#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa n SER 2 N 0.00 -3.82 0.10 7.83 2.88 -1.26 -4.96 113.62 114.38 2poa n SER 2 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 2poa n SER 2 Cb 0.00 -1.35 0.44 0.00 -0.75 0.00 0.00 64.21 62.55 2poa n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2poa n SER 3 N -0.28 0.48 -2.78 -3.46 2.88 -1.26 -3.82 113.62 105.38 2poa n SER 3 Ca 0.00 0.63 -0.02 0.00 -1.33 0.00 0.00 58.87 58.15 2poa n SER 3 Cb 0.14 -0.73 0.06 0.00 -0.75 0.00 0.00 64.21 62.94 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 -2.05 0.55 -3.11 0.66 -1.74 -1.26 -5.07 117.46 105.44 2poa n PHE 4 Ca 0.02 -2.16 -0.40 0.00 -0.56 0.00 0.00 57.45 54.35 2poa n PHE 4 Cb 0.19 0.12 -0.06 0.00 1.52 0.00 0.00 39.48 41.24 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2poa s LEU 5 N -3.74 4.10 0.00 5.98 1.43 -1.25 -4.91 118.68 120.29 2poa s LEU 5 Ca 0.24 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2poa s LEU 5 Cb 0.36 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2poa s LEU 5 CO -0.05 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2poa n GLY 6 N 3.98 -1.51 3.82 -3.19 0.00 0.05 -4.72 105.19 103.62 2poa n GLY 6 Ca -0.01 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.74 4.23 -0.23 1.61 -2.85 -0.82 -0.93 119.74 119.02 2poa s LYS 7 Ca 0.00 0.85 0.01 0.00 -1.00 0.00 0.00 55.97 55.83 2poa s LYS 7 Cb 0.00 -2.83 0.06 0.00 -2.06 0.00 0.00 37.83 32.99 2poa s LYS 7 CO 0.00 0.37 -0.07 -1.58 0.10 0.00 0.00 175.35 174.17 2poa s TRP 8 N -1.57 2.49 -0.15 1.78 0.51 -1.20 -0.87 118.94 119.92 2poa s TRP 8 Ca 0.44 -1.77 -0.07 0.00 -2.12 0.00 0.00 56.10 52.58 2poa s TRP 8 Cb -0.16 -1.63 -0.04 0.00 -0.81 0.00 0.00 33.47 30.83 2poa s TRP 8 CO 0.21 -0.78 0.11 -1.59 -0.51 0.00 0.00 176.95 174.39 2poa s LYS 9 N 1.37 3.71 0.11 4.98 -2.85 -0.84 -4.21 119.74 122.00 2poa s LYS 9 Ca -0.05 -0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 2poa s LYS 9 Cb -0.18 -3.21 -0.10 0.00 -2.06 0.00 0.00 37.83 32.27 2poa s LYS 9 CO -0.07 0.54 1.87 -0.11 0.10 0.00 0.00 175.35 177.68 2poa n LEU 10 N 2.74 4.11 -0.09 2.77 7.94 -1.26 -0.02 117.00 133.19 2poa n LEU 10 Ca -0.18 0.97 -0.17 0.00 -1.11 0.00 0.00 56.01 55.52 2poa n LEU 10 Cb 0.53 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.82 2poa n LEU 10 CO 0.33 0.20 -0.09 -1.28 -1.11 0.00 0.00 177.39 175.45 2poa h SER 11 N 9.01 0.00 -3.65 1.96 0.87 -0.87 -3.45 113.55 117.42 2poa h SER 11 Ca -0.47 -0.68 -0.10 0.00 -1.23 0.00 0.00 61.79 59.31 2poa h SER 11 Cb 1.22 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.94 2poa h SER 11 CO 0.95 1.19 -0.19 -1.83 -0.53 0.00 0.00 176.83 176.42 2poa s GLU 12 N -2.26 0.51 -0.42 2.24 4.04 -0.91 -5.00 118.70 116.90 2poa s GLU 12 Ca -0.23 0.73 -0.14 0.00 0.04 0.00 0.00 54.97 55.37 2poa s GLU 12 Cb 0.01 0.17 0.04 0.00 0.02 0.00 0.00 34.13 34.38 2poa s GLU 12 CO 0.59 -0.10 0.32 -1.12 -1.84 0.00 0.00 175.26 173.11 2poa s SER 13 N 0.68 6.06 -0.13 0.83 0.01 -1.26 -1.87 113.70 118.02 2poa s SER 13 Ca -0.03 -1.06 -0.10 0.00 1.31 0.00 0.00 55.95 56.06 2poa s SER 13 Cb -0.05 -2.14 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 2poa s SER 13 CO -0.05 -0.50 0.13 -0.74 0.41 0.00 0.00 173.24 172.49 2poa h HIS 14 N 8.64 0.00 0.00 2.43 2.76 -1.89 -3.39 115.15 123.69 2poa h HIS 14 Ca -0.27 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2poa h HIS 14 Cb 1.11 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.07 2poa h HIS 14 CO 0.58 0.36 -0.36 0.09 -1.30 0.00 0.00 177.93 177.30 2poa n ASN 15 N -4.67 1.89 -4.16 3.26 3.02 -1.26 -4.98 115.26 108.35 2poa n ASN 15 Ca -0.07 -3.63 -0.43 0.00 -0.03 0.00 0.00 54.58 50.41 2poa n ASN 15 Cb 0.23 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2poa n PHE 16 N -1.19 4.01 0.13 3.10 7.35 -1.26 -4.20 117.46 125.39 2poa n PHE 16 Ca 0.18 -3.00 0.00 0.00 -0.76 0.00 0.00 57.45 53.87 2poa n PHE 16 Cb 0.68 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 38.22 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 5.77 -1.71 0.23 -2.13 5.75 -1.26 -4.11 116.55 119.09 2poa n ASP 17 Ca 0.43 0.47 0.08 0.00 -0.01 0.00 0.00 54.79 55.77 2poa n ASP 17 Cb 0.41 1.76 0.55 0.00 -1.03 0.00 0.00 41.12 42.80 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2poa h ALA 18 N 0.00 1.28 -0.95 2.12 0.00 -1.95 -2.96 119.26 116.81 2poa h ALA 18 Ca 0.00 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.00 2poa h ALA 18 Cb 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.60 2poa h ALA 18 CO 0.00 0.28 0.34 -0.24 0.00 0.00 0.00 179.25 179.63 2poa h VAL 19 N 0.00 0.22 0.17 0.00 3.04 -1.93 0.17 116.25 117.92 2poa h VAL 19 Ca -0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 2poa h VAL 19 Cb 0.52 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2poa h VAL 19 CO 0.03 0.03 -0.08 0.24 -1.01 0.00 0.00 177.57 176.78 2poa h MET 20 N 0.18 -0.23 -0.45 4.17 2.86 -1.91 -3.31 114.93 116.24 2poa h MET 20 Ca 0.66 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.40 2poa h MET 20 Cb 1.46 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 2poa h MET 20 CO -0.70 0.16 0.31 1.03 1.06 0.00 0.00 176.91 178.77 2poa h SER 21 N -0.92 0.20 0.65 1.22 0.87 -1.49 -0.86 113.55 113.22 2poa h SER 21 Ca -0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2poa h SER 21 Cb 0.49 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2poa h SER 21 CO 0.04 0.12 -0.17 0.07 -0.53 0.00 0.00 176.83 176.36 2poa h LYS 22 N 0.22 0.00 0.00 2.24 2.10 -0.84 -2.03 116.57 118.27 2poa h LYS 22 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2poa h LYS 22 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2poa h LYS 22 CO -0.04 0.17 0.00 1.25 -2.00 0.00 0.00 179.45 178.84 2poa h LEU 23 N 0.00 0.00 -0.67 7.07 5.85 -1.25 -3.49 115.31 122.82 2poa h LEU 23 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2poa h LEU 23 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2poa h LEU 23 CO 0.02 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.73 2poa n GLY 24 N 0.53 0.82 3.79 3.75 0.00 -0.76 -4.90 105.19 108.42 2poa n GLY 24 Ca 0.03 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.08 4.95 0.18 1.61 1.01 -1.25 -5.02 120.40 119.81 2poa s VAL 25 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 61.98 61.63 2poa s VAL 25 Cb 0.00 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 33.09 2poa s VAL 25 CO 0.00 0.60 1.20 -1.54 0.00 0.00 0.00 175.10 175.36 2poa n SER 26 N 2.01 1.51 -1.08 3.32 3.41 -1.26 -4.64 113.62 116.90 2poa n SER 26 Ca -0.19 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2poa n SER 26 Cb 0.54 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2poa n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2poa n TRP 27 N 1.58 0.00 0.00 7.33 7.02 -1.26 -1.07 117.44 131.04 2poa n TRP 27 Ca 0.15 -0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.17 2poa n TRP 27 Cb 0.25 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 0.73 2.42 -0.15 6.99 0.00 -1.26 -4.82 120.51 124.42 2poa n ALA 28 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2poa n ALA 28 Cb 0.40 0.47 0.16 0.00 0.00 0.00 0.00 19.45 20.48 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 1.24 0.00 0.00 1.35 -1.78 -2.79 112.91 110.92 2poa h THR 29 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2poa h THR 29 Cb 0.93 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2poa h THR 29 CO 0.00 0.33 0.00 -1.14 -0.25 0.00 0.00 175.52 174.46 2poa n ARG 30 N -4.25 0.03 -0.12 4.72 0.00 -0.24 -2.92 116.66 113.88 2poa n ARG 30 Ca 0.04 0.50 -0.15 0.00 -0.00 0.00 0.00 57.85 58.24 2poa n ARG 30 Cb 0.25 -1.59 -0.14 0.00 0.00 0.00 0.00 32.46 30.98 2poa n ARG 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2poa n GLN 31 N -1.65 0.67 0.04 -0.14 3.00 -1.06 -4.46 117.38 113.77 2poa n GLN 31 Ca 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 57.00 57.08 2poa n GLN 31 Cb 0.03 -1.52 0.28 0.00 0.00 0.00 0.00 30.24 29.03 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2poa h ILE 32 N 0.00 1.22 -0.87 5.09 5.03 -1.44 -2.76 117.51 123.77 2poa h ILE 32 Ca -0.57 -0.98 0.15 0.00 -0.12 0.00 0.00 64.86 63.35 2poa h ILE 32 Cb 2.03 1.18 -0.16 0.00 -3.03 0.00 0.00 36.82 36.85 2poa h ILE 32 CO -0.04 0.32 -0.31 1.23 -0.68 0.00 0.00 178.15 178.66 2poa h GLY 33 N 0.90 0.27 -3.66 5.37 0.00 -1.76 -0.99 103.07 103.19 2poa h GLY 33 Ca 0.07 0.41 -0.45 0.00 0.00 0.00 0.00 47.33 47.36 2poa h GLY 33 CO 0.03 -0.26 0.58 1.16 0.00 0.00 0.00 176.54 178.05 2poa n ASN 34 N -5.51 4.67 0.01 0.19 6.94 -1.10 -4.71 115.26 115.75 2poa n ASN 34 Ca 0.10 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.31 2poa n ASN 34 Cb 0.41 -0.84 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 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 -0.71 0.00 -3.66 5.53 -1.04 -0.93 -5.06 114.28 108.41 2poa n THR 35 Ca 0.49 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 62.10 2poa n THR 35 Cb 1.20 -0.01 -0.11 0.00 -1.82 0.00 0.00 70.33 69.59 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 -1.04 4.06 0.30 12.58 1.01 -0.42 -5.05 120.40 131.84 2poa s VAL 36 Ca 0.00 -1.31 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 2poa s VAL 36 Cb 0.00 -3.43 -0.15 0.00 0.00 0.00 0.00 36.38 32.80 2poa s VAL 36 CO 0.00 -0.39 0.67 0.35 0.00 0.00 0.00 175.10 175.73 2poa n THR 37 N 4.87 1.87 -1.81 3.92 -2.24 -1.26 -4.57 114.28 115.06 2poa n THR 37 Ca -0.10 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.79 2poa n THR 37 Cb 0.44 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.35 2.63 -1.39 -0.78 0.04 -1.26 -4.65 135.00 128.24 2poa s PRO 38 Ca 0.62 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 2poa s PRO 38 Cb -0.75 -4.42 0.05 0.00 0.04 0.00 0.00 34.50 29.42 2poa s PRO 38 CO 0.58 -2.70 2.02 2.41 0.04 0.00 0.00 177.00 179.36 2poa n THR 39 N 7.60 3.66 -2.64 1.26 -1.04 -1.26 -4.90 114.28 116.97 2poa n THR 39 Ca 0.28 -3.48 -0.42 0.00 -2.04 0.00 0.00 64.05 58.40 2poa n THR 39 Cb 0.51 -2.50 -0.03 0.00 -1.82 0.00 0.00 70.33 66.49 2poa n THR 39 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2poa s VAL 40 N 3.58 4.06 -0.92 12.58 0.11 -1.26 -3.12 120.40 135.43 2poa s VAL 40 Ca 0.50 -0.73 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2poa s VAL 40 Cb 0.10 -4.97 0.23 0.00 -1.53 0.00 0.00 36.38 30.21 2poa s VAL 40 CO -0.02 -1.82 0.86 -0.89 -3.33 0.00 0.00 175.10 169.89 2poa s THR 41 N 4.61 5.37 -0.55 5.04 2.01 -1.26 -3.23 115.64 127.62 2poa s THR 41 Ca 0.41 -3.07 -0.18 0.00 0.31 0.00 0.00 61.69 59.16 2poa s THR 41 Cb -0.03 -4.29 0.10 0.00 0.01 0.00 0.00 72.50 68.29 2poa s THR 41 CO -0.05 -1.08 0.59 0.12 -0.69 0.00 0.00 174.62 173.51 2poa s PHE 42 N -0.60 3.12 -0.01 4.92 2.19 -0.10 -0.77 117.98 126.73 2poa s PHE 42 Ca 0.24 -1.01 0.00 0.00 0.33 0.00 0.00 56.93 56.49 2poa s PHE 42 Cb -0.11 -3.78 0.01 0.00 -1.31 0.00 0.00 43.02 37.84 2poa s PHE 42 CO -0.08 -1.11 -0.00 0.95 1.83 0.00 0.00 175.22 176.80 2poa s THR 43 N 2.19 0.10 -0.51 0.12 -4.23 -0.03 -0.77 115.64 112.50 2poa s THR 43 Ca 0.08 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.32 2poa s THR 43 Cb -0.25 -0.13 0.02 0.00 1.34 0.00 0.00 72.50 73.47 2poa s THR 43 CO 0.06 0.06 1.31 -0.32 -0.54 0.00 0.00 174.62 175.19 2poa s MET 44 N 0.33 3.50 -0.81 3.99 1.75 -1.26 -0.11 119.30 126.69 2poa s MET 44 Ca -0.03 0.54 -0.16 0.00 -1.25 0.00 0.00 55.69 54.80 2poa s MET 44 Cb -0.05 -4.03 0.18 0.00 2.84 0.00 0.00 34.83 33.77 2poa s MET 44 CO -0.01 -1.69 0.83 0.34 -0.65 0.00 0.00 175.02 173.84 2poa s ASP 45 N 3.59 6.64 0.00 1.11 2.15 -0.06 -4.84 116.67 125.27 2poa s ASP 45 Ca 0.51 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 51.12 2poa s ASP 45 Cb -0.10 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2poa s ASP 45 CO 0.28 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 2poa n GLY 46 N 4.52 2.19 0.41 2.66 0.00 -1.26 -3.48 105.19 110.22 2poa n GLY 46 Ca 0.12 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 4.14 1.49 -4.48 1.61 2.03 -1.26 -5.13 116.55 114.95 2poa n ASP 47 Ca 0.00 0.25 -0.24 0.00 0.52 0.00 0.00 54.79 55.32 2poa n ASP 47 Cb 0.00 -0.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.72 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 -2.47 1.69 0.35 -0.67 -2.85 -1.23 -5.02 119.74 109.55 2poa s LYS 48 Ca -0.23 -1.81 -0.26 0.00 -1.00 0.00 0.00 55.97 52.66 2poa s LYS 48 Cb 0.07 -1.64 -0.09 0.00 -2.06 0.00 0.00 37.83 34.11 2poa s LYS 48 CO 0.31 0.23 1.04 -1.64 0.10 0.00 0.00 175.35 175.39 2poa s MET 49 N -3.58 4.37 -0.04 1.78 -1.94 -0.99 -0.88 119.30 118.02 2poa s MET 49 Ca 0.30 1.56 -0.01 0.00 -1.71 0.00 0.00 55.69 55.82 2poa s MET 49 Cb -0.01 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 34.09 2poa s MET 49 CO 0.15 0.03 0.06 0.99 -0.01 0.00 0.00 175.02 176.24 2poa s THR 50 N -1.51 -0.10 -0.56 2.05 2.01 0.84 -1.96 115.64 116.41 2poa s THR 50 Ca 0.53 0.33 -0.26 0.00 0.31 0.00 0.00 61.69 62.60 2poa s THR 50 Cb -0.24 -0.14 0.04 0.00 0.01 0.00 0.00 72.50 72.16 2poa s THR 50 CO 0.30 0.14 1.06 -0.04 -0.69 0.00 0.00 174.62 175.39 2poa s MET 51 N 1.73 3.43 -1.27 4.92 -1.94 -0.40 -0.85 119.30 124.93 2poa s MET 51 Ca -0.01 0.01 -0.07 0.00 -1.71 0.00 0.00 55.69 53.91 2poa s MET 51 Cb -0.12 -4.03 0.17 0.00 2.01 0.00 0.00 34.83 32.86 2poa s MET 51 CO -0.03 -1.56 2.07 1.28 -0.01 0.00 0.00 175.02 176.77 2poa n LEU 52 N 7.89 7.32 -4.68 -0.03 4.77 0.05 -1.42 117.00 130.90 2poa n LEU 52 Ca 0.05 -4.85 -0.42 0.00 -0.03 0.00 0.00 56.01 50.76 2poa n LEU 52 Cb 0.48 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.16 2poa n LEU 52 CO 0.67 1.75 1.06 -0.89 -1.33 0.00 0.00 177.39 178.66 2poa s THR 53 N -0.84 4.02 -0.53 -5.08 2.01 -0.87 -4.29 115.64 110.06 2poa s THR 53 Ca 0.45 1.34 0.04 0.00 0.31 0.00 0.00 61.69 63.84 2poa s THR 53 Cb 0.14 -3.86 0.17 0.00 0.01 0.00 0.00 72.50 68.95 2poa s THR 53 CO -0.04 -0.03 0.40 -0.70 -0.69 0.00 0.00 174.62 173.56 2poa s GLU 54 N 2.58 1.54 0.41 4.92 -6.30 -1.18 -0.03 118.70 120.65 2poa s GLU 54 Ca 0.60 -2.60 0.04 0.00 -2.50 0.00 0.00 54.97 50.50 2poa s GLU 54 Cb -0.27 -2.25 -0.04 0.00 0.00 0.00 0.00 34.13 31.57 2poa s GLU 54 CO 0.23 -1.34 0.06 -1.12 0.02 0.00 0.00 175.26 173.11 2poa s SER 55 N -0.54 3.18 0.16 -1.70 0.01 -0.83 -4.19 113.70 109.80 2poa s SER 55 Ca 0.29 -1.55 -0.14 0.00 1.31 0.00 0.00 55.95 55.86 2poa s SER 55 Cb -0.01 0.24 0.05 0.00 0.21 0.00 0.00 66.02 66.51 2poa s SER 55 CO -0.18 -0.76 1.77 0.74 0.41 0.00 0.00 173.24 175.22 2poa h THR 56 N 1.75 1.17 0.01 1.44 2.02 -1.88 -3.18 112.91 114.25 2poa h THR 56 Ca -0.40 -0.44 -0.30 0.00 0.77 0.00 0.00 66.41 66.03 2poa h THR 56 Cb 1.27 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 2poa h THR 56 CO 0.68 0.19 -1.67 0.49 0.37 0.00 0.00 175.52 175.58 2poa n PHE 57 N -4.64 0.74 -3.33 3.16 3.72 -1.26 -4.72 117.46 111.12 2poa n PHE 57 Ca 0.02 0.31 -0.45 0.00 -0.05 0.00 0.00 57.45 57.28 2poa n PHE 57 Cb 0.08 -1.08 -0.00 0.00 -0.94 0.00 0.00 39.48 37.54 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 -2.41 4.13 -1.00 -1.08 1.02 -1.26 -4.70 119.74 114.44 2poa s LYS 58 Ca -0.31 -3.11 -0.12 0.00 0.02 0.00 0.00 55.97 52.45 2poa s LYS 58 Cb 0.08 -4.56 0.24 0.00 -0.52 0.00 0.00 37.83 33.08 2poa s LYS 58 CO 0.57 -1.26 0.99 1.21 -0.92 0.00 0.00 175.35 175.94 2poa s ASN 59 N 1.46 7.07 -0.22 2.83 3.84 -1.20 -1.96 114.94 126.75 2poa s ASN 59 Ca 0.29 -3.15 -0.24 0.00 0.21 0.00 0.00 52.86 49.97 2poa s ASN 59 Cb -0.10 -2.23 0.06 0.00 -0.55 0.00 0.00 41.25 38.44 2poa s ASN 59 CO -0.08 -0.45 0.66 -1.48 -2.79 0.00 0.00 177.10 172.96 2poa s LEU 60 N -0.42 -0.52 -0.11 3.21 0.05 0.96 -4.95 118.68 116.90 2poa s LEU 60 Ca 0.26 1.24 -0.09 0.00 0.05 0.00 0.00 54.13 55.60 2poa s LEU 60 Cb -0.09 2.29 -0.04 0.00 -2.05 0.00 0.00 46.19 46.29 2poa s LEU 60 CO -0.08 -0.28 0.18 -0.94 -0.55 0.00 0.00 176.35 174.69 2poa s SER 61 N 0.15 6.43 -0.06 1.48 1.04 -1.26 -2.05 113.70 119.43 2poa s SER 61 Ca -0.01 0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.94 2poa s SER 61 Cb -0.04 -2.10 0.02 0.00 0.10 0.00 0.00 66.02 64.00 2poa s SER 61 CO 0.02 0.36 -0.06 0.68 0.98 0.00 0.00 173.24 175.22 2poa s VAL 62 N -0.81 0.73 0.03 5.02 -7.23 -0.51 -5.00 120.40 112.62 2poa s VAL 62 Ca 0.16 -0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.18 2poa s VAL 62 Cb -0.13 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 2poa s VAL 62 CO 0.05 0.28 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.10 2poa s THR 63 N 1.07 3.18 0.09 5.32 2.01 -1.26 -1.28 115.64 124.77 2poa s THR 63 Ca -0.08 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.64 2poa s THR 63 Cb -0.14 -2.37 0.09 0.00 0.01 0.00 0.00 72.50 70.09 2poa s THR 63 CO -0.01 0.35 1.09 0.72 -0.69 0.00 0.00 174.62 176.09 2poa s PHE 64 N -0.97 -0.07 0.14 4.92 -0.12 -0.83 -4.97 117.98 116.08 2poa s PHE 64 Ca 0.16 -0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 2poa s PHE 64 Cb -0.11 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2poa s PHE 64 CO 0.07 -0.63 0.05 -1.59 -0.05 0.00 0.00 175.22 173.07 2poa s LYS 65 N -2.84 0.95 -1.00 1.99 -2.85 -1.26 -2.36 119.74 112.37 2poa s LYS 65 Ca 0.14 -1.45 -0.24 0.00 -1.00 0.00 0.00 55.97 53.42 2poa s LYS 65 Cb 0.01 0.18 -0.07 0.00 -2.06 0.00 0.00 37.83 35.89 2poa s LYS 65 CO 0.00 -0.25 1.96 -0.59 0.10 0.00 0.00 175.35 176.58 2poa s PHE 66 N -4.01 1.83 0.00 1.78 -0.12 -1.26 -1.22 117.98 114.98 2poa s PHE 66 Ca 0.24 0.65 0.00 0.00 -0.05 0.00 0.00 56.93 57.77 2poa s PHE 66 Cb 0.07 -4.00 0.00 0.00 -0.63 0.00 0.00 43.02 38.47 2poa s PHE 66 CO 0.02 -1.52 0.00 0.41 -0.05 0.00 0.00 175.22 174.08 2poa n GLY 67 N 6.46 2.05 3.76 1.99 0.00 -0.68 -4.89 105.19 113.87 2poa n GLY 67 Ca 0.42 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 4.77 -1.09 1.61 0.41 -0.36 -4.82 118.70 119.22 2poa s GLU 68 Ca 0.00 1.42 -0.16 0.00 -0.41 0.00 0.00 54.97 55.83 2poa s GLU 68 Cb 0.00 -3.15 0.16 0.00 -1.78 0.00 0.00 34.13 29.36 2poa s GLU 68 CO 0.00 0.46 1.30 -1.83 -0.49 0.00 0.00 175.26 174.70 2poa s GLU 69 N -1.42 3.90 0.32 1.61 -1.05 -1.26 -2.16 118.70 118.64 2poa s GLU 69 Ca 0.43 -2.28 -0.28 0.00 -0.15 0.00 0.00 54.97 52.69 2poa s GLU 69 Cb -0.24 -4.98 -0.09 0.00 -0.44 0.00 0.00 34.13 28.37 2poa s GLU 69 CO 0.29 -1.75 1.06 -0.59 0.95 0.00 0.00 175.26 175.22 2poa s PHE 70 N 1.91 3.53 0.03 4.83 -0.71 -1.10 -4.68 117.98 121.79 2poa s PHE 70 Ca 0.38 1.71 -0.30 0.00 -1.04 0.00 0.00 56.93 57.68 2poa s PHE 70 Cb -0.04 -3.18 -0.04 0.00 -1.21 0.00 0.00 43.02 38.55 2poa s PHE 70 CO -0.04 -0.42 1.00 -0.51 -1.34 0.00 0.00 175.22 173.91 2poa s ASP 71 N -1.17 7.37 -0.38 1.98 1.11 -1.26 -1.71 116.67 122.61 2poa s ASP 71 Ca 0.49 1.73 -0.02 0.00 0.18 0.00 0.00 52.55 54.92 2poa s ASP 71 Cb -0.27 -2.58 0.09 0.00 1.07 0.00 0.00 42.92 41.24 2poa s ASP 71 CO 0.35 -0.24 0.14 -0.70 1.18 0.00 0.00 175.17 175.90 2poa s GLU 72 N 0.79 2.04 -0.25 8.23 -6.30 0.93 -4.93 118.70 119.21 2poa s GLU 72 Ca 0.52 -1.69 -0.24 0.00 -2.50 0.00 0.00 54.97 51.05 2poa s GLU 72 Cb -0.22 -3.45 -0.01 0.00 0.00 0.00 0.00 34.13 30.45 2poa s GLU 72 CO 0.29 -0.95 0.81 0.21 0.02 0.00 0.00 175.26 175.64 2poa s LYS 73 N 1.14 4.15 0.19 4.30 2.36 -1.26 -1.36 119.74 129.26 2poa s LYS 73 Ca 0.05 0.87 -0.00 0.00 -2.55 0.00 0.00 55.97 54.34 2poa s LYS 73 Cb -0.22 -3.66 -0.04 0.00 -1.05 0.00 0.00 37.83 32.87 2poa s LYS 73 CO -0.04 -0.54 0.37 0.95 1.55 0.00 0.00 175.35 177.65 2poa s THR 74 N 2.84 5.22 0.47 3.43 -4.23 -0.60 -4.95 115.64 117.84 2poa s THR 74 Ca 0.34 -0.39 0.21 0.00 -1.18 0.00 0.00 61.69 60.66 2poa s THR 74 Cb -0.15 -3.73 0.38 0.00 1.34 0.00 0.00 72.50 70.34 2poa s THR 74 CO 0.08 -0.15 1.94 0.77 -0.54 0.00 0.00 174.62 176.73 2poa h SER 75 N 2.08 0.21 0.06 3.99 4.64 -1.90 -1.72 113.55 120.91 2poa h SER 75 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2poa h SER 75 Cb 1.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2poa h SER 75 CO 0.68 0.11 0.00 -0.78 -0.87 0.00 0.00 176.83 175.97 2poa h ASP 76 N 0.23 0.00 -0.20 4.97 3.58 -1.96 -3.48 116.42 119.56 2poa h ASP 76 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2poa h ASP 76 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2poa h ASP 76 CO -0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 2poa n GLY 77 N -1.03 0.60 3.39 -0.78 0.00 -0.65 -4.88 105.19 101.85 2poa n GLY 77 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 0.22 0.51 -0.42 1.61 0.52 -1.25 -4.96 118.95 115.18 2poa s ARG 78 Ca 0.00 1.18 -0.29 0.00 -0.52 0.00 0.00 55.73 56.11 2poa s ARG 78 Cb 0.00 0.58 0.02 0.00 0.52 0.00 0.00 34.95 36.06 2poa s ARG 78 CO 0.00 -0.35 1.31 0.54 0.02 0.00 0.00 175.30 176.81 2poa s ASN 79 N 2.80 6.48 -0.10 0.23 4.22 -1.26 -1.55 114.94 125.76 2poa s ASN 79 Ca 0.03 0.76 0.01 0.00 -2.14 0.00 0.00 52.86 51.52 2poa s ASN 79 Cb -0.13 -2.54 -0.02 0.00 1.28 0.00 0.00 41.25 39.84 2poa s ASN 79 CO -0.18 -1.33 -0.13 0.68 -2.04 0.00 0.00 177.10 174.10 2poa s VAL 80 N 4.97 3.11 0.65 3.54 -7.23 -0.46 -4.82 120.40 120.16 2poa s VAL 80 Ca 0.56 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 60.00 2poa s VAL 80 Cb -0.12 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 34.58 2poa s VAL 80 CO 0.31 0.55 0.97 -0.54 -0.31 0.00 0.00 175.10 176.07 2poa s LYS 81 N -0.05 2.58 -0.21 4.82 1.02 -0.59 -0.05 119.74 127.26 2poa s LYS 81 Ca -0.03 -0.09 -0.07 0.00 0.02 0.00 0.00 55.97 55.80 2poa s LYS 81 Cb -0.14 -2.21 0.10 0.00 -0.52 0.00 0.00 37.83 35.06 2poa s LYS 81 CO 0.04 -0.98 0.44 -1.12 -0.92 0.00 0.00 175.35 172.82 2poa s SER 82 N -4.41 -0.35 -0.31 2.83 0.01 -0.70 -0.40 113.70 110.37 2poa s SER 82 Ca 0.57 1.05 -0.29 0.00 1.31 0.00 0.00 55.95 58.59 2poa s SER 82 Cb -0.11 1.45 0.01 0.00 0.21 0.00 0.00 66.02 67.58 2poa s SER 82 CO 0.45 -0.23 1.26 0.54 0.41 0.00 0.00 173.24 175.67 2poa s VAL 83 N 2.64 4.20 -0.27 3.43 0.11 -0.42 -2.73 120.40 127.37 2poa s VAL 83 Ca -0.02 1.35 -0.22 0.00 -2.93 0.00 0.00 61.98 60.16 2poa s VAL 83 Cb -0.12 -4.22 -0.01 0.00 -1.53 0.00 0.00 36.38 30.50 2poa s VAL 83 CO -0.13 -0.51 0.72 -0.69 -3.33 0.00 0.00 175.10 171.16 2poa s VAL 84 N 4.28 4.89 -0.12 2.04 1.01 -0.92 -1.56 120.40 130.03 2poa s VAL 84 Ca 0.54 1.24 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 2poa s VAL 84 Cb -0.15 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2poa s VAL 84 CO 0.22 -0.08 -0.09 -0.70 0.00 0.00 0.00 175.10 174.45 2poa s GLU 85 N 2.72 3.26 -0.34 2.72 2.56 -0.74 -1.69 118.70 127.18 2poa s GLU 85 Ca 0.30 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.67 2poa s GLU 85 Cb -0.15 -2.69 0.09 0.00 2.00 0.00 0.00 34.13 33.38 2poa s GLU 85 CO 0.09 0.36 0.07 0.21 -0.56 0.00 0.00 175.26 175.43 2poa s LYS 86 N 0.00 1.96 -1.16 4.30 2.20 -1.26 -0.21 119.74 125.57 2poa s LYS 86 Ca -0.02 -1.65 -0.10 0.00 -0.36 0.00 0.00 55.97 53.84 2poa s LYS 86 Cb -0.14 -3.28 0.24 0.00 -1.51 0.00 0.00 37.83 33.14 2poa s LYS 86 CO 0.03 -0.86 1.29 -1.71 -0.36 0.00 0.00 175.35 173.75 2poa n ASN 87 N 4.46 5.46 0.00 1.43 2.85 0.38 -4.92 115.26 124.93 2poa n ASN 87 Ca -0.04 -3.04 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 2poa n ASN 87 Cb 0.42 -1.45 0.00 0.00 1.24 0.00 0.00 39.78 39.99 2poa n ASN 87 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2poa n SER 88 N 3.72 0.00 -0.81 1.20 2.88 -1.26 -4.10 113.62 115.24 2poa n SER 88 Ca 0.30 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.90 2poa n SER 88 Cb 0.40 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.06 2poa n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2poa n GLU 89 N 2.89 2.95 -1.37 -1.46 4.71 -1.26 -4.18 120.64 122.91 2poa n GLU 89 Ca 0.00 -2.32 0.01 0.00 -0.01 0.00 0.00 57.16 54.83 2poa n GLU 89 Cb 0.00 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 28.96 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2poa n SER 90 N 0.42 0.38 -3.06 1.62 3.41 -1.26 -4.63 113.62 110.49 2poa n SER 90 Ca 0.16 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.65 2poa n SER 90 Cb 0.57 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.05 0.94 0.43 4.33 2.36 -1.26 -2.75 119.74 123.75 2poa s LYS 91 Ca 0.23 -1.21 -0.02 0.00 -2.55 0.00 0.00 55.97 52.41 2poa s LYS 91 Cb 0.27 -0.48 -0.03 0.00 -1.05 0.00 0.00 37.83 36.54 2poa s LYS 91 CO -0.12 -1.31 0.69 -1.17 1.55 0.00 0.00 175.35 174.99 2poa s LEU 92 N 0.85 3.75 -0.39 5.43 0.20 -0.27 -0.47 118.68 127.79 2poa s LEU 92 Ca 0.27 0.66 0.06 0.00 0.69 0.00 0.00 54.13 55.81 2poa s LEU 92 Cb -0.02 -3.57 0.17 0.00 -0.43 0.00 0.00 46.19 42.34 2poa s LEU 92 CO -0.09 -0.51 0.50 -0.89 -0.29 0.00 0.00 176.35 175.07 2poa s THR 93 N -2.58 -0.64 -1.21 3.68 2.01 0.71 0.03 115.64 117.64 2poa s THR 93 Ca 0.45 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 2poa s THR 93 Cb -0.10 -0.35 0.19 0.00 0.01 0.00 0.00 72.50 72.25 2poa s THR 93 CO 0.41 -0.31 1.54 1.67 -0.69 0.00 0.00 174.62 177.24 2poa n GLN 94 N 4.27 3.56 -2.38 4.92 7.27 -1.24 -1.80 117.38 131.97 2poa n GLN 94 Ca 0.12 -3.88 -0.43 0.00 0.07 0.00 0.00 57.00 52.88 2poa n GLN 94 Cb 0.51 -2.91 -0.02 0.00 2.41 0.00 0.00 30.24 30.23 2poa n GLN 94 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2poa s THR 95 N 0.53 4.13 0.11 1.69 2.01 -0.60 -4.67 115.64 118.83 2poa s THR 95 Ca 0.40 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.40 2poa s THR 95 Cb 0.01 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 2poa s THR 95 CO 0.00 -0.32 1.15 -1.10 -0.69 0.00 0.00 174.62 173.66 2poa s GLN 96 N 3.99 4.50 -0.85 4.92 -0.21 -1.26 -1.30 119.66 129.44 2poa s GLN 96 Ca 0.58 1.74 -0.02 0.00 0.02 0.00 0.00 55.36 57.68 2poa s GLN 96 Cb -0.20 -3.32 0.21 0.00 1.00 0.00 0.00 33.01 30.70 2poa s GLN 96 CO 0.21 -0.12 0.72 0.08 -2.12 0.00 0.00 175.29 174.06 2poa s VAL 97 N 0.52 4.23 0.70 1.09 1.01 0.46 -1.98 120.40 126.43 2poa s VAL 97 Ca 0.55 -3.76 -0.06 0.00 0.00 0.00 0.00 61.98 58.71 2poa s VAL 97 Cb -0.29 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.52 2poa s VAL 97 CO 0.32 -1.06 1.01 -1.81 0.00 0.00 0.00 175.10 173.56 2poa s ASP 98 N -0.07 4.73 0.00 3.32 1.01 -1.26 -1.55 116.67 122.85 2poa s ASP 98 Ca 0.26 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.85 2poa s ASP 98 Cb -0.09 -0.95 0.02 0.00 1.01 0.00 0.00 42.92 42.91 2poa s ASP 98 CO -0.11 -1.64 0.87 -0.81 0.21 0.00 0.00 175.17 173.69 2poa n PRO 99 N -2.90 0.00 0.01 8.23 -0.04 -1.26 -1.12 135.00 137.92 2poa n PRO 99 Ca 0.09 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 2poa n PRO 99 Cb 0.60 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 2poa n PRO 99 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2poa n LYS 100 N -1.36 0.65 -1.46 0.54 4.81 -1.26 -5.12 118.16 114.96 2poa n LYS 100 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2poa n LYS 100 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.49 2poa n LYS 100 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2poa n ASN 101 N -2.33 -5.71 -4.93 3.14 5.15 -0.27 -5.08 115.26 105.22 2poa n ASN 101 Ca -0.04 0.81 -0.28 0.00 -0.60 0.00 0.00 54.58 54.47 2poa n ASN 101 Cb 0.58 -3.13 -0.03 0.00 -0.53 0.00 0.00 39.78 36.67 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2poa s THR 102 N -0.28 5.31 0.91 -0.44 2.01 -0.84 -4.86 115.64 117.44 2poa s THR 102 Ca 0.00 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 2poa s THR 102 Cb 0.00 -3.71 0.14 0.00 0.01 0.00 0.00 72.50 68.94 2poa s THR 102 CO 0.00 -0.05 1.14 -0.89 -0.69 0.00 0.00 174.62 174.13 2poa s THR 103 N -1.71 2.00 -0.48 -0.82 2.01 -1.25 -4.55 115.64 110.84 2poa s THR 103 Ca 0.36 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 2poa s THR 103 Cb -0.12 -2.75 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 2poa s THR 103 CO 0.28 -0.00 2.41 1.33 -0.69 0.00 0.00 174.62 177.95 2poa n VAL 104 N -3.76 -0.04 -2.86 3.82 0.24 -1.26 -4.40 118.33 110.06 2poa n VAL 104 Ca 0.07 -0.75 -0.44 0.00 -2.04 0.00 0.00 64.34 61.18 2poa n VAL 104 Cb 0.59 -2.73 0.00 0.00 -1.47 0.00 0.00 33.84 30.24 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 7.97 4.43 -1.81 1.34 -6.64 -1.26 -4.58 119.36 118.81 2poa n ILE 105 Ca 0.37 -4.86 -0.40 0.00 -1.77 0.00 0.00 62.75 56.09 2poa n ILE 105 Cb 0.52 -2.42 0.01 0.00 -1.44 0.00 0.00 39.64 36.31 2poa n ILE 105 CO 0.00 0.00 0.00 0.68 -1.77 0.00 0.00 176.55 175.46 2poa s VAL 106 N 0.40 2.09 -0.42 7.28 -7.23 -1.24 -3.73 120.40 117.55 2poa s VAL 106 Ca 0.39 0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.66 2poa s VAL 106 Cb -0.00 -3.05 0.13 0.00 0.56 0.00 0.00 36.38 34.01 2poa s VAL 106 CO -0.00 0.01 0.20 -0.13 -0.31 0.00 0.00 175.10 174.87 2poa s ARG 107 N -2.38 1.29 0.49 4.82 0.52 0.10 -1.99 118.95 121.80 2poa s ARG 107 Ca 0.59 -1.91 0.07 0.00 -0.52 0.00 0.00 55.73 53.96 2poa s ARG 107 Cb -0.44 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 32.59 2poa s ARG 107 CO 0.57 -1.11 0.48 -1.21 0.02 0.00 0.00 175.30 174.05 2poa s GLU 108 N 0.53 2.42 -0.05 3.54 2.02 -0.35 -1.11 118.70 125.70 2poa s GLU 108 Ca 0.16 -1.69 0.01 0.00 0.02 0.00 0.00 54.97 53.47 2poa s GLU 108 Cb -0.23 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.65 2poa s GLU 108 CO -0.04 -0.46 -0.05 0.54 0.02 0.00 0.00 175.26 175.27 2poa s VAL 109 N -2.60 0.59 -0.60 2.63 0.11 -1.11 -0.78 120.40 118.64 2poa s VAL 109 Ca 0.47 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 2poa s VAL 109 Cb -0.04 -0.61 0.40 0.00 -1.53 0.00 0.00 36.38 34.60 2poa s VAL 109 CO 0.28 0.24 1.52 0.47 -3.33 0.00 0.00 175.10 174.28 2poa n ASP 110 N 4.12 5.97 -1.36 3.54 9.92 -0.22 -4.87 116.55 133.66 2poa n ASP 110 Ca -0.23 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.26 2poa n ASP 110 Cb 0.51 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 -0.54 -0.25 2.56 0.44 0.00 -1.26 -4.38 105.19 101.77 2poa n GLY 111 Ca 0.46 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.84 -4.70 -4.00 1.61 8.00 -1.26 -4.94 116.55 110.42 2poa n ASP 112 Ca 0.00 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 2poa n ASP 112 Cb 0.38 -3.51 -0.13 0.00 -0.02 0.00 0.00 41.12 37.84 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 -1.63 2.79 -0.64 -3.53 -1.32 -1.26 -2.40 115.64 107.65 2poa s THR 113 Ca 0.00 -2.98 -0.26 0.00 -1.21 0.00 0.00 61.69 57.24 2poa s THR 113 Cb 0.00 -2.93 -0.11 0.00 -1.51 0.00 0.00 72.50 67.95 2poa s THR 113 CO 0.00 -0.77 2.42 0.23 -2.21 0.00 0.00 174.62 174.29 2poa n MET 114 N 3.50 0.80 -2.91 7.08 2.81 0.75 -1.05 117.12 128.08 2poa n MET 114 Ca 0.05 -0.37 -0.43 0.00 -1.81 0.00 0.00 57.70 55.13 2poa n MET 114 Cb 0.36 -3.48 -0.04 0.00 -0.71 0.00 0.00 33.22 29.34 2poa n MET 114 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2poa s LYS 115 N 8.56 3.14 -0.62 0.03 2.36 0.04 -1.48 119.74 131.77 2poa s LYS 115 Ca 0.97 -1.01 -0.03 0.00 -2.55 0.00 0.00 55.97 53.35 2poa s LYS 115 Cb -0.19 -4.29 0.16 0.00 -1.05 0.00 0.00 37.83 32.46 2poa s LYS 115 CO 0.19 -1.76 0.43 0.95 1.55 0.00 0.00 175.35 176.72 2poa s THR 116 N 3.68 3.74 -0.75 3.43 -4.23 0.84 -1.21 115.64 121.14 2poa s THR 116 Ca 0.21 -2.88 -0.26 0.00 -1.18 0.00 0.00 61.69 57.58 2poa s THR 116 Cb -0.17 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.23 2poa s THR 116 CO 0.08 -0.87 1.53 -0.89 -0.54 0.00 0.00 174.62 173.93 2poa s THR 117 N 0.03 3.61 -0.85 3.99 2.01 -0.84 -2.60 115.64 120.99 2poa s THR 117 Ca 0.16 0.14 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 2poa s THR 117 Cb -0.20 -4.56 0.13 0.00 0.01 0.00 0.00 72.50 67.87 2poa s THR 117 CO -0.04 -1.50 1.03 0.54 -0.69 0.00 0.00 174.62 173.96 2poa s VAL 118 N 7.02 4.75 -0.12 3.82 0.11 -0.32 -3.63 120.40 132.03 2poa s VAL 118 Ca 0.49 -1.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.06 2poa s VAL 118 Cb -0.08 -4.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.02 2poa s VAL 118 CO 0.13 -1.42 0.12 0.28 -3.33 0.00 0.00 175.10 170.87 2poa s THR 119 N 2.67 5.32 -0.45 5.04 -1.32 -1.26 -1.20 115.64 124.44 2poa s THR 119 Ca 0.28 0.14 0.05 0.00 -1.21 0.00 0.00 61.69 60.95 2poa s THR 119 Cb -0.09 -3.32 0.18 0.00 -1.51 0.00 0.00 72.50 67.77 2poa s THR 119 CO -0.05 0.60 0.50 0.52 -2.21 0.00 0.00 174.62 173.97 2poa n VAL 120 N 2.18 -0.75 0.00 5.08 0.31 -1.26 -3.85 118.33 120.03 2poa n VAL 120 Ca -0.19 -2.60 0.00 0.00 -0.01 0.00 0.00 64.34 61.54 2poa n VAL 120 Cb 0.54 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 2.75 0.75 2.72 2.92 0.00 -1.26 -4.39 105.19 108.66 2poa n GLY 121 Ca 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 1.74 -2.32 0.03 1.61 5.75 -1.26 -5.02 116.55 117.08 2poa n ASP 122 Ca 0.00 -3.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.13 2poa n ASP 122 Cb 0.00 1.86 0.00 0.00 -1.03 0.00 0.00 41.12 41.95 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2poa n VAL 123 N 0.50 0.01 -3.33 2.12 0.31 -1.26 -5.03 118.33 111.64 2poa n VAL 123 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.23 2poa n VAL 123 Cb 0.69 -0.15 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 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 -2.70 -7.06 -3.03 2.52 -1.04 -1.23 -4.96 114.28 96.78 2poa n THR 124 Ca 0.00 0.12 -0.44 0.00 -2.04 0.00 0.00 64.05 61.69 2poa n THR 124 Cb 0.00 -5.13 -0.04 0.00 -1.82 0.00 0.00 70.33 63.34 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 -2.62 3.33 -1.08 2.41 0.00 -0.34 -4.75 121.76 118.72 2poa s ALA 125 Ca 0.13 -2.16 -0.23 0.00 0.00 0.00 0.00 51.96 49.70 2poa s ALA 125 Cb -0.02 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 2poa s ALA 125 CO 0.82 -2.50 1.91 -1.50 0.00 0.00 0.00 175.76 174.49 2poa s ILE 126 N 3.05 3.56 -0.35 0.00 1.10 -1.26 -1.17 121.20 126.12 2poa s ILE 126 Ca 0.16 -0.76 -0.22 0.00 -0.51 0.00 0.00 60.65 59.31 2poa s ILE 126 Cb -0.21 -4.41 0.01 0.00 0.15 0.00 0.00 42.46 37.99 2poa s ILE 126 CO 0.06 -1.07 0.72 -0.13 -2.11 0.00 0.00 174.94 172.42 2poa s ARG 127 N 6.49 3.75 -0.11 3.50 0.52 -1.07 -4.18 118.95 127.85 2poa s ARG 127 Ca 0.67 0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 55.99 2poa s ARG 127 Cb -0.03 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.60 2poa s ARG 127 CO 0.07 -0.78 0.32 -0.80 0.02 0.00 0.00 175.30 174.13 2poa s ASN 128 N 1.79 6.55 0.00 0.23 0.01 -0.78 -0.11 114.94 122.63 2poa s ASN 128 Ca 0.28 0.65 0.02 0.00 -0.71 0.00 0.00 52.86 53.11 2poa s ASN 128 Cb -0.14 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 2poa s ASN 128 CO 0.15 0.19 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.54 2poa s TYR 129 N -0.12 0.71 -0.15 2.20 1.51 -0.55 -0.16 117.35 120.79 2poa s TYR 129 Ca 0.19 -0.18 -0.24 0.00 -1.01 0.00 0.00 57.07 55.84 2poa s TYR 129 Cb -0.14 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2poa s TYR 129 CO 0.07 -0.01 0.75 0.15 -1.11 0.00 0.00 175.55 175.39 2poa s LYS 130 N -0.39 4.31 -0.16 -0.62 -0.14 0.98 -0.18 119.74 123.55 2poa s LYS 130 Ca 0.01 0.88 -0.29 0.00 -1.36 0.00 0.00 55.97 55.21 2poa s LYS 130 Cb -0.04 -3.54 -0.02 0.00 -1.68 0.00 0.00 37.83 32.55 2poa s LYS 130 CO -0.00 -0.20 1.32 0.50 -0.76 0.00 0.00 175.35 176.21 2poa s ARG 131 N 1.72 4.20 -0.15 1.68 3.52 -1.01 -1.98 118.95 126.93 2poa s ARG 131 Ca 0.36 1.70 0.02 0.00 -0.13 0.00 0.00 55.73 57.68 2poa s ARG 131 Cb -0.17 -3.80 0.01 0.00 -1.56 0.00 0.00 34.95 29.43 2poa s ARG 131 CO 0.14 -0.76 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.14 2poa s LEU 132 N 3.65 2.11 0.00 -0.88 1.43 -0.05 -5.03 118.68 119.91 2poa s LEU 132 Ca 0.57 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2poa s LEU 132 Cb -0.23 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2poa s LEU 132 CO 0.17 0.07 0.00 -1.54 0.23 0.00 0.00 176.35 175.28