#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 4.64 0.08 2.12 1.02 -1.26 -5.03 119.74 121.30 1f91 s LYS 2 Ca 0.00 1.56 -0.17 0.00 0.02 0.00 0.00 55.97 57.38 1f91 s LYS 2 Cb 0.00 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.90 1f91 s LYS 2 CO 0.00 0.12 0.54 1.03 -0.92 0.00 0.00 175.35 176.12 1f91 s ARG 3 N 0.01 4.10 -0.08 1.68 0.52 -1.26 -4.66 118.95 119.26 1f91 s ARG 3 Ca 0.49 0.63 0.04 0.00 -0.52 0.00 0.00 55.73 56.36 1f91 s ARG 3 Cb -0.26 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 1f91 s ARG 3 CO 0.31 0.60 -0.20 0.08 0.02 0.00 0.00 175.30 176.12 1f91 s VAL 4 N -1.20 2.50 0.27 3.52 1.01 -1.26 -1.18 120.40 124.05 1f91 s VAL 4 Ca 0.31 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1f91 s VAL 4 Cb -0.18 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 1f91 s VAL 4 CO 0.18 0.56 0.02 0.68 0.00 0.00 0.00 175.10 176.54 1f91 s VAL 5 N -0.11 1.10 -0.21 2.92 -7.23 -0.54 -1.24 120.40 115.10 1f91 s VAL 5 Ca -0.04 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.07 1f91 s VAL 5 Cb -0.14 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1f91 s VAL 5 CO 0.04 -0.19 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.94 1f91 s ILE 6 N -3.37 3.25 -0.31 -0.62 1.01 -0.34 -1.00 121.20 119.83 1f91 s ILE 6 Ca 0.32 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1f91 s ILE 6 Cb 0.07 -2.46 0.08 0.00 0.01 0.00 0.00 42.46 40.16 1f91 s ILE 6 CO 0.12 0.44 1.00 0.35 0.00 0.00 0.00 174.94 176.85 1f91 n THR 7 N 4.62 0.83 -3.58 2.92 -2.24 -0.66 -1.49 114.28 114.68 1f91 n THR 7 Ca -0.18 -0.91 -0.11 0.00 -2.27 0.00 0.00 64.05 60.57 1f91 n THR 7 Cb 0.51 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.88 -0.30 0.04 3.38 0.00 -1.26 -3.92 107.32 104.39 1f91 s GLY 8 Ca 0.07 2.00 -0.13 0.00 0.00 0.00 0.00 44.72 46.65 1f91 s GLY 8 CO 0.05 1.11 0.29 0.48 0.00 0.00 0.00 173.10 175.02 1f91 s LEU 9 N -0.97 0.94 -0.02 0.66 0.05 -1.26 -0.38 118.68 117.70 1f91 s LEU 9 Ca -0.02 -0.18 -0.12 0.00 0.05 0.00 0.00 54.13 53.86 1f91 s LEU 9 Cb -0.01 1.29 0.02 0.00 -2.05 0.00 0.00 46.19 45.44 1f91 s LEU 9 CO 0.02 -0.58 0.26 -0.83 -0.55 0.00 0.00 176.35 174.67 1f91 s GLY 10 N -1.96 -0.11 -0.18 -3.48 0.00 0.05 -3.47 107.32 98.17 1f91 s GLY 10 Ca -0.06 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 1f91 s GLY 10 CO -0.02 0.07 0.68 -1.50 0.00 0.00 0.00 173.10 172.33 1f91 s ILE 11 N -1.20 0.00 -0.25 0.90 2.07 -1.26 -1.53 121.20 119.93 1f91 s ILE 11 Ca -0.13 -0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.08 1f91 s ILE 11 Cb -0.06 -0.97 0.08 0.00 0.13 0.00 0.00 42.46 41.65 1f91 s ILE 11 CO 0.03 -0.01 0.06 -0.69 -1.91 0.00 0.00 174.94 172.42 1f91 s VAL 12 N -0.26 0.74 0.33 4.00 1.01 -0.63 -3.05 120.40 122.55 1f91 s VAL 12 Ca -0.04 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1f91 s VAL 12 Cb -0.03 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1f91 s VAL 12 CO 0.04 -0.43 0.22 -0.94 0.00 0.00 0.00 175.10 173.99 1f91 s SER 13 N 1.72 1.73 0.64 3.32 1.04 0.55 -1.13 113.70 121.58 1f91 s SER 13 Ca 0.04 -1.69 0.41 0.00 0.48 0.00 0.00 55.95 55.20 1f91 s SER 13 Cb -0.17 0.51 2.20 0.00 0.10 0.00 0.00 66.02 68.66 1f91 s SER 13 CO -0.17 -1.00 2.30 0.77 0.98 0.00 0.00 173.24 176.12 1f91 h SER 14 N 2.12 0.00 -0.31 7.02 4.64 -1.78 -2.36 113.55 122.89 1f91 h SER 14 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1f91 h SER 14 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1f91 h SER 14 CO 0.44 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.70 1f91 n ILE 15 N -3.17 1.63 0.00 0.95 -5.35 -1.26 -4.48 119.36 107.68 1f91 n ILE 15 Ca -0.02 -1.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 1f91 n ILE 15 Cb 0.11 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 0.02 3.39 1.16 3.28 0.00 -0.89 -3.97 105.19 108.19 1f91 n GLY 16 Ca 0.16 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 3.65 -3.51 1.61 3.02 -1.26 -0.33 115.26 118.44 1f91 n ASN 17 Ca 0.00 -1.99 -0.04 0.00 -0.03 0.00 0.00 54.58 52.52 1f91 n ASN 17 Cb 0.00 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.04 -0.09 0.45 6.41 6.03 -1.17 -4.64 114.94 120.88 1f91 s ASN 18 Ca 0.42 -0.62 0.22 0.00 -1.03 0.00 0.00 52.86 51.84 1f91 s ASN 18 Cb 0.22 0.56 1.08 0.00 -3.03 0.00 0.00 41.25 40.08 1f91 s ASN 18 CO 0.29 -1.08 1.93 0.06 -2.03 0.00 0.00 177.10 176.27 1f91 h GLN 19 N 2.00 0.00 -0.08 3.55 3.07 -1.93 -2.16 115.11 119.56 1f91 h GLN 19 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.45 1f91 h GLN 19 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.79 1f91 h GLN 19 CO 0.31 0.23 -0.05 1.96 0.09 0.00 0.00 178.83 181.37 1f91 h GLN 20 N 0.00 0.18 -0.70 0.06 7.50 -1.99 -0.93 115.11 119.23 1f91 h GLN 20 Ca -0.00 -0.08 -0.07 0.00 0.50 0.00 0.00 58.65 59.00 1f91 h GLN 20 Cb 0.54 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.04 1f91 h GLN 20 CO 0.03 0.56 0.17 0.93 -1.50 0.00 0.00 178.83 179.02 1f91 h GLU 21 N -0.21 1.11 -0.76 1.46 5.08 -1.89 -2.32 114.58 117.05 1f91 h GLU 21 Ca 0.02 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1f91 h GLU 21 Cb 0.51 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1f91 h GLU 21 CO 0.01 0.98 0.28 0.28 -1.00 0.00 0.00 179.01 179.56 1f91 h VAL 22 N 1.06 1.26 0.15 3.13 2.07 -1.36 -1.87 116.25 120.68 1f91 h VAL 22 Ca 0.22 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1f91 h VAL 22 Cb 0.36 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1f91 h VAL 22 CO 0.00 0.34 -0.19 0.25 0.02 0.00 0.00 177.57 177.99 1f91 h LEU 23 N 1.11 -0.51 -0.45 2.57 5.85 -0.80 0.49 115.31 123.57 1f91 h LEU 23 Ca 0.25 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.08 1f91 h LEU 23 Cb 0.25 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1f91 h LEU 23 CO -0.02 -0.28 0.16 0.00 -0.34 0.00 0.00 178.44 177.97 1f91 h ALA 24 N 0.40 0.54 -0.26 1.25 0.00 -1.24 -0.96 119.26 118.98 1f91 h ALA 24 Ca 0.01 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1f91 h ALA 24 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1f91 h ALA 24 CO -0.07 -0.23 0.16 0.77 0.00 0.00 0.00 179.25 179.88 1f91 h SER 25 N 0.33 0.27 -0.81 0.00 0.02 -1.00 -1.58 113.55 110.78 1f91 h SER 25 Ca 0.21 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1f91 h SER 25 Cb 0.21 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1f91 h SER 25 CO -0.22 0.20 0.52 -0.07 -1.14 0.00 0.00 176.83 176.12 1f91 h LEU 26 N 0.33 0.88 -0.98 5.07 3.38 -0.39 0.77 115.31 124.38 1f91 h LEU 26 Ca 0.10 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1f91 h LEU 26 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1f91 h LEU 26 CO -0.04 0.62 -0.20 0.03 0.09 0.00 0.00 178.44 178.94 1f91 h ARG 27 N 1.04 0.51 -0.00 1.13 3.08 -0.88 -3.02 114.38 116.23 1f91 h ARG 27 Ca 0.32 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1f91 h ARG 27 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1f91 h ARG 27 CO -0.10 0.68 -0.44 0.39 -1.07 0.00 0.00 179.97 179.44 1f91 n GLU 28 N -4.15 0.26 -2.88 0.04 1.02 -0.62 -4.71 120.64 109.60 1f91 n GLU 28 Ca 0.00 -0.16 -0.18 0.00 -0.02 0.00 0.00 57.16 56.81 1f91 n GLU 28 Cb 0.37 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.45 -0.28 3.70 0.62 0.00 0.21 -4.95 105.19 105.94 1f91 n GLY 29 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.48 4.50 0.39 1.61 3.52 -0.91 -5.01 118.95 117.58 1f91 s ARG 30 Ca 0.25 1.35 -0.25 0.00 -0.13 0.00 0.00 55.73 56.95 1f91 s ARG 30 Cb -0.11 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 1f91 s ARG 30 CO 0.31 -0.13 1.07 0.45 -0.81 0.00 0.00 175.30 176.19 1f91 s SER 31 N 1.02 6.75 0.00 -2.12 0.15 -1.26 -4.83 113.70 113.41 1f91 s SER 31 Ca 0.49 2.11 0.13 0.00 0.70 0.00 0.00 55.95 59.38 1f91 s SER 31 Cb -0.20 -2.59 0.26 0.00 -1.71 0.00 0.00 66.02 61.78 1f91 s SER 31 CO 0.24 -0.50 1.15 0.61 1.20 0.00 0.00 173.24 175.94 1f91 n GLY 32 N 0.47 1.66 3.74 9.45 0.00 0.52 -4.98 105.19 116.05 1f91 n GLY 32 Ca 0.04 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.03 4.75 0.25 -0.61 -1.09 -1.25 -4.11 121.20 118.11 1f91 s ILE 33 Ca 0.22 1.67 0.02 0.00 -2.23 0.00 0.00 60.65 60.33 1f91 s ILE 33 Cb 0.13 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1f91 s ILE 33 CO 0.17 0.34 0.07 0.42 -1.23 0.00 0.00 174.94 174.71 1f91 s THR 34 N 0.09 0.70 0.25 2.92 -4.23 -0.41 -4.24 115.64 110.72 1f91 s THR 34 Ca 0.40 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 1f91 s THR 34 Cb -0.20 -2.56 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 1f91 s THR 34 CO 0.23 -0.10 1.02 0.12 -0.54 0.00 0.00 174.62 175.35 1f91 s PHE 35 N -3.65 3.79 -0.28 3.99 5.36 -1.26 -1.69 117.98 124.25 1f91 s PHE 35 Ca 0.35 1.81 -0.00 0.00 -0.96 0.00 0.00 56.93 58.13 1f91 s PHE 35 Cb 0.07 -3.12 0.05 0.00 -0.34 0.00 0.00 43.02 39.68 1f91 s PHE 35 CO 0.12 -0.02 -0.05 0.45 -1.46 0.00 0.00 175.22 174.26 1f91 s SER 36 N -0.97 4.63 0.31 6.13 0.15 0.25 -4.88 113.70 119.31 1f91 s SER 36 Ca 0.43 -1.24 0.04 0.00 0.70 0.00 0.00 55.95 55.89 1f91 s SER 36 Cb -0.29 -1.65 0.51 0.00 -1.71 0.00 0.00 66.02 62.88 1f91 s SER 36 CO 0.36 -0.21 1.78 -0.61 1.20 0.00 0.00 173.24 175.76 1f91 h GLN 37 N 7.93 0.43 -0.46 5.44 5.75 -1.96 -2.41 115.11 129.82 1f91 h GLN 37 Ca -0.23 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.17 1f91 h GLN 37 Cb 1.06 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.54 1f91 h GLN 37 CO 0.52 0.61 0.23 1.49 -2.65 0.00 0.00 178.83 179.03 1f91 h GLU 38 N 0.39 0.45 -0.41 1.69 4.81 -1.95 0.15 114.58 119.70 1f91 h GLU 38 Ca 0.06 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1f91 h GLU 38 Cb 0.57 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1f91 h GLU 38 CO 0.04 0.30 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.40 1f91 h LEU 39 N 0.46 0.83 0.19 1.64 3.38 -1.83 -2.14 115.31 117.84 1f91 h LEU 39 Ca 0.20 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1f91 h LEU 39 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1f91 h LEU 39 CO -0.14 1.02 -0.09 0.50 0.09 0.00 0.00 178.44 179.82 1f91 h LYS 40 N 0.63 -0.25 0.00 1.13 3.64 -1.05 -2.49 116.57 118.18 1f91 h LYS 40 Ca 0.10 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1f91 h LYS 40 Cb 0.68 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1f91 h LYS 40 CO 0.05 -0.16 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.61 1f91 h ASP 41 N -0.27 0.00 1.02 4.20 3.32 -0.96 -1.11 116.42 122.61 1f91 h ASP 41 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1f91 h ASP 41 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1f91 h ASP 41 CO 0.04 0.03 0.00 0.77 -1.72 0.00 0.00 179.24 178.36 1f91 h SER 42 N 0.00 0.00 0.00 6.45 4.64 -0.93 -3.46 113.55 120.25 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1f91 h SER 42 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1f91 n GLY 43 N 0.34 0.92 3.89 -0.77 0.00 -0.42 -5.08 105.19 104.06 1f91 n GLY 43 Ca 0.03 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.60 2.80 -0.03 1.61 -1.94 -1.12 -5.00 119.30 115.02 1f91 s MET 44 Ca 0.00 0.37 0.14 0.00 -1.71 0.00 0.00 55.69 54.49 1f91 s MET 44 Cb 0.00 -2.05 -0.21 0.00 2.01 0.00 0.00 34.83 34.58 1f91 s MET 44 CO 0.00 -1.03 0.64 0.54 -0.01 0.00 0.00 175.02 175.16 1f91 n ARG 45 N -2.97 0.63 -3.09 2.03 1.74 -1.26 -4.74 116.66 109.00 1f91 n ARG 45 Ca 0.07 0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 1f91 n ARG 45 Cb 0.57 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 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 -5.93 6.56 -0.14 0.55 0.15 -1.26 -4.78 113.70 108.86 1f91 s SER 46 Ca -0.05 0.59 0.15 0.00 0.70 0.00 0.00 55.95 57.35 1f91 s SER 46 Cb 0.08 -2.34 0.44 0.00 -1.71 0.00 0.00 66.02 62.49 1f91 s SER 46 CO 0.82 -0.45 1.34 1.41 1.20 0.00 0.00 173.24 177.57 1f91 n HIS 47 N 5.84 0.70 -4.77 3.44 8.25 -1.26 -4.61 115.22 122.81 1f91 n HIS 47 Ca -0.00 -0.82 -0.29 0.00 -0.26 0.00 0.00 57.72 56.36 1f91 n HIS 47 Cb 0.49 -0.23 -0.14 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.46 2.01 0.17 1.59 -7.23 -1.26 0.84 120.40 114.06 1f91 s VAL 48 Ca 0.36 -1.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.01 1f91 s VAL 48 Cb 0.28 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1f91 s VAL 48 CO 0.09 0.29 0.43 -1.66 -0.31 0.00 0.00 175.10 173.93 1f91 s TRP 49 N -0.83 -0.01 -0.79 2.82 -2.14 -0.68 -4.45 118.94 112.85 1f91 s TRP 49 Ca 0.11 -0.33 -0.10 0.00 2.66 0.00 0.00 56.10 58.43 1f91 s TRP 49 Cb -0.10 0.24 0.21 0.00 -3.10 0.00 0.00 33.47 30.72 1f91 s TRP 49 CO 0.02 -0.81 0.70 0.20 -2.66 0.00 0.00 176.95 174.41 1f91 s GLY 50 N -2.88 2.68 0.26 3.67 0.00 -0.12 -1.29 107.32 109.65 1f91 s GLY 50 Ca 0.09 -3.38 -0.08 0.00 0.00 0.00 0.00 44.72 41.36 1f91 s GLY 50 CO -0.05 1.22 0.57 0.54 0.00 0.00 0.00 173.10 175.38 1f91 s ASN 51 N 1.55 6.56 -0.34 1.64 6.03 -1.26 -2.35 114.94 126.77 1f91 s ASN 51 Ca 0.19 0.87 -0.29 0.00 -1.03 0.00 0.00 52.86 52.60 1f91 s ASN 51 Cb -0.13 -2.21 0.02 0.00 -3.03 0.00 0.00 41.25 35.90 1f91 s ASN 51 CO -0.07 -0.14 1.07 -0.69 -2.03 0.00 0.00 177.10 175.24 1f91 s VAL 52 N -1.94 4.48 -1.33 3.54 1.01 -1.26 -4.21 120.40 120.68 1f91 s VAL 52 Ca 0.47 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.93 1f91 s VAL 52 Cb -0.11 -4.43 0.09 0.00 0.00 0.00 0.00 36.38 31.92 1f91 s VAL 52 CO 0.25 -0.55 1.86 0.29 0.00 0.00 0.00 175.10 176.95 1f91 n LYS 53 N 6.98 3.16 -3.64 2.72 4.76 -1.26 -4.87 118.16 126.02 1f91 n LYS 53 Ca 0.12 -3.18 -0.09 0.00 -2.87 0.00 0.00 58.31 52.29 1f91 n LYS 53 Cb 0.47 -3.31 -0.07 0.00 -1.84 0.00 0.00 35.03 30.29 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 2.74 -0.72 -0.32 -0.35 2.96 -1.26 -4.96 118.68 116.76 1f91 s LEU 54 Ca 0.49 1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 55.44 1f91 s LEU 54 Cb 0.07 2.20 -0.00 0.00 0.50 0.00 0.00 46.19 48.96 1f91 s LEU 54 CO 0.01 -0.21 0.67 -0.62 -1.32 0.00 0.00 176.35 174.89 1f91 s ASP 55 N 0.97 6.52 0.00 3.68 -1.08 -1.26 -4.91 116.67 120.59 1f91 s ASP 55 Ca -0.05 0.40 0.27 0.00 -0.52 0.00 0.00 52.55 52.66 1f91 s ASP 55 Cb -0.05 -2.35 0.95 0.00 -1.46 0.00 0.00 42.92 40.02 1f91 s ASP 55 CO -0.11 -0.55 1.69 0.35 0.52 0.00 0.00 175.17 177.07 1f91 n THR 56 N 5.50 0.00 -1.65 1.71 -2.24 -1.26 -4.89 114.28 111.45 1f91 n THR 56 Ca 0.00 -0.12 -0.48 0.00 -2.27 0.00 0.00 64.05 61.18 1f91 n THR 56 Cb 0.49 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1f91 n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1f91 n THR 57 N -0.63 0.04 -0.86 4.28 -1.04 -1.26 -1.67 114.28 113.14 1f91 n THR 57 Ca 0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1f91 n THR 57 Cb 0.32 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 3.22 0.49 0.02 3.41 0.00 -1.26 -4.86 105.19 106.21 1f91 n GLY 58 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.25 -4.07 0.99 4.77 -0.67 -4.78 117.00 113.49 1f91 n LEU 59 Ca 0.00 0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 1f91 n LEU 59 Cb 0.07 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 1f91 n LEU 59 CO 0.00 -0.00 -0.46 -0.63 -1.33 0.00 0.00 177.39 174.97 1f91 s ILE 60 N -3.02 0.93 0.16 -0.08 1.01 -1.26 -5.10 121.20 113.84 1f91 s ILE 60 Ca 0.13 -0.50 -0.33 0.00 0.00 0.00 0.00 60.65 59.94 1f91 s ILE 60 Cb 0.17 -0.78 -0.16 0.00 0.01 0.00 0.00 42.46 41.70 1f91 s ILE 60 CO 0.58 0.27 1.18 -0.67 0.00 0.00 0.00 174.94 176.30 1f91 n ASP 61 N 2.83 1.34 -0.35 3.58 2.03 -1.26 -4.65 116.55 120.07 1f91 n ASP 61 Ca -0.14 1.14 0.09 0.00 0.52 0.00 0.00 54.79 56.40 1f91 n ASP 61 Cb 0.56 -1.21 0.27 0.00 -0.72 0.00 0.00 41.12 40.03 1f91 n ASP 61 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1f91 h ARG 62 N 3.50 0.89 -0.07 -0.67 0.11 -1.98 -0.65 114.38 115.51 1f91 h ARG 62 Ca -0.44 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 1f91 h ARG 62 Cb 1.34 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 1f91 h ARG 62 CO 0.71 0.59 0.01 0.87 0.10 0.00 0.00 179.97 182.25 1f91 h LYS 63 N 0.91 0.09 0.06 0.08 1.79 -2.02 -2.97 116.57 114.52 1f91 h LYS 63 Ca 0.51 -0.01 -0.28 0.00 -2.18 0.00 0.00 60.65 58.69 1f91 h LYS 63 Cb 0.60 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1f91 h LYS 63 CO -0.28 0.09 -1.54 0.28 -1.08 0.00 0.00 179.45 176.93 1f91 h VAL 64 N 0.10 0.82 0.00 0.50 2.07 -1.55 -3.38 116.25 114.81 1f91 h VAL 64 Ca 0.02 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1f91 h VAL 64 Cb 0.05 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1f91 h VAL 64 CO -0.00 0.57 0.00 1.62 0.02 0.00 0.00 177.57 179.77 1f91 h VAL 65 N -0.54 0.00 0.00 2.57 3.04 -1.18 -2.75 116.25 117.39 1f91 h VAL 65 Ca -0.37 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1f91 h VAL 65 Cb 1.62 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.11 1f91 h VAL 65 CO -0.07 0.00 0.00 0.08 -1.01 0.00 0.00 177.57 176.57 1f91 h ARG 66 N 0.00 0.00 0.00 4.17 0.11 -1.71 -1.87 114.38 115.08 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 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1f91 h ARG 66 CO 0.00 0.00 -0.99 1.19 0.10 0.00 0.00 179.97 180.27 1f91 n PHE 67 N -2.76 0.19 -3.61 4.08 3.01 -1.04 -4.84 117.46 112.49 1f91 n PHE 67 Ca -0.01 0.05 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 1f91 n PHE 67 Cb 0.17 -0.35 -0.05 0.00 -0.01 0.00 0.00 39.48 39.24 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 -3.15 3.67 0.49 -1.08 -1.94 -0.71 -3.29 119.30 113.28 1f91 s MET 68 Ca 0.05 0.01 0.08 0.00 -1.71 0.00 0.00 55.69 54.12 1f91 s MET 68 Cb 0.15 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 34.21 1f91 s MET 68 CO 0.80 0.44 0.52 -1.54 -0.01 0.00 0.00 175.02 175.22 1f91 s SER 69 N -2.38 5.04 0.27 3.03 1.04 -1.26 -4.92 113.70 114.52 1f91 s SER 69 Ca 0.42 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 1f91 s SER 69 Cb -0.12 -0.11 0.42 0.00 0.10 0.00 0.00 66.02 66.31 1f91 s SER 69 CO 0.23 -0.96 1.88 0.44 0.98 0.00 0.00 173.24 175.82 1f91 h ASP 70 N 0.69 1.03 -1.01 7.02 3.32 -1.94 -0.82 116.42 124.72 1f91 h ASP 70 Ca -0.37 0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.75 1f91 h ASP 70 Cb 1.28 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.56 1f91 h ASP 70 CO 0.51 0.65 0.66 0.00 -1.72 0.00 0.00 179.24 179.34 1f91 h ALA 71 N 1.46 1.38 -0.25 3.45 0.00 -1.87 0.85 119.26 124.29 1f91 h ALA 71 Ca 0.44 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 1f91 h ALA 71 Cb 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1f91 h ALA 71 CO -0.18 0.49 -0.56 0.77 0.00 0.00 0.00 179.25 179.77 1f91 h SER 72 N 1.22 0.84 0.06 0.00 0.02 -1.68 -2.02 113.55 111.99 1f91 h SER 72 Ca 0.42 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1f91 h SER 72 Cb 0.11 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1f91 h SER 72 CO -0.16 1.23 -0.03 0.40 -1.14 0.00 0.00 176.83 177.13 1f91 h ILE 73 N 0.58 0.98 -0.59 3.27 2.04 -0.21 0.91 117.51 124.49 1f91 h ILE 73 Ca 0.01 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1f91 h ILE 73 Cb 1.15 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1f91 h ILE 73 CO 0.12 0.03 0.38 1.88 0.00 0.00 0.00 178.15 180.55 1f91 h TYR 74 N -0.12 0.71 -0.53 1.37 0.05 -0.87 -1.21 116.97 116.36 1f91 h TYR 74 Ca -0.01 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1f91 h TYR 74 Cb 0.10 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1f91 h TYR 74 CO -0.06 0.43 0.04 0.00 -1.05 0.00 0.00 178.16 177.52 1f91 h ALA 75 N 1.23 1.07 -0.21 3.88 0.00 -1.19 -1.82 119.26 122.22 1f91 h ALA 75 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1f91 h ALA 75 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1f91 h ALA 75 CO -0.07 0.59 0.07 0.35 0.00 0.00 0.00 179.25 180.19 1f91 h PHE 76 N 0.81 0.33 -0.41 0.00 3.57 -0.31 -0.17 116.94 120.77 1f91 h PHE 76 Ca 0.16 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1f91 h PHE 76 Cb 0.43 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1f91 h PHE 76 CO 0.03 0.40 0.08 -0.07 -2.23 0.00 0.00 178.31 176.51 1f91 h LEU 77 N 0.17 0.57 -0.62 0.59 3.38 -1.11 -1.04 115.31 117.25 1f91 h LEU 77 Ca 0.07 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1f91 h LEU 77 Cb 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1f91 h LEU 77 CO -0.00 0.59 -0.38 0.28 0.09 0.00 0.00 178.44 179.02 1f91 h SER 78 N 0.60 0.70 -0.17 -0.43 0.02 -1.01 -2.74 113.55 110.52 1f91 h SER 78 Ca 0.14 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 1f91 h SER 78 Cb 0.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1f91 h SER 78 CO 0.00 1.00 -0.33 -0.03 -1.14 0.00 0.00 176.83 176.33 1f91 h MET 79 N 0.55 0.68 -0.87 3.45 1.85 -0.28 -0.97 114.93 119.34 1f91 h MET 79 Ca 0.05 -0.32 0.01 0.00 -0.61 0.00 0.00 59.70 58.83 1f91 h MET 79 Cb 0.90 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.87 1f91 h MET 79 CO 0.08 0.92 0.58 0.93 -0.40 0.00 0.00 176.91 179.01 1f91 h GLU 80 N 0.57 1.15 -0.42 0.39 5.08 -1.06 -0.40 114.58 119.90 1f91 h GLU 80 Ca 0.06 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1f91 h GLU 80 Cb 0.84 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1f91 h GLU 80 CO 0.07 0.76 -0.07 1.96 -1.00 0.00 0.00 179.01 180.74 1f91 h GLN 81 N 1.18 0.78 -0.75 2.33 4.20 -1.21 -2.73 115.11 118.93 1f91 h GLN 81 Ca 0.32 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1f91 h GLN 81 Cb -0.13 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1f91 h GLN 81 CO -0.07 0.89 0.41 0.00 -0.67 0.00 0.00 178.83 179.39 1f91 h ALA 82 N 0.86 0.96 -0.39 3.87 0.00 -0.54 0.27 119.26 124.28 1f91 h ALA 82 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1f91 h ALA 82 Cb 0.59 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1f91 h ALA 82 CO 0.03 0.47 0.17 0.82 0.00 0.00 0.00 179.25 180.75 1f91 h ILE 83 N 1.03 1.18 -0.13 0.00 2.04 -1.06 0.26 117.51 120.84 1f91 h ILE 83 Ca 0.26 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1f91 h ILE 83 Cb 0.04 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1f91 h ILE 83 CO -0.04 0.20 0.03 0.00 0.00 0.00 0.00 178.15 178.33 1f91 h ALA 84 N 1.02 0.17 -0.34 1.87 0.00 -1.16 -1.64 119.26 119.18 1f91 h ALA 84 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1f91 h ALA 84 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1f91 h ALA 84 CO -0.01 -0.19 0.18 0.22 0.00 0.00 0.00 179.25 179.45 1f91 h ASP 85 N -0.00 0.40 1.44 0.00 3.58 -0.26 -1.01 116.42 120.57 1f91 h ASP 85 Ca 0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1f91 h ASP 85 Cb 0.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1f91 h ASP 85 CO 0.00 0.33 0.00 0.00 -2.88 0.00 0.00 179.24 176.69 1f91 n ALA 86 N -2.48 2.23 -2.53 -0.78 0.00 0.91 -4.75 120.51 113.10 1f91 n ALA 86 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1f91 n ALA 86 Cb 0.10 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 1.20 0.00 3.76 0.00 0.00 -0.38 -4.80 105.19 104.97 1f91 n GLY 87 Ca 0.05 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.61 4.30 0.24 0.99 1.43 -0.94 -5.06 118.68 116.02 1f91 s LEU 88 Ca 0.11 0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1f91 s LEU 88 Cb -0.05 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1f91 s LEU 88 CO 0.14 0.15 0.43 -0.94 0.23 0.00 0.00 176.35 176.36 1f91 s SER 89 N 0.10 6.37 0.26 2.29 1.04 -1.26 -4.76 113.70 117.74 1f91 s SER 89 Ca 0.19 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.98 1f91 s SER 89 Cb -0.14 -2.02 0.48 0.00 0.10 0.00 0.00 66.02 64.44 1f91 s SER 89 CO 0.07 -0.10 1.62 -0.65 0.98 0.00 0.00 173.24 175.15 1f91 h PRO 90 N 1.72 0.07 0.00 4.02 0.11 -1.99 0.42 132.00 136.35 1f91 h PRO 90 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1f91 h PRO 90 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1f91 h PRO 90 CO 0.66 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1f91 n GLU 91 N -5.41 0.42 -0.04 1.05 0.00 -1.26 -1.09 120.64 114.30 1f91 n GLU 91 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.32 1f91 n GLU 91 Cb 0.52 -1.31 -0.14 0.00 0.00 0.00 0.00 31.44 30.51 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 -0.81 2.16 0.00 -1.84 0.00 0.15 -4.70 120.51 115.47 1f91 n ALA 92 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1f91 n ALA 92 Cb 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.38 0.00 -3.21 0.00 0.18 -1.00 -4.94 117.16 105.82 1f91 n TYR 93 Ca -0.15 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.24 1f91 n TYR 93 Cb 0.76 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.66 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 -0.75 4.29 -1.48 -3.48 -0.21 -0.25 -3.99 119.66 113.79 1f91 s GLN 94 Ca 0.00 0.80 -0.12 0.00 0.02 0.00 0.00 55.36 56.06 1f91 s GLN 94 Cb 0.00 -3.28 0.06 0.00 1.00 0.00 0.00 33.01 30.79 1f91 s GLN 94 CO 0.00 0.53 1.03 0.09 -2.12 0.00 0.00 175.29 174.83 1f91 n ASN 95 N 2.06 -5.12 -4.02 5.90 3.02 0.36 -4.83 115.26 112.63 1f91 n ASN 95 Ca -0.08 -0.71 -0.31 0.00 -0.03 0.00 0.00 54.58 53.44 1f91 n ASN 95 Cb 0.51 -4.21 -0.16 0.00 -0.61 0.00 0.00 39.78 35.30 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 -3.35 3.47 0.55 6.41 3.84 -1.26 -4.94 114.94 119.66 1f91 s ASN 96 Ca 0.62 -0.91 0.37 0.00 0.21 0.00 0.00 52.86 53.15 1f91 s ASN 96 Cb -0.30 -1.31 2.00 0.00 -0.55 0.00 0.00 41.25 41.10 1f91 s ASN 96 CO 0.80 -0.13 2.13 -0.65 -2.79 0.00 0.00 177.10 176.46 1f91 h PRO 97 N 7.95 0.00 -0.37 0.43 0.11 -1.94 -1.66 132.00 136.53 1f91 h PRO 97 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1f91 h PRO 97 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 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 -2.79 2.10 -4.19 1.05 5.12 -1.26 -4.16 116.66 112.53 1f91 n ARG 98 Ca -0.02 -1.69 -0.31 0.00 -1.93 0.00 0.00 57.85 53.90 1f91 n ARG 98 Cb 0.06 -1.42 -0.16 0.00 -1.16 0.00 0.00 32.46 29.78 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 -1.52 1.80 0.16 1.55 1.01 -0.62 -0.37 120.40 122.40 1f91 s VAL 99 Ca 0.34 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1f91 s VAL 99 Cb 0.19 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 1f91 s VAL 99 CO 0.26 0.50 0.03 0.61 0.00 0.00 0.00 175.10 176.49 1f91 n GLY 100 N 4.57 3.89 3.07 4.51 0.00 -0.11 -0.39 105.19 120.72 1f91 n GLY 100 Ca -0.19 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 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 0.30 -0.27 0.99 0.20 0.10 -1.15 118.68 118.85 1f91 s LEU 101 Ca 0.04 0.56 -0.02 0.00 0.69 0.00 0.00 54.13 55.40 1f91 s LEU 101 Cb 0.00 0.78 0.09 0.00 -0.43 0.00 0.00 46.19 46.63 1f91 s LEU 101 CO 0.03 -0.18 0.08 -0.63 -0.29 0.00 0.00 176.35 175.36 1f91 s ILE 102 N 1.39 0.65 -0.07 6.68 1.01 -0.20 -2.84 121.20 127.81 1f91 s ILE 102 Ca -0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 1f91 s ILE 102 Cb -0.10 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1f91 s ILE 102 CO -0.09 -0.53 0.23 0.00 0.00 0.00 0.00 174.94 174.55 1f91 s ALA 103 N 1.75 -0.58 0.12 9.38 0.00 -1.16 -2.82 121.76 128.46 1f91 s ALA 103 Ca 0.06 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1f91 s ALA 103 Cb -0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1f91 s ALA 103 CO -0.21 -0.15 0.15 0.41 0.00 0.00 0.00 175.76 175.95 1f91 n GLY 104 N 2.49 3.11 3.21 0.00 0.00 -1.16 -3.48 105.19 109.35 1f91 n GLY 104 Ca -0.15 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.79 0.43 0.00 1.61 1.04 -1.26 -2.26 113.70 111.47 1f91 s SER 105 Ca 0.12 -1.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.13 1f91 s SER 105 Cb 0.00 0.30 -0.31 0.00 0.10 0.00 0.00 66.02 66.11 1f91 s SER 105 CO 0.08 -0.77 0.88 1.23 0.98 0.00 0.00 173.24 175.64 1f91 h GLY 106 N 2.66 0.45 0.00 7.32 0.00 -1.83 -3.41 103.07 108.25 1f91 h GLY 106 Ca -0.36 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 45.83 1f91 h GLY 106 CO 0.57 1.00 0.00 0.61 0.00 0.00 0.00 176.54 178.71 1f91 n GLY 107 N 1.73 1.61 7.00 4.60 0.00 -1.26 -4.77 105.19 114.10 1f91 n GLY 107 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.37 2.36 2.53 -0.02 0.00 -1.26 -3.99 105.19 104.44 1f91 n GLY 108 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 1.65 0.34 1.61 0.15 -1.25 -4.68 113.70 107.51 1f91 s SER 109 Ca 0.00 -2.32 0.02 0.00 0.70 0.00 0.00 55.95 54.35 1f91 s SER 109 Cb 0.00 -0.01 0.60 0.00 -1.71 0.00 0.00 66.02 64.91 1f91 s SER 109 CO 0.00 -0.23 1.99 -0.65 1.20 0.00 0.00 173.24 175.55 1f91 h PRO 110 N 6.39 0.88 -0.13 5.44 0.11 -1.92 -1.72 132.00 141.05 1f91 h PRO 110 Ca 0.13 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.23 1f91 h PRO 110 Cb 0.98 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 1f91 h PRO 110 CO 0.26 0.58 -0.15 -0.09 -0.21 0.00 0.00 178.00 178.40 1f91 h ARG 111 N 0.91 -0.18 0.00 1.05 2.43 -1.94 -0.65 114.38 116.00 1f91 h ARG 111 Ca 0.27 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1f91 h ARG 111 Cb -0.04 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1f91 h ARG 111 CO -0.07 -0.12 -0.21 0.74 -1.51 0.00 0.00 179.97 178.80 1f91 h PHE 112 N -0.19 0.00 -0.35 2.20 -1.00 -1.85 -0.87 116.94 114.88 1f91 h PHE 112 Ca 0.09 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.71 1f91 h PHE 112 Cb 0.32 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 1f91 h PHE 112 CO -0.27 0.21 -0.40 0.37 -1.61 0.00 0.00 178.31 176.61 1f91 h GLN 113 N 0.00 0.89 -0.34 1.51 5.75 -0.96 -1.03 115.11 120.93 1f91 h GLN 113 Ca -0.00 -0.49 -0.16 0.00 -0.15 0.00 0.00 58.65 57.84 1f91 h GLN 113 Cb 1.01 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.58 1f91 h GLN 113 CO 0.03 1.14 -0.43 0.28 -2.65 0.00 0.00 178.83 177.20 1f91 h VAL 114 N 0.69 1.28 -0.83 2.39 2.07 -0.98 -2.66 116.25 118.22 1f91 h VAL 114 Ca 0.05 -1.60 0.06 0.00 0.82 0.00 0.00 66.70 66.02 1f91 h VAL 114 Cb 1.00 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 1f91 h VAL 114 CO 0.10 0.53 0.51 0.15 0.02 0.00 0.00 177.57 178.87 1f91 h PHE 115 N 0.68 0.94 -0.24 1.57 3.57 -1.04 0.17 116.94 122.59 1f91 h PHE 115 Ca 0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1f91 h PHE 115 Cb 1.02 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1f91 h PHE 115 CO 0.07 0.48 0.13 0.78 -2.23 0.00 0.00 178.31 177.54 1f91 h GLY 116 N 0.93 0.35 1.47 2.40 0.00 -1.01 0.53 103.07 107.75 1f91 h GLY 116 Ca 0.36 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1f91 h GLY 116 CO -0.17 0.15 -0.25 0.00 0.00 0.00 0.00 176.54 176.27 1f91 h ALA 117 N 1.01 0.99 -0.32 3.60 0.00 -1.11 -1.33 119.26 122.09 1f91 h ALA 117 Ca 0.08 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1f91 h ALA 117 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1f91 h ALA 117 CO -0.01 0.60 -0.07 -0.44 0.00 0.00 0.00 179.25 179.32 1f91 h ASP 118 N 0.53 0.62 -0.47 0.00 3.45 -0.76 -2.38 116.42 117.40 1f91 h ASP 118 Ca 0.07 -0.36 -0.07 0.00 0.43 0.00 0.00 57.03 57.10 1f91 h ASP 118 Cb 0.72 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1f91 h ASP 118 CO 0.06 0.83 0.02 0.00 -1.57 0.00 0.00 179.24 178.58 1f91 h ALA 119 N 0.80 0.64 -0.46 3.45 0.00 -0.79 -2.90 119.26 120.01 1f91 h ALA 119 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1f91 h ALA 119 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1f91 h ALA 119 CO 0.03 0.42 0.24 1.98 0.00 0.00 0.00 179.25 181.92 1f91 h MET 120 N 0.68 0.63 -0.14 0.00 1.85 -1.21 -1.48 114.93 115.27 1f91 h MET 120 Ca 0.14 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1f91 h MET 120 Cb 0.48 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.38 1f91 h MET 120 CO 0.02 0.47 0.00 0.54 -0.40 0.00 0.00 176.91 177.54 1f91 n ARG 121 N -4.41 1.46 -2.35 0.39 1.74 -0.90 -4.15 116.66 108.44 1f91 n ARG 121 Ca 0.04 -0.70 -0.18 0.00 -0.77 0.00 0.00 57.85 56.23 1f91 n ARG 121 Cb 0.10 -1.30 0.09 0.00 -1.02 0.00 0.00 32.46 30.33 1f91 n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f91 n GLY 122 N 0.95 1.07 0.00 -0.13 0.00 -0.56 -4.97 105.19 101.55 1f91 n GLY 122 Ca 0.13 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 44.09 1f91 n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f91 n PRO 123 N -2.37 0.06 0.00 1.61 -0.04 -1.26 -2.77 135.00 130.22 1f91 n PRO 123 Ca 0.14 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1f91 n PRO 123 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1f91 n PRO 123 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1f91 n ARG 124 N -1.32 0.16 0.00 0.54 1.74 -1.26 -5.08 116.66 111.44 1f91 n ARG 124 Ca 0.02 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 1f91 n ARG 124 Cb 0.04 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1f91 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f91 n GLY 125 N -0.13 2.33 0.38 -0.13 0.00 -1.12 -1.73 105.19 104.80 1f91 n GLY 125 Ca 0.00 0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 0.60 -1.32 0.99 3.38 -1.86 -0.17 115.31 116.93 1f91 h LEU 126 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1f91 h LEU 126 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1f91 h LEU 126 CO 0.00 0.17 0.35 0.11 0.09 0.00 0.00 178.44 179.16 1f91 h LYS 127 N 0.56 0.81 -0.01 1.13 1.57 -1.73 -2.51 116.57 116.39 1f91 h LYS 127 Ca 0.58 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 59.12 1f91 h LYS 127 Cb 1.20 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1f91 h LYS 127 CO -0.34 0.58 -0.77 0.00 -0.57 0.00 0.00 179.45 178.35 1f91 h ALA 128 N 1.56 0.70 -0.41 3.86 0.00 -1.01 -3.25 119.26 120.71 1f91 h ALA 128 Ca 0.22 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1f91 h ALA 128 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1f91 h ALA 128 CO -0.04 0.90 0.03 0.28 0.00 0.00 0.00 179.25 180.42 1f91 h VAL 129 N 0.06 1.25 0.00 0.00 2.07 -1.18 -3.48 116.25 114.98 1f91 h VAL 129 Ca -0.02 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1f91 h VAL 129 Cb 1.35 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1f91 h VAL 129 CO 0.11 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.63 1f91 n GLY 130 N -0.42 -1.68 1.56 2.17 0.00 -1.09 -4.62 105.19 101.10 1f91 n GLY 130 Ca -0.00 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.92 3.92 -0.00 1.61 -0.04 -1.26 -4.37 135.00 132.93 1f91 n PRO 131 Ca 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1f91 n PRO 131 Cb 0.00 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 31.44 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 0.65 0.01 0.00 0.54 4.01 -1.26 -4.74 117.16 116.37 1f91 n TYR 132 Ca 0.22 -0.17 -0.04 0.00 -0.16 0.00 0.00 57.90 57.75 1f91 n TYR 132 Cb 0.95 -0.02 0.18 0.00 -0.31 0.00 0.00 39.34 40.14 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 0.16 1.27 -0.26 -0.72 2.07 -1.82 -3.22 116.25 113.74 1f91 h VAL 133 Ca 0.00 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1f91 h VAL 133 Cb 0.20 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1f91 h VAL 133 CO 0.00 0.42 0.11 0.58 0.02 0.00 0.00 177.57 178.70 1f91 h VAL 134 N 0.45 0.97 0.00 2.57 2.07 -1.92 0.23 116.25 120.62 1f91 h VAL 134 Ca 0.06 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1f91 h VAL 134 Cb 0.70 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1f91 h VAL 134 CO 0.05 0.05 -0.05 0.71 0.02 0.00 0.00 177.57 178.35 1f91 h THR 135 N 0.25 0.12 0.21 2.57 1.35 -1.82 0.26 112.91 115.85 1f91 h THR 135 Ca 0.11 -0.63 -0.34 0.00 -0.55 0.00 0.00 66.41 65.00 1f91 h THR 135 Cb 0.05 1.55 0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1f91 h THR 135 CO -0.09 0.05 -1.62 0.11 -0.25 0.00 0.00 175.52 173.71 1f91 h LYS 136 N 0.00 0.43 0.00 4.72 1.57 -1.35 -3.39 116.57 118.56 1f91 h LYS 136 Ca -0.00 -0.74 -0.21 0.00 -1.87 0.00 0.00 60.65 57.82 1f91 h LYS 136 Cb 0.55 0.28 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1f91 h LYS 136 CO 0.01 1.35 -1.36 0.00 -0.57 0.00 0.00 179.45 178.87 1f91 h ALA 137 N 0.18 0.66 -2.96 3.86 0.00 -0.43 -3.37 119.26 117.20 1f91 h ALA 137 Ca -0.30 -1.04 -0.55 0.00 0.00 0.00 0.00 54.91 53.01 1f91 h ALA 137 Cb 2.12 0.25 0.14 0.00 0.00 0.00 0.00 17.79 20.30 1f91 h ALA 137 CO 0.21 1.18 0.58 0.00 0.00 0.00 0.00 179.25 181.23 1f91 n MET 138 N -3.05 1.82 0.28 0.00 0.00 0.07 -3.97 117.12 112.28 1f91 n MET 138 Ca -0.10 0.66 0.16 0.00 0.00 0.00 0.00 57.70 58.43 1f91 n MET 138 Cb 0.92 -2.54 0.93 0.00 0.00 0.00 0.00 33.22 32.53 1f91 n MET 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1f91 h ALA 139 N 1.69 1.53 -0.53 3.17 0.00 -1.92 -1.96 119.26 121.25 1f91 h ALA 139 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1f91 h ALA 139 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1f91 h ALA 139 CO 0.58 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 1f91 n SER 140 N -3.76 3.66 -0.30 0.00 3.41 -1.26 -4.55 113.62 110.82 1f91 n SER 140 Ca -0.02 -2.27 0.06 0.00 -0.26 0.00 0.00 58.87 56.38 1f91 n SER 140 Cb 0.13 -0.48 0.21 0.00 -0.26 0.00 0.00 64.21 63.81 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 4.57 1.37 0.78 5.00 0.00 -1.57 -0.71 103.07 112.51 1f91 h GLY 141 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.11 1f91 h GLY 141 CO 0.14 0.02 0.63 -2.08 0.00 0.00 0.00 176.54 175.25 1f91 h VAL 142 N 0.69 1.11 0.17 4.60 2.07 -1.84 0.75 116.25 123.79 1f91 h VAL 142 Ca 0.45 -0.40 -0.30 0.00 0.82 0.00 0.00 66.70 67.27 1f91 h VAL 142 Cb 0.57 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1f91 h VAL 142 CO -0.33 0.21 -1.43 0.77 0.02 0.00 0.00 177.57 176.82 1f91 h SER 143 N 1.18 0.55 -0.70 0.57 4.64 -1.47 -3.25 113.55 115.07 1f91 h SER 143 Ca 0.41 -0.91 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1f91 h SER 143 Cb 0.11 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1f91 h SER 143 CO -0.16 1.65 0.37 0.00 -0.87 0.00 0.00 176.83 177.82 1f91 h ALA 144 N 0.05 0.89 0.00 5.18 0.00 -1.03 -0.39 119.26 123.97 1f91 h ALA 144 Ca -0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1f91 h ALA 144 Cb 1.91 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1f91 h ALA 144 CO 0.15 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1f91 n LEU 146 N -2.26 2.57 -0.30 0.00 4.32 -1.01 -4.40 117.00 115.92 1f91 n LEU 146 Ca 0.03 0.01 0.01 0.00 -0.02 0.00 0.00 56.01 56.04 1f91 n LEU 146 Cb 0.29 -0.77 0.20 0.00 -1.62 0.00 0.00 43.42 41.51 1f91 n LEU 146 CO 0.23 0.76 1.26 0.00 -1.22 0.00 0.00 177.39 178.43 1f91 h ALA 147 N -0.28 1.41 0.48 -1.18 0.00 -1.15 -2.40 119.26 116.13 1f91 h ALA 147 Ca -0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1f91 h ALA 147 Cb 1.71 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1f91 h ALA 147 CO -0.18 0.52 -0.23 1.15 0.00 0.00 0.00 179.25 180.51 1f91 h THR 148 N 1.15 0.36 -0.07 0.00 2.02 -1.76 -0.72 112.91 113.88 1f91 h THR 148 Ca 0.34 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1f91 h THR 148 Cb -0.04 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1f91 h THR 148 CO -0.09 0.06 -0.18 1.55 0.37 0.00 0.00 175.52 177.22 1f91 h PRO 149 N -0.99 0.12 -0.18 6.66 0.13 -1.76 -2.35 132.00 133.63 1f91 h PRO 149 Ca -0.07 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1f91 h PRO 149 Cb 0.59 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1f91 h PRO 149 CO 0.11 0.31 0.00 1.19 -0.23 0.00 0.00 178.00 179.37 1f91 n PHE 150 N -4.27 0.23 -3.69 1.56 3.01 -0.91 -4.92 117.46 108.48 1f91 n PHE 150 Ca -0.02 -0.12 -0.26 0.00 1.01 0.00 0.00 57.45 58.07 1f91 n PHE 150 Cb 0.28 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.81 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 0.04 -7.28 -2.49 -1.08 4.76 -0.88 -4.56 118.16 106.66 1f91 n LYS 151 Ca 0.09 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.88 1f91 n LYS 151 Cb 0.19 -5.78 -0.03 0.00 -1.84 0.00 0.00 35.03 27.57 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 -3.32 4.22 -0.81 -0.18 -1.09 -0.30 -0.49 121.20 119.23 1f91 s ILE 152 Ca 0.60 1.61 0.11 0.00 -2.23 0.00 0.00 60.65 60.73 1f91 s ILE 152 Cb -0.27 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 1f91 s ILE 152 CO 0.76 0.13 0.58 1.41 -1.23 0.00 0.00 174.94 176.59 1f91 n HIS 153 N 3.83 0.00 -0.11 3.97 8.25 -1.24 -4.87 115.22 125.04 1f91 n HIS 153 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1f91 n HIS 153 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 1.03 1.27 3.77 -1.41 0.00 0.47 -4.61 105.19 105.71 1f91 n GLY 154 Ca 0.04 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 1.65 2.76 -0.25 1.61 -7.23 -1.26 -4.84 120.40 112.84 1f91 s VAL 155 Ca 0.00 0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 60.80 1f91 s VAL 155 Cb 0.00 -3.38 0.12 0.00 0.56 0.00 0.00 36.38 33.68 1f91 s VAL 155 CO 0.00 0.08 0.29 0.21 -0.31 0.00 0.00 175.10 175.36 1f91 s ASN 156 N -0.88 1.26 0.03 4.85 2.47 -1.25 0.02 114.94 121.43 1f91 s ASN 156 Ca 0.58 -0.36 -0.29 0.00 0.42 0.00 0.00 52.86 53.21 1f91 s ASN 156 Cb -0.36 0.59 0.11 0.00 -1.45 0.00 0.00 41.25 40.14 1f91 s ASN 156 CO 0.45 -0.35 1.21 -0.72 -3.72 0.00 0.00 177.10 173.97 1f91 s TYR 157 N 2.39 -0.06 0.04 0.43 1.13 -1.13 -5.02 117.35 115.13 1f91 s TYR 157 Ca 0.09 -0.10 0.06 0.00 -1.41 0.00 0.00 57.07 55.71 1f91 s TYR 157 Cb -0.15 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1f91 s TYR 157 CO -0.22 -0.42 -0.13 -1.12 -2.51 0.00 0.00 175.55 171.15 1f91 s SER 158 N -3.00 4.13 -0.07 -0.18 0.01 -1.26 -2.97 113.70 110.37 1f91 s SER 158 Ca 0.14 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.10 1f91 s SER 158 Cb 0.03 -0.79 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1f91 s SER 158 CO -0.02 0.26 -0.14 -0.63 0.41 0.00 0.00 173.24 173.11 1f91 s ILE 159 N -0.98 3.02 -0.06 1.44 1.01 -1.26 -4.95 121.20 119.43 1f91 s ILE 159 Ca 0.16 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1f91 s ILE 159 Cb -0.11 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1f91 s ILE 159 CO 0.07 0.57 -0.11 -0.55 0.00 0.00 0.00 174.94 174.93 1f91 s SER 160 N -0.42 1.56 -0.40 3.58 0.15 -1.26 -4.18 113.70 112.72 1f91 s SER 160 Ca 0.05 -0.25 0.09 0.00 0.70 0.00 0.00 55.95 56.54 1f91 s SER 160 Cb -0.12 -0.68 0.38 0.00 -1.71 0.00 0.00 66.02 63.89 1f91 s SER 160 CO 0.02 0.03 1.27 -1.54 1.20 0.00 0.00 173.24 174.22 1f91 n SER 161 N 3.76 -1.63 0.00 5.45 3.41 -1.26 -4.91 113.62 118.44 1f91 n SER 161 Ca -0.23 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 1f91 n SER 161 Cb 0.52 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 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 -0.37 0.00 0.50 7.33 0.00 -1.26 -0.98 120.51 125.72 1f91 n ALA 162 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1f91 n ALA 162 Cb 0.82 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.57 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 4.31 0.00 -0.36 0.00 7.64 -1.26 -2.21 113.62 121.75 1f91 n SER 163 Ca 0.00 0.43 0.11 0.00 1.01 0.00 0.00 58.87 60.42 1f91 n SER 163 Cb 0.00 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.46 3.78 -0.17 -0.43 0.00 -0.16 -4.24 120.51 117.84 1f91 n ALA 164 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1f91 n ALA 164 Cb 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.43 0.00 0.30 0.00 -1.04 -0.94 -1.41 114.28 110.77 1f91 n THR 165 Ca 0.08 1.01 0.18 0.00 -2.04 0.00 0.00 64.05 63.28 1f91 n THR 165 Cb 0.43 -1.37 0.83 0.00 -1.82 0.00 0.00 70.33 68.39 1f91 n THR 165 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1f91 h SER 166 N 0.00 0.00 -0.13 8.00 4.64 -1.78 -1.88 113.55 122.40 1f91 h SER 166 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1f91 h SER 166 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1f91 h SER 166 CO 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.40 1f91 h ALA 167 N 2.04 0.24 -0.09 5.18 0.00 -1.49 -2.72 119.26 122.42 1f91 h ALA 167 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1f91 h ALA 167 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1f91 h ALA 167 CO 0.00 0.46 -0.26 0.45 0.00 0.00 0.00 179.25 179.90 1f91 h HIS 168 N 0.25 0.18 -0.62 0.00 -0.00 -0.49 -1.41 115.15 113.05 1f91 h HIS 168 Ca -0.03 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1f91 h HIS 168 Cb 1.20 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.53 1f91 h HIS 168 CO 0.10 0.42 0.29 0.00 -0.00 0.00 0.00 177.93 178.75 1f91 h ILE 170 N 0.86 1.28 -0.64 0.00 2.04 -1.13 -1.35 117.51 118.57 1f91 h ILE 170 Ca 0.21 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1f91 h ILE 170 Cb 0.14 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1f91 h ILE 170 CO -0.03 0.45 0.17 1.23 0.00 0.00 0.00 178.15 179.97 1f91 h GLY 171 N 0.63 1.09 1.45 5.37 0.00 -0.99 -1.47 103.07 109.14 1f91 h GLY 171 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1f91 h GLY 171 CO 0.06 0.62 -0.30 -0.57 0.00 0.00 0.00 176.54 176.35 1f91 h ASN 172 N 0.93 0.65 -0.69 0.19 -0.00 -0.82 -1.89 115.58 113.95 1f91 h ASN 172 Ca 0.20 -0.25 -0.00 0.00 -0.00 0.00 0.00 56.30 56.25 1f91 h ASN 172 Cb 0.34 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.45 1f91 h ASN 172 CO -0.00 0.91 0.42 0.00 -0.00 0.00 0.00 177.43 178.76 1f91 h ALA 173 N 1.13 0.88 -0.50 1.57 0.00 -0.95 -0.84 119.26 120.55 1f91 h ALA 173 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1f91 h ALA 173 Cb 0.79 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1f91 h ALA 173 CO 0.06 0.35 0.31 0.28 0.00 0.00 0.00 179.25 180.26 1f91 h VAL 174 N 0.94 1.08 -0.71 0.00 2.07 -0.86 -2.42 116.25 116.35 1f91 h VAL 174 Ca 0.25 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1f91 h VAL 174 Cb -0.03 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1f91 h VAL 174 CO -0.05 0.12 0.34 -0.33 0.02 0.00 0.00 177.57 177.67 1f91 h GLU 175 N 0.63 1.01 -0.84 1.57 5.08 -0.62 -0.72 114.58 120.69 1f91 h GLU 175 Ca 0.20 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1f91 h GLU 175 Cb -0.02 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 1f91 h GLU 175 CO -0.07 0.78 0.56 1.96 -1.00 0.00 0.00 179.01 181.23 1f91 h GLN 176 N 1.01 1.07 -0.07 2.33 1.08 -0.70 -0.81 115.11 119.01 1f91 h GLN 176 Ca 0.25 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.21 1f91 h GLN 176 Cb 0.10 -0.24 0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1f91 h GLN 176 CO -0.03 0.71 -0.65 0.82 -0.95 0.00 0.00 178.83 178.73 1f91 h ILE 177 N 1.10 1.35 0.00 2.54 2.04 -1.03 -2.16 117.51 121.35 1f91 h ILE 177 Ca 0.32 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1f91 h ILE 177 Cb -0.06 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1f91 h ILE 177 CO -0.08 0.60 -0.06 1.56 0.00 0.00 0.00 178.15 180.17 1f91 h GLN 178 N 0.18 0.00 -0.00 2.37 4.20 -0.72 0.97 115.11 122.10 1f91 h GLN 178 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1f91 h GLN 178 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1f91 h GLN 178 CO 0.13 0.06 -0.06 1.28 -0.67 0.00 0.00 178.83 179.57 1f91 n LEU 179 N -4.16 0.28 -0.17 1.46 4.77 -0.35 -4.50 117.00 114.32 1f91 n LEU 179 Ca -0.03 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1f91 n LEU 179 Cb 0.14 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1f91 n LEU 179 CO 0.32 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.02 1f91 n GLY 180 N 1.24 0.55 0.08 -0.72 0.00 0.34 -4.91 105.19 101.77 1f91 n GLY 180 Ca 0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 0.42 0.00 -4.65 1.61 1.57 -1.59 -3.48 116.57 110.45 1f91 h LYS 181 Ca -0.05 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.47 1f91 h LYS 181 Cb 0.27 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.40 1f91 h LYS 181 CO 0.07 0.69 -0.72 -0.65 -0.57 0.00 0.00 179.45 178.27 1f91 s GLN 182 N -2.73 0.67 -0.15 3.15 -1.52 -1.16 -4.73 119.66 113.19 1f91 s GLN 182 Ca -0.01 -0.99 0.15 0.00 -1.95 0.00 0.00 55.36 52.56 1f91 s GLN 182 Cb 0.09 -0.30 -0.21 0.00 -0.22 0.00 0.00 33.01 32.37 1f91 s GLN 182 CO 0.81 0.03 0.09 -0.25 -0.25 0.00 0.00 175.29 175.72 1f91 n ASP 183 N 0.87 0.93 -3.79 5.90 8.00 0.50 -4.33 116.55 124.63 1f91 n ASP 183 Ca -0.19 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 1f91 n ASP 183 Cb 0.57 0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.48 -0.03 -0.04 0.53 1.01 -0.98 -1.38 121.20 117.83 1f91 s ILE 184 Ca -0.08 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1f91 s ILE 184 Cb 0.06 -0.17 0.03 0.00 0.01 0.00 0.00 42.46 42.38 1f91 s ILE 184 CO 0.68 0.04 0.02 -0.69 0.00 0.00 0.00 174.94 174.99 1f91 s VAL 185 N 0.62 0.13 -0.26 2.92 1.01 0.01 -0.93 120.40 123.90 1f91 s VAL 185 Ca -0.05 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1f91 s VAL 185 Cb -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1f91 s VAL 185 CO -0.03 0.19 0.94 -0.36 0.00 0.00 0.00 175.10 175.84 1f91 s PHE 186 N 1.69 3.28 -0.03 5.22 0.40 -0.30 -1.78 117.98 126.46 1f91 s PHE 186 Ca -0.00 1.22 0.07 0.00 -0.60 0.00 0.00 56.93 57.61 1f91 s PHE 186 Cb -0.13 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.13 1f91 s PHE 186 CO -0.03 -0.51 -0.24 0.00 0.70 0.00 0.00 175.22 175.14 1f91 s ALA 187 N 3.12 2.03 0.00 5.36 0.00 -0.60 -1.04 121.76 130.63 1f91 s ALA 187 Ca 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1f91 s ALA 187 Cb -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1f91 s ALA 187 CO 0.09 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1f91 n GLY 188 N 2.69 -0.71 3.31 0.00 0.00 -1.13 -0.19 105.19 109.17 1f91 n GLY 188 Ca -0.16 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 0.22 3.47 -0.02 0.00 -0.60 -2.96 105.19 105.28 1f91 n GLY 189 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.72 -0.56 -0.17 -0.02 0.00 -0.96 -1.78 107.32 100.10 1f91 s GLY 190 Ca 0.26 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1f91 s GLY 190 CO -0.01 0.14 0.43 1.85 0.00 0.00 0.00 173.10 175.51 1f91 s GLU 191 N -3.75 0.44 0.71 2.90 2.56 -0.08 -4.23 118.70 117.24 1f91 s GLU 191 Ca 0.02 0.75 -0.11 0.00 0.00 0.00 0.00 54.97 55.63 1f91 s GLU 191 Cb -0.01 0.06 0.01 0.00 2.00 0.00 0.00 34.13 36.19 1f91 s GLU 191 CO -0.11 -0.13 1.09 -1.83 -0.56 0.00 0.00 175.26 173.72 1f91 s GLU 192 N 1.07 2.86 -0.21 4.30 -1.05 -1.26 -1.50 118.70 122.91 1f91 s GLU 192 Ca -0.07 0.53 0.01 0.00 -0.15 0.00 0.00 54.97 55.30 1f91 s GLU 192 Cb -0.07 -2.02 0.04 0.00 -0.44 0.00 0.00 34.13 31.65 1f91 s GLU 192 CO -0.09 -1.05 -0.12 -1.17 0.95 0.00 0.00 175.26 173.78 1f91 s LEU 193 N -5.39 2.51 0.11 1.83 2.96 -1.26 -4.69 118.68 114.74 1f91 s LEU 193 Ca 0.58 -0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 53.29 1f91 s LEU 193 Cb -0.11 -1.34 0.06 0.00 0.50 0.00 0.00 46.19 45.30 1f91 s LEU 193 CO 0.52 -0.13 0.58 0.00 -1.32 0.00 0.00 176.35 176.00 1f91 h TRP 195 N 2.30 0.00 -0.99 0.00 5.08 -1.97 -1.20 115.95 119.18 1f91 h TRP 195 Ca -0.32 0.00 0.17 0.00 1.08 0.00 0.00 58.89 59.81 1f91 h TRP 195 Cb 1.26 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.33 1f91 h TRP 195 CO 0.28 0.44 0.60 0.93 -1.28 0.00 0.00 178.44 179.41 1f91 h GLU 196 N 0.00 0.79 0.05 0.12 3.07 -1.96 -0.18 114.58 116.47 1f91 h GLU 196 Ca -0.00 -0.05 -0.27 0.00 -0.50 0.00 0.00 59.36 58.54 1f91 h GLU 196 Cb 0.79 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1f91 h GLU 196 CO 0.06 0.52 -1.45 1.98 -1.40 0.00 0.00 179.01 178.72 1f91 h MET 197 N 0.81 0.11 -0.89 2.33 4.05 -1.90 -3.40 114.93 116.04 1f91 h MET 197 Ca 0.54 -0.19 0.11 0.00 -0.28 0.00 0.00 59.70 59.89 1f91 h MET 197 Cb 0.75 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.54 1f91 h MET 197 CO -0.35 1.09 0.53 0.00 0.23 0.00 0.00 176.91 178.41 1f91 h ALA 198 N -0.26 1.32 0.00 0.39 0.00 -0.94 -2.26 119.26 117.51 1f91 h ALA 198 Ca -0.35 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1f91 h ALA 198 Cb 1.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1f91 h ALA 198 CO -0.08 0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 1f91 h GLU 200 N 0.00 0.76 -0.06 0.00 5.08 -1.61 0.17 114.58 118.91 1f91 h GLU 200 Ca -0.00 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 1f91 h GLU 200 Cb 0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1f91 h GLU 200 CO 0.00 0.69 -0.80 0.74 -1.00 0.00 0.00 179.01 178.64 1f91 h PHE 201 N 0.73 0.62 -0.39 4.33 0.04 -1.38 -3.05 116.94 117.85 1f91 h PHE 201 Ca 0.16 -0.29 -0.16 0.00 2.80 0.00 0.00 57.97 60.48 1f91 h PHE 201 Cb 0.29 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1f91 h PHE 201 CO 0.02 1.08 -0.38 0.22 -0.60 0.00 0.00 178.31 178.64 1f91 h ASP 202 N 0.29 1.00 -0.01 2.17 1.82 -0.99 -1.28 116.42 119.42 1f91 h ASP 202 Ca -0.05 -0.46 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1f91 h ASP 202 Cb 1.40 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.13 1f91 h ASP 202 CO 0.14 1.26 0.03 0.00 -1.61 0.00 0.00 179.24 179.06 1f91 h ALA 203 N 0.79 1.25 -0.33 -0.78 0.00 -0.58 0.29 119.26 119.89 1f91 h ALA 203 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f91 h ALA 203 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1f91 h ALA 203 CO 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1f91 n MET 204 N -3.39 2.26 -1.04 0.00 0.00 -1.06 -4.97 117.12 108.92 1f91 n MET 204 Ca -0.03 -2.06 -0.01 0.00 0.00 0.00 0.00 57.70 55.60 1f91 n MET 204 Cb 0.11 -1.41 -0.01 0.00 0.00 0.00 0.00 33.22 31.91 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 1.13 0.52 0.15 3.17 0.00 0.09 -4.95 105.19 105.30 1f91 n GLY 205 Ca 0.16 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.00 -2.53 4.61 0.00 -1.45 -3.47 119.26 117.42 1f91 h ALA 206 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.34 1f91 h ALA 206 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1f91 h ALA 206 CO 0.04 0.00 -0.26 -0.51 0.00 0.00 0.00 179.25 178.52 1f91 s LEU 207 N -5.18 4.18 0.32 0.00 1.43 -1.25 -1.87 118.68 116.31 1f91 s LEU 207 Ca 0.09 0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 1f91 s LEU 207 Cb 0.09 -3.34 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 1f91 s LEU 207 CO 0.61 -0.07 1.18 -0.55 0.23 0.00 0.00 176.35 177.75 1f91 s SER 208 N -2.98 6.96 0.00 2.29 0.15 -0.89 -4.56 113.70 114.67 1f91 s SER 208 Ca 0.41 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.49 1f91 s SER 208 Cb -0.11 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1f91 s SER 208 CO 0.28 -0.37 0.01 0.35 1.20 0.00 0.00 173.24 174.70 1f91 n THR 209 N 0.85 0.00 1.30 6.45 -2.24 -1.26 -4.34 114.28 115.03 1f91 n THR 209 Ca 0.00 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1f91 n THR 209 Cb 0.44 1.42 0.39 0.00 -2.10 0.00 0.00 70.33 70.47 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 -0.02 1.15 -0.80 -0.78 5.02 -1.26 -4.26 118.16 117.21 1f91 n LYS 210 Ca 0.00 -0.71 0.05 0.00 -2.02 0.00 0.00 58.31 55.63 1f91 n LYS 210 Cb 0.10 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.30 0.07 0.20 2.13 4.02 -1.26 -4.78 117.16 117.24 1f91 n TYR 211 Ca 0.14 -1.35 0.10 0.00 -0.01 0.00 0.00 57.90 56.78 1f91 n TYR 211 Cb 0.37 -0.23 0.64 0.00 -0.02 0.00 0.00 39.34 40.09 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 1.04 0.02 1.45 7.72 2.35 -1.93 -1.18 115.58 125.04 1f91 h ASN 212 Ca -0.03 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1f91 h ASN 212 Cb 1.17 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1f91 h ASN 212 CO 0.04 0.02 -0.17 0.44 -1.65 0.00 0.00 177.43 176.10 1f91 h ASP 213 N 0.03 0.00 -2.24 5.81 3.32 -1.94 -3.35 116.42 118.04 1f91 h ASP 213 Ca 0.05 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.52 1f91 h ASP 213 Cb 0.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.32 1f91 h ASP 213 CO -0.00 0.17 -0.87 0.35 -1.72 0.00 0.00 179.24 177.16 1f91 n THR 214 N -3.20 0.39 -0.28 0.35 -2.24 -0.46 -5.00 114.28 103.83 1f91 n THR 214 Ca 0.02 -4.37 0.03 0.00 -2.27 0.00 0.00 64.05 57.46 1f91 n THR 214 Cb 0.51 -1.98 0.11 0.00 -2.10 0.00 0.00 70.33 66.87 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 4.48 0.00 0.00 -0.78 0.11 -1.66 -0.90 132.00 133.25 1f91 h PRO 215 Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1f91 h PRO 215 Cb 0.81 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1f91 h PRO 215 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 1f91 n GLU 216 N -5.52 0.34 0.00 1.05 1.02 -1.26 -1.96 120.64 114.32 1f91 n GLU 216 Ca 0.12 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1f91 n GLU 216 Cb 0.42 -1.50 -0.00 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 -1.01 2.61 -0.05 3.49 5.02 -0.35 -4.71 118.16 123.16 1f91 n LYS 217 Ca 0.08 -0.42 -0.09 0.00 -2.02 0.00 0.00 58.31 55.86 1f91 n LYS 217 Cb 0.04 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.94 0.26 -1.86 7.82 0.00 -1.36 -3.37 119.26 121.68 1f91 h ALA 218 Ca 0.00 0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.32 1f91 h ALA 218 Cb 0.18 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1f91 h ALA 218 CO 0.00 -0.31 0.59 0.45 0.00 0.00 0.00 179.25 179.98 1f91 s SER 219 N -5.34 6.43 -0.41 0.00 0.15 -1.26 -4.77 113.70 108.50 1f91 s SER 219 Ca -0.13 -0.09 0.10 0.00 0.70 0.00 0.00 55.95 56.53 1f91 s SER 219 Cb 0.09 -2.45 0.33 0.00 -1.71 0.00 0.00 66.02 62.28 1f91 s SER 219 CO 0.69 -1.15 0.72 -2.11 1.20 0.00 0.00 173.24 172.60 1f91 n ARG 220 N 7.36 1.25 -1.58 5.44 1.85 -1.26 -4.62 116.66 125.10 1f91 n ARG 220 Ca 0.04 -3.58 -0.51 0.00 -1.00 0.00 0.00 57.85 52.81 1f91 n ARG 220 Cb 0.48 -1.71 -0.05 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.42 0.43 0.00 8.89 -1.04 -1.26 -0.80 114.28 120.92 1f91 n THR 221 Ca 0.25 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1f91 n THR 221 Cb 0.60 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 1.96 0.00 -2.40 -1.42 4.01 -1.26 -4.78 117.16 113.27 1f91 n TYR 222 Ca 0.17 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.50 1f91 n TYR 222 Cb 0.21 -0.13 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 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 -3.73 7.14 0.50 7.72 2.15 0.02 -1.39 116.67 129.07 1f91 s ASP 223 Ca 0.00 2.28 0.29 0.00 0.43 0.00 0.00 52.55 55.55 1f91 s ASP 223 Cb 0.00 -2.62 1.58 0.00 -0.30 0.00 0.00 42.92 41.58 1f91 s ASP 223 CO 0.00 -0.29 1.87 0.00 -0.17 0.00 0.00 175.17 176.59 1f91 h ALA 224 N 4.50 1.09 -0.32 3.66 0.00 -1.00 -2.27 119.26 124.92 1f91 h ALA 224 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1f91 h ALA 224 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1f91 h ALA 224 CO 0.71 -0.09 0.01 0.72 0.00 0.00 0.00 179.25 180.59 1f91 n HIS 225 N -2.60 1.12 -2.14 0.00 8.25 -1.26 -5.00 115.22 113.59 1f91 n HIS 225 Ca -0.02 -1.06 -0.39 0.00 -0.26 0.00 0.00 57.72 55.99 1f91 n HIS 225 Cb 0.16 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 1f91 n HIS 225 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1f91 s ARG 226 N -2.94 3.95 -0.06 -0.41 1.70 -0.86 -4.93 118.95 115.40 1f91 s ARG 226 Ca 0.44 2.03 0.11 0.00 -0.47 0.00 0.00 55.73 57.83 1f91 s ARG 226 Cb 0.36 -2.69 0.19 0.00 -0.57 0.00 0.00 34.95 32.25 1f91 s ARG 226 CO 0.07 -0.47 1.09 -0.40 -1.08 0.00 0.00 175.30 174.52 1f91 n ASP 227 N 0.02 0.99 0.00 -2.89 5.75 -1.26 -4.56 116.55 114.60 1f91 n ASP 227 Ca 0.04 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1f91 n ASP 227 Cb 0.45 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.43 3.18 3.94 6.12 0.00 -1.09 -4.08 105.19 112.84 1f91 n GLY 228 Ca 0.07 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.01 3.42 -0.32 1.61 -0.12 -0.78 -3.93 117.98 115.85 1f91 s PHE 229 Ca 0.00 0.35 -0.10 0.00 -0.05 0.00 0.00 56.93 57.13 1f91 s PHE 229 Cb 0.00 -2.05 -0.01 0.00 -0.63 0.00 0.00 43.02 40.34 1f91 s PHE 229 CO 0.00 -0.05 0.17 0.08 -0.05 0.00 0.00 175.22 175.37 1f91 s VAL 230 N -2.42 4.69 0.41 -2.49 1.01 -1.26 -2.10 120.40 118.23 1f91 s VAL 230 Ca 0.43 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1f91 s VAL 230 Cb -0.10 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 1f91 s VAL 230 CO 0.37 0.03 1.32 -0.51 0.00 0.00 0.00 175.10 176.31 1f91 s ILE 231 N 1.62 2.56 0.23 2.22 2.07 -1.26 0.53 121.20 129.17 1f91 s ILE 231 Ca 0.05 0.50 -0.06 0.00 -1.41 0.00 0.00 60.65 59.73 1f91 s ILE 231 Cb -0.17 -3.30 -0.02 0.00 0.13 0.00 0.00 42.46 39.10 1f91 s ILE 231 CO 0.07 0.08 0.29 0.00 -1.91 0.00 0.00 174.94 173.47 1f91 s ALA 232 N -1.25 0.55 0.07 1.50 0.00 -0.21 -0.94 121.76 121.48 1f91 s ALA 232 Ca 0.57 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1f91 s ALA 232 Cb -0.39 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1f91 s ALA 232 CO 0.50 -0.71 0.05 0.41 0.00 0.00 0.00 175.76 176.01 1f91 n GLY 233 N -0.33 3.83 0.00 0.00 0.00 -0.99 -4.20 105.19 103.50 1f91 n GLY 233 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.16 0.69 3.68 -0.02 0.00 -0.56 -4.44 105.19 104.70 1f91 n GLY 234 Ca 0.01 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 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 0.38 -0.14 -0.02 0.00 -0.28 -0.91 107.32 106.35 1f91 s GLY 235 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1f91 s GLY 235 CO 0.00 -0.46 0.93 -0.32 0.00 0.00 0.00 173.10 173.25 1f91 s GLY 236 N -3.00 -0.33 -0.13 0.20 0.00 -0.73 -1.60 107.32 101.72 1f91 s GLY 236 Ca 0.19 1.88 -0.14 0.00 0.00 0.00 0.00 44.72 46.66 1f91 s GLY 236 CO 0.09 1.01 0.38 -0.29 0.00 0.00 0.00 173.10 174.30 1f91 s MET 237 N -1.13 0.48 0.12 2.90 1.75 -0.58 -1.56 119.30 121.27 1f91 s MET 237 Ca -0.04 0.46 0.07 0.00 -1.25 0.00 0.00 55.69 54.93 1f91 s MET 237 Cb -0.00 0.23 -0.04 0.00 2.84 0.00 0.00 34.83 37.86 1f91 s MET 237 CO 0.03 -0.07 -0.16 0.14 -0.65 0.00 0.00 175.02 174.31 1f91 s VAL 238 N 0.04 1.46 -0.32 10.11 -7.23 0.74 -0.77 120.40 124.42 1f91 s VAL 238 Ca -0.01 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 1f91 s VAL 238 Cb -0.03 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 1f91 s VAL 238 CO 0.01 -0.30 0.27 -0.69 -0.31 0.00 0.00 175.10 174.09 1f91 s VAL 239 N -1.78 5.25 -0.22 1.32 1.01 0.49 -1.56 120.40 124.91 1f91 s VAL 239 Ca 0.08 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1f91 s VAL 239 Cb -0.07 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1f91 s VAL 239 CO 0.04 0.06 0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1f91 s VAL 240 N 1.85 4.87 0.02 2.92 1.01 -0.74 -1.65 120.40 128.68 1f91 s VAL 240 Ca 0.09 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1f91 s VAL 240 Cb -0.17 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1f91 s VAL 240 CO 0.11 0.38 0.26 -1.83 0.00 0.00 0.00 175.10 174.01 1f91 s GLU 241 N 1.02 0.70 0.33 2.72 -1.05 -0.17 -0.81 118.70 121.44 1f91 s GLU 241 Ca 0.05 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.14 1f91 s GLU 241 Cb -0.14 0.30 -0.11 0.00 -0.44 0.00 0.00 34.13 33.74 1f91 s GLU 241 CO 0.03 -0.21 1.56 -1.91 0.95 0.00 0.00 175.26 175.69 1f91 n GLU 242 N 0.89 2.71 0.02 -4.83 0.00 -0.48 -1.46 120.64 117.49 1f91 n GLU 242 Ca -0.20 0.96 -0.10 0.00 0.00 0.00 0.00 57.16 57.82 1f91 n GLU 242 Cb 0.58 -2.73 -0.04 0.00 0.00 0.00 0.00 31.44 29.26 1f91 n GLU 242 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1f91 h LEU 243 N 4.06 -0.73 -0.99 4.31 5.85 -1.51 -1.41 115.31 124.90 1f91 h LEU 243 Ca -0.49 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1f91 h LEU 243 Cb 1.23 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 42.51 1f91 h LEU 243 CO 0.73 -0.30 0.64 -0.33 -0.34 0.00 0.00 178.44 178.84 1f91 h GLU 244 N -0.33 1.15 -0.72 1.25 4.39 -1.92 0.21 114.58 118.61 1f91 h GLU 244 Ca 0.09 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1f91 h GLU 244 Cb 0.45 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1f91 h GLU 244 CO -0.28 0.76 0.36 1.25 -1.16 0.00 0.00 179.01 179.95 1f91 h HIS 245 N 1.18 1.02 -0.41 4.33 2.76 -1.85 -0.69 115.15 121.49 1f91 h HIS 245 Ca 0.42 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.44 1f91 h HIS 245 Cb 0.12 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1f91 h HIS 245 CO -0.01 0.75 -0.17 0.00 -1.30 0.00 0.00 177.93 177.20 1f91 h ALA 246 N 1.18 0.57 -0.43 5.26 0.00 -0.17 -3.03 119.26 122.65 1f91 h ALA 246 Ca 0.25 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1f91 h ALA 246 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1f91 h ALA 246 CO -0.03 0.51 0.00 -0.07 0.00 0.00 0.00 179.25 179.66 1f91 h LEU 247 N 0.65 0.73 -0.95 0.00 3.38 -0.78 -0.61 115.31 117.74 1f91 h LEU 247 Ca 0.09 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1f91 h LEU 247 Cb 0.72 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1f91 h LEU 247 CO 0.05 0.86 0.61 0.00 0.09 0.00 0.00 178.44 180.05 1f91 h ALA 248 N 0.90 1.30 -0.40 1.53 0.00 -1.12 -1.60 119.26 119.87 1f91 h ALA 248 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f91 h ALA 248 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1f91 h ALA 248 CO 0.02 0.41 0.00 2.89 0.00 0.00 0.00 179.25 182.58 1f91 n ARG 249 N -4.53 2.01 -3.53 0.00 1.85 -1.15 -4.94 116.66 106.37 1f91 n ARG 249 Ca 0.14 -1.55 -0.20 0.00 -1.00 0.00 0.00 57.85 55.23 1f91 n ARG 249 Cb 0.16 -1.36 0.08 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 1.21 -0.44 3.84 2.89 0.00 -0.60 -4.98 105.19 107.11 1f91 n GLY 250 Ca 0.15 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.36 2.98 -0.13 4.61 0.00 -0.27 -5.02 121.76 120.57 1f91 s ALA 251 Ca 0.26 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.09 1f91 s ALA 251 Cb -0.11 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1f91 s ALA 251 CO 0.74 -0.55 0.87 -1.58 0.00 0.00 0.00 175.76 175.24 1f91 s HIS 252 N -2.77 3.47 -0.31 0.00 5.65 -1.26 -4.87 115.29 115.20 1f91 s HIS 252 Ca 0.59 1.36 -0.09 0.00 0.25 0.00 0.00 55.06 57.17 1f91 s HIS 252 Cb -0.12 -3.04 -0.00 0.00 -1.18 0.00 0.00 32.58 28.24 1f91 s HIS 252 CO 0.40 -0.19 0.13 0.42 -0.65 0.00 0.00 174.74 174.85 1f91 s ILE 253 N 1.92 4.38 -0.03 0.89 1.01 -1.26 -4.38 121.20 123.73 1f91 s ILE 253 Ca 0.41 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 1f91 s ILE 253 Cb -0.17 -3.25 -0.19 0.00 0.01 0.00 0.00 42.46 38.85 1f91 s ILE 253 CO 0.15 0.06 1.16 1.88 0.00 0.00 0.00 174.94 178.19 1f91 h TYR 254 N 8.31 -0.08 -2.04 3.97 0.05 -1.61 -3.46 116.97 122.12 1f91 h TYR 254 Ca -0.32 -0.00 0.23 0.00 0.05 0.00 0.00 58.73 58.69 1f91 h TYR 254 Cb 1.14 0.02 -0.10 0.00 1.01 0.00 0.00 36.73 38.81 1f91 h TYR 254 CO 0.63 0.42 0.60 0.00 -1.05 0.00 0.00 178.16 178.76 1f91 s ALA 255 N -4.07 -1.85 -0.08 3.88 0.00 -1.25 -4.65 121.76 113.75 1f91 s ALA 255 Ca -0.15 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1f91 s ALA 255 Cb 0.01 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1f91 s ALA 255 CO 0.62 -1.04 0.01 -2.00 0.00 0.00 0.00 175.76 173.36 1f91 s GLU 256 N -2.99 2.98 -0.45 0.00 2.12 0.01 -1.19 118.70 119.17 1f91 s GLU 256 Ca 0.13 -0.42 -0.24 0.00 0.36 0.00 0.00 54.97 54.80 1f91 s GLU 256 Cb 0.01 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.63 1f91 s GLU 256 CO 0.00 0.70 0.81 0.42 -0.54 0.00 0.00 175.26 176.65 1f91 s ILE 257 N -0.92 4.61 -1.79 -3.70 1.01 -0.37 -1.03 121.20 119.02 1f91 s ILE 257 Ca 0.14 0.50 0.17 0.00 0.00 0.00 0.00 60.65 61.46 1f91 s ILE 257 Cb -0.11 -4.35 0.05 0.00 0.01 0.00 0.00 42.46 38.06 1f91 s ILE 257 CO 0.04 -0.74 0.95 1.33 0.00 0.00 0.00 174.94 176.51 1f91 n VAL 258 N 6.20 0.00 -3.66 2.92 0.24 -0.53 -4.58 118.33 118.92 1f91 n VAL 258 Ca 0.03 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 1f91 n VAL 258 Cb 0.48 1.26 -0.08 0.00 -1.47 0.00 0.00 33.84 34.03 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 -1.81 -0.50 -0.12 7.63 0.00 -1.14 -4.74 107.32 106.65 1f91 s GLY 259 Ca 0.16 1.90 -0.04 0.00 0.00 0.00 0.00 44.72 46.74 1f91 s GLY 259 CO 0.36 1.73 0.19 -0.47 0.00 0.00 0.00 173.10 174.91 1f91 s TYR 260 N 0.68 -0.23 -0.02 1.90 5.04 -1.26 -0.94 117.35 122.53 1f91 s TYR 260 Ca -0.03 0.59 0.07 0.00 -2.44 0.00 0.00 57.07 55.26 1f91 s TYR 260 Cb -0.05 -0.25 -0.02 0.00 0.35 0.00 0.00 41.96 41.99 1f91 s TYR 260 CO -0.04 -0.36 -0.23 0.20 -1.34 0.00 0.00 175.55 173.78 1f91 s GLY 261 N 2.32 1.35 -0.20 8.97 0.00 -0.37 -4.48 107.32 114.91 1f91 s GLY 261 Ca 0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 1f91 s GLY 261 CO -0.08 -0.93 0.21 0.00 0.00 0.00 0.00 173.10 172.30 1f91 s ALA 262 N -0.67 -0.19 0.43 3.20 0.00 -1.26 -1.21 121.76 122.06 1f91 s ALA 262 Ca 0.11 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1f91 s ALA 262 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1f91 s ALA 262 CO -0.00 -1.22 0.11 0.95 0.00 0.00 0.00 175.76 175.60 1f91 s THR 263 N 2.30 0.72 0.01 0.00 -4.23 -0.85 -4.98 115.64 108.61 1f91 s THR 263 Ca 0.06 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1f91 s THR 263 Cb -0.16 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 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 -3.65 0.99 0.04 3.99 0.15 -1.26 -1.28 113.70 112.68 1f91 s SER 264 Ca 0.21 -0.26 -0.16 0.00 0.70 0.00 0.00 55.95 56.44 1f91 s SER 264 Cb 0.03 -0.07 -0.34 0.00 -1.71 0.00 0.00 66.02 63.92 1f91 s SER 264 CO 0.13 0.03 1.03 0.44 1.20 0.00 0.00 173.24 176.06 1f91 h ASP 265 N 5.53 0.86 -6.06 5.45 3.32 -0.84 -3.44 116.42 121.26 1f91 h ASP 265 Ca -0.32 -0.89 -0.43 0.00 0.02 0.00 0.00 57.03 55.41 1f91 h ASP 265 Cb 1.19 -0.28 0.06 0.00 0.22 0.00 0.00 39.33 40.51 1f91 h ASP 265 CO 0.47 1.69 -0.76 0.61 -1.72 0.00 0.00 179.24 179.54 1f91 n GLY 266 N 1.63 -0.45 0.00 2.75 0.00 -1.26 -4.87 105.19 103.00 1f91 n GLY 266 Ca -0.16 0.18 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 -4.61 1.89 -2.63 4.61 0.00 -1.26 -5.14 120.51 113.37 1f91 n ALA 267 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1f91 n ALA 267 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 4.77 0.23 0.00 2.15 -1.26 -5.04 116.67 118.52 1f91 s ASP 268 Ca 0.00 -0.17 0.09 0.00 0.43 0.00 0.00 52.55 52.90 1f91 s ASP 268 Cb 0.00 -1.11 0.20 0.00 -0.30 0.00 0.00 42.92 41.71 1f91 s ASP 268 CO 0.00 0.24 1.52 0.24 -0.17 0.00 0.00 175.17 177.00 1f91 h MET 269 N 4.08 0.02 0.00 4.34 2.86 -1.99 -3.33 114.93 120.91 1f91 h MET 269 Ca -0.48 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1f91 h MET 269 Cb 1.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1f91 h MET 269 CO 0.56 0.73 -1.09 0.28 1.06 0.00 0.00 176.91 178.45 1f91 n VAL 270 N -3.69 0.03 -4.64 -2.22 0.31 -1.26 -0.71 118.33 106.14 1f91 n VAL 270 Ca -0.01 -0.05 -0.31 0.00 -0.01 0.00 0.00 64.34 63.96 1f91 n VAL 270 Cb 0.70 0.04 -0.12 0.00 -0.91 0.00 0.00 33.84 33.55 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 -2.10 2.66 0.55 3.52 0.00 -1.26 -4.85 121.76 120.29 1f91 s ALA 271 Ca -0.01 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 1f91 s ALA 271 Cb 0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1f91 s ALA 271 CO 0.07 0.58 1.05 -1.25 0.00 0.00 0.00 175.76 176.21 1f91 s PRO 272 N -1.39 3.51 0.03 0.00 0.04 -1.26 -4.37 135.00 131.55 1f91 s PRO 272 Ca 0.15 1.23 0.22 0.00 0.04 0.00 0.00 61.00 62.65 1f91 s PRO 272 Cb -0.11 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1f91 s PRO 272 CO 0.05 -0.66 0.96 -1.13 0.04 0.00 0.00 177.00 176.26 1f91 n SER 273 N -1.68 0.62 0.00 6.66 3.41 -1.26 -4.95 113.62 116.42 1f91 n SER 273 Ca 0.09 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1f91 n SER 273 Cb 0.53 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 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 1.39 1.55 0.24 5.00 0.00 -1.26 -4.71 105.19 107.39 1f91 n GLY 274 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.78 -0.21 1.61 4.22 -1.93 -1.40 114.58 117.65 1f91 h GLU 275 Ca 0.00 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.28 1f91 h GLU 275 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1f91 h GLU 275 CO 0.00 0.52 -0.36 0.78 -2.18 0.00 0.00 179.01 177.77 1f91 h GLY 276 N 0.80 0.48 1.24 1.92 0.00 -1.85 -2.77 103.07 102.89 1f91 h GLY 276 Ca 0.22 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1f91 h GLY 276 CO -0.05 0.40 0.00 0.00 0.00 0.00 0.00 176.54 176.90 1f91 h ALA 277 N 1.25 0.99 -0.16 3.60 0.00 -1.83 -0.44 119.26 122.67 1f91 h ALA 277 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1f91 h ALA 277 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1f91 h ALA 277 CO 0.06 0.62 0.08 0.28 0.00 0.00 0.00 179.25 180.29 1f91 h VAL 278 N 0.85 1.12 -0.60 0.00 2.07 -1.04 -0.80 116.25 117.85 1f91 h VAL 278 Ca 0.16 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1f91 h VAL 278 Cb 0.50 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1f91 h VAL 278 CO 0.02 0.11 0.15 0.03 0.02 0.00 0.00 177.57 177.90 1f91 h ARG 279 N 0.14 0.93 -0.12 1.57 3.08 -1.32 -1.49 114.38 117.16 1f91 h ARG 279 Ca 0.06 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1f91 h ARG 279 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1f91 h ARG 279 CO -0.01 0.83 0.05 0.00 -1.07 0.00 0.00 179.97 179.77 1f91 h MET 281 N 0.05 0.98 -0.73 0.00 2.86 -1.05 -1.89 114.93 115.15 1f91 h MET 281 Ca 0.04 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1f91 h MET 281 Cb 0.16 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1f91 h MET 281 CO -0.00 0.93 0.26 0.87 1.06 0.00 0.00 176.91 180.03 1f91 h LYS 282 N 0.87 1.10 -0.45 1.72 1.57 -1.15 -1.79 116.57 118.45 1f91 h LYS 282 Ca 0.18 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1f91 h LYS 282 Cb 0.44 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1f91 h LYS 282 CO 0.01 0.92 0.01 1.98 -0.57 0.00 0.00 179.45 181.80 1f91 h MET 283 N 1.07 0.72 0.00 3.15 4.05 -0.91 -2.25 114.93 120.76 1f91 h MET 283 Ca 0.24 -0.18 -0.07 0.00 -0.28 0.00 0.00 59.70 59.41 1f91 h MET 283 Cb 0.25 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1f91 h MET 283 CO -0.01 0.73 -0.33 0.00 0.23 0.00 0.00 176.91 177.52 1f91 h ALA 284 N 1.34 0.93 -0.00 0.39 0.00 -0.81 -3.08 119.26 118.03 1f91 h ALA 284 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1f91 h ALA 284 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1f91 h ALA 284 CO 0.01 0.41 -0.53 -1.33 0.00 0.00 0.00 179.25 177.82 1f91 n MET 285 N -3.39 0.04 -1.69 0.00 2.00 -0.72 -4.11 117.12 109.25 1f91 n MET 285 Ca 0.01 -0.02 -0.44 0.00 0.00 0.00 0.00 57.70 57.24 1f91 n MET 285 Cb 0.53 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.21 1f91 n MET 285 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 1f91 n HIS 286 N -1.46 2.49 0.00 2.03 -0.00 -0.88 -0.60 115.22 116.80 1f91 n HIS 286 Ca 0.06 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1f91 n HIS 286 Cb 0.34 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.56 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 3.94 2.54 3.53 1.57 0.00 -1.26 -4.92 105.19 110.58 1f91 n GLY 287 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.18 4.38 -0.33 1.61 1.01 0.24 -4.91 120.40 120.21 1f91 s VAL 288 Ca 0.00 0.40 0.23 0.00 0.00 0.00 0.00 61.98 62.61 1f91 s VAL 288 Cb 0.00 -4.54 0.31 0.00 0.00 0.00 0.00 36.38 32.16 1f91 s VAL 288 CO 0.00 -1.08 1.64 -2.24 0.00 0.00 0.00 175.10 173.42 1f91 h ASP 289 N 9.29 0.00 -3.43 3.32 -0.00 -1.94 -3.46 116.42 120.20 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 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.40 1f91 h ASP 289 CO 1.08 0.06 -0.01 0.42 -0.00 0.00 0.00 179.24 180.79 1f91 s THR 290 N -3.25 4.92 0.70 1.15 -4.23 -1.26 -5.08 115.64 108.59 1f91 s THR 290 Ca 0.06 0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1f91 s THR 290 Cb 0.06 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1f91 s THR 290 CO 0.66 -0.47 1.07 -2.16 -0.54 0.00 0.00 174.62 173.19 1f91 s PRO 291 N -3.82 2.93 -0.29 3.99 0.04 -1.26 -5.01 135.00 131.59 1f91 s PRO 291 Ca 0.47 0.70 -0.23 0.00 0.04 0.00 0.00 61.00 61.98 1f91 s PRO 291 Cb -0.10 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1f91 s PRO 291 CO 0.32 -1.04 0.76 0.42 0.04 0.00 0.00 177.00 177.50 1f91 s ILE 292 N -3.19 4.84 0.05 0.56 -1.09 -1.26 -4.52 121.20 116.60 1f91 s ILE 292 Ca 0.58 1.21 -0.01 0.00 -2.23 0.00 0.00 60.65 60.20 1f91 s ILE 292 Cb -0.12 -4.10 -0.26 0.00 -1.58 0.00 0.00 42.46 36.40 1f91 s ILE 292 CO 0.54 -0.17 1.05 0.44 -1.23 0.00 0.00 174.94 175.57 1f91 h ASP 293 N 8.01 0.30 -3.83 3.58 3.32 -1.11 -3.40 116.42 123.30 1f91 h ASP 293 Ca -0.25 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.28 1f91 h ASP 293 Cb 1.10 -0.10 -0.25 0.00 0.22 0.00 0.00 39.33 40.30 1f91 h ASP 293 CO 0.86 1.29 -0.40 -0.47 -1.72 0.00 0.00 179.24 178.80 1f91 s TYR 294 N -2.65 -0.30 -0.16 4.55 5.04 -1.16 -2.47 117.35 120.21 1f91 s TYR 294 Ca -0.05 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1f91 s TYR 294 Cb 0.08 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.51 1f91 s TYR 294 CO 0.86 -0.14 -0.14 -1.17 -1.34 0.00 0.00 175.55 173.61 1f91 s LEU 295 N 0.15 1.83 -0.78 6.97 0.20 0.27 -1.09 118.68 126.22 1f91 s LEU 295 Ca -0.00 -0.57 -0.19 0.00 0.69 0.00 0.00 54.13 54.07 1f91 s LEU 295 Cb -0.02 -1.22 0.13 0.00 -0.43 0.00 0.00 46.19 44.65 1f91 s LEU 295 CO 0.00 -0.06 0.94 0.21 -0.29 0.00 0.00 176.35 177.15 1f91 s ASN 296 N 1.45 6.45 0.96 3.68 3.84 0.79 -3.09 114.94 129.03 1f91 s ASN 296 Ca 0.04 -1.80 -0.11 0.00 0.21 0.00 0.00 52.86 51.20 1f91 s ASN 296 Cb -0.13 -2.35 0.17 0.00 -0.55 0.00 0.00 41.25 38.39 1f91 s ASN 296 CO -0.11 -1.07 1.09 -0.94 -2.79 0.00 0.00 177.10 173.28 1f91 s SER 297 N 3.43 2.74 0.09 -4.21 1.04 -1.21 -1.86 113.70 113.72 1f91 s SER 297 Ca 0.23 1.68 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 1f91 s SER 297 Cb -0.13 -2.31 -0.19 0.00 0.10 0.00 0.00 66.02 63.49 1f91 s SER 297 CO -0.02 -3.13 1.23 -0.74 0.98 0.00 0.00 173.24 171.56 1f91 h HIS 298 N -1.89 0.94 -0.30 5.02 2.76 -1.93 -3.44 115.15 116.32 1f91 h HIS 298 Ca -0.51 -0.50 0.00 0.00 -2.20 0.00 0.00 60.37 57.16 1f91 h HIS 298 Cb 1.29 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1f91 h HIS 298 CO 0.41 1.33 0.00 0.41 -1.30 0.00 0.00 177.93 178.78 1f91 n GLY 299 N 1.01 0.00 0.33 5.26 0.00 -1.26 -4.82 105.19 105.71 1f91 n GLY 299 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.24 2.61 -2.24 -1.26 -4.57 114.28 106.75 1f91 n THR 300 Ca 0.00 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1f91 n THR 300 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.27 -1.93 -4.74 3.42 2.88 -1.26 -3.94 113.62 107.78 1f91 n SER 301 Ca 0.18 -0.02 -0.31 0.00 -1.33 0.00 0.00 58.87 57.38 1f91 n SER 301 Cb 0.31 -1.07 -0.07 0.00 -0.75 0.00 0.00 64.21 62.64 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 -2.43 4.38 0.10 2.46 -4.23 -1.26 -2.67 115.64 112.00 1f91 s THR 302 Ca 0.02 -0.76 -0.31 0.00 -1.18 0.00 0.00 61.69 59.46 1f91 s THR 302 Cb -0.01 -3.08 -0.12 0.00 1.34 0.00 0.00 72.50 70.63 1f91 s THR 302 CO 0.03 0.18 1.50 -0.65 -0.54 0.00 0.00 174.62 175.13 1f91 h PRO 303 N 3.53 -0.54 -0.02 3.99 0.11 -1.93 -2.81 132.00 134.33 1f91 h PRO 303 Ca -0.47 0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1f91 h PRO 303 Cb 1.17 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1f91 h PRO 303 CO 0.63 -0.36 -0.14 0.28 -0.21 0.00 0.00 178.00 178.20 1f91 h VAL 304 N -0.56 1.51 -0.39 3.15 2.07 -1.98 -3.37 116.25 116.67 1f91 h VAL 304 Ca 0.02 -1.69 0.08 0.00 0.82 0.00 0.00 66.70 65.94 1f91 h VAL 304 Cb 0.63 2.56 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 1f91 h VAL 304 CO -0.36 0.46 -0.20 1.23 0.02 0.00 0.00 177.57 178.72 1f91 h GLY 305 N -0.49 0.08 0.67 2.17 0.00 -1.96 -2.25 103.07 101.29 1f91 h GLY 305 Ca -0.01 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.64 1f91 h GLY 305 CO 0.03 -0.20 0.46 -0.55 0.00 0.00 0.00 176.54 176.28 1f91 h ASP 306 N -0.13 0.70 0.26 0.19 3.32 -1.67 -2.66 116.42 116.44 1f91 h ASP 306 Ca 0.19 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.06 1f91 h ASP 306 Cb 0.42 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1f91 h ASP 306 CO -0.47 0.44 -0.85 -0.37 -1.72 0.00 0.00 179.24 176.26 1f91 h VAL 307 N 0.83 1.38 -0.63 -1.35 -1.51 -1.67 -2.24 116.25 111.06 1f91 h VAL 307 Ca 0.35 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.53 1f91 h VAL 307 Cb 0.21 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 1f91 h VAL 307 CO -0.19 0.69 0.40 0.11 -1.23 0.00 0.00 177.57 177.35 1f91 h LYS 308 N 0.27 0.84 -0.31 5.19 1.79 -1.23 -0.35 116.57 122.78 1f91 h LYS 308 Ca -0.06 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 1f91 h LYS 308 Cb 1.47 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1f91 h LYS 308 CO 0.15 0.58 -0.24 1.49 -1.08 0.00 0.00 179.45 180.35 1f91 h GLU 309 N 0.85 0.59 -0.34 3.15 4.81 -1.47 -1.60 114.58 120.58 1f91 h GLU 309 Ca 0.23 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1f91 h GLU 309 Cb -0.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1f91 h GLU 309 CO -0.05 0.78 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.79 1f91 h LEU 310 N 0.52 0.60 -0.36 1.64 3.38 -0.81 -0.45 115.31 119.83 1f91 h LEU 310 Ca 0.08 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1f91 h LEU 310 Cb 0.69 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1f91 h LEU 310 CO 0.05 0.78 -0.17 0.00 0.09 0.00 0.00 178.44 179.19 1f91 h ALA 311 N 1.28 0.51 -0.94 1.53 0.00 -0.78 -1.19 119.26 119.68 1f91 h ALA 311 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1f91 h ALA 311 Cb 0.59 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1f91 h ALA 311 CO 0.04 0.44 0.59 0.00 0.00 0.00 0.00 179.25 180.32 1f91 h ALA 312 N 0.80 1.19 -0.64 0.00 0.00 -0.96 -1.49 119.26 118.16 1f91 h ALA 312 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1f91 h ALA 312 Cb 0.71 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1f91 h ALA 312 CO 0.05 0.62 0.10 0.82 0.00 0.00 0.00 179.25 180.84 1f91 h ILE 313 N 1.28 1.26 -0.31 0.00 2.04 -0.84 -1.89 117.51 119.05 1f91 h ILE 313 Ca 0.34 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1f91 h ILE 313 Cb -0.10 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1f91 h ILE 313 CO -0.07 0.38 0.17 0.03 0.00 0.00 0.00 178.15 178.66 1f91 h ARG 314 N 0.98 0.42 -0.83 2.37 3.08 -0.48 -1.77 114.38 118.16 1f91 h ARG 314 Ca 0.20 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1f91 h ARG 314 Cb 0.43 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1f91 h ARG 314 CO 0.01 0.36 0.44 0.93 -1.07 0.00 0.00 179.97 180.63 1f91 h GLU 315 N 0.38 1.17 -0.05 0.04 4.39 -1.06 0.58 114.58 120.02 1f91 h GLU 315 Ca 0.11 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1f91 h GLU 315 Cb 0.05 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1f91 h GLU 315 CO -0.02 0.87 -0.36 0.28 -1.16 0.00 0.00 179.01 178.63 1f91 h VAL 316 N 1.17 1.44 0.00 3.13 2.07 -1.21 -3.36 116.25 119.49 1f91 h VAL 316 Ca 0.29 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1f91 h VAL 316 Cb 0.06 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1f91 h VAL 316 CO -0.04 0.52 -1.42 0.49 0.02 0.00 0.00 177.57 177.14 1f91 n PHE 317 N -4.40 0.21 0.00 1.57 3.01 -0.68 -5.03 117.46 112.15 1f91 n PHE 317 Ca -0.09 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1f91 n PHE 317 Cb 0.53 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.32 1.02 0.02 1.37 0.00 0.20 -1.63 105.19 107.49 1f91 n GLY 318 Ca -0.00 0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.58 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 10.74 0.11 -2.48 1.61 10.43 -1.26 -4.45 116.55 131.24 1f91 n ASP 319 Ca 0.00 -0.01 -0.29 0.00 2.57 0.00 0.00 54.79 57.06 1f91 n ASP 319 Cb 0.00 1.83 -0.00 0.00 1.84 0.00 0.00 41.12 44.78 1f91 n ASP 319 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1f91 n LYS 320 N -2.27 2.42 -2.28 -1.24 5.02 -0.64 -4.99 118.16 114.18 1f91 n LYS 320 Ca -0.03 -2.61 -0.40 0.00 -2.02 0.00 0.00 58.31 53.24 1f91 n LYS 320 Cb 0.56 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1f91 n LYS 320 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f91 s SER 321 N -0.28 7.00 1.00 4.39 1.04 -1.26 -4.91 113.70 120.69 1f91 s SER 321 Ca 0.53 2.49 -0.16 0.00 0.48 0.00 0.00 55.95 59.30 1f91 s SER 321 Cb 0.39 -2.64 0.21 0.00 0.10 0.00 0.00 66.02 64.08 1f91 s SER 321 CO -0.21 -0.35 1.25 -2.16 0.98 0.00 0.00 173.24 172.74 1f91 s PRO 322 N -1.61 0.33 0.32 4.02 0.04 -1.26 -4.83 135.00 132.01 1f91 s PRO 322 Ca 0.47 -0.23 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 1f91 s PRO 322 Cb -0.36 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1f91 s PRO 322 CO 0.47 -2.65 1.20 0.00 0.04 0.00 0.00 177.00 176.06 1f91 s ALA 323 N -3.60 3.40 0.02 8.56 0.00 -1.03 -4.46 121.76 124.65 1f91 s ALA 323 Ca 0.72 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.78 1f91 s ALA 323 Cb -0.07 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1f91 s ALA 323 CO 0.53 -0.42 -0.12 0.42 0.00 0.00 0.00 175.76 176.17 1f91 s ILE 324 N -1.20 0.96 -0.24 0.00 1.01 0.98 -0.57 121.20 122.14 1f91 s ILE 324 Ca 0.48 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 1f91 s ILE 324 Cb -0.35 -0.86 0.07 0.00 0.01 0.00 0.00 42.46 41.33 1f91 s ILE 324 CO 0.46 0.04 0.69 -0.94 0.00 0.00 0.00 174.94 175.19 1f91 s SER 325 N -0.89 -0.72 -0.39 3.58 1.04 -1.18 -0.25 113.70 114.90 1f91 s SER 325 Ca 0.01 1.34 -0.09 0.00 0.48 0.00 0.00 55.95 57.69 1f91 s SER 325 Cb -0.07 1.34 0.06 0.00 0.10 0.00 0.00 66.02 67.45 1f91 s SER 325 CO 0.01 -0.27 0.21 0.00 0.98 0.00 0.00 173.24 174.16 1f91 s ALA 326 N 0.23 3.23 -0.29 5.32 0.00 -1.26 -3.32 121.76 125.66 1f91 s ALA 326 Ca -0.01 -1.95 0.26 0.00 0.00 0.00 0.00 51.96 50.26 1f91 s ALA 326 Cb -0.04 -2.55 1.13 0.00 0.00 0.00 0.00 23.12 21.66 1f91 s ALA 326 CO 0.02 -1.51 1.78 1.79 0.00 0.00 0.00 175.76 177.83 1f91 h THR 327 N 6.05 0.00 0.00 0.00 1.35 -1.86 -2.80 112.91 115.66 1f91 h THR 327 Ca -0.23 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1f91 h THR 327 Cb 1.09 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1f91 h THR 327 CO 0.70 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 176.08 1f91 h LYS 328 N 0.00 0.00 0.00 4.72 1.57 -1.82 0.12 116.57 121.16 1f91 h LYS 328 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1f91 h LYS 328 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1f91 h LYS 328 CO 0.00 0.00 -0.27 0.00 -0.57 0.00 0.00 179.45 178.61 1f91 h ALA 329 N 2.05 1.27 0.03 3.86 0.00 -1.75 0.25 119.26 124.97 1f91 h ALA 329 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 54.31 1f91 h ALA 329 Cb 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1f91 h ALA 329 CO 0.00 0.33 -1.99 -1.33 0.00 0.00 0.00 179.25 176.27 1f91 n MET 330 N -3.81 0.63 0.02 0.00 2.81 -0.08 -4.63 117.12 112.06 1f91 n MET 330 Ca -0.01 0.35 -0.16 0.00 -1.81 0.00 0.00 57.70 56.07 1f91 n MET 330 Cb 0.36 -1.63 -0.14 0.00 -0.71 0.00 0.00 33.22 31.10 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 -0.62 0.88 0.00 2.03 1.35 -1.28 0.15 112.91 115.42 1f91 h THR 331 Ca -0.51 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 1f91 h THR 331 Cb 1.64 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.63 1f91 h THR 331 CO -0.19 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1f91 n GLY 332 N 1.74 0.37 3.42 5.82 0.00 0.87 -4.51 105.19 112.89 1f91 n GLY 332 Ca -0.22 -2.01 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.25 3.04 -1.46 1.61 2.46 0.19 -4.64 115.29 115.23 1f91 s HIS 333 Ca 0.00 -0.71 0.04 0.00 0.47 0.00 0.00 55.06 54.86 1f91 s HIS 333 Cb 0.00 -3.70 0.15 0.00 -0.13 0.00 0.00 32.58 28.90 1f91 s HIS 333 CO 0.00 -1.12 0.94 -1.13 -2.47 0.00 0.00 174.74 170.96 1f91 n SER 334 N 6.19 1.34 0.00 9.88 3.41 -1.26 -1.05 113.62 132.14 1f91 n SER 334 Ca -0.08 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1f91 n SER 334 Cb 0.44 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.03 0.00 0.27 1.04 4.77 -1.26 -1.54 117.00 120.31 1f91 n LEU 335 Ca 0.05 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1f91 n LEU 335 Cb 0.27 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.11 1f91 n LEU 335 CO 0.05 0.00 1.09 1.23 -1.33 0.00 0.00 177.39 178.43 1f91 h GLY 336 N 0.00 0.00 0.87 -0.72 0.00 -1.86 -1.99 103.07 99.37 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 -0.62 0.00 0.00 0.00 0.00 176.54 175.92 1f91 n ALA 337 N -2.46 3.60 -0.14 3.60 0.00 -0.59 -2.79 120.51 121.74 1f91 n ALA 337 Ca -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 1f91 n ALA 337 Cb 0.10 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 2.90 0.49 -0.17 0.00 0.00 -1.42 -1.97 119.26 119.09 1f91 h ALA 338 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1f91 h ALA 338 Cb 0.55 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1f91 h ALA 338 CO 0.00 -0.32 -0.23 0.78 0.00 0.00 0.00 179.25 179.48 1f91 h GLY 339 N 0.22 -0.20 1.55 0.00 0.00 -1.75 -0.23 103.07 102.66 1f91 h GLY 339 Ca 0.22 0.28 -0.21 0.00 0.00 0.00 0.00 47.33 47.62 1f91 h GLY 339 CO -0.29 -0.19 -0.85 -0.24 0.00 0.00 0.00 176.54 174.96 1f91 h VAL 340 N -0.27 1.39 -0.49 4.60 3.04 -1.72 -2.71 116.25 120.08 1f91 h VAL 340 Ca 0.11 -2.32 -0.04 0.00 -1.01 0.00 0.00 66.70 63.44 1f91 h VAL 340 Cb 0.44 2.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.99 1f91 h VAL 340 CO -0.32 0.70 0.15 1.56 -1.01 0.00 0.00 177.57 178.64 1f91 h GLN 341 N 0.26 0.77 0.00 4.17 4.20 -1.16 -1.23 115.11 122.12 1f91 h GLN 341 Ca -0.06 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1f91 h GLN 341 Cb 1.47 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 1f91 h GLN 341 CO 0.15 0.72 -0.22 0.93 -0.67 0.00 0.00 178.83 179.74 1f91 h GLU 342 N 0.67 0.00 -0.22 1.46 5.08 -1.10 -0.34 114.58 120.13 1f91 h GLU 342 Ca 0.16 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 1f91 h GLU 342 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1f91 h GLU 342 CO -0.00 0.22 -0.58 0.00 -1.00 0.00 0.00 179.01 177.65 1f91 h ALA 343 N 1.78 0.56 -0.51 3.43 0.00 -1.12 -1.96 119.26 121.44 1f91 h ALA 343 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1f91 h ALA 343 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1f91 h ALA 343 CO 0.03 0.69 -0.09 0.82 0.00 0.00 0.00 179.25 180.70 1f91 h ILE 344 N 0.54 1.27 -0.57 0.00 2.04 -0.54 -0.03 117.51 120.22 1f91 h ILE 344 Ca 0.00 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1f91 h ILE 344 Cb 1.16 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1f91 h ILE 344 CO 0.12 0.43 0.17 1.88 0.00 0.00 0.00 178.15 180.75 1f91 h TYR 345 N 0.81 0.88 -0.44 1.37 0.05 -1.00 -1.16 116.97 117.49 1f91 h TYR 345 Ca 0.13 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.70 1f91 h TYR 345 Cb 0.64 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1f91 h TYR 345 CO 0.05 0.72 -0.28 0.77 -1.05 0.00 0.00 178.16 178.36 1f91 h SER 346 N 0.84 1.02 0.04 3.88 0.02 -1.05 -1.78 113.55 116.52 1f91 h SER 346 Ca 0.19 -0.42 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 1f91 h SER 346 Cb 0.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1f91 h SER 346 CO -0.01 1.22 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.57 1f91 h LEU 347 N 0.82 0.36 -0.48 5.07 3.38 -0.64 -1.44 115.31 122.38 1f91 h LEU 347 Ca 0.09 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1f91 h LEU 347 Cb 0.87 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1f91 h LEU 347 CO 0.08 0.63 -0.49 -0.07 0.09 0.00 0.00 178.44 178.68 1f91 h LEU 348 N 0.32 0.76 -0.70 1.67 3.38 -1.02 0.57 115.31 120.28 1f91 h LEU 348 Ca 0.05 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1f91 h LEU 348 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1f91 h LEU 348 CO 0.05 1.12 -0.02 0.24 0.09 0.00 0.00 178.44 179.91 1f91 h MET 349 N 0.55 0.98 -0.29 1.13 2.86 -1.03 -0.84 114.93 118.29 1f91 h MET 349 Ca 0.03 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.25 1f91 h MET 349 Cb 1.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1f91 h MET 349 CO 0.10 0.98 -0.23 1.25 1.06 0.00 0.00 176.91 180.07 1f91 h LEU 350 N 0.89 0.70 -0.73 1.22 5.85 -1.08 -0.31 115.31 121.85 1f91 h LEU 350 Ca 0.16 -0.45 -0.12 0.00 0.84 0.00 0.00 57.88 58.31 1f91 h LEU 350 Cb 0.55 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1f91 h LEU 350 CO 0.03 1.01 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.77 1f91 h GLU 351 N 0.41 0.65 -0.50 1.25 4.57 -0.78 -3.25 114.58 116.93 1f91 h GLU 351 Ca 0.05 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1f91 h GLU 351 Cb 0.79 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1f91 h GLU 351 CO 0.06 0.86 0.00 0.72 -1.18 0.00 0.00 179.01 179.47 1f91 n HIS 352 N -4.09 0.67 -3.40 0.92 8.25 -0.33 -5.02 115.22 112.21 1f91 n HIS 352 Ca -0.01 -0.45 -0.17 0.00 -0.26 0.00 0.00 57.72 56.84 1f91 n HIS 352 Cb 0.45 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.58 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 1.10 -1.16 3.49 -1.41 0.00 -0.19 -4.93 105.19 102.09 1f91 n GLY 353 Ca 0.18 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.22 -0.49 -0.23 1.61 -0.12 -0.83 -1.95 117.98 112.76 1f91 s PHE 354 Ca 0.24 0.53 -0.02 0.00 -0.05 0.00 0.00 56.93 57.62 1f91 s PHE 354 Cb -0.06 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.84 1f91 s PHE 354 CO 0.81 -0.63 -0.07 0.42 -0.05 0.00 0.00 175.22 175.70 1f91 s ILE 355 N -2.57 2.98 0.40 -4.49 1.01 0.24 -4.54 121.20 114.23 1f91 s ILE 355 Ca -0.01 -0.78 -0.26 0.00 0.00 0.00 0.00 60.65 59.59 1f91 s ILE 355 Cb -0.01 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 1f91 s ILE 355 CO -0.04 0.34 1.28 0.00 0.00 0.00 0.00 174.94 176.51 1f91 s ALA 356 N 1.39 3.26 0.55 9.38 0.00 -1.26 -1.97 121.76 133.10 1f91 s ALA 356 Ca 0.03 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1f91 s ALA 356 Cb -0.15 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1f91 s ALA 356 CO -0.05 -0.75 1.04 -1.25 0.00 0.00 0.00 175.76 174.75 1f91 s PRO 357 N -2.20 3.57 -0.64 0.00 0.04 -1.26 -4.79 135.00 129.71 1f91 s PRO 357 Ca 0.56 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 1f91 s PRO 357 Cb -0.37 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.25 1f91 s PRO 357 CO 0.47 -0.60 0.66 0.45 0.04 0.00 0.00 177.00 178.02 1f91 s SER 358 N -2.58 6.35 0.85 6.66 0.15 0.47 -4.74 113.70 120.86 1f91 s SER 358 Ca 0.64 -1.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 1f91 s SER 358 Cb -0.15 -2.25 0.13 0.00 -1.71 0.00 0.00 66.02 62.04 1f91 s SER 358 CO 0.30 -0.88 1.20 0.27 1.20 0.00 0.00 173.24 175.33 1f91 s ILE 359 N 1.65 2.05 -1.56 6.45 -4.36 -1.26 -4.48 121.20 119.69 1f91 s ILE 359 Ca 0.11 -0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 1f91 s ILE 359 Cb -0.22 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.51 1f91 s ILE 359 CO 0.00 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.77 1f91 n ASN 360 N -3.40 -5.03 -4.35 4.36 3.02 -1.26 -4.50 115.26 104.09 1f91 n ASN 360 Ca 0.11 0.10 -0.45 0.00 -0.03 0.00 0.00 54.58 54.31 1f91 n ASN 360 Cb 0.60 -4.10 -0.05 0.00 -0.61 0.00 0.00 39.78 35.62 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 -2.79 5.07 -0.09 2.41 1.01 -1.26 -4.73 121.20 120.82 1f91 s ILE 361 Ca 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 60.65 59.57 1f91 s ILE 361 Cb 0.00 -4.35 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 1f91 s ILE 361 CO 0.00 -0.90 0.48 -0.62 0.00 0.00 0.00 174.94 173.90 1f91 n GLU 362 N 5.65 0.66 -3.54 2.79 1.02 -1.26 -4.81 120.64 121.14 1f91 n GLU 362 Ca -0.12 0.23 -0.20 0.00 -0.02 0.00 0.00 57.16 57.05 1f91 n GLU 362 Cb 0.42 -1.72 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 1f91 n GLU 362 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1f91 s GLU 363 N -2.57 0.14 0.15 3.49 2.12 -1.26 -5.07 118.70 115.69 1f91 s GLU 363 Ca -0.08 0.17 -0.31 0.00 0.36 0.00 0.00 54.97 55.11 1f91 s GLU 363 Cb 0.07 -1.28 -0.08 0.00 0.26 0.00 0.00 34.13 33.11 1f91 s GLU 363 CO 0.81 -0.62 1.33 -1.17 -0.54 0.00 0.00 175.26 175.07 1f91 s LEU 364 N 2.27 4.39 0.39 2.70 2.96 -1.26 -0.39 118.68 129.74 1f91 s LEU 364 Ca 0.05 2.32 -0.27 0.00 -0.22 0.00 0.00 54.13 56.01 1f91 s LEU 364 Cb -0.15 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.83 1f91 s LEU 364 CO -0.11 -0.57 1.42 -0.67 -1.32 0.00 0.00 176.35 175.10 1f91 n ASP 365 N 3.34 3.40 -0.23 3.68 -0.08 -0.49 -4.72 116.55 121.45 1f91 n ASP 365 Ca 0.09 1.20 0.04 0.00 -1.51 0.00 0.00 54.79 54.60 1f91 n ASP 365 Cb 0.43 -1.58 0.15 0.00 2.34 0.00 0.00 41.12 42.46 1f91 n ASP 365 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1f91 h GLU 366 N 2.68 0.19 0.00 -0.67 5.08 -1.93 -0.88 114.58 119.05 1f91 h GLU 366 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1f91 h GLU 366 Cb 1.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1f91 h GLU 366 CO 0.63 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 179.80 1f91 n GLN 367 N -5.22 0.01 0.00 2.33 6.02 -1.26 -1.50 117.38 117.76 1f91 n GLN 367 Ca 0.12 0.34 0.12 0.00 -0.01 0.00 0.00 57.00 57.57 1f91 n GLN 367 Cb 0.43 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.48 3.50 -1.66 -1.58 0.00 -0.34 -4.91 120.51 114.03 1f91 n ALA 368 Ca 0.02 -0.51 -0.45 0.00 0.00 0.00 0.00 53.44 52.51 1f91 n ALA 368 Cb 0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.63 0.94 0.00 0.00 0.00 -0.56 -2.36 120.51 117.90 1f91 n ALA 369 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1f91 n ALA 369 Cb 0.39 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 1.81 3.00 3.86 0.00 0.00 -1.26 -5.04 105.19 107.56 1f91 n GLY 370 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 4.00 -1.32 0.99 1.43 -1.00 -4.98 118.68 117.80 1f91 s LEU 371 Ca 0.00 1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 54.19 1f91 s LEU 371 Cb 0.00 -4.05 0.11 0.00 0.03 0.00 0.00 46.19 42.28 1f91 s LEU 371 CO 0.00 -0.26 1.85 -3.20 0.23 0.00 0.00 176.35 174.97 1f91 n ASN 372 N -0.63 4.76 -4.54 2.29 5.15 -1.26 -4.93 115.26 116.09 1f91 n ASN 372 Ca 0.03 -2.97 -0.43 0.00 -0.60 0.00 0.00 54.58 50.62 1f91 n ASN 372 Cb 0.53 -1.60 -0.06 0.00 -0.53 0.00 0.00 39.78 38.12 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 2.20 4.79 -0.16 -1.44 1.01 -1.26 -0.01 121.20 126.33 1f91 s ILE 373 Ca 0.45 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 61.19 1f91 s ILE 373 Cb 0.07 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1f91 s ILE 373 CO -0.01 -0.54 1.33 -0.69 0.00 0.00 0.00 174.94 175.03 1f91 s VAL 374 N 2.93 4.16 -1.73 2.92 1.01 0.66 -4.92 120.40 125.43 1f91 s VAL 374 Ca 0.26 1.40 0.17 0.00 0.00 0.00 0.00 61.98 63.80 1f91 s VAL 374 Cb -0.14 -3.92 0.31 0.00 0.00 0.00 0.00 36.38 32.64 1f91 s VAL 374 CO 0.19 -0.14 1.23 0.35 0.00 0.00 0.00 175.10 176.72 1f91 n THR 375 N 5.44 0.54 -3.69 3.92 -2.24 -1.26 -0.40 114.28 116.60 1f91 n THR 375 Ca 0.15 -0.77 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1f91 n THR 375 Cb 0.45 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.19 0.63 -0.06 -0.78 -1.05 -1.26 -4.60 118.70 110.40 1f91 s GLU 376 Ca 0.28 0.77 -0.40 0.00 -0.15 0.00 0.00 54.97 55.47 1f91 s GLU 376 Cb 0.16 0.30 -0.19 0.00 -0.44 0.00 0.00 34.13 33.96 1f91 s GLU 376 CO 0.23 -0.08 1.22 2.41 0.95 0.00 0.00 175.26 179.99 1f91 n THR 377 N 2.86 0.01 -4.49 1.83 -1.04 -1.26 -4.63 114.28 107.56 1f91 n THR 377 Ca -0.14 -0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.64 1f91 n THR 377 Cb 0.56 -0.29 -0.16 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.63 0.98 0.08 12.58 2.01 -0.83 -4.97 115.64 126.12 1f91 s THR 378 Ca 0.92 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 1f91 s THR 378 Cb -1.22 -0.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 1f91 s THR 378 CO 0.58 0.32 0.77 -1.81 -0.69 0.00 0.00 174.62 173.79 1f91 s ASP 379 N 0.66 7.27 -0.22 3.53 1.01 -1.26 0.79 116.67 128.45 1f91 s ASP 379 Ca -0.13 1.51 -0.28 0.00 0.71 0.00 0.00 52.55 54.35 1f91 s ASP 379 Cb -0.15 -2.48 0.14 0.00 1.01 0.00 0.00 42.92 41.45 1f91 s ASP 379 CO 0.03 0.08 1.10 -0.60 0.21 0.00 0.00 175.17 175.99 1f91 s ARG 380 N -0.40 0.44 -0.35 8.23 3.52 -0.82 -4.91 118.95 124.66 1f91 s ARG 380 Ca 0.38 0.21 -0.26 0.00 -0.13 0.00 0.00 55.73 55.92 1f91 s ARG 380 Cb -0.21 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.40 1f91 s ARG 380 CO 0.24 -0.12 0.95 -1.21 -0.81 0.00 0.00 175.30 174.35 1f91 s GLU 381 N -0.73 3.92 0.11 5.12 2.02 -1.26 -2.96 118.70 124.92 1f91 s GLU 381 Ca 0.02 0.71 0.02 0.00 0.02 0.00 0.00 54.97 55.74 1f91 s GLU 381 Cb -0.02 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1f91 s GLU 381 CO -0.03 -0.90 0.22 -0.51 0.02 0.00 0.00 175.26 174.06 1f91 s LEU 382 N 3.46 4.25 0.00 1.80 1.43 -1.26 -5.00 118.68 123.36 1f91 s LEU 382 Ca 0.39 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1f91 s LEU 382 Cb -0.12 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1f91 s LEU 382 CO 0.17 0.11 0.00 0.41 0.23 0.00 0.00 176.35 177.27 1f91 n THR 383 N -0.13 0.00 -4.13 5.49 -1.04 -1.26 -4.87 114.28 108.34 1f91 n THR 383 Ca -0.06 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.69 1f91 n THR 383 Cb 0.53 -0.40 -0.17 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.62 1.00 0.13 12.58 2.01 -1.26 -0.93 115.64 127.56 1f91 s THR 384 Ca 0.00 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.77 1f91 s THR 384 Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1f91 s THR 384 CO 0.00 0.35 -0.22 0.68 -0.69 0.00 0.00 174.62 174.74 1f91 s VAL 385 N 1.33 1.94 0.08 3.82 -7.23 0.03 -0.38 120.40 119.99 1f91 s VAL 385 Ca -0.02 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 1f91 s VAL 385 Cb -0.14 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1f91 s VAL 385 CO -0.04 -0.08 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.16 1f91 s MET 386 N -2.22 1.10 -0.03 4.82 -2.45 -0.25 -0.58 119.30 119.70 1f91 s MET 386 Ca 0.12 -1.05 -0.01 0.00 -1.25 0.00 0.00 55.69 53.50 1f91 s MET 386 Cb -0.09 -1.28 0.03 0.00 1.25 0.00 0.00 34.83 34.75 1f91 s MET 386 CO 0.06 0.30 0.05 0.45 1.05 0.00 0.00 175.02 176.93 1f91 s SER 387 N -1.67 0.59 -0.01 1.11 0.15 -0.45 -0.15 113.70 113.27 1f91 s SER 387 Ca 0.05 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.75 1f91 s SER 387 Cb -0.10 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1f91 s SER 387 CO 0.03 -0.19 0.15 0.20 1.20 0.00 0.00 173.24 174.63 1f91 s ASN 388 N 1.63 6.12 -0.13 5.45 0.01 -0.78 -1.99 114.94 125.24 1f91 s ASN 388 Ca -0.02 0.27 -0.04 0.00 -0.71 0.00 0.00 52.86 52.36 1f91 s ASN 388 Cb -0.12 -1.87 0.06 0.00 0.41 0.00 0.00 41.25 39.73 1f91 s ASN 388 CO -0.03 0.27 0.19 -0.44 -1.51 0.00 0.00 177.10 175.58 1f91 s SER 389 N -1.87 0.98 -0.09 -1.22 0.01 -0.25 -3.59 113.70 107.68 1f91 s SER 389 Ca 0.26 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1f91 s SER 389 Cb -0.12 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.46 1f91 s SER 389 CO 0.17 -0.28 -0.15 -0.36 0.41 0.00 0.00 173.24 173.03 1f91 s PHE 390 N 2.31 1.88 0.46 2.43 0.08 -1.26 -0.67 117.98 123.21 1f91 s PHE 390 Ca 0.04 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.32 1f91 s PHE 390 Cb -0.13 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 1f91 s PHE 390 CO -0.08 -0.40 0.08 0.20 -0.10 0.00 0.00 175.22 174.91 1f91 s GLY 391 N 0.81 2.64 0.76 4.36 0.00 0.31 -4.56 107.32 111.64 1f91 s GLY 391 Ca -0.11 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 42.97 1f91 s GLY 391 CO 0.02 -2.08 1.23 -1.36 0.00 0.00 0.00 173.10 170.91 1f91 s PHE 392 N -2.75 1.88 0.00 1.90 2.99 -1.26 -2.60 117.98 118.14 1f91 s PHE 392 Ca 0.26 1.62 0.00 0.00 0.00 0.00 0.00 56.93 58.81 1f91 s PHE 392 Cb 0.05 -3.55 0.00 0.00 0.00 0.00 0.00 43.02 39.52 1f91 s PHE 392 CO 0.14 -2.88 0.00 0.41 -0.00 0.00 0.00 175.22 172.89 1f91 n GLY 393 N 0.61 0.67 3.27 4.36 0.00 0.11 -4.00 105.19 110.22 1f91 n GLY 393 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.63 -0.54 3.70 -0.02 0.00 -1.07 -4.68 105.19 99.96 1f91 n GLY 394 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.24 5.32 0.03 2.61 -1.32 -1.11 -0.17 115.64 117.76 1f91 s THR 395 Ca 0.43 0.41 0.08 0.00 -1.21 0.00 0.00 61.69 61.40 1f91 s THR 395 Cb -0.19 -3.58 -0.03 0.00 -1.51 0.00 0.00 72.50 67.19 1f91 s THR 395 CO 0.53 0.37 -0.24 0.20 -2.21 0.00 0.00 174.62 173.26 1f91 s ASN 396 N 0.69 2.88 -0.06 8.08 0.01 -0.40 -0.53 114.94 125.61 1f91 s ASN 396 Ca 0.13 -0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 51.68 1f91 s ASN 396 Cb -0.13 -0.26 0.02 0.00 0.41 0.00 0.00 41.25 41.28 1f91 s ASN 396 CO 0.03 0.23 0.17 0.00 -1.51 0.00 0.00 177.10 176.02 1f91 s ALA 397 N -0.76 -0.41 -0.01 0.60 0.00 0.16 -2.00 121.76 119.34 1f91 s ALA 397 Ca 0.10 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1f91 s ALA 397 Cb -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1f91 s ALA 397 CO 0.01 -0.08 0.01 0.99 0.00 0.00 0.00 175.76 176.70 1f91 s THR 398 N 0.10 -0.02 -0.03 0.00 2.01 -0.35 -1.09 115.64 116.26 1f91 s THR 398 Ca -0.00 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.17 1f91 s THR 398 Cb -0.01 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 1f91 s THR 398 CO 0.00 0.05 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.98 1f91 s LEU 399 N 0.54 2.04 -0.12 4.42 1.43 -0.84 -1.23 118.68 124.91 1f91 s LEU 399 Ca -0.05 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1f91 s LEU 399 Cb -0.07 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.93 1f91 s LEU 399 CO -0.01 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 175.95 1f91 s VAL 400 N -0.41 1.82 0.01 -1.59 1.01 -0.11 -1.34 120.40 119.79 1f91 s VAL 400 Ca 0.05 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1f91 s VAL 400 Cb -0.10 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1f91 s VAL 400 CO 0.00 0.50 -0.22 -0.04 0.00 0.00 0.00 175.10 175.35 1f91 s MET 401 N 0.82 1.63 0.00 2.72 -1.94 0.25 -1.46 119.30 121.32 1f91 s MET 401 Ca -0.09 -0.88 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 1f91 s MET 401 Cb -0.16 -1.66 -0.01 0.00 2.01 0.00 0.00 34.83 35.01 1f91 s MET 401 CO -0.00 0.44 -0.06 0.50 -0.01 0.00 0.00 175.02 175.89 1f91 s ARG 402 N -0.86 0.46 0.50 2.03 3.52 -0.19 -0.79 118.95 123.62 1f91 s ARG 402 Ca 0.08 -0.28 -0.23 0.00 -0.13 0.00 0.00 55.73 55.17 1f91 s ARG 402 Cb -0.09 -0.42 -0.07 0.00 -1.56 0.00 0.00 34.95 32.82 1f91 s ARG 402 CO 0.01 0.11 1.30 1.63 -0.81 0.00 0.00 175.30 177.54 1f91 n LYS 403 N 2.72 1.76 -3.51 5.12 5.02 -0.11 -0.81 118.16 128.35 1f91 n LYS 403 Ca -0.14 0.64 -0.28 0.00 -2.02 0.00 0.00 58.31 56.51 1f91 n LYS 403 Cb 0.58 -2.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 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 -2.67 4.14 0.60 -0.35 2.96 -1.26 -4.81 118.68 117.30 1f91 s LEU 404 Ca 0.67 0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 54.97 1f91 s LEU 404 Cb -0.45 -3.35 -0.07 0.00 0.50 0.00 0.00 46.19 42.82 1f91 s LEU 404 CO 0.53 -0.12 0.61 0.29 -1.32 0.00 0.00 176.35 176.33 1f91 n LYS 405 N -0.81 0.54 -0.68 1.98 4.01 -1.26 -5.11 118.16 116.83 1f91 n LYS 405 Ca -0.03 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1f91 n LYS 405 Cb 0.54 -1.81 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1f91 n LYS 405 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82