#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0e n PRO -3 N 0.00 2.32 -2.79 5.55 -0.02 -1.26 -5.01 135.00 133.79 2p0e n PRO -3 Ca 0.00 0.82 -0.20 0.00 -2.02 0.00 0.00 63.50 62.09 2p0e n PRO -3 Cb 0.00 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.03 2p0e n PRO -3 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2p0e s ARG -2 N -1.42 2.68 0.00 -0.52 0.52 -1.26 -4.72 118.95 114.23 2p0e s ARG -2 Ca 0.59 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 2p0e s ARG -2 Cb -0.55 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2p0e s ARG -2 CO 0.58 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.76 2p0e n GLY -1 N -2.19 2.07 0.01 -3.53 0.00 -1.26 -4.96 105.19 95.33 2p0e n GLY -1 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2p0e n GLY -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p0e n SER 0 N 0.00 0.27 -4.77 1.61 3.41 -1.26 -4.08 113.62 108.80 2p0e n SER 0 Ca 0.00 -0.20 -0.38 0.00 -0.26 0.00 0.00 58.87 58.03 2p0e n SER 0 Cb 0.00 1.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 2p0e n SER 0 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2p0e s LYS 1 N -3.39 4.26 0.06 4.33 1.02 -1.26 -5.02 119.74 119.74 2p0e s LYS 1 Ca -0.04 1.71 -0.03 0.00 0.02 0.00 0.00 55.97 57.63 2p0e s LYS 1 Cb 0.14 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2p0e s LYS 1 CO 0.89 -0.10 0.03 0.95 -0.92 0.00 0.00 175.35 176.20 2p0e s THR 2 N -1.43 0.20 -0.15 2.17 -4.23 -1.26 -4.22 115.64 106.71 2p0e s THR 2 Ca 0.54 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2p0e s THR 2 Cb -0.28 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.09 2p0e s THR 2 CO 0.35 -0.89 -0.11 0.12 -0.54 0.00 0.00 174.62 173.55 2p0e s PHE 3 N -3.91 2.04 -0.17 3.99 5.36 -0.29 -4.98 117.98 120.01 2p0e s PHE 3 Ca 0.07 -1.18 -0.00 0.00 -0.96 0.00 0.00 56.93 54.86 2p0e s PHE 3 Cb 0.07 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 2p0e s PHE 3 CO -0.10 -0.65 -0.14 0.42 -1.46 0.00 0.00 175.22 173.30 2p0e s ILE 4 N 1.53 2.70 -0.13 3.12 1.01 -1.26 -1.72 121.20 126.45 2p0e s ILE 4 Ca 0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2p0e s ILE 4 Cb -0.14 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2p0e s ILE 4 CO -0.10 0.50 -0.05 -0.63 0.00 0.00 0.00 174.94 174.67 2p0e s ILE 5 N 1.04 3.84 -0.18 2.92 1.01 -0.04 -0.04 121.20 129.75 2p0e s ILE 5 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2p0e s ILE 5 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2p0e s ILE 5 CO -0.03 0.53 0.07 -0.83 0.00 0.00 0.00 174.94 174.67 2p0e s GLY 6 N 0.01 1.93 -0.27 6.18 0.00 -0.10 -0.38 107.32 114.69 2p0e s GLY 6 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.01 2p0e s GLY 6 CO 0.03 0.01 -0.05 -0.42 0.00 0.00 0.00 173.10 172.67 2p0e s ILE 7 N 0.23 1.87 0.05 0.90 1.01 -0.24 -0.75 121.20 124.28 2p0e s ILE 7 Ca 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.10 2p0e s ILE 7 Cb -0.12 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2p0e s ILE 7 CO 0.00 -0.20 0.02 -0.24 0.00 0.00 0.00 174.94 174.52 2p0e n SER 8 N 4.51 1.69 0.00 3.58 2.88 0.08 -1.65 113.62 124.72 2p0e n SER 8 Ca -0.09 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 2p0e n SER 8 Cb 0.43 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2p0e n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2p0e n GLY 9 N 4.36 3.10 3.70 0.46 0.00 -1.26 -0.86 105.19 114.69 2p0e n GLY 9 Ca -0.01 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2p0e n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p0e s VAL 10 N -2.00 2.35 0.45 1.61 0.11 -0.75 -4.39 120.40 117.78 2p0e s VAL 10 Ca 0.00 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 58.94 2p0e s VAL 10 Cb 0.00 -2.27 -0.10 0.00 -1.53 0.00 0.00 36.38 32.48 2p0e s VAL 10 CO 0.00 -0.15 0.87 1.07 -3.33 0.00 0.00 175.10 173.57 2p0e n THR 11 N -4.00 2.45 -3.31 5.04 5.66 -1.26 -3.11 114.28 115.75 2p0e n THR 11 Ca 0.11 -0.50 -0.24 0.00 -3.05 0.00 0.00 64.05 60.37 2p0e n THR 11 Cb 0.52 -0.99 0.04 0.00 -1.55 0.00 0.00 70.33 68.35 2p0e n THR 11 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2p0e n ASN 12 N 0.50 -5.61 -0.76 1.09 4.13 -1.26 -4.91 115.26 108.45 2p0e n ASN 12 Ca 0.11 -0.42 0.09 0.00 1.68 0.00 0.00 54.58 56.04 2p0e n ASN 12 Cb 0.41 -4.51 0.09 0.00 -1.54 0.00 0.00 39.78 34.23 2p0e n ASN 12 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2p0e n SER 13 N -2.63 2.62 0.00 6.41 3.41 -1.18 -4.95 113.62 117.30 2p0e n SER 13 Ca -0.05 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 2p0e n SER 13 Cb 0.58 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2p0e n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p0e n GLY 14 N 1.03 1.11 0.14 5.00 0.00 -1.26 -4.78 105.19 106.43 2p0e n GLY 14 Ca 0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2p0e n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p0e h LYS 15 N 0.00 0.37 -0.40 1.61 1.57 -1.93 -1.16 116.57 116.63 2p0e h LYS 15 Ca 0.00 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2p0e h LYS 15 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2p0e h LYS 15 CO 0.00 0.43 -0.27 1.15 -0.57 0.00 0.00 179.45 180.19 2p0e h THR 16 N 0.23 1.28 -0.52 -0.16 2.02 -1.95 -1.10 112.91 112.70 2p0e h THR 16 Ca 0.08 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 2p0e h THR 16 Cb 0.21 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2p0e h THR 16 CO -0.00 0.48 0.31 0.74 0.37 0.00 0.00 175.52 177.42 2p0e h THR 17 N 0.71 1.16 -0.26 3.16 2.02 -1.98 -1.70 112.91 116.02 2p0e h THR 17 Ca 0.08 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2p0e h THR 17 Cb 0.85 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2p0e h THR 17 CO 0.07 0.17 0.15 0.25 0.37 0.00 0.00 175.52 176.53 2p0e h LEU 18 N 0.70 0.32 -0.50 2.58 5.85 -1.03 -0.85 115.31 122.39 2p0e h LEU 18 Ca 0.19 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2p0e h LEU 18 Cb -0.00 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 2p0e h LEU 18 CO -0.03 0.30 -0.05 0.00 -0.34 0.00 0.00 178.44 178.32 2p0e h ALA 19 N 1.03 0.41 -0.63 1.25 0.00 -1.01 -0.36 119.26 119.95 2p0e h ALA 19 Ca 0.09 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2p0e h ALA 19 Cb 0.05 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2p0e h ALA 19 CO -0.02 -0.41 0.06 0.87 0.00 0.00 0.00 179.25 179.75 2p0e h LYS 20 N 0.07 1.08 -0.47 0.00 1.57 -1.06 0.00 116.57 117.76 2p0e h LYS 20 Ca 0.25 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2p0e h LYS 20 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2p0e h LYS 20 CO -0.45 1.02 -0.19 -0.91 -0.57 0.00 0.00 179.45 178.35 2p0e h ASN 21 N 0.99 0.97 -0.32 0.86 2.35 -0.76 -1.71 115.58 117.96 2p0e h ASN 21 Ca 0.19 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2p0e h ASN 21 Cb 0.49 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2p0e h ASN 21 CO 0.02 1.14 0.17 -0.07 -1.65 0.00 0.00 177.43 177.05 2p0e h LEU 22 N 0.80 0.41 -1.01 1.61 3.38 -0.96 -3.06 115.31 116.48 2p0e h LEU 22 Ca 0.11 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2p0e h LEU 22 Cb 0.76 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2p0e h LEU 22 CO 0.06 0.39 0.65 -0.61 0.09 0.00 0.00 178.44 179.03 2p0e h GLN 23 N 0.40 1.19 0.00 1.13 4.15 -0.77 -0.80 115.11 120.40 2p0e h GLN 23 Ca 0.11 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2p0e h GLN 23 Cb 0.08 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.50 2p0e h GLN 23 CO -0.02 0.79 0.09 0.87 -1.93 0.00 0.00 178.83 178.63 2p0e h LYS 24 N 1.23 0.00 -0.01 1.69 1.57 -1.21 -2.89 116.57 116.94 2p0e h LYS 24 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2p0e h LYS 24 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2p0e h LYS 24 CO -0.15 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.45 2p0e n HIS 25 N -2.99 0.02 -4.75 -1.35 8.25 -0.36 -5.00 115.22 109.04 2p0e n HIS 25 Ca -0.03 -0.53 -0.25 0.00 -0.26 0.00 0.00 57.72 56.65 2p0e n HIS 25 Cb 0.15 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 2p0e n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2p0e s LEU 26 N -1.12 1.89 0.38 2.41 1.43 -0.90 -5.08 118.68 117.69 2p0e s LEU 26 Ca 0.03 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.57 2p0e s LEU 26 Cb 0.02 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 2p0e s LEU 26 CO 0.01 0.14 1.01 -2.16 0.23 0.00 0.00 176.35 175.57 2p0e s PRO 27 N 0.05 4.30 -1.30 1.29 0.04 -1.26 -4.00 135.00 134.12 2p0e s PRO 27 Ca -0.03 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 2p0e s PRO 27 Cb -0.11 -2.57 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 2p0e s PRO 27 CO 0.02 -0.00 0.60 -1.71 0.04 0.00 0.00 177.00 175.95 2p0e n ASN 28 N 0.04 -2.00 -4.21 6.66 5.15 -1.26 -4.55 115.26 115.09 2p0e n ASN 28 Ca 0.04 -0.95 -0.32 0.00 -0.60 0.00 0.00 54.58 52.75 2p0e n ASN 28 Cb 0.50 -3.45 -0.16 0.00 -0.53 0.00 0.00 39.78 36.14 2p0e n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2p0e s SER 30 N 0.61 4.59 -0.07 0.00 0.01 -0.30 -4.98 113.70 113.58 2p0e s SER 30 Ca -0.12 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.34 2p0e s SER 30 Cb -0.16 -0.69 0.02 0.00 0.21 0.00 0.00 66.02 65.39 2p0e s SER 30 CO 0.03 -0.29 -0.07 -0.69 0.41 0.00 0.00 173.24 172.63 2p0e s VAL 31 N -2.44 0.79 -0.12 3.43 1.01 -1.26 -0.39 120.40 121.41 2p0e s VAL 31 Ca 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2p0e s VAL 31 Cb -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2p0e s VAL 31 CO 0.22 0.30 -0.07 -0.63 0.00 0.00 0.00 175.10 174.92 2p0e s ILE 32 N 1.12 3.66 -0.20 2.22 1.01 -0.01 -4.97 121.20 124.03 2p0e s ILE 32 Ca -0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 2p0e s ILE 32 Cb -0.14 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2p0e s ILE 32 CO -0.01 0.53 -0.01 -0.44 0.00 0.00 0.00 174.94 175.01 2p0e s SER 33 N 0.00 4.71 0.46 3.58 0.01 -1.26 -1.05 113.70 120.15 2p0e s SER 33 Ca -0.01 -0.24 0.14 0.00 1.31 0.00 0.00 55.95 57.15 2p0e s SER 33 Cb -0.14 -1.80 1.05 0.00 0.21 0.00 0.00 66.02 65.34 2p0e s SER 33 CO 0.03 0.06 2.03 -0.61 0.41 0.00 0.00 173.24 175.16 2p0e h GLN 34 N 7.54 0.07 0.00 12.44 4.15 -1.35 -1.67 115.11 136.28 2p0e h GLN 34 Ca -0.36 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2p0e h GLN 34 Cb 1.18 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2p0e h GLN 34 CO 0.61 0.16 0.00 -0.25 -1.93 0.00 0.00 178.83 177.42 2p0e n ASP 35 N -4.39 0.60 0.00 -0.69 9.92 -1.26 -1.12 116.55 119.60 2p0e n ASP 35 Ca -0.02 0.71 0.11 0.00 -0.53 0.00 0.00 54.79 55.07 2p0e n ASP 35 Cb 0.19 -0.82 0.61 0.00 -0.64 0.00 0.00 41.12 40.46 2p0e n ASP 35 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2p0e n ASP 36 N -2.23 0.00 -0.11 -2.24 8.00 -0.63 -4.03 116.55 115.31 2p0e n ASP 36 Ca 0.00 -0.20 0.08 0.00 0.71 0.00 0.00 54.79 55.38 2p0e n ASP 36 Cb 0.12 -0.22 0.12 0.00 -0.02 0.00 0.00 41.12 41.13 2p0e n ASP 36 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2p0e n PHE 37 N -1.22 0.05 -2.04 1.24 3.72 -0.28 -5.04 117.46 113.90 2p0e n PHE 37 Ca 0.12 -0.91 -0.41 0.00 -0.05 0.00 0.00 57.45 56.20 2p0e n PHE 37 Cb 0.16 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2p0e n PHE 37 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2p0e s PHE 38 N -2.57 2.97 0.76 1.38 0.08 -1.26 -0.24 117.98 119.11 2p0e s PHE 38 Ca 0.27 1.24 -0.13 0.00 0.12 0.00 0.00 56.93 58.43 2p0e s PHE 38 Cb 0.24 -3.78 0.06 0.00 -0.57 0.00 0.00 43.02 38.97 2p0e s PHE 38 CO 0.03 -2.31 1.16 0.15 -0.10 0.00 0.00 175.22 174.16 2p0e s LYS 39 N -1.31 2.03 0.62 0.44 1.02 0.45 -4.78 119.74 118.23 2p0e s LYS 39 Ca 0.53 1.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.92 2p0e s LYS 39 Cb -0.41 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2p0e s LYS 39 CO 0.51 -1.88 1.31 -1.25 -0.92 0.00 0.00 175.35 173.12 2p0e s PRO 40 N -4.21 2.69 0.46 -1.68 0.04 -1.26 -4.88 135.00 126.16 2p0e s PRO 40 Ca 0.70 2.11 0.23 0.00 0.04 0.00 0.00 61.00 64.08 2p0e s PRO 40 Cb -0.25 -1.94 1.24 0.00 0.04 0.00 0.00 34.50 33.59 2p0e s PRO 40 CO 0.48 -1.51 1.85 1.49 0.04 0.00 0.00 177.00 179.36 2p0e h GLU 41 N 0.75 0.24 0.00 4.56 4.81 -1.95 -0.30 114.58 122.70 2p0e h GLU 41 Ca -0.51 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2p0e h GLU 41 Cb 1.33 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 2p0e h GLU 41 CO 0.54 0.16 -0.01 0.66 -0.73 0.00 0.00 179.01 179.63 2p0e h SER 42 N 0.25 0.00 0.16 1.04 4.64 -2.04 -1.34 113.55 116.27 2p0e h SER 42 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2p0e h SER 42 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2p0e h SER 42 CO -0.13 0.01 -0.39 -0.62 -0.87 0.00 0.00 176.83 174.82 2p0e n GLU 43 N -3.13 0.84 -3.00 4.77 1.02 -0.12 -4.88 120.64 116.13 2p0e n GLU 43 Ca -0.02 -0.59 -0.40 0.00 -0.02 0.00 0.00 57.16 56.13 2p0e n GLU 43 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2p0e n GLU 43 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2p0e s ILE 44 N -2.56 4.99 0.67 -3.67 -1.09 -0.51 -4.96 121.20 114.07 2p0e s ILE 44 Ca 0.20 1.49 -0.10 0.00 -2.23 0.00 0.00 60.65 60.02 2p0e s ILE 44 Cb 0.19 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2p0e s ILE 44 CO 0.57 0.17 1.03 -1.61 -1.23 0.00 0.00 174.94 173.88 2p0e s GLU 45 N 1.30 2.90 0.20 2.79 0.41 -1.26 -4.85 118.70 120.19 2p0e s GLU 45 Ca 0.37 0.32 0.09 0.00 -0.41 0.00 0.00 54.97 55.34 2p0e s GLU 45 Cb -0.17 -2.10 -0.04 0.00 -1.78 0.00 0.00 34.13 30.03 2p0e s GLU 45 CO 0.16 -0.91 -0.05 0.95 -0.49 0.00 0.00 175.26 174.92 2p0e s THR 46 N -3.24 3.42 0.58 3.63 -4.23 -1.26 -0.42 115.64 114.11 2p0e s THR 46 Ca 0.57 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 2p0e s THR 46 Cb -0.11 -2.73 0.11 0.00 1.34 0.00 0.00 72.50 71.11 2p0e s THR 46 CO 0.50 -0.17 0.80 -0.90 -0.54 0.00 0.00 174.62 174.31 2p0e n ASP 47 N -0.22 1.53 -0.33 3.99 5.68 -0.55 -4.91 116.55 121.75 2p0e n ASP 47 Ca -0.09 -2.19 0.24 0.00 -0.50 0.00 0.00 54.79 52.25 2p0e n ASP 47 Cb 0.56 -0.48 0.45 0.00 -1.14 0.00 0.00 41.12 40.52 2p0e n ASP 47 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2p0e h LYS 48 N 0.00 0.05 -0.31 0.11 6.56 -2.02 0.33 116.57 121.29 2p0e h LYS 48 Ca -0.27 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 2p0e h LYS 48 Cb 1.10 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2p0e h LYS 48 CO 0.33 0.03 0.00 0.09 -2.06 0.00 0.00 179.45 177.84 2p0e n ASN 49 N -5.32 1.96 -0.59 0.86 4.13 -1.26 -4.92 115.26 110.13 2p0e n ASN 49 Ca 0.31 -1.89 -0.07 0.00 1.68 0.00 0.00 54.58 54.61 2p0e n ASN 49 Cb 1.03 -0.20 -0.02 0.00 -1.54 0.00 0.00 39.78 39.05 2p0e n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2p0e n GLY 50 N 1.13 0.59 3.71 7.41 0.00 0.12 -5.02 105.19 113.13 2p0e n GLY 50 Ca 0.14 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2p0e n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p0e s PHE 51 N -2.27 3.64 0.16 1.61 0.08 -1.26 -4.77 117.98 115.17 2p0e s PHE 51 Ca 0.00 1.52 -0.32 0.00 0.12 0.00 0.00 56.93 58.25 2p0e s PHE 51 Cb 0.00 -2.98 -0.10 0.00 -0.57 0.00 0.00 43.02 39.37 2p0e s PHE 51 CO 0.00 0.05 1.61 -0.51 -0.10 0.00 0.00 175.22 176.26 2p0e s LEU 52 N 0.85 4.37 -1.17 -0.37 1.43 -1.26 -1.48 118.68 121.06 2p0e s LEU 52 Ca 0.46 2.65 -0.13 0.00 -1.03 0.00 0.00 54.13 56.08 2p0e s LEU 52 Cb -0.20 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.62 2p0e s LEU 52 CO 0.24 -0.86 1.34 -1.10 0.23 0.00 0.00 176.35 176.20 2p0e s GLN 53 N 1.29 4.08 0.07 1.70 -0.21 0.43 -4.74 119.66 122.28 2p0e s GLN 53 Ca 0.71 -2.67 0.20 0.00 0.02 0.00 0.00 55.36 53.62 2p0e s GLN 53 Cb -0.45 -4.94 -0.14 0.00 1.00 0.00 0.00 33.01 28.49 2p0e s GLN 53 CO 0.31 -1.65 0.77 0.66 -2.12 0.00 0.00 175.29 173.26 2p0e n TYR 54 N 5.06 0.73 -1.64 0.91 4.01 -1.26 -4.47 117.16 120.49 2p0e n TYR 54 Ca 0.33 0.23 -0.38 0.00 -0.16 0.00 0.00 57.90 57.92 2p0e n TYR 54 Cb 0.42 -0.94 0.06 0.00 -0.31 0.00 0.00 39.34 38.57 2p0e n TYR 54 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2p0e n ASP 55 N -2.70 7.62 -3.91 7.72 9.92 -1.26 -4.71 116.55 129.22 2p0e n ASP 55 Ca -0.08 -3.81 -0.09 0.00 -0.53 0.00 0.00 54.79 50.28 2p0e n ASP 55 Cb 0.73 -1.03 -0.09 0.00 -0.64 0.00 0.00 41.12 40.09 2p0e n ASP 55 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2p0e s VAL 56 N -4.94 0.13 0.51 2.53 -7.23 -1.26 -4.80 120.40 105.34 2p0e s VAL 56 Ca 0.58 -1.10 0.19 0.00 -1.81 0.00 0.00 61.98 59.83 2p0e s VAL 56 Cb 0.47 -0.97 0.27 0.00 0.56 0.00 0.00 36.38 36.71 2p0e s VAL 56 CO -0.23 -0.61 2.14 -0.07 -0.31 0.00 0.00 175.10 176.02 2p0e h LEU 57 N 3.51 0.00 -1.71 1.32 3.38 -1.94 -1.98 115.31 117.89 2p0e h LEU 57 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2p0e h LEU 57 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2p0e h LEU 57 CO 0.51 0.04 0.00 -0.33 0.09 0.00 0.00 178.44 178.76 2p0e h GLU 58 N 0.00 0.00 0.00 1.13 3.07 -1.94 -1.68 114.58 115.15 2p0e h GLU 58 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p0e h GLU 58 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2p0e h GLU 58 CO 0.01 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.62 2p0e n ALA 59 N -1.95 2.15 -2.49 3.43 0.00 -0.74 -4.87 120.51 116.03 2p0e n ALA 59 Ca -0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 2p0e n ALA 59 Cb 0.17 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.06 2p0e n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p0e s LEU 60 N -3.05 2.29 0.27 0.00 1.43 -0.63 -0.41 118.68 118.57 2p0e s LEU 60 Ca 0.12 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 2p0e s LEU 60 Cb 0.16 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.88 2p0e s LEU 60 CO 0.46 0.30 0.71 0.21 0.23 0.00 0.00 176.35 178.27 2p0e s ASN 61 N -0.50 6.89 0.00 2.29 3.84 0.66 -4.85 114.94 123.27 2p0e s ASN 61 Ca 0.06 1.31 0.00 0.00 0.21 0.00 0.00 52.86 54.44 2p0e s ASN 61 Cb -0.11 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2p0e s ASN 61 CO 0.01 -0.08 0.00 -0.62 -2.79 0.00 0.00 177.10 173.61 2p0e n GLU 63 N 0.16 0.00 -1.80 0.43 1.02 -1.26 -4.93 120.64 114.27 2p0e n GLU 63 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2p0e n GLU 63 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.87 2p0e n GLU 63 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2p0e n LYS 64 N 0.00 1.19 0.00 3.49 4.81 -1.26 -4.71 118.16 121.68 2p0e n LYS 64 Ca 0.00 -2.18 0.00 0.00 -0.87 0.00 0.00 58.31 55.26 2p0e n LYS 64 Cb 0.00 -3.65 0.00 0.00 0.02 0.00 0.00 35.03 31.40 2p0e n LYS 64 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2p0e n SER 67 N 14.71 0.00 -0.20 3.14 2.88 -1.26 -4.72 113.62 128.17 2p0e n SER 67 Ca 0.45 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.91 2p0e n SER 67 Cb 0.46 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.95 2p0e n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2p0e h ALA 68 N 0.00 0.74 -0.41 -1.46 0.00 -1.99 0.11 119.26 116.25 2p0e h ALA 68 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2p0e h ALA 68 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2p0e h ALA 68 CO 0.00 0.29 0.26 0.82 0.00 0.00 0.00 179.25 180.62 2p0e h ILE 69 N 0.78 1.12 -0.48 0.00 2.04 -1.97 -1.37 117.51 117.64 2p0e h ILE 69 Ca 0.20 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2p0e h ILE 69 Cb 0.10 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2p0e h ILE 69 CO -0.03 0.12 0.08 0.28 0.00 0.00 0.00 178.15 178.60 2p0e h SER 70 N 0.54 0.70 -0.72 1.72 0.02 -1.87 -2.34 113.55 111.60 2p0e h SER 70 Ca 0.15 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2p0e h SER 70 Cb -0.03 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2p0e h SER 70 CO -0.03 0.72 0.33 0.00 -1.14 0.00 0.00 176.83 176.71 2p0e n TRP 72 N -4.40 0.00 0.00 0.00 -0.00 -0.55 -1.89 117.44 110.61 2p0e n TRP 72 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 2p0e n TRP 72 Cb 0.14 -0.06 0.00 0.00 -0.00 0.00 0.00 31.31 31.40 2p0e n TRP 72 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2p0e n GLU 74 N 0.74 0.00 -0.11 5.87 4.07 -0.71 0.13 120.64 130.62 2p0e n GLU 74 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2p0e n GLU 74 Cb 0.02 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.41 2p0e n GLU 74 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2p0e h SER 75 N 0.00 0.27 -0.96 4.31 0.87 -1.65 -2.89 113.55 113.50 2p0e h SER 75 Ca 0.00 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.71 2p0e h SER 75 Cb 0.00 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.85 2p0e h SER 75 CO 0.00 0.20 0.61 0.00 -0.53 0.00 0.00 176.83 177.11 2p0e h ALA 76 N 1.19 1.66 0.00 6.23 0.00 -0.58 -0.33 119.26 127.44 2p0e h ALA 76 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2p0e h ALA 76 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p0e h ALA 76 CO -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 2p0e h ARG 77 N 0.86 0.00 -0.25 0.00 3.08 -1.65 -2.00 114.38 114.41 2p0e h ARG 77 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2p0e h ARG 77 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2p0e h ARG 77 CO -0.25 0.01 0.00 0.72 -1.07 0.00 0.00 179.97 179.38 2p0e n HIS 78 N -3.85 0.31 0.89 3.04 8.25 -0.18 -4.63 115.22 119.06 2p0e n HIS 78 Ca -0.03 -0.18 0.14 0.00 -0.26 0.00 0.00 57.72 57.39 2p0e n HIS 78 Cb 0.10 -0.00 0.52 0.00 1.12 0.00 0.00 29.99 31.72 2p0e n HIS 78 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2p0e n SER 79 N 1.25 0.28 -3.89 0.41 3.41 -0.75 -4.64 113.62 109.69 2p0e n SER 79 Ca 0.16 0.44 -0.27 0.00 -0.26 0.00 0.00 58.87 58.94 2p0e n SER 79 Cb 0.54 -0.49 -0.17 0.00 -0.26 0.00 0.00 64.21 63.83 2p0e n SER 79 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2p0e s VAL 80 N -3.03 0.99 0.35 -3.33 1.01 -1.26 -5.10 120.40 110.02 2p0e s VAL 80 Ca 0.13 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2p0e s VAL 80 Cb 0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 2p0e s VAL 80 CO 0.57 0.29 1.09 0.54 0.00 0.00 0.00 175.10 177.58 2p0e s VAL 81 N 1.71 3.54 0.32 2.92 0.11 -1.26 -4.96 120.40 122.78 2p0e s VAL 81 Ca 0.04 1.35 -0.29 0.00 -2.93 0.00 0.00 61.98 60.15 2p0e s VAL 81 Cb -0.13 -3.78 -0.10 0.00 -1.53 0.00 0.00 36.38 30.83 2p0e s VAL 81 CO -0.08 0.17 1.33 -0.55 -3.33 0.00 0.00 175.10 172.64 2p0e s SER 82 N -1.21 6.74 0.00 3.54 0.15 -1.26 -4.99 113.70 116.67 2p0e s SER 82 Ca 0.52 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.87 2p0e s SER 82 Cb -0.28 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 2p0e s SER 82 CO 0.35 -0.57 0.00 0.35 1.20 0.00 0.00 173.24 174.57 2p0e n THR 83 N 0.95 0.00 -1.45 6.45 -2.24 -1.26 -5.18 114.28 111.55 2p0e n THR 83 Ca 0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 2p0e n THR 83 Cb 0.41 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.81 2p0e n THR 83 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2p0e s ASP 84 N 1.81 2.97 -0.00 3.42 1.01 -1.26 -5.10 116.67 119.51 2p0e s ASP 84 Ca 0.00 0.89 0.04 0.00 0.71 0.00 0.00 52.55 54.18 2p0e s ASP 84 Cb 0.00 -1.38 -0.01 0.00 1.01 0.00 0.00 42.92 42.54 2p0e s ASP 84 CO 0.00 -2.88 -0.11 -1.10 0.21 0.00 0.00 175.17 171.29 2p0e s GLN 85 N -5.30 0.90 -0.09 8.23 -0.21 -1.26 -5.14 119.66 116.79 2p0e s GLN 85 Ca 0.66 -0.46 -0.08 0.00 0.02 0.00 0.00 55.36 55.50 2p0e s GLN 85 Cb -0.14 -0.87 0.02 0.00 1.00 0.00 0.00 33.01 33.03 2p0e s GLN 85 CO 0.54 0.23 0.23 -2.00 -2.12 0.00 0.00 175.29 172.18 2p0e s GLU 89 N -0.42 0.27 -0.47 2.91 2.12 -1.26 -5.29 118.70 116.56 2p0e s GLU 89 Ca 0.04 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.50 2p0e s GLU 89 Cb -0.05 0.13 0.05 0.00 0.26 0.00 0.00 34.13 34.52 2p0e s GLU 89 CO -0.00 -0.03 0.58 -1.21 -0.54 0.00 0.00 175.26 174.05 2p0e s GLU 90 N 0.12 3.13 -0.32 4.30 2.02 -1.26 -5.05 118.70 121.65 2p0e s GLU 90 Ca -0.00 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.05 2p0e s GLU 90 Cb -0.02 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.14 2p0e s GLU 90 CO 0.00 -1.10 0.30 0.42 0.02 0.00 0.00 175.26 174.91 2p0e s ILE 91 N 2.50 5.23 0.49 -1.63 1.01 -1.26 -4.97 121.20 122.57 2p0e s ILE 91 Ca 0.15 0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 2p0e s ILE 91 Cb -0.18 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 2p0e s ILE 91 CO 0.13 0.04 1.30 -2.65 0.00 0.00 0.00 174.94 173.77 2p0e n PRO 92 N 5.24 1.82 -5.04 2.79 -0.02 -1.26 -4.73 135.00 133.80 2p0e n PRO 92 Ca -0.11 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 2p0e n PRO 92 Cb 0.50 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 2p0e n PRO 92 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2p0e s ILE 93 N -1.26 2.57 -0.07 4.25 1.01 -0.73 -1.14 121.20 125.84 2p0e s ILE 93 Ca 0.66 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.49 2p0e s ILE 93 Cb -0.46 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2p0e s ILE 93 CO 0.54 0.56 -0.24 -0.22 0.00 0.00 0.00 174.94 175.58 2p0e s LEU 94 N -0.11 2.06 -0.22 2.97 2.96 -0.70 -1.14 118.68 124.50 2p0e s LEU 94 Ca -0.03 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2p0e s LEU 94 Cb -0.14 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 2p0e s LEU 94 CO 0.04 0.20 0.01 -0.63 -1.32 0.00 0.00 176.35 174.65 2p0e s ILE 95 N 0.07 3.89 -0.24 6.68 1.01 0.47 -0.87 121.20 132.22 2p0e s ILE 95 Ca -0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2p0e s ILE 95 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 2p0e s ILE 95 CO 0.06 0.41 0.03 -0.63 0.00 0.00 0.00 174.94 174.80 2p0e s ILE 96 N 1.27 3.97 -0.04 2.92 1.01 0.49 -0.83 121.20 129.99 2p0e s ILE 96 Ca 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.45 2p0e s ILE 96 Cb -0.15 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 2p0e s ILE 96 CO 0.01 0.36 -0.22 -1.83 0.00 0.00 0.00 174.94 173.26 2p0e s GLU 97 N 1.56 2.05 0.00 2.79 4.04 -0.21 -1.08 118.70 127.85 2p0e s GLU 97 Ca 0.06 -0.79 0.00 0.00 0.04 0.00 0.00 54.97 54.28 2p0e s GLU 97 Cb -0.15 -1.84 0.00 0.00 0.02 0.00 0.00 34.13 32.17 2p0e s GLU 97 CO 0.01 0.39 0.00 0.41 -1.84 0.00 0.00 175.26 174.23 2p0e n GLY 98 N 2.82 1.57 0.08 -3.83 0.00 -0.66 -0.79 105.19 104.39 2p0e n GLY 98 Ca -0.17 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.41 2p0e n GLY 98 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2p0e n PHE 99 N -0.30 0.49 -3.04 1.61 1.16 -1.26 -4.06 117.46 112.06 2p0e n PHE 99 Ca 0.00 0.21 -0.15 0.00 -1.87 0.00 0.00 57.45 55.64 2p0e n PHE 99 Cb 0.00 -0.83 0.01 0.00 -1.61 0.00 0.00 39.48 37.05 2p0e n PHE 99 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 2p0e n LEU 100 N -1.96 -0.24 -0.10 5.98 7.94 -1.26 -4.48 117.00 122.88 2p0e n LEU 100 Ca 0.02 -4.57 -0.11 0.00 -1.11 0.00 0.00 56.01 50.23 2p0e n LEU 100 Cb 0.17 0.79 -0.13 0.00 0.53 0.00 0.00 43.42 44.79 2p0e n LEU 100 CO 0.15 2.22 -1.14 0.18 -1.11 0.00 0.00 177.39 177.69 2p0e n LEU 101 N 0.32 1.14 -0.64 -1.96 4.77 -1.26 -4.67 117.00 114.69 2p0e n LEU 101 Ca 0.19 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 2p0e n LEU 101 Cb 0.67 -0.03 0.32 0.00 -2.33 0.00 0.00 43.42 42.05 2p0e n LEU 101 CO 0.15 0.61 0.74 0.49 -1.33 0.00 0.00 177.39 178.05 2p0e n PHE 102 N -2.85 0.30 -0.02 -1.77 3.72 -1.26 -2.90 117.46 112.69 2p0e n PHE 102 Ca -0.33 -0.15 0.04 0.00 -0.05 0.00 0.00 57.45 56.96 2p0e n PHE 102 Cb 1.02 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.65 2p0e n PHE 102 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2p0e n ASN 103 N 0.49 2.42 -4.42 4.37 6.94 -1.26 -4.93 115.26 118.86 2p0e n ASN 103 Ca 0.16 -1.84 -0.44 0.00 -0.02 0.00 0.00 54.58 52.44 2p0e n ASN 103 Cb 0.35 -0.12 -0.05 0.00 -2.36 0.00 0.00 39.78 37.59 2p0e n ASN 103 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2p0e s TYR 104 N -0.92 3.01 0.24 -2.53 5.04 -1.14 -4.96 117.35 116.08 2p0e s TYR 104 Ca 0.15 -0.66 -0.06 0.00 -2.44 0.00 0.00 57.07 54.05 2p0e s TYR 104 Cb 0.08 -3.74 0.23 0.00 0.35 0.00 0.00 41.96 38.88 2p0e s TYR 104 CO 0.11 -1.15 1.83 0.87 -1.34 0.00 0.00 175.55 175.87 2p0e h LYS 105 N 9.09 1.18 -0.40 4.97 1.79 -1.91 -2.10 116.57 129.19 2p0e h LYS 105 Ca -0.28 -0.17 0.12 0.00 -2.18 0.00 0.00 60.65 58.13 2p0e h LYS 105 Cb 1.09 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 2p0e h LYS 105 CO 1.02 0.91 0.36 -1.35 -1.08 0.00 0.00 179.45 179.31 2p0e h PRO 106 N 1.17 0.00 -0.43 3.15 0.11 -1.98 -1.29 132.00 132.73 2p0e h PRO 106 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2p0e h PRO 106 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2p0e h PRO 106 CO -0.04 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.03 2p0e n LEU 107 N -3.97 3.04 0.29 2.35 4.77 -0.79 -4.59 117.00 118.10 2p0e n LEU 107 Ca 0.07 -1.39 0.15 0.00 -0.03 0.00 0.00 56.01 54.81 2p0e n LEU 107 Cb 0.54 -0.28 0.92 0.00 -2.33 0.00 0.00 43.42 42.27 2p0e n LEU 107 CO 0.31 0.69 1.13 -2.24 -1.33 0.00 0.00 177.39 175.95 2p0e h ASP 108 N 3.71 0.00 -0.37 -1.43 3.04 -1.24 -1.15 116.42 118.97 2p0e h ASP 108 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2p0e h ASP 108 Cb 0.83 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 2p0e h ASP 108 CO 0.00 0.00 0.00 0.35 -2.04 0.00 0.00 179.24 177.55 2p0e n THR 109 N -3.84 0.55 0.09 1.15 -2.24 -1.26 -4.47 114.28 104.26 2p0e n THR 109 Ca -0.03 -0.77 -0.02 0.00 -2.27 0.00 0.00 64.05 60.96 2p0e n THR 109 Cb 0.09 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 2p0e n THR 109 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2p0e h ILE 110 N 3.91 1.14 -3.16 2.28 2.10 -1.52 -3.46 117.51 118.80 2p0e h ILE 110 Ca 0.00 -2.67 -0.57 0.00 1.08 0.00 0.00 64.86 62.70 2p0e h ILE 110 Cb 0.90 2.55 -0.06 0.00 -1.09 0.00 0.00 36.82 39.12 2p0e h ILE 110 CO 0.00 0.65 0.86 0.26 -1.08 0.00 0.00 178.15 178.84 2p0e s TRP 111 N -2.85 3.09 0.02 2.19 0.52 -1.26 -4.59 118.94 116.06 2p0e s TRP 111 Ca 0.02 1.19 0.10 0.00 0.02 0.00 0.00 56.10 57.43 2p0e s TRP 111 Cb 0.09 -3.58 -0.21 0.00 -1.15 0.00 0.00 33.47 28.61 2p0e s TRP 111 CO 0.78 -0.97 0.96 -0.91 0.02 0.00 0.00 176.95 176.83 2p0e h ASN 112 N 8.11 0.00 -4.98 2.95 4.21 -0.79 -3.47 115.58 121.61 2p0e h ASN 112 Ca -0.22 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.13 2p0e h ASN 112 Cb 1.07 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 38.06 2p0e h ASN 112 CO 1.01 0.98 -0.61 -0.13 -1.29 0.00 0.00 177.43 177.39 2p0e s ARG 113 N -2.66 0.39 -0.03 0.81 1.81 -1.08 -5.01 118.95 113.17 2p0e s ARG 113 Ca -0.02 -0.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 2p0e s ARG 113 Cb 0.09 0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.77 2p0e s ARG 113 CO 0.82 -0.08 0.00 -1.12 -0.68 0.00 0.00 175.30 174.25 2p0e s SER 114 N -1.44 0.49 0.05 0.23 0.01 -1.26 -0.93 113.70 110.86 2p0e s SER 114 Ca -0.15 -0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.16 2p0e s SER 114 Cb -0.09 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2p0e s SER 114 CO 0.00 -0.11 -0.21 -0.31 0.41 0.00 0.00 173.24 173.02 2p0e s TYR 115 N 1.10 1.87 -0.14 2.43 2.02 0.07 -0.96 117.35 123.74 2p0e s TYR 115 Ca -0.09 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.20 2p0e s TYR 115 Cb -0.13 -1.11 0.05 0.00 -0.40 0.00 0.00 41.96 40.37 2p0e s TYR 115 CO -0.02 0.10 0.06 0.12 -1.57 0.00 0.00 175.55 174.25 2p0e s PHE 116 N -0.82 0.38 -0.10 2.71 5.36 0.28 -0.74 117.98 125.05 2p0e s PHE 116 Ca 0.08 -0.29 -0.25 0.00 -0.96 0.00 0.00 56.93 55.50 2p0e s PHE 116 Cb -0.09 -0.73 -0.03 0.00 -0.34 0.00 0.00 43.02 41.84 2p0e s PHE 116 CO 0.02 -0.45 0.80 -0.51 -1.46 0.00 0.00 175.22 173.61 2p0e s LEU 117 N 2.07 4.27 -0.03 6.12 1.43 -0.04 -0.69 118.68 131.81 2p0e s LEU 117 Ca 0.02 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 2p0e s LEU 117 Cb -0.15 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 2p0e s LEU 117 CO -0.07 -0.25 -0.22 0.42 0.23 0.00 0.00 176.35 176.46 2p0e s THR 118 N 1.37 2.43 -0.02 5.49 -4.23 -0.05 -1.82 115.64 118.82 2p0e s THR 118 Ca 0.40 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2p0e s THR 118 Cb -0.18 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.79 2p0e s THR 118 CO 0.17 0.58 0.03 -0.63 -0.54 0.00 0.00 174.62 174.23 2p0e s ILE 119 N -0.66 -0.02 0.85 2.99 1.01 -1.26 -0.14 121.20 123.96 2p0e s ILE 119 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2p0e s ILE 119 Cb -0.10 -0.07 0.10 0.00 0.01 0.00 0.00 42.46 42.40 2p0e s ILE 119 CO -0.00 0.04 1.09 -2.84 0.00 0.00 0.00 174.94 173.22 2p0e s PRO 120 N 0.45 1.66 0.18 2.79 0.02 -1.26 -4.69 135.00 134.15 2p0e s PRO 120 Ca -0.04 0.83 -0.24 0.00 0.02 0.00 0.00 61.00 61.57 2p0e s PRO 120 Cb -0.05 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.68 2p0e s PRO 120 CO -0.01 -1.96 1.57 -0.92 -0.33 0.00 0.00 177.00 175.34 2p0e h TYR 121 N -1.35 -1.27 -0.10 6.54 3.20 -2.02 -0.20 116.97 121.79 2p0e h TYR 121 Ca -0.48 0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 2p0e h TYR 121 Cb 1.27 0.65 -0.00 0.00 1.54 0.00 0.00 36.73 40.18 2p0e h TYR 121 CO 0.46 -0.41 0.06 0.93 -1.64 0.00 0.00 178.16 177.55 2p0e h GLU 122 N -0.18 0.13 -0.33 1.82 4.39 -1.99 0.07 114.58 118.49 2p0e h GLU 122 Ca 0.20 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.74 2p0e h GLU 122 Cb 0.56 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2p0e h GLU 122 CO -0.74 0.15 -0.39 1.49 -1.16 0.00 0.00 179.01 178.35 2p0e h GLU 123 N 0.08 0.80 -0.19 2.33 4.57 -1.88 -1.68 114.58 118.61 2p0e h GLU 123 Ca 0.03 -0.42 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2p0e h GLU 123 Cb 0.05 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2p0e h GLU 123 CO -0.01 1.05 0.05 0.00 -1.18 0.00 0.00 179.01 178.92 2p0e h LYS 125 N 0.13 0.42 0.04 0.00 3.64 -0.80 -0.22 116.57 119.77 2p0e h LYS 125 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2p0e h LYS 125 Cb 0.07 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2p0e h LYS 125 CO -0.11 0.27 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.22 2p0e h ARG 126 N 0.43 -0.08 -0.75 1.90 2.43 -0.94 -2.31 114.38 115.05 2p0e h ARG 126 Ca 0.25 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2p0e h ARG 126 Cb 0.25 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2p0e h ARG 126 CO -0.23 -0.06 0.50 0.00 -1.51 0.00 0.00 179.97 178.67 2p0e h ARG 127 N -0.09 0.99 -0.95 0.20 3.08 -0.78 -2.61 114.38 114.23 2p0e h ARG 127 Ca 0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2p0e h ARG 127 Cb 0.09 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 2p0e h ARG 127 CO -0.01 0.66 0.62 -0.09 -1.07 0.00 0.00 179.97 180.08 2p0e h ARG 128 N 1.02 1.17 0.00 0.04 9.65 -0.85 -1.14 114.38 124.28 2p0e h ARG 128 Ca 0.28 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 2p0e h ARG 128 Cb -0.11 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 28.20 2p0e h ARG 128 CO -0.06 0.78 -0.07 0.66 2.80 0.00 0.00 179.97 184.08 2p0e h SER 129 N 1.21 0.00 1.64 -3.80 4.64 -1.03 -2.49 113.55 113.72 2p0e h SER 129 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2p0e h SER 129 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2p0e h SER 129 CO -0.12 0.07 -0.06 0.71 -0.87 0.00 0.00 176.83 176.56 2p0e h THR 130 N 0.00 0.00 -3.14 2.95 1.35 -1.08 -3.45 112.91 109.53 2p0e h THR 130 Ca -0.00 -0.70 -0.58 0.00 -0.55 0.00 0.00 66.41 64.58 2p0e h THR 130 Cb 0.34 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2p0e h THR 130 CO 0.01 0.00 -0.31 -0.60 -0.25 0.00 0.00 175.52 174.37 2p0e s ARG 131 N -3.15 3.63 -0.20 4.72 3.52 -0.94 -5.09 118.95 121.44 2p0e s ARG 131 Ca 0.09 -0.07 -0.07 0.00 -0.13 0.00 0.00 55.73 55.55 2p0e s ARG 131 Cb 0.09 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2p0e s ARG 131 CO 0.64 0.49 0.05 0.08 -0.81 0.00 0.00 175.30 175.74 2p0e s VAL 132 N -1.61 4.50 0.30 7.11 1.01 -1.26 -4.95 120.40 125.50 2p0e s VAL 132 Ca 0.39 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2p0e s VAL 132 Cb -0.12 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2p0e s VAL 132 CO 0.23 0.43 0.15 -0.31 0.00 0.00 0.00 175.10 175.61 2p0e s TYR 133 N 0.74 2.84 -0.30 5.22 2.02 -1.26 -5.06 117.35 121.56 2p0e s TYR 133 Ca 0.03 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2p0e s TYR 133 Cb -0.14 -1.52 0.09 0.00 -0.40 0.00 0.00 41.96 40.00 2p0e s TYR 133 CO 0.02 0.41 0.05 1.14 -1.57 0.00 0.00 175.55 175.61 2p0e s GLN 134 N -3.84 1.09 0.73 -0.62 -2.07 -1.26 -1.97 119.66 111.72 2p0e s GLN 134 Ca 0.36 -1.24 -0.11 0.00 -1.82 0.00 0.00 55.36 52.55 2p0e s GLN 134 Cb -0.05 -2.44 0.03 0.00 -1.09 0.00 0.00 33.01 29.46 2p0e s GLN 134 CO 0.23 -0.88 1.07 -1.25 -1.32 0.00 0.00 175.29 173.15 2p0e s PRO 135 N 1.40 2.61 0.43 9.60 0.04 -1.26 -5.11 135.00 142.71 2p0e s PRO 135 Ca 0.06 0.93 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 2p0e s PRO 135 Cb -0.18 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2p0e s PRO 135 CO -0.16 -1.32 1.21 -1.25 0.04 0.00 0.00 177.00 175.52 2p0e s PRO 136 N -5.04 3.86 0.10 0.56 0.04 -0.83 -4.91 135.00 128.78 2p0e s PRO 136 Ca 0.59 1.92 -0.35 0.00 0.04 0.00 0.00 61.00 63.20 2p0e s PRO 136 Cb -0.15 -2.57 -0.15 0.00 0.04 0.00 0.00 34.50 31.68 2p0e s PRO 136 CO 0.55 -0.50 1.53 -0.25 0.04 0.00 0.00 177.00 178.37 2p0e n ASP 137 N -0.19 2.63 -4.79 6.66 8.00 -1.26 -4.96 116.55 122.64 2p0e n ASP 137 Ca 0.06 1.09 -0.32 0.00 0.71 0.00 0.00 54.79 56.33 2p0e n ASP 137 Cb 0.46 -1.33 0.06 0.00 -0.02 0.00 0.00 41.12 40.29 2p0e n ASP 137 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2p0e s SER 138 N 1.14 5.02 0.47 -2.24 1.04 -1.26 -4.95 113.70 112.92 2p0e s SER 138 Ca 0.83 1.80 -0.24 0.00 0.48 0.00 0.00 55.95 58.81 2p0e s SER 138 Cb -0.79 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 62.74 2p0e s SER 138 CO 0.43 -1.69 1.34 -2.84 0.98 0.00 0.00 173.24 171.46 2p0e s PRO 139 N -4.69 3.58 0.00 4.02 0.02 -1.26 -1.83 135.00 134.84 2p0e s PRO 139 Ca 0.62 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2p0e s PRO 139 Cb -0.17 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.84 2p0e s PRO 139 CO 0.51 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2p0e n GLY 140 N 0.63 1.05 0.31 0.52 0.00 -1.26 -4.90 105.19 101.55 2p0e n GLY 140 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 2p0e n GLY 140 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2p0e h TYR 141 N 0.00 1.16 0.24 1.61 3.20 -1.73 0.13 116.97 121.57 2p0e h TYR 141 Ca 0.00 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2p0e h TYR 141 Cb 0.00 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2p0e h TYR 141 CO 0.00 0.95 -0.11 0.35 -1.64 0.00 0.00 178.16 177.71 2p0e h PHE 142 N 1.03 -0.29 -0.20 -3.82 3.57 -1.91 0.13 116.94 115.45 2p0e h PHE 142 Ca 0.21 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2p0e h PHE 142 Cb 0.39 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2p0e h PHE 142 CO 0.03 0.02 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.46 2p0e h ASP 143 N -0.63 0.36 1.34 0.41 3.32 -1.97 -0.37 116.42 118.88 2p0e h ASP 143 Ca -0.03 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 2p0e h ASP 143 Cb 0.45 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2p0e h ASP 143 CO 0.05 0.60 -0.68 1.23 -1.72 0.00 0.00 179.24 178.72 2p0e h GLY 144 N 0.98 0.00 0.00 2.75 0.00 -0.61 -3.40 103.07 102.79 2p0e h GLY 144 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2p0e h GLY 144 CO 0.04 0.00 -0.04 1.57 0.00 0.00 0.00 176.54 178.11 2p0e n HIS 145 N -3.12 -1.44 0.30 5.60 -0.00 0.41 -4.85 115.22 112.13 2p0e n HIS 145 Ca -0.00 0.25 -0.17 0.00 -0.00 0.00 0.00 57.72 57.80 2p0e n HIS 145 Cb 0.74 0.50 -0.08 0.00 -0.00 0.00 0.00 29.99 31.15 2p0e n HIS 145 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2p0e h VAL 146 N 0.00 0.43 -0.05 3.57 2.07 -1.12 -3.20 116.25 117.95 2p0e h VAL 146 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2p0e h VAL 146 Cb 0.04 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2p0e h VAL 146 CO 0.00 0.00 -0.03 -0.25 0.02 0.00 0.00 177.57 177.31 2p0e h TRP 147 N -0.75 0.13 0.00 1.57 2.91 -1.34 -0.88 115.95 117.59 2p0e h TRP 147 Ca -0.07 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.92 2p0e h TRP 147 Cb 0.59 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 2p0e h TRP 147 CO -0.06 0.52 0.00 -2.30 -1.03 0.00 0.00 178.44 175.57 2p0e n PRO 148 N -4.79 0.00 0.00 2.65 -0.02 -1.21 -1.31 135.00 130.31 2p0e n PRO 148 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2p0e n PRO 148 Cb 0.26 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 2p0e n PRO 148 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2p0e n TYR 150 N 0.73 0.00 -0.34 6.00 9.36 -0.34 -1.64 117.16 130.94 2p0e n TYR 150 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 2p0e n TYR 150 Cb 0.00 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 38.84 2p0e n TYR 150 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2p0e h LEU 151 N 0.00 0.97 -0.53 2.98 3.38 -1.48 -0.13 115.31 120.50 2p0e h LEU 151 Ca 0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2p0e h LEU 151 Cb 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2p0e h LEU 151 CO 0.00 0.65 0.34 0.50 0.09 0.00 0.00 178.44 180.02 2p0e h LYS 152 N 1.12 0.66 -0.10 1.13 1.63 -1.58 -0.56 116.57 118.87 2p0e h LYS 152 Ca 0.37 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 2p0e h LYS 152 Cb 0.05 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 2p0e h LYS 152 CO -0.14 0.44 0.05 -0.92 -3.45 0.00 0.00 179.45 175.43 2p0e h TYR 153 N 0.68 0.09 -0.90 1.91 3.20 -1.69 0.21 116.97 120.47 2p0e h TYR 153 Ca 0.21 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2p0e h TYR 153 Cb -0.03 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 2p0e h TYR 153 CO -0.05 0.05 0.59 0.00 -1.64 0.00 0.00 178.16 177.11 2p0e h ARG 154 N 0.11 1.13 -0.48 1.82 2.47 -0.88 -1.97 114.38 116.57 2p0e h ARG 154 Ca 0.04 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2p0e h ARG 154 Cb 0.01 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.05 2p0e h ARG 154 CO -0.03 0.75 0.26 0.37 0.56 0.00 0.00 179.97 181.88 2p0e h GLN 155 N 1.16 0.67 -2.00 0.04 -0.00 -0.67 -2.76 115.11 111.55 2p0e h GLN 155 Ca 0.35 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 2p0e h GLN 155 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.31 2p0e h GLN 155 CO -0.11 0.53 0.00 0.39 0.00 0.00 0.00 178.83 179.64 2p0e n GLU 156 N -4.67 0.00 0.00 1.69 1.02 0.70 -4.53 120.64 114.85 2p0e n GLU 156 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2p0e n GLU 156 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2p0e n GLU 156 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2p0e n GLN 158 N 1.18 0.00 -3.25 3.49 3.00 -1.04 -4.70 117.38 116.06 2p0e n GLN 158 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2p0e n GLN 158 Cb 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 30.24 28.75 2p0e n GLN 158 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2p0e n ASP 159 N 0.33 2.14 -4.96 1.08 2.03 -1.26 -5.10 116.55 110.81 2p0e n ASP 159 Ca 0.00 -3.13 -0.22 0.00 0.52 0.00 0.00 54.79 51.96 2p0e n ASP 159 Cb 0.00 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 39.75 2p0e n ASP 159 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2p0e s ILE 160 N -2.20 4.93 -1.76 5.18 2.07 -1.26 -5.04 121.20 123.12 2p0e s ILE 160 Ca 0.39 -0.74 0.21 0.00 -1.41 0.00 0.00 60.65 59.10 2p0e s ILE 160 Cb 0.19 -3.77 0.68 0.00 0.13 0.00 0.00 42.46 39.69 2p0e s ILE 160 CO -0.07 -0.40 1.57 0.35 -1.91 0.00 0.00 174.94 174.48 2p0e n THR 161 N -1.65 1.23 -3.90 4.00 -2.24 -1.26 -4.93 114.28 105.54 2p0e n THR 161 Ca -0.05 -1.04 -0.09 0.00 -2.27 0.00 0.00 64.05 60.59 2p0e n THR 161 Cb 0.57 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 2p0e n THR 161 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2p0e s TRP 162 N -1.25 0.26 0.17 4.78 -2.14 -1.26 -5.12 118.94 114.38 2p0e s TRP 162 Ca 0.50 -0.64 -0.26 0.00 2.66 0.00 0.00 56.10 58.36 2p0e s TRP 162 Cb 0.28 -0.01 -0.08 0.00 -3.10 0.00 0.00 33.47 30.55 2p0e s TRP 162 CO 0.31 -0.68 0.80 -1.21 -2.66 0.00 0.00 176.95 173.52 2p0e s GLU 163 N -3.92 4.61 -0.03 3.25 2.02 -1.26 -5.07 118.70 118.30 2p0e s GLU 163 Ca 0.12 1.21 0.06 0.00 0.02 0.00 0.00 54.97 56.38 2p0e s GLU 163 Cb 0.03 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 2p0e s GLU 163 CO -0.04 0.55 -0.21 0.08 0.02 0.00 0.00 175.26 175.66 2p0e s VAL 164 N -1.11 1.69 -0.33 2.63 1.01 -1.26 -4.45 120.40 118.58 2p0e s VAL 164 Ca 0.37 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 2p0e s VAL 164 Cb -0.23 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2p0e s VAL 164 CO 0.27 0.48 0.44 -0.69 0.00 0.00 0.00 175.10 175.59 2p0e s VAL 165 N -0.30 5.10 -0.04 2.92 1.01 -0.13 -4.99 120.40 123.98 2p0e s VAL 165 Ca 0.03 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 2p0e s VAL 165 Cb -0.10 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2p0e s VAL 165 CO 0.01 -0.10 0.45 -0.31 0.00 0.00 0.00 175.10 175.15 2p0e s TYR 166 N 2.20 3.66 0.08 5.22 2.02 -1.26 -0.56 117.35 128.71 2p0e s TYR 166 Ca 0.16 0.98 0.09 0.00 -0.37 0.00 0.00 57.07 57.93 2p0e s TYR 166 Cb -0.16 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 2p0e s TYR 166 CO 0.12 0.46 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.81 2p0e s LEU 167 N -0.43 2.24 -0.65 -1.29 1.43 0.13 -4.92 118.68 115.18 2p0e s LEU 167 Ca 0.25 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 2p0e s LEU 167 Cb -0.16 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.04 2p0e s LEU 167 CO 0.13 0.16 1.05 -0.62 0.23 0.00 0.00 176.35 177.29 2p0e s ASP 168 N -1.60 6.22 0.00 2.29 -1.08 -1.26 -0.87 116.67 120.37 2p0e s ASP 168 Ca 0.09 -0.68 0.13 0.00 -0.52 0.00 0.00 52.55 51.57 2p0e s ASP 168 Cb -0.10 -2.46 0.56 0.00 -1.46 0.00 0.00 42.92 39.46 2p0e s ASP 168 CO 0.03 -1.50 1.39 0.61 0.52 0.00 0.00 175.17 176.23 2p0e n GLY 169 N 5.29 -0.89 0.00 2.66 0.00 0.80 -2.21 105.19 110.83 2p0e n GLY 169 Ca -0.01 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2p0e n GLY 169 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2p0e n THR 170 N -1.46 0.05 -1.66 2.61 -2.24 -1.26 -4.86 114.28 105.47 2p0e n THR 170 Ca 0.04 0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.48 2p0e n THR 170 Cb 0.14 -0.53 0.07 0.00 -2.10 0.00 0.00 70.33 67.90 2p0e n THR 170 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2p0e s LYS 171 N -2.71 2.49 0.83 -0.78 1.02 -0.94 -5.01 119.74 114.64 2p0e s LYS 171 Ca 0.23 1.74 -0.11 0.00 0.02 0.00 0.00 55.97 57.85 2p0e s LYS 171 Cb 0.19 -1.88 0.09 0.00 -0.52 0.00 0.00 37.83 35.72 2p0e s LYS 171 CO 0.47 -1.56 1.13 -1.54 -0.92 0.00 0.00 175.35 172.92 2p0e s SER 172 N -1.96 3.76 0.20 2.83 1.04 -1.26 -4.77 113.70 113.53 2p0e s SER 172 Ca 0.75 2.06 -0.11 0.00 0.48 0.00 0.00 55.95 59.12 2p0e s SER 172 Cb -0.29 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.51 2p0e s SER 172 CO 0.41 -2.54 1.72 -0.08 0.98 0.00 0.00 173.24 173.73 2p0e h GLU 173 N -1.33 0.27 -0.55 4.02 4.81 -1.95 -0.75 114.58 119.10 2p0e h GLU 173 Ca -0.44 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 2p0e h GLU 173 Cb 1.26 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2p0e h GLU 173 CO 0.47 0.18 -0.05 1.49 -0.73 0.00 0.00 179.01 180.37 2p0e h GLU 174 N 0.28 0.99 0.07 1.92 4.57 -1.99 -1.07 114.58 119.36 2p0e h GLU 174 Ca 0.28 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2p0e h GLU 174 Cb 0.37 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2p0e h GLU 174 CO -0.34 1.00 -0.07 0.22 -1.18 0.00 0.00 179.01 178.65 2p0e h ASP 175 N 0.90 -0.18 -0.25 1.04 1.82 -1.79 -0.24 116.42 117.71 2p0e h ASP 175 Ca 0.15 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2p0e h ASP 175 Cb 0.59 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 2p0e h ASP 175 CO 0.04 -0.11 0.16 -0.07 -1.61 0.00 0.00 179.24 177.65 2p0e h LEU 176 N -0.15 0.30 -0.15 2.28 3.38 -1.12 -1.47 115.31 118.38 2p0e h LEU 176 Ca 0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2p0e h LEU 176 Cb 0.15 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2p0e h LEU 176 CO -0.02 0.25 -0.13 0.15 0.09 0.00 0.00 178.44 178.79 2p0e h PHE 177 N 0.32 -0.31 -0.59 1.13 3.57 -1.00 -1.72 116.94 118.35 2p0e h PHE 177 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2p0e h PHE 177 Cb 0.00 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2p0e h PHE 177 CO -0.05 -0.19 0.30 -0.07 -2.23 0.00 0.00 178.31 176.07 2p0e h LEU 178 N -0.14 0.76 -0.03 0.59 3.38 -0.86 0.25 115.31 119.25 2p0e h LEU 178 Ca 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2p0e h LEU 178 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2p0e h LEU 178 CO -0.24 0.66 -0.04 -0.61 0.09 0.00 0.00 178.44 178.30 2p0e h GLN 179 N 0.80 -0.06 -0.26 1.13 4.15 -1.08 -0.13 115.11 119.66 2p0e h GLN 179 Ca 0.20 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 2p0e h GLN 179 Cb 0.09 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2p0e h GLN 179 CO -0.03 -0.04 0.02 0.28 -1.93 0.00 0.00 178.83 177.13 2p0e h VAL 180 N -0.06 1.24 -0.47 2.39 2.07 -1.17 -2.42 116.25 117.83 2p0e h VAL 180 Ca 0.03 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.76 2p0e h VAL 180 Cb 0.11 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2p0e h VAL 180 CO -0.07 0.27 0.17 0.22 0.02 0.00 0.00 177.57 178.18 2p0e h TYR 181 N 0.23 0.31 -0.79 1.57 3.20 -0.84 0.18 116.97 120.83 2p0e h TYR 181 Ca 0.07 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.08 2p0e h TYR 181 Cb 0.38 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 2p0e h TYR 181 CO 0.03 0.11 0.41 0.93 -1.64 0.00 0.00 178.16 178.01 2p0e h GLU 182 N 0.35 0.64 0.02 1.82 5.08 -0.95 -0.79 114.58 120.76 2p0e h GLU 182 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2p0e h GLU 182 Cb 0.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2p0e h GLU 182 CO -0.22 0.42 -0.01 0.22 -1.00 0.00 0.00 179.01 178.42 2p0e h ASP 183 N 0.66 -0.02 -0.59 1.42 3.58 -0.91 -3.35 116.42 117.20 2p0e h ASP 183 Ca 0.41 -0.40 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2p0e h ASP 183 Cb 0.48 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2p0e h ASP 183 CO -0.30 0.40 0.18 0.25 -2.88 0.00 0.00 179.24 176.88 2p0e h LEU 184 N -0.45 0.87 -1.81 2.28 5.85 -0.31 -2.64 115.31 119.11 2p0e h LEU 184 Ca -0.00 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2p0e h LEU 184 Cb 0.43 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2p0e h LEU 184 CO 0.00 0.85 -0.01 0.16 -0.34 0.00 0.00 178.44 179.11 2p0e h ILE 185 N 0.84 0.03 0.00 4.05 3.07 -1.29 0.27 117.51 124.48 2p0e h ILE 185 Ca 0.19 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.19 2p0e h ILE 185 Cb 0.30 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 2p0e h ILE 185 CO -0.00 0.01 0.00 1.56 -1.05 0.00 0.00 178.15 178.66 2p0e h GLN 186 N 0.00 0.00 0.00 0.16 4.20 -1.60 -3.30 115.11 114.58 2p0e h GLN 186 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2p0e h GLN 186 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 2p0e h GLN 186 CO 0.00 0.00 -1.79 0.39 -0.67 0.00 0.00 178.83 176.76 2p0e n GLU 187 N -2.76 0.65 0.00 1.46 -0.58 0.90 -5.15 120.64 115.15 2p0e n GLU 187 Ca 0.04 0.09 0.05 0.00 -0.42 0.00 0.00 57.16 56.92 2p0e n GLU 187 Cb 0.44 -1.68 0.30 0.00 -0.57 0.00 0.00 31.44 29.93 2p0e n GLU 187 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93