#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1r s LYS 1 N 0.00 3.34 -0.14 1.61 -0.14 0.42 -4.99 119.74 119.84 1t1r s LYS 1 Ca 0.00 -0.57 -0.15 0.00 -1.36 0.00 0.00 55.97 53.89 1t1r s LYS 1 Cb 0.00 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.36 1t1r s LYS 1 CO 0.00 0.35 0.34 -0.65 -0.76 0.00 0.00 175.35 174.64 1t1r s GLN 2 N 0.03 4.26 0.06 1.68 -1.52 -1.26 -0.66 119.66 122.25 1t1r s GLN 2 Ca -0.01 0.20 0.01 0.00 -1.95 0.00 0.00 55.36 53.60 1t1r s GLN 2 Cb -0.14 -3.42 -0.03 0.00 -0.22 0.00 0.00 33.01 29.20 1t1r s GLN 2 CO 0.03 0.24 -0.05 -0.48 -0.25 0.00 0.00 175.29 174.77 1t1r s LEU 3 N 0.45 2.40 -0.05 2.90 2.34 -0.53 -0.25 118.68 125.93 1t1r s LEU 3 Ca 0.19 -0.82 0.04 0.00 0.06 0.00 0.00 54.13 53.60 1t1r s LEU 3 Cb -0.14 -0.00 -0.03 0.00 -0.56 0.00 0.00 46.19 45.47 1t1r s LEU 3 CO 0.06 -0.41 -0.14 -0.89 -1.06 0.00 0.00 176.35 173.90 1t1r s THR 4 N -2.83 3.04 -0.28 5.48 2.01 -0.53 -0.92 115.64 121.60 1t1r s THR 4 Ca 0.01 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1t1r s THR 4 Cb -0.00 -2.19 0.07 0.00 0.01 0.00 0.00 72.50 70.39 1t1r s THR 4 CO -0.04 0.59 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 1t1r s ILE 5 N -0.68 2.31 -0.44 1.82 1.01 -0.04 -0.58 121.20 124.59 1t1r s ILE 5 Ca 0.10 -1.74 -0.26 0.00 0.00 0.00 0.00 60.65 58.75 1t1r s ILE 5 Cb -0.11 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1t1r s ILE 5 CO 0.01 -0.15 0.96 -0.76 0.00 0.00 0.00 174.94 175.00 1t1r s LEU 6 N 1.09 3.94 0.00 2.97 1.02 0.33 -0.99 118.68 127.05 1t1r s LEU 6 Ca -0.05 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.38 1t1r s LEU 6 Cb -0.20 -3.27 0.00 0.00 0.02 0.00 0.00 46.19 42.74 1t1r s LEU 6 CO -0.05 -1.04 0.00 0.61 0.02 0.00 0.00 176.35 175.89 1t1r n GLY 7 N 4.80 0.78 0.17 -3.19 0.00 0.17 -0.62 105.19 107.29 1t1r n GLY 7 Ca 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.74 1t1r n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t1r h SER 8 N 0.00 0.00 0.79 1.61 4.64 -1.06 -3.22 113.55 116.31 1t1r h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t1r h SER 8 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1t1r h SER 8 CO 0.00 0.45 -0.10 0.35 -0.87 0.00 0.00 176.83 176.66 1t1r n THR 9 N -3.46 0.00 -0.86 2.95 -2.24 -1.26 -3.15 114.28 106.26 1t1r n THR 9 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1t1r n THR 9 Cb 0.59 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1t1r n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t1r n GLY 10 N 1.45 -1.43 0.21 3.38 0.00 -1.22 -4.79 105.19 102.79 1t1r n GLY 10 Ca 0.09 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1t1r n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1t1r h SER 11 N -0.23 -0.39 -0.61 1.61 0.87 -1.89 -2.33 113.55 110.58 1t1r h SER 11 Ca 0.00 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1t1r h SER 11 Cb 0.00 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1t1r h SER 11 CO 0.00 -0.05 0.37 0.40 -0.53 0.00 0.00 176.83 177.02 1t1r h ILE 12 N -0.75 1.07 -0.58 2.23 5.03 -1.93 -1.62 117.51 120.95 1t1r h ILE 12 Ca -0.05 -0.25 0.07 0.00 -0.12 0.00 0.00 64.86 64.51 1t1r h ILE 12 Cb 0.51 0.27 -0.06 0.00 -3.03 0.00 0.00 36.82 34.51 1t1r h ILE 12 CO 0.08 0.13 0.27 1.23 -0.68 0.00 0.00 178.15 179.18 1t1r h GLY 13 N 0.73 0.82 1.00 5.37 0.00 -1.64 -0.31 103.07 109.04 1t1r h GLY 13 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1t1r h GLY 13 CO -0.11 0.06 -0.03 0.00 0.00 0.00 0.00 176.54 176.47 1t1r h SER 15 N 0.69 0.58 -0.34 0.00 0.02 -0.84 -1.21 113.55 112.45 1t1r h SER 15 Ca 0.13 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1t1r h SER 15 Cb 0.54 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1t1r h SER 15 CO 0.03 0.45 0.03 0.74 -1.14 0.00 0.00 176.83 176.94 1t1r h THR 16 N 0.67 1.24 0.00 -2.27 2.02 -0.61 -2.46 112.91 111.51 1t1r h THR 16 Ca 0.18 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 1t1r h THR 16 Cb -0.03 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1t1r h THR 16 CO -0.03 0.29 -0.33 -0.07 0.37 0.00 0.00 175.52 175.74 1t1r h LEU 17 N 0.39 0.00 -0.86 2.58 -0.00 -0.70 -1.65 115.31 115.07 1t1r h LEU 17 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.89 1t1r h LEU 17 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 1t1r h LEU 17 CO 0.01 0.33 -0.16 -0.78 -0.00 0.00 0.00 178.44 177.84 1t1r h ASP 18 N 0.00 0.66 -0.23 -0.43 1.82 -0.99 0.66 116.42 117.92 1t1r h ASP 18 Ca -0.00 -0.21 -0.12 0.00 -0.39 0.00 0.00 57.03 56.31 1t1r h ASP 18 Cb 0.59 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1t1r h ASP 18 CO 0.04 0.84 -0.27 0.58 -1.61 0.00 0.00 179.24 178.82 1t1r h VAL 19 N 0.60 1.28 -0.30 2.25 2.07 -0.94 -0.99 116.25 120.22 1t1r h VAL 19 Ca 0.10 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 1t1r h VAL 19 Cb 0.61 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1t1r h VAL 19 CO 0.04 0.46 -0.03 0.58 0.02 0.00 0.00 177.57 178.63 1t1r h VAL 20 N 0.61 1.27 -0.06 2.57 2.07 -0.60 -1.75 116.25 120.36 1t1r h VAL 20 Ca 0.08 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1t1r h VAL 20 Cb 0.77 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1t1r h VAL 20 CO 0.06 0.33 0.05 -0.09 0.02 0.00 0.00 177.57 177.94 1t1r h ARG 21 N 0.33 0.00 0.00 1.57 2.43 0.57 0.38 114.38 119.66 1t1r h ARG 21 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1t1r h ARG 21 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1t1r h ARG 21 CO 0.02 0.00 -0.24 0.45 -1.51 0.00 0.00 179.97 178.69 1t1r h HIS 22 N 0.00 0.00 -1.99 2.20 3.86 -0.58 -3.38 115.15 115.26 1t1r h HIS 22 Ca 0.03 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.75 1t1r h HIS 22 Cb 0.13 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.21 1t1r h HIS 22 CO 0.00 0.00 -1.18 0.09 0.86 0.00 0.00 177.93 177.70 1t1r n ASN 23 N -2.29 0.73 -0.26 2.45 4.13 0.08 -4.90 115.26 115.21 1t1r n ASN 23 Ca 0.04 -2.97 0.04 0.00 1.68 0.00 0.00 54.58 53.38 1t1r n ASN 23 Cb 0.44 -0.61 0.14 0.00 -1.54 0.00 0.00 39.78 38.22 1t1r n ASN 23 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1t1r h PRO 24 N 3.13 0.06 0.00 3.52 0.11 -1.65 0.06 132.00 137.23 1t1r h PRO 24 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1t1r h PRO 24 Cb 0.96 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1t1r h PRO 24 CO 0.49 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 1t1r n GLU 25 N -5.40 0.07 -0.07 1.05 -0.00 -1.26 -3.58 120.64 111.44 1t1r n GLU 25 Ca 0.13 0.31 -0.05 0.00 -0.00 0.00 0.00 57.16 57.55 1t1r n GLU 25 Cb 0.46 -1.63 -0.15 0.00 -0.00 0.00 0.00 31.44 30.12 1t1r n GLU 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1t1r n HIS 26 N -1.77 0.00 -4.43 -1.84 8.25 -0.01 -3.90 115.22 111.53 1t1r n HIS 26 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.29 1t1r n HIS 26 Cb 0.19 -0.81 -0.15 0.00 1.12 0.00 0.00 29.99 30.35 1t1r n HIS 26 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1t1r s PHE 27 N -2.64 0.96 -0.12 4.41 0.40 -1.11 -0.44 117.98 119.44 1t1r s PHE 27 Ca -0.09 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1t1r s PHE 27 Cb 0.07 -0.65 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1t1r s PHE 27 CO 0.77 -0.06 -0.17 0.50 0.70 0.00 0.00 175.22 176.96 1t1r s ARG 28 N -0.03 2.42 -0.40 0.44 3.52 0.16 -4.78 118.95 120.27 1t1r s ARG 28 Ca 0.00 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.69 1t1r s ARG 28 Cb -0.06 -2.05 0.02 0.00 -1.56 0.00 0.00 34.95 31.30 1t1r s ARG 28 CO 0.00 -0.08 1.14 0.08 -0.81 0.00 0.00 175.30 175.63 1t1r s VAL 29 N 1.02 4.30 -0.09 7.11 1.01 -1.26 -1.45 120.40 131.04 1t1r s VAL 29 Ca -0.05 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 1t1r s VAL 29 Cb -0.15 -4.49 -0.27 0.00 0.00 0.00 0.00 36.38 31.48 1t1r s VAL 29 CO -0.03 -0.76 0.50 0.58 0.00 0.00 0.00 175.10 175.39 1t1r h VAL 30 N 6.03 0.75 -2.84 2.92 2.07 -1.40 -3.37 116.25 120.42 1t1r h VAL 30 Ca -0.22 -2.46 -0.13 0.00 0.82 0.00 0.00 66.70 64.70 1t1r h VAL 30 Cb 1.06 2.56 -0.25 0.00 -1.52 0.00 0.00 31.29 33.15 1t1r h VAL 30 CO 1.08 0.83 -0.29 0.00 0.02 0.00 0.00 177.57 179.22 1t1r s ALA 31 N -2.57 -0.91 -0.11 1.67 0.00 -1.15 -0.32 121.76 118.36 1t1r s ALA 31 Ca -0.17 1.05 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1t1r s ALA 31 Cb 0.07 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1t1r s ALA 31 CO 0.80 -0.18 -0.22 -0.51 0.00 0.00 0.00 175.76 175.65 1t1r s LEU 32 N 0.24 2.19 -0.05 0.00 1.43 -1.02 -0.86 118.68 120.60 1t1r s LEU 32 Ca -0.00 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1t1r s LEU 32 Cb -0.03 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1t1r s LEU 32 CO 0.00 0.14 -0.20 -0.69 0.23 0.00 0.00 176.35 175.83 1t1r s VAL 33 N 0.44 1.66 0.13 -1.59 1.01 -0.16 -2.00 120.40 119.90 1t1r s VAL 33 Ca -0.15 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1t1r s VAL 33 Cb -0.17 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1t1r s VAL 33 CO 0.06 0.47 0.18 0.00 0.00 0.00 0.00 175.10 175.81 1t1r n ALA 34 N 3.08 -0.10 -1.63 5.51 0.00 -0.45 0.43 120.51 127.35 1t1r n ALA 34 Ca -0.18 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1t1r n ALA 34 Cb 0.53 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1t1r n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t1r n GLY 35 N -0.22 0.51 0.00 0.00 0.00 -1.26 -2.63 105.19 101.59 1t1r n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t1r n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t1r n LYS 36 N -0.02 0.37 -1.11 1.61 5.02 -1.26 0.44 118.16 123.21 1t1r n LYS 36 Ca 0.00 -0.22 -0.36 0.00 -2.02 0.00 0.00 58.31 55.70 1t1r n LYS 36 Cb 0.00 -0.68 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 1t1r n LYS 36 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1t1r n ASN 37 N -0.12 3.84 -0.05 4.39 2.85 -1.26 -4.68 115.26 120.23 1t1r n ASN 37 Ca 0.00 -2.58 0.11 0.00 -0.11 0.00 0.00 54.58 51.99 1t1r n ASN 37 Cb 0.09 -1.21 0.50 0.00 1.24 0.00 0.00 39.78 40.39 1t1r n ASN 37 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1t1r h VAL 38 N 4.00 0.93 -0.09 3.44 -1.51 -1.91 -2.60 116.25 118.51 1t1r h VAL 38 Ca 0.49 -0.14 0.04 0.00 -1.23 0.00 0.00 66.70 65.87 1t1r h VAL 38 Cb 0.48 0.49 -0.05 0.00 -2.13 0.00 0.00 31.29 30.08 1t1r h VAL 38 CO 1.78 0.07 -0.23 0.74 -1.23 0.00 0.00 177.57 178.71 1t1r h THR 39 N 0.40 0.45 -0.26 7.19 2.02 -1.99 -1.58 112.91 119.15 1t1r h THR 39 Ca 0.24 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.25 1t1r h THR 39 Cb 0.43 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1t1r h THR 39 CO -0.06 0.00 -0.52 0.03 0.37 0.00 0.00 175.52 175.34 1t1r h ARG 40 N -0.31 0.74 -0.40 6.66 3.08 -1.92 -2.92 114.38 119.32 1t1r h ARG 40 Ca 0.09 -0.45 0.10 0.00 0.07 0.00 0.00 59.98 59.79 1t1r h ARG 40 Cb 0.44 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1t1r h ARG 40 CO -0.27 1.08 0.28 1.98 -1.07 0.00 0.00 179.97 181.97 1t1r h MET 41 N 0.58 0.05 0.41 0.04 4.05 -1.10 -0.52 114.93 118.44 1t1r h MET 41 Ca 0.02 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1t1r h MET 41 Cb 1.09 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1t1r h MET 41 CO 0.11 0.03 -0.20 0.28 0.23 0.00 0.00 176.91 177.37 1t1r h VAL 42 N 0.05 0.50 -0.76 -5.77 2.07 -1.09 -1.10 116.25 110.15 1t1r h VAL 42 Ca 0.19 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1t1r h VAL 42 Cb 0.68 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1t1r h VAL 42 CO -0.01 0.08 0.47 -0.33 0.02 0.00 0.00 177.57 177.80 1t1r h GLU 43 N -0.89 0.87 -0.35 1.57 4.39 -1.41 0.45 114.58 119.20 1t1r h GLU 43 Ca -0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1t1r h GLU 43 Cb 0.55 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1t1r h GLU 43 CO 0.09 0.57 0.15 1.96 -1.16 0.00 0.00 179.01 180.63 1t1r h GLN 44 N 0.89 0.51 -0.69 2.33 4.20 -1.14 0.31 115.11 121.53 1t1r h GLN 44 Ca 0.32 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1t1r h GLN 44 Cb 0.09 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1t1r h GLN 44 CO -0.14 0.49 0.24 0.00 -0.67 0.00 0.00 178.83 178.75 1t1r h LEU 46 N 1.01 0.31 -0.53 0.00 3.38 -0.64 -0.01 115.31 118.82 1t1r h LEU 46 Ca 0.23 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1t1r h LEU 46 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1t1r h LEU 46 CO -0.01 0.57 -0.42 -0.08 0.09 0.00 0.00 178.44 178.59 1t1r h GLU 47 N 0.05 0.72 -0.02 1.13 4.81 -0.72 -3.34 114.58 117.22 1t1r h GLU 47 Ca 0.05 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1t1r h GLU 47 Cb 0.42 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1t1r h GLU 47 CO 0.01 1.00 -0.03 1.19 -0.73 0.00 0.00 179.01 180.45 1t1r n PHE 48 N -4.03 0.00 -4.07 0.92 3.01 0.17 -5.02 117.46 108.43 1t1r n PHE 48 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.07 1t1r n PHE 48 Cb 0.54 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.99 1t1r n PHE 48 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1t1r n SER 49 N 0.66 -2.30 -4.61 4.37 7.64 -0.02 -4.64 113.62 114.73 1t1r n SER 49 Ca 0.08 -1.22 -0.29 0.00 1.01 0.00 0.00 58.87 58.45 1t1r n SER 49 Cb 0.34 -2.08 0.20 0.00 -1.01 0.00 0.00 64.21 61.65 1t1r n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t1r s PRO 50 N -7.10 0.05 -0.03 1.43 0.04 -1.26 -4.94 135.00 123.20 1t1r s PRO 50 Ca 0.28 0.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 1t1r s PRO 50 Cb -0.14 -1.67 -0.29 0.00 0.04 0.00 0.00 34.50 32.44 1t1r s PRO 50 CO 0.95 -3.05 0.75 -0.09 0.04 0.00 0.00 177.00 175.60 1t1r h ARG 51 N -2.14 0.30 -5.27 4.56 2.43 -0.84 -3.39 114.38 110.03 1t1r h ARG 51 Ca -0.56 -0.51 -0.40 0.00 -0.81 0.00 0.00 59.98 57.71 1t1r h ARG 51 Cb 1.32 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 30.91 1t1r h ARG 51 CO 0.53 1.17 -0.70 0.71 -1.51 0.00 0.00 179.97 180.17 1t1r s TYR 52 N -2.60 1.55 -0.21 2.20 1.51 -0.93 -1.60 117.35 117.27 1t1r s TYR 52 Ca -0.12 -0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 55.07 1t1r s TYR 52 Cb 0.06 -0.81 0.06 0.00 -0.11 0.00 0.00 41.96 41.17 1t1r s TYR 52 CO 0.85 0.16 0.53 0.00 -1.11 0.00 0.00 175.55 175.98 1t1r s ALA 53 N -3.20 -1.37 0.02 3.71 0.00 -0.72 -2.45 121.76 117.75 1t1r s ALA 53 Ca 0.23 1.79 0.04 0.00 0.00 0.00 0.00 51.96 54.02 1t1r s ALA 53 Cb 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1t1r s ALA 53 CO 0.06 -0.30 -0.11 0.14 0.00 0.00 0.00 175.76 175.55 1t1r s VAL 54 N 1.18 0.87 0.30 0.00 -7.23 -0.85 -0.38 120.40 114.30 1t1r s VAL 54 Ca -0.07 -0.80 0.11 0.00 -1.81 0.00 0.00 61.98 59.41 1t1r s VAL 54 Cb -0.06 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 36.03 1t1r s VAL 54 CO -0.11 0.00 -0.16 -0.04 -0.31 0.00 0.00 175.10 174.48 1t1r s MET 55 N -0.89 1.72 0.09 4.82 -1.94 -0.79 -1.34 119.30 120.97 1t1r s MET 55 Ca 0.00 -1.83 -0.25 0.00 -1.71 0.00 0.00 55.69 51.90 1t1r s MET 55 Cb -0.07 -1.72 -0.09 0.00 2.01 0.00 0.00 34.83 34.96 1t1r s MET 55 CO 0.01 0.25 1.42 0.22 -0.01 0.00 0.00 175.02 176.90 1t1r h ASP 56 N 2.19 -1.34 -2.15 3.03 3.58 0.24 -2.69 116.42 119.27 1t1r h ASP 56 Ca -0.41 0.16 -0.59 0.00 0.42 0.00 0.00 57.03 56.62 1t1r h ASP 56 Cb 1.25 0.53 -0.12 0.00 1.72 0.00 0.00 39.33 42.72 1t1r h ASP 56 CO 0.64 -0.35 -0.69 1.51 -2.88 0.00 0.00 179.24 177.47 1t1r s ASP 57 N -4.35 4.01 0.39 2.28 1.47 -1.26 -2.96 116.67 116.25 1t1r s ASP 57 Ca -0.11 -0.90 0.11 0.00 1.18 0.00 0.00 52.55 52.82 1t1r s ASP 57 Cb 0.06 -0.52 0.89 0.00 -0.34 0.00 0.00 42.92 43.01 1t1r s ASP 57 CO 0.46 -0.03 1.91 -0.08 0.68 0.00 0.00 175.17 178.11 1t1r h GLU 58 N 2.06 0.58 0.94 2.11 4.81 -1.93 -1.24 114.58 121.90 1t1r h GLU 58 Ca -0.42 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 1t1r h GLU 58 Cb 1.25 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.51 1t1r h GLU 58 CO 0.62 0.38 -0.45 0.00 -0.73 0.00 0.00 179.01 178.83 1t1r h ALA 59 N 1.62 -1.27 -0.94 2.92 0.00 -1.98 0.65 119.26 120.26 1t1r h ALA 59 Ca 0.38 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.20 1t1r h ALA 59 Cb 0.66 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1t1r h ALA 59 CO -0.15 -1.18 0.60 1.03 0.00 0.00 0.00 179.25 179.56 1t1r h SER 60 N -1.33 0.61 -0.13 0.00 0.87 -1.85 -0.49 113.55 111.23 1t1r h SER 60 Ca -0.13 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 1t1r h SER 60 Cb 0.97 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1t1r h SER 60 CO 0.21 0.25 -0.55 0.00 -0.53 0.00 0.00 176.83 176.21 1t1r h ALA 61 N 1.61 0.25 -0.63 6.23 0.00 -0.97 -2.35 119.26 123.40 1t1r h ALA 61 Ca 0.50 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1t1r h ALA 61 Cb 0.95 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1t1r h ALA 61 CO -0.25 0.46 0.30 -0.22 0.00 0.00 0.00 179.25 179.54 1t1r h LYS 62 N 0.26 0.53 -0.47 0.00 1.63 0.18 0.13 116.57 118.83 1t1r h LYS 62 Ca -0.03 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.63 1t1r h LYS 62 Cb 1.19 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 1t1r h LYS 62 CO 0.12 0.35 -0.12 1.25 -3.45 0.00 0.00 179.45 177.59 1t1r h LEU 63 N 0.55 0.88 -0.44 5.20 5.85 -1.18 -2.83 115.31 123.34 1t1r h LEU 63 Ca 0.30 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1t1r h LEU 63 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1t1r h LEU 63 CO -0.23 1.01 0.01 0.25 -0.34 0.00 0.00 178.44 179.14 1t1r h LEU 64 N 0.79 0.75 -0.61 2.25 5.85 -0.74 -2.63 115.31 120.97 1t1r h LEU 64 Ca 0.13 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1t1r h LEU 64 Cb 0.64 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1t1r h LEU 64 CO 0.04 0.87 0.31 0.50 -0.34 0.00 0.00 178.44 179.83 1t1r h LYS 65 N 0.61 0.56 0.01 1.25 3.64 -0.67 -0.20 116.57 121.78 1t1r h LYS 65 Ca 0.13 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1t1r h LYS 65 Cb 0.48 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1t1r h LYS 65 CO 0.02 0.37 -0.00 1.15 -2.27 0.00 0.00 179.45 178.72 1t1r h THR 66 N 0.58 1.01 -0.41 1.00 2.02 -1.37 -1.09 112.91 114.65 1t1r h THR 66 Ca 0.28 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 1t1r h THR 66 Cb 0.21 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1t1r h THR 66 CO -0.20 0.02 -0.05 0.24 0.37 0.00 0.00 175.52 175.89 1t1r h MET 67 N -0.04 0.69 -0.52 6.66 2.86 -1.15 0.24 114.93 123.67 1t1r h MET 67 Ca -0.00 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 1t1r h MET 67 Cb 0.04 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1t1r h MET 67 CO 0.00 0.74 -0.02 -0.07 1.06 0.00 0.00 176.91 178.62 1t1r h LEU 68 N 0.64 0.92 0.21 1.22 3.38 -0.85 0.21 115.31 121.04 1t1r h LEU 68 Ca 0.12 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1t1r h LEU 68 Cb 0.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1t1r h LEU 68 CO 0.02 1.01 -0.10 -0.61 0.09 0.00 0.00 178.44 178.86 1t1r h GLN 69 N 0.80 -0.27 -0.17 1.13 -0.00 -0.88 0.87 115.11 116.59 1t1r h GLN 69 Ca 0.14 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.86 1t1r h GLN 69 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1t1r h GLN 69 CO 0.03 0.03 0.13 0.37 0.00 0.00 0.00 178.83 179.39 1t1r h GLN 70 N -0.58 0.00 -0.02 1.69 4.15 -0.44 -0.84 115.11 119.07 1t1r h GLN 70 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1t1r h GLN 70 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1t1r h GLN 70 CO 0.05 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.89 1t1r n GLN 71 N -4.40 1.88 -0.70 1.69 -0.06 0.75 -4.94 117.38 111.60 1t1r n GLN 71 Ca 0.01 -1.27 0.00 0.00 -2.00 0.00 0.00 57.00 53.74 1t1r n GLN 71 Cb 0.26 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 1t1r n GLN 71 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1t1r n GLY 72 N 1.23 0.62 3.77 1.69 0.00 -0.32 -5.04 105.19 107.14 1t1r n GLY 72 Ca 0.17 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1t1r n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t1r s SER 73 N -2.22 7.46 0.00 1.61 0.15 0.30 -4.98 113.70 116.01 1t1r s SER 73 Ca 0.00 1.83 0.23 0.00 0.70 0.00 0.00 55.95 58.71 1t1r s SER 73 Cb 0.00 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 1t1r s SER 73 CO 0.00 0.08 1.16 0.54 1.20 0.00 0.00 173.24 176.22 1t1r n ARG 74 N 1.14 0.33 -1.69 5.44 1.74 -1.26 -4.28 116.66 118.07 1t1r n ARG 74 Ca -0.01 -0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.40 1t1r n ARG 74 Cb 0.49 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1t1r n ARG 74 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1t1r n THR 75 N -1.12 2.06 -3.33 0.55 -2.24 -1.26 -4.96 114.28 103.98 1t1r n THR 75 Ca 0.06 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 1t1r n THR 75 Cb 0.36 -1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.00 1t1r n THR 75 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1t1r s GLU 76 N -1.90 4.28 -0.09 -0.78 2.12 -0.63 -4.95 118.70 116.76 1t1r s GLU 76 Ca 0.56 0.47 -0.13 0.00 0.36 0.00 0.00 54.97 56.23 1t1r s GLU 76 Cb -0.57 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 1t1r s GLU 76 CO 0.62 0.25 0.31 0.08 -0.54 0.00 0.00 175.26 175.98 1t1r s VAL 77 N 0.30 5.24 0.29 3.70 1.01 -1.26 -1.76 120.40 127.93 1t1r s VAL 77 Ca 0.26 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.87 1t1r s VAL 77 Cb -0.16 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1t1r s VAL 77 CO 0.11 0.50 0.08 -0.76 0.00 0.00 0.00 175.10 175.04 1t1r s LEU 78 N -0.38 1.87 0.08 3.92 1.43 0.49 -4.97 118.68 121.13 1t1r s LEU 78 Ca 0.19 -1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 51.77 1t1r s LEU 78 Cb -0.14 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.95 1t1r s LEU 78 CO 0.08 -0.69 0.28 -0.94 0.23 0.00 0.00 176.35 175.30 1t1r s SER 79 N -3.40 -0.05 0.00 2.29 1.04 -1.26 -1.89 113.70 110.43 1t1r s SER 79 Ca 0.37 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1t1r s SER 79 Cb 0.08 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1t1r s SER 79 CO 0.15 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1t1r n GLY 80 N 0.11 2.37 0.28 7.32 0.00 -1.02 -4.44 105.19 109.83 1t1r n GLY 80 Ca -0.17 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 1t1r n GLY 80 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1t1r h GLN 81 N 0.00 0.93 -0.56 1.61 4.15 -1.90 -2.04 115.11 117.30 1t1r h GLN 81 Ca 0.00 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 59.02 1t1r h GLN 81 Cb 0.00 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1t1r h GLN 81 CO 0.00 1.01 0.18 1.96 -1.93 0.00 0.00 178.83 180.05 1t1r h GLN 82 N 0.82 0.83 -0.16 1.69 4.20 -1.99 0.18 115.11 120.67 1t1r h GLN 82 Ca 0.12 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1t1r h GLN 82 Cb 0.70 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1t1r h GLN 82 CO 0.05 0.72 -0.49 0.00 -0.67 0.00 0.00 178.83 178.44 1t1r h ALA 83 N 1.38 0.85 -0.51 3.87 0.00 -1.74 0.23 119.26 123.34 1t1r h ALA 83 Ca 0.19 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1t1r h ALA 83 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1t1r h ALA 83 CO -0.01 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.14 1t1r h ALA 84 N 1.12 0.66 -0.32 0.00 0.00 -0.53 -2.06 119.26 118.13 1t1r h ALA 84 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1t1r h ALA 84 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1t1r h ALA 84 CO 0.09 0.23 -0.28 0.00 0.00 0.00 0.00 179.25 179.29 1t1r h ASP 86 N 0.56 0.33 0.58 0.00 3.32 -0.49 -2.12 116.42 118.61 1t1r h ASP 86 Ca 0.07 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1t1r h ASP 86 Cb 0.77 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1t1r h ASP 86 CO 0.06 0.36 -0.49 0.24 -1.72 0.00 0.00 179.24 177.69 1t1r h MET 87 N 0.36 0.00 0.00 3.56 2.86 -1.22 -2.40 114.93 118.08 1t1r h MET 87 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1t1r h MET 87 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1t1r h MET 87 CO -0.00 0.49 0.00 0.00 1.06 0.00 0.00 176.91 178.46 1t1r h ALA 88 N 1.51 1.00 -0.25 6.32 0.00 -1.37 -3.23 119.26 123.23 1t1r h ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t1r h ALA 88 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1t1r h ALA 88 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1t1r n ALA 89 N -1.81 2.19 -1.67 0.00 0.00 -0.96 -4.07 120.51 114.19 1t1r n ALA 89 Ca 0.05 -1.05 -0.46 0.00 0.00 0.00 0.00 53.44 51.98 1t1r n ALA 89 Cb 0.41 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1t1r n ALA 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t1r n LEU 90 N 0.37 3.07 -0.29 0.00 4.77 -0.95 -4.86 117.00 119.12 1t1r n LEU 90 Ca 0.09 1.08 0.16 0.00 -0.03 0.00 0.00 56.01 57.31 1t1r n LEU 90 Cb 0.38 -1.42 0.43 0.00 -2.33 0.00 0.00 43.42 40.48 1t1r n LEU 90 CO 0.06 -0.30 1.22 -0.08 -1.33 0.00 0.00 177.39 176.96 1t1r h GLU 91 N 6.08 0.54 -0.38 3.23 4.81 -1.95 -1.53 114.58 125.39 1t1r h GLU 91 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1t1r h GLU 91 Cb 1.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1t1r h GLU 91 CO 0.89 0.36 0.00 -0.40 -0.73 0.00 0.00 179.01 179.13 1t1r n ASP 92 N -4.60 1.93 -4.78 1.04 3.85 -1.26 -4.87 116.55 107.85 1t1r n ASP 92 Ca 0.21 -2.03 -0.36 0.00 -0.71 0.00 0.00 54.79 51.89 1t1r n ASP 92 Cb 0.64 -0.26 -0.07 0.00 -1.35 0.00 0.00 41.12 40.08 1t1r n ASP 92 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1t1r s VAL 93 N -1.57 5.38 -0.19 2.12 1.01 -0.58 -4.67 120.40 121.91 1t1r s VAL 93 Ca 0.23 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 1t1r s VAL 93 Cb 0.12 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 1t1r s VAL 93 CO 0.15 0.49 -0.09 0.47 0.00 0.00 0.00 175.10 176.12 1t1r n ASP 94 N 2.92 1.87 -4.33 3.32 10.43 0.65 -4.91 116.55 126.50 1t1r n ASP 94 Ca -0.16 0.47 -0.30 0.00 2.57 0.00 0.00 54.79 57.37 1t1r n ASP 94 Cb 0.53 -0.88 -0.15 0.00 1.84 0.00 0.00 41.12 42.46 1t1r n ASP 94 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1t1r s GLN 95 N -2.42 1.91 -0.23 -1.24 -0.21 -0.81 -1.87 119.66 114.79 1t1r s GLN 95 Ca -0.26 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.10 1t1r s GLN 95 Cb 0.06 -1.99 0.06 0.00 1.00 0.00 0.00 33.01 32.14 1t1r s GLN 95 CO 0.42 0.53 -0.06 0.54 -2.12 0.00 0.00 175.29 174.60 1t1r s VAL 96 N -0.73 1.54 -0.57 1.09 0.11 -0.38 -1.46 120.40 120.01 1t1r s VAL 96 Ca 0.11 -1.20 -0.27 0.00 -2.93 0.00 0.00 61.98 57.68 1t1r s VAL 96 Cb -0.10 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1t1r s VAL 96 CO 0.01 -0.07 1.54 -0.32 -3.33 0.00 0.00 175.10 172.93 1t1r s MET 97 N 1.39 3.14 -1.03 1.54 1.75 0.25 -1.35 119.30 124.99 1t1r s MET 97 Ca -0.05 0.52 -0.18 0.00 -1.25 0.00 0.00 55.69 54.73 1t1r s MET 97 Cb -0.19 -4.20 0.13 0.00 2.84 0.00 0.00 34.83 33.42 1t1r s MET 97 CO -0.06 -2.13 1.26 0.00 -0.65 0.00 0.00 175.02 173.44 1t1r s ALA 98 N 6.81 3.49 -0.19 4.11 0.00 -0.04 -0.51 121.76 135.43 1t1r s ALA 98 Ca 0.57 -2.90 0.17 0.00 0.00 0.00 0.00 51.96 49.80 1t1r s ALA 98 Cb -0.12 -4.13 0.46 0.00 0.00 0.00 0.00 23.12 19.33 1t1r s ALA 98 CO 0.24 -2.99 1.35 0.00 0.00 0.00 0.00 175.76 174.36 1t1r n ALA 99 N 6.56 2.79 -2.70 0.00 0.00 0.21 -1.78 120.51 125.60 1t1r n ALA 99 Ca 0.29 -2.33 -0.39 0.00 0.00 0.00 0.00 53.44 51.01 1t1r n ALA 99 Cb 0.47 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 1t1r n ALA 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1t1r s ILE 100 N -2.76 5.10 0.36 0.00 1.01 -0.98 -4.60 121.20 119.33 1t1r s ILE 100 Ca 0.39 1.14 0.04 0.00 0.00 0.00 0.00 60.65 62.22 1t1r s ILE 100 Cb 0.32 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1t1r s ILE 100 CO 0.08 0.23 0.53 0.54 0.00 0.00 0.00 174.94 176.31 1t1r s VAL 101 N 1.12 4.22 0.00 2.92 0.11 -1.26 -4.57 120.40 122.94 1t1r s VAL 101 Ca 0.29 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1t1r s VAL 101 Cb -0.16 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1t1r s VAL 101 CO 0.12 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 1t1r n GLY 102 N -1.76 -1.81 0.39 6.54 0.00 -1.26 -4.05 105.19 103.24 1t1r n GLY 102 Ca -0.01 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.83 1t1r n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t1r h ALA 103 N -0.09 2.03 -2.42 4.61 0.00 -1.98 -3.38 119.26 118.03 1t1r h ALA 103 Ca 0.00 0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.48 1t1r h ALA 103 Cb 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 17.79 17.88 1t1r h ALA 103 CO 0.00 -0.34 0.28 0.00 0.00 0.00 0.00 179.25 179.18 1t1r s ALA 104 N -5.58 1.65 0.00 0.00 0.00 -1.26 -3.04 121.76 113.54 1t1r s ALA 104 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1t1r s ALA 104 Cb 0.23 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1t1r s ALA 104 CO 0.79 -2.31 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1t1r n GLY 105 N -1.79 2.08 0.23 0.00 0.00 -1.26 -4.53 105.19 99.93 1t1r n GLY 105 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1t1r n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t1r h LEU 106 N 0.00 -0.43 -0.97 0.99 5.85 -1.71 -1.82 115.31 117.22 1t1r h LEU 106 Ca 0.00 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1t1r h LEU 106 Cb 0.00 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1t1r h LEU 106 CO 0.00 -0.00 0.13 -0.07 -0.34 0.00 0.00 178.44 178.16 1t1r h LEU 107 N -1.00 0.83 -0.78 2.25 3.38 -1.86 -0.88 115.31 117.24 1t1r h LEU 107 Ca -0.05 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1t1r h LEU 107 Cb 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1t1r h LEU 107 CO 0.09 0.81 -0.06 -0.65 0.09 0.00 0.00 178.44 178.72 1t1r h PRO 108 N 0.85 0.87 -0.02 1.13 0.11 -1.91 0.14 132.00 133.17 1t1r h PRO 108 Ca 0.18 -0.27 -0.17 0.00 0.11 0.00 0.00 66.00 65.85 1t1r h PRO 108 Cb 0.32 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1t1r h PRO 108 CO 0.00 0.90 -0.74 1.79 -0.21 0.00 0.00 178.00 179.75 1t1r h THR 109 N 0.79 1.46 0.00 -1.15 1.35 -1.07 -2.59 112.91 111.71 1t1r h THR 109 Ca 0.14 -2.34 -0.09 0.00 -0.55 0.00 0.00 66.41 63.56 1t1r h THR 109 Cb 0.55 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1t1r h THR 109 CO 0.03 0.68 -0.44 0.25 -0.25 0.00 0.00 175.52 175.79 1t1r h LEU 110 N 0.10 0.00 -0.57 3.87 5.85 -0.84 -1.77 115.31 121.96 1t1r h LEU 110 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1t1r h LEU 110 Cb 1.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1t1r h LEU 110 CO 0.11 0.44 0.17 0.00 -0.34 0.00 0.00 178.44 178.82 1t1r h ALA 111 N 1.56 0.74 -0.21 1.25 0.00 -0.40 0.50 119.26 122.69 1t1r h ALA 111 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1t1r h ALA 111 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1t1r h ALA 111 CO 0.06 0.41 -0.41 0.00 0.00 0.00 0.00 179.25 179.31 1t1r h ALA 112 N 1.04 0.90 0.01 0.00 0.00 -1.08 -1.89 119.26 118.24 1t1r h ALA 112 Ca 0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1t1r h ALA 112 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1t1r h ALA 112 CO -0.00 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.70 1t1r h ILE 113 N 0.41 1.26 -0.15 0.00 2.04 -1.07 -2.49 117.51 117.50 1t1r h ILE 113 Ca 0.03 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1t1r h ILE 113 Cb 0.90 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1t1r h ILE 113 CO 0.08 0.21 0.19 0.03 0.00 0.00 0.00 178.15 178.65 1t1r h ARG 114 N -0.37 0.00 -0.19 2.37 -0.00 -0.78 0.17 114.38 115.59 1t1r h ARG 114 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1t1r h ARG 114 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1t1r h ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.97 1t1r n ALA 115 N -2.29 2.50 -1.36 0.04 0.00 -0.72 -4.93 120.51 113.75 1t1r n ALA 115 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1t1r n ALA 115 Cb 0.30 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 1t1r n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t1r n GLY 116 N 1.23 1.32 3.92 0.00 0.00 0.60 -5.01 105.19 107.26 1t1r n GLY 116 Ca 0.17 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1t1r n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1r s LYS 117 N -3.01 2.06 -0.31 1.61 1.02 -0.96 -4.42 119.74 115.72 1t1r s LYS 117 Ca 0.00 -0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.55 1t1r s LYS 117 Cb 0.00 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1t1r s LYS 117 CO 0.00 -1.39 0.98 0.99 -0.92 0.00 0.00 175.35 175.01 1t1r s THR 118 N -3.36 4.61 -0.25 2.17 2.01 -0.78 -2.68 115.64 117.35 1t1r s THR 118 Ca 0.61 1.55 -0.12 0.00 0.31 0.00 0.00 61.69 64.04 1t1r s THR 118 Cb -0.10 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1t1r s THR 118 CO 0.46 -0.40 0.24 -0.63 -0.69 0.00 0.00 174.62 173.61 1t1r s ILE 119 N 3.41 5.29 -0.87 1.82 1.09 0.89 -1.25 121.20 131.56 1t1r s ILE 119 Ca 0.41 0.33 -0.19 0.00 -1.10 0.00 0.00 60.65 60.10 1t1r s ILE 119 Cb -0.13 -3.58 0.13 0.00 -1.06 0.00 0.00 42.46 37.82 1t1r s ILE 119 CO 0.14 0.27 1.07 -0.76 -0.10 0.00 0.00 174.94 175.56 1t1r s LEU 120 N 1.50 5.07 -0.52 2.97 1.02 -0.46 -0.57 118.68 127.68 1t1r s LEU 120 Ca 0.10 -1.91 -0.28 0.00 0.02 0.00 0.00 54.13 52.06 1t1r s LEU 120 Cb -0.15 -2.39 0.01 0.00 0.02 0.00 0.00 46.19 43.69 1t1r s LEU 120 CO 0.08 -1.09 1.43 -0.22 0.02 0.00 0.00 176.35 176.57 1t1r s LEU 121 N 2.74 3.44 -0.33 1.79 2.96 -0.40 -0.86 118.68 128.03 1t1r s LEU 121 Ca 0.30 0.43 0.13 0.00 -0.22 0.00 0.00 54.13 54.77 1t1r s LEU 121 Cb -0.08 -3.16 0.46 0.00 0.50 0.00 0.00 46.19 43.92 1t1r s LEU 121 CO -0.06 -1.67 1.10 0.00 -1.32 0.00 0.00 176.35 174.40 1t1r n ALA 122 N 9.52 4.09 -3.48 5.97 0.00 -0.73 -0.59 120.51 135.28 1t1r n ALA 122 Ca 0.14 -3.53 -0.23 0.00 0.00 0.00 0.00 53.44 49.82 1t1r n ALA 122 Cb 0.49 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 1t1r n ALA 122 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1t1r s ASN 123 N -3.54 2.50 0.28 0.00 3.04 -1.19 -4.39 114.94 111.65 1t1r s ASN 123 Ca 0.39 -0.93 0.02 0.00 0.04 0.00 0.00 52.86 52.38 1t1r s ASN 123 Cb 0.40 0.08 0.41 0.00 -1.54 0.00 0.00 41.25 40.59 1t1r s ASN 123 CO -0.04 -0.40 1.73 0.11 -3.04 0.00 0.00 177.10 175.46 1t1r h LYS 124 N 8.34 0.54 -0.88 0.43 1.57 -1.92 -3.20 116.57 121.45 1t1r h LYS 124 Ca -0.17 -0.19 0.23 0.00 -1.87 0.00 0.00 60.65 58.66 1t1r h LYS 124 Cb 1.06 -0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.19 1t1r h LYS 124 CO 0.37 0.71 0.28 1.49 -0.57 0.00 0.00 179.45 181.73 1t1r h GLU 125 N 0.49 0.24 -0.07 3.15 4.57 -1.94 -1.67 114.58 119.35 1t1r h GLU 125 Ca 0.08 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1t1r h GLU 125 Cb 0.61 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1t1r h GLU 125 CO 0.04 0.16 -0.39 0.77 -1.18 0.00 0.00 179.01 178.42 1t1r h SER 126 N 0.25 -1.22 0.83 1.04 0.02 -1.89 -0.29 113.55 112.29 1t1r h SER 126 Ca 0.55 0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 61.53 1t1r h SER 126 Cb 1.11 0.47 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 1t1r h SER 126 CO -0.62 -0.35 -0.56 -0.07 -1.14 0.00 0.00 176.83 174.08 1t1r h LEU 127 N -0.43 0.00 -0.34 5.07 4.07 -1.71 0.26 115.31 122.23 1t1r h LEU 127 Ca 0.02 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.82 1t1r h LEU 127 Cb 0.49 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1t1r h LEU 127 CO -0.30 0.56 -0.40 0.58 -1.08 0.00 0.00 178.44 177.80 1t1r h VAL 128 N 0.00 1.28 0.00 1.22 2.07 -1.12 -2.19 116.25 117.51 1t1r h VAL 128 Ca -0.01 -1.58 -0.26 0.00 0.82 0.00 0.00 66.70 65.68 1t1r h VAL 128 Cb 1.13 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1t1r h VAL 128 CO 0.07 0.52 -2.13 0.35 0.02 0.00 0.00 177.57 176.41 1t1r n THR 129 N -4.09 0.97 -1.59 2.57 -2.24 -0.13 -4.03 114.28 105.73 1t1r n THR 129 Ca -0.03 -0.68 0.06 0.00 -2.27 0.00 0.00 64.05 61.13 1t1r n THR 129 Cb 0.55 -0.43 0.15 0.00 -2.10 0.00 0.00 70.33 68.51 1t1r n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t1r n GLY 131 N -0.93 -1.60 0.07 0.00 0.00 -0.82 -0.58 105.19 101.33 1t1r n GLY 131 Ca 0.15 1.01 -0.13 0.00 0.00 0.00 0.00 46.02 47.05 1t1r n GLY 131 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t1r h ARG 132 N 0.00 -0.02 -0.33 1.61 2.43 -1.90 -2.17 114.38 113.99 1t1r h ARG 132 Ca 0.45 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.68 1t1r h ARG 132 Cb 0.69 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 1t1r h ARG 132 CO -0.97 0.62 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.03 1t1r h LEU 133 N -0.70 -0.15 -0.26 3.80 3.38 -1.76 -0.99 115.31 118.64 1t1r h LEU 133 Ca -0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1t1r h LEU 133 Cb 0.66 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1t1r h LEU 133 CO 0.00 -0.04 0.07 -0.26 0.09 0.00 0.00 178.44 178.30 1t1r h PHE 134 N 0.09 0.43 -0.22 1.13 0.05 -0.93 -0.45 116.94 117.04 1t1r h PHE 134 Ca 0.16 -0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.84 1t1r h PHE 134 Cb 0.22 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 1t1r h PHE 134 CO -0.24 0.49 -0.14 0.52 -0.18 0.00 0.00 178.31 178.76 1t1r h MET 135 N 0.25 0.36 -0.40 1.51 2.86 -1.20 0.16 114.93 118.47 1t1r h MET 135 Ca 0.08 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1t1r h MET 135 Cb 0.27 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1t1r h MET 135 CO 0.00 0.50 -0.26 -0.44 1.06 0.00 0.00 176.91 177.78 1t1r h ASP 136 N 0.34 0.92 -0.19 1.22 3.45 -1.02 -2.31 116.42 118.82 1t1r h ASP 136 Ca 0.06 -0.43 -0.01 0.00 0.43 0.00 0.00 57.03 57.09 1t1r h ASP 136 Cb 0.45 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1t1r h ASP 136 CO 0.03 1.15 0.09 0.00 -1.57 0.00 0.00 179.24 178.94 1t1r h ALA 137 N 0.80 0.25 -0.06 3.45 0.00 -0.19 -0.49 119.26 123.02 1t1r h ALA 137 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1t1r h ALA 137 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1t1r h ALA 137 CO 0.07 -0.19 -0.17 -0.39 0.00 0.00 0.00 179.25 178.57 1t1r h VAL 138 N 0.18 1.16 -0.37 0.00 -1.51 -0.69 -0.64 116.25 114.38 1t1r h VAL 138 Ca 0.07 -0.73 -0.15 0.00 -1.23 0.00 0.00 66.70 64.65 1t1r h VAL 138 Cb 0.12 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1t1r h VAL 138 CO -0.01 0.22 -0.38 0.50 -1.23 0.00 0.00 177.57 176.67 1t1r h LYS 139 N 0.09 0.88 0.09 5.19 3.64 -1.07 0.22 116.57 125.61 1t1r h LYS 139 Ca 0.02 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1t1r h LYS 139 Cb 0.36 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1t1r h LYS 139 CO 0.02 1.10 -0.04 1.96 -2.27 0.00 0.00 179.45 180.22 1t1r h GLN 140 N 0.72 -0.12 -0.00 1.90 4.20 -0.14 -3.25 115.11 118.42 1t1r h GLN 140 Ca 0.06 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1t1r h GLN 140 Cb 0.95 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1t1r h GLN 140 CO 0.09 0.19 -0.17 -1.13 -0.67 0.00 0.00 178.83 177.14 1t1r n SER 141 N -5.00 0.56 -2.25 1.46 3.41 -0.34 -4.93 113.62 106.53 1t1r n SER 141 Ca -0.08 -0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 57.81 1t1r n SER 141 Cb 0.20 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1t1r n SER 141 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t1r n LYS 142 N -0.98 -2.57 -2.48 4.33 4.01 0.71 -4.45 118.16 116.75 1t1r n LYS 142 Ca 0.13 0.82 -0.34 0.00 -0.51 0.00 0.00 58.31 58.40 1t1r n LYS 142 Cb 0.30 -5.34 -0.03 0.00 -0.51 0.00 0.00 35.03 29.46 1t1r n LYS 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1t1r s ALA 143 N -2.96 2.85 -0.34 7.82 0.00 -0.81 -4.87 121.76 123.45 1t1r s ALA 143 Ca 0.11 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1t1r s ALA 143 Cb -0.05 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1t1r s ALA 143 CO 0.13 -0.41 0.18 -1.14 0.00 0.00 0.00 175.76 174.52 1t1r s GLN 144 N -3.18 3.11 -0.12 0.00 2.00 -1.09 -4.82 119.66 115.56 1t1r s GLN 144 Ca 0.68 -0.88 -0.21 0.00 -2.00 0.00 0.00 55.36 52.95 1t1r s GLN 144 Cb -0.19 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 29.95 1t1r s GLN 144 CO 0.22 -0.54 0.61 -0.51 -0.50 0.00 0.00 175.29 174.57 1t1r s LEU 145 N 1.59 4.25 -0.29 3.68 1.43 -1.26 -0.08 118.68 128.00 1t1r s LEU 145 Ca 0.03 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1t1r s LEU 145 Cb -0.18 -2.90 0.08 0.00 0.03 0.00 0.00 46.19 43.22 1t1r s LEU 145 CO 0.06 -0.13 0.01 -0.76 0.23 0.00 0.00 176.35 175.76 1t1r s LEU 146 N 1.09 3.31 -0.03 1.79 2.01 0.26 -4.88 118.68 122.22 1t1r s LEU 146 Ca 0.31 -1.62 -0.30 0.00 0.01 0.00 0.00 54.13 52.54 1t1r s LEU 146 Cb -0.16 -1.30 -0.06 0.00 0.01 0.00 0.00 46.19 44.68 1t1r s LEU 146 CO 0.13 -0.32 1.62 -2.16 1.01 0.00 0.00 176.35 176.64 1t1r s PRO 147 N 1.25 4.19 0.00 1.29 0.04 -1.26 -1.27 135.00 139.24 1t1r s PRO 147 Ca 0.03 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.29 1t1r s PRO 147 Cb -0.19 -3.89 -0.24 0.00 0.04 0.00 0.00 34.50 30.22 1t1r s PRO 147 CO -0.11 -0.80 0.85 0.28 0.04 0.00 0.00 177.00 177.26 1t1r h VAL 148 N 5.41 1.13 -2.26 -0.36 2.07 -1.17 -3.30 116.25 117.77 1t1r h VAL 148 Ca -0.39 -2.87 -0.62 0.00 0.82 0.00 0.00 66.70 63.63 1t1r h VAL 148 Cb 1.18 2.64 0.08 0.00 -1.52 0.00 0.00 31.29 33.67 1t1r h VAL 148 CO 0.95 0.74 0.41 -0.67 0.02 0.00 0.00 177.57 179.02 1t1r n ASP 149 N -3.28 1.94 -0.23 0.57 -0.08 -1.24 -4.60 116.55 109.62 1t1r n ASP 149 Ca -0.14 1.14 -0.00 0.00 -1.51 0.00 0.00 54.79 54.28 1t1r n ASP 149 Cb 1.02 -1.31 0.07 0.00 2.34 0.00 0.00 41.12 43.24 1t1r n ASP 149 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1t1r h SER 150 N 3.70 -0.70 0.11 1.67 0.87 -1.96 0.23 113.55 117.47 1t1r h SER 150 Ca -0.44 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1t1r h SER 150 Cb 1.31 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1t1r h SER 150 CO 0.72 -0.24 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.40 1t1r h GLU 151 N -0.02 -0.14 -0.46 2.24 3.07 -1.90 -1.69 114.58 115.68 1t1r h GLU 151 Ca 0.32 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.13 1t1r h GLU 151 Cb 0.51 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1t1r h GLU 151 CO -0.71 0.18 0.04 0.45 -1.40 0.00 0.00 179.01 177.57 1t1r h HIS 152 N -0.47 0.78 -0.45 4.33 3.86 -1.83 -1.36 115.15 120.01 1t1r h HIS 152 Ca -0.01 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 1t1r h HIS 152 Cb 0.39 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1t1r h HIS 152 CO 0.03 0.71 0.03 -0.97 0.86 0.00 0.00 177.93 178.59 1t1r h ASN 153 N 0.70 0.75 -0.80 2.45 -0.73 -0.55 -0.68 115.58 116.72 1t1r h ASN 153 Ca 0.15 -0.29 0.01 0.00 1.87 0.00 0.00 56.30 58.04 1t1r h ASN 153 Cb 0.38 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 1t1r h ASN 153 CO 0.01 0.85 0.53 0.00 -0.37 0.00 0.00 177.43 178.45 1t1r h ALA 154 N 0.92 1.02 -0.11 1.57 0.00 -0.87 -0.09 119.26 121.70 1t1r h ALA 154 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1t1r h ALA 154 Cb 0.45 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1t1r h ALA 154 CO 0.02 0.42 0.03 0.82 0.00 0.00 0.00 179.25 180.54 1t1r h ILE 155 N 1.08 1.18 -0.38 0.00 2.04 -1.04 -2.06 117.51 118.33 1t1r h ILE 155 Ca 0.29 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1t1r h ILE 155 Cb -0.12 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1t1r h ILE 155 CO -0.07 0.16 -0.02 0.15 0.00 0.00 0.00 178.15 178.37 1t1r h PHE 156 N -0.01 -0.06 0.00 1.37 3.57 -0.74 0.47 116.94 121.53 1t1r h PHE 156 Ca 0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1t1r h PHE 156 Cb 0.23 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1t1r h PHE 156 CO -0.00 -0.10 -0.02 1.96 -2.23 0.00 0.00 178.31 177.92 1t1r h GLN 157 N 0.08 0.00 -0.54 1.11 4.20 -0.83 -1.83 115.11 117.30 1t1r h GLN 157 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1t1r h GLN 157 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1t1r h GLN 157 CO -0.33 0.02 0.00 0.43 -0.67 0.00 0.00 178.83 178.28 1t1r n SER 158 N -3.31 3.67 -4.91 1.46 7.64 0.07 -4.94 113.62 113.30 1t1r n SER 158 Ca -0.02 -1.99 -0.32 0.00 1.01 0.00 0.00 58.87 57.54 1t1r n SER 158 Cb 0.14 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1t1r n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t1r s LEU 159 N -1.24 4.36 0.62 -3.43 1.02 -0.67 -4.77 118.68 114.57 1t1r s LEU 159 Ca 0.43 0.31 -0.18 0.00 0.02 0.00 0.00 54.13 54.71 1t1r s LEU 159 Cb 0.24 -2.77 -0.02 0.00 0.02 0.00 0.00 46.19 43.66 1t1r s LEU 159 CO 0.32 0.22 1.22 -2.16 0.02 0.00 0.00 176.35 175.97 1t1r s PRO 160 N -2.20 2.79 0.31 1.29 0.04 -1.26 -4.77 135.00 131.20 1t1r s PRO 160 Ca 0.31 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.26 1t1r s PRO 160 Cb -0.13 -1.90 0.87 0.00 0.04 0.00 0.00 34.50 33.38 1t1r s PRO 160 CO 0.23 -1.35 1.65 0.37 0.04 0.00 0.00 177.00 177.94 1t1r h GLN 161 N 0.64 0.26 -0.15 4.56 -0.00 -1.98 -0.69 115.11 117.75 1t1r h GLN 161 Ca -0.50 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.13 1t1r h GLN 161 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.72 1t1r h GLN 161 CO 0.54 0.17 0.05 -1.35 0.00 0.00 0.00 178.83 178.24 1t1r h PRO 162 N 0.26 0.20 -0.04 -2.39 0.11 -1.99 -2.35 132.00 125.80 1t1r h PRO 162 Ca 0.63 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.63 1t1r h PRO 162 Cb 1.35 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.43 1t1r h PRO 162 CO -0.64 0.17 -0.33 0.82 -0.21 0.00 0.00 178.00 177.82 1t1r h ILE 163 N 0.20 1.46 -0.66 4.15 1.08 -1.48 -3.27 117.51 119.00 1t1r h ILE 163 Ca 0.05 -1.82 0.10 0.00 -0.39 0.00 0.00 64.86 62.80 1t1r h ILE 163 Cb 0.06 2.49 -0.07 0.00 -3.07 0.00 0.00 36.82 36.22 1t1r h ILE 163 CO -0.00 0.52 0.28 1.56 -0.69 0.00 0.00 178.15 179.81 1t1r h GLN 164 N -0.26 0.46 0.00 2.37 4.20 -1.25 -1.18 115.11 119.45 1t1r h GLN 164 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1t1r h GLN 164 Cb 1.01 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1t1r h GLN 164 CO 0.07 0.30 0.00 0.72 -0.67 0.00 0.00 178.83 179.25 1t1r n HIS 165 N -4.96 0.00 -2.73 2.96 8.25 -0.91 -3.65 115.22 114.19 1t1r n HIS 165 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1t1r n HIS 165 Cb 0.29 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.45 1t1r n HIS 165 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1t1r n ASN 166 N -0.98 0.88 -4.20 0.41 3.02 -0.53 -5.08 115.26 108.78 1t1r n ASN 166 Ca 0.20 -2.05 -0.47 0.00 -0.03 0.00 0.00 54.58 52.23 1t1r n ASN 166 Cb 0.09 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 1t1r n ASN 166 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1t1r n LEU 167 N -0.57 -0.99 0.00 3.41 4.77 -0.68 -1.01 117.00 121.94 1t1r n LEU 167 Ca 0.01 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1t1r n LEU 167 Cb 0.86 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1t1r n LEU 167 CO 0.01 -2.67 0.00 0.61 -1.33 0.00 0.00 177.39 174.01 1t1r n GLY 168 N 1.82 0.84 0.12 -0.72 0.00 0.16 -4.51 105.19 102.90 1t1r n GLY 168 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1t1r n GLY 168 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1t1r h TYR 169 N 0.00 0.39 -4.04 1.61 5.03 -1.57 -3.39 116.97 115.00 1t1r h TYR 169 Ca 0.00 -0.23 -0.49 0.00 2.58 0.00 0.00 58.73 60.58 1t1r h TYR 169 Cb 0.00 -0.04 0.17 0.00 1.55 0.00 0.00 36.73 38.42 1t1r h TYR 169 CO 0.00 1.09 0.21 0.00 -1.32 0.00 0.00 178.16 178.14 1t1r s ALA 170 N -3.06 1.28 -0.23 1.82 0.00 -0.18 -5.02 121.76 116.38 1t1r s ALA 170 Ca -0.03 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1t1r s ALA 170 Cb 0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1t1r s ALA 170 CO 0.85 -2.66 0.03 0.34 0.00 0.00 0.00 175.76 174.32 1t1r s ASP 171 N -2.99 4.89 0.05 0.00 -1.08 -1.26 -4.82 116.67 111.46 1t1r s ASP 171 Ca 0.65 -0.24 -0.23 0.00 -0.52 0.00 0.00 52.55 52.20 1t1r s ASP 171 Cb -0.21 -1.86 -0.16 0.00 -1.46 0.00 0.00 42.92 39.23 1t1r s ASP 171 CO 0.58 -0.01 1.56 -0.07 0.52 0.00 0.00 175.17 177.76 1t1r h LEU 172 N 8.04 0.05 -0.36 -1.34 3.38 -1.85 -3.07 115.31 120.16 1t1r h LEU 172 Ca -0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1t1r h LEU 172 Cb 1.17 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1t1r h LEU 172 CO 0.59 0.23 0.18 -0.08 0.09 0.00 0.00 178.44 179.46 1t1r h GLU 173 N -0.13 0.51 -0.02 1.13 4.81 -1.96 -1.30 114.58 117.62 1t1r h GLU 173 Ca 0.01 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1t1r h GLU 173 Cb 0.20 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1t1r h GLU 173 CO -0.00 0.44 0.03 1.96 -0.73 0.00 0.00 179.01 180.70 1t1r h GLN 174 N 0.45 0.00 -0.85 1.92 1.08 -1.91 -1.45 115.11 114.35 1t1r h GLN 174 Ca 0.12 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.03 1t1r h GLN 174 Cb 0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.34 1t1r h GLN 174 CO -0.02 0.00 0.37 0.09 -0.95 0.00 0.00 178.83 178.32 1t1r n ASN 175 N -3.93 4.36 -0.77 1.46 4.13 -0.89 -4.93 115.26 114.69 1t1r n ASN 175 Ca -0.02 -3.24 -0.10 0.00 1.68 0.00 0.00 54.58 52.89 1t1r n ASN 175 Cb 0.11 -0.76 -0.04 0.00 -1.54 0.00 0.00 39.78 37.55 1t1r n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t1r n GLY 176 N -0.40 1.11 3.60 7.41 0.00 -0.55 -4.92 105.19 111.45 1t1r n GLY 176 Ca 0.44 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1t1r n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t1r s VAL 177 N -2.21 5.27 -0.01 1.61 1.01 -0.54 -0.60 120.40 124.93 1t1r s VAL 177 Ca 0.00 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1t1r s VAL 177 Cb 0.00 -3.59 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 1t1r s VAL 177 CO 0.00 0.23 0.81 -0.37 0.00 0.00 0.00 175.10 175.77 1t1r h VAL 178 N 5.33 1.07 -1.56 2.92 -1.51 -1.55 -3.32 116.25 117.63 1t1r h VAL 178 Ca -0.34 -2.84 0.25 0.00 -1.23 0.00 0.00 66.70 62.53 1t1r h VAL 178 Cb 1.18 2.58 -0.18 0.00 -2.13 0.00 0.00 31.29 32.74 1t1r h VAL 178 CO 0.60 0.68 0.78 -0.94 -1.23 0.00 0.00 177.57 177.46 1t1r s SER 179 N -6.46 -0.15 -0.22 4.19 1.04 -1.17 -4.56 113.70 106.36 1t1r s SER 179 Ca -0.06 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.27 1t1r s SER 179 Cb 0.08 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1t1r s SER 179 CO 0.82 -0.28 0.11 -0.63 0.98 0.00 0.00 173.24 174.24 1t1r s ILE 180 N -2.49 4.89 -0.48 -1.02 -1.09 0.76 -1.00 121.20 120.76 1t1r s ILE 180 Ca 0.10 0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.41 1t1r s ILE 180 Cb -0.00 -3.26 0.11 0.00 -1.58 0.00 0.00 42.46 37.73 1t1r s ILE 180 CO -0.05 0.38 0.38 -0.76 -1.23 0.00 0.00 174.94 173.66 1t1r s LEU 181 N 1.01 5.74 -0.24 2.97 1.02 0.51 -0.70 118.68 128.99 1t1r s LEU 181 Ca 0.05 -1.72 -0.22 0.00 0.02 0.00 0.00 54.13 52.26 1t1r s LEU 181 Cb -0.14 -2.09 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 1t1r s LEU 181 CO 0.03 -0.71 0.69 -0.22 0.02 0.00 0.00 176.35 176.17 1t1r s LEU 182 N 1.48 4.09 0.10 1.79 2.96 0.68 -0.85 118.68 128.93 1t1r s LEU 182 Ca 0.04 0.84 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1t1r s LEU 182 Cb -0.27 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1t1r s LEU 182 CO 0.02 -0.39 0.08 0.42 -1.32 0.00 0.00 176.35 175.15 1t1r s THR 183 N 2.46 4.43 0.00 3.68 -4.23 -1.26 -0.78 115.64 119.94 1t1r s THR 183 Ca 0.30 -0.87 -0.16 0.00 -1.18 0.00 0.00 61.69 59.78 1t1r s THR 183 Cb -0.16 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1t1r s THR 183 CO 0.09 0.08 0.34 -0.83 -0.54 0.00 0.00 174.62 173.76 1t1r s GLY 184 N -2.51 -0.18 0.45 3.99 0.00 -0.59 -4.85 107.32 103.63 1t1r s GLY 184 Ca 0.29 0.31 0.15 0.00 0.00 0.00 0.00 44.72 45.46 1t1r s GLY 184 CO 0.22 0.08 2.00 1.48 0.00 0.00 0.00 173.10 176.88 1t1r h SER 185 N 3.57 0.00 0.00 1.64 4.64 -1.85 0.27 113.55 121.82 1t1r h SER 185 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1t1r h SER 185 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1t1r h SER 185 CO 0.42 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1t1r n GLY 186 N -1.03 0.66 1.46 -0.77 0.00 -1.26 -3.85 105.19 100.40 1t1r n GLY 186 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1t1r n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t1r n GLY 187 N -2.00 -2.07 0.24 -0.02 0.00 -1.24 -3.38 105.19 96.73 1t1r n GLY 187 Ca 0.00 -1.38 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1t1r n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t1r h PRO 188 N 0.00 0.00 -0.64 1.61 0.13 -1.86 -3.09 132.00 128.15 1t1r h PRO 188 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1t1r h PRO 188 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1t1r h PRO 188 CO 0.00 0.14 0.00 1.19 -0.23 0.00 0.00 178.00 179.10 1t1r n PHE 189 N -3.29 1.40 -0.35 1.56 0.99 -1.26 -4.56 117.46 111.95 1t1r n PHE 189 Ca 0.00 -0.55 0.14 0.00 -0.00 0.00 0.00 57.45 57.05 1t1r n PHE 189 Cb 0.38 -0.25 0.34 0.00 -1.00 0.00 0.00 39.48 38.95 1t1r n PHE 189 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1t1r h ARG 190 N 3.68 0.66 0.00 -1.08 2.43 -1.55 -2.70 114.38 115.83 1t1r h ARG 190 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1t1r h ARG 190 Cb 1.38 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1t1r h ARG 190 CO 0.23 0.44 -1.99 -1.91 -1.51 0.00 0.00 179.97 175.24 1t1r n GLU 191 N -4.82 0.65 -1.49 0.20 4.07 -1.26 -5.02 120.64 112.96 1t1r n GLU 191 Ca 0.24 -0.19 -0.46 0.00 -0.06 0.00 0.00 57.16 56.70 1t1r n GLU 191 Cb 0.62 -1.51 -0.02 0.00 -0.06 0.00 0.00 31.44 30.48 1t1r n GLU 191 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1t1r n THR 192 N -2.26 1.96 -1.97 6.31 -1.04 -1.02 -4.89 114.28 111.37 1t1r n THR 192 Ca -0.05 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.05 1t1r n THR 192 Cb 0.58 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.54 1t1r n THR 192 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1t1r s PRO 193 N -1.32 4.24 0.29 -2.82 0.02 -1.26 -4.89 135.00 129.25 1t1r s PRO 193 Ca 0.61 2.35 0.03 0.00 0.02 0.00 0.00 61.00 64.01 1t1r s PRO 193 Cb -0.78 -3.09 0.70 0.00 0.02 0.00 0.00 34.50 31.35 1t1r s PRO 193 CO 0.58 -0.45 1.70 -0.07 -0.33 0.00 0.00 177.00 178.43 1t1r h LEU 194 N 4.87 0.31 -2.23 -5.54 4.07 -1.96 -0.44 115.31 114.40 1t1r h LEU 194 Ca -0.46 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1t1r h LEU 194 Cb 1.22 0.13 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 1t1r h LEU 194 CO 0.77 0.00 -0.04 0.08 -1.08 0.00 0.00 178.44 178.17 1t1r h ARG 195 N 0.40 0.00 0.00 1.13 0.11 -2.02 -2.83 114.38 111.16 1t1r h ARG 195 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1t1r h ARG 195 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1t1r h ARG 195 CO -0.52 0.04 -0.20 -0.44 0.10 0.00 0.00 179.97 178.95 1t1r h ASP 196 N 0.00 0.00 -0.98 0.08 3.45 -1.44 -3.36 116.42 114.17 1t1r h ASP 196 Ca -0.00 -0.00 0.21 0.00 0.43 0.00 0.00 57.03 57.66 1t1r h ASP 196 Cb 0.10 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.77 1t1r h ASP 196 CO 0.01 0.00 0.62 -0.07 -1.57 0.00 0.00 179.24 178.23 1t1r h LEU 197 N 0.00 0.59 -2.27 1.55 3.38 -1.50 0.17 115.31 117.23 1t1r h LEU 197 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1t1r h LEU 197 Cb 0.98 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1t1r h LEU 197 CO 0.00 0.20 -0.02 0.00 0.09 0.00 0.00 178.44 178.71 1t1r h ALA 198 N 1.63 1.07 -0.01 1.53 0.00 -1.79 -2.82 119.26 118.86 1t1r h ALA 198 Ca 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1t1r h ALA 198 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t1r h ALA 198 CO -0.29 0.03 -0.53 0.25 0.00 0.00 0.00 179.25 178.71 1t1r n THR 199 N -3.21 0.00 -1.69 0.00 -2.24 0.03 -4.31 114.28 102.86 1t1r n THR 199 Ca -0.02 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 1t1r n THR 199 Cb 0.18 1.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 1t1r n THR 199 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1t1r n MET 200 N -0.33 1.72 -3.66 -0.78 2.00 -1.07 -5.01 117.12 109.99 1t1r n MET 200 Ca 0.07 0.62 -0.20 0.00 0.00 0.00 0.00 57.70 58.20 1t1r n MET 200 Cb 0.40 -2.37 -0.02 0.00 0.00 0.00 0.00 33.22 31.24 1t1r n MET 200 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1t1r s THR 201 N -1.26 4.20 0.20 2.03 -4.23 -1.26 -4.46 115.64 110.86 1t1r s THR 201 Ca 0.65 -1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 59.95 1t1r s THR 201 Cb -0.48 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.05 1t1r s THR 201 CO 0.55 -0.20 1.70 -0.65 -0.54 0.00 0.00 174.62 175.48 1t1r h PRO 202 N 1.05 0.21 -1.00 3.99 0.11 -1.92 0.66 132.00 135.10 1t1r h PRO 202 Ca -0.47 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1t1r h PRO 202 Cb 1.25 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1t1r h PRO 202 CO 0.56 0.14 0.65 -0.44 -0.21 0.00 0.00 178.00 178.70 1t1r h ASP 203 N 0.22 1.06 0.12 -2.05 3.45 -1.96 0.21 116.42 117.47 1t1r h ASP 203 Ca 0.28 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.57 1t1r h ASP 203 Cb 0.40 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1t1r h ASP 203 CO -0.38 0.70 -0.62 1.56 -1.57 0.00 0.00 179.24 178.93 1t1r h GLN 204 N 1.21 0.49 0.00 3.56 4.20 -1.57 -2.95 115.11 120.05 1t1r h GLN 204 Ca 0.42 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1t1r h GLN 204 Cb 0.10 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1t1r h GLN 204 CO -0.15 0.96 -0.45 0.00 -0.67 0.00 0.00 178.83 178.52 1t1r h ALA 205 N 0.96 1.10 -0.12 3.87 0.00 0.07 -3.15 119.26 121.99 1t1r h ALA 205 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1t1r h ALA 205 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t1r h ALA 205 CO 0.11 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1t1r s ARG 207 N -1.85 4.02 0.07 0.00 0.52 -1.19 -4.91 118.95 115.60 1t1r s ARG 207 Ca 0.28 -2.33 -0.31 0.00 -0.52 0.00 0.00 55.73 52.84 1t1r s ARG 207 Cb 0.14 -5.19 -0.11 0.00 0.52 0.00 0.00 34.95 30.31 1t1r s ARG 207 CO 0.22 -1.92 1.87 1.58 0.02 0.00 0.00 175.30 177.08 1t1r n HIS 208 N 6.55 2.53 -0.28 -0.53 -0.00 -1.26 -4.45 115.22 117.77 1t1r n HIS 208 Ca 0.39 -0.17 0.04 0.00 -0.00 0.00 0.00 57.72 57.98 1t1r n HIS 208 Cb 0.44 -2.73 0.11 0.00 -0.00 0.00 0.00 29.99 27.81 1t1r n HIS 208 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1t1r n PRO 209 N 6.23 -0.08 -0.08 1.57 -0.02 -1.26 -3.91 135.00 137.45 1t1r n PRO 209 Ca 0.19 1.23 -0.16 0.00 -2.02 0.00 0.00 63.50 62.74 1t1r n PRO 209 Cb 0.37 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1t1r n PRO 209 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t1r n ASN 210 N -5.28 1.44 -4.31 2.55 3.02 -1.26 -5.08 115.26 106.35 1t1r n ASN 210 Ca 0.12 0.15 -0.16 0.00 -0.03 0.00 0.00 54.58 54.66 1t1r n ASN 210 Cb 0.39 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1t1r n ASN 210 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1t1r s TRP 211 N -2.30 1.47 0.39 3.10 -2.14 -1.25 -5.15 118.94 113.06 1t1r s TRP 211 Ca -0.22 -1.00 -0.12 0.00 2.66 0.00 0.00 56.10 57.42 1t1r s TRP 211 Cb 0.08 -0.85 -0.07 0.00 -3.10 0.00 0.00 33.47 29.53 1t1r s TRP 211 CO 0.30 -0.14 0.77 -1.12 -2.66 0.00 0.00 176.95 174.10 1t1r s SER 212 N -3.27 6.59 0.18 -2.66 0.01 -1.26 -4.49 113.70 108.79 1t1r s SER 212 Ca 0.29 1.19 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 1t1r s SER 212 Cb 0.06 -2.34 0.07 0.00 0.21 0.00 0.00 66.02 64.02 1t1r s SER 212 CO 0.08 -0.36 1.02 0.00 0.41 0.00 0.00 173.24 174.40 1t1r s MET 213 N -3.64 1.28 0.88 12.44 0.23 -1.26 -5.09 119.30 124.14 1t1r s MET 213 Ca 0.52 -0.79 -0.15 0.00 -1.03 0.00 0.00 55.69 54.24 1t1r s MET 213 Cb -0.10 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 33.52 1t1r s MET 213 CO 0.28 -0.59 -0.00 0.41 -2.03 0.00 0.00 175.02 173.08 1t1r n GLY 214 N -0.63 -2.86 0.17 3.16 0.00 -1.26 -4.69 105.19 99.07 1t1r n GLY 214 Ca -0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1t1r n GLY 214 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t1r h ARG 215 N -1.01 0.50 -0.79 1.61 3.08 -1.98 0.05 114.38 115.84 1t1r h ARG 215 Ca -0.44 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.27 1t1r h ARG 215 Cb 1.31 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 1t1r h ARG 215 CO 0.33 0.90 0.35 -0.22 -1.07 0.00 0.00 179.97 180.26 1t1r h LYS 216 N 0.15 1.16 -0.13 0.04 3.11 -1.97 -0.82 116.57 118.12 1t1r h LYS 216 Ca 0.02 -0.19 -0.19 0.00 -2.81 0.00 0.00 60.65 57.48 1t1r h LYS 216 Cb 0.85 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1t1r h LYS 216 CO 0.06 0.92 -0.68 0.82 -2.81 0.00 0.00 179.45 177.76 1t1r h ILE 217 N 1.13 1.34 -0.41 2.00 1.08 -1.91 -1.28 117.51 119.45 1t1r h ILE 217 Ca 0.27 -2.00 -0.01 0.00 -0.39 0.00 0.00 64.86 62.73 1t1r h ILE 217 Cb 0.17 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1t1r h ILE 217 CO -0.03 0.61 0.22 0.28 -0.69 0.00 0.00 178.15 178.55 1t1r h SER 218 N 0.38 0.52 -0.57 1.72 0.02 -0.66 -0.60 113.55 114.37 1t1r h SER 218 Ca -0.02 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1t1r h SER 218 Cb 1.26 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1t1r h SER 218 CO 0.13 0.47 0.34 0.58 -1.14 0.00 0.00 176.83 177.21 1t1r h VAL 219 N 0.54 1.17 -0.27 2.27 2.07 -1.08 -0.55 116.25 120.40 1t1r h VAL 219 Ca 0.15 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1t1r h VAL 219 Cb 0.07 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1t1r h VAL 219 CO -0.02 0.18 0.18 0.44 0.02 0.00 0.00 177.57 178.37 1t1r h ASP 220 N 0.77 0.17 0.33 0.57 3.32 -0.64 0.85 116.42 121.79 1t1r h ASP 220 Ca 0.21 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 1t1r h ASP 220 Cb -0.01 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1t1r h ASP 220 CO -0.04 0.11 -0.79 -1.28 -1.72 0.00 0.00 179.24 175.53 1t1r h SER 221 N 0.19 0.44 0.12 6.45 0.87 -0.02 0.16 113.55 121.77 1t1r h SER 221 Ca 0.12 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.25 1t1r h SER 221 Cb 0.22 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1t1r h SER 221 CO -0.02 1.07 -0.40 0.00 -0.53 0.00 0.00 176.83 176.95 1t1r h ALA 222 N 0.92 1.01 0.00 6.23 0.00 0.61 -2.84 119.26 125.19 1t1r h ALA 222 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t1r h ALA 222 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1t1r h ALA 222 CO 0.13 0.61 -0.94 0.25 0.00 0.00 0.00 179.25 179.30 1t1r n THR 223 N -4.03 0.26 -1.02 0.00 -2.24 -0.28 -4.77 114.28 102.20 1t1r n THR 223 Ca -0.01 -0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 1t1r n THR 223 Cb 0.49 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1t1r n THR 223 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1t1r n MET 224 N -2.09 -0.52 0.26 -0.78 0.00 0.39 -4.27 117.12 110.12 1t1r n MET 224 Ca 0.02 0.20 0.12 0.00 -0.00 0.00 0.00 57.70 58.04 1t1r n MET 224 Cb 0.45 -3.65 0.73 0.00 0.00 0.00 0.00 33.22 30.76 1t1r n MET 224 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1t1r h MET 225 N 0.64 0.00 0.12 2.12 -1.53 -1.38 -1.63 114.93 113.27 1t1r h MET 225 Ca -0.01 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.27 1t1r h MET 225 Cb 0.28 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.29 1t1r h MET 225 CO 0.02 0.11 -0.38 -0.97 0.14 0.00 0.00 176.91 175.83 1t1r h ASN 226 N 0.00 -1.11 0.39 1.39 -0.00 -1.53 0.11 115.58 114.83 1t1r h ASN 226 Ca -0.00 0.13 -0.13 0.00 -0.00 0.00 0.00 56.30 56.30 1t1r h ASN 226 Cb 0.27 0.42 -0.01 0.00 -0.00 0.00 0.00 38.32 39.00 1t1r h ASN 226 CO 0.01 -0.46 -0.55 0.11 -0.00 0.00 0.00 177.43 176.54 1t1r h LYS 227 N -0.61 0.17 -0.51 6.67 6.56 -1.63 -2.57 116.57 124.65 1t1r h LYS 227 Ca 0.03 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1t1r h LYS 227 Cb 0.64 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 1t1r h LYS 227 CO -0.22 0.68 0.30 0.78 -2.06 0.00 0.00 179.45 178.93 1t1r h GLY 228 N 1.48 0.74 1.13 3.86 0.00 -0.76 0.48 103.07 110.00 1t1r h GLY 228 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1t1r h GLY 228 CO 0.08 0.30 -0.10 1.41 0.00 0.00 0.00 176.54 178.23 1t1r h LEU 229 N 0.68 1.02 -1.14 3.11 3.38 -0.70 -2.26 115.31 119.40 1t1r h LEU 229 Ca 0.18 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1t1r h LEU 229 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1t1r h LEU 229 CO -0.03 1.12 -0.28 -0.33 0.09 0.00 0.00 178.44 179.01 1t1r h GLU 230 N 0.91 0.25 -0.28 1.13 5.08 -1.04 -1.38 114.58 119.25 1t1r h GLU 230 Ca 0.14 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1t1r h GLU 230 Cb 0.66 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1t1r h GLU 230 CO 0.05 0.52 0.14 -0.92 -1.00 0.00 0.00 179.01 177.80 1t1r h TYR 231 N 0.22 0.40 -0.19 4.33 3.20 0.24 0.10 116.97 125.28 1t1r h TYR 231 Ca 0.03 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1t1r h TYR 231 Cb 0.62 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1t1r h TYR 231 CO 0.01 0.36 0.11 0.82 -1.64 0.00 0.00 178.16 177.83 1t1r h ILE 232 N 0.33 1.02 -0.21 1.81 2.04 -0.92 -2.20 117.51 119.39 1t1r h ILE 232 Ca 0.10 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1t1r h ILE 232 Cb 0.11 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1t1r h ILE 232 CO -0.01 0.04 0.12 -0.33 0.00 0.00 0.00 178.15 177.97 1t1r h GLU 233 N 0.24 0.28 -0.74 2.37 5.08 -1.02 -2.92 114.58 117.86 1t1r h GLU 233 Ca 0.07 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1t1r h GLU 233 Cb -0.01 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1t1r h GLU 233 CO -0.03 0.23 0.42 0.00 -1.00 0.00 0.00 179.01 178.63 1t1r h ALA 234 N 1.03 1.02 -0.68 3.43 0.00 -0.62 0.40 119.26 123.85 1t1r h ALA 234 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1t1r h ALA 234 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1t1r h ALA 234 CO -0.01 0.09 0.42 0.00 0.00 0.00 0.00 179.25 179.75 1t1r h ARG 235 N 0.76 0.92 0.05 0.00 3.08 -1.26 0.24 114.38 118.18 1t1r h ARG 235 Ca 0.34 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 1t1r h ARG 235 Cb 0.24 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1t1r h ARG 235 CO -0.20 0.65 -0.02 -1.49 -1.07 0.00 0.00 179.97 177.83 1t1r h TRP 236 N 0.93 -0.06 -0.81 3.04 -0.00 -1.17 0.32 115.95 118.20 1t1r h TRP 236 Ca 0.25 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.15 1t1r h TRP 236 Cb -0.05 0.02 -0.04 0.00 -0.00 0.00 0.00 29.16 29.09 1t1r h TRP 236 CO -0.02 0.35 0.53 1.25 -0.00 0.00 0.00 178.44 180.55 1t1r h LEU 237 N -0.50 0.91 -2.82 -4.49 5.85 -0.05 -3.09 115.31 111.12 1t1r h LEU 237 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1t1r h LEU 237 Cb 0.44 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1t1r h LEU 237 CO 0.01 0.65 0.00 0.49 -0.34 0.00 0.00 178.44 179.26 1t1r n PHE 238 N -4.54 0.52 -3.72 1.25 3.01 0.06 -0.67 117.46 113.38 1t1r n PHE 238 Ca 0.09 -0.49 -0.22 0.00 1.01 0.00 0.00 57.45 57.84 1t1r n PHE 238 Cb 0.03 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1t1r n PHE 238 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1t1r n ASN 239 N 0.68 -1.77 -4.86 4.37 5.15 -0.08 -4.72 115.26 114.03 1t1r n ASN 239 Ca 0.13 -0.80 -0.37 0.00 -0.60 0.00 0.00 54.58 52.94 1t1r n ASN 239 Cb 0.45 -4.09 -0.06 0.00 -0.53 0.00 0.00 39.78 35.55 1t1r n ASN 239 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t1r s ALA 240 N -3.60 3.82 0.79 5.20 0.00 -0.16 -4.76 121.76 123.05 1t1r s ALA 240 Ca 0.10 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1t1r s ALA 240 Cb -0.05 -2.09 0.13 0.00 0.00 0.00 0.00 23.12 21.11 1t1r s ALA 240 CO 0.81 0.56 1.11 -1.54 0.00 0.00 0.00 175.76 176.70 1t1r s SER 241 N -0.97 4.07 0.17 0.00 1.04 -1.26 -4.62 113.70 112.13 1t1r s SER 241 Ca 0.17 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 1t1r s SER 241 Cb -0.13 -0.41 0.10 0.00 0.10 0.00 0.00 66.02 65.68 1t1r s SER 241 CO 0.06 -2.07 1.74 0.00 0.98 0.00 0.00 173.24 173.95 1t1r h ALA 242 N -0.91 0.46 0.00 5.32 0.00 -1.99 -1.10 119.26 121.04 1t1r h ALA 242 Ca -0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1t1r h ALA 242 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1t1r h ALA 242 CO 0.45 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1t1r n SER 243 N -5.05 0.23 -1.48 0.00 3.41 -1.26 -2.01 113.62 107.46 1t1r n SER 243 Ca 0.03 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.28 1t1r n SER 243 Cb 0.17 -0.61 0.33 0.00 -0.26 0.00 0.00 64.21 63.84 1t1r n SER 243 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t1r n GLN 244 N -1.76 3.43 -4.92 4.33 6.02 -0.42 -4.86 117.38 119.20 1t1r n GLN 244 Ca 0.03 -2.64 -0.27 0.00 -0.01 0.00 0.00 57.00 54.12 1t1r n GLN 244 Cb 0.20 -1.82 -0.16 0.00 1.02 0.00 0.00 30.24 29.48 1t1r n GLN 244 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1t1r s MET 245 N -1.74 1.79 -0.01 -1.09 -1.94 -0.85 -0.17 119.30 115.29 1t1r s MET 245 Ca 0.47 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 1t1r s MET 245 Cb 0.30 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.54 1t1r s MET 245 CO 0.24 0.32 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.31 1t1r s GLU 246 N -0.15 0.46 -0.20 2.03 2.02 0.12 -4.92 118.70 118.06 1t1r s GLU 246 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.84 1t1r s GLU 246 Cb -0.10 -0.46 0.03 0.00 0.10 0.00 0.00 34.13 33.69 1t1r s GLU 246 CO 0.01 0.07 -0.16 0.14 0.02 0.00 0.00 175.26 175.35 1t1r s VAL 247 N 0.07 2.00 0.05 2.63 -7.23 -1.26 -0.23 120.40 116.43 1t1r s VAL 247 Ca -0.00 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.16 1t1r s VAL 247 Cb -0.04 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1t1r s VAL 247 CO -0.00 0.36 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.18 1t1r s LEU 248 N 1.27 2.53 -0.18 1.32 1.43 0.04 -4.33 118.68 120.75 1t1r s LEU 248 Ca 0.01 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1t1r s LEU 248 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1t1r s LEU 248 CO -0.10 0.25 0.43 -0.63 0.23 0.00 0.00 176.35 176.53 1t1r s ILE 249 N -0.93 5.18 -0.34 -0.59 1.01 -0.06 -1.54 121.20 123.93 1t1r s ILE 249 Ca 0.14 0.80 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 1t1r s ILE 249 Cb -0.10 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.71 1t1r s ILE 249 CO 0.05 0.26 0.15 -2.28 0.00 0.00 0.00 174.94 173.12 1t1r s HIS 250 N 1.19 1.40 0.27 3.97 5.65 0.97 -1.51 115.29 127.23 1t1r s HIS 250 Ca 0.21 -1.71 0.00 0.00 0.25 0.00 0.00 55.06 53.81 1t1r s HIS 250 Cb -0.15 -1.51 0.55 0.00 -1.18 0.00 0.00 32.58 30.30 1t1r s HIS 250 CO 0.08 -0.85 1.79 -1.35 -0.65 0.00 0.00 174.74 173.76 1t1r h PRO 251 N 7.73 0.72 0.00 2.88 0.11 -1.70 -2.81 132.00 138.93 1t1r h PRO 251 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1t1r h PRO 251 Cb 0.99 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1t1r h PRO 251 CO 0.44 0.48 0.00 1.04 -0.21 0.00 0.00 178.00 179.75 1t1r n GLN 252 N -4.79 0.16 -2.66 1.05 3.00 -1.26 -4.76 117.38 108.13 1t1r n GLN 252 Ca 0.18 0.22 -0.17 0.00 -0.01 0.00 0.00 57.00 57.22 1t1r n GLN 252 Cb 0.42 -1.72 -0.00 0.00 0.00 0.00 0.00 30.24 28.94 1t1r n GLN 252 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1t1r n SER 253 N -2.00 -4.47 0.05 1.08 7.64 -1.06 -4.84 113.62 110.02 1t1r n SER 253 Ca 0.05 0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.71 1t1r n SER 253 Cb 0.33 -3.74 -0.15 0.00 -1.01 0.00 0.00 64.21 59.65 1t1r n SER 253 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1t1r h VAL 254 N -0.32 0.95 -3.40 0.44 2.07 -1.87 -3.43 116.25 110.69 1t1r h VAL 254 Ca -0.38 -2.47 -0.55 0.00 0.82 0.00 0.00 66.70 64.12 1t1r h VAL 254 Cb 1.27 2.75 -0.04 0.00 -1.52 0.00 0.00 31.29 33.75 1t1r h VAL 254 CO 0.44 0.82 0.16 -0.63 0.02 0.00 0.00 177.57 178.39 1t1r s ILE 255 N -2.55 4.87 -0.43 4.57 1.01 -1.26 -2.65 121.20 124.77 1t1r s ILE 255 Ca -0.17 1.62 0.23 0.00 0.00 0.00 0.00 60.65 62.33 1t1r s ILE 255 Cb 0.05 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.28 1t1r s ILE 255 CO 0.83 0.29 0.94 1.41 0.00 0.00 0.00 174.94 178.41 1t1r n HIS 256 N 3.35 0.39 0.00 3.97 8.25 -0.18 -4.94 115.22 126.05 1t1r n HIS 256 Ca -0.01 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1t1r n HIS 256 Cb 0.51 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1t1r n HIS 256 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1t1r n SER 257 N -2.18 0.00 -3.19 0.41 7.64 -1.26 -4.21 113.62 110.83 1t1r n SER 257 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1t1r n SER 257 Cb 0.48 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1t1r n SER 257 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1t1r s MET 258 N -2.01 1.99 -0.09 1.43 1.00 -0.03 -3.13 119.30 118.47 1t1r s MET 258 Ca 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 55.69 54.01 1t1r s MET 258 Cb 0.00 0.50 0.04 0.00 0.00 0.00 0.00 34.83 35.37 1t1r s MET 258 CO 0.00 -0.86 0.21 0.14 0.00 0.00 0.00 175.02 174.51 1t1r s VAL 259 N -2.88 -0.03 -0.00 -6.03 -7.23 -0.80 -0.36 120.40 103.06 1t1r s VAL 259 Ca 0.25 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 1t1r s VAL 259 Cb -0.02 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 1t1r s VAL 259 CO 0.17 0.04 0.24 0.00 -0.31 0.00 0.00 175.10 175.25 1t1r s ARG 260 N 0.87 3.54 0.33 4.82 1.70 -0.17 -1.75 118.95 128.30 1t1r s ARG 260 Ca -0.06 -0.13 0.08 0.00 -0.47 0.00 0.00 55.73 55.15 1t1r s ARG 260 Cb -0.08 -3.08 -0.04 0.00 -0.57 0.00 0.00 34.95 31.18 1t1r s ARG 260 CO -0.05 0.66 0.19 0.71 -1.08 0.00 0.00 175.30 175.73 1t1r s TYR 261 N -1.30 2.79 0.60 5.89 2.02 0.84 -1.54 117.35 126.66 1t1r s TYR 261 Ca 0.27 -0.34 0.31 0.00 -0.37 0.00 0.00 57.07 56.94 1t1r s TYR 261 Cb -0.13 -1.67 1.89 0.00 -0.40 0.00 0.00 41.96 41.65 1t1r s TYR 261 CO 0.16 0.30 2.27 0.37 -1.57 0.00 0.00 175.55 177.08 1t1r h GLN 262 N 1.45 0.00 -0.27 -0.62 4.15 -1.15 -2.25 115.11 116.42 1t1r h GLN 262 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1t1r h GLN 262 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1t1r h GLN 262 CO 0.61 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.11 1t1r n ASP 263 N -3.76 2.30 0.00 -0.69 5.68 -1.26 -4.91 116.55 113.90 1t1r n ASP 263 Ca -0.03 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1t1r n ASP 263 Cb 0.08 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1t1r n ASP 263 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t1r n GLY 264 N 1.25 3.18 3.75 6.12 0.00 -0.85 -5.07 105.19 113.58 1t1r n GLY 264 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1t1r n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t1r s SER 265 N -1.22 5.33 -0.09 1.61 0.01 -1.26 -4.76 113.70 113.32 1t1r s SER 265 Ca 0.00 2.59 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 1t1r s SER 265 Cb 0.00 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.64 1t1r s SER 265 CO 0.00 -1.51 -0.02 -0.69 0.41 0.00 0.00 173.24 171.43 1t1r s VAL 266 N -1.42 0.55 -0.15 3.43 1.01 -1.26 -0.11 120.40 122.46 1t1r s VAL 266 Ca 0.73 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 1t1r s VAL 266 Cb -0.36 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1t1r s VAL 266 CO 0.41 0.26 0.15 -0.76 0.00 0.00 0.00 175.10 175.15 1t1r s LEU 267 N 1.90 4.33 0.09 3.92 1.02 -0.72 -4.96 118.68 124.26 1t1r s LEU 267 Ca 0.05 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.62 1t1r s LEU 267 Cb -0.13 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 1t1r s LEU 267 CO -0.06 0.32 -0.07 0.00 0.02 0.00 0.00 176.35 176.56 1t1r s ALA 268 N -0.53 0.97 -0.14 4.21 0.00 -1.26 -1.91 121.76 123.10 1t1r s ALA 268 Ca 0.13 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.83 1t1r s ALA 268 Cb -0.12 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1t1r s ALA 268 CO 0.02 -0.18 -0.19 -1.14 0.00 0.00 0.00 175.76 174.27 1t1r s GLN 269 N -3.47 3.15 0.26 0.00 -0.44 -1.18 -4.95 119.66 113.02 1t1r s GLN 269 Ca 0.09 -0.80 0.09 0.00 -2.50 0.00 0.00 55.36 52.25 1t1r s GLN 269 Cb 0.03 -2.51 -0.05 0.00 -1.64 0.00 0.00 33.01 28.83 1t1r s GLN 269 CO -0.03 0.06 -0.15 -0.51 0.50 0.00 0.00 175.29 175.16 1t1r s LEU 270 N 0.67 2.58 0.00 3.68 1.02 -1.26 -1.01 118.68 124.35 1t1r s LEU 270 Ca -0.09 -1.06 0.00 0.00 0.02 0.00 0.00 54.13 53.00 1t1r s LEU 270 Cb -0.16 -0.87 0.00 0.00 0.02 0.00 0.00 46.19 45.18 1t1r s LEU 270 CO 0.02 -0.11 0.00 0.61 0.02 0.00 0.00 176.35 176.89 1t1r n GLY 271 N -0.54 -1.95 3.83 -3.19 0.00 -1.08 -4.98 105.19 97.27 1t1r n GLY 271 Ca -0.06 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1t1r n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t1r s GLU 272 N -1.76 3.35 -1.18 1.61 0.41 -1.26 -4.79 118.70 115.08 1t1r s GLU 272 Ca 0.00 1.01 -0.08 0.00 -0.41 0.00 0.00 54.97 55.49 1t1r s GLU 272 Cb 0.00 -2.04 -0.09 0.00 -1.78 0.00 0.00 34.13 30.21 1t1r s GLU 272 CO 0.00 -0.77 3.02 -0.35 -0.49 0.00 0.00 175.26 176.67 1t1r n PRO 273 N -2.42 3.41 -4.49 0.39 -0.04 -1.26 -4.83 135.00 125.75 1t1r n PRO 273 Ca 0.08 -2.13 -0.30 0.00 -0.04 0.00 0.00 63.50 61.10 1t1r n PRO 273 Cb 0.53 -2.57 -0.17 0.00 -0.04 0.00 0.00 33.50 31.26 1t1r n PRO 273 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t1r s ASP 274 N 1.79 2.72 0.44 3.54 3.68 -1.26 -5.02 116.67 122.56 1t1r s ASP 274 Ca 0.67 -0.50 0.30 0.00 2.13 0.00 0.00 52.55 55.15 1t1r s ASP 274 Cb 0.22 -1.24 1.41 0.00 -1.45 0.00 0.00 42.92 41.86 1t1r s ASP 274 CO -0.06 0.03 1.91 0.24 0.13 0.00 0.00 175.17 177.43 1t1r h MET 275 N 7.44 0.00 0.00 4.34 2.86 -1.99 -2.84 114.93 124.74 1t1r h MET 275 Ca -0.32 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1t1r h MET 275 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1t1r h MET 275 CO 0.52 0.00 -0.11 0.00 1.06 0.00 0.00 176.91 178.38 1t1r h ARG 276 N 0.00 0.00 0.70 1.72 3.08 -1.93 -2.04 114.38 115.91 1t1r h ARG 276 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1t1r h ARG 276 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.34 1t1r h ARG 276 CO 0.00 0.11 -0.34 1.15 -1.07 0.00 0.00 179.97 179.83 1t1r h THR 277 N 0.00 0.16 -0.11 2.04 2.02 -1.86 0.11 112.91 115.28 1t1r h THR 277 Ca -0.00 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1t1r h THR 277 Cb 0.27 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1t1r h THR 277 CO 0.01 0.02 -0.07 1.55 0.37 0.00 0.00 175.52 177.41 1t1r h PRO 278 N -1.14 0.16 -0.12 6.66 0.13 -1.73 -0.51 132.00 135.45 1t1r h PRO 278 Ca -0.10 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1t1r h PRO 278 Cb 0.75 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1t1r h PRO 278 CO 0.16 0.24 -0.06 0.82 -0.23 0.00 0.00 178.00 178.93 1t1r h ILE 279 N 0.15 1.32 -0.90 -3.56 2.04 -1.31 -2.31 117.51 112.95 1t1r h ILE 279 Ca 0.04 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.82 1t1r h ILE 279 Cb 0.22 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1t1r h ILE 279 CO 0.01 0.31 0.59 0.00 0.00 0.00 0.00 178.15 179.06 1t1r h ALA 280 N 0.65 1.36 -0.04 1.87 0.00 -0.44 -1.44 119.26 121.23 1t1r h ALA 280 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1t1r h ALA 280 Cb 0.51 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1t1r h ALA 280 CO 0.02 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.12 1t1r h HIS 281 N 1.21 0.02 -0.21 0.00 -0.00 -0.97 -1.66 115.15 113.53 1t1r h HIS 281 Ca 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.58 1t1r h HIS 281 Cb -0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1t1r h HIS 281 CO -0.00 0.01 -0.38 1.79 -0.00 0.00 0.00 177.93 179.36 1t1r h THR 282 N 0.03 1.30 -0.62 6.26 1.35 -1.09 -0.05 112.91 120.09 1t1r h THR 282 Ca 0.02 -1.51 -0.09 0.00 -0.55 0.00 0.00 66.41 64.28 1t1r h THR 282 Cb 0.01 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1t1r h THR 282 CO -0.02 0.47 0.05 0.24 -0.25 0.00 0.00 175.52 176.01 1t1r h MET 283 N 0.40 1.06 0.00 4.72 2.86 -1.10 -3.22 114.93 119.65 1t1r h MET 283 Ca 0.04 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1t1r h MET 283 Cb 0.84 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1t1r h MET 283 CO 0.07 1.01 -1.01 0.00 1.06 0.00 0.00 176.91 178.04 1t1r n ALA 284 N -2.48 3.19 -1.46 6.32 0.00 -0.64 -4.98 120.51 120.46 1t1r n ALA 284 Ca 0.04 -0.37 -0.47 0.00 0.00 0.00 0.00 53.44 52.64 1t1r n ALA 284 Cb 0.32 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1t1r n ALA 284 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1t1r n TRP 285 N -2.09 0.12 1.92 0.00 -0.00 -0.04 0.09 117.44 117.44 1t1r n TRP 285 Ca 0.02 0.89 0.04 0.00 -0.00 0.00 0.00 57.50 58.45 1t1r n TRP 285 Cb 0.46 -2.06 0.26 0.00 -0.00 0.00 0.00 31.31 29.97 1t1r n TRP 285 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1t1r n PRO 286 N 0.97 0.96 -1.70 5.87 -0.04 -1.26 -5.04 135.00 134.76 1t1r n PRO 286 Ca 0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 1t1r n PRO 286 Cb 0.26 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1t1r n PRO 286 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1t1r n ASN 287 N -0.64 0.82 -4.29 3.54 3.02 0.11 -5.14 115.26 112.68 1t1r n ASN 287 Ca 0.07 -1.45 -0.23 0.00 -0.03 0.00 0.00 54.58 52.94 1t1r n ASN 287 Cb 0.03 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 38.99 1t1r n ASN 287 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1t1r s ARG 288 N -2.70 1.14 0.10 3.52 1.81 -1.26 -4.54 118.95 117.03 1t1r s ARG 288 Ca 0.15 -1.20 -0.01 0.00 -1.72 0.00 0.00 55.73 52.94 1t1r s ARG 288 Cb -0.01 -1.36 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 1t1r s ARG 288 CO 0.09 0.31 0.04 0.54 -0.68 0.00 0.00 175.30 175.60 1t1r s VAL 289 N -1.34 0.14 0.23 3.52 0.11 -1.26 -5.01 120.40 116.80 1t1r s VAL 289 Ca 0.08 -1.84 -0.30 0.00 -2.93 0.00 0.00 61.98 56.99 1t1r s VAL 289 Cb -0.09 -1.84 -0.09 0.00 -1.53 0.00 0.00 36.38 32.83 1t1r s VAL 289 CO 0.05 -0.65 1.17 0.21 -3.33 0.00 0.00 175.10 172.55 1t1r s ASN 290 N -3.00 7.12 -0.01 3.54 3.84 -1.26 -4.91 114.94 120.25 1t1r s ASN 290 Ca 0.18 2.29 0.08 0.00 0.21 0.00 0.00 52.86 55.61 1t1r s ASN 290 Cb 0.07 -2.62 -0.12 0.00 -0.55 0.00 0.00 41.25 38.04 1t1r s ASN 290 CO -0.03 -0.31 0.17 -1.54 -2.79 0.00 0.00 177.10 172.60 1t1r n SER 291 N 1.89 3.22 0.00 -4.21 3.41 -1.26 -4.81 113.62 111.86 1t1r n SER 291 Ca 0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1t1r n SER 291 Cb 0.44 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1t1r n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t1r n GLY 292 N 2.06 0.75 3.74 5.00 0.00 -1.26 -4.73 105.19 110.74 1t1r n GLY 292 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1t1r n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t1r s VAL 293 N -2.68 4.57 0.27 1.61 1.01 -1.26 -5.01 120.40 118.91 1t1r s VAL 293 Ca 0.00 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 1t1r s VAL 293 Cb 0.00 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1t1r s VAL 293 CO 0.00 0.35 1.54 -0.54 0.00 0.00 0.00 175.10 176.45 1t1r s LYS 294 N -0.10 4.18 0.39 2.72 -0.14 -1.26 -4.94 119.74 120.59 1t1r s LYS 294 Ca 0.43 2.46 -0.27 0.00 -1.36 0.00 0.00 55.97 57.24 1t1r s LYS 294 Cb -0.22 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 1t1r s LYS 294 CO 0.27 -0.56 1.31 -1.25 -0.76 0.00 0.00 175.35 174.37 1t1r s PRO 295 N -0.30 4.05 0.31 -1.68 0.04 -1.26 -4.72 135.00 131.44 1t1r s PRO 295 Ca 0.63 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 1t1r s PRO 295 Cb -0.45 -2.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1t1r s PRO 295 CO 0.45 -0.44 1.11 -0.48 0.04 0.00 0.00 177.00 177.68 1t1r s LEU 296 N -2.29 4.45 -0.48 -3.56 0.05 -1.26 -4.98 118.68 110.61 1t1r s LEU 296 Ca 0.55 2.27 -0.17 0.00 0.05 0.00 0.00 54.13 56.82 1t1r s LEU 296 Cb -0.39 -3.75 0.06 0.00 -2.05 0.00 0.00 46.19 40.06 1t1r s LEU 296 CO 0.50 -0.26 0.51 -0.62 -0.55 0.00 0.00 176.35 175.93 1t1r s ASP 297 N -0.98 6.19 0.01 1.48 3.68 -1.26 -4.93 116.67 120.86 1t1r s ASP 297 Ca 0.48 -1.01 0.08 0.00 2.13 0.00 0.00 52.55 54.23 1t1r s ASP 297 Cb -0.31 -2.24 0.35 0.00 -1.45 0.00 0.00 42.92 39.27 1t1r s ASP 297 CO 0.40 -0.74 1.26 0.49 0.13 0.00 0.00 175.17 176.70 1t1r n PHE 298 N 5.71 0.03 1.05 -5.34 3.01 -1.26 -1.52 117.46 119.14 1t1r n PHE 298 Ca -0.09 0.01 0.12 0.00 1.01 0.00 0.00 57.45 58.50 1t1r n PHE 298 Cb 0.45 -0.52 0.19 0.00 -0.01 0.00 0.00 39.48 39.59 1t1r n PHE 298 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t1r n LYS 300 N -1.25 1.87 -3.78 0.00 5.02 -0.57 -5.02 118.16 114.42 1t1r n LYS 300 Ca 0.07 -3.14 -0.21 0.00 -2.02 0.00 0.00 58.31 53.01 1t1r n LYS 300 Cb 0.34 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1t1r n LYS 300 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1t1r s LEU 301 N -3.18 3.75 0.21 -0.35 1.02 -1.25 -5.02 118.68 113.86 1t1r s LEU 301 Ca 0.42 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.22 1t1r s LEU 301 Cb 0.38 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 1t1r s LEU 301 CO -0.00 -0.32 0.38 -0.94 0.02 0.00 0.00 176.35 175.48 1t1r s SER 302 N -4.02 6.35 0.11 2.29 1.04 -1.26 -5.01 113.70 113.20 1t1r s SER 302 Ca 0.41 0.28 -0.35 0.00 0.48 0.00 0.00 55.95 56.76 1t1r s SER 302 Cb -0.07 -1.96 -0.17 0.00 0.10 0.00 0.00 66.02 63.93 1t1r s SER 302 CO 0.28 -0.05 1.24 0.00 0.98 0.00 0.00 173.24 175.68 1t1r n ALA 303 N -0.91 -1.15 -2.66 5.32 0.00 -1.26 -4.91 120.51 114.94 1t1r n ALA 303 Ca -0.06 0.50 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 1t1r n ALA 303 Cb 0.55 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.93 1t1r n ALA 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t1r s LEU 304 N 0.55 4.35 0.22 0.00 1.43 -1.26 -4.88 118.68 119.09 1t1r s LEU 304 Ca 0.81 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1t1r s LEU 304 Cb -0.94 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 1t1r s LEU 304 CO 0.50 -0.12 0.01 0.42 0.23 0.00 0.00 176.35 177.39 1t1r s THR 305 N 0.67 0.87 0.05 5.49 -4.23 -1.26 -5.11 115.64 112.12 1t1r s THR 305 Ca 0.40 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1t1r s THR 305 Cb -0.19 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1t1r s THR 305 CO 0.21 -0.34 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.56 1t1r s PHE 306 N -3.53 0.47 -0.14 3.99 0.08 -1.26 -4.06 117.98 113.53 1t1r s PHE 306 Ca 0.28 -0.97 -0.30 0.00 0.12 0.00 0.00 56.93 56.06 1t1r s PHE 306 Cb 0.06 -0.35 0.11 0.00 -0.57 0.00 0.00 43.02 42.27 1t1r s PHE 306 CO 0.08 -0.35 0.90 0.00 -0.10 0.00 0.00 175.22 175.74 1t1r s ALA 307 N -3.50 -1.88 0.21 5.36 0.00 -0.57 -4.98 121.76 116.40 1t1r s ALA 307 Ca 0.03 1.54 -0.28 0.00 0.00 0.00 0.00 51.96 53.25 1t1r s ALA 307 Cb 0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1t1r s ALA 307 CO -0.08 -0.32 0.88 0.00 0.00 0.00 0.00 175.76 176.24 1t1r s ALA 308 N -1.00 3.38 0.16 0.00 0.00 -1.26 -0.88 121.76 122.15 1t1r s ALA 308 Ca -0.04 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1t1r s ALA 308 Cb -0.01 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1t1r s ALA 308 CO 0.04 0.24 1.19 -1.25 0.00 0.00 0.00 175.76 175.97 1t1r s PRO 309 N -1.17 4.49 -0.25 0.00 0.04 -1.26 -4.90 135.00 131.95 1t1r s PRO 309 Ca 0.39 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.06 1t1r s PRO 309 Cb -0.25 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1t1r s PRO 309 CO 0.30 -0.11 0.65 0.34 0.04 0.00 0.00 177.00 178.22 1t1r s ASP 310 N 0.32 6.61 0.43 6.66 2.15 -1.26 -4.94 116.67 126.63 1t1r s ASP 310 Ca 0.54 0.75 0.30 0.00 0.43 0.00 0.00 52.55 54.56 1t1r s ASP 310 Cb -0.32 -2.35 1.38 0.00 -0.30 0.00 0.00 42.92 41.33 1t1r s ASP 310 CO 0.35 -0.38 1.90 1.88 -0.17 0.00 0.00 175.17 178.75 1t1r h TYR 311 N 7.84 0.00 -0.20 -5.34 0.99 -1.95 -0.52 116.97 117.80 1t1r h TYR 311 Ca -0.27 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.30 1t1r h TYR 311 Cb 1.12 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.85 1t1r h TYR 311 CO 0.75 0.00 -0.56 -0.44 -0.00 0.00 0.00 178.16 177.92 1t1r h ASP 312 N 0.00 0.68 0.39 3.88 3.45 -1.99 -2.27 116.42 120.58 1t1r h ASP 312 Ca 0.00 -0.37 -0.27 0.00 0.43 0.00 0.00 57.03 56.82 1t1r h ASP 312 Cb 0.28 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1t1r h ASP 312 CO 0.00 1.10 -1.19 -0.09 -1.57 0.00 0.00 179.24 177.49 1t1r h ARG 313 N 0.47 0.42 -2.18 3.56 2.43 -1.73 -3.39 114.38 113.97 1t1r h ARG 313 Ca 0.01 -0.60 -0.58 0.00 -0.81 0.00 0.00 59.98 58.00 1t1r h ARG 313 Cb 1.11 0.20 -0.41 0.00 -0.42 0.00 0.00 29.97 30.45 1t1r h ARG 313 CO 0.11 1.25 -0.71 0.66 -1.51 0.00 0.00 179.97 179.76 1t1r n TYR 314 N -3.67 2.99 0.17 2.20 4.02 -0.29 -4.92 117.16 117.65 1t1r n TYR 314 Ca -0.10 -4.01 0.14 0.00 -0.01 0.00 0.00 57.90 53.92 1t1r n TYR 314 Cb 0.97 -0.50 0.72 0.00 -0.02 0.00 0.00 39.34 40.51 1t1r n TYR 314 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1t1r h PRO 315 N 3.76 0.00 -0.46 -0.72 0.13 -1.62 -1.78 132.00 131.31 1t1r h PRO 315 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1t1r h PRO 315 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1t1r h PRO 315 CO 0.76 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.77 1t1r h LEU 317 N 0.64 -0.21 -0.88 0.00 6.46 -1.50 -1.02 115.31 118.80 1t1r h LEU 317 Ca 0.16 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1t1r h LEU 317 Cb 0.04 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 1t1r h LEU 317 CO -0.03 -0.13 0.48 0.50 -0.62 0.00 0.00 178.44 178.65 1t1r h LYS 318 N -0.26 1.23 -0.66 1.25 3.64 -1.55 -2.13 116.57 118.08 1t1r h LYS 318 Ca -0.03 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1t1r h LYS 318 Cb 0.20 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1t1r h LYS 318 CO 0.04 0.90 0.41 1.25 -2.27 0.00 0.00 179.45 179.78 1t1r h LEU 319 N 1.23 0.67 -0.11 5.20 5.85 -0.73 -0.20 115.31 127.22 1t1r h LEU 319 Ca 0.31 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1t1r h LEU 319 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1t1r h LEU 319 CO -0.05 0.47 0.06 0.00 -0.34 0.00 0.00 178.44 178.58 1t1r h ALA 320 N 1.29 0.14 -0.97 1.25 0.00 -0.81 0.37 119.26 120.52 1t1r h ALA 320 Ca 0.27 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1t1r h ALA 320 Cb 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1t1r h ALA 320 CO -0.11 -0.34 0.63 0.52 0.00 0.00 0.00 179.25 179.95 1t1r h MET 321 N 0.10 1.02 -0.23 0.00 2.86 -0.79 -2.12 114.93 115.77 1t1r h MET 321 Ca 0.04 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1t1r h MET 321 Cb 0.05 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1t1r h MET 321 CO -0.01 0.68 -0.58 0.93 1.06 0.00 0.00 176.91 178.99 1t1r h GLU 322 N 1.05 0.80 -0.86 1.72 5.08 -0.58 -3.15 114.58 118.64 1t1r h GLU 322 Ca 0.44 -0.55 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1t1r h GLU 322 Cb 0.31 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1t1r h GLU 322 CO -0.20 1.18 0.56 0.00 -1.00 0.00 0.00 179.01 179.55 1t1r h ALA 323 N 0.62 1.61 -0.58 3.43 0.00 -0.31 -2.02 119.26 122.01 1t1r h ALA 323 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1t1r h ALA 323 Cb 1.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1t1r h ALA 323 CO 0.13 0.23 0.33 0.35 0.00 0.00 0.00 179.25 180.29 1t1r h PHE 324 N 0.90 0.61 0.00 0.00 3.57 -1.37 -0.05 116.94 120.61 1t1r h PHE 324 Ca 0.39 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1t1r h PHE 324 Cb 0.32 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1t1r h PHE 324 CO -0.00 0.33 -0.03 0.93 -2.23 0.00 0.00 178.31 177.31 1t1r h GLU 325 N 0.64 0.00 -0.01 1.11 4.39 -1.43 -1.86 114.58 117.42 1t1r h GLU 325 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1t1r h GLU 325 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1t1r h GLU 325 CO -0.13 0.03 -0.15 1.04 -1.16 0.00 0.00 179.01 178.63 1t1r n GLN 326 N -3.60 1.02 0.00 2.33 1.13 -0.06 -5.06 117.38 113.15 1t1r n GLN 326 Ca -0.03 -0.54 0.00 0.00 -1.94 0.00 0.00 57.00 54.50 1t1r n GLN 326 Cb 0.12 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1t1r n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t1r n GLY 327 N 1.27 0.38 0.26 1.08 0.00 -0.70 -4.40 105.19 103.08 1t1r n GLY 327 Ca 0.15 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.22 1t1r n GLY 327 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t1r h GLN 328 N 0.00 0.02 -0.45 1.61 4.20 -1.86 -1.83 115.11 116.79 1t1r h GLN 328 Ca 0.00 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1t1r h GLN 328 Cb 0.00 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1t1r h GLN 328 CO 0.00 0.02 -0.14 0.00 -0.67 0.00 0.00 178.83 178.04 1t1r h ALA 329 N 1.98 0.90 -0.14 3.87 0.00 -1.88 0.17 119.26 124.17 1t1r h ALA 329 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1t1r h ALA 329 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1t1r h ALA 329 CO 0.00 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.64 1t1r h ALA 330 N 1.08 0.21 -0.50 0.00 0.00 -1.56 -0.82 119.26 117.66 1t1r h ALA 330 Ca 0.12 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1t1r h ALA 330 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1t1r h ALA 330 CO 0.05 0.18 -0.07 1.79 0.00 0.00 0.00 179.25 181.20 1t1r h THR 331 N 0.00 1.27 -0.64 0.00 1.35 -1.34 -0.18 112.91 113.37 1t1r h THR 331 Ca 0.01 -1.19 -0.06 0.00 -0.55 0.00 0.00 66.41 64.61 1t1r h THR 331 Cb 0.82 1.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 1t1r h THR 331 CO 0.05 0.42 0.16 0.74 -0.25 0.00 0.00 175.52 176.64 1t1r h THR 332 N 0.80 1.25 -0.43 6.82 2.02 -0.68 -1.32 112.91 121.37 1t1r h THR 332 Ca 0.13 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1t1r h THR 332 Cb 0.62 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1t1r h THR 332 CO 0.04 0.35 0.05 0.00 0.37 0.00 0.00 175.52 176.33 1t1r h ALA 333 N 1.06 0.58 -0.21 6.16 0.00 -0.96 -1.40 119.26 124.48 1t1r h ALA 333 Ca 0.20 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1t1r h ALA 333 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1t1r h ALA 333 CO 0.00 0.32 0.12 1.25 0.00 0.00 0.00 179.25 180.94 1t1r h LEU 334 N 0.58 0.19 -0.53 0.00 6.46 -0.79 0.35 115.31 121.57 1t1r h LEU 334 Ca 0.13 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1t1r h LEU 334 Cb 0.41 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 1t1r h LEU 334 CO 0.01 0.14 0.30 -1.13 -0.62 0.00 0.00 178.44 177.14 1t1r h ASN 335 N 0.25 0.46 0.32 1.25 -1.24 -1.13 -0.55 115.58 114.94 1t1r h ASN 335 Ca 0.08 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 1t1r h ASN 335 Cb -0.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1t1r h ASN 335 CO -0.04 0.32 -0.15 0.00 -1.29 0.00 0.00 177.43 176.27 1t1r h ALA 336 N 1.25 -0.43 -0.51 1.57 0.00 -0.93 -2.75 119.26 117.47 1t1r h ALA 336 Ca 0.22 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1t1r h ALA 336 Cb 0.07 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1t1r h ALA 336 CO -0.12 -0.66 0.16 0.00 0.00 0.00 0.00 179.25 178.63 1t1r h ALA 337 N 0.04 0.61 -0.41 0.00 0.00 -0.80 -1.97 119.26 116.74 1t1r h ALA 337 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1t1r h ALA 337 Cb 0.43 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1t1r h ALA 337 CO 0.07 -0.24 0.28 -0.97 0.00 0.00 0.00 179.25 178.39 1t1r h ASN 338 N 0.32 0.19 -0.10 0.00 -1.24 -1.04 -0.04 115.58 113.68 1t1r h ASN 338 Ca 0.25 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.09 1t1r h ASN 338 Cb 0.29 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 1t1r h ASN 338 CO -0.27 0.12 -0.54 -0.33 -1.29 0.00 0.00 177.43 175.12 1t1r h GLU 339 N 0.21 0.69 -0.10 6.67 5.08 -1.05 -1.23 114.58 124.85 1t1r h GLU 339 Ca 0.19 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1t1r h GLU 339 Cb 0.47 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1t1r h GLU 339 CO -0.03 1.05 -0.29 0.82 -1.00 0.00 0.00 179.01 179.56 1t1r h ILE 340 N 0.53 1.39 -0.37 3.13 5.03 -1.18 -2.45 117.51 123.60 1t1r h ILE 340 Ca 0.01 -1.61 -0.13 0.00 -0.12 0.00 0.00 64.86 63.01 1t1r h ILE 340 Cb 1.11 2.17 -0.01 0.00 -3.03 0.00 0.00 36.82 37.05 1t1r h ILE 340 CO 0.11 0.47 -0.28 0.71 -0.68 0.00 0.00 178.15 178.48 1t1r h THR 341 N -0.07 1.28 0.09 -0.27 1.35 -1.06 0.47 112.91 114.70 1t1r h THR 341 Ca -0.01 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1t1r h THR 341 Cb 0.90 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1t1r h THR 341 CO 0.06 0.47 -0.04 0.58 -0.25 0.00 0.00 175.52 176.33 1t1r h VAL 342 N 0.66 1.08 -0.87 6.82 2.07 -1.30 -0.12 116.25 124.59 1t1r h VAL 342 Ca 0.08 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.04 1t1r h VAL 342 Cb 0.80 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1t1r h VAL 342 CO 0.07 0.16 0.52 0.00 0.02 0.00 0.00 177.57 178.33 1t1r h ALA 343 N 0.44 1.23 -0.43 1.67 0.00 -1.38 0.23 119.26 121.03 1t1r h ALA 343 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1t1r h ALA 343 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1t1r h ALA 343 CO 0.02 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.50 1t1r h ALA 344 N 1.45 1.30 -0.02 0.00 0.00 -0.67 -1.36 119.26 119.96 1t1r h ALA 344 Ca 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1t1r h ALA 344 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1t1r h ALA 344 CO -0.23 0.49 -0.00 0.35 0.00 0.00 0.00 179.25 179.85 1t1r h PHE 345 N 0.64 0.04 -0.58 0.00 -0.00 1.00 0.19 116.94 118.23 1t1r h PHE 345 Ca 0.14 -0.01 0.14 0.00 -0.00 0.00 0.00 57.97 58.24 1t1r h PHE 345 Cb 0.32 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 36.23 1t1r h PHE 345 CO 0.01 0.37 0.41 -0.07 -0.00 0.00 0.00 178.31 179.03 1t1r h LEU 346 N -0.29 0.14 -0.73 0.59 3.38 -0.28 0.43 115.31 118.55 1t1r h LEU 346 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1t1r h LEU 346 Cb 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1t1r h LEU 346 CO 0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1t1r n ALA 347 N -2.60 2.55 -3.47 1.53 0.00 -0.55 -4.90 120.51 113.08 1t1r n ALA 347 Ca 0.11 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1t1r n ALA 347 Cb 0.55 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.91 1t1r n ALA 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1t1r n GLN 348 N -0.05 -7.08 -0.01 0.00 6.02 0.15 -4.91 117.38 111.50 1t1r n GLN 348 Ca 0.15 0.74 0.02 0.00 -0.01 0.00 0.00 57.00 57.90 1t1r n GLN 348 Cb 0.24 -5.51 -0.13 0.00 1.02 0.00 0.00 30.24 25.86 1t1r n GLN 348 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1t1r n GLN 349 N -4.50 0.65 -4.12 -1.09 6.02 0.64 -4.99 117.38 109.99 1t1r n GLN 349 Ca 0.01 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1t1r n GLN 349 Cb 0.55 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 30.10 1t1r n GLN 349 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1t1r s ILE 350 N -3.07 0.05 0.57 5.09 -4.36 -1.24 -4.76 121.20 113.48 1t1r s ILE 350 Ca -0.06 -1.81 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 1t1r s ILE 350 Cb 0.10 -2.19 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 1t1r s ILE 350 CO 0.85 -0.22 0.99 -0.13 0.24 0.00 0.00 174.94 176.67 1t1r s ARG 351 N -4.07 3.72 0.28 0.37 0.52 -1.26 -4.60 118.95 113.90 1t1r s ARG 351 Ca 0.28 0.77 0.01 0.00 -0.52 0.00 0.00 55.73 56.27 1t1r s ARG 351 Cb 0.06 -2.13 0.55 0.00 0.52 0.00 0.00 34.95 33.95 1t1r s ARG 351 CO 0.06 -0.43 1.81 0.35 0.02 0.00 0.00 175.30 177.11 1t1r h PHE 352 N 0.19 1.03 0.00 -0.53 3.04 -1.78 0.26 116.94 119.15 1t1r h PHE 352 Ca -0.45 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1t1r h PHE 352 Cb 1.19 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1t1r h PHE 352 CO 0.65 0.36 0.00 0.25 -2.02 0.00 0.00 178.31 177.55 1t1r n THR 353 N -4.70 0.60 0.23 4.41 -2.24 -1.26 -2.64 114.28 108.68 1t1r n THR 353 Ca 0.18 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 1t1r n THR 353 Cb 0.39 -0.81 0.42 0.00 -2.10 0.00 0.00 70.33 68.22 1t1r n THR 353 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1t1r h ASP 354 N 0.00 0.00 0.59 3.42 3.45 -0.83 -3.15 116.42 119.90 1t1r h ASP 354 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1t1r h ASP 354 Cb 0.45 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1t1r h ASP 354 CO 0.00 0.14 -0.38 0.40 -1.57 0.00 0.00 179.24 177.83 1t1r h ILE 355 N 0.00 0.22 -0.60 0.35 2.04 -1.50 0.13 117.51 118.15 1t1r h ILE 355 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1t1r h ILE 355 Cb 0.80 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1t1r h ILE 355 CO 0.02 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.36 1t1r h ALA 356 N -0.63 0.78 -0.38 1.87 0.00 -1.77 -1.06 119.26 118.08 1t1r h ALA 356 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1t1r h ALA 356 Cb 0.76 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1t1r h ALA 356 CO 0.06 0.45 0.22 0.00 0.00 0.00 0.00 179.25 179.97 1t1r h ALA 357 N 1.06 0.48 -0.01 0.00 0.00 -1.48 -0.93 119.26 118.38 1t1r h ALA 357 Ca 0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1t1r h ALA 357 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1t1r h ALA 357 CO -0.01 -0.13 -0.80 -0.07 0.00 0.00 0.00 179.25 178.25 1t1r h LEU 358 N 0.44 0.18 -0.48 0.00 4.07 -0.68 -1.99 115.31 116.85 1t1r h LEU 358 Ca 0.15 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1t1r h LEU 358 Cb 0.02 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1t1r h LEU 358 CO -0.08 0.90 0.20 0.78 -1.08 0.00 0.00 178.44 179.16 1t1r h ASN 359 N 0.09 0.66 -0.05 -0.43 2.35 -0.87 -0.33 115.58 116.99 1t1r h ASN 359 Ca -0.03 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1t1r h ASN 359 Cb 1.39 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 1t1r h ASN 359 CO 0.12 0.64 0.03 0.25 -1.65 0.00 0.00 177.43 176.81 1t1r h LEU 360 N 0.64 0.07 -0.39 1.61 5.85 -1.17 -2.65 115.31 119.27 1t1r h LEU 360 Ca 0.16 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1t1r h LEU 360 Cb 0.18 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1t1r h LEU 360 CO -0.01 0.15 0.13 -1.28 -0.34 0.00 0.00 178.44 177.08 1t1r h SER 361 N -0.02 0.13 0.44 1.25 0.87 -0.96 -1.22 113.55 114.04 1t1r h SER 361 Ca 0.02 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1t1r h SER 361 Cb 0.10 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1t1r h SER 361 CO -0.00 0.11 -0.20 -0.37 -0.53 0.00 0.00 176.83 175.83 1t1r h VAL 362 N 0.28 0.78 -0.59 2.23 -1.51 -1.05 -2.20 116.25 114.19 1t1r h VAL 362 Ca 0.18 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 64.74 1t1r h VAL 362 Cb 0.17 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1t1r h VAL 362 CO -0.19 0.20 0.03 0.25 -1.23 0.00 0.00 177.57 176.62 1t1r h LEU 363 N 0.00 0.97 -0.89 4.19 5.85 -0.87 -2.06 115.31 122.50 1t1r h LEU 363 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1t1r h LEU 363 Cb 0.48 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1t1r h LEU 363 CO 0.03 1.01 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.74 1t1r h GLU 364 N 0.92 0.00 0.00 1.25 5.08 -0.76 -2.99 114.58 118.08 1t1r h GLU 364 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1t1r h GLU 364 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1t1r h GLU 364 CO 0.02 0.07 -0.82 1.63 -1.00 0.00 0.00 179.01 178.91 1t1r n LYS 365 N -3.16 0.22 -2.43 2.33 5.02 -1.02 -4.92 118.16 114.22 1t1r n LYS 365 Ca 0.02 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1t1r n LYS 365 Cb 0.42 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1t1r n LYS 365 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1t1r s MET 366 N -3.14 4.52 0.00 1.97 -1.94 -0.81 -4.99 119.30 114.91 1t1r s MET 366 Ca 0.06 1.81 0.00 0.00 -1.71 0.00 0.00 55.69 55.85 1t1r s MET 366 Cb 0.15 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.73 1t1r s MET 366 CO 0.76 -0.04 0.00 -3.47 -0.01 0.00 0.00 175.02 172.26 1t1r n ASP 367 N 2.54 0.00 0.00 3.03 2.03 -1.26 -5.03 116.55 117.86 1t1r n ASP 367 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1t1r n ASP 367 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1t1r n ASP 367 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1t1r n MET 368 N -0.08 0.00 -4.02 -0.67 2.81 -1.26 -4.96 117.12 108.95 1t1r n MET 368 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1t1r n MET 368 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.37 1t1r n MET 368 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1t1r s ARG 369 N 0.00 0.26 -0.13 0.03 1.81 -1.26 -4.82 118.95 114.84 1t1r s ARG 369 Ca 0.00 -0.21 -0.00 0.00 -1.72 0.00 0.00 55.73 53.79 1t1r s ARG 369 Cb 0.00 -0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.32 1t1r s ARG 369 CO 0.00 0.05 0.01 -1.91 -0.68 0.00 0.00 175.30 172.76 1t1r n GLU 370 N 2.72 -1.79 -1.94 3.54 4.07 -1.26 -4.96 120.64 121.02 1t1r n GLU 370 Ca -0.15 1.71 -0.33 0.00 -0.06 0.00 0.00 57.16 58.34 1t1r n GLU 370 Cb 0.58 -2.92 0.03 0.00 -0.06 0.00 0.00 31.44 29.07 1t1r n GLU 370 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1t1r s PRO 371 N -1.21 3.06 -0.01 5.31 0.04 -1.26 -4.99 135.00 135.93 1t1r s PRO 371 Ca -0.01 1.37 0.21 0.00 0.04 0.00 0.00 61.00 62.61 1t1r s PRO 371 Cb 0.00 -1.99 -0.28 0.00 0.04 0.00 0.00 34.50 32.28 1t1r s PRO 371 CO 0.35 -1.04 0.71 1.04 0.04 0.00 0.00 177.00 178.10 1t1r n GLN 372 N -2.10 0.30 -3.72 4.56 3.00 -1.26 -4.98 117.38 113.18 1t1r n GLN 372 Ca 0.10 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 56.91 1t1r n GLN 372 Cb 0.52 -1.51 0.02 0.00 0.00 0.00 0.00 30.24 29.28 1t1r n GLN 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1t1r h VAL 374 N 1.97 1.25 -0.06 0.00 2.07 -2.00 -2.13 116.25 117.34 1t1r h VAL 374 Ca -0.32 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1t1r h VAL 374 Cb 1.20 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1t1r h VAL 374 CO 0.41 0.24 -0.10 0.44 0.02 0.00 0.00 177.57 178.58 1t1r h ASP 375 N 1.27 0.08 -0.21 0.57 3.45 -1.99 -0.67 116.42 118.92 1t1r h ASP 375 Ca 0.34 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.68 1t1r h ASP 375 Cb -0.12 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1t1r h ASP 375 CO -0.07 0.20 -0.28 0.44 -1.57 0.00 0.00 179.24 177.96 1t1r h ASP 376 N 0.09 0.62 -0.51 6.45 3.45 -1.80 -2.03 116.42 122.69 1t1r h ASP 376 Ca 0.02 -0.50 -0.07 0.00 0.43 0.00 0.00 57.03 56.91 1t1r h ASP 376 Cb 0.24 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 1t1r h ASP 376 CO 0.01 1.00 0.05 -0.37 -1.57 0.00 0.00 179.24 178.37 1t1r h VAL 377 N 0.25 1.26 -0.91 -1.35 -1.51 -1.10 -1.39 116.25 111.50 1t1r h VAL 377 Ca 0.03 -1.00 0.14 0.00 -1.23 0.00 0.00 66.70 64.64 1t1r h VAL 377 Cb 0.85 0.90 -0.07 0.00 -2.13 0.00 0.00 31.29 30.84 1t1r h VAL 377 CO 0.07 0.35 0.58 -0.07 -1.23 0.00 0.00 177.57 177.27 1t1r h LEU 378 N 0.74 0.70 -0.43 4.19 4.07 -1.08 0.39 115.31 123.90 1t1r h LEU 378 Ca 0.15 0.04 -0.16 0.00 0.08 0.00 0.00 57.88 58.00 1t1r h LEU 378 Cb 0.44 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1t1r h LEU 378 CO 0.02 0.36 -0.37 -1.28 -1.08 0.00 0.00 178.44 176.09 1t1r h SER 379 N 0.75 0.98 -0.42 -0.43 0.87 -0.67 -0.73 113.55 113.89 1t1r h SER 379 Ca 0.45 -0.44 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1t1r h SER 379 Cb 0.67 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1t1r h SER 379 CO -0.22 1.23 -0.12 0.58 -0.53 0.00 0.00 176.83 177.77 1t1r h VAL 380 N 0.76 1.26 0.13 2.23 2.07 0.15 -1.77 116.25 121.08 1t1r h VAL 380 Ca 0.07 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1t1r h VAL 380 Cb 0.95 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1t1r h VAL 380 CO 0.09 0.43 -0.06 -0.78 0.02 0.00 0.00 177.57 177.27 1t1r h ASP 381 N 0.79 -0.15 -0.99 0.57 3.58 -0.15 -0.68 116.42 119.39 1t1r h ASP 381 Ca 0.13 -0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.60 1t1r h ASP 381 Cb 0.64 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.67 1t1r h ASP 381 CO 0.04 -0.07 0.65 0.00 -2.88 0.00 0.00 179.24 176.98 1t1r h ALA 382 N 0.65 1.35 -0.06 -0.78 0.00 -0.99 -1.69 119.26 117.74 1t1r h ALA 382 Ca -0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1t1r h ALA 382 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1t1r h ALA 382 CO 0.03 0.49 -0.75 -0.91 0.00 0.00 0.00 179.25 178.10 1t1r h ASN 383 N 1.21 0.44 0.38 0.00 4.21 -1.08 -2.70 115.58 118.04 1t1r h ASN 383 Ca 0.41 -0.30 -0.12 0.00 1.21 0.00 0.00 56.30 57.51 1t1r h ASN 383 Cb 0.09 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1t1r h ASN 383 CO -0.15 1.04 -0.50 0.00 -1.29 0.00 0.00 177.43 176.52 1t1r h ALA 384 N 0.95 1.06 -0.29 -0.83 0.00 -0.74 -1.90 119.26 117.50 1t1r h ALA 384 Ca -0.03 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1t1r h ALA 384 Cb 1.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1t1r h ALA 384 CO 0.13 0.65 -0.13 0.00 0.00 0.00 0.00 179.25 179.90 1t1r h ARG 385 N 0.11 0.60 -0.14 0.00 3.08 -1.28 -0.97 114.38 115.78 1t1r h ARG 385 Ca 0.00 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1t1r h ARG 385 Cb 0.93 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1t1r h ARG 385 CO 0.07 0.83 0.06 0.93 -1.07 0.00 0.00 179.97 180.80 1t1r h GLU 386 N 0.36 0.21 -0.71 0.04 4.39 -1.30 0.15 114.58 117.72 1t1r h GLU 386 Ca 0.07 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1t1r h GLU 386 Cb 0.64 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.20 1t1r h GLU 386 CO 0.04 0.29 0.39 0.28 -1.16 0.00 0.00 179.01 178.85 1t1r h VAL 387 N 0.09 0.95 -0.49 3.13 2.07 -1.33 -1.88 116.25 118.78 1t1r h VAL 387 Ca 0.05 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1t1r h VAL 387 Cb 0.15 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1t1r h VAL 387 CO -0.00 0.13 0.17 0.00 0.02 0.00 0.00 177.57 177.88 1t1r h ALA 388 N 1.37 0.64 -0.74 1.67 0.00 -0.80 -1.85 119.26 119.56 1t1r h ALA 388 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1t1r h ALA 388 Cb 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1t1r h ALA 388 CO -0.20 0.28 0.47 0.00 0.00 0.00 0.00 179.25 179.80 1t1r h ARG 389 N 0.66 0.98 -0.44 0.00 3.08 -0.12 -1.37 114.38 117.17 1t1r h ARG 389 Ca 0.16 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1t1r h ARG 389 Cb 0.25 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1t1r h ARG 389 CO -0.01 0.67 -0.26 0.87 -1.07 0.00 0.00 179.97 180.17 1t1r h LYS 390 N 1.01 0.94 -0.03 0.04 1.57 -1.15 -0.87 116.57 118.07 1t1r h LYS 390 Ca 0.27 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1t1r h LYS 390 Cb -0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1t1r h LYS 390 CO -0.05 1.09 -0.18 0.93 -0.57 0.00 0.00 179.45 180.66 1t1r h GLU 391 N 0.81 -0.27 -0.72 3.15 4.39 -0.49 0.30 114.58 121.75 1t1r h GLU 391 Ca 0.10 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1t1r h GLU 391 Cb 0.83 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 1t1r h GLU 391 CO 0.07 -0.18 0.47 0.28 -1.16 0.00 0.00 179.01 178.49 1t1r h VAL 392 N -0.28 1.19 -0.19 3.13 2.07 -1.16 -1.04 116.25 119.98 1t1r h VAL 392 Ca 0.07 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1t1r h VAL 392 Cb 0.37 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1t1r h VAL 392 CO -0.20 0.19 -0.39 0.24 0.02 0.00 0.00 177.57 177.44 1t1r h MET 393 N 0.98 0.43 -0.10 1.57 2.86 -0.62 -2.38 114.93 117.66 1t1r h MET 393 Ca 0.26 -0.20 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1t1r h MET 393 Cb -0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1t1r h MET 393 CO -0.05 0.75 -0.57 -0.09 1.06 0.00 0.00 176.91 178.00 1t1r h ARG 394 N 0.36 0.32 0.00 1.72 2.43 -0.14 -2.77 114.38 116.29 1t1r h ARG 394 Ca 0.04 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1t1r h ARG 394 Cb 0.84 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1t1r h ARG 394 CO 0.07 0.80 0.00 -0.11 -1.51 0.00 0.00 179.97 179.22 1t1r n LEU 395 N -3.91 0.52 -1.32 3.80 7.94 -0.42 -2.82 117.00 120.79 1t1r n LEU 395 Ca -0.02 0.57 -0.05 0.00 -1.11 0.00 0.00 56.01 55.40 1t1r n LEU 395 Cb 0.60 -0.44 0.11 0.00 0.53 0.00 0.00 43.42 44.22 1t1r n LEU 395 CO 0.45 -0.25 0.69 0.00 -1.11 0.00 0.00 177.39 177.17 1t1r n ALA 396 N -1.69 3.48 -0.15 1.96 0.00 -0.92 -5.05 120.51 118.13 1t1r n ALA 396 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1t1r n ALA 396 Cb 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1t1r n ALA 396 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93