#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 0.00 -1.61 6.12 0.02 -2.01 -1.83 113.55 114.24 2poa h SER 2 Ca 0.00 0.00 0.49 0.00 -0.84 0.00 0.00 61.79 61.44 2poa h SER 2 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 2poa h SER 2 CO 0.00 0.00 1.12 0.28 -1.14 0.00 0.00 176.83 177.09 2poa h SER 3 N 0.00 0.09 -0.05 3.07 0.02 -2.02 -3.21 113.55 111.45 2poa h SER 3 Ca 0.02 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2poa h SER 3 Cb 0.24 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2poa h SER 3 CO -0.00 -0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.11 2poa n PHE 4 N -4.26 0.04 -2.56 3.45 3.72 -0.69 -5.03 117.46 112.13 2poa n PHE 4 Ca 0.39 -0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 57.34 2poa n PHE 4 Cb 1.68 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 40.20 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2poa s LEU 5 N -1.51 3.93 0.00 4.37 1.43 -1.22 -4.70 118.68 120.99 2poa s LEU 5 Ca 0.22 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2poa s LEU 5 Cb 0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2poa s LEU 5 CO 0.23 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.49 2poa n GLY 6 N 3.98 1.44 3.73 -3.19 0.00 0.03 -4.69 105.19 106.49 2poa n GLY 6 Ca 0.13 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.71 4.56 -0.28 1.61 0.00 -0.15 -0.87 119.74 122.90 2poa s LYS 7 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 55.97 57.13 2poa s LYS 7 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 37.83 34.42 2poa s LYS 7 CO 0.00 0.15 0.08 -1.58 0.00 0.00 0.00 175.35 173.99 2poa s TRP 8 N 0.36 3.12 -0.15 1.78 0.52 -1.26 -0.31 118.94 123.00 2poa s TRP 8 Ca 0.44 -0.81 -0.05 0.00 0.02 0.00 0.00 56.10 55.70 2poa s TRP 8 Cb -0.21 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 2poa s TRP 8 CO 0.25 -0.52 0.01 0.15 0.02 0.00 0.00 176.95 176.87 2poa s LYS 9 N 1.53 3.64 -0.04 4.98 1.02 -0.97 -4.11 119.74 125.80 2poa s LYS 9 Ca 0.04 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 2poa s LYS 9 Cb -0.16 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.08 2poa s LYS 9 CO 0.03 0.36 1.61 -1.17 -0.92 0.00 0.00 175.35 175.26 2poa s LEU 10 N 0.07 4.32 0.02 3.17 2.96 -1.26 -1.17 118.68 126.78 2poa s LEU 10 Ca 0.03 2.23 -0.14 0.00 -0.22 0.00 0.00 54.13 56.02 2poa s LEU 10 Cb -0.13 -3.54 -0.35 0.00 0.50 0.00 0.00 46.19 42.68 2poa s LEU 10 CO 0.02 -0.89 0.94 -1.28 -1.32 0.00 0.00 176.35 173.82 2poa h SER 11 N 9.12 0.79 -4.99 3.68 0.87 -0.76 -3.47 113.55 118.78 2poa h SER 11 Ca -0.39 -0.89 -0.12 0.00 -1.23 0.00 0.00 61.79 59.16 2poa h SER 11 Cb 1.18 -0.26 -0.20 0.00 -0.44 0.00 0.00 62.40 62.68 2poa h SER 11 CO 0.95 1.71 -0.32 -1.83 -0.53 0.00 0.00 176.83 176.80 2poa s GLU 12 N -2.60 0.64 -0.37 2.24 4.04 -1.08 -5.03 118.70 116.54 2poa s GLU 12 Ca -0.10 -0.27 -0.08 0.00 0.04 0.00 0.00 54.97 54.56 2poa s GLU 12 Cb 0.04 0.28 0.04 0.00 0.02 0.00 0.00 34.13 34.52 2poa s GLU 12 CO 0.93 -0.17 0.17 0.45 -1.84 0.00 0.00 175.26 174.79 2poa s SER 13 N -1.41 5.52 -0.17 0.83 0.15 -1.26 -3.62 113.70 113.75 2poa s SER 13 Ca -0.13 -1.17 -0.21 0.00 0.70 0.00 0.00 55.95 55.14 2poa s SER 13 Cb -0.05 -1.94 -0.23 0.00 -1.71 0.00 0.00 66.02 62.09 2poa s SER 13 CO 0.03 -0.39 0.40 -0.74 1.20 0.00 0.00 173.24 173.74 2poa h HIS 14 N 8.33 0.12 -0.85 3.44 2.76 -1.92 -3.42 115.15 123.62 2poa h HIS 14 Ca -0.24 -0.09 -0.33 0.00 -2.20 0.00 0.00 60.37 57.51 2poa h HIS 14 Cb 1.09 -0.00 -0.39 0.00 1.55 0.00 0.00 27.41 29.65 2poa h HIS 14 CO 0.59 1.43 -1.16 -1.71 -1.30 0.00 0.00 177.93 175.78 2poa n ASN 15 N -4.30 1.37 -3.91 3.26 2.85 -1.26 -4.94 115.26 108.34 2poa n ASN 15 Ca -0.27 -2.55 -0.42 0.00 -0.11 0.00 0.00 54.58 51.23 2poa n ASN 15 Cb 0.71 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 41.26 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 -0.20 3.42 0.23 1.20 7.35 -1.26 -3.99 117.46 124.21 2poa n PHE 16 Ca 0.08 -2.90 0.00 0.00 -0.76 0.00 0.00 57.45 53.87 2poa n PHE 16 Cb 0.82 -2.22 0.00 0.00 0.35 0.00 0.00 39.48 38.42 2poa n PHE 16 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2poa n ASP 17 N 5.08 -3.94 0.24 -2.13 2.03 -1.26 -3.95 116.55 112.61 2poa n ASP 17 Ca 0.44 0.88 0.11 0.00 0.52 0.00 0.00 54.79 56.74 2poa n ASP 17 Cb 0.38 3.68 0.59 0.00 -0.72 0.00 0.00 41.12 45.06 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2poa h ALA 18 N 0.00 1.16 -0.72 -1.67 0.00 -1.98 -1.73 119.26 114.33 2poa h ALA 18 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2poa h ALA 18 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 2poa h ALA 18 CO 0.00 0.23 0.15 -0.24 0.00 0.00 0.00 179.25 179.39 2poa h VAL 19 N 0.00 0.51 0.24 0.00 3.04 -1.93 0.42 116.25 118.54 2poa h VAL 19 Ca -0.00 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 2poa h VAL 19 Cb 0.53 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 2poa h VAL 19 CO 0.02 0.05 -0.11 0.24 -1.01 0.00 0.00 177.57 176.75 2poa h MET 20 N 0.25 -0.31 -0.04 4.17 2.07 -1.83 -3.32 114.93 115.92 2poa h MET 20 Ca 0.40 0.02 0.01 0.00 -2.07 0.00 0.00 59.70 58.06 2poa h MET 20 Cb 0.67 0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 30.47 2poa h MET 20 CO -0.51 0.02 0.03 1.03 1.07 0.00 0.00 176.91 178.54 2poa h SER 21 N -0.96 0.00 -0.55 1.22 0.87 -1.28 0.45 113.55 113.30 2poa h SER 21 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2poa h SER 21 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2poa h SER 21 CO 0.05 0.00 0.25 0.50 -0.53 0.00 0.00 176.83 177.10 2poa h LYS 22 N 0.00 0.80 -0.36 2.24 3.64 -1.08 -3.06 116.57 118.75 2poa h LYS 22 Ca 0.02 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2poa h LYS 22 Cb 0.08 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2poa h LYS 22 CO -0.00 0.68 0.21 1.25 -2.27 0.00 0.00 179.45 179.31 2poa h LEU 23 N 0.74 0.44 0.00 5.20 5.85 -1.47 -3.49 115.31 122.59 2poa h LEU 23 Ca 0.19 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2poa h LEU 23 Cb 0.15 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2poa h LEU 23 CO -0.02 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 2poa n GLY 24 N -1.03 0.50 3.76 3.75 0.00 0.08 -4.96 105.19 107.30 2poa n GLY 24 Ca -0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 4.88 0.66 1.61 1.01 -1.22 -4.99 120.40 122.36 2poa s VAL 25 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2poa s VAL 25 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2poa s VAL 25 CO 0.00 0.60 1.22 -0.44 0.00 0.00 0.00 175.10 176.48 2poa s SER 26 N -0.83 4.66 -1.37 3.32 0.01 -1.26 -4.52 113.70 113.71 2poa s SER 26 Ca 0.13 2.42 -0.16 0.00 1.31 0.00 0.00 55.95 59.65 2poa s SER 26 Cb -0.12 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.55 2poa s SER 26 CO 0.03 -1.95 2.06 0.79 0.41 0.00 0.00 173.24 174.57 2poa n TRP 27 N -2.14 3.80 0.00 2.43 7.02 -1.26 -1.22 117.44 126.07 2poa n TRP 27 Ca 0.14 -2.85 0.00 0.00 -1.02 0.00 0.00 57.50 53.77 2poa n TRP 27 Cb 0.50 -2.55 0.00 0.00 -2.42 0.00 0.00 31.31 26.84 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 7.06 0.00 0.03 6.99 0.00 -1.26 -4.97 120.51 128.36 2poa n ALA 28 Ca 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 2poa n ALA 28 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 1.35 0.00 0.00 1.35 -1.84 -2.25 112.91 111.52 2poa h THR 29 Ca 0.00 -2.07 -0.01 0.00 -0.55 0.00 0.00 66.41 63.78 2poa h THR 29 Cb 0.00 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2poa h THR 29 CO 0.00 0.63 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.79 2poa h ARG 30 N 0.35 0.00 0.01 4.72 2.43 -1.40 -1.12 114.38 119.38 2poa h ARG 30 Ca -0.03 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 2poa h ARG 30 Cb 1.31 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2poa h ARG 30 CO 0.13 0.03 -0.56 1.96 -1.51 0.00 0.00 179.97 180.01 2poa h GLN 31 N 0.00 0.37 -0.64 0.20 7.50 -1.75 -2.17 115.11 118.63 2poa h GLN 31 Ca -0.00 -0.41 -0.01 0.00 0.50 0.00 0.00 58.65 58.73 2poa h GLN 31 Cb 0.05 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.67 2poa h GLN 31 CO 0.00 1.09 0.35 0.82 -1.50 0.00 0.00 178.83 179.60 2poa h ILE 32 N -0.18 1.19 -0.59 2.54 5.03 -1.44 -2.68 117.51 121.38 2poa h ILE 32 Ca -0.07 -0.47 0.09 0.00 -0.12 0.00 0.00 64.86 64.29 2poa h ILE 32 Cb 1.29 0.32 -0.11 0.00 -3.03 0.00 0.00 36.82 35.30 2poa h ILE 32 CO 0.11 0.21 -0.44 1.23 -0.68 0.00 0.00 178.15 178.58 2poa h GLY 33 N 0.94 -0.47 -1.31 5.37 0.00 -1.20 0.91 103.07 107.32 2poa h GLY 33 Ca 0.23 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 48.12 2poa h GLY 33 CO -0.04 -0.16 0.01 1.16 0.00 0.00 0.00 176.54 177.51 2poa n ASN 34 N -5.40 1.57 0.06 0.19 0.23 -0.82 -4.56 115.26 106.53 2poa n ASN 34 Ca 0.02 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 2poa n ASN 34 Cb 0.35 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 2poa n ASN 34 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2poa n THR 35 N 0.10 0.00 -3.65 5.53 -1.04 -1.01 -5.05 114.28 109.16 2poa n THR 35 Ca 0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 2poa n THR 35 Cb 0.35 -0.12 -0.11 0.00 -1.82 0.00 0.00 70.33 68.62 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 -1.35 4.23 0.10 12.58 1.01 0.28 -5.05 120.40 132.21 2poa s VAL 36 Ca 0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 61.98 60.57 2poa s VAL 36 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 36.38 32.77 2poa s VAL 36 CO 0.00 -0.27 0.84 0.35 0.00 0.00 0.00 175.10 176.01 2poa n THR 37 N 4.92 0.97 -2.02 3.92 -2.24 -1.26 -4.62 114.28 113.94 2poa n THR 37 Ca -0.12 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 2poa n THR 37 Cb 0.45 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.48 2.55 -1.46 -0.78 0.04 -1.26 -4.60 135.00 129.01 2poa s PRO 38 Ca 0.77 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 2poa s PRO 38 Cb -1.08 -4.76 0.03 0.00 0.04 0.00 0.00 34.50 28.73 2poa s PRO 38 CO 0.56 -3.13 2.43 2.41 0.04 0.00 0.00 177.00 179.31 2poa n THR 39 N 7.62 4.18 -2.69 1.26 -1.04 -1.26 -4.87 114.28 117.48 2poa n THR 39 Ca 0.32 -3.33 -0.42 0.00 -2.04 0.00 0.00 64.05 58.58 2poa n THR 39 Cb 0.49 -2.48 -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 0.68 -0.64 0.00 0.00 175.07 175.11 2poa s VAL 40 N 1.67 4.23 -0.66 12.58 -7.23 -1.26 -2.55 120.40 127.18 2poa s VAL 40 Ca 0.54 -1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 2poa s VAL 40 Cb 0.15 -4.97 0.10 0.00 0.56 0.00 0.00 36.38 32.22 2poa s VAL 40 CO -0.06 -1.80 0.86 -0.89 -0.31 0.00 0.00 175.10 172.90 2poa s THR 41 N 4.09 4.62 -0.48 5.32 2.01 -1.25 -4.24 115.64 125.71 2poa s THR 41 Ca 0.42 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 2poa s THR 41 Cb -0.01 -4.60 0.06 0.00 0.01 0.00 0.00 72.50 67.95 2poa s THR 41 CO -0.09 -1.31 0.47 0.12 -0.69 0.00 0.00 174.62 173.13 2poa s PHE 42 N 3.21 3.17 -0.03 4.92 2.19 -0.05 -0.54 117.98 130.86 2poa s PHE 42 Ca 0.18 -0.74 -0.02 0.00 0.33 0.00 0.00 56.93 56.69 2poa s PHE 42 Cb -0.19 -3.25 0.02 0.00 -1.31 0.00 0.00 43.02 38.29 2poa s PHE 42 CO 0.06 -0.86 0.07 0.95 1.83 0.00 0.00 175.22 177.27 2poa s THR 43 N 2.02 -0.02 -0.55 0.12 -4.23 -0.23 -0.79 115.64 111.96 2poa s THR 43 Ca 0.08 0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.38 2poa s THR 43 Cb -0.22 -0.12 0.02 0.00 1.34 0.00 0.00 72.50 73.53 2poa s THR 43 CO 0.09 0.03 1.28 -0.32 -0.54 0.00 0.00 174.62 175.15 2poa s MET 44 N 0.39 3.48 -1.10 3.99 1.75 -1.26 0.05 119.30 126.59 2poa s MET 44 Ca -0.03 0.41 -0.16 0.00 -1.25 0.00 0.00 55.69 54.66 2poa s MET 44 Cb -0.04 -4.04 0.15 0.00 2.84 0.00 0.00 34.83 33.74 2poa s MET 44 CO -0.01 -1.72 1.33 0.34 -0.65 0.00 0.00 175.02 174.31 2poa s ASP 45 N 3.45 6.89 0.00 1.11 2.15 0.14 -4.80 116.67 125.61 2poa s ASP 45 Ca 0.48 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.87 2poa s ASP 45 Cb -0.09 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2poa s ASP 45 CO 0.27 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 2poa n GLY 46 N 4.73 2.01 0.20 2.66 0.00 -1.26 -3.49 105.19 110.04 2poa n GLY 46 Ca 0.32 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 4.01 1.82 -4.51 1.61 2.03 -1.26 -5.12 116.55 115.13 2poa n ASP 47 Ca 0.00 0.31 -0.24 0.00 0.52 0.00 0.00 54.79 55.38 2poa n ASP 47 Cb 0.00 -0.72 -0.09 0.00 -0.72 0.00 0.00 41.12 39.59 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 -2.67 1.81 0.19 -0.67 -2.85 -1.23 -5.00 119.74 109.32 2poa s LYS 48 Ca -0.30 -1.72 -0.24 0.00 -1.00 0.00 0.00 55.97 52.71 2poa s LYS 48 Cb 0.08 -1.84 -0.08 0.00 -2.06 0.00 0.00 37.83 33.92 2poa s LYS 48 CO 0.41 0.32 0.78 -1.64 0.10 0.00 0.00 175.35 175.32 2poa s MET 49 N -3.55 4.52 -0.07 1.78 -1.94 -0.12 -0.68 119.30 119.24 2poa s MET 49 Ca 0.31 1.12 -0.00 0.00 -1.71 0.00 0.00 55.69 55.40 2poa s MET 49 Cb -0.05 -3.16 0.03 0.00 2.01 0.00 0.00 34.83 33.66 2poa s MET 49 CO 0.16 0.52 -0.03 0.99 -0.01 0.00 0.00 175.02 176.65 2poa s THR 50 N -1.25 0.54 -0.55 2.05 2.01 0.11 -1.23 115.64 117.32 2poa s THR 50 Ca 0.38 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.10 2poa s THR 50 Cb -0.22 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.71 2poa s THR 50 CO 0.25 0.26 1.00 -0.04 -0.69 0.00 0.00 174.62 175.40 2poa s MET 51 N 1.54 3.38 -1.24 4.92 -1.94 -0.32 -1.07 119.30 124.57 2poa s MET 51 Ca -0.01 -0.12 -0.07 0.00 -1.71 0.00 0.00 55.69 53.77 2poa s MET 51 Cb -0.13 -4.04 0.19 0.00 2.01 0.00 0.00 34.83 32.86 2poa s MET 51 CO -0.04 -1.51 1.89 1.28 -0.01 0.00 0.00 175.02 176.63 2poa n LEU 52 N 7.67 6.86 -4.62 -0.03 4.77 0.30 -1.49 117.00 130.46 2poa n LEU 52 Ca 0.04 -4.81 -0.43 0.00 -0.03 0.00 0.00 56.01 50.78 2poa n LEU 52 Cb 0.48 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2poa n LEU 52 CO 0.65 1.57 1.33 -0.89 -1.33 0.00 0.00 177.39 178.73 2poa s THR 53 N -0.59 3.77 -0.74 -5.08 2.01 -0.53 -3.87 115.64 110.62 2poa s THR 53 Ca 0.40 0.84 0.04 0.00 0.31 0.00 0.00 61.69 63.28 2poa s THR 53 Cb 0.10 -3.87 0.18 0.00 0.01 0.00 0.00 72.50 68.93 2poa s THR 53 CO 0.00 -0.43 0.57 -0.62 -0.69 0.00 0.00 174.62 173.45 2poa n GLU 54 N 7.82 2.05 -4.25 4.92 -0.58 -1.06 -0.16 120.64 129.38 2poa n GLU 54 Ca 0.18 -4.51 -0.25 0.00 -0.42 0.00 0.00 57.16 52.17 2poa n GLU 54 Cb 0.46 -2.31 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 2poa n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2poa s SER 55 N -1.34 4.32 0.28 1.62 0.01 -0.15 -4.23 113.70 114.21 2poa s SER 55 Ca 0.26 -1.02 -0.02 0.00 1.31 0.00 0.00 55.95 56.48 2poa s SER 55 Cb -0.03 -0.53 0.38 0.00 0.21 0.00 0.00 66.02 66.05 2poa s SER 55 CO -0.15 -0.38 1.86 0.74 0.41 0.00 0.00 173.24 175.72 2poa h THR 56 N 1.62 1.22 0.06 1.44 2.02 -1.90 -2.52 112.91 114.86 2poa h THR 56 Ca -0.43 -0.68 -0.33 0.00 0.77 0.00 0.00 66.41 65.74 2poa h THR 56 Cb 1.25 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2poa h THR 56 CO 0.69 0.28 -1.87 0.49 0.37 0.00 0.00 175.52 175.48 2poa n PHE 57 N -4.32 1.11 -3.76 3.16 3.72 -1.26 -4.68 117.46 111.43 2poa n PHE 57 Ca 0.06 0.31 -0.34 0.00 -0.05 0.00 0.00 57.45 57.43 2poa n PHE 57 Cb 0.16 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.43 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 -2.58 2.64 -1.01 -1.08 1.02 -1.21 -4.73 119.74 112.80 2poa s LYS 58 Ca -0.14 -2.85 -0.12 0.00 0.02 0.00 0.00 55.97 52.88 2poa s LYS 58 Cb 0.07 -3.68 0.23 0.00 -0.52 0.00 0.00 37.83 33.94 2poa s LYS 58 CO 0.80 -1.20 1.02 0.54 -0.92 0.00 0.00 175.35 175.59 2poa s ASN 59 N 0.02 7.04 -0.13 2.83 4.22 -0.95 -0.98 114.94 126.99 2poa s ASN 59 Ca 0.21 -3.09 -0.28 0.00 -2.14 0.00 0.00 52.86 47.55 2poa s ASN 59 Cb -0.16 -2.24 0.07 0.00 1.28 0.00 0.00 41.25 40.20 2poa s ASN 59 CO -0.07 -0.50 0.68 -1.48 -2.04 0.00 0.00 177.10 173.70 2poa s LEU 60 N -0.15 -0.65 0.09 3.54 0.05 0.77 -4.98 118.68 117.35 2poa s LEU 60 Ca 0.27 0.97 -0.03 0.00 0.05 0.00 0.00 54.13 55.39 2poa s LEU 60 Cb -0.09 2.48 -0.05 0.00 -2.05 0.00 0.00 46.19 46.48 2poa s LEU 60 CO -0.08 -0.47 0.30 -0.94 -0.55 0.00 0.00 176.35 174.61 2poa s SER 61 N -0.62 6.44 -0.07 1.48 1.04 -1.26 -1.45 113.70 119.26 2poa s SER 61 Ca -0.07 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 2poa s SER 61 Cb -0.02 -2.04 0.03 0.00 0.10 0.00 0.00 66.02 64.09 2poa s SER 61 CO 0.07 0.12 0.16 -0.69 0.98 0.00 0.00 173.24 173.88 2poa s VAL 62 N -1.55 -0.03 0.01 5.02 1.01 -0.56 -4.97 120.40 119.34 2poa s VAL 62 Ca 0.37 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2poa s VAL 62 Cb -0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2poa s VAL 62 CO 0.25 0.04 -0.13 -0.89 0.00 0.00 0.00 175.10 174.36 2poa s THR 63 N 0.70 3.14 0.20 3.92 2.01 -1.26 -1.18 115.64 123.17 2poa s THR 63 Ca -0.05 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 2poa s THR 63 Cb -0.07 -2.32 0.06 0.00 0.01 0.00 0.00 72.50 70.18 2poa s THR 63 CO -0.04 0.39 0.92 0.72 -0.69 0.00 0.00 174.62 175.93 2poa s PHE 64 N -0.92 -0.09 0.35 4.92 -0.12 -0.36 -4.95 117.98 116.80 2poa s PHE 64 Ca 0.15 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.79 2poa s PHE 64 Cb -0.11 0.68 -0.07 0.00 -0.63 0.00 0.00 43.02 42.89 2poa s PHE 64 CO 0.05 -0.97 0.05 -1.59 -0.05 0.00 0.00 175.22 172.71 2poa s LYS 65 N -3.14 1.73 -1.11 1.99 -2.85 -1.26 -0.94 119.74 114.16 2poa s LYS 65 Ca 0.14 -1.97 -0.23 0.00 -1.00 0.00 0.00 55.97 52.91 2poa s LYS 65 Cb -0.03 -1.03 -0.06 0.00 -2.06 0.00 0.00 37.83 34.65 2poa s LYS 65 CO 0.04 -0.17 1.91 -0.59 0.10 0.00 0.00 175.35 176.64 2poa s PHE 66 N -3.17 1.99 0.00 1.78 -0.12 -1.26 -2.45 117.98 114.75 2poa s PHE 66 Ca 0.35 0.33 0.00 0.00 -0.05 0.00 0.00 56.93 57.56 2poa s PHE 66 Cb 0.09 -4.09 0.00 0.00 -0.63 0.00 0.00 43.02 38.39 2poa s PHE 66 CO 0.16 -1.42 0.00 0.41 -0.05 0.00 0.00 175.22 174.32 2poa n GLY 67 N 6.12 1.38 3.82 1.99 0.00 -0.63 -4.90 105.19 112.96 2poa n GLY 67 Ca 0.43 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 4.07 -0.91 1.61 0.41 -1.03 -4.77 118.70 118.08 2poa s GLU 68 Ca 0.00 1.12 -0.17 0.00 -0.41 0.00 0.00 54.97 55.51 2poa s GLU 68 Cb 0.00 -2.15 0.16 0.00 -1.78 0.00 0.00 34.13 30.36 2poa s GLU 68 CO 0.00 -0.18 1.03 -1.21 -0.49 0.00 0.00 175.26 174.41 2poa s GLU 69 N -3.44 3.62 0.01 1.61 2.02 -1.26 -2.12 118.70 119.14 2poa s GLU 69 Ca 0.62 -2.01 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 2poa s GLU 69 Cb -0.11 -4.77 -0.04 0.00 0.10 0.00 0.00 34.13 29.32 2poa s GLU 69 CO 0.19 -1.62 0.94 -0.59 0.02 0.00 0.00 175.26 174.20 2poa s PHE 70 N 1.86 3.68 0.19 1.61 -0.71 -0.95 -4.60 117.98 119.05 2poa s PHE 70 Ca 0.28 1.65 -0.10 0.00 -1.04 0.00 0.00 56.93 57.73 2poa s PHE 70 Cb -0.06 -3.06 -0.07 0.00 -1.21 0.00 0.00 43.02 38.62 2poa s PHE 70 CO -0.09 0.04 0.51 0.16 -1.34 0.00 0.00 175.22 174.51 2poa s ASP 71 N 0.80 6.65 0.01 1.98 -4.77 -1.26 -2.16 116.67 117.90 2poa s ASP 71 Ca 0.49 0.90 -0.11 0.00 -3.30 0.00 0.00 52.55 50.53 2poa s ASP 71 Cb -0.21 -2.22 0.01 0.00 -1.09 0.00 0.00 42.92 39.42 2poa s ASP 71 CO 0.27 -0.00 0.22 -1.83 0.70 0.00 0.00 175.17 174.53 2poa s GLU 72 N -2.56 0.62 -0.19 2.11 -1.05 -0.17 -5.00 118.70 112.46 2poa s GLU 72 Ca 0.44 -0.38 -0.12 0.00 -0.15 0.00 0.00 54.97 54.76 2poa s GLU 72 Cb -0.12 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 2poa s GLU 72 CO 0.21 -0.17 0.21 -1.59 0.95 0.00 0.00 175.26 174.87 2poa s LYS 73 N -1.67 4.21 0.57 -4.83 0.00 -1.26 -0.54 119.74 116.21 2poa s LYS 73 Ca -0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 55.97 55.66 2poa s LYS 73 Cb -0.05 -3.44 -0.05 0.00 0.00 0.00 0.00 37.83 34.29 2poa s LYS 73 CO 0.01 0.23 0.97 0.95 0.00 0.00 0.00 175.35 177.52 2poa s THR 74 N 0.52 4.71 0.44 3.79 -4.23 -0.62 -4.88 115.64 115.36 2poa s THR 74 Ca 0.12 0.84 0.22 0.00 -1.18 0.00 0.00 61.69 61.69 2poa s THR 74 Cb -0.12 -3.83 0.42 0.00 1.34 0.00 0.00 72.50 70.30 2poa s THR 74 CO 0.01 -0.98 1.82 0.77 -0.54 0.00 0.00 174.62 175.70 2poa h SER 75 N 0.09 0.33 -0.83 3.99 4.64 -1.92 -1.29 113.55 118.56 2poa h SER 75 Ca -0.45 0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.02 2poa h SER 75 Cb 1.19 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 2poa h SER 75 CO 0.62 0.09 0.54 -0.78 -0.87 0.00 0.00 176.83 176.43 2poa h ASP 76 N 0.31 0.68 0.00 4.97 3.58 -1.95 -3.48 116.42 120.53 2poa h ASP 76 Ca 0.53 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.00 2poa h ASP 76 Cb 1.51 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2poa h ASP 76 CO -0.19 0.40 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2poa n GLY 77 N -1.44 0.74 3.57 -0.78 0.00 -0.49 -4.82 105.19 101.98 2poa n GLY 77 Ca 0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 2poa n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2poa s ARG 78 N -1.36 0.48 -0.01 1.61 1.70 -1.26 -4.94 118.95 115.17 2poa s ARG 78 Ca 0.00 1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 56.03 2poa s ARG 78 Cb 0.00 0.51 -0.05 0.00 -0.57 0.00 0.00 34.95 34.84 2poa s ARG 78 CO 0.00 -0.14 1.29 0.54 -1.08 0.00 0.00 175.30 175.91 2poa s ASN 79 N 2.34 6.96 0.05 -2.89 2.20 -1.26 -1.59 114.94 120.76 2poa s ASN 79 Ca -0.06 1.99 -0.00 0.00 -0.94 0.00 0.00 52.86 53.85 2poa s ASN 79 Cb -0.08 -2.56 -0.04 0.00 -2.00 0.00 0.00 41.25 36.57 2poa s ASN 79 CO -0.18 -0.63 -0.04 0.68 -2.94 0.00 0.00 177.10 173.99 2poa s VAL 80 N 2.09 0.31 0.45 3.54 -7.23 0.30 -4.40 120.40 115.45 2poa s VAL 80 Ca 0.60 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 2poa s VAL 80 Cb -0.29 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 2poa s VAL 80 CO 0.25 -0.84 0.07 -1.59 -0.31 0.00 0.00 175.10 172.68 2poa s LYS 81 N -3.28 2.04 -0.26 4.82 -2.85 -0.60 -1.00 119.74 118.62 2poa s LYS 81 Ca 0.02 -2.27 -0.07 0.00 -1.00 0.00 0.00 55.97 52.65 2poa s LYS 81 Cb 0.03 -1.04 0.12 0.00 -2.06 0.00 0.00 37.83 34.88 2poa s LYS 81 CO -0.07 -0.41 0.54 -1.12 0.10 0.00 0.00 175.35 174.39 2poa s SER 82 N -3.73 -0.76 -0.43 0.03 0.01 -0.92 -0.44 113.70 107.47 2poa s SER 82 Ca 0.16 1.20 -0.26 0.00 1.31 0.00 0.00 55.95 58.37 2poa s SER 82 Cb 0.02 1.87 0.02 0.00 0.21 0.00 0.00 66.02 68.14 2poa s SER 82 CO 0.10 -0.23 0.93 0.54 0.41 0.00 0.00 173.24 174.99 2poa s VAL 83 N 2.77 4.50 -0.17 3.43 0.11 -0.64 -2.23 120.40 128.16 2poa s VAL 83 Ca -0.00 0.92 -0.17 0.00 -2.93 0.00 0.00 61.98 59.80 2poa s VAL 83 Cb -0.13 -4.41 -0.04 0.00 -1.53 0.00 0.00 36.38 30.28 2poa s VAL 83 CO -0.17 -0.74 0.43 -0.69 -3.33 0.00 0.00 175.10 170.60 2poa s VAL 84 N 3.69 5.19 -0.11 2.04 1.01 -0.90 -2.21 120.40 129.11 2poa s VAL 84 Ca 0.38 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 2poa s VAL 84 Cb -0.11 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2poa s VAL 84 CO 0.24 0.27 0.49 -0.70 0.00 0.00 0.00 175.10 175.41 2poa s GLU 85 N 1.08 0.72 -0.42 2.72 2.56 -1.26 -1.61 118.70 122.49 2poa s GLU 85 Ca 0.22 0.35 -0.29 0.00 0.00 0.00 0.00 54.97 55.24 2poa s GLU 85 Cb -0.15 0.34 0.02 0.00 2.00 0.00 0.00 34.13 36.35 2poa s GLU 85 CO 0.08 -0.16 1.15 -1.59 -0.56 0.00 0.00 175.26 174.18 2poa s LYS 86 N -0.52 3.82 0.09 4.30 0.00 -1.26 -1.65 119.74 124.52 2poa s LYS 86 Ca -0.06 0.76 -0.14 0.00 0.00 0.00 0.00 55.97 56.52 2poa s LYS 86 Cb -0.03 -3.87 -0.13 0.00 0.00 0.00 0.00 37.83 33.80 2poa s LYS 86 CO 0.04 -1.25 1.34 -0.97 0.00 0.00 0.00 175.35 174.50 2poa h ASN 87 N 9.01 0.81 -4.06 0.03 -0.73 -0.74 -3.45 115.58 116.45 2poa h ASN 87 Ca -0.23 -0.57 -0.50 0.00 1.87 0.00 0.00 56.30 56.87 2poa h ASN 87 Cb 1.06 -0.24 -0.13 0.00 0.27 0.00 0.00 38.32 39.29 2poa h ASN 87 CO 1.10 1.24 -0.52 -0.44 -0.37 0.00 0.00 177.43 178.43 2poa s SER 88 N -6.80 2.25 0.00 1.15 0.01 -0.68 -4.96 113.70 104.67 2poa s SER 88 Ca -0.12 -1.65 0.14 0.00 1.31 0.00 0.00 55.95 55.63 2poa s SER 88 Cb 0.08 0.47 0.85 0.00 0.21 0.00 0.00 66.02 67.63 2poa s SER 88 CO 0.86 -0.94 1.28 -0.62 0.41 0.00 0.00 173.24 174.24 2poa n GLU 89 N -0.77 0.57 -1.81 12.44 4.71 -1.26 -0.84 120.64 133.67 2poa n GLU 89 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.09 2poa n GLU 89 Cb 0.64 -1.39 0.07 0.00 -1.01 0.00 0.00 31.44 29.75 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 -0.89 2.41 -3.33 1.62 3.41 -1.26 -2.18 113.62 113.40 2poa n SER 90 Ca 0.11 -2.92 -0.09 0.00 -0.26 0.00 0.00 58.87 55.70 2poa n SER 90 Cb 0.05 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.78 0.37 0.56 4.33 2.20 -0.02 -3.22 119.74 121.18 2poa s LYS 91 Ca 0.38 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.36 2poa s LYS 91 Cb 0.37 -0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2poa s LYS 91 CO -0.05 -0.78 0.82 -1.17 -0.36 0.00 0.00 175.35 173.82 2poa s LEU 92 N 2.54 3.28 -0.46 5.43 2.96 -0.05 -0.03 118.68 132.37 2poa s LEU 92 Ca 0.12 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2poa s LEU 92 Cb -0.14 -3.18 0.18 0.00 0.50 0.00 0.00 46.19 43.54 2poa s LEU 92 CO -0.21 -1.08 0.56 -0.89 -1.32 0.00 0.00 176.35 173.41 2poa s THR 93 N -2.85 -0.52 -1.27 3.68 2.01 -0.66 -0.03 115.64 116.01 2poa s THR 93 Ca 0.54 -1.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2poa s THR 93 Cb -0.10 -0.46 0.17 0.00 0.01 0.00 0.00 72.50 72.11 2poa s THR 93 CO 0.41 -0.45 2.10 1.67 -0.69 0.00 0.00 174.62 177.66 2poa n GLN 94 N 3.22 4.31 -1.73 4.92 7.27 -1.26 -4.07 117.38 130.05 2poa n GLN 94 Ca 0.20 -3.66 -0.43 0.00 0.07 0.00 0.00 57.00 53.18 2poa n GLN 94 Cb 0.52 -2.71 -0.03 0.00 2.41 0.00 0.00 30.24 30.43 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 -0.98 3.14 -0.45 1.69 2.01 -0.94 -4.44 115.64 115.68 2poa s THR 95 Ca 0.46 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 2poa s THR 95 Cb 0.14 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.52 2poa s THR 95 CO -0.05 -0.07 0.89 -1.10 -0.69 0.00 0.00 174.62 173.60 2poa s GLN 96 N 5.48 3.55 -0.84 4.92 -0.21 -1.25 -1.62 119.66 129.68 2poa s GLN 96 Ca 0.91 0.15 -0.16 0.00 0.02 0.00 0.00 55.36 56.28 2poa s GLN 96 Cb -0.34 -3.91 0.18 0.00 1.00 0.00 0.00 33.01 29.93 2poa s GLN 96 CO 0.36 -1.16 0.89 0.08 -2.12 0.00 0.00 175.29 173.34 2poa s VAL 97 N 3.60 5.23 0.81 1.09 1.01 0.42 -1.34 120.40 131.21 2poa s VAL 97 Ca 0.35 -2.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.22 2poa s VAL 97 Cb -0.11 -4.58 0.12 0.00 0.00 0.00 0.00 36.38 31.81 2poa s VAL 97 CO 0.24 -1.21 1.15 -1.81 0.00 0.00 0.00 175.10 173.47 2poa s ASP 98 N 2.83 4.10 0.18 3.32 1.11 -1.26 -1.55 116.67 125.40 2poa s ASP 98 Ca 0.23 0.31 0.10 0.00 0.18 0.00 0.00 52.55 53.37 2poa s ASP 98 Cb -0.10 -0.68 0.56 0.00 1.07 0.00 0.00 42.92 43.77 2poa s ASP 98 CO -0.08 -2.09 1.25 -0.81 1.18 0.00 0.00 175.17 174.63 2poa n PRO 99 N -3.27 0.07 -0.01 8.23 -0.04 -1.26 -1.34 135.00 137.38 2poa n PRO 99 Ca 0.12 0.52 0.09 0.00 -0.04 0.00 0.00 63.50 64.19 2poa n PRO 99 Cb 0.60 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 2poa n PRO 99 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2poa n LYS 100 N -1.84 0.67 -1.41 0.54 5.02 -1.26 -5.12 118.16 114.77 2poa n LYS 100 Ca -0.01 -0.13 -0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2poa n LYS 100 Cb 0.13 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2poa n ASN 101 N -1.99 -3.99 -4.69 4.39 3.02 -0.45 -5.01 115.26 106.54 2poa n ASN 101 Ca -0.02 0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 54.63 2poa n ASN 101 Cb 0.43 -2.19 -0.03 0.00 -0.61 0.00 0.00 39.78 37.38 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 -0.17 4.21 0.18 3.41 2.01 -0.45 -4.83 115.64 120.00 2poa s THR 102 Ca -0.00 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 2poa s THR 102 Cb 0.00 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 2poa s THR 102 CO 0.01 0.03 0.97 -0.89 -0.69 0.00 0.00 174.62 174.05 2poa s THR 103 N 1.91 4.23 0.00 -0.82 2.01 -0.78 -3.94 115.64 118.25 2poa s THR 103 Ca 0.57 2.02 0.00 0.00 0.31 0.00 0.00 61.69 64.58 2poa s THR 103 Cb -0.26 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 67.96 2poa s THR 103 CO 0.24 0.39 0.00 1.33 -0.69 0.00 0.00 174.62 175.89 2poa n VAL 104 N 2.15 0.00 -2.73 3.82 0.24 -1.26 -4.01 118.33 116.54 2poa n VAL 104 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2poa n VAL 104 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.00 4.41 -1.66 1.34 -0.00 -1.26 -4.68 119.36 117.50 2poa n ILE 105 Ca 0.00 -4.75 -0.46 0.00 -0.00 0.00 0.00 62.75 57.54 2poa n ILE 105 Cb 0.00 -2.40 -0.04 0.00 -0.00 0.00 0.00 39.64 37.20 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 2poa n VAL 106 N 3.65 0.62 -3.74 7.28 0.24 -1.25 -3.99 118.33 121.15 2poa n VAL 106 Ca 0.36 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.34 62.15 2poa n VAL 106 Cb 0.39 -2.07 -0.11 0.00 -1.47 0.00 0.00 33.84 30.58 2poa n VAL 106 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2poa s ARG 107 N 4.46 2.24 0.47 7.34 0.52 0.96 -2.05 118.95 132.88 2poa s ARG 107 Ca 0.93 -2.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.17 2poa s ARG 107 Cb -0.59 -3.67 0.03 0.00 0.52 0.00 0.00 34.95 31.25 2poa s ARG 107 CO 0.47 -1.12 0.62 -2.00 0.02 0.00 0.00 175.30 173.30 2poa s GLU 108 N 0.76 2.65 -0.06 3.54 2.12 -0.20 -0.87 118.70 126.63 2poa s GLU 108 Ca 0.11 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 54.05 2poa s GLU 108 Cb -0.22 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.50 2poa s GLU 108 CO -0.04 -0.45 -0.04 0.54 -0.54 0.00 0.00 175.26 174.74 2poa s VAL 109 N -2.46 0.57 -0.77 3.70 0.11 -1.20 -0.98 120.40 119.37 2poa s VAL 109 Ca 0.56 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.53 2poa s VAL 109 Cb -0.08 -0.64 0.37 0.00 -1.53 0.00 0.00 36.38 34.50 2poa s VAL 109 CO 0.34 0.26 1.91 0.47 -3.33 0.00 0.00 175.10 174.75 2poa n ASP 110 N 4.53 7.18 -1.76 3.54 9.92 -0.38 -4.80 116.55 134.77 2poa n ASP 110 Ca -0.17 -3.82 -0.00 0.00 -0.53 0.00 0.00 54.79 50.27 2poa n ASP 110 Cb 0.50 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.58 -0.52 3.94 0.44 0.00 -1.26 -4.38 105.19 102.83 2poa n GLY 111 Ca 0.53 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.01 -3.97 -3.49 1.61 9.92 -1.26 -4.97 116.55 113.38 2poa n ASP 112 Ca 0.00 -0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 53.17 2poa n ASP 112 Cb 0.42 -3.22 -0.13 0.00 -0.64 0.00 0.00 41.12 37.56 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2poa s THR 113 N -3.21 0.19 -0.76 -3.53 -1.32 -1.26 -4.66 115.64 101.08 2poa s THR 113 Ca 0.65 -1.61 -0.26 0.00 -1.21 0.00 0.00 61.69 59.27 2poa s THR 113 Cb -0.34 -1.15 -0.08 0.00 -1.51 0.00 0.00 72.50 69.41 2poa s THR 113 CO 0.80 -0.94 2.19 -0.32 -2.21 0.00 0.00 174.62 174.14 2poa s MET 114 N 1.19 2.10 -0.61 7.08 1.75 0.15 -1.25 119.30 129.71 2poa s MET 114 Ca 0.17 0.39 -0.20 0.00 -1.25 0.00 0.00 55.69 54.79 2poa s MET 114 Cb -0.22 -4.80 0.09 0.00 2.84 0.00 0.00 34.83 32.74 2poa s MET 114 CO -0.05 -3.73 0.77 0.21 -0.65 0.00 0.00 175.02 171.58 2poa s LYS 115 N 7.97 3.07 -0.34 4.11 2.20 -0.16 -1.47 119.74 135.13 2poa s LYS 115 Ca 0.83 -1.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2poa s LYS 115 Cb -0.11 -4.25 0.08 0.00 -1.51 0.00 0.00 37.83 32.04 2poa s LYS 115 CO 0.09 -1.60 0.07 0.95 -0.36 0.00 0.00 175.35 174.50 2poa s THR 116 N 3.08 2.94 -0.79 3.43 -4.23 0.69 -1.03 115.64 119.72 2poa s THR 116 Ca 0.15 -1.76 -0.26 0.00 -1.18 0.00 0.00 61.69 58.64 2poa s THR 116 Cb -0.22 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.78 2poa s THR 116 CO 0.08 -0.36 1.44 -0.89 -0.54 0.00 0.00 174.62 174.34 2poa s THR 117 N 1.16 3.70 -0.59 3.99 2.01 -0.87 -1.44 115.64 123.59 2poa s THR 117 Ca 0.01 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.89 2poa s THR 117 Cb -0.21 -4.76 0.09 0.00 0.01 0.00 0.00 72.50 67.64 2poa s THR 117 CO -0.03 -1.69 0.74 0.54 -0.69 0.00 0.00 174.62 173.49 2poa s VAL 118 N 6.29 4.73 0.20 3.82 0.11 -0.05 -3.87 120.40 131.63 2poa s VAL 118 Ca 0.44 -0.82 0.09 0.00 -2.93 0.00 0.00 61.98 58.76 2poa s VAL 118 Cb -0.07 -4.51 -0.04 0.00 -1.53 0.00 0.00 36.38 30.23 2poa s VAL 118 CO 0.09 -1.15 -0.08 0.28 -3.33 0.00 0.00 175.10 170.91 2poa s THR 119 N 2.94 3.23 -0.40 5.04 -1.32 -1.26 -0.75 115.64 123.12 2poa s THR 119 Ca 0.14 -1.73 0.03 0.00 -1.21 0.00 0.00 61.69 58.92 2poa s THR 119 Cb -0.22 -2.63 0.16 0.00 -1.51 0.00 0.00 72.50 68.30 2poa s THR 119 CO 0.08 -0.17 0.38 -0.69 -2.21 0.00 0.00 174.62 172.00 2poa s VAL 120 N -1.86 -0.12 0.00 5.08 1.01 -1.26 -1.86 120.40 121.39 2poa s VAL 120 Ca 0.26 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2poa s VAL 120 Cb -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2poa s VAL 120 CO 0.16 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.08 2poa n GLY 121 N 3.62 0.86 2.57 4.51 0.00 -1.26 -4.13 105.19 111.35 2poa n GLY 121 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 2.09 -1.97 0.05 1.61 5.75 -1.26 -5.01 116.55 117.81 2poa n ASP 122 Ca 0.00 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 2poa n ASP 122 Cb 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 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 2.36 0.08 -2.79 2.12 0.31 -1.26 -5.07 118.33 114.09 2poa n VAL 123 Ca 0.19 0.03 -0.04 0.00 -0.01 0.00 0.00 64.34 64.51 2poa n VAL 123 Cb 0.55 -0.37 0.01 0.00 -0.91 0.00 0.00 33.84 33.12 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 -2.86 -9.81 -3.13 2.52 -1.04 -1.24 -4.97 114.28 93.74 2poa n THR 124 Ca 0.00 0.39 -0.45 0.00 -2.04 0.00 0.00 64.05 61.95 2poa n THR 124 Cb 0.00 -6.82 -0.05 0.00 -1.82 0.00 0.00 70.33 61.65 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 -2.67 3.44 -0.88 2.41 0.00 0.07 -4.79 121.76 119.34 2poa s ALA 125 Ca 0.13 -2.26 -0.25 0.00 0.00 0.00 0.00 51.96 49.59 2poa s ALA 125 Cb -0.04 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 2poa s ALA 125 CO 0.68 -2.31 1.68 -1.50 0.00 0.00 0.00 175.76 174.32 2poa s ILE 126 N 2.56 3.63 -0.20 0.00 1.10 -1.26 -0.87 121.20 126.15 2poa s ILE 126 Ca 0.10 -0.32 -0.20 0.00 -0.51 0.00 0.00 60.65 59.73 2poa s ILE 126 Cb -0.25 -4.47 -0.03 0.00 0.15 0.00 0.00 42.46 37.87 2poa s ILE 126 CO 0.06 -1.39 0.60 -0.13 -2.11 0.00 0.00 174.94 171.96 2poa s ARG 127 N 6.17 4.21 -0.23 3.50 0.52 -0.52 -4.18 118.95 128.42 2poa s ARG 127 Ca 0.57 0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 56.23 2poa s ARG 127 Cb -0.05 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 2poa s ARG 127 CO 0.01 -0.21 0.17 -0.80 0.02 0.00 0.00 175.30 174.49 2poa s ASN 128 N 1.18 6.15 0.36 0.23 0.01 -1.24 -0.22 114.94 121.42 2poa s ASN 128 Ca 0.27 0.15 0.08 0.00 -0.71 0.00 0.00 52.86 52.66 2poa s ASN 128 Cb -0.16 -2.11 -0.06 0.00 0.41 0.00 0.00 41.25 39.34 2poa s ASN 128 CO 0.10 0.08 0.06 -0.31 -1.51 0.00 0.00 177.10 175.52 2poa s TYR 129 N 0.94 2.57 -0.21 2.20 1.51 -0.54 -0.05 117.35 123.76 2poa s TYR 129 Ca 0.08 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.59 2poa s TYR 129 Cb -0.13 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2poa s TYR 129 CO 0.03 0.40 0.02 0.15 -1.11 0.00 0.00 175.55 175.04 2poa s LYS 130 N -3.76 3.61 -0.39 -0.62 3.01 -0.32 -0.68 119.74 120.59 2poa s LYS 130 Ca 0.36 -0.51 -0.28 0.00 -1.01 0.00 0.00 55.97 54.53 2poa s LYS 130 Cb 0.02 -3.14 0.02 0.00 -1.01 0.00 0.00 37.83 33.72 2poa s LYS 130 CO 0.20 -0.05 1.03 0.50 0.51 0.00 0.00 175.35 177.54 2poa s ARG 131 N 1.18 3.85 -0.13 1.68 3.00 -1.26 -2.29 118.95 124.98 2poa s ARG 131 Ca 0.03 0.68 0.00 0.00 -1.00 0.00 0.00 55.73 55.45 2poa s ARG 131 Cb -0.14 -3.82 -0.01 0.00 0.00 0.00 0.00 34.95 30.97 2poa s ARG 131 CO 0.02 -1.08 -0.14 -0.51 0.00 0.00 0.00 175.30 173.59 2poa s LEU 132 N 3.82 2.64 0.00 -0.88 1.43 0.57 -4.94 118.68 121.32 2poa s LEU 132 Ca 0.43 -0.35 0.26 0.00 -1.03 0.00 0.00 54.13 53.44 2poa s LEU 132 Cb -0.11 -1.59 0.66 0.00 0.03 0.00 0.00 46.19 45.19 2poa s LEU 132 CO 0.22 0.17 1.52 -1.54 0.23 0.00 0.00 176.35 176.95