 174.94 176.07 2h0r s ASN 212 N 1.59 7.02 -0.84 3.58 6.03 -1.02 -2.66 114.94 128.63 2h0r s ASN 212 Ca 0.24 1.21 0.01 0.00 -1.03 0.00 0.00 52.86 53.30 2h0r s ASN 212 Cb -0.15 -2.39 0.29 0.00 -3.03 0.00 0.00 41.25 35.96 2h0r s ASN 212 CO 0.10 0.04 1.16 0.52 -2.03 0.00 0.00 177.10 176.89 2h0r n VAL 213 N 2.98 3.96 -2.90 3.54 0.31 -1.26 -2.60 118.33 122.36 2h0r n VAL 213 Ca -0.05 -5.62 -0.35 0.00 -0.01 0.00 0.00 64.34 58.31 2h0r n VAL 213 Cb 0.51 -1.97 -0.07 0.00 -0.91 0.00 0.00 33.84 31.40 2h0r n VAL 213 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2h0r s VAL 214 N -2.98 4.39 0.00 2.52 -7.23 -1.22 -4.83 120.40 111.06 2h0r s VAL 214 Ca 0.37 1.51 0.00 0.00 -1.81 0.00 0.00 61.98 62.05 2h0r s VAL 214 Cb 0.13 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.27 2h0r s VAL 214 CO 0.01 -0.04 0.53 0.47 -0.31 0.00 0.00 175.10 175.76 2h0r n ASP 215 N 0.07 0.00 -0.41 4.85 8.00 -1.26 -2.71 116.55 125.09 2h0r n ASP 215 Ca 0.03 0.56 0.14 0.00 0.71 0.00 0.00 54.79 56.23 2h0r n ASP 215 Cb 0.52 -0.15 0.59 0.00 -0.02 0.00 0.00 41.12 42.05 2h0r n ASP 215 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98