#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa h SER 2 N 0.00 0.73 0.17 7.83 4.64 -1.97 -2.57 113.55 122.37 2poa h SER 2 Ca 0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2poa h SER 2 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2poa h SER 2 CO 0.00 1.09 0.00 -0.24 -0.87 0.00 0.00 176.83 176.81 2poa n SER 3 N -4.00 0.00 -0.86 4.97 2.88 -1.23 -3.57 113.62 111.81 2poa n SER 3 Ca -0.03 0.50 0.05 0.00 -1.33 0.00 0.00 58.87 58.07 2poa n SER 3 Cb 0.58 -0.50 0.13 0.00 -0.75 0.00 0.00 64.21 63.66 2poa n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2poa n PHE 4 N -1.50 0.00 -2.43 0.66 1.16 -0.98 -4.75 117.46 109.62 2poa n PHE 4 Ca 0.01 -1.02 -0.42 0.00 -1.87 0.00 0.00 57.45 54.15 2poa n PHE 4 Cb 0.06 -0.19 -0.03 0.00 -1.61 0.00 0.00 39.48 37.71 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2poa s LEU 5 N -1.89 4.31 0.00 5.98 1.43 -1.16 -4.62 118.68 122.73 2poa s LEU 5 Ca 0.34 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 2poa s LEU 5 Cb 0.35 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 43.00 2poa s LEU 5 CO -0.09 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.54 2poa n GLY 6 N 3.34 2.42 3.98 -3.19 0.00 0.62 -4.91 105.19 107.44 2poa n GLY 6 Ca 0.10 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 2poa n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2poa s LYS 7 N -1.77 1.61 -0.12 1.61 -2.85 -0.57 -1.27 119.74 116.39 2poa s LYS 7 Ca 0.00 -0.99 -0.07 0.00 -1.00 0.00 0.00 55.97 53.90 2poa s LYS 7 Cb 0.00 -2.28 0.04 0.00 -2.06 0.00 0.00 37.83 33.54 2poa s LYS 7 CO 0.00 -1.52 0.29 -1.58 0.10 0.00 0.00 175.35 172.64 2poa s TRP 8 N -3.21 -0.38 0.00 1.78 0.52 -1.26 -0.65 118.94 115.74 2poa s TRP 8 Ca 0.67 0.88 0.03 0.00 0.02 0.00 0.00 56.10 57.69 2poa s TRP 8 Cb -0.05 0.11 -0.01 0.00 -1.15 0.00 0.00 33.47 32.36 2poa s TRP 8 CO 0.45 -0.23 -0.09 -1.59 0.02 0.00 0.00 176.95 175.51 2poa s LYS 9 N 0.96 0.67 0.15 4.98 -2.85 -1.15 -4.20 119.74 118.30 2poa s LYS 9 Ca -0.07 -0.38 -0.31 0.00 -1.00 0.00 0.00 55.97 54.21 2poa s LYS 9 Cb -0.08 -0.63 -0.10 0.00 -2.06 0.00 0.00 37.83 34.96 2poa s LYS 9 CO -0.07 0.17 1.54 -1.17 0.10 0.00 0.00 175.35 175.92 2poa s LEU 10 N -0.41 4.37 -0.18 2.77 2.96 -1.26 -1.48 118.68 125.44 2poa s LEU 10 Ca 0.02 2.55 -0.07 0.00 -0.22 0.00 0.00 54.13 56.41 2poa s LEU 10 Cb -0.04 -3.59 -0.21 0.00 0.50 0.00 0.00 46.19 42.84 2poa s LEU 10 CO -0.00 -0.79 0.11 -0.24 -1.32 0.00 0.00 176.35 174.11 2poa n SER 11 N 4.07 2.04 -3.79 3.68 2.88 0.11 -4.91 113.62 117.69 2poa n SER 11 Ca 0.13 0.15 -0.13 0.00 -1.33 0.00 0.00 58.87 57.70 2poa n SER 11 Cb 0.39 -0.74 -0.10 0.00 -0.75 0.00 0.00 64.21 63.01 2poa n SER 11 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2poa s GLU 12 N -2.52 0.43 -0.13 -1.46 -1.05 -1.20 -5.03 118.70 107.74 2poa s GLU 12 Ca -0.28 0.07 0.01 0.00 -0.15 0.00 0.00 54.97 54.61 2poa s GLU 12 Cb 0.08 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.99 2poa s GLU 12 CO 0.67 -0.09 -0.13 0.45 0.95 0.00 0.00 175.26 177.11 2poa s SER 13 N -0.54 2.54 -0.10 0.83 0.15 -1.26 -3.51 113.70 111.81 2poa s SER 13 Ca -0.06 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 2poa s SER 13 Cb -0.04 -1.10 -0.01 0.00 -1.71 0.00 0.00 66.02 63.16 2poa s SER 13 CO 0.02 -0.05 0.01 -0.74 1.20 0.00 0.00 173.24 173.68 2poa h HIS 14 N 7.92 0.00 -1.00 3.44 6.17 -1.90 -3.45 115.15 126.33 2poa h HIS 14 Ca -0.35 0.00 -0.36 0.00 0.71 0.00 0.00 60.37 60.37 2poa h HIS 14 Cb 1.14 0.00 -0.32 0.00 2.52 0.00 0.00 27.41 30.75 2poa h HIS 14 CO 0.47 0.02 -0.96 -1.71 0.71 0.00 0.00 177.93 176.47 2poa n ASN 15 N -4.77 0.19 -3.92 3.26 2.85 -1.26 -4.97 115.26 106.64 2poa n ASN 15 Ca -0.00 -2.89 -0.42 0.00 -0.11 0.00 0.00 54.58 51.15 2poa n ASN 15 Cb 0.02 0.03 -0.00 0.00 1.24 0.00 0.00 39.78 41.07 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2poa n PHE 16 N 0.01 3.67 0.05 1.20 7.35 -1.26 -3.84 117.46 124.63 2poa n PHE 16 Ca 0.11 -2.86 0.00 0.00 -0.76 0.00 0.00 57.45 53.94 2poa n PHE 16 Cb 0.76 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 38.06 2poa n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2poa n ASP 17 N 6.79 -0.85 0.12 -2.13 5.68 -1.26 -4.30 116.55 120.60 2poa n ASP 17 Ca 0.51 0.20 -0.00 0.00 -0.50 0.00 0.00 54.79 54.99 2poa n ASP 17 Cb 0.41 1.15 0.03 0.00 -1.14 0.00 0.00 41.12 41.56 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2poa h ALA 18 N 0.00 0.63 -0.89 2.12 0.00 -2.00 -3.00 119.26 116.12 2poa h ALA 18 Ca 0.00 -0.59 0.25 0.00 0.00 0.00 0.00 54.91 54.57 2poa h ALA 18 Cb 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.54 2poa h ALA 18 CO 0.00 0.80 0.25 -0.24 0.00 0.00 0.00 179.25 180.06 2poa h VAL 19 N 0.00 0.29 0.04 0.00 3.04 -1.94 0.14 116.25 117.82 2poa h VAL 19 Ca -0.01 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2poa h VAL 19 Cb 1.42 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2poa h VAL 19 CO 0.08 0.04 -0.02 0.24 -1.01 0.00 0.00 177.57 176.90 2poa h MET 20 N 0.19 -0.05 -0.80 4.17 2.86 -1.88 -3.26 114.93 116.16 2poa h MET 20 Ca 0.57 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.28 2poa h MET 20 Cb 1.18 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.80 2poa h MET 20 CO -0.67 0.61 0.52 1.03 1.06 0.00 0.00 176.91 179.46 2poa h SER 21 N -0.89 0.75 -0.00 1.22 0.87 -1.37 -0.79 113.55 113.33 2poa h SER 21 Ca -0.01 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2poa h SER 21 Cb 0.68 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2poa h SER 21 CO 0.01 0.48 -0.06 0.07 -0.53 0.00 0.00 176.83 176.80 2poa h LYS 22 N 0.85 0.16 0.07 2.24 2.10 -0.88 -2.99 116.57 118.13 2poa h LYS 22 Ca 0.35 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2poa h LYS 22 Cb 0.26 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2poa h LYS 22 CO -0.12 0.24 -0.04 1.25 -2.00 0.00 0.00 179.45 178.78 2poa h LEU 23 N 0.16 -0.08 0.00 7.07 5.85 -1.37 -3.49 115.31 123.44 2poa h LEU 23 Ca 0.04 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2poa h LEU 23 Cb 0.22 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2poa h LEU 23 CO 0.01 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 2poa n GLY 24 N -0.01 -0.01 3.43 3.75 0.00 -0.39 -4.88 105.19 107.09 2poa n GLY 24 Ca -0.08 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2poa n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2poa s VAL 25 N 0.00 2.89 0.75 1.61 1.01 -1.22 -5.00 120.40 120.44 2poa s VAL 25 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 2poa s VAL 25 Cb 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.30 2poa s VAL 25 CO 0.00 0.58 1.24 -0.55 0.00 0.00 0.00 175.10 176.37 2poa s SER 26 N -0.54 3.93 -1.35 3.32 0.15 -1.26 -4.71 113.70 113.24 2poa s SER 26 Ca 0.07 2.47 -0.09 0.00 0.70 0.00 0.00 55.95 59.10 2poa s SER 26 Cb -0.11 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.49 2poa s SER 26 CO 0.01 -2.45 2.91 0.79 1.20 0.00 0.00 173.24 175.70 2poa n TRP 27 N -2.80 2.01 0.01 3.44 7.02 -1.26 -2.01 117.44 123.84 2poa n TRP 27 Ca 0.14 -2.76 0.00 0.00 -1.02 0.00 0.00 57.50 53.86 2poa n TRP 27 Cb 0.50 -2.28 0.00 0.00 -2.42 0.00 0.00 31.31 27.10 2poa n TRP 27 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2poa n ALA 28 N 3.55 0.00 -0.02 6.99 0.00 -1.26 -4.98 120.51 124.78 2poa n ALA 28 Ca 0.70 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 2poa n ALA 28 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.73 2poa n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2poa h THR 29 N 0.00 1.30 0.00 0.00 1.35 -1.94 -3.06 112.91 110.56 2poa h THR 29 Ca 0.00 -1.84 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 2poa h THR 29 Cb 0.00 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2poa h THR 29 CO 0.00 0.58 -0.06 -0.09 -0.25 0.00 0.00 175.52 175.70 2poa h ARG 30 N 0.52 0.00 -0.00 4.72 2.43 -1.69 -1.45 114.38 118.90 2poa h ARG 30 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 2poa h ARG 30 Cb 1.20 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2poa h ARG 30 CO 0.12 0.06 -0.63 1.96 -1.51 0.00 0.00 179.97 179.97 2poa h GLN 31 N 0.00 0.44 -0.75 0.20 7.50 -1.77 -2.84 115.11 117.88 2poa h GLN 31 Ca -0.00 -0.46 0.01 0.00 0.50 0.00 0.00 58.65 58.69 2poa h GLN 31 Cb 0.18 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.81 2poa h GLN 31 CO 0.01 1.12 0.50 0.82 -1.50 0.00 0.00 178.83 179.78 2poa h ILE 32 N -0.06 1.19 -0.69 2.54 5.03 -1.44 -2.67 117.51 121.41 2poa h ILE 32 Ca -0.08 -0.35 0.07 0.00 -0.12 0.00 0.00 64.86 64.38 2poa h ILE 32 Cb 1.34 0.09 -0.10 0.00 -3.03 0.00 0.00 36.82 35.11 2poa h ILE 32 CO 0.12 0.19 -0.57 1.23 -0.68 0.00 0.00 178.15 178.44 2poa h GLY 33 N 1.02 -0.89 -3.63 5.37 0.00 -1.27 0.90 103.07 104.56 2poa h GLY 33 Ca 0.28 0.75 -0.40 0.00 0.00 0.00 0.00 47.33 47.95 2poa h GLY 33 CO -0.06 -0.04 0.51 1.16 0.00 0.00 0.00 176.54 178.10 2poa n ASN 34 N -5.32 6.72 0.09 0.19 6.94 -1.07 -4.53 115.26 118.27 2poa n ASN 34 Ca -0.01 -3.21 0.00 0.00 -0.02 0.00 0.00 54.58 51.34 2poa n ASN 34 Cb 0.31 -1.05 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 2poa n ASN 34 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2poa n THR 35 N 0.12 0.00 -3.59 5.53 -1.04 -1.01 -5.02 114.28 109.28 2poa n THR 35 Ca 0.37 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.98 2poa n THR 35 Cb 0.59 -0.14 -0.11 0.00 -1.82 0.00 0.00 70.33 68.86 2poa n THR 35 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2poa s VAL 36 N -1.49 4.53 0.12 12.58 1.01 0.28 -5.05 120.40 132.38 2poa s VAL 36 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 61.98 60.66 2poa s VAL 36 Cb 0.00 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.64 2poa s VAL 36 CO 0.00 -0.30 1.35 0.35 0.00 0.00 0.00 175.10 176.50 2poa n THR 37 N 4.99 0.19 -1.95 3.92 -2.24 -1.26 -4.61 114.28 113.31 2poa n THR 37 Ca -0.12 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 2poa n THR 37 Cb 0.45 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 2poa n THR 37 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2poa s PRO 38 N 0.37 2.55 -1.34 -0.78 0.04 -1.26 -4.82 135.00 129.76 2poa s PRO 38 Ca 0.81 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 2poa s PRO 38 Cb -0.88 -4.42 0.10 0.00 0.04 0.00 0.00 34.50 29.34 2poa s PRO 38 CO 0.46 -2.81 1.90 2.41 0.04 0.00 0.00 177.00 179.00 2poa n THR 39 N 7.37 3.94 -2.31 1.26 -1.04 -1.26 -4.78 114.28 117.45 2poa n THR 39 Ca 0.24 -3.91 -0.43 0.00 -2.04 0.00 0.00 64.05 57.91 2poa n THR 39 Cb 0.52 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 2poa n THR 39 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2poa n VAL 40 N 4.77 3.95 -2.10 12.58 0.24 -1.26 -1.81 118.33 134.71 2poa n VAL 40 Ca 0.45 -3.95 -0.34 0.00 -2.04 0.00 0.00 64.34 58.47 2poa n VAL 40 Cb 0.40 -2.46 -0.04 0.00 -1.47 0.00 0.00 33.84 30.28 2poa n VAL 40 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2poa s THR 41 N 2.39 3.45 -0.32 3.34 2.01 -1.24 -4.75 115.64 120.51 2poa s THR 41 Ca 0.46 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.17 2poa s THR 41 Cb 0.07 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2poa s THR 41 CO -0.01 -1.03 0.61 0.12 -0.69 0.00 0.00 174.62 173.62 2poa s PHE 42 N 9.12 3.19 -0.08 4.92 5.36 -0.40 -0.61 117.98 139.49 2poa s PHE 42 Ca 0.66 0.47 -0.08 0.00 -0.96 0.00 0.00 56.93 57.02 2poa s PHE 42 Cb -0.09 -3.01 0.02 0.00 -0.34 0.00 0.00 43.02 39.60 2poa s PHE 42 CO 0.09 -0.51 0.22 0.95 -1.46 0.00 0.00 175.22 174.51 2poa s THR 43 N 2.59 0.00 -0.52 0.12 -4.23 -0.32 -0.28 115.64 113.01 2poa s THR 43 Ca 0.24 -0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.44 2poa s THR 43 Cb -0.15 -0.32 0.02 0.00 1.34 0.00 0.00 72.50 73.38 2poa s THR 43 CO 0.13 -0.01 1.33 -0.32 -0.54 0.00 0.00 174.62 175.21 2poa s MET 44 N 0.07 3.47 -0.89 3.99 1.75 -1.26 0.03 119.30 126.45 2poa s MET 44 Ca -0.01 0.55 -0.15 0.00 -1.25 0.00 0.00 55.69 54.84 2poa s MET 44 Cb -0.02 -4.05 0.20 0.00 2.84 0.00 0.00 34.83 33.80 2poa s MET 44 CO 0.00 -1.72 0.91 0.34 -0.65 0.00 0.00 175.02 173.90 2poa s ASP 45 N 3.76 6.77 0.00 1.11 2.15 -0.27 -4.82 116.67 125.37 2poa s ASP 45 Ca 0.52 -2.58 0.00 0.00 0.43 0.00 0.00 52.55 50.92 2poa s ASP 45 Cb -0.10 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2poa s ASP 45 CO 0.28 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 2poa n GLY 46 N 4.31 2.29 0.73 2.66 0.00 -1.26 -3.69 105.19 110.23 2poa n GLY 46 Ca 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2poa n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2poa n ASP 47 N 4.42 1.33 -4.83 1.61 2.03 -1.26 -5.12 116.55 114.73 2poa n ASP 47 Ca 0.00 0.20 -0.22 0.00 0.52 0.00 0.00 54.79 55.29 2poa n ASP 47 Cb 0.00 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 39.90 2poa n ASP 47 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2poa s LYS 48 N -2.29 2.86 0.32 -0.67 -2.85 -1.24 -4.99 119.74 110.87 2poa s LYS 48 Ca -0.10 -1.13 -0.26 0.00 -1.00 0.00 0.00 55.97 53.49 2poa s LYS 48 Cb 0.02 -2.53 -0.10 0.00 -2.06 0.00 0.00 37.83 33.16 2poa s LYS 48 CO 0.15 0.32 0.93 0.00 0.10 0.00 0.00 175.35 176.84 2poa s MET 49 N -3.88 4.56 -0.04 1.78 0.23 -0.79 -1.12 119.30 120.05 2poa s MET 49 Ca 0.35 1.29 -0.01 0.00 -1.03 0.00 0.00 55.69 56.29 2poa s MET 49 Cb -0.07 -2.80 0.03 0.00 -1.53 0.00 0.00 34.83 30.46 2poa s MET 49 CO 0.25 0.28 0.06 0.99 -2.03 0.00 0.00 175.02 174.58 2poa s THR 50 N -1.62 -0.09 -0.55 3.16 2.01 0.10 -1.83 115.64 116.83 2poa s THR 50 Ca 0.50 0.28 -0.25 0.00 0.31 0.00 0.00 61.69 62.53 2poa s THR 50 Cb -0.18 -0.14 0.04 0.00 0.01 0.00 0.00 72.50 72.23 2poa s THR 50 CO 0.23 0.12 0.98 -0.04 -0.69 0.00 0.00 174.62 175.22 2poa s MET 51 N 1.48 3.38 -1.26 4.92 -1.94 -0.43 -1.17 119.30 124.28 2poa s MET 51 Ca -0.04 -0.15 -0.08 0.00 -1.71 0.00 0.00 55.69 53.70 2poa s MET 51 Cb -0.12 -4.04 0.18 0.00 2.01 0.00 0.00 34.83 32.86 2poa s MET 51 CO -0.04 -1.49 1.90 1.28 -0.01 0.00 0.00 175.02 176.67 2poa n LEU 52 N 7.57 6.82 -4.65 -0.03 4.77 0.22 -1.22 117.00 130.48 2poa n LEU 52 Ca 0.03 -4.74 -0.42 0.00 -0.03 0.00 0.00 56.01 50.84 2poa n LEU 52 Cb 0.48 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 2poa n LEU 52 CO 0.65 1.51 1.46 -0.89 -1.33 0.00 0.00 177.39 178.78 2poa s THR 53 N -0.19 3.41 -0.57 -5.08 2.01 -0.62 -3.73 115.64 110.88 2poa s THR 53 Ca 0.40 0.49 0.06 0.00 0.31 0.00 0.00 61.69 62.95 2poa s THR 53 Cb 0.10 -3.33 0.22 0.00 0.01 0.00 0.00 72.50 69.50 2poa s THR 53 CO 0.00 -0.06 0.57 1.21 -0.69 0.00 0.00 174.62 175.65 2poa n GLU 54 N 7.36 1.59 -4.42 4.92 2.13 -0.75 -0.07 120.64 131.40 2poa n GLU 54 Ca 0.19 -4.07 -0.21 0.00 0.66 0.00 0.00 57.16 53.73 2poa n GLU 54 Cb 0.43 -1.94 -0.10 0.00 0.27 0.00 0.00 31.44 30.09 2poa n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2poa s SER 55 N -1.55 2.63 0.22 4.31 0.01 -0.44 -4.32 113.70 114.55 2poa s SER 55 Ca 0.34 -1.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.29 2poa s SER 55 Cb 0.09 -0.14 0.18 0.00 0.21 0.00 0.00 66.02 66.36 2poa s SER 55 CO -0.10 -0.40 1.89 0.74 0.41 0.00 0.00 173.24 175.78 2poa h THR 56 N 2.27 1.19 0.10 1.44 2.02 -1.92 -2.61 112.91 115.41 2poa h THR 56 Ca -0.40 -0.37 -0.36 0.00 0.77 0.00 0.00 66.41 66.05 2poa h THR 56 Cb 1.23 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2poa h THR 56 CO 0.67 0.20 -2.00 0.49 0.37 0.00 0.00 175.52 175.25 2poa n PHE 57 N -4.54 1.14 -3.63 3.16 3.72 -1.26 -4.70 117.46 111.36 2poa n PHE 57 Ca 0.08 0.26 -0.37 0.00 -0.05 0.00 0.00 57.45 57.37 2poa n PHE 57 Cb 0.02 -1.15 -0.07 0.00 -0.94 0.00 0.00 39.48 37.34 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2poa s LYS 58 N -2.56 3.14 -0.96 -1.08 1.02 -1.23 -4.75 119.74 113.32 2poa s LYS 58 Ca -0.21 -3.01 -0.13 0.00 0.02 0.00 0.00 55.97 52.64 2poa s LYS 58 Cb 0.07 -3.95 0.22 0.00 -0.52 0.00 0.00 37.83 33.65 2poa s LYS 58 CO 0.76 -1.24 0.97 1.21 -0.92 0.00 0.00 175.35 176.14 2poa s ASN 59 N 0.31 6.94 -0.07 2.83 3.84 -0.99 -1.33 114.94 126.48 2poa s ASN 59 Ca 0.24 -2.91 -0.30 0.00 0.21 0.00 0.00 52.86 50.10 2poa s ASN 59 Cb -0.11 -2.25 0.07 0.00 -0.55 0.00 0.00 41.25 38.41 2poa s ASN 59 CO -0.09 -0.56 0.70 -1.48 -2.79 0.00 0.00 177.10 172.87 2poa s LEU 60 N 0.17 -0.66 -0.06 3.21 0.05 0.90 -4.95 118.68 117.34 2poa s LEU 60 Ca 0.26 0.77 -0.06 0.00 0.05 0.00 0.00 54.13 55.15 2poa s LEU 60 Cb -0.09 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.52 2poa s LEU 60 CO -0.08 -0.57 0.18 -0.94 -0.55 0.00 0.00 176.35 174.39 2poa s SER 61 N -1.05 6.41 -0.04 1.48 1.04 -1.26 -1.59 113.70 118.69 2poa s SER 61 Ca -0.10 0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.81 2poa s SER 61 Cb -0.00 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 64.07 2poa s SER 61 CO 0.09 0.33 -0.08 -0.69 0.98 0.00 0.00 173.24 173.87 2poa s VAL 62 N -1.17 0.79 0.02 5.02 1.01 -0.36 -4.99 120.40 120.72 2poa s VAL 62 Ca 0.21 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2poa s VAL 62 Cb -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2poa s VAL 62 CO 0.11 0.26 -0.23 -0.89 0.00 0.00 0.00 175.10 174.35 2poa s THR 63 N 0.50 1.85 0.02 3.92 2.01 -1.26 -1.31 115.64 121.37 2poa s THR 63 Ca -0.08 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 2poa s THR 63 Cb -0.12 -1.57 0.10 0.00 0.01 0.00 0.00 72.50 70.92 2poa s THR 63 CO 0.01 0.36 1.06 0.72 -0.69 0.00 0.00 174.62 176.09 2poa s PHE 64 N -0.70 -0.16 0.43 4.92 -0.12 -0.76 -5.01 117.98 116.58 2poa s PHE 64 Ca 0.09 -0.02 0.06 0.00 -0.05 0.00 0.00 56.93 57.01 2poa s PHE 64 Cb -0.09 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.81 2poa s PHE 64 CO 0.01 -0.53 0.07 -1.59 -0.05 0.00 0.00 175.22 173.13 2poa s LYS 65 N -2.90 2.08 -1.06 1.99 -2.85 -1.26 -1.89 119.74 113.85 2poa s LYS 65 Ca 0.11 -2.07 -0.23 0.00 -1.00 0.00 0.00 55.97 52.77 2poa s LYS 65 Cb 0.00 -1.74 -0.06 0.00 -2.06 0.00 0.00 37.83 33.97 2poa s LYS 65 CO -0.03 -0.13 1.92 -0.59 0.10 0.00 0.00 175.35 176.62 2poa s PHE 66 N -2.70 1.93 0.00 1.78 -0.12 -1.26 -2.69 117.98 114.92 2poa s PHE 66 Ca 0.33 0.44 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 2poa s PHE 66 Cb 0.07 -4.06 0.00 0.00 -0.63 0.00 0.00 43.02 38.40 2poa s PHE 66 CO 0.17 -1.48 0.00 0.41 -0.05 0.00 0.00 175.22 174.28 2poa n GLY 67 N 6.28 1.22 3.77 1.99 0.00 -0.95 -4.88 105.19 112.62 2poa n GLY 67 Ca 0.43 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 2poa n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2poa s GLU 68 N 0.00 4.35 -1.17 1.61 0.41 -1.10 -4.36 118.70 118.44 2poa s GLU 68 Ca 0.00 1.57 -0.20 0.00 -0.41 0.00 0.00 54.97 55.93 2poa s GLU 68 Cb 0.00 -2.76 0.06 0.00 -1.78 0.00 0.00 34.13 29.66 2poa s GLU 68 CO 0.00 0.01 1.59 -1.83 -0.49 0.00 0.00 175.26 174.54 2poa s GLU 69 N -2.14 3.81 -0.16 1.61 -1.05 -1.26 -1.33 118.70 118.17 2poa s GLU 69 Ca 0.53 -1.62 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 2poa s GLU 69 Cb -0.24 -5.44 -0.00 0.00 -0.44 0.00 0.00 34.13 28.00 2poa s GLU 69 CO 0.31 -2.22 1.08 -0.59 0.95 0.00 0.00 175.26 174.79 2poa s PHE 70 N 4.48 3.30 0.07 4.83 -0.12 -0.80 -4.53 117.98 125.21 2poa s PHE 70 Ca 0.50 1.41 -0.22 0.00 -0.05 0.00 0.00 56.93 58.56 2poa s PHE 70 Cb 0.02 -3.30 -0.06 0.00 -0.63 0.00 0.00 43.02 39.05 2poa s PHE 70 CO -0.01 -0.68 0.67 0.16 -0.05 0.00 0.00 175.22 175.32 2poa s ASP 71 N 1.31 7.15 0.04 1.98 1.47 -1.26 -2.11 116.67 125.26 2poa s ASP 71 Ca 0.48 1.37 0.02 0.00 1.18 0.00 0.00 52.55 55.61 2poa s ASP 71 Cb -0.18 -2.42 -0.02 0.00 -0.34 0.00 0.00 42.92 39.96 2poa s ASP 71 CO 0.13 0.16 -0.08 -1.83 0.68 0.00 0.00 175.17 174.22 2poa s GLU 72 N -0.64 0.54 -0.20 2.11 -1.05 -0.37 -4.99 118.70 114.09 2poa s GLU 72 Ca 0.33 -0.68 -0.15 0.00 -0.15 0.00 0.00 54.97 54.33 2poa s GLU 72 Cb -0.20 -0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.09 2poa s GLU 72 CO 0.21 0.07 0.34 -1.59 0.95 0.00 0.00 175.26 175.24 2poa s LYS 73 N -1.34 4.18 0.68 -4.83 0.00 -1.26 -0.78 119.74 116.39 2poa s LYS 73 Ca -0.07 0.11 -0.11 0.00 0.00 0.00 0.00 55.97 55.89 2poa s LYS 73 Cb -0.09 -3.51 -0.00 0.00 0.00 0.00 0.00 37.83 34.23 2poa s LYS 73 CO 0.00 0.04 1.06 0.95 0.00 0.00 0.00 175.35 177.41 2poa s THR 74 N 1.06 4.01 0.43 3.79 -4.23 -0.74 -4.84 115.64 115.13 2poa s THR 74 Ca 0.17 0.65 0.26 0.00 -1.18 0.00 0.00 61.69 61.59 2poa s THR 74 Cb -0.14 -3.58 0.46 0.00 1.34 0.00 0.00 72.50 70.58 2poa s THR 74 CO 0.06 -0.85 1.68 0.77 -0.54 0.00 0.00 174.62 175.74 2poa h SER 75 N -0.58 0.30 0.09 3.99 4.64 -1.93 -0.34 113.55 119.72 2poa h SER 75 Ca -0.45 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 2poa h SER 75 Cb 1.22 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2poa h SER 75 CO 0.61 -0.08 -0.08 0.44 -0.87 0.00 0.00 176.83 176.86 2poa h ASP 76 N 0.19 0.00 -1.23 4.97 5.19 -1.96 -3.49 116.42 120.09 2poa h ASP 76 Ca 0.73 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2poa h ASP 76 Cb 2.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.71 2poa h ASP 76 CO -0.35 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.45 2poa n GLY 77 N -1.26 0.34 2.87 2.75 0.00 -0.14 -5.01 105.19 104.75 2poa n GLY 77 Ca -0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 2poa n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2poa s ARG 78 N -2.26 0.34 -0.27 1.61 1.81 -1.26 -4.91 118.95 114.02 2poa s ARG 78 Ca 0.00 0.32 -0.29 0.00 -1.72 0.00 0.00 55.73 54.04 2poa s ARG 78 Cb 0.00 -0.55 -0.01 0.00 -0.45 0.00 0.00 34.95 33.94 2poa s ARG 78 CO 0.00 -0.78 1.47 0.54 -0.68 0.00 0.00 175.30 175.85 2poa s ASN 79 N 2.50 6.50 -0.00 0.23 2.20 -1.26 -1.78 114.94 123.32 2poa s ASN 79 Ca 0.11 1.39 0.02 0.00 -0.94 0.00 0.00 52.86 53.44 2poa s ASN 79 Cb -0.15 -2.54 -0.00 0.00 -2.00 0.00 0.00 41.25 36.56 2poa s ASN 79 CO -0.21 -1.20 -0.05 0.68 -2.94 0.00 0.00 177.10 173.38 2poa s VAL 80 N 4.88 0.43 0.49 3.54 -7.23 0.04 -4.48 120.40 118.07 2poa s VAL 80 Ca 0.64 -0.25 0.07 0.00 -1.81 0.00 0.00 61.98 60.63 2poa s VAL 80 Cb -0.21 -0.37 0.04 0.00 0.56 0.00 0.00 36.38 36.40 2poa s VAL 80 CO 0.27 0.11 0.67 -0.54 -0.31 0.00 0.00 175.10 175.29 2poa s LYS 81 N -0.16 2.62 -0.28 4.82 1.02 -0.13 -1.24 119.74 126.38 2poa s LYS 81 Ca 0.02 -1.25 0.02 0.00 0.02 0.00 0.00 55.97 54.78 2poa s LYS 81 Cb -0.02 -2.67 0.17 0.00 -0.52 0.00 0.00 37.83 34.79 2poa s LYS 81 CO -0.00 -0.52 0.49 -1.12 -0.92 0.00 0.00 175.35 173.28 2poa s SER 82 N -4.45 -0.51 -0.60 2.83 0.01 -0.90 -0.51 113.70 109.57 2poa s SER 82 Ca 0.57 0.08 -0.26 0.00 1.31 0.00 0.00 55.95 57.66 2poa s SER 82 Cb -0.09 1.55 0.04 0.00 0.21 0.00 0.00 66.02 67.73 2poa s SER 82 CO 0.36 -0.31 1.08 0.54 0.41 0.00 0.00 173.24 175.31 2poa s VAL 83 N 2.68 4.15 0.11 3.43 0.11 -0.19 -1.91 120.40 128.78 2poa s VAL 83 Ca 0.12 0.45 -0.27 0.00 -2.93 0.00 0.00 61.98 59.35 2poa s VAL 83 Cb -0.13 -4.68 -0.06 0.00 -1.53 0.00 0.00 36.38 29.98 2poa s VAL 83 CO -0.25 -1.34 0.86 -0.69 -3.33 0.00 0.00 175.10 170.35 2poa s VAL 84 N 4.58 4.51 -0.08 2.04 1.01 -0.44 -1.93 120.40 130.08 2poa s VAL 84 Ca 0.35 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 64.07 2poa s VAL 84 Cb -0.10 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.08 2poa s VAL 84 CO 0.20 0.39 0.30 -0.70 0.00 0.00 0.00 175.10 175.28 2poa s GLU 85 N -0.32 0.44 -0.15 2.72 2.56 -1.25 -2.24 118.70 120.45 2poa s GLU 85 Ca 0.42 0.23 -0.29 0.00 0.00 0.00 0.00 54.97 55.33 2poa s GLU 85 Cb -0.23 0.20 -0.02 0.00 2.00 0.00 0.00 34.13 36.09 2poa s GLU 85 CO 0.27 -0.08 1.32 0.21 -0.56 0.00 0.00 175.26 176.42 2poa s LYS 86 N -0.27 4.22 -0.15 4.30 2.20 -1.26 -1.36 119.74 127.41 2poa s LYS 86 Ca -0.04 1.74 -0.25 0.00 -0.36 0.00 0.00 55.97 57.06 2poa s LYS 86 Cb -0.03 -3.80 -0.22 0.00 -1.51 0.00 0.00 37.83 32.27 2poa s LYS 86 CO 0.01 -0.73 0.57 -0.97 -0.36 0.00 0.00 175.35 173.87 2poa h ASN 87 N 8.41 0.00 -3.94 1.43 -0.73 -0.72 -3.49 115.58 116.54 2poa h ASN 87 Ca -0.28 -0.80 -0.45 0.00 1.87 0.00 0.00 56.30 56.64 2poa h ASN 87 Cb 1.11 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.57 2poa h ASN 87 CO 0.97 1.06 -0.57 -0.55 -0.37 0.00 0.00 177.43 177.97 2poa s SER 88 N -6.29 1.97 0.00 1.15 0.15 -0.68 -4.97 113.70 105.03 2poa s SER 88 Ca -0.20 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 54.94 2poa s SER 88 Cb -0.01 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2poa s SER 88 CO 0.61 -0.80 0.70 -0.62 1.20 0.00 0.00 173.24 174.32 2poa n GLU 89 N -0.67 0.00 -1.29 5.44 -0.58 -1.26 -1.69 120.64 120.59 2poa n GLU 89 Ca -0.02 0.22 0.01 0.00 -0.42 0.00 0.00 57.16 56.96 2poa n GLU 89 Cb 0.66 -1.53 0.11 0.00 -0.57 0.00 0.00 31.44 30.11 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2poa n SER 90 N -1.20 1.86 -3.20 1.62 3.41 -1.26 -3.34 113.62 111.51 2poa n SER 90 Ca 0.00 -3.07 0.04 0.00 -0.26 0.00 0.00 58.87 55.57 2poa n SER 90 Cb 0.03 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 2poa n SER 90 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2poa s LYS 91 N -2.25 0.54 -0.01 4.33 2.36 -0.68 -2.01 119.74 122.02 2poa s LYS 91 Ca 0.37 1.01 0.01 0.00 -2.55 0.00 0.00 55.97 54.81 2poa s LYS 91 Cb 0.38 0.56 0.00 0.00 -1.05 0.00 0.00 37.83 37.73 2poa s LYS 91 CO -0.09 -0.55 -0.02 -1.17 1.55 0.00 0.00 175.35 175.07 2poa s LEU 92 N 2.87 1.84 -0.72 5.43 0.20 -0.46 0.09 118.68 127.93 2poa s LEU 92 Ca 0.17 -0.04 0.05 0.00 0.69 0.00 0.00 54.13 54.99 2poa s LEU 92 Cb -0.14 -0.15 0.18 0.00 -0.43 0.00 0.00 46.19 45.65 2poa s LEU 92 CO -0.20 0.01 0.56 1.07 -0.29 0.00 0.00 176.35 177.50 2poa n THR 93 N 3.24 1.88 -1.14 3.68 5.66 -0.47 -0.14 114.28 127.00 2poa n THR 93 Ca -0.15 -4.95 -0.31 0.00 -3.05 0.00 0.00 64.05 55.59 2poa n THR 93 Cb 0.57 -2.19 -0.05 0.00 -1.55 0.00 0.00 70.33 67.11 2poa n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2poa n GLN 94 N 1.83 3.09 -1.59 1.09 10.64 -1.26 -3.87 117.38 127.31 2poa n GLN 94 Ca 0.21 -1.84 -0.45 0.00 -1.83 0.00 0.00 57.00 53.09 2poa n GLN 94 Cb 0.36 -2.59 -0.04 0.00 -0.86 0.00 0.00 30.24 27.11 2poa n GLN 94 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2poa n THR 95 N 3.51 0.41 -2.46 -0.39 -1.04 -0.82 -4.12 114.28 109.38 2poa n THR 95 Ca 0.66 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.93 2poa n THR 95 Cb 0.32 -2.23 -0.03 0.00 -1.82 0.00 0.00 70.33 66.57 2poa n THR 95 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2poa s GLN 96 N 5.70 4.32 -0.73 -2.82 -0.21 -1.26 -1.02 119.66 123.64 2poa s GLN 96 Ca 1.00 1.66 -0.05 0.00 0.02 0.00 0.00 55.36 57.98 2poa s GLN 96 Cb -0.51 -3.62 0.19 0.00 1.00 0.00 0.00 33.01 30.07 2poa s GLN 96 CO 0.42 -0.52 0.59 0.08 -2.12 0.00 0.00 175.29 173.74 2poa s VAL 97 N 2.59 4.34 0.60 1.09 1.01 0.33 -1.18 120.40 129.17 2poa s VAL 97 Ca 0.55 -3.02 0.08 0.00 0.00 0.00 0.00 61.98 59.60 2poa s VAL 97 Cb -0.23 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.49 2poa s VAL 97 CO 0.19 -0.96 0.82 -1.81 0.00 0.00 0.00 175.10 173.35 2poa s ASP 98 N 0.90 4.99 0.42 3.32 1.11 -1.26 -0.96 116.67 125.19 2poa s ASP 98 Ca 0.19 -0.80 0.23 0.00 0.18 0.00 0.00 52.55 52.35 2poa s ASP 98 Cb -0.15 0.28 1.24 0.00 1.07 0.00 0.00 42.92 45.35 2poa s ASP 98 CO -0.06 -1.42 1.66 1.55 1.18 0.00 0.00 175.17 178.07 2poa h PRO 99 N 0.07 0.00 0.15 8.23 0.13 -1.98 -2.29 132.00 136.32 2poa h PRO 99 Ca -0.30 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.48 2poa h PRO 99 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2poa h PRO 99 CO 0.40 0.00 -1.78 0.87 -0.23 0.00 0.00 178.00 177.27 2poa h LYS 100 N 0.00 0.33 -3.86 0.86 1.79 -1.94 -3.51 116.57 110.23 2poa h LYS 100 Ca 0.00 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2poa h LYS 100 Cb 0.32 0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 2poa h LYS 100 CO 0.00 1.23 -0.65 0.09 -1.08 0.00 0.00 179.45 179.04 2poa n ASN 101 N -3.52 -1.78 -4.82 0.86 3.02 -0.86 -5.07 115.26 103.08 2poa n ASN 101 Ca -0.25 0.59 -0.33 0.00 -0.03 0.00 0.00 54.58 54.56 2poa n ASN 101 Cb 1.06 -2.84 -0.04 0.00 -0.61 0.00 0.00 39.78 37.35 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2poa s THR 102 N -0.35 4.28 0.92 3.41 2.01 -0.33 -4.88 115.64 120.69 2poa s THR 102 Ca -0.11 1.26 -0.12 0.00 0.31 0.00 0.00 61.69 63.03 2poa s THR 102 Cb 0.01 -3.60 0.14 0.00 0.01 0.00 0.00 72.50 69.06 2poa s THR 102 CO 0.34 -0.47 1.10 -0.89 -0.69 0.00 0.00 174.62 174.01 2poa s THR 103 N -2.35 2.47 -0.41 -0.82 2.01 -1.24 -4.38 115.64 110.93 2poa s THR 103 Ca 0.62 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 2poa s THR 103 Cb -0.11 -2.69 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 2poa s THR 103 CO 0.24 -0.20 2.33 1.33 -0.69 0.00 0.00 174.62 177.62 2poa n VAL 104 N -3.91 0.12 -2.68 3.82 0.24 -1.26 -4.46 118.33 110.20 2poa n VAL 104 Ca 0.06 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.34 61.42 2poa n VAL 104 Cb 0.56 -2.30 0.01 0.00 -1.47 0.00 0.00 33.84 30.63 2poa n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2poa n ILE 105 N 7.72 4.62 -1.72 1.34 -0.00 -1.26 -4.61 119.36 125.45 2poa n ILE 105 Ca 0.38 -4.93 -0.43 0.00 -0.00 0.00 0.00 62.75 57.77 2poa n ILE 105 Cb 0.41 -2.32 -0.03 0.00 -0.00 0.00 0.00 39.64 37.70 2poa n ILE 105 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 2poa s VAL 106 N -0.42 3.14 -0.49 7.28 -7.23 -1.26 -4.11 120.40 117.31 2poa s VAL 106 Ca 0.37 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.50 2poa s VAL 106 Cb 0.05 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.87 2poa s VAL 106 CO 0.03 -0.12 0.56 0.00 -0.31 0.00 0.00 175.10 175.26 2poa s ARG 107 N 6.15 3.09 -0.20 4.82 1.70 0.81 -3.01 118.95 132.30 2poa s ARG 107 Ca 0.95 -0.99 -0.00 0.00 -0.47 0.00 0.00 55.73 55.21 2poa s ARG 107 Cb -0.30 -4.10 0.02 0.00 -0.57 0.00 0.00 34.95 30.00 2poa s ARG 107 CO 0.35 -1.15 -0.15 -2.00 -1.08 0.00 0.00 175.30 171.27 2poa s GLU 108 N 2.36 3.03 -0.18 3.89 2.12 -0.55 -1.35 118.70 128.02 2poa s GLU 108 Ca 0.12 -0.82 -0.21 0.00 0.36 0.00 0.00 54.97 54.43 2poa s GLU 108 Cb -0.20 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 2poa s GLU 108 CO 0.11 -0.24 0.62 0.54 -0.54 0.00 0.00 175.26 175.75 2poa s VAL 109 N 1.33 5.04 -1.30 3.70 0.11 -0.85 -0.28 120.40 128.14 2poa s VAL 109 Ca 0.04 1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 60.21 2poa s VAL 109 Cb -0.14 -3.94 0.14 0.00 -1.53 0.00 0.00 36.38 30.91 2poa s VAL 109 CO -0.10 0.14 2.16 0.47 -3.33 0.00 0.00 175.10 174.45 2poa n ASP 110 N 4.80 6.79 0.00 3.54 9.92 -0.58 -4.84 116.55 136.17 2poa n ASP 110 Ca -0.02 -3.13 0.00 0.00 -0.53 0.00 0.00 54.79 51.11 2poa n ASP 110 Cb 0.50 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2poa n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2poa n GLY 111 N 2.17 1.63 2.38 0.44 0.00 -1.26 -3.93 105.19 106.63 2poa n GLY 111 Ca 0.52 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 2poa n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2poa n ASP 112 N 4.94 3.47 -3.50 1.61 8.00 -1.26 -4.82 116.55 124.98 2poa n ASP 112 Ca 0.00 -3.01 -0.29 0.00 0.71 0.00 0.00 54.79 52.20 2poa n ASP 112 Cb 0.00 -0.40 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2poa s THR 113 N -4.27 0.01 -0.52 -3.53 -1.32 -1.25 -2.44 115.64 102.33 2poa s THR 113 Ca 0.41 -1.17 -0.28 0.00 -1.21 0.00 0.00 61.69 59.44 2poa s THR 113 Cb 0.37 -1.03 -0.00 0.00 -1.51 0.00 0.00 72.50 70.32 2poa s THR 113 CO 0.00 -0.84 1.63 -0.32 -2.21 0.00 0.00 174.62 172.88 2poa s MET 114 N 1.65 3.13 -0.69 7.08 1.75 -0.17 -1.53 119.30 130.52 2poa s MET 114 Ca 0.13 0.75 -0.18 0.00 -1.25 0.00 0.00 55.69 55.14 2poa s MET 114 Cb -0.19 -4.21 0.14 0.00 2.84 0.00 0.00 34.83 33.40 2poa s MET 114 CO -0.20 -2.13 0.76 0.21 -0.65 0.00 0.00 175.02 173.01 2poa s LYS 115 N 5.96 3.25 -0.41 4.11 2.20 0.61 -2.32 119.74 133.14 2poa s LYS 115 Ca 0.63 -1.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.44 2poa s LYS 115 Cb -0.14 -4.41 0.05 0.00 -1.51 0.00 0.00 37.83 31.82 2poa s LYS 115 CO 0.26 -1.51 0.28 -0.08 -0.36 0.00 0.00 175.35 173.95 2poa s THR 116 N 2.04 4.79 -0.92 3.43 -1.32 0.37 -1.48 115.64 122.55 2poa s THR 116 Ca 0.15 -0.98 -0.24 0.00 -1.21 0.00 0.00 61.69 59.41 2poa s THR 116 Cb -0.19 -3.77 0.04 0.00 -1.51 0.00 0.00 72.50 67.07 2poa s THR 116 CO 0.00 -0.39 1.44 -0.89 -2.21 0.00 0.00 174.62 172.57 2poa s THR 117 N 1.57 3.82 -0.73 5.08 2.01 -1.17 -1.03 115.64 125.21 2poa s THR 117 Ca 0.03 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 2poa s THR 117 Cb -0.21 -4.93 0.07 0.00 0.01 0.00 0.00 72.50 67.44 2poa s THR 117 CO 0.06 -1.84 1.06 0.54 -0.69 0.00 0.00 174.62 173.75 2poa s VAL 118 N 5.59 4.28 0.13 3.82 0.11 0.04 -4.21 120.40 130.16 2poa s VAL 118 Ca 0.45 -0.46 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 2poa s VAL 118 Cb -0.03 -4.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.03 2poa s VAL 118 CO -0.02 -1.54 -0.06 0.28 -3.33 0.00 0.00 175.10 170.42 2poa s THR 119 N 4.14 3.50 -0.43 5.04 -1.32 -1.26 -1.01 115.64 124.29 2poa s THR 119 Ca 0.27 -1.33 0.06 0.00 -1.21 0.00 0.00 61.69 59.48 2poa s THR 119 Cb -0.13 -2.68 0.20 0.00 -1.51 0.00 0.00 72.50 68.37 2poa s THR 119 CO 0.07 0.03 0.49 0.52 -2.21 0.00 0.00 174.62 173.52 2poa n VAL 120 N 0.40 -0.79 0.00 5.08 0.31 -1.26 -3.58 118.33 118.49 2poa n VAL 120 Ca -0.12 -3.02 0.00 0.00 -0.01 0.00 0.00 64.34 61.19 2poa n VAL 120 Cb 0.53 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2poa n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2poa n GLY 121 N 2.39 1.08 1.77 2.92 0.00 -1.26 -4.39 105.19 107.71 2poa n GLY 121 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 2poa n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2poa n ASP 122 N 2.39 -0.85 0.08 1.61 5.68 -1.26 -5.01 116.55 119.18 2poa n ASP 122 Ca 0.00 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 2poa n ASP 122 Cb 0.00 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2poa n VAL 123 N -0.57 0.55 -2.94 2.12 0.31 -1.26 -5.12 118.33 111.42 2poa n VAL 123 Ca -0.19 0.18 -0.05 0.00 -0.01 0.00 0.00 64.34 64.27 2poa n VAL 123 Cb 0.81 -1.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.75 2poa n VAL 123 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2poa n THR 124 N -3.31-10.72 -3.32 2.52 -1.04 -1.25 -4.92 114.28 92.24 2poa n THR 124 Ca 0.00 0.44 -0.45 0.00 -2.04 0.00 0.00 64.05 62.01 2poa n THR 124 Cb 0.00 -7.14 -0.06 0.00 -1.82 0.00 0.00 70.33 61.30 2poa n THR 124 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2poa s ALA 125 N -2.76 3.56 -0.39 2.41 0.00 -0.18 -4.61 121.76 119.79 2poa s ALA 125 Ca 0.15 -2.23 -0.27 0.00 0.00 0.00 0.00 51.96 49.61 2poa s ALA 125 Cb -0.04 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2poa s ALA 125 CO 0.76 -1.90 2.02 -1.50 0.00 0.00 0.00 175.76 175.14 2poa s ILE 126 N 1.80 3.26 -0.61 0.00 1.10 -1.26 -0.78 121.20 124.71 2poa s ILE 126 Ca 0.05 0.23 -0.15 0.00 -0.51 0.00 0.00 60.65 60.28 2poa s ILE 126 Cb -0.26 -3.44 0.15 0.00 0.15 0.00 0.00 42.46 39.06 2poa s ILE 126 CO 0.06 -0.34 0.56 -0.13 -2.11 0.00 0.00 174.94 172.97 2poa s ARG 127 N 6.58 3.10 -0.16 3.50 0.52 -0.19 -3.63 118.95 128.66 2poa s ARG 127 Ca 0.85 -1.93 -0.07 0.00 -0.52 0.00 0.00 55.73 54.06 2poa s ARG 127 Cb -0.22 -4.29 -0.04 0.00 0.52 0.00 0.00 34.95 30.92 2poa s ARG 127 CO 0.30 -1.30 0.08 1.21 0.02 0.00 0.00 175.30 175.61 2poa s ASN 128 N 3.08 5.86 -0.09 0.23 3.84 -1.23 -0.48 114.94 126.15 2poa s ASN 128 Ca 0.07 0.21 -0.14 0.00 0.21 0.00 0.00 52.86 53.22 2poa s ASN 128 Cb -0.24 -1.94 0.03 0.00 -0.55 0.00 0.00 41.25 38.55 2poa s ASN 128 CO -0.01 0.26 0.35 -0.72 -2.79 0.00 0.00 177.10 174.19 2poa s TYR 129 N -0.13 -0.32 0.07 0.43 -0.85 -0.98 0.05 117.35 115.62 2poa s TYR 129 Ca 0.08 0.71 -0.09 0.00 -0.52 0.00 0.00 57.07 57.25 2poa s TYR 129 Cb -0.12 0.12 -0.06 0.00 0.38 0.00 0.00 41.96 42.29 2poa s TYR 129 CO 0.01 -0.27 0.38 0.15 -1.52 0.00 0.00 175.55 174.30 2poa s LYS 130 N -0.39 3.73 -0.02 -3.49 3.01 -0.55 -1.00 119.74 121.03 2poa s LYS 130 Ca -0.05 0.13 -0.30 0.00 -1.01 0.00 0.00 55.97 54.74 2poa s LYS 130 Cb -0.03 -3.01 -0.03 0.00 -1.01 0.00 0.00 37.83 33.74 2poa s LYS 130 CO 0.02 0.57 1.09 0.50 0.51 0.00 0.00 175.35 178.05 2poa s ARG 131 N -1.90 4.45 -0.05 1.68 3.52 -1.02 -2.93 118.95 122.70 2poa s ARG 131 Ca 0.32 1.57 0.04 0.00 -0.13 0.00 0.00 55.73 57.53 2poa s ARG 131 Cb -0.14 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.78 2poa s ARG 131 CO 0.18 -0.25 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.74 2poa s LEU 132 N 1.51 1.88 0.00 -0.88 1.43 0.17 -5.00 118.68 117.79 2poa s LEU 132 Ca 0.54 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2poa s LEU 132 Cb -0.24 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2poa s LEU 132 CO 0.25 0.13 0.00 -0.24 0.23 0.00 0.00 176.35 176.72