#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f91 s LYS 2 N 0.00 2.74 0.27 2.12 1.02 -1.26 -5.03 119.74 119.60 1f91 s LYS 2 Ca 0.00 1.41 -0.08 0.00 0.02 0.00 0.00 55.97 57.32 1f91 s LYS 2 Cb 0.00 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1f91 s LYS 2 CO 0.00 -1.30 0.57 1.03 -0.92 0.00 0.00 175.35 174.73 1f91 s ARG 3 N -4.10 3.73 -0.01 1.68 0.52 -1.26 -4.68 118.95 114.83 1f91 s ARG 3 Ca 0.67 0.19 0.05 0.00 -0.52 0.00 0.00 55.73 56.12 1f91 s ARG 3 Cb -0.21 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 1f91 s ARG 3 CO 0.42 0.24 -0.16 0.08 0.02 0.00 0.00 175.30 175.90 1f91 s VAL 4 N -1.98 1.26 0.19 3.52 1.01 -1.26 -1.83 120.40 121.31 1f91 s VAL 4 Ca 0.46 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1f91 s VAL 4 Cb -0.11 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1f91 s VAL 4 CO 0.26 0.36 0.02 0.68 0.00 0.00 0.00 175.10 176.41 1f91 s VAL 5 N -0.35 0.70 -0.23 2.92 -7.23 -0.07 -0.99 120.40 115.15 1f91 s VAL 5 Ca 0.06 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 1f91 s VAL 5 Cb -0.06 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1f91 s VAL 5 CO -0.00 -0.37 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.77 1f91 s ILE 6 N -3.64 3.60 -0.69 -0.62 1.01 -0.43 -0.35 121.20 120.07 1f91 s ILE 6 Ca 0.27 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1f91 s ILE 6 Cb 0.06 -2.68 0.30 0.00 0.01 0.00 0.00 42.46 40.15 1f91 s ILE 6 CO 0.06 0.36 1.24 0.35 0.00 0.00 0.00 174.94 176.96 1f91 n THR 7 N 4.82 1.20 -3.61 2.92 -2.24 -0.58 -1.68 114.28 115.11 1f91 n THR 7 Ca -0.17 -1.15 -0.04 0.00 -2.27 0.00 0.00 64.05 60.41 1f91 n THR 7 Cb 0.51 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1f91 n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1f91 s GLY 8 N -1.17 -0.14 0.02 3.38 0.00 -1.26 -3.93 107.32 104.21 1f91 s GLY 8 Ca 0.23 2.14 -0.18 0.00 0.00 0.00 0.00 44.72 46.91 1f91 s GLY 8 CO 0.13 0.83 0.40 0.48 0.00 0.00 0.00 173.10 174.94 1f91 s LEU 9 N -1.56 0.47 0.00 0.66 0.05 -1.26 -1.12 118.68 115.92 1f91 s LEU 9 Ca 0.07 0.08 -0.06 0.00 0.05 0.00 0.00 54.13 54.28 1f91 s LEU 9 Cb -0.01 1.64 -0.00 0.00 -2.05 0.00 0.00 46.19 45.77 1f91 s LEU 9 CO -0.05 -0.59 0.11 -0.83 -0.55 0.00 0.00 176.35 174.45 1f91 s GLY 10 N -1.72 0.07 -0.10 -3.48 0.00 -0.26 -3.47 107.32 98.36 1f91 s GLY 10 Ca -0.08 -0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 1f91 s GLY 10 CO 0.01 -0.31 0.75 -1.50 0.00 0.00 0.00 173.10 172.06 1f91 s ILE 11 N -1.33 0.00 -0.22 0.90 2.07 -1.26 -1.69 121.20 119.67 1f91 s ILE 11 Ca -0.14 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.05 1f91 s ILE 11 Cb -0.08 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.59 1f91 s ILE 11 CO 0.01 0.00 0.11 -0.69 -1.91 0.00 0.00 174.94 172.46 1f91 s VAL 12 N -0.97 -0.08 0.30 4.00 1.01 -0.38 -3.18 120.40 121.09 1f91 s VAL 12 Ca -0.08 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1f91 s VAL 12 Cb -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1f91 s VAL 12 CO 0.07 -0.47 0.24 -1.54 0.00 0.00 0.00 175.10 173.40 1f91 n SER 13 N 5.27 -0.47 0.23 3.32 3.41 0.37 -0.66 113.62 125.10 1f91 n SER 13 Ca -0.07 -2.96 0.16 0.00 -0.26 0.00 0.00 58.87 55.75 1f91 n SER 13 Cb 0.46 1.44 0.79 0.00 -0.26 0.00 0.00 64.21 66.65 1f91 n SER 13 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1f91 h SER 14 N 1.79 0.00 -0.13 4.04 4.64 -1.76 -2.60 113.55 119.53 1f91 h SER 14 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1f91 h SER 14 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1f91 h SER 14 CO 0.32 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.58 1f91 n ILE 15 N -2.67 1.88 0.00 0.95 -5.35 -1.26 -4.32 119.36 108.58 1f91 n ILE 15 Ca -0.01 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 1f91 n ILE 15 Cb 0.13 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1f91 n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f91 n GLY 16 N -0.81 3.62 1.25 3.28 0.00 -0.98 -3.82 105.19 107.74 1f91 n GLY 16 Ca 0.16 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1f91 n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f91 n ASN 17 N 0.00 3.71 -3.75 1.61 3.02 -1.26 -0.48 115.26 118.11 1f91 n ASN 17 Ca 0.00 -1.99 -0.04 0.00 -0.03 0.00 0.00 54.58 52.51 1f91 n ASN 17 Cb 0.00 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1f91 n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1f91 s ASN 18 N -1.24 -0.20 0.46 6.41 2.20 -1.19 -4.63 114.94 116.75 1f91 s ASN 18 Ca 0.44 -0.40 0.12 0.00 -0.94 0.00 0.00 52.86 52.08 1f91 s ASN 18 Cb 0.24 0.51 1.04 0.00 -2.00 0.00 0.00 41.25 41.04 1f91 s ASN 18 CO 0.32 -0.93 2.06 0.06 -2.94 0.00 0.00 177.10 175.67 1f91 h GLN 19 N 2.00 0.17 -0.21 3.55 3.07 -1.92 -2.02 115.11 119.75 1f91 h GLN 19 Ca -0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.48 1f91 h GLN 19 Cb 1.23 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 1f91 h GLN 19 CO 0.26 0.18 0.10 1.96 0.09 0.00 0.00 178.83 181.41 1f91 h GLN 20 N 0.17 0.30 -0.51 0.06 7.50 -1.99 0.05 115.11 120.69 1f91 h GLN 20 Ca 0.04 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 1f91 h GLN 20 Cb 0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 1f91 h GLN 20 CO 0.00 0.33 0.11 0.93 -1.50 0.00 0.00 178.83 178.70 1f91 h GLU 21 N 0.20 0.83 -0.59 1.46 5.08 -1.82 -2.55 114.58 117.18 1f91 h GLU 21 Ca 0.07 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1f91 h GLU 21 Cb 0.13 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1f91 h GLU 21 CO -0.01 0.80 0.36 0.28 -1.00 0.00 0.00 179.01 179.45 1f91 h VAL 22 N 0.71 1.17 -0.26 3.13 2.07 -1.20 -1.59 116.25 120.27 1f91 h VAL 22 Ca 0.16 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1f91 h VAL 22 Cb 0.36 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1f91 h VAL 22 CO 0.00 0.17 0.03 0.25 0.02 0.00 0.00 177.57 178.05 1f91 h LEU 23 N 0.80 -0.03 -0.39 2.57 5.85 -0.86 0.12 115.31 123.37 1f91 h LEU 23 Ca 0.21 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1f91 h LEU 23 Cb -0.03 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1f91 h LEU 23 CO -0.04 0.02 0.12 0.00 -0.34 0.00 0.00 178.44 178.20 1f91 h ALA 24 N 1.21 0.45 -0.29 1.25 0.00 -1.03 -0.09 119.26 120.76 1f91 h ALA 24 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1f91 h ALA 24 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1f91 h ALA 24 CO -0.18 -0.27 0.13 0.77 0.00 0.00 0.00 179.25 179.70 1f91 h SER 25 N 0.28 0.38 0.06 0.00 0.02 -0.82 -2.02 113.55 111.44 1f91 h SER 25 Ca 0.18 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1f91 h SER 25 Cb 0.17 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1f91 h SER 25 CO -0.19 0.41 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.74 1f91 h LEU 26 N 0.32 -0.26 -1.31 5.07 3.38 -0.38 0.32 115.31 122.46 1f91 h LEU 26 Ca 0.10 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1f91 h LEU 26 Cb 0.14 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1f91 h LEU 26 CO -0.01 -0.14 0.52 0.03 0.09 0.00 0.00 178.44 178.92 1f91 h ARG 27 N -0.19 0.79 -0.01 1.13 3.08 -0.95 -2.21 114.38 116.02 1f91 h ARG 27 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1f91 h ARG 27 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1f91 h ARG 27 CO -0.05 0.52 -0.38 0.39 -1.07 0.00 0.00 179.97 179.38 1f91 n GLU 28 N -4.49 0.78 -3.39 0.04 1.02 -0.77 -4.76 120.64 109.06 1f91 n GLU 28 Ca 0.12 -0.52 -0.19 0.00 -0.02 0.00 0.00 57.16 56.55 1f91 n GLU 28 Cb 0.25 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.26 1f91 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f91 n GLY 29 N 1.39 -0.33 3.78 0.62 0.00 0.10 -4.97 105.19 105.77 1f91 n GLY 29 Ca 0.10 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1f91 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f91 s ARG 30 N -5.78 4.17 0.34 1.61 3.52 -0.61 -5.00 118.95 117.20 1f91 s ARG 30 Ca 0.31 0.53 -0.23 0.00 -0.13 0.00 0.00 55.73 56.20 1f91 s ARG 30 Cb -0.14 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 1f91 s ARG 30 CO 0.65 0.45 0.91 0.45 -0.81 0.00 0.00 175.30 176.95 1f91 s SER 31 N -0.37 7.17 0.00 -2.12 0.15 -1.26 -4.81 113.70 112.45 1f91 s SER 31 Ca 0.26 1.73 0.13 0.00 0.70 0.00 0.00 55.95 58.77 1f91 s SER 31 Cb -0.17 -2.54 0.27 0.00 -1.71 0.00 0.00 66.02 61.87 1f91 s SER 31 CO 0.14 -0.15 1.17 0.61 1.20 0.00 0.00 173.24 176.21 1f91 n GLY 32 N 0.19 1.69 3.74 9.45 0.00 -0.18 -4.96 105.19 115.12 1f91 n GLY 32 Ca 0.03 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1f91 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f91 s ILE 33 N -1.04 4.46 0.29 -0.61 -1.09 -1.26 -4.07 121.20 117.88 1f91 s ILE 33 Ca 0.23 1.92 0.03 0.00 -2.23 0.00 0.00 60.65 60.60 1f91 s ILE 33 Cb 0.13 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1f91 s ILE 33 CO 0.18 0.39 0.19 0.42 -1.23 0.00 0.00 174.94 174.89 1f91 s THR 34 N -0.39 0.15 0.19 2.92 -4.23 -0.62 -4.32 115.64 109.34 1f91 s THR 34 Ca 0.42 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.64 1f91 s THR 34 Cb -0.23 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 1f91 s THR 34 CO 0.28 0.00 0.91 0.12 -0.54 0.00 0.00 174.62 175.39 1f91 s PHE 35 N -3.70 3.92 -0.30 3.99 5.36 -1.26 -2.19 117.98 123.80 1f91 s PHE 35 Ca 0.38 1.83 -0.03 0.00 -0.96 0.00 0.00 56.93 58.14 1f91 s PHE 35 Cb 0.05 -2.96 0.04 0.00 -0.34 0.00 0.00 43.02 39.81 1f91 s PHE 35 CO 0.19 0.39 0.03 0.45 -1.46 0.00 0.00 175.22 174.82 1f91 s SER 36 N -0.82 4.95 0.26 6.13 0.15 0.48 -4.90 113.70 119.94 1f91 s SER 36 Ca 0.42 -1.13 -0.03 0.00 0.70 0.00 0.00 55.95 55.91 1f91 s SER 36 Cb -0.25 -1.76 0.32 0.00 -1.71 0.00 0.00 66.02 62.62 1f91 s SER 36 CO 0.30 -0.25 1.77 -0.61 1.20 0.00 0.00 173.24 175.65 1f91 h GLN 37 N 8.08 0.86 -0.61 5.44 5.75 -1.96 -2.80 115.11 129.87 1f91 h GLN 37 Ca -0.24 -0.21 0.03 0.00 -0.15 0.00 0.00 58.65 58.08 1f91 h GLN 37 Cb 1.08 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.48 1f91 h GLN 37 CO 0.56 0.81 0.36 1.49 -2.65 0.00 0.00 178.83 179.41 1f91 h GLU 38 N 0.81 0.68 -0.28 1.69 4.81 -1.96 -0.33 114.58 119.99 1f91 h GLU 38 Ca 0.17 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1f91 h GLU 38 Cb 0.39 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1f91 h GLU 38 CO 0.01 0.45 0.03 -0.07 -0.73 0.00 0.00 179.01 178.70 1f91 h LEU 39 N 0.70 0.46 -0.19 1.64 3.38 -1.85 -2.12 115.31 117.34 1f91 h LEU 39 Ca 0.25 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1f91 h LEU 39 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1f91 h LEU 39 CO -0.12 0.63 0.10 0.50 0.09 0.00 0.00 178.44 179.63 1f91 h LYS 40 N 0.28 0.20 0.00 1.13 3.64 -1.23 -2.38 116.57 118.22 1f91 h LYS 40 Ca 0.08 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1f91 h LYS 40 Cb 0.37 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1f91 h LYS 40 CO 0.01 0.13 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.76 1f91 h ASP 41 N 0.21 0.00 0.78 4.20 3.32 -1.02 -1.71 116.42 122.20 1f91 h ASP 41 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1f91 h ASP 41 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1f91 h ASP 41 CO -0.05 0.13 0.00 0.77 -1.72 0.00 0.00 179.24 178.37 1f91 h SER 42 N 0.00 0.00 0.00 6.45 4.64 -0.85 -3.46 113.55 120.33 1f91 h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f91 h SER 42 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1f91 h SER 42 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1f91 n GLY 43 N -0.03 0.90 3.81 -0.77 0.00 -0.64 -5.09 105.19 103.38 1f91 n GLY 43 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1f91 n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f91 s MET 44 N -0.95 2.56 -0.00 1.61 -1.94 -1.12 -4.99 119.30 114.47 1f91 s MET 44 Ca 0.00 0.80 0.16 0.00 -1.71 0.00 0.00 55.69 54.94 1f91 s MET 44 Cb 0.00 -1.96 -0.19 0.00 2.01 0.00 0.00 34.83 34.69 1f91 s MET 44 CO 0.00 -1.33 0.68 0.54 -0.01 0.00 0.00 175.02 174.90 1f91 n ARG 45 N -3.26 0.63 -3.20 2.03 1.74 -1.26 -4.71 116.66 108.63 1f91 n ARG 45 Ca 0.07 0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 56.97 1f91 n ARG 45 Cb 0.55 -1.76 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1f91 n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1f91 s SER 46 N -5.80 6.62 -0.16 0.55 0.15 -1.26 -4.78 113.70 109.02 1f91 s SER 46 Ca -0.04 0.75 0.17 0.00 0.70 0.00 0.00 55.95 57.52 1f91 s SER 46 Cb 0.08 -2.31 0.35 0.00 -1.71 0.00 0.00 66.02 62.43 1f91 s SER 46 CO 0.82 -0.20 1.21 1.41 1.20 0.00 0.00 173.24 177.68 1f91 n HIS 47 N 4.78 0.16 -4.33 3.44 8.25 -1.26 -4.56 115.22 121.70 1f91 n HIS 47 Ca -0.04 -1.11 -0.23 0.00 -0.26 0.00 0.00 57.72 56.09 1f91 n HIS 47 Cb 0.50 -0.20 -0.12 0.00 1.12 0.00 0.00 29.99 31.29 1f91 n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1f91 s VAL 48 N -2.96 1.84 0.15 1.59 -7.23 -1.26 -0.39 120.40 112.14 1f91 s VAL 48 Ca 0.35 -1.81 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 1f91 s VAL 48 Cb 0.31 -1.78 0.07 0.00 0.56 0.00 0.00 36.38 35.53 1f91 s VAL 48 CO 0.02 -0.21 0.69 -1.66 -0.31 0.00 0.00 175.10 173.62 1f91 s TRP 49 N -1.73 -0.42 -0.76 2.82 -2.14 -0.93 -4.41 118.94 111.36 1f91 s TRP 49 Ca 0.13 0.17 -0.12 0.00 2.66 0.00 0.00 56.10 58.94 1f91 s TRP 49 Cb -0.07 0.59 0.20 0.00 -3.10 0.00 0.00 33.47 31.09 1f91 s TRP 49 CO 0.06 -0.87 0.68 0.20 -2.66 0.00 0.00 176.95 174.36 1f91 s GLY 50 N -2.75 2.58 0.27 3.67 0.00 -0.17 -1.58 107.32 109.34 1f91 s GLY 50 Ca 0.04 -3.24 -0.05 0.00 0.00 0.00 0.00 44.72 41.47 1f91 s GLY 50 CO -0.08 1.22 0.54 0.54 0.00 0.00 0.00 173.10 175.33 1f91 s ASN 51 N 2.02 6.46 -0.24 1.64 6.03 -1.26 -1.68 114.94 127.92 1f91 s ASN 51 Ca 0.16 0.72 -0.29 0.00 -1.03 0.00 0.00 52.86 52.42 1f91 s ASN 51 Cb -0.14 -2.14 0.01 0.00 -3.03 0.00 0.00 41.25 35.95 1f91 s ASN 51 CO -0.07 -0.17 1.08 -0.69 -2.03 0.00 0.00 177.10 175.22 1f91 s VAL 52 N -2.03 4.60 -1.31 3.54 1.01 -1.26 -4.06 120.40 120.89 1f91 s VAL 52 Ca 0.44 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 64.24 1f91 s VAL 52 Cb -0.11 -4.28 0.15 0.00 0.00 0.00 0.00 36.38 32.14 1f91 s VAL 52 CO 0.29 -0.22 1.96 0.29 0.00 0.00 0.00 175.10 177.42 1f91 n LYS 53 N 6.45 3.62 -3.67 2.72 4.76 -1.26 -4.89 118.16 125.88 1f91 n LYS 53 Ca 0.12 -3.41 -0.11 0.00 -2.87 0.00 0.00 58.31 52.04 1f91 n LYS 53 Cb 0.46 -2.94 -0.09 0.00 -1.84 0.00 0.00 35.03 30.63 1f91 n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1f91 s LEU 54 N -0.06 -0.35 -0.37 -0.35 2.96 -1.26 -4.95 118.68 114.30 1f91 s LEU 54 Ca 0.42 1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 55.30 1f91 s LEU 54 Cb 0.11 1.93 0.01 0.00 0.50 0.00 0.00 46.19 48.74 1f91 s LEU 54 CO -0.01 -0.21 0.64 -0.62 -1.32 0.00 0.00 176.35 174.83 1f91 s ASP 55 N 0.86 6.41 0.25 3.68 2.15 -1.26 -4.91 116.67 123.84 1f91 s ASP 55 Ca -0.04 0.07 0.25 0.00 0.43 0.00 0.00 52.55 53.25 1f91 s ASP 55 Cb -0.05 -2.33 0.58 0.00 -0.30 0.00 0.00 42.92 40.82 1f91 s ASP 55 CO -0.07 -0.63 1.63 0.71 -0.17 0.00 0.00 175.17 176.64 1f91 h THR 56 N 5.71 0.00 -0.91 1.71 1.35 -1.99 -3.46 112.91 115.32 1f91 h THR 56 Ca -0.26 -0.63 -0.72 0.00 -0.55 0.00 0.00 66.41 64.25 1f91 h THR 56 Cb 1.11 1.54 0.04 0.00 -1.73 0.00 0.00 68.15 69.12 1f91 h THR 56 CO 0.85 0.00 0.07 0.41 -0.25 0.00 0.00 175.52 176.59 1f91 n THR 57 N -2.47 0.00 -0.79 6.82 -1.04 -1.26 -0.52 114.28 115.02 1f91 n THR 57 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1f91 n THR 57 Cb 0.46 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1f91 n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1f91 n GLY 58 N 1.41 0.12 0.00 3.41 0.00 -1.26 -4.80 105.19 104.07 1f91 n GLY 58 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1f91 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f91 n LEU 59 N 0.00 0.06 -3.97 0.99 4.77 0.32 -4.77 117.00 114.40 1f91 n LEU 59 Ca 0.00 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.23 1f91 n LEU 59 Cb 0.21 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 1f91 n LEU 59 CO 0.00 0.01 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.04 1f91 s ILE 60 N -2.92 0.43 0.26 -0.08 1.01 -1.26 -5.08 121.20 113.56 1f91 s ILE 60 Ca 0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1f91 s ILE 60 Cb 0.19 -0.39 -0.14 0.00 0.01 0.00 0.00 42.46 42.14 1f91 s ILE 60 CO 0.53 0.06 1.28 -0.67 0.00 0.00 0.00 174.94 176.14 1f91 n ASP 61 N 2.76 2.33 -0.32 3.58 2.03 -1.26 -4.69 116.55 120.98 1f91 n ASP 61 Ca -0.14 1.16 0.11 0.00 0.52 0.00 0.00 54.79 56.44 1f91 n ASP 61 Cb 0.58 -1.39 0.32 0.00 -0.72 0.00 0.00 41.12 39.91 1f91 n ASP 61 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1f91 h ARG 62 N 3.37 0.78 0.00 -0.67 3.08 -1.98 0.56 114.38 119.52 1f91 h ARG 62 Ca -0.44 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 1f91 h ARG 62 Cb 1.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1f91 h ARG 62 CO 0.70 0.52 -0.20 0.87 -1.07 0.00 0.00 179.97 180.78 1f91 h LYS 63 N 0.81 0.00 0.03 0.04 1.57 -2.02 -3.00 116.57 114.00 1f91 h LYS 63 Ca 0.49 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.96 1f91 h LYS 63 Cb 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1f91 h LYS 63 CO -0.25 0.20 -1.71 0.28 -0.57 0.00 0.00 179.45 177.39 1f91 n VAL 64 N -3.44 1.59 0.30 0.50 0.31 -0.36 -4.36 118.33 112.87 1f91 n VAL 64 Ca -0.00 -0.27 0.18 0.00 -0.01 0.00 0.00 64.34 64.24 1f91 n VAL 64 Cb 0.38 -1.91 0.86 0.00 -0.91 0.00 0.00 33.84 32.27 1f91 n VAL 64 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1f91 h VAL 65 N -0.68 0.00 0.00 2.52 3.04 -1.01 -2.95 116.25 117.17 1f91 h VAL 65 Ca -0.44 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1f91 h VAL 65 Cb 1.57 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1f91 h VAL 65 CO -0.16 0.00 0.00 0.08 -1.01 0.00 0.00 177.57 176.48 1f91 h ARG 66 N 0.00 0.00 -0.01 4.17 0.11 -1.72 -1.33 114.38 115.60 1f91 h ARG 66 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1f91 h ARG 66 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1f91 h ARG 66 CO 0.00 0.00 -0.61 1.19 0.10 0.00 0.00 179.97 180.65 1f91 n PHE 67 N -2.70 0.00 -3.79 4.08 3.01 -1.11 -4.85 117.46 112.10 1f91 n PHE 67 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1f91 n PHE 67 Cb 0.16 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1f91 n PHE 67 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1f91 s MET 68 N -2.76 3.54 0.47 -1.08 -1.94 -0.50 -3.35 119.30 113.67 1f91 s MET 68 Ca 0.15 -0.23 0.08 0.00 -1.71 0.00 0.00 55.69 53.98 1f91 s MET 68 Cb 0.18 -2.96 0.02 0.00 2.01 0.00 0.00 34.83 34.08 1f91 s MET 68 CO 0.69 0.55 0.55 -1.54 -0.01 0.00 0.00 175.02 175.26 1f91 s SER 69 N -2.35 5.22 0.34 3.03 1.04 -1.26 -4.93 113.70 114.79 1f91 s SER 69 Ca 0.36 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1f91 s SER 69 Cb -0.13 -0.26 0.59 0.00 0.10 0.00 0.00 66.02 66.33 1f91 s SER 69 CO 0.25 -0.92 2.00 0.44 0.98 0.00 0.00 173.24 175.98 1f91 h ASP 70 N 0.64 0.77 -0.56 7.02 3.32 -1.93 -1.66 116.42 124.01 1f91 h ASP 70 Ca -0.37 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.68 1f91 h ASP 70 Cb 1.28 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 1f91 h ASP 70 CO 0.49 0.57 0.33 0.00 -1.72 0.00 0.00 179.24 178.90 1f91 h ALA 71 N 1.57 0.73 -0.62 3.45 0.00 -1.87 -0.28 119.26 122.24 1f91 h ALA 71 Ca 0.24 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1f91 h ALA 71 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1f91 h ALA 71 CO -0.05 0.03 0.05 0.77 0.00 0.00 0.00 179.25 180.05 1f91 h SER 72 N 0.64 1.02 -0.32 0.00 0.02 -1.75 -1.65 113.55 111.50 1f91 h SER 72 Ca 0.23 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1f91 h SER 72 Cb 0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1f91 h SER 72 CO -0.12 1.04 0.18 0.40 -1.14 0.00 0.00 176.83 177.20 1f91 h ILE 73 N 0.98 1.13 -0.47 3.27 2.04 -0.68 0.24 117.51 124.01 1f91 h ILE 73 Ca 0.18 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1f91 h ILE 73 Cb 0.49 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1f91 h ILE 73 CO 0.02 0.13 0.19 1.88 0.00 0.00 0.00 178.15 180.36 1f91 h TYR 74 N 0.41 0.71 -0.62 1.37 0.05 -0.92 -0.58 116.97 117.38 1f91 h TYR 74 Ca 0.11 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 1f91 h TYR 74 Cb 0.04 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1f91 h TYR 74 CO -0.03 0.60 0.05 0.00 -1.05 0.00 0.00 178.16 177.73 1f91 h ALA 75 N 1.03 0.83 -0.06 3.88 0.00 -1.10 -1.35 119.26 122.49 1f91 h ALA 75 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f91 h ALA 75 Cb 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1f91 h ALA 75 CO -0.01 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.25 1f91 h PHE 76 N 0.97 0.06 -0.70 0.00 3.57 -0.23 0.03 116.94 120.63 1f91 h PHE 76 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1f91 h PHE 76 Cb 0.50 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1f91 h PHE 76 CO 0.04 0.03 0.38 -0.07 -2.23 0.00 0.00 178.31 176.46 1f91 h LEU 77 N 0.07 0.86 -1.09 0.59 3.38 -0.98 -2.02 115.31 116.11 1f91 h LEU 77 Ca 0.02 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1f91 h LEU 77 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1f91 h LEU 77 CO -0.02 0.70 -0.33 0.28 0.09 0.00 0.00 178.44 179.16 1f91 h SER 78 N 0.98 0.22 -0.26 -0.43 0.02 -0.74 -2.78 113.55 110.56 1f91 h SER 78 Ca 0.25 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.93 1f91 h SER 78 Cb 0.02 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1f91 h SER 78 CO -0.04 0.55 -0.57 -0.03 -1.14 0.00 0.00 176.83 175.59 1f91 h MET 79 N 0.19 0.84 -0.40 3.45 1.85 -0.33 -1.08 114.93 119.46 1f91 h MET 79 Ca 0.02 -0.56 0.05 0.00 -0.61 0.00 0.00 59.70 58.60 1f91 h MET 79 Cb 0.68 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.74 1f91 h MET 79 CO 0.05 1.19 0.12 0.93 -0.40 0.00 0.00 176.91 178.81 1f91 h GLU 80 N 0.61 0.27 -0.15 0.39 5.08 -1.24 0.20 114.58 119.74 1f91 h GLU 80 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1f91 h GLU 80 Cb 1.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1f91 h GLU 80 CO 0.13 0.18 0.06 1.96 -1.00 0.00 0.00 179.01 180.33 1f91 h GLN 81 N 0.27 0.14 -0.76 2.33 4.20 -1.41 -2.02 115.11 117.85 1f91 h GLN 81 Ca 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1f91 h GLN 81 Cb 0.19 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1f91 h GLN 81 CO -0.21 0.09 0.47 0.00 -0.67 0.00 0.00 178.83 178.51 1f91 h ALA 82 N 1.08 1.39 -0.34 3.87 0.00 -0.50 0.54 119.26 125.30 1f91 h ALA 82 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1f91 h ALA 82 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1f91 h ALA 82 CO -0.05 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.56 1f91 h ILE 83 N 1.05 1.26 -0.18 0.00 2.04 -0.28 -0.84 117.51 120.55 1f91 h ILE 83 Ca 0.28 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1f91 h ILE 83 Cb -0.06 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1f91 h ILE 83 CO -0.05 0.31 0.01 0.00 0.00 0.00 0.00 178.15 178.42 1f91 h ALA 84 N 0.86 0.24 0.00 1.87 0.00 -1.03 -2.57 119.26 118.63 1f91 h ALA 84 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1f91 h ALA 84 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1f91 h ALA 84 CO 0.02 -0.06 -0.06 0.22 0.00 0.00 0.00 179.25 179.36 1f91 h ASP 85 N 0.08 0.00 0.44 0.00 3.58 -0.84 -1.41 116.42 118.27 1f91 h ASP 85 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1f91 h ASP 85 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1f91 h ASP 85 CO 0.01 0.06 -0.15 0.00 -2.88 0.00 0.00 179.24 176.28 1f91 n ALA 86 N -2.49 2.81 -2.13 -0.78 0.00 -0.33 -4.75 120.51 112.85 1f91 n ALA 86 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1f91 n ALA 86 Cb 0.14 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1f91 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f91 n GLY 87 N 1.33 0.04 3.87 0.00 0.00 -0.53 -4.79 105.19 105.11 1f91 n GLY 87 Ca 0.12 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1f91 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f91 s LEU 88 N -3.48 4.37 0.19 0.99 1.43 -1.00 -5.07 118.68 116.11 1f91 s LEU 88 Ca 0.00 0.68 0.09 0.00 -1.03 0.00 0.00 54.13 53.88 1f91 s LEU 88 Cb 0.00 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1f91 s LEU 88 CO 0.00 0.22 -0.11 -0.44 0.23 0.00 0.00 176.35 176.25 1f91 s SER 89 N -1.69 4.15 0.17 2.29 0.01 -1.26 -4.69 113.70 112.68 1f91 s SER 89 Ca 0.30 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 56.73 1f91 s SER 89 Cb -0.14 -0.66 0.09 0.00 0.21 0.00 0.00 66.02 65.52 1f91 s SER 89 CO 0.17 0.10 1.33 -2.65 0.41 0.00 0.00 173.24 172.60 1f91 n PRO 90 N 0.03 -0.28 0.00 12.44 -0.02 -1.26 0.00 135.00 145.92 1f91 n PRO 90 Ca -0.11 1.31 0.02 0.00 -2.02 0.00 0.00 63.50 62.70 1f91 n PRO 90 Cb 0.56 -1.94 0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1f91 n PRO 90 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1f91 n GLU 91 N -5.18 0.01 0.02 -0.52 0.00 -1.26 -0.40 120.64 113.31 1f91 n GLU 91 Ca 0.06 0.39 0.01 0.00 0.00 0.00 0.00 57.16 57.62 1f91 n GLU 91 Cb 0.29 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.14 1f91 n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f91 n ALA 92 N -1.44 2.06 0.00 -1.84 0.00 0.10 -4.52 120.51 114.87 1f91 n ALA 92 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1f91 n ALA 92 Cb 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1f91 n ALA 92 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1f91 n TYR 93 N -2.76 0.00 -3.40 0.00 0.18 -0.83 -4.94 117.16 105.41 1f91 n TYR 93 Ca -0.11 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.34 1f91 n TYR 93 Cb 0.81 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.72 1f91 n TYR 93 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1f91 s GLN 94 N -0.88 3.88 -1.56 -3.48 -0.21 0.46 -4.18 119.66 113.69 1f91 s GLN 94 Ca 0.00 0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.58 1f91 s GLN 94 Cb 0.00 -2.81 0.15 0.00 1.00 0.00 0.00 33.01 31.36 1f91 s GLN 94 CO 0.00 0.41 0.65 0.09 -2.12 0.00 0.00 175.29 174.32 1f91 n ASN 95 N 0.38 -2.98 -4.08 5.90 3.02 -0.04 -4.84 115.26 112.62 1f91 n ASN 95 Ca -0.03 -0.85 -0.32 0.00 -0.03 0.00 0.00 54.58 53.35 1f91 n ASN 95 Cb 0.52 -2.48 -0.15 0.00 -0.61 0.00 0.00 39.78 37.06 1f91 n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1f91 s ASN 96 N -3.09 4.18 0.60 6.41 3.84 -1.26 -4.95 114.94 120.66 1f91 s ASN 96 Ca 0.66 -1.25 0.30 0.00 0.21 0.00 0.00 52.86 52.78 1f91 s ASN 96 Cb -0.37 -1.53 1.72 0.00 -0.55 0.00 0.00 41.25 40.52 1f91 s ASN 96 CO 0.81 -0.15 2.12 -0.65 -2.79 0.00 0.00 177.10 176.44 1f91 h PRO 97 N 7.81 0.00 -0.08 0.43 0.11 -1.91 -1.25 132.00 137.11 1f91 h PRO 97 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1f91 h PRO 97 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1f91 h PRO 97 CO 0.50 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 1f91 n ARG 98 N -3.72 1.47 -4.49 1.05 5.12 -1.26 -3.93 116.66 110.90 1f91 n ARG 98 Ca 0.01 -0.70 -0.33 0.00 -1.93 0.00 0.00 57.85 54.89 1f91 n ARG 98 Cb 0.29 -1.40 -0.16 0.00 -1.16 0.00 0.00 32.46 30.03 1f91 n ARG 98 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1f91 s VAL 99 N -1.91 2.37 0.17 1.55 1.01 -0.47 -0.70 120.40 122.41 1f91 s VAL 99 Ca 0.34 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1f91 s VAL 99 Cb 0.18 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1f91 s VAL 99 CO 0.28 0.53 0.04 0.61 0.00 0.00 0.00 175.10 176.56 1f91 n GLY 100 N 4.19 3.82 3.09 4.51 0.00 -0.40 -0.86 105.19 119.55 1f91 n GLY 100 Ca -0.20 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 1f91 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f91 s LEU 101 N 0.00 0.11 -0.29 0.99 0.20 -0.43 -0.76 118.68 118.50 1f91 s LEU 101 Ca 0.06 0.63 -0.01 0.00 0.69 0.00 0.00 54.13 55.50 1f91 s LEU 101 Cb 0.00 0.87 0.09 0.00 -0.43 0.00 0.00 46.19 46.73 1f91 s LEU 101 CO 0.04 -0.19 0.09 -0.63 -0.29 0.00 0.00 176.35 175.37 1f91 s ILE 102 N 1.60 0.80 -0.02 6.68 1.01 0.39 -3.03 121.20 128.64 1f91 s ILE 102 Ca -0.07 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.24 1f91 s ILE 102 Cb -0.10 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1f91 s ILE 102 CO -0.10 -0.61 0.16 0.00 0.00 0.00 0.00 174.94 174.39 1f91 s ALA 103 N 1.66 -0.38 0.20 9.38 0.00 -1.19 -2.67 121.76 128.77 1f91 s ALA 103 Ca 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 1f91 s ALA 103 Cb -0.17 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1f91 s ALA 103 CO -0.24 -0.17 0.30 0.41 0.00 0.00 0.00 175.76 176.07 1f91 n GLY 104 N 1.96 2.40 3.23 0.00 0.00 -1.07 -3.65 105.19 108.06 1f91 n GLY 104 Ca -0.19 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1f91 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f91 s SER 105 N -2.24 0.88 -0.00 1.61 1.04 -1.26 -2.03 113.70 111.69 1f91 s SER 105 Ca 0.16 -1.25 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 1f91 s SER 105 Cb -0.01 0.20 -0.27 0.00 0.10 0.00 0.00 66.02 66.05 1f91 s SER 105 CO 0.11 -0.67 0.84 1.23 0.98 0.00 0.00 173.24 175.72 1f91 h GLY 106 N 2.66 0.23 0.00 7.32 0.00 -1.83 -3.41 103.07 108.04 1f91 h GLY 106 Ca -0.37 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1f91 h GLY 106 CO 0.60 0.52 0.00 0.61 0.00 0.00 0.00 176.54 178.27 1f91 n GLY 107 N 1.65 0.66 7.00 4.60 0.00 -1.26 -4.75 105.19 113.09 1f91 n GLY 107 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1f91 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 108 N -0.24 1.63 2.59 -0.02 0.00 -1.26 -4.00 105.19 103.89 1f91 n GLY 108 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1f91 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f91 s SER 109 N -4.00 0.26 0.29 1.61 0.15 -1.26 -4.71 113.70 106.04 1f91 s SER 109 Ca 0.00 -2.35 0.02 0.00 0.70 0.00 0.00 55.95 54.32 1f91 s SER 109 Cb 0.00 0.61 0.57 0.00 -1.71 0.00 0.00 66.02 65.49 1f91 s SER 109 CO 0.00 -0.14 1.85 -0.65 1.20 0.00 0.00 173.24 175.50 1f91 h PRO 110 N 5.59 0.95 -0.27 5.44 0.11 -1.92 -1.61 132.00 140.29 1f91 h PRO 110 Ca 0.16 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.27 1f91 h PRO 110 Cb 1.01 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.85 1f91 h PRO 110 CO 0.21 0.63 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.47 1f91 h ARG 111 N 0.98 0.00 0.00 1.05 2.43 -1.93 -0.79 114.38 116.12 1f91 h ARG 111 Ca 0.49 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1f91 h ARG 111 Cb 0.48 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1f91 h ARG 111 CO -0.25 0.00 0.00 0.74 -1.51 0.00 0.00 179.97 178.95 1f91 h PHE 112 N 0.00 0.00 -0.34 2.20 -1.00 -1.80 -0.64 116.94 115.36 1f91 h PHE 112 Ca 0.13 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.75 1f91 h PHE 112 Cb 0.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 1f91 h PHE 112 CO -0.27 0.00 -0.44 1.96 -1.61 0.00 0.00 178.31 177.95 1f91 h GLN 113 N 0.00 0.88 -0.30 1.51 4.20 -0.88 -2.11 115.11 118.40 1f91 h GLN 113 Ca 0.00 -0.49 -0.17 0.00 0.06 0.00 0.00 58.65 58.05 1f91 h GLN 113 Cb 0.97 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1f91 h GLN 113 CO 0.00 1.14 -0.49 0.28 -0.67 0.00 0.00 178.83 179.09 1f91 h VAL 114 N 0.70 1.28 -0.74 -0.54 2.07 -1.01 -2.93 116.25 115.08 1f91 h VAL 114 Ca 0.04 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 65.97 1f91 h VAL 114 Cb 1.03 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 1f91 h VAL 114 CO 0.10 0.54 0.41 0.15 0.02 0.00 0.00 177.57 178.80 1f91 h PHE 115 N 0.63 0.75 -0.64 1.57 3.57 -0.99 0.09 116.94 121.92 1f91 h PHE 115 Ca 0.02 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1f91 h PHE 115 Cb 1.09 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1f91 h PHE 115 CO 0.07 0.33 0.09 0.78 -2.23 0.00 0.00 178.31 177.35 1f91 h GLY 116 N 0.73 1.14 0.91 2.40 0.00 -1.35 0.24 103.07 107.14 1f91 h GLY 116 Ca 0.34 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1f91 h GLY 116 CO -0.22 0.72 0.02 0.00 0.00 0.00 0.00 176.54 177.06 1f91 h ALA 117 N 1.03 0.46 -0.15 3.60 0.00 -1.19 -0.73 119.26 122.27 1f91 h ALA 117 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1f91 h ALA 117 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f91 h ALA 117 CO 0.01 0.19 0.05 -0.44 0.00 0.00 0.00 179.25 179.07 1f91 h ASP 118 N 0.40 0.22 -0.15 0.00 3.45 -0.88 -2.17 116.42 117.30 1f91 h ASP 118 Ca 0.10 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.40 1f91 h ASP 118 Cb 0.41 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.09 1f91 h ASP 118 CO 0.01 0.35 -0.06 0.00 -1.57 0.00 0.00 179.24 177.97 1f91 h ALA 119 N 0.88 0.07 -0.97 3.45 0.00 -0.88 -2.51 119.26 119.29 1f91 h ALA 119 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1f91 h ALA 119 Cb 0.21 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1f91 h ALA 119 CO -0.00 -0.51 0.63 1.98 0.00 0.00 0.00 179.25 181.35 1f91 h MET 120 N -0.04 1.09 0.00 0.00 1.85 -1.05 -0.56 114.93 116.22 1f91 h MET 120 Ca 0.08 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1f91 h MET 120 Cb 0.17 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 31.95 1f91 h MET 120 CO -0.18 0.72 0.00 0.54 -0.40 0.00 0.00 176.91 177.59 1f91 n ARG 121 N -4.50 0.96 -2.70 0.39 1.74 -0.82 -4.19 116.66 107.54 1f91 n ARG 121 Ca 0.15 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.00 1f91 n ARG 121 Cb 0.20 -1.37 0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1f91 n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1f91 s GLY 122 N -1.74 1.76 0.67 -0.13 0.00 -0.22 -4.99 107.32 102.67 1f91 s GLY 122 Ca 0.34 -1.83 0.43 0.00 0.00 0.00 0.00 44.72 43.66 1f91 s GLY 122 CO 0.26 -1.29 2.34 -0.56 0.00 0.00 0.00 173.10 173.85 1f91 h PRO 123 N -0.35 0.00 0.00 2.90 0.13 -1.88 -2.64 132.00 130.16 1f91 h PRO 123 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1f91 h PRO 123 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1f91 h PRO 123 CO 0.40 0.00 -1.58 0.54 -0.23 0.00 0.00 178.00 177.14 1f91 n ARG 124 N -3.10 0.59 0.00 0.86 5.12 -1.26 -5.05 116.66 113.81 1f91 n ARG 124 Ca -0.03 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1f91 n ARG 124 Cb 0.10 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 1f91 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1f91 n GLY 125 N 1.25 3.06 0.42 -0.13 0.00 -1.00 -2.48 105.19 106.32 1f91 n GLY 125 Ca -0.02 -0.22 0.22 0.00 0.00 0.00 0.00 46.02 46.01 1f91 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1f91 h LEU 126 N 0.00 0.28 -0.97 0.99 3.38 -1.87 -1.34 115.31 115.77 1f91 h LEU 126 Ca 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1f91 h LEU 126 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1f91 h LEU 126 CO 0.00 0.10 0.03 0.11 0.09 0.00 0.00 178.44 178.77 1f91 h LYS 127 N 0.27 0.78 -0.05 1.13 1.57 -1.88 -2.73 116.57 115.66 1f91 h LYS 127 Ca 0.46 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1f91 h LYS 127 Cb 1.36 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1f91 h LYS 127 CO -0.13 0.77 -0.70 0.00 -0.57 0.00 0.00 179.45 178.81 1f91 h ALA 128 N 1.30 0.72 -0.24 3.86 0.00 -1.36 -3.22 119.26 120.32 1f91 h ALA 128 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1f91 h ALA 128 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1f91 h ALA 128 CO 0.01 0.79 0.15 0.28 0.00 0.00 0.00 179.25 180.48 1f91 h VAL 129 N 0.17 1.08 0.00 0.00 2.07 -1.28 -3.48 116.25 114.80 1f91 h VAL 129 Ca -0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1f91 h VAL 129 Cb 1.25 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1f91 h VAL 129 CO 0.11 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1f91 n GLY 130 N -1.09 -1.34 0.65 2.17 0.00 -1.08 -4.57 105.19 99.93 1f91 n GLY 130 Ca -0.03 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.50 1f91 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f91 n PRO 131 N -1.38 1.84 -0.06 1.61 -0.04 -1.26 -4.26 135.00 131.45 1f91 n PRO 131 Ca 0.00 -1.27 0.06 0.00 -0.04 0.00 0.00 63.50 62.25 1f91 n PRO 131 Cb 0.00 -1.38 0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1f91 n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f91 n TYR 132 N 0.50 0.17 0.05 0.54 4.01 -1.26 -4.65 117.16 116.51 1f91 n TYR 132 Ca 0.16 -0.16 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1f91 n TYR 132 Cb 0.35 -0.01 0.16 0.00 -0.31 0.00 0.00 39.34 39.54 1f91 n TYR 132 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1f91 h VAL 133 N 2.39 1.31 0.18 -0.72 2.07 -1.81 -3.20 116.25 116.47 1f91 h VAL 133 Ca 0.00 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1f91 h VAL 133 Cb 0.60 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1f91 h VAL 133 CO 0.00 0.48 -0.20 0.58 0.02 0.00 0.00 177.57 178.45 1f91 h VAL 134 N 0.32 0.57 0.00 2.57 2.07 -1.91 0.20 116.25 120.08 1f91 h VAL 134 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1f91 h VAL 134 Cb 0.87 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1f91 h VAL 134 CO 0.07 0.00 -0.01 0.71 0.02 0.00 0.00 177.57 178.37 1f91 h THR 135 N -0.41 0.03 0.10 2.57 1.35 -1.83 0.54 112.91 115.25 1f91 h THR 135 Ca 0.01 -0.26 -0.31 0.00 -0.55 0.00 0.00 66.41 65.29 1f91 h THR 135 Cb 0.40 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1f91 h THR 135 CO -0.06 0.01 -1.62 0.11 -0.25 0.00 0.00 175.52 173.71 1f91 h LYS 136 N 0.00 0.20 0.00 4.72 1.57 -1.35 -3.40 116.57 118.31 1f91 h LYS 136 Ca -0.00 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.31 1f91 h LYS 136 Cb 0.25 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1f91 h LYS 136 CO 0.00 1.02 -1.40 0.00 -0.57 0.00 0.00 179.45 178.50 1f91 n ALA 137 N -2.69 2.14 -1.75 3.86 0.00 0.65 -4.29 120.51 118.42 1f91 n ALA 137 Ca -0.18 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.38 1f91 n ALA 137 Cb 1.04 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.58 1f91 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f91 s MET 138 N -3.07 3.18 0.58 0.00 0.23 0.14 -4.09 119.30 116.27 1f91 s MET 138 Ca -0.03 2.05 0.27 0.00 -1.03 0.00 0.00 55.69 56.95 1f91 s MET 138 Cb 0.09 -2.19 1.72 0.00 -1.53 0.00 0.00 34.83 32.92 1f91 s MET 138 CO 0.81 -1.10 2.23 0.00 -2.03 0.00 0.00 175.02 174.94 1f91 h ALA 139 N 1.39 1.59 -0.43 3.16 0.00 -1.92 -1.90 119.26 121.15 1f91 h ALA 139 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1f91 h ALA 139 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1f91 h ALA 139 CO 0.57 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 1f91 n SER 140 N -3.95 3.19 -0.18 0.00 3.41 -1.26 -4.51 113.62 110.31 1f91 n SER 140 Ca -0.03 -2.26 -0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1f91 n SER 140 Cb 0.09 -0.45 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1f91 n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1f91 h GLY 141 N 4.71 0.68 0.54 5.00 0.00 -1.57 -0.74 103.07 111.69 1f91 h GLY 141 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1f91 h GLY 141 CO 0.14 -0.12 0.63 -2.08 0.00 0.00 0.00 176.54 175.12 1f91 h VAL 142 N 0.22 0.96 0.16 4.60 2.07 -1.85 0.01 116.25 122.41 1f91 h VAL 142 Ca 0.29 -0.35 -0.33 0.00 0.82 0.00 0.00 66.70 67.13 1f91 h VAL 142 Cb 0.43 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1f91 h VAL 142 CO -0.40 0.19 -1.60 0.77 0.02 0.00 0.00 177.57 176.55 1f91 h SER 143 N 1.03 0.54 -0.53 0.57 4.64 -1.52 -3.25 113.55 115.03 1f91 h SER 143 Ca 0.48 -0.74 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1f91 h SER 143 Cb 0.42 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1f91 h SER 143 CO -0.24 1.61 0.15 0.00 -0.87 0.00 0.00 176.83 177.48 1f91 h ALA 144 N 0.31 0.69 0.00 5.18 0.00 -0.84 -0.99 119.26 123.61 1f91 h ALA 144 Ca -0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1f91 h ALA 144 Cb 2.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1f91 h ALA 144 CO 0.19 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1f91 n LEU 146 N -1.74 2.14 0.01 0.00 4.32 -1.11 -4.35 117.00 116.27 1f91 n LEU 146 Ca 0.05 0.17 0.06 0.00 -0.02 0.00 0.00 56.01 56.27 1f91 n LEU 146 Cb 0.29 -0.76 0.46 0.00 -1.62 0.00 0.00 43.42 41.79 1f91 n LEU 146 CO 0.23 0.64 1.16 0.00 -1.22 0.00 0.00 177.39 178.19 1f91 h ALA 147 N -0.62 1.80 0.18 -1.18 0.00 -1.28 -2.12 119.26 116.05 1f91 h ALA 147 Ca -0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1f91 h ALA 147 Cb 1.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1f91 h ALA 147 CO -0.29 0.16 -0.09 1.15 0.00 0.00 0.00 179.25 180.18 1f91 h THR 148 N 0.47 0.84 0.00 0.00 2.02 -1.76 -1.14 112.91 113.35 1f91 h THR 148 Ca 0.16 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 1f91 h THR 148 Cb 0.06 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1f91 h THR 148 CO -0.04 0.20 -0.32 1.55 0.37 0.00 0.00 175.52 177.28 1f91 h PRO 149 N -0.82 0.00 -0.40 6.66 0.13 -1.75 -2.83 132.00 133.00 1f91 h PRO 149 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1f91 h PRO 149 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1f91 h PRO 149 CO 0.04 0.32 0.00 1.19 -0.23 0.00 0.00 178.00 179.33 1f91 n PHE 150 N -3.67 0.46 -3.88 1.56 3.01 -0.80 -4.92 117.46 109.22 1f91 n PHE 150 Ca -0.01 -0.20 -0.27 0.00 1.01 0.00 0.00 57.45 57.98 1f91 n PHE 150 Cb 0.43 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.86 1f91 n PHE 150 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1f91 n LYS 151 N 0.29 -4.65 -2.69 -1.08 4.76 -1.07 -4.60 118.16 109.12 1f91 n LYS 151 Ca 0.09 0.55 -0.41 0.00 -2.87 0.00 0.00 58.31 55.67 1f91 n LYS 151 Cb 0.31 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.31 1f91 n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1f91 s ILE 152 N -3.56 4.58 -0.34 -0.18 -1.09 -0.44 -0.86 121.20 119.31 1f91 s ILE 152 Ca 0.31 2.01 0.06 0.00 -2.23 0.00 0.00 60.65 60.80 1f91 s ILE 152 Cb -0.16 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.38 1f91 s ILE 152 CO 0.84 0.25 0.30 1.41 -1.23 0.00 0.00 174.94 176.51 1f91 n HIS 153 N 3.23 0.00 -0.15 3.97 8.25 -1.24 -4.88 115.22 124.40 1f91 n HIS 153 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1f91 n HIS 153 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1f91 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f91 n GLY 154 N 1.08 1.18 3.74 -1.41 0.00 -0.03 -4.64 105.19 105.11 1f91 n GLY 154 Ca 0.01 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1f91 n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f91 s VAL 155 N 1.12 2.47 -0.29 1.61 -7.23 -1.26 -4.85 120.40 111.97 1f91 s VAL 155 Ca 0.00 0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.47 1f91 s VAL 155 Cb 0.00 -2.97 0.19 0.00 0.56 0.00 0.00 36.38 34.16 1f91 s VAL 155 CO 0.00 -0.09 0.55 0.21 -0.31 0.00 0.00 175.10 175.46 1f91 s ASN 156 N -1.81 -1.15 0.16 4.85 2.47 -1.25 -1.32 114.94 116.89 1f91 s ASN 156 Ca 0.76 0.18 -0.25 0.00 0.42 0.00 0.00 52.86 53.98 1f91 s ASN 156 Cb -0.30 1.85 0.06 0.00 -1.45 0.00 0.00 41.25 41.41 1f91 s ASN 156 CO 0.39 -0.30 0.93 -0.72 -3.72 0.00 0.00 177.10 173.68 1f91 s TYR 157 N 2.77 -0.15 0.02 0.43 1.13 -1.17 -5.01 117.35 115.37 1f91 s TYR 157 Ca 0.12 -0.17 0.05 0.00 -1.41 0.00 0.00 57.07 55.66 1f91 s TYR 157 Cb -0.11 0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1f91 s TYR 157 CO -0.26 -0.86 -0.10 -1.12 -2.51 0.00 0.00 175.55 170.70 1f91 s SER 158 N -2.92 4.37 -0.10 -0.18 0.01 -1.26 -3.15 113.70 110.46 1f91 s SER 158 Ca 0.12 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.14 1f91 s SER 158 Cb -0.02 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 1f91 s SER 158 CO 0.02 0.27 -0.12 -0.63 0.41 0.00 0.00 173.24 173.19 1f91 s ILE 159 N -0.98 3.19 -0.06 1.44 1.01 -1.26 -4.97 121.20 119.56 1f91 s ILE 159 Ca 0.17 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1f91 s ILE 159 Cb -0.11 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1f91 s ILE 159 CO 0.07 0.55 -0.13 -0.55 0.00 0.00 0.00 174.94 174.88 1f91 s SER 160 N -0.05 1.86 -0.39 3.58 0.15 -1.26 -4.25 113.70 113.34 1f91 s SER 160 Ca -0.02 -0.31 0.10 0.00 0.70 0.00 0.00 55.95 56.42 1f91 s SER 160 Cb -0.14 -0.81 0.40 0.00 -1.71 0.00 0.00 66.02 63.76 1f91 s SER 160 CO 0.04 0.05 1.31 -1.54 1.20 0.00 0.00 173.24 174.30 1f91 n SER 161 N 3.70 -1.42 0.00 5.45 3.41 -1.26 -4.91 113.62 118.58 1f91 n SER 161 Ca -0.22 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1f91 n SER 161 Cb 0.52 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 1f91 n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f91 n ALA 162 N -0.57 0.00 0.40 7.33 0.00 -1.26 -1.23 120.51 125.18 1f91 n ALA 162 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1f91 n ALA 162 Cb 0.85 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.54 1f91 n ALA 162 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1f91 n SER 163 N 3.97 0.00 -0.40 0.00 7.64 -1.26 -2.26 113.62 121.31 1f91 n SER 163 Ca 0.00 0.44 0.11 0.00 1.01 0.00 0.00 58.87 60.43 1f91 n SER 163 Cb 0.00 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 62.74 1f91 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f91 n ALA 164 N -1.47 3.71 -0.18 -0.43 0.00 -0.37 -4.22 120.51 117.55 1f91 n ALA 164 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1f91 n ALA 164 Cb 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1f91 n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1f91 n THR 165 N -0.30 0.00 0.35 0.00 -1.04 -0.96 -1.20 114.28 111.13 1f91 n THR 165 Ca 0.09 1.00 0.06 0.00 -2.04 0.00 0.00 64.05 63.16 1f91 n THR 165 Cb 0.44 -1.37 0.25 0.00 -1.82 0.00 0.00 70.33 67.83 1f91 n THR 165 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1f91 n SER 166 N -2.26 0.06 0.08 8.00 3.41 -1.04 -1.79 113.62 120.07 1f91 n SER 166 Ca 0.00 0.52 -0.23 0.00 -0.26 0.00 0.00 58.87 58.90 1f91 n SER 166 Cb 0.00 -0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 63.27 1f91 n SER 166 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f91 h ALA 167 N 2.34 -0.01 -0.10 7.33 0.00 -1.41 -3.06 119.26 124.34 1f91 h ALA 167 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 1f91 h ALA 167 Cb 0.18 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1f91 h ALA 167 CO 0.00 0.70 -0.37 0.45 0.00 0.00 0.00 179.25 180.03 1f91 h HIS 168 N -0.09 0.23 -0.36 0.00 -0.00 -0.74 -1.55 115.15 112.64 1f91 h HIS 168 Ca -0.25 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.06 1f91 h HIS 168 Cb 1.94 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 29.27 1f91 h HIS 168 CO 0.14 0.55 0.22 0.00 -0.00 0.00 0.00 177.93 178.84 1f91 h ILE 170 N 0.47 1.23 -0.56 0.00 2.04 -1.39 -1.32 117.51 117.98 1f91 h ILE 170 Ca 0.13 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1f91 h ILE 170 Cb 0.02 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1f91 h ILE 170 CO -0.02 0.27 0.19 1.23 0.00 0.00 0.00 178.15 179.82 1f91 h GLY 171 N 0.52 0.88 1.96 5.37 0.00 -1.03 -1.14 103.07 109.63 1f91 h GLY 171 Ca 0.13 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1f91 h GLY 171 CO 0.00 0.44 -0.60 -0.57 0.00 0.00 0.00 176.54 175.81 1f91 h ASN 172 N 0.80 0.05 -0.37 0.19 -0.73 -0.42 -2.39 115.58 112.71 1f91 h ASN 172 Ca 0.19 -0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.26 1f91 h ASN 172 Cb 0.21 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1f91 h ASN 172 CO -0.01 0.64 -0.05 0.00 -0.37 0.00 0.00 177.43 177.64 1f91 h ALA 173 N 1.36 0.51 -0.53 1.57 0.00 -0.52 -1.69 119.26 119.96 1f91 h ALA 173 Ca -0.01 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1f91 h ALA 173 Cb 1.07 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1f91 h ALA 173 CO 0.08 0.32 0.24 0.28 0.00 0.00 0.00 179.25 180.17 1f91 h VAL 174 N 0.49 0.89 -0.80 0.00 2.07 -1.00 -2.07 116.25 115.84 1f91 h VAL 174 Ca 0.10 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1f91 h VAL 174 Cb 0.54 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1f91 h VAL 174 CO 0.03 0.08 0.44 -0.33 0.02 0.00 0.00 177.57 177.81 1f91 h GLU 175 N 0.45 1.12 -0.44 1.57 5.08 -1.19 0.77 114.58 121.94 1f91 h GLU 175 Ca 0.24 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1f91 h GLU 175 Cb 0.21 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1f91 h GLU 175 CO -0.20 0.83 0.25 1.96 -1.00 0.00 0.00 179.01 180.85 1f91 h GLN 176 N 1.12 0.59 0.12 2.33 1.08 -0.65 0.15 115.11 119.84 1f91 h GLN 176 Ca 0.28 -0.05 -0.26 0.00 -1.45 0.00 0.00 58.65 57.17 1f91 h GLN 176 Cb 0.04 -0.13 0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1f91 h GLN 176 CO -0.04 0.42 -1.11 0.82 -0.95 0.00 0.00 178.83 177.97 1f91 h ILE 177 N 0.60 1.34 -0.25 2.54 2.04 -0.81 -1.62 117.51 121.34 1f91 h ILE 177 Ca 0.16 -2.44 -0.03 0.00 1.00 0.00 0.00 64.86 63.55 1f91 h ILE 177 Cb -0.00 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1f91 h ILE 177 CO -0.03 0.73 0.03 1.56 0.00 0.00 0.00 178.15 180.44 1f91 h GLN 178 N 0.10 0.37 0.00 2.37 4.20 -0.38 0.56 115.11 122.33 1f91 h GLN 178 Ca -0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1f91 h GLN 178 Cb 1.81 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.53 1f91 h GLN 178 CO 0.21 0.37 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1f91 n LEU 179 N -4.36 0.00 -0.17 1.46 4.77 0.47 -3.62 117.00 115.54 1f91 n LEU 179 Ca 0.01 0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 56.40 1f91 n LEU 179 Cb 0.18 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1f91 n LEU 179 CO 0.37 -0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 176.91 1f91 n GLY 180 N 0.74 0.57 0.10 -0.72 0.00 0.19 -4.92 105.19 101.14 1f91 n GLY 180 Ca 0.07 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1f91 n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f91 h LYS 181 N 0.30 0.00 -4.31 1.61 1.57 -1.50 -3.48 116.57 110.76 1f91 h LYS 181 Ca -0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1f91 h LYS 181 Cb 0.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.35 1f91 h LYS 181 CO 0.07 0.49 -0.69 -0.65 -0.57 0.00 0.00 179.45 178.09 1f91 s GLN 182 N -2.85 0.60 -0.18 3.15 -1.52 -1.14 -4.76 119.66 112.96 1f91 s GLN 182 Ca -0.01 -1.11 0.09 0.00 -1.95 0.00 0.00 55.36 52.38 1f91 s GLN 182 Cb 0.08 0.07 -0.17 0.00 -0.22 0.00 0.00 33.01 32.77 1f91 s GLN 182 CO 0.80 -0.07 -0.05 -0.25 -0.25 0.00 0.00 175.29 175.47 1f91 n ASP 183 N 0.42 1.64 -3.96 5.90 8.00 0.12 -4.37 116.55 124.30 1f91 n ASP 183 Ca -0.16 -0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.14 1f91 n ASP 183 Cb 0.59 0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 41.90 1f91 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f91 s ILE 184 N -2.40 0.40 -0.07 0.53 1.01 -1.15 -0.99 121.20 118.53 1f91 s ILE 184 Ca -0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 1f91 s ILE 184 Cb 0.06 -0.35 0.04 0.00 0.01 0.00 0.00 42.46 42.22 1f91 s ILE 184 CO 0.58 0.05 0.13 -0.69 0.00 0.00 0.00 174.94 175.01 1f91 s VAL 185 N -0.26 -0.15 -0.18 2.92 1.01 0.03 -1.27 120.40 122.50 1f91 s VAL 185 Ca 0.00 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 1f91 s VAL 185 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1f91 s VAL 185 CO -0.00 0.12 0.86 -0.36 0.00 0.00 0.00 175.10 175.73 1f91 s PHE 186 N 1.79 3.41 0.01 5.22 0.40 0.06 -1.55 117.98 127.31 1f91 s PHE 186 Ca -0.02 1.29 0.06 0.00 -0.60 0.00 0.00 56.93 57.65 1f91 s PHE 186 Cb -0.12 -3.06 -0.02 0.00 0.51 0.00 0.00 43.02 40.34 1f91 s PHE 186 CO -0.05 -0.28 -0.17 0.00 0.70 0.00 0.00 175.22 175.42 1f91 s ALA 187 N 2.32 1.41 0.00 5.36 0.00 -0.42 -0.46 121.76 129.97 1f91 s ALA 187 Ca 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1f91 s ALA 187 Cb -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1f91 s ALA 187 CO 0.12 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1f91 n GLY 188 N 2.32 -0.67 0.00 0.00 0.00 -1.09 0.78 105.19 106.53 1f91 n GLY 188 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1f91 n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 189 N 0.00 -1.80 3.74 -0.02 0.00 -0.40 -2.61 105.19 104.10 1f91 n GLY 189 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1f91 n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f91 s GLY 190 N 0.00 -0.24 -0.18 -0.02 0.00 -0.86 -1.59 107.32 104.43 1f91 s GLY 190 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.56 1f91 s GLY 190 CO 0.00 -0.01 0.44 1.85 0.00 0.00 0.00 173.10 175.38 1f91 s GLU 191 N -3.82 0.44 0.74 2.90 2.56 -0.34 -4.15 118.70 117.04 1f91 s GLU 191 Ca 0.09 0.82 -0.11 0.00 0.00 0.00 0.00 54.97 55.76 1f91 s GLU 191 Cb -0.04 0.03 0.04 0.00 2.00 0.00 0.00 34.13 36.15 1f91 s GLU 191 CO 0.01 -0.15 1.09 -1.83 -0.56 0.00 0.00 175.26 173.83 1f91 s GLU 192 N 1.28 2.53 -0.18 4.30 -1.05 -1.26 -1.99 118.70 122.33 1f91 s GLU 192 Ca -0.08 0.60 0.01 0.00 -0.15 0.00 0.00 54.97 55.35 1f91 s GLU 192 Cb -0.07 -1.97 0.03 0.00 -0.44 0.00 0.00 34.13 31.68 1f91 s GLU 192 CO -0.12 -1.30 -0.14 -1.17 0.95 0.00 0.00 175.26 173.49 1f91 s LEU 193 N -5.57 2.13 0.12 1.83 2.96 -1.26 -4.73 118.68 114.16 1f91 s LEU 193 Ca 0.59 -0.73 -0.24 0.00 -0.22 0.00 0.00 54.13 53.52 1f91 s LEU 193 Cb -0.13 -1.29 0.07 0.00 0.50 0.00 0.00 46.19 45.34 1f91 s LEU 193 CO 0.53 -0.09 0.63 0.00 -1.32 0.00 0.00 176.35 176.11 1f91 h TRP 195 N 2.14 0.12 -0.92 0.00 5.08 -1.97 -1.14 115.95 119.27 1f91 h TRP 195 Ca -0.32 -0.04 0.18 0.00 1.08 0.00 0.00 58.89 59.79 1f91 h TRP 195 Cb 1.28 -0.02 -0.07 0.00 -3.00 0.00 0.00 29.16 27.34 1f91 h TRP 195 CO 0.25 0.60 0.59 0.93 -1.28 0.00 0.00 178.44 179.53 1f91 h GLU 196 N 0.08 0.54 0.05 0.12 3.07 -1.96 -0.30 114.58 116.18 1f91 h GLU 196 Ca -0.00 -0.03 -0.35 0.00 -0.50 0.00 0.00 59.36 58.48 1f91 h GLU 196 Cb 0.94 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.68 1f91 h GLU 196 CO 0.07 0.36 -1.99 -0.12 -1.40 0.00 0.00 179.01 175.93 1f91 n MET 197 N -4.57 0.66 -0.31 2.33 0.00 -1.14 -4.48 117.12 109.62 1f91 n MET 197 Ca 0.19 0.32 0.02 0.00 0.00 0.00 0.00 57.70 58.23 1f91 n MET 197 Cb 0.61 -1.65 0.15 0.00 0.00 0.00 0.00 33.22 32.33 1f91 n MET 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1f91 h ALA 198 N -0.27 1.20 -0.33 -5.12 0.00 -0.87 -2.08 119.26 111.78 1f91 h ALA 198 Ca -0.48 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1f91 h ALA 198 Cb 1.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1f91 h ALA 198 CO -0.11 0.22 0.25 0.00 0.00 0.00 0.00 179.25 179.60 1f91 h GLU 200 N 0.00 0.67 0.04 0.00 5.08 -1.60 0.44 114.58 119.21 1f91 h GLU 200 Ca 0.16 -0.20 -0.27 0.00 -1.00 0.00 0.00 59.36 58.04 1f91 h GLU 200 Cb 0.65 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.85 1f91 h GLU 200 CO -0.00 0.75 -1.10 0.74 -1.00 0.00 0.00 179.01 178.39 1f91 h PHE 201 N 0.61 0.96 -0.79 4.33 0.04 -1.24 -3.12 116.94 117.72 1f91 h PHE 201 Ca 0.11 -0.55 -0.04 0.00 2.80 0.00 0.00 57.97 60.29 1f91 h PHE 201 Cb 0.52 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 1f91 h PHE 201 CO 0.02 1.39 0.34 0.22 -0.60 0.00 0.00 178.31 179.69 1f91 h ASP 202 N 0.32 1.07 -0.08 2.17 1.82 -1.19 -1.39 116.42 119.14 1f91 h ASP 202 Ca -0.14 -0.15 0.02 0.00 -0.39 0.00 0.00 57.03 56.37 1f91 h ASP 202 Cb 1.76 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.49 1f91 h ASP 202 CO 0.21 0.93 0.07 0.00 -1.61 0.00 0.00 179.24 178.84 1f91 h ALA 203 N 1.23 1.83 -0.61 -0.78 0.00 -0.86 0.23 119.26 120.30 1f91 h ALA 203 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1f91 h ALA 203 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f91 h ALA 203 CO -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1f91 n MET 204 N -4.13 3.30 -2.17 0.00 0.00 -0.86 -4.95 117.12 108.30 1f91 n MET 204 Ca -0.01 -2.71 -0.15 0.00 0.00 0.00 0.00 57.70 54.83 1f91 n MET 204 Cb 0.17 -1.72 -0.01 0.00 0.00 0.00 0.00 33.22 31.66 1f91 n MET 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1f91 n GLY 205 N 1.08 -0.02 0.11 3.17 0.00 0.07 -4.94 105.19 104.66 1f91 n GLY 205 Ca 0.23 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1f91 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f91 h ALA 206 N 0.61 0.58 -2.64 4.61 0.00 -1.47 -3.48 119.26 117.47 1f91 h ALA 206 Ca -0.34 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 1f91 h ALA 206 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1f91 h ALA 206 CO 0.41 0.00 -0.27 -0.51 0.00 0.00 0.00 179.25 178.88 1f91 s LEU 207 N -5.14 4.23 0.20 0.00 1.43 -1.26 -1.57 118.68 116.57 1f91 s LEU 207 Ca 0.02 0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 1f91 s LEU 207 Cb 0.10 -3.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 1f91 s LEU 207 CO 0.76 0.00 1.46 -0.55 0.23 0.00 0.00 176.35 178.25 1f91 s SER 208 N -2.59 6.68 0.00 2.29 0.15 -0.31 -4.62 113.70 115.29 1f91 s SER 208 Ca 0.42 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.64 1f91 s SER 208 Cb -0.12 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1f91 s SER 208 CO 0.25 -0.72 0.00 0.35 1.20 0.00 0.00 173.24 174.33 1f91 n THR 209 N 3.10 0.00 1.16 6.45 -2.24 -1.26 -4.47 114.28 117.02 1f91 n THR 209 Ca 0.10 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1f91 n THR 209 Cb 0.40 0.99 0.46 0.00 -2.10 0.00 0.00 70.33 70.08 1f91 n THR 209 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f91 n LYS 210 N -0.39 0.34 -0.92 -0.78 5.02 -1.26 -4.22 118.16 115.95 1f91 n LYS 210 Ca 0.00 -0.15 -0.01 0.00 -2.02 0.00 0.00 58.31 56.13 1f91 n LYS 210 Cb 0.00 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.68 1f91 n LYS 210 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f91 n TYR 211 N -1.20 0.69 -0.08 2.13 4.02 -1.26 -4.76 117.16 116.69 1f91 n TYR 211 Ca 0.10 -1.67 0.01 0.00 -0.01 0.00 0.00 57.90 56.32 1f91 n TYR 211 Cb 0.32 -0.30 0.30 0.00 -0.02 0.00 0.00 39.34 39.64 1f91 n TYR 211 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1f91 h ASN 212 N 1.25 0.64 0.68 7.72 2.35 -1.92 -1.93 115.58 124.37 1f91 h ASN 212 Ca 0.10 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1f91 h ASN 212 Cb 1.17 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 1f91 h ASN 212 CO 0.20 0.55 -0.09 0.44 -1.65 0.00 0.00 177.43 176.88 1f91 h ASP 213 N 0.71 0.00 -2.41 5.81 3.32 -1.94 -3.30 116.42 118.61 1f91 h ASP 213 Ca 0.18 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.63 1f91 h ASP 213 Cb 0.09 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.24 1f91 h ASP 213 CO -0.02 0.09 -0.81 0.35 -1.72 0.00 0.00 179.24 177.13 1f91 n THR 214 N -3.32 0.53 -0.28 0.35 -2.24 -0.73 -5.00 114.28 103.58 1f91 n THR 214 Ca -0.01 -4.38 0.00 0.00 -2.27 0.00 0.00 64.05 57.39 1f91 n THR 214 Cb 0.29 -1.97 0.07 0.00 -2.10 0.00 0.00 70.33 66.62 1f91 n THR 214 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1f91 h PRO 215 N 4.80 -0.04 0.00 -0.78 0.11 -1.62 -1.73 132.00 132.74 1f91 h PRO 215 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1f91 h PRO 215 Cb 0.80 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1f91 h PRO 215 CO 0.60 -0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 1f91 n GLU 216 N -5.50 0.13 -0.00 1.05 1.02 -1.26 -1.78 120.64 114.29 1f91 n GLU 216 Ca 0.10 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.43 1f91 n GLU 216 Cb 0.40 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 1f91 n GLU 216 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f91 n LYS 217 N -1.22 -0.32 -0.13 3.49 5.02 -0.65 -4.70 118.16 119.64 1f91 n LYS 217 Ca 0.04 -0.77 -0.08 0.00 -2.02 0.00 0.00 58.31 55.47 1f91 n LYS 217 Cb 0.05 -1.08 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1f91 n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f91 h ALA 218 N 0.80 0.52 -2.06 7.82 0.00 -1.34 -3.38 119.26 121.62 1f91 h ALA 218 Ca 0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1f91 h ALA 218 Cb 0.18 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 1f91 h ALA 218 CO 0.00 0.05 0.34 0.45 0.00 0.00 0.00 179.25 180.09 1f91 s SER 219 N -5.71 6.41 -0.39 0.00 0.15 -1.26 -4.74 113.70 108.16 1f91 s SER 219 Ca -0.13 -0.11 0.11 0.00 0.70 0.00 0.00 55.95 56.52 1f91 s SER 219 Cb 0.10 -2.38 0.34 0.00 -1.71 0.00 0.00 66.02 62.38 1f91 s SER 219 CO 0.74 -0.90 0.74 -2.11 1.20 0.00 0.00 173.24 172.91 1f91 n ARG 220 N 6.68 1.20 -1.59 5.44 1.85 -1.26 -4.63 116.66 124.35 1f91 n ARG 220 Ca 0.02 -3.53 -0.56 0.00 -1.00 0.00 0.00 57.85 52.78 1f91 n ARG 220 Cb 0.48 -1.75 -0.07 0.00 -1.05 0.00 0.00 32.46 30.07 1f91 n ARG 220 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1f91 n THR 221 N 0.27 0.04 0.00 8.89 -1.04 -1.26 -1.01 114.28 120.16 1f91 n THR 221 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1f91 n THR 221 Cb 0.63 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1f91 n THR 221 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1f91 n TYR 222 N 2.62 0.00 -2.26 -1.42 4.01 -1.26 -4.76 117.16 114.08 1f91 n TYR 222 Ca 0.21 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.57 1f91 n TYR 222 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1f91 n TYR 222 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1f91 s ASP 223 N -2.61 6.30 0.59 7.72 2.15 -0.18 -1.01 116.67 129.62 1f91 s ASP 223 Ca 0.00 2.34 0.39 0.00 0.43 0.00 0.00 52.55 55.71 1f91 s ASP 223 Cb 0.00 -2.61 2.04 0.00 -0.30 0.00 0.00 42.92 42.06 1f91 s ASP 223 CO 0.00 -0.83 2.20 0.00 -0.17 0.00 0.00 175.17 176.37 1f91 h ALA 224 N 2.28 1.00 -0.40 3.66 0.00 -0.99 -2.76 119.26 122.05 1f91 h ALA 224 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1f91 h ALA 224 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1f91 h ALA 224 CO 0.61 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.58 1f91 n HIS 225 N -2.96 1.01 -1.73 0.00 8.25 -1.26 -5.00 115.22 113.52 1f91 n HIS 225 Ca -0.02 -0.70 -0.38 0.00 -0.26 0.00 0.00 57.72 56.37 1f91 n HIS 225 Cb 0.12 -0.23 0.06 0.00 1.12 0.00 0.00 29.99 31.06 1f91 n HIS 225 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1f91 n ARG 226 N 0.24 1.36 -1.66 -0.41 1.85 -1.04 -4.95 116.66 112.05 1f91 n ARG 226 Ca 0.20 0.52 0.03 0.00 -1.00 0.00 0.00 57.85 57.60 1f91 n ARG 226 Cb 0.78 -2.53 0.03 0.00 -1.05 0.00 0.00 32.46 29.69 1f91 n ARG 226 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1f91 n ASP 227 N -1.42 1.15 0.00 2.89 5.75 -1.26 -4.67 116.55 118.99 1f91 n ASP 227 Ca 0.13 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1f91 n ASP 227 Cb 0.46 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1f91 n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f91 n GLY 228 N 0.25 2.68 3.93 6.12 0.00 -0.92 -3.89 105.19 113.36 1f91 n GLY 228 Ca 0.07 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 1f91 n GLY 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f91 s PHE 229 N -1.97 3.37 -0.29 1.61 -0.12 -0.61 -3.91 117.98 116.05 1f91 s PHE 229 Ca 0.00 0.52 -0.08 0.00 -0.05 0.00 0.00 56.93 57.32 1f91 s PHE 229 Cb 0.00 -2.36 -0.00 0.00 -0.63 0.00 0.00 43.02 40.02 1f91 s PHE 229 CO 0.00 -0.39 0.10 0.08 -0.05 0.00 0.00 175.22 174.96 1f91 s VAL 230 N -2.69 4.25 0.41 -2.49 1.01 -1.26 -1.17 120.40 118.47 1f91 s VAL 230 Ca 0.48 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1f91 s VAL 230 Cb -0.10 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 1f91 s VAL 230 CO 0.41 0.14 1.21 -0.51 0.00 0.00 0.00 175.10 176.35 1f91 s ILE 231 N 1.56 2.97 0.25 2.22 2.07 -1.26 0.35 121.20 129.37 1f91 s ILE 231 Ca 0.04 0.82 -0.04 0.00 -1.41 0.00 0.00 60.65 60.06 1f91 s ILE 231 Cb -0.17 -3.46 -0.02 0.00 0.13 0.00 0.00 42.46 38.95 1f91 s ILE 231 CO 0.04 0.07 0.31 0.00 -1.91 0.00 0.00 174.94 173.45 1f91 s ALA 232 N -1.39 0.75 0.10 1.50 0.00 0.07 -1.00 121.76 121.80 1f91 s ALA 232 Ca 0.58 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1f91 s ALA 232 Cb -0.33 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1f91 s ALA 232 CO 0.41 -0.71 0.07 0.41 0.00 0.00 0.00 175.76 175.93 1f91 n GLY 233 N -0.39 3.77 0.00 0.00 0.00 -0.67 -4.09 105.19 103.80 1f91 n GLY 233 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1f91 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 234 N 0.34 0.67 3.45 -0.02 0.00 -0.84 -4.37 105.19 104.41 1f91 n GLY 234 Ca 0.01 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1f91 n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f91 s GLY 235 N 0.00 0.47 0.09 -0.02 0.00 0.16 -1.20 107.32 106.82 1f91 s GLY 235 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 44.72 43.66 1f91 s GLY 235 CO 0.00 -0.70 0.57 -0.32 0.00 0.00 0.00 173.10 172.65 1f91 s GLY 236 N -2.98 -0.53 -0.27 0.20 0.00 -0.62 -1.25 107.32 101.86 1f91 s GLY 236 Ca 0.19 0.60 -0.22 0.00 0.00 0.00 0.00 44.72 45.29 1f91 s GLY 236 CO 0.04 0.28 0.73 -0.29 0.00 0.00 0.00 173.10 173.86 1f91 s MET 237 N -3.02 0.77 0.16 2.90 1.75 -0.68 -1.27 119.30 119.90 1f91 s MET 237 Ca -0.02 1.05 0.07 0.00 -1.25 0.00 0.00 55.69 55.54 1f91 s MET 237 Cb -0.00 0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.93 1f91 s MET 237 CO -0.06 -0.11 -0.16 0.14 -0.65 0.00 0.00 175.02 174.18 1f91 s VAL 238 N 0.80 1.60 -0.45 10.11 -7.23 0.23 -1.11 120.40 124.36 1f91 s VAL 238 Ca -0.03 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1f91 s VAL 238 Cb -0.05 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.16 1f91 s VAL 238 CO -0.06 -0.43 0.39 -0.69 -0.31 0.00 0.00 175.10 173.99 1f91 s VAL 239 N -2.33 5.20 -0.24 1.32 1.01 -0.28 -1.30 120.40 123.78 1f91 s VAL 239 Ca 0.15 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1f91 s VAL 239 Cb -0.04 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1f91 s VAL 239 CO 0.05 -0.49 0.44 -0.69 0.00 0.00 0.00 175.10 174.42 1f91 s VAL 240 N 1.79 5.14 0.07 2.92 1.01 -0.59 -1.52 120.40 129.21 1f91 s VAL 240 Ca 0.06 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1f91 s VAL 240 Cb -0.21 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1f91 s VAL 240 CO 0.09 0.17 -0.09 -0.70 0.00 0.00 0.00 175.10 174.57 1f91 s GLU 241 N 1.84 0.69 0.15 2.72 2.12 0.52 -0.79 118.70 125.95 1f91 s GLU 241 Ca 0.19 -0.96 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1f91 s GLU 241 Cb -0.15 -0.43 -0.07 0.00 0.26 0.00 0.00 34.13 33.73 1f91 s GLU 241 CO 0.09 0.07 1.16 -2.00 -0.54 0.00 0.00 175.26 174.05 1f91 s GLU 242 N -2.16 4.51 0.11 4.30 -6.30 -0.16 -0.89 118.70 118.10 1f91 s GLU 242 Ca -0.02 1.79 -0.30 0.00 -2.50 0.00 0.00 54.97 53.94 1f91 s GLU 242 Cb -0.06 -3.28 -0.11 0.00 0.00 0.00 0.00 34.13 30.67 1f91 s GLU 242 CO 0.00 -0.08 1.50 1.25 0.02 0.00 0.00 175.26 177.95 1f91 h LEU 243 N 5.62 -1.59 -1.01 2.70 5.85 -1.71 -1.39 115.31 123.78 1f91 h LEU 243 Ca -0.44 0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1f91 h LEU 243 Cb 1.21 0.63 -0.08 0.00 0.37 0.00 0.00 40.66 42.80 1f91 h LEU 243 CO 0.76 -0.42 0.64 -0.33 -0.34 0.00 0.00 178.44 178.75 1f91 h GLU 244 N -0.49 1.04 -0.40 1.25 4.39 -1.93 -0.27 114.58 118.17 1f91 h GLU 244 Ca 0.04 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1f91 h GLU 244 Cb 0.60 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1f91 h GLU 244 CO -0.43 0.69 0.07 1.25 -1.16 0.00 0.00 179.01 179.43 1f91 h HIS 245 N 1.07 0.61 -0.04 4.33 2.76 -1.85 -0.78 115.15 121.26 1f91 h HIS 245 Ca 0.47 -0.05 -0.24 0.00 -2.20 0.00 0.00 60.37 58.35 1f91 h HIS 245 Cb 0.36 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.15 1f91 h HIS 245 CO -0.00 0.55 -0.95 0.00 -1.30 0.00 0.00 177.93 176.23 1f91 h ALA 246 N 1.50 0.25 -0.38 5.26 0.00 -0.04 -3.23 119.26 122.63 1f91 h ALA 246 Ca 0.13 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1f91 h ALA 246 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1f91 h ALA 246 CO 0.00 0.72 -0.04 -0.07 0.00 0.00 0.00 179.25 179.86 1f91 h LEU 247 N 0.38 0.69 -2.23 0.00 3.38 -0.90 -1.42 115.31 115.21 1f91 h LEU 247 Ca -0.10 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1f91 h LEU 247 Cb 1.59 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1f91 h LEU 247 CO 0.18 0.87 0.26 0.00 0.09 0.00 0.00 178.44 179.84 1f91 h ALA 248 N 0.85 1.40 -0.15 1.53 0.00 -1.17 0.44 119.26 122.16 1f91 h ALA 248 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f91 h ALA 248 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1f91 h ALA 248 CO 0.03 -0.29 0.00 2.89 0.00 0.00 0.00 179.25 181.88 1f91 n ARG 249 N -3.12 2.39 -3.80 0.00 1.85 -1.12 -4.98 116.66 107.89 1f91 n ARG 249 Ca -0.01 -2.41 -0.28 0.00 -1.00 0.00 0.00 57.85 54.16 1f91 n ARG 249 Cb 0.33 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.29 1f91 n ARG 249 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1f91 n GLY 250 N -0.64 -0.51 3.80 2.89 0.00 0.15 -4.96 105.19 105.92 1f91 n GLY 250 Ca 0.15 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 1f91 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f91 s ALA 251 N -3.32 2.64 -0.15 4.61 0.00 -0.55 -5.00 121.76 119.99 1f91 s ALA 251 Ca 0.61 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 52.64 1f91 s ALA 251 Cb -0.29 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1f91 s ALA 251 CO 0.79 -1.08 0.72 -1.58 0.00 0.00 0.00 175.76 174.61 1f91 s HIS 252 N -2.66 3.45 -0.28 0.00 5.65 -1.26 -4.88 115.29 115.31 1f91 s HIS 252 Ca 0.62 1.14 -0.08 0.00 0.25 0.00 0.00 55.06 56.99 1f91 s HIS 252 Cb -0.16 -2.88 -0.02 0.00 -1.18 0.00 0.00 32.58 28.35 1f91 s HIS 252 CO 0.45 -0.12 0.10 0.42 -0.65 0.00 0.00 174.74 174.93 1f91 s ILE 253 N 1.67 4.33 0.06 0.89 1.01 -1.26 -4.37 121.20 123.52 1f91 s ILE 253 Ca 0.35 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1f91 s ILE 253 Cb -0.17 -3.12 -0.21 0.00 0.01 0.00 0.00 42.46 38.98 1f91 s ILE 253 CO 0.13 0.21 1.19 1.88 0.00 0.00 0.00 174.94 178.36 1f91 h TYR 254 N 8.27 0.88 -1.15 3.97 0.05 -1.67 -3.47 116.97 123.84 1f91 h TYR 254 Ca -0.35 -0.45 0.35 0.00 0.05 0.00 0.00 58.73 58.33 1f91 h TYR 254 Cb 1.16 -0.11 -0.16 0.00 1.01 0.00 0.00 36.73 38.63 1f91 h TYR 254 CO 0.65 1.27 0.94 0.00 -1.05 0.00 0.00 178.16 179.97 1f91 s ALA 255 N -3.42 -2.34 -0.10 3.88 0.00 -1.25 -4.72 121.76 113.82 1f91 s ALA 255 Ca -0.11 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 1f91 s ALA 255 Cb 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1f91 s ALA 255 CO 0.88 -0.89 0.10 -2.00 0.00 0.00 0.00 175.76 173.85 1f91 s GLU 256 N -2.14 3.28 -0.46 0.00 2.12 0.25 -1.32 118.70 120.42 1f91 s GLU 256 Ca 0.13 -0.24 -0.22 0.00 0.36 0.00 0.00 54.97 55.00 1f91 s GLU 256 Cb 0.04 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.41 1f91 s GLU 256 CO -0.05 0.74 0.73 0.42 -0.54 0.00 0.00 175.26 176.57 1f91 s ILE 257 N -1.01 4.71 -1.45 -3.70 1.01 -0.17 -0.90 121.20 119.69 1f91 s ILE 257 Ca 0.16 0.19 0.20 0.00 0.00 0.00 0.00 60.65 61.19 1f91 s ILE 257 Cb -0.12 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 1f91 s ILE 257 CO 0.05 -0.73 0.92 1.33 0.00 0.00 0.00 174.94 176.51 1f91 n VAL 258 N 5.98 0.00 -3.69 2.92 0.24 -0.36 -4.55 118.33 118.87 1f91 n VAL 258 Ca -0.00 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1f91 n VAL 258 Cb 0.48 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 33.90 1f91 n VAL 258 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f91 s GLY 259 N -2.49 -0.41 -0.17 7.63 0.00 -1.01 -4.80 107.32 106.08 1f91 s GLY 259 Ca 0.13 1.56 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 1f91 s GLY 259 CO 0.62 1.38 0.27 -0.47 0.00 0.00 0.00 173.10 174.90 1f91 s TYR 260 N 0.40 -0.44 0.01 1.90 5.04 -1.26 -0.53 117.35 122.48 1f91 s TYR 260 Ca -0.01 0.75 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1f91 s TYR 260 Cb -0.04 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.12 1f91 s TYR 260 CO -0.01 -0.47 -0.10 0.20 -1.34 0.00 0.00 175.55 173.83 1f91 s GLY 261 N 2.41 1.69 -0.21 8.97 0.00 0.10 -4.52 107.32 115.77 1f91 s GLY 261 Ca 0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 1f91 s GLY 261 CO -0.11 -0.94 0.23 0.00 0.00 0.00 0.00 173.10 172.28 1f91 s ALA 262 N -0.97 -0.31 0.38 3.20 0.00 -1.26 -1.43 121.76 121.37 1f91 s ALA 262 Ca 0.16 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1f91 s ALA 262 Cb -0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1f91 s ALA 262 CO 0.07 -1.21 0.17 0.95 0.00 0.00 0.00 175.76 175.73 1f91 s THR 263 N 2.34 0.43 0.01 0.00 -4.23 -0.87 -4.99 115.64 108.32 1f91 s THR 263 Ca 0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1f91 s THR 263 Cb -0.16 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1f91 s THR 263 CO -0.12 0.00 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.32 1f91 s SER 264 N -3.52 1.01 -0.01 3.99 0.15 -1.26 -0.92 113.70 113.14 1f91 s SER 264 Ca 0.29 -0.28 -0.20 0.00 0.70 0.00 0.00 55.95 56.46 1f91 s SER 264 Cb 0.03 -0.07 -0.30 0.00 -1.71 0.00 0.00 66.02 63.97 1f91 s SER 264 CO 0.18 0.02 0.98 0.44 1.20 0.00 0.00 173.24 176.06 1f91 h ASP 265 N 5.46 0.58 -4.84 5.45 3.32 -0.74 -3.44 116.42 122.21 1f91 h ASP 265 Ca -0.32 -0.89 -0.39 0.00 0.02 0.00 0.00 57.03 55.44 1f91 h ASP 265 Cb 1.19 -0.19 0.09 0.00 0.22 0.00 0.00 39.33 40.64 1f91 h ASP 265 CO 0.47 1.42 -0.62 0.61 -1.72 0.00 0.00 179.24 179.40 1f91 n GLY 266 N 1.50 -0.49 0.00 2.75 0.00 -1.26 -4.88 105.19 102.81 1f91 n GLY 266 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1f91 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f91 n ALA 267 N -4.03 1.47 -2.77 4.61 0.00 -1.26 -5.12 120.51 113.41 1f91 n ALA 267 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1f91 n ALA 267 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1f91 n ALA 267 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f91 s ASP 268 N 1.00 5.55 0.18 0.00 2.15 -1.26 -5.03 116.67 119.27 1f91 s ASP 268 Ca 0.00 0.05 -0.04 0.00 0.43 0.00 0.00 52.55 52.99 1f91 s ASP 268 Cb 0.00 -1.53 0.09 0.00 -0.30 0.00 0.00 42.92 41.18 1f91 s ASP 268 CO 0.00 0.22 1.50 -0.03 -0.17 0.00 0.00 175.17 176.69 1f91 h MET 269 N 3.70 0.59 0.00 4.34 -1.53 -1.99 -3.33 114.93 116.71 1f91 h MET 269 Ca -0.48 -0.37 -0.04 0.00 -3.44 0.00 0.00 59.70 55.37 1f91 h MET 269 Cb 1.17 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 32.25 1f91 h MET 269 CO 0.64 0.98 -1.26 0.28 0.14 0.00 0.00 176.91 177.69 1f91 n VAL 270 N -3.97 0.17 -4.56 -5.77 0.31 -1.26 -0.46 118.33 102.79 1f91 n VAL 270 Ca -0.03 -0.15 -0.34 0.00 -0.01 0.00 0.00 64.34 63.81 1f91 n VAL 270 Cb 0.60 -0.32 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 1f91 n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f91 s ALA 271 N -2.20 3.00 0.60 3.52 0.00 -1.26 -4.80 121.76 120.61 1f91 s ALA 271 Ca -0.02 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1f91 s ALA 271 Cb 0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1f91 s ALA 271 CO 0.19 0.49 1.21 -1.25 0.00 0.00 0.00 175.76 176.40 1f91 s PRO 272 N -0.54 2.92 0.16 0.00 0.04 -1.26 -4.23 135.00 132.09 1f91 s PRO 272 Ca 0.08 1.83 0.21 0.00 0.04 0.00 0.00 61.00 63.17 1f91 s PRO 272 Cb -0.12 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1f91 s PRO 272 CO 0.02 -1.25 0.96 -1.13 0.04 0.00 0.00 177.00 175.65 1f91 n SER 273 N -1.65 0.81 0.00 6.66 3.41 -1.26 -4.97 113.62 116.62 1f91 n SER 273 Ca 0.14 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1f91 n SER 273 Cb 0.50 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1f91 n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f91 n GLY 274 N 1.24 2.47 0.29 5.00 0.00 -1.26 -4.76 105.19 108.17 1f91 n GLY 274 Ca -0.03 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1f91 n GLY 274 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1f91 h GLU 275 N 0.00 0.68 -0.50 1.61 4.22 -1.93 -1.58 114.58 117.08 1f91 h GLU 275 Ca 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.34 1f91 h GLU 275 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1f91 h GLU 275 CO 0.00 0.45 0.09 0.78 -2.18 0.00 0.00 179.01 178.15 1f91 h GLY 276 N 0.70 0.84 1.02 1.92 0.00 -1.85 -2.27 103.07 103.43 1f91 h GLY 276 Ca 0.38 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1f91 h GLY 276 CO -0.26 0.47 0.15 0.00 0.00 0.00 0.00 176.54 176.90 1f91 h ALA 277 N 1.35 0.79 0.39 3.60 0.00 -1.71 -1.17 119.26 122.51 1f91 h ALA 277 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1f91 h ALA 277 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1f91 h ALA 277 CO 0.00 0.50 -0.30 0.28 0.00 0.00 0.00 179.25 179.73 1f91 h VAL 278 N 0.87 0.38 -0.70 0.00 2.07 -0.93 -0.62 116.25 117.32 1f91 h VAL 278 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1f91 h VAL 278 Cb 0.35 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1f91 h VAL 278 CO 0.00 0.00 0.46 0.03 0.02 0.00 0.00 177.57 178.08 1f91 h ARG 279 N -0.69 0.70 -0.19 1.57 3.08 -1.31 -1.61 114.38 115.93 1f91 h ARG 279 Ca -0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1f91 h ARG 279 Cb 0.59 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1f91 h ARG 279 CO -0.00 0.47 -0.04 0.00 -1.07 0.00 0.00 179.97 179.32 1f91 h MET 281 N 0.08 0.88 -0.47 0.00 2.86 -0.76 -2.20 114.93 115.32 1f91 h MET 281 Ca 0.05 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1f91 h MET 281 Cb 0.49 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1f91 h MET 281 CO 0.02 0.86 0.10 0.87 1.06 0.00 0.00 176.91 179.82 1f91 h LYS 282 N 0.77 0.72 -0.48 1.72 1.57 -1.30 -1.74 116.57 117.82 1f91 h LYS 282 Ca 0.16 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1f91 h LYS 282 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1f91 h LYS 282 CO 0.01 0.66 0.03 1.98 -0.57 0.00 0.00 179.45 181.56 1f91 h MET 283 N 0.69 0.83 0.00 3.15 4.05 -1.00 -2.12 114.93 120.54 1f91 h MET 283 Ca 0.15 -0.25 -0.08 0.00 -0.28 0.00 0.00 59.70 59.24 1f91 h MET 283 Cb 0.28 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1f91 h MET 283 CO -0.00 0.86 -0.40 0.00 0.23 0.00 0.00 176.91 177.60 1f91 h ALA 284 N 0.94 1.25 0.00 0.39 0.00 -1.13 -3.00 119.26 117.71 1f91 h ALA 284 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1f91 h ALA 284 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1f91 h ALA 284 CO 0.02 0.50 -0.25 0.52 0.00 0.00 0.00 179.25 180.04 1f91 h MET 285 N 0.00 0.00 -6.30 0.00 2.07 -1.04 -3.37 114.93 106.29 1f91 h MET 285 Ca -0.00 0.00 -0.59 0.00 -2.07 0.00 0.00 59.70 57.03 1f91 h MET 285 Cb 0.75 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.50 1f91 h MET 285 CO 0.05 0.00 1.13 1.58 1.07 0.00 0.00 176.91 180.75 1f91 n HIS 286 N -2.66 2.38 -0.03 -0.22 -0.00 -0.82 -0.74 115.22 113.13 1f91 n HIS 286 Ca 0.04 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1f91 n HIS 286 Cb 0.49 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.66 1f91 n HIS 286 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1f91 n GLY 287 N 4.44 0.81 3.51 1.57 0.00 -1.26 -4.97 105.19 109.29 1f91 n GLY 287 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1f91 n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f91 s VAL 288 N -2.31 4.60 -0.29 1.61 1.01 0.08 -4.91 120.40 120.18 1f91 s VAL 288 Ca 0.00 0.14 0.26 0.00 0.00 0.00 0.00 61.98 62.38 1f91 s VAL 288 Cb 0.00 -4.40 0.35 0.00 0.00 0.00 0.00 36.38 32.32 1f91 s VAL 288 CO 0.00 -0.90 1.71 -2.24 0.00 0.00 0.00 175.10 173.66 1f91 h ASP 289 N 9.12 0.00 -3.25 3.32 -0.00 -1.95 -3.45 116.42 120.20 1f91 h ASP 289 Ca -0.26 0.00 -0.50 0.00 -0.00 0.00 0.00 57.03 56.27 1f91 h ASP 289 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 1f91 h ASP 289 CO 1.01 0.01 -0.07 0.42 -0.00 0.00 0.00 179.24 180.61 1f91 s THR 290 N -3.33 4.99 0.60 1.15 -4.23 -1.26 -5.08 115.64 108.49 1f91 s THR 290 Ca 0.05 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1f91 s THR 290 Cb 0.06 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 1f91 s THR 290 CO 0.64 -0.50 1.02 -2.16 -0.54 0.00 0.00 174.62 173.08 1f91 s PRO 291 N -3.98 3.65 -0.30 3.99 0.04 -1.26 -5.01 135.00 132.14 1f91 s PRO 291 Ca 0.45 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 1f91 s PRO 291 Cb -0.10 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1f91 s PRO 291 CO 0.34 -0.53 1.00 0.42 0.04 0.00 0.00 177.00 178.27 1f91 s ILE 292 N -3.10 4.61 -0.01 0.56 -1.09 -1.26 -4.51 121.20 116.40 1f91 s ILE 292 Ca 0.56 1.65 -0.13 0.00 -2.23 0.00 0.00 60.65 60.50 1f91 s ILE 292 Cb -0.11 -4.33 -0.33 0.00 -1.58 0.00 0.00 42.46 36.11 1f91 s ILE 292 CO 0.51 -0.36 0.82 0.44 -1.23 0.00 0.00 174.94 175.12 1f91 h ASP 293 N 7.98 0.73 -4.08 3.58 3.32 -1.44 -3.42 116.42 123.09 1f91 h ASP 293 Ca -0.21 -0.92 -0.27 0.00 0.02 0.00 0.00 57.03 55.64 1f91 h ASP 293 Cb 1.07 -0.24 -0.27 0.00 0.22 0.00 0.00 39.33 40.12 1f91 h ASP 293 CO 0.98 1.75 -0.74 -0.47 -1.72 0.00 0.00 179.24 179.05 1f91 s TYR 294 N -2.59 0.34 -0.23 4.55 5.04 -1.16 -1.87 117.35 121.43 1f91 s TYR 294 Ca -0.13 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1f91 s TYR 294 Cb 0.05 -0.21 0.06 0.00 0.35 0.00 0.00 41.96 42.20 1f91 s TYR 294 CO 0.90 -0.03 -0.05 -1.17 -1.34 0.00 0.00 175.55 173.86 1f91 s LEU 295 N -0.43 2.40 -0.68 6.97 0.20 0.72 -0.92 118.68 126.94 1f91 s LEU 295 Ca -0.02 -1.12 -0.23 0.00 0.69 0.00 0.00 54.13 53.45 1f91 s LEU 295 Cb -0.03 -1.12 0.07 0.00 -0.43 0.00 0.00 46.19 44.68 1f91 s LEU 295 CO -0.00 -0.24 1.01 0.21 -0.29 0.00 0.00 176.35 177.04 1f91 s ASN 296 N 1.44 6.19 0.91 3.68 3.84 0.67 -3.18 114.94 128.51 1f91 s ASN 296 Ca -0.05 -0.98 -0.12 0.00 0.21 0.00 0.00 52.86 51.92 1f91 s ASN 296 Cb -0.18 -2.44 0.14 0.00 -0.55 0.00 0.00 41.25 38.22 1f91 s ASN 296 CO -0.06 -1.47 1.09 -0.94 -2.79 0.00 0.00 177.10 172.92 1f91 s SER 297 N 3.71 3.32 0.04 -4.21 1.04 -1.19 -2.08 113.70 114.32 1f91 s SER 297 Ca 0.24 1.47 -0.20 0.00 0.48 0.00 0.00 55.95 57.95 1f91 s SER 297 Cb -0.15 -2.15 -0.16 0.00 0.10 0.00 0.00 66.02 63.66 1f91 s SER 297 CO 0.10 -2.74 1.28 -0.74 0.98 0.00 0.00 173.24 172.13 1f91 h HIS 298 N -1.62 0.53 -1.09 5.02 2.76 -1.93 -3.43 115.15 115.39 1f91 h HIS 298 Ca -0.50 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.48 1f91 h HIS 298 Cb 1.29 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1f91 h HIS 298 CO 0.41 0.89 0.00 0.41 -1.30 0.00 0.00 177.93 178.34 1f91 n GLY 299 N 0.43 0.00 0.07 5.26 0.00 -1.26 -4.83 105.19 104.85 1f91 n GLY 299 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1f91 n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1f91 n THR 300 N 0.18 0.00 -2.23 2.61 -2.24 -1.26 -4.56 114.28 106.78 1f91 n THR 300 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1f91 n THR 300 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1f91 n THR 300 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f91 n SER 301 N -1.18 -1.65 -4.65 3.42 2.88 -1.26 -4.03 113.62 107.15 1f91 n SER 301 Ca 0.11 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 1f91 n SER 301 Cb 0.30 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.21 1f91 n SER 301 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1f91 s THR 302 N -2.71 3.75 0.12 2.46 -4.23 -1.26 -2.17 115.64 111.60 1f91 s THR 302 Ca 0.00 -1.21 -0.29 0.00 -1.18 0.00 0.00 61.69 59.01 1f91 s THR 302 Cb 0.00 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1f91 s THR 302 CO 0.00 0.04 1.60 -0.65 -0.54 0.00 0.00 174.62 175.07 1f91 h PRO 303 N 3.22 -0.56 0.04 3.99 0.11 -1.93 -2.62 132.00 134.24 1f91 h PRO 303 Ca -0.48 0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1f91 h PRO 303 Cb 1.18 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1f91 h PRO 303 CO 0.57 -0.37 -0.02 0.28 -0.21 0.00 0.00 178.00 178.25 1f91 h VAL 304 N -0.58 1.37 -0.11 3.15 2.07 -1.99 -3.34 116.25 116.82 1f91 h VAL 304 Ca 0.04 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 65.97 1f91 h VAL 304 Cb 0.63 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 1f91 h VAL 304 CO -0.24 0.39 -0.40 1.23 0.02 0.00 0.00 177.57 178.57 1f91 h GLY 305 N -0.80 -0.65 -0.07 2.17 0.00 -1.96 -2.08 103.07 99.67 1f91 h GLY 305 Ca -0.01 0.49 0.17 0.00 0.00 0.00 0.00 47.33 47.98 1f91 h GLY 305 CO 0.01 -0.23 0.25 -0.55 0.00 0.00 0.00 176.54 176.02 1f91 h ASP 306 N -0.48 0.13 0.10 0.19 5.19 -1.64 -2.45 116.42 117.46 1f91 h ASP 306 Ca 0.08 0.14 -0.22 0.00 -0.62 0.00 0.00 57.03 56.41 1f91 h ASP 306 Cb 0.61 0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.30 1f91 h ASP 306 CO -0.37 -0.01 -0.86 -0.37 -3.12 0.00 0.00 179.24 174.52 1f91 h VAL 307 N 0.33 1.33 -0.53 -1.35 -1.51 -1.60 -2.42 116.25 110.50 1f91 h VAL 307 Ca 0.45 -2.18 0.06 0.00 -1.23 0.00 0.00 66.70 63.80 1f91 h VAL 307 Cb 0.78 2.19 -0.05 0.00 -2.13 0.00 0.00 31.29 32.08 1f91 h VAL 307 CO -0.50 0.67 0.25 0.11 -1.23 0.00 0.00 177.57 176.87 1f91 h LYS 308 N 0.37 0.47 -0.60 5.19 1.79 -0.94 0.64 116.57 123.49 1f91 h LYS 308 Ca -0.07 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.28 1f91 h LYS 308 Cb 1.48 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.00 1f91 h LYS 308 CO 0.16 0.31 0.02 1.49 -1.08 0.00 0.00 179.45 180.35 1f91 h GLU 309 N 0.48 1.04 -0.91 3.15 4.81 -1.48 -1.20 114.58 120.47 1f91 h GLU 309 Ca 0.24 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1f91 h GLU 309 Cb 0.19 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1f91 h GLU 309 CO -0.19 1.01 0.56 -0.07 -0.73 0.00 0.00 179.01 179.59 1f91 h LEU 310 N 0.94 1.09 -0.60 1.64 3.38 -0.83 0.22 115.31 121.15 1f91 h LEU 310 Ca 0.17 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1f91 h LEU 310 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1f91 h LEU 310 CO 0.03 0.83 0.09 0.00 0.09 0.00 0.00 178.44 179.47 1f91 h ALA 311 N 1.31 0.80 -0.52 1.53 0.00 -0.61 -1.34 119.26 120.43 1f91 h ALA 311 Ca 0.33 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1f91 h ALA 311 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1f91 h ALA 311 CO -0.06 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.90 1f91 h ALA 312 N 1.01 0.69 -0.39 0.00 0.00 -0.43 0.14 119.26 120.28 1f91 h ALA 312 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1f91 h ALA 312 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1f91 h ALA 312 CO 0.01 0.37 0.21 0.82 0.00 0.00 0.00 179.25 180.67 1f91 h ILE 313 N 0.73 1.15 -0.77 0.00 2.04 -0.38 -0.96 117.51 119.32 1f91 h ILE 313 Ca 0.17 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1f91 h ILE 313 Cb 0.31 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1f91 h ILE 313 CO -0.00 0.16 0.38 -0.09 0.00 0.00 0.00 178.15 178.59 1f91 h ARG 314 N 0.50 1.10 -0.74 2.37 2.43 -1.05 0.12 114.38 119.11 1f91 h ARG 314 Ca 0.14 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1f91 h ARG 314 Cb 0.06 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1f91 h ARG 314 CO -0.02 0.84 0.49 0.93 -1.51 0.00 0.00 179.97 180.70 1f91 h GLU 315 N 1.07 0.96 0.19 0.20 4.39 -0.44 0.91 114.58 121.86 1f91 h GLU 315 Ca 0.26 -0.06 -0.32 0.00 0.34 0.00 0.00 59.36 59.59 1f91 h GLU 315 Cb 0.10 -0.22 0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1f91 h GLU 315 CO -0.04 0.63 -1.47 0.28 -1.16 0.00 0.00 179.01 177.26 1f91 h VAL 316 N 0.98 1.27 -0.00 3.13 2.07 -0.46 -3.39 116.25 119.86 1f91 h VAL 316 Ca 0.27 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1f91 h VAL 316 Cb -0.09 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1f91 h VAL 316 CO -0.06 0.84 -0.48 0.49 0.02 0.00 0.00 177.57 178.37 1f91 n PHE 317 N -3.61 0.00 0.00 1.57 3.01 0.34 -5.04 117.46 113.72 1f91 n PHE 317 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1f91 n PHE 317 Cb 1.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.54 1f91 n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f91 n GLY 318 N 1.21 1.58 0.04 1.37 0.00 0.32 -1.29 105.19 108.41 1f91 n GLY 318 Ca 0.03 0.45 0.04 0.00 0.00 0.00 0.00 46.02 46.54 1f91 n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f91 n ASP 319 N 9.56 0.31 -2.00 1.61 10.43 -1.26 -4.44 116.55 130.76 1f91 n ASP 319 Ca 0.00 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.26 1f91 n ASP 319 Cb 0.00 1.61 -0.15 0.00 1.84 0.00 0.00 41.12 44.42 1f91 n ASP 319 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1f91 n LYS 320 N -2.38 1.80 -1.79 -1.24 0.00 -0.41 -4.93 118.16 109.22 1f91 n LYS 320 Ca -0.13 -0.87 -0.41 0.00 0.00 0.00 0.00 58.31 56.90 1f91 n LYS 320 Cb 0.73 -1.91 -0.00 0.00 0.00 0.00 0.00 35.03 33.85 1f91 n LYS 320 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1f91 s SER 321 N 2.06 6.33 0.80 3.14 0.15 -1.26 -4.89 113.70 120.04 1f91 s SER 321 Ca 0.59 3.05 -0.08 0.00 0.70 0.00 0.00 55.95 60.20 1f91 s SER 321 Cb 0.28 -2.66 0.13 0.00 -1.71 0.00 0.00 66.02 62.06 1f91 s SER 321 CO 0.00 -0.89 1.12 -2.16 1.20 0.00 0.00 173.24 172.50 1f91 s PRO 322 N -1.81 1.48 0.24 5.44 0.04 -1.26 -4.73 135.00 134.41 1f91 s PRO 322 Ca 0.55 -0.58 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 1f91 s PRO 322 Cb -0.47 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1f91 s PRO 322 CO 0.61 -1.72 1.25 0.00 0.04 0.00 0.00 177.00 177.17 1f91 s ALA 323 N -3.44 3.48 0.01 8.56 0.00 -0.78 -4.23 121.76 125.37 1f91 s ALA 323 Ca 0.67 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.75 1f91 s ALA 323 Cb -0.07 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1f91 s ALA 323 CO 0.47 -0.46 -0.14 0.42 0.00 0.00 0.00 175.76 176.06 1f91 s ILE 324 N -0.47 1.10 -0.27 0.00 1.01 0.88 -0.20 121.20 123.26 1f91 s ILE 324 Ca 0.52 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1f91 s ILE 324 Cb -0.36 -0.96 0.07 0.00 0.01 0.00 0.00 42.46 41.23 1f91 s ILE 324 CO 0.42 0.16 0.72 -0.94 0.00 0.00 0.00 174.94 175.30 1f91 s SER 325 N -0.72 -0.79 -0.42 3.58 1.04 -1.19 -0.29 113.70 114.91 1f91 s SER 325 Ca 0.04 1.45 -0.14 0.00 0.48 0.00 0.00 55.95 57.77 1f91 s SER 325 Cb -0.07 1.43 0.03 0.00 0.10 0.00 0.00 66.02 67.52 1f91 s SER 325 CO 0.00 -0.24 0.31 0.00 0.98 0.00 0.00 173.24 174.29 1f91 s ALA 326 N 0.72 3.46 -0.48 5.32 0.00 -1.26 -3.19 121.76 126.32 1f91 s ALA 326 Ca -0.03 -1.82 0.25 0.00 0.00 0.00 0.00 51.96 50.36 1f91 s ALA 326 Cb -0.05 -2.88 0.97 0.00 0.00 0.00 0.00 23.12 21.17 1f91 s ALA 326 CO -0.05 -1.52 1.74 1.79 0.00 0.00 0.00 175.76 177.72 1f91 h THR 327 N 5.71 0.00 0.00 0.00 1.35 -1.87 -2.88 112.91 115.22 1f91 h THR 327 Ca -0.27 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1f91 h THR 327 Cb 1.11 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1f91 h THR 327 CO 0.75 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 176.12 1f91 h LYS 328 N 0.00 0.00 0.00 4.72 1.57 -1.82 0.99 116.57 122.03 1f91 h LYS 328 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1f91 h LYS 328 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1f91 h LYS 328 CO 0.00 0.02 -0.10 0.00 -0.57 0.00 0.00 179.45 178.80 1f91 h ALA 329 N 1.98 1.80 0.03 3.86 0.00 -1.77 0.39 119.26 125.56 1f91 h ALA 329 Ca -0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1f91 h ALA 329 Cb 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1f91 h ALA 329 CO 0.00 0.12 -1.86 -1.33 0.00 0.00 0.00 179.25 176.18 1f91 n MET 330 N -4.37 0.63 0.03 0.00 2.81 0.20 -4.64 117.12 111.78 1f91 n MET 330 Ca -0.03 0.39 -0.03 0.00 -1.81 0.00 0.00 57.70 56.22 1f91 n MET 330 Cb 0.17 -1.66 -0.09 0.00 -0.71 0.00 0.00 33.22 30.93 1f91 n MET 330 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1f91 h THR 331 N -0.63 0.70 0.00 2.03 1.35 -1.07 -0.47 112.91 114.82 1f91 h THR 331 Ca -0.47 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1f91 h THR 331 Cb 1.61 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1f91 h THR 331 CO -0.18 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1f91 n GLY 332 N 1.43 -3.59 3.38 5.82 0.00 0.13 -4.51 105.19 107.85 1f91 n GLY 332 Ca -0.10 -1.92 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 1f91 n GLY 332 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f91 s HIS 333 N -0.94 3.22 -1.72 1.61 2.46 0.15 -4.62 115.29 115.45 1f91 s HIS 333 Ca 0.00 -0.97 0.04 0.00 0.47 0.00 0.00 55.06 54.60 1f91 s HIS 333 Cb 0.00 -3.38 0.13 0.00 -0.13 0.00 0.00 32.58 29.20 1f91 s HIS 333 CO 0.00 -0.89 1.01 -1.13 -2.47 0.00 0.00 174.74 171.26 1f91 n SER 334 N 5.36 1.03 0.00 9.88 3.41 -1.26 -0.75 113.62 131.29 1f91 n SER 334 Ca -0.12 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1f91 n SER 334 Cb 0.43 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1f91 n SER 334 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f91 n LEU 335 N -0.04 0.00 0.30 1.04 4.77 -1.26 -1.80 117.00 120.01 1f91 n LEU 335 Ca 0.05 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.19 1f91 n LEU 335 Cb 0.19 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.21 1f91 n LEU 335 CO 0.04 0.00 1.08 1.23 -1.33 0.00 0.00 177.39 178.41 1f91 h GLY 336 N 0.00 0.00 0.23 -0.72 0.00 -1.86 -1.69 103.07 99.03 1f91 h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1f91 h GLY 336 CO 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 176.54 175.99 1f91 n ALA 337 N -2.23 3.72 -0.24 3.60 0.00 -0.74 -2.51 120.51 122.11 1f91 n ALA 337 Ca -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 52.91 1f91 n ALA 337 Cb 0.15 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.68 1f91 n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f91 h ALA 338 N 3.33 0.87 -0.11 0.00 0.00 -1.39 -1.83 119.26 120.13 1f91 h ALA 338 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1f91 h ALA 338 Cb 0.54 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1f91 h ALA 338 CO 0.00 0.18 -0.18 0.78 0.00 0.00 0.00 179.25 180.03 1f91 h GLY 339 N 0.82 -0.15 1.65 0.00 0.00 -1.74 -1.19 103.07 102.45 1f91 h GLY 339 Ca 0.27 0.21 -0.23 0.00 0.00 0.00 0.00 47.33 47.59 1f91 h GLY 339 CO -0.11 -0.17 -0.98 -0.24 0.00 0.00 0.00 176.54 175.05 1f91 h VAL 340 N -0.23 1.46 -0.45 4.60 3.04 -1.69 -2.49 116.25 120.49 1f91 h VAL 340 Ca 0.09 -2.65 -0.05 0.00 -1.01 0.00 0.00 66.70 63.08 1f91 h VAL 340 Cb 0.36 2.55 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 1f91 h VAL 340 CO -0.24 0.78 0.07 1.56 -1.01 0.00 0.00 177.57 178.72 1f91 h GLN 341 N 0.15 0.75 0.00 4.17 4.20 -1.26 -1.00 115.11 122.11 1f91 h GLN 341 Ca -0.08 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 1f91 h GLN 341 Cb 1.63 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 1f91 h GLN 341 CO 0.16 0.77 -0.45 0.93 -0.67 0.00 0.00 178.83 179.57 1f91 h GLU 342 N 0.61 0.00 -0.20 1.46 5.08 -1.28 -0.22 114.58 120.03 1f91 h GLU 342 Ca 0.14 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1f91 h GLU 342 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1f91 h GLU 342 CO 0.01 0.45 -0.48 0.00 -1.00 0.00 0.00 179.01 177.99 1f91 h ALA 343 N 1.55 0.80 -0.37 3.43 0.00 -1.16 -2.37 119.26 121.13 1f91 h ALA 343 Ca -0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1f91 h ALA 343 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1f91 h ALA 343 CO 0.06 0.67 -0.36 0.82 0.00 0.00 0.00 179.25 180.43 1f91 h ILE 344 N 0.42 1.28 -0.59 0.00 2.04 -0.54 -1.49 117.51 118.61 1f91 h ILE 344 Ca 0.02 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 1f91 h ILE 344 Cb 0.99 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 1f91 h ILE 344 CO 0.09 0.51 0.24 1.88 0.00 0.00 0.00 178.15 180.87 1f91 h TYR 345 N 0.70 0.86 -0.40 1.37 0.05 -0.96 -1.37 116.97 117.22 1f91 h TYR 345 Ca 0.06 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 1f91 h TYR 345 Cb 0.95 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1f91 h TYR 345 CO 0.07 0.66 -0.10 0.77 -1.05 0.00 0.00 178.16 178.51 1f91 h SER 346 N 0.85 0.78 -0.41 3.88 0.02 -1.28 -1.90 113.55 115.50 1f91 h SER 346 Ca 0.20 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1f91 h SER 346 Cb 0.16 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1f91 h SER 346 CO -0.02 0.96 0.13 -0.07 -1.14 0.00 0.00 176.83 176.70 1f91 h LEU 347 N 0.58 0.64 -0.72 5.07 3.38 -0.82 0.21 115.31 123.65 1f91 h LEU 347 Ca 0.10 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1f91 h LEU 347 Cb 0.63 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1f91 h LEU 347 CO 0.04 0.62 -0.44 -0.07 0.09 0.00 0.00 178.44 178.68 1f91 h LEU 348 N 0.68 0.48 -0.40 1.67 3.38 -1.06 0.26 115.31 120.33 1f91 h LEU 348 Ca 0.16 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1f91 h LEU 348 Cb 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1f91 h LEU 348 CO -0.01 0.86 -0.47 0.24 0.09 0.00 0.00 178.44 179.15 1f91 h MET 349 N 0.36 0.83 -0.44 1.13 2.86 -0.78 -0.53 114.93 118.37 1f91 h MET 349 Ca 0.03 -0.48 -0.10 0.00 -2.06 0.00 0.00 59.70 57.08 1f91 h MET 349 Cb 0.92 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1f91 h MET 349 CO 0.08 1.12 -0.13 1.25 1.06 0.00 0.00 176.91 180.29 1f91 h LEU 350 N 0.66 0.88 -0.34 1.22 5.85 -0.72 -1.30 115.31 121.55 1f91 h LEU 350 Ca 0.03 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1f91 h LEU 350 Cb 1.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1f91 h LEU 350 CO 0.11 1.05 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.09 1f91 h GLU 351 N 0.70 0.66 -0.66 1.25 4.57 -0.37 -3.30 114.58 117.42 1f91 h GLU 351 Ca 0.11 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1f91 h GLU 351 Cb 0.68 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1f91 h GLU 351 CO 0.05 0.83 0.00 0.72 -1.18 0.00 0.00 179.01 179.43 1f91 n HIS 352 N -4.41 1.01 -3.51 0.92 8.25 -0.22 -5.02 115.22 112.25 1f91 n HIS 352 Ca -0.02 -0.53 -0.20 0.00 -0.26 0.00 0.00 57.72 56.71 1f91 n HIS 352 Cb 0.34 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.45 1f91 n HIS 352 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f91 n GLY 353 N 1.38 -0.66 3.34 -1.41 0.00 -0.52 -4.94 105.19 102.39 1f91 n GLY 353 Ca 0.23 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 1f91 n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f91 s PHE 354 N -3.49 -0.29 -0.23 1.61 -0.12 -1.04 -0.98 117.98 113.44 1f91 s PHE 354 Ca 0.20 0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 57.08 1f91 s PHE 354 Cb -0.04 0.33 0.01 0.00 -0.63 0.00 0.00 43.02 42.69 1f91 s PHE 354 CO 0.78 -0.73 -0.07 0.42 -0.05 0.00 0.00 175.22 175.58 1f91 s ILE 355 N -3.70 2.97 0.36 -4.49 1.01 0.13 -4.57 121.20 112.92 1f91 s ILE 355 Ca 0.02 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 1f91 s ILE 355 Cb 0.01 -2.44 -0.10 0.00 0.01 0.00 0.00 42.46 39.94 1f91 s ILE 355 CO -0.12 0.30 1.38 0.00 0.00 0.00 0.00 174.94 176.51 1f91 s ALA 356 N 1.37 3.50 0.52 9.38 0.00 -1.26 -2.72 121.76 132.56 1f91 s ALA 356 Ca 0.03 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 1f91 s ALA 356 Cb -0.15 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 1f91 s ALA 356 CO -0.05 -0.85 1.04 -1.25 0.00 0.00 0.00 175.76 174.65 1f91 s PRO 357 N -1.98 3.66 -0.52 0.00 0.04 -1.26 -4.78 135.00 130.16 1f91 s PRO 357 Ca 0.52 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 1f91 s PRO 357 Cb -0.42 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.12 1f91 s PRO 357 CO 0.57 -0.54 0.57 0.45 0.04 0.00 0.00 177.00 178.08 1f91 s SER 358 N -2.34 6.19 0.74 6.66 0.15 0.26 -4.77 113.70 120.58 1f91 s SER 358 Ca 0.65 -1.26 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 1f91 s SER 358 Cb -0.16 -2.25 0.10 0.00 -1.71 0.00 0.00 66.02 62.00 1f91 s SER 358 CO 0.26 -0.87 1.05 0.27 1.20 0.00 0.00 173.24 175.15 1f91 s ILE 359 N 2.24 2.22 -1.87 6.45 -4.36 -1.26 -4.48 121.20 120.13 1f91 s ILE 359 Ca 0.10 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.18 1f91 s ILE 359 Cb -0.23 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.57 1f91 s ILE 359 CO 0.08 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.85 1f91 n ASN 360 N -3.01 -5.16 -4.41 4.36 3.02 -1.26 -4.53 115.26 104.26 1f91 n ASN 360 Ca 0.11 0.41 -0.45 0.00 -0.03 0.00 0.00 54.58 54.62 1f91 n ASN 360 Cb 0.60 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.50 1f91 n ASN 360 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1f91 s ILE 361 N -2.68 4.91 0.02 2.41 1.01 -1.26 -4.73 121.20 120.87 1f91 s ILE 361 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 60.65 58.97 1f91 s ILE 361 Cb 0.00 -4.67 -0.29 0.00 0.01 0.00 0.00 42.46 37.51 1f91 s ILE 361 CO 0.00 -1.35 0.92 -0.33 0.00 0.00 0.00 174.94 174.17 1f91 h GLU 362 N 8.69 0.29 -2.94 2.79 5.08 -1.95 -3.43 114.58 123.11 1f91 h GLU 362 Ca 0.06 -0.50 -0.56 0.00 -1.00 0.00 0.00 59.36 57.37 1f91 h GLU 362 Cb 1.04 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 30.08 1f91 h GLU 362 CO 1.03 1.18 -0.79 -2.00 -1.00 0.00 0.00 179.01 177.44 1f91 s GLU 363 N -2.62 0.46 0.26 2.33 2.12 -1.26 -5.05 118.70 114.94 1f91 s GLU 363 Ca -0.08 -0.92 -0.30 0.00 0.36 0.00 0.00 54.97 54.02 1f91 s GLU 363 Cb 0.06 -1.47 -0.14 0.00 0.26 0.00 0.00 34.13 32.85 1f91 s GLU 363 CO 0.87 -1.06 1.21 -0.11 -0.54 0.00 0.00 175.26 175.62 1f91 n LEU 364 N 4.79 2.43 -4.77 2.70 7.94 -1.26 -0.39 117.00 128.45 1f91 n LEU 364 Ca -0.00 1.17 -0.39 0.00 -1.11 0.00 0.00 56.01 55.67 1f91 n LEU 364 Cb 0.40 -1.35 -0.00 0.00 0.53 0.00 0.00 43.42 43.00 1f91 n LEU 364 CO 0.09 -0.95 0.96 -0.62 -1.11 0.00 0.00 177.39 175.76 1f91 s ASP 365 N -0.15 6.31 0.21 1.96 -1.08 -0.18 -4.68 116.67 119.06 1f91 s ASP 365 Ca 0.64 2.65 -0.09 0.00 -0.52 0.00 0.00 52.55 55.23 1f91 s ASP 365 Cb -0.69 -2.64 0.24 0.00 -1.46 0.00 0.00 42.92 38.37 1f91 s ASP 365 CO 0.56 -0.85 1.83 -0.33 0.52 0.00 0.00 175.17 176.89 1f91 h GLU 366 N 2.67 0.75 0.00 4.34 5.08 -1.90 -1.32 114.58 124.19 1f91 h GLU 366 Ca -0.50 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1f91 h GLU 366 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1f91 h GLU 366 CO 0.63 0.50 0.00 1.04 -1.00 0.00 0.00 179.01 180.17 1f91 n GLN 367 N -4.73 0.19 0.00 2.33 6.02 -1.26 -0.59 117.38 119.34 1f91 n GLN 367 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 1f91 n GLN 367 Cb 0.15 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 1f91 n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f91 n ALA 368 N -1.00 4.28 -1.58 -1.58 0.00 -0.50 -4.81 120.51 115.33 1f91 n ALA 368 Ca 0.05 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1f91 n ALA 368 Cb 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 1f91 n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f91 n ALA 369 N -1.16 -0.20 -0.89 0.00 0.00 0.24 -2.05 120.51 116.44 1f91 n ALA 369 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1f91 n ALA 369 Cb 0.36 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1f91 n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f91 n GLY 370 N 1.26 1.13 3.84 0.00 0.00 -1.26 -5.03 105.19 105.14 1f91 n GLY 370 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1f91 n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f91 s LEU 371 N 0.00 3.96 -1.26 0.99 1.43 -0.87 -4.88 118.68 118.05 1f91 s LEU 371 Ca 0.00 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1f91 s LEU 371 Cb 0.00 -2.56 0.16 0.00 0.03 0.00 0.00 46.19 43.82 1f91 s LEU 371 CO 0.00 0.07 1.71 -3.20 0.23 0.00 0.00 176.35 175.16 1f91 n ASN 372 N -0.32 5.10 -4.58 2.29 5.15 -1.26 -4.97 115.26 116.66 1f91 n ASN 372 Ca -0.08 -3.04 -0.41 0.00 -0.60 0.00 0.00 54.58 50.45 1f91 n ASN 372 Cb 0.54 -1.53 -0.07 0.00 -0.53 0.00 0.00 39.78 38.19 1f91 n ASN 372 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f91 s ILE 373 N 1.09 4.95 -0.27 -1.44 1.01 -1.26 -0.08 121.20 125.20 1f91 s ILE 373 Ca 0.42 0.69 -0.24 0.00 0.00 0.00 0.00 60.65 61.51 1f91 s ILE 373 Cb 0.05 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 1f91 s ILE 373 CO 0.00 -0.18 0.82 -0.69 0.00 0.00 0.00 174.94 174.89 1f91 s VAL 374 N 2.57 4.81 -1.67 2.92 1.01 0.60 -4.92 120.40 125.72 1f91 s VAL 374 Ca 0.23 1.42 0.14 0.00 0.00 0.00 0.00 61.98 63.78 1f91 s VAL 374 Cb -0.15 -4.14 0.18 0.00 0.00 0.00 0.00 36.38 32.27 1f91 s VAL 374 CO 0.13 -0.16 1.05 0.35 0.00 0.00 0.00 175.10 176.46 1f91 n THR 375 N 5.39 0.23 -3.83 3.92 -2.24 -1.26 -0.58 114.28 115.92 1f91 n THR 375 Ca 0.05 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1f91 n THR 375 Cb 0.48 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.69 1f91 n THR 375 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1f91 s GLU 376 N -1.16 0.13 -0.17 -0.78 -1.05 -1.26 -4.46 118.70 109.95 1f91 s GLU 376 Ca 0.20 0.16 -0.39 0.00 -0.15 0.00 0.00 54.97 54.80 1f91 s GLU 376 Cb 0.13 0.06 -0.16 0.00 -0.44 0.00 0.00 34.13 33.72 1f91 s GLU 376 CO 0.19 -0.02 1.64 2.41 0.95 0.00 0.00 175.26 180.42 1f91 n THR 377 N 3.05 0.23 -3.95 1.83 -1.04 -1.26 -4.64 114.28 108.49 1f91 n THR 377 Ca -0.13 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.55 1f91 n THR 377 Cb 0.59 -1.14 -0.16 0.00 -1.82 0.00 0.00 70.33 67.80 1f91 n THR 377 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1f91 s THR 378 N 2.69 1.33 0.03 12.58 2.01 -1.10 -4.97 115.64 128.20 1f91 s THR 378 Ca 0.94 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1f91 s THR 378 Cb -1.02 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1f91 s THR 378 CO 0.60 0.29 1.22 -1.81 -0.69 0.00 0.00 174.62 174.23 1f91 s ASP 379 N 1.56 7.04 -0.27 3.53 1.01 -1.26 -0.69 116.67 127.59 1f91 s ASP 379 Ca 0.03 1.99 -0.24 0.00 0.71 0.00 0.00 52.55 55.03 1f91 s ASP 379 Cb -0.14 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.29 1f91 s ASP 379 CO -0.09 -0.52 0.76 -0.60 0.21 0.00 0.00 175.17 174.92 1f91 s ARG 380 N 1.44 0.79 -0.31 8.23 6.06 -0.15 -4.93 118.95 130.06 1f91 s ARG 380 Ca 0.59 0.97 -0.29 0.00 -2.50 0.00 0.00 55.73 54.49 1f91 s ARG 380 Cb -0.29 0.37 0.01 0.00 0.06 0.00 0.00 34.95 35.10 1f91 s ARG 380 CO 0.27 -0.10 1.21 -2.00 -2.50 0.00 0.00 175.30 172.18 1f91 s GLU 381 N 0.45 3.97 0.16 5.12 2.12 -1.26 -3.16 118.70 126.10 1f91 s GLU 381 Ca -0.00 1.15 0.03 0.00 0.36 0.00 0.00 54.97 56.51 1f91 s GLU 381 Cb -0.05 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 1f91 s GLU 381 CO -0.01 -1.05 0.28 -0.51 -0.54 0.00 0.00 175.26 173.43 1f91 s LEU 382 N 4.10 4.31 0.00 2.70 1.43 -1.26 -5.02 118.68 124.94 1f91 s LEU 382 Ca 0.52 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1f91 s LEU 382 Cb -0.15 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1f91 s LEU 382 CO 0.21 0.04 0.00 0.41 0.23 0.00 0.00 176.35 177.24 1f91 n THR 383 N -0.62 0.00 -4.02 5.49 -1.04 -1.26 -4.91 114.28 107.91 1f91 n THR 383 Ca -0.07 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 1f91 n THR 383 Cb 0.54 -0.12 -0.17 0.00 -1.82 0.00 0.00 70.33 68.76 1f91 n THR 383 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1f91 s THR 384 N -1.24 0.77 0.10 12.58 2.01 -1.26 -1.01 115.64 127.58 1f91 s THR 384 Ca 0.00 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 61.91 1f91 s THR 384 Cb 0.00 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1f91 s THR 384 CO 0.00 0.31 -0.23 0.68 -0.69 0.00 0.00 174.62 174.69 1f91 s VAL 385 N 1.46 1.86 0.05 3.82 -7.23 0.38 -0.96 120.40 119.77 1f91 s VAL 385 Ca -0.01 -1.54 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1f91 s VAL 385 Cb -0.13 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1f91 s VAL 385 CO -0.04 0.03 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.27 1f91 s MET 386 N -1.80 1.25 -0.05 4.82 -2.45 -0.10 -0.69 119.30 120.29 1f91 s MET 386 Ca 0.09 -0.94 -0.01 0.00 -1.25 0.00 0.00 55.69 53.58 1f91 s MET 386 Cb -0.10 -1.37 0.03 0.00 1.25 0.00 0.00 34.83 34.64 1f91 s MET 386 CO 0.04 0.34 0.02 0.45 1.05 0.00 0.00 175.02 176.92 1f91 s SER 387 N -1.29 1.01 0.02 1.11 0.15 -0.51 -0.23 113.70 113.96 1f91 s SER 387 Ca 0.06 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 1f91 s SER 387 Cb -0.09 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1f91 s SER 387 CO 0.02 -0.17 0.20 0.20 1.20 0.00 0.00 173.24 174.69 1f91 s ASN 388 N 1.63 6.37 -0.17 5.45 0.01 -0.88 -1.84 114.94 125.51 1f91 s ASN 388 Ca -0.01 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.41 1f91 s ASN 388 Cb -0.13 -1.98 0.08 0.00 0.41 0.00 0.00 41.25 39.63 1f91 s ASN 388 CO -0.03 0.22 0.26 -0.44 -1.51 0.00 0.00 177.10 175.59 1f91 s SER 389 N -2.21 0.72 -0.11 -1.22 0.01 -0.16 -3.59 113.70 107.13 1f91 s SER 389 Ca 0.31 0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.84 1f91 s SER 389 Cb -0.13 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.74 1f91 s SER 389 CO 0.23 -0.28 -0.15 -0.36 0.41 0.00 0.00 173.24 173.09 1f91 s PHE 390 N 2.40 1.98 0.44 2.43 0.08 -1.26 -0.62 117.98 123.43 1f91 s PHE 390 Ca 0.05 -0.95 0.05 0.00 0.12 0.00 0.00 56.93 56.20 1f91 s PHE 390 Cb -0.14 -1.43 -0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1f91 s PHE 390 CO -0.11 -0.49 0.01 0.20 -0.10 0.00 0.00 175.22 174.73 1f91 s GLY 391 N 1.04 2.67 0.48 4.36 0.00 0.21 -4.64 107.32 111.44 1f91 s GLY 391 Ca -0.05 -1.71 -0.23 0.00 0.00 0.00 0.00 44.72 42.73 1f91 s GLY 391 CO -0.03 -2.13 1.15 0.69 0.00 0.00 0.00 173.10 172.79 1f91 n PHE 392 N -1.07 1.62 -0.33 1.90 0.99 -1.26 -2.32 117.46 116.99 1f91 n PHE 392 Ca -0.09 0.49 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 1f91 n PHE 392 Cb 0.67 -2.28 0.00 0.00 -1.00 0.00 0.00 39.48 36.87 1f91 n PHE 392 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1f91 n GLY 393 N 1.01 0.80 2.85 1.37 0.00 0.40 -4.21 105.19 107.40 1f91 n GLY 393 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1f91 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 394 N -2.25 -0.35 3.69 -0.02 0.00 -0.98 -4.70 105.19 100.58 1f91 n GLY 394 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1f91 n GLY 394 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f91 s THR 395 N -3.10 5.30 0.10 2.61 -1.32 -1.07 -0.05 115.64 118.12 1f91 s THR 395 Ca 0.27 0.45 0.10 0.00 -1.21 0.00 0.00 61.69 61.31 1f91 s THR 395 Cb -0.12 -3.61 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 1f91 s THR 395 CO 0.33 0.34 -0.27 0.20 -2.21 0.00 0.00 174.62 173.01 1f91 s ASN 396 N 0.82 3.26 -0.12 8.08 0.01 -0.10 -0.62 114.94 126.27 1f91 s ASN 396 Ca 0.14 -0.69 -0.08 0.00 -0.71 0.00 0.00 52.86 51.51 1f91 s ASN 396 Cb -0.13 -0.24 0.04 0.00 0.41 0.00 0.00 41.25 41.32 1f91 s ASN 396 CO 0.05 0.21 0.29 0.00 -1.51 0.00 0.00 177.10 176.14 1f91 s ALA 397 N -0.97 -0.72 -0.02 0.60 0.00 0.21 -2.06 121.76 118.80 1f91 s ALA 397 Ca 0.13 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1f91 s ALA 397 Cb -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1f91 s ALA 397 CO 0.05 -0.18 -0.05 0.99 0.00 0.00 0.00 175.76 176.57 1f91 s THR 398 N 0.73 0.47 -0.06 0.00 2.01 -0.51 -0.99 115.64 117.28 1f91 s THR 398 Ca -0.05 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 61.84 1f91 s THR 398 Cb -0.06 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1f91 s THR 398 CO -0.05 0.17 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.05 1f91 s LEU 399 N 0.39 2.05 -0.18 4.42 1.43 -0.77 -0.72 118.68 125.30 1f91 s LEU 399 Ca -0.05 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1f91 s LEU 399 Cb -0.08 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.82 1f91 s LEU 399 CO -0.00 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 1f91 s VAL 400 N -0.11 2.12 -0.02 -1.59 1.01 0.31 -1.42 120.40 120.70 1f91 s VAL 400 Ca -0.05 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1f91 s VAL 400 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1f91 s VAL 400 CO 0.04 0.54 -0.25 -0.04 0.00 0.00 0.00 175.10 175.39 1f91 s MET 401 N 1.24 2.16 0.01 2.72 -1.94 0.14 -1.22 119.30 122.40 1f91 s MET 401 Ca 0.04 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.12 1f91 s MET 401 Cb -0.13 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1f91 s MET 401 CO -0.11 0.56 -0.04 0.50 -0.01 0.00 0.00 175.02 175.92 1f91 s ARG 402 N -0.61 0.29 0.48 2.03 3.52 -0.08 -0.47 118.95 124.11 1f91 s ARG 402 Ca 0.10 -0.38 -0.24 0.00 -0.13 0.00 0.00 55.73 55.08 1f91 s ARG 402 Cb -0.10 -0.11 -0.08 0.00 -1.56 0.00 0.00 34.95 33.10 1f91 s ARG 402 CO -0.01 0.02 1.27 1.63 -0.81 0.00 0.00 175.30 177.40 1f91 n LYS 403 N 2.26 1.77 -3.12 5.12 5.02 -0.18 -0.58 118.16 128.44 1f91 n LYS 403 Ca -0.18 0.64 -0.39 0.00 -2.02 0.00 0.00 58.31 56.35 1f91 n LYS 403 Cb 0.57 -2.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.11 1f91 n LYS 403 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1f91 s LEU 404 N -2.24 4.29 -0.89 -0.35 2.96 -1.26 -4.78 118.68 116.41 1f91 s LEU 404 Ca 0.65 1.06 -0.22 0.00 -0.22 0.00 0.00 54.13 55.40 1f91 s LEU 404 Cb -0.47 -2.97 -0.23 0.00 0.50 0.00 0.00 46.19 43.03 1f91 s LEU 404 CO 0.54 -0.11 2.42 2.29 -1.32 0.00 0.00 176.35 180.18 1f91 n LYS 405 N 3.91 0.25 -0.20 1.98 2.85 -1.26 -5.10 118.16 120.60 1f91 n LYS 405 Ca -0.03 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1f91 n LYS 405 Cb 0.51 -1.98 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 1f91 n LYS 405 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95