#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa s SER 2 N 0.00 6.16 0.06 6.12 1.04 -1.26 -2.82 113.70 123.01 2poa s SER 2 Ca 0.00 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.28 2poa s SER 2 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2poa s SER 2 CO 0.00 -1.89 0.00 -0.24 0.98 0.00 0.00 173.24 172.09 2poa n SER 3 N 10.63 -0.57 -4.29 7.02 2.88 -1.26 -4.96 113.62 123.08 2poa n SER 3 Ca 0.47 0.40 -0.44 0.00 -1.33 0.00 0.00 58.87 57.98 2poa n SER 3 Cb 0.46 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 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 -2.78 4.47 -4.77 0.66 -1.74 -1.13 -5.01 117.46 107.17 2poa n PHE 4 Ca 0.00 -3.36 -0.33 0.00 -0.56 0.00 0.00 57.45 53.20 2poa n PHE 4 Cb 0.00 -1.90 -0.14 0.00 1.52 0.00 0.00 39.48 38.96 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 -0.07 2.75 0.00 5.98 1.43 -1.26 -4.85 118.68 122.66 2poa s LEU 5 Ca 0.37 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2poa s LEU 5 Cb -0.02 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2poa s LEU 5 CO -0.01 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2poa n GLY 6 N 3.43 0.98 3.74 -3.19 0.00 0.06 -4.80 105.19 105.40 2poa n GLY 6 Ca -0.18 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.36 4.54 -0.32 1.61 -2.85 -0.13 -0.81 119.74 120.42 2poa s LYS 7 Ca 0.00 1.15 -0.04 0.00 -1.00 0.00 0.00 55.97 56.09 2poa s LYS 7 Cb 0.00 -3.37 0.05 0.00 -2.06 0.00 0.00 37.83 32.45 2poa s LYS 7 CO 0.00 0.26 0.05 -1.58 0.10 0.00 0.00 175.35 174.18 2poa s TRP 8 N -0.02 3.28 -0.09 1.78 0.51 -1.26 -0.80 118.94 122.34 2poa s TRP 8 Ca 0.41 -1.72 0.03 0.00 -2.12 0.00 0.00 56.10 52.70 2poa s TRP 8 Cb -0.21 -2.23 -0.01 0.00 -0.81 0.00 0.00 33.47 30.20 2poa s TRP 8 CO 0.24 -0.78 -0.19 0.15 -0.51 0.00 0.00 176.95 175.87 2poa s LYS 9 N 1.31 2.89 0.04 4.98 1.02 -0.82 -3.81 119.74 125.34 2poa s LYS 9 Ca -0.03 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 2poa s LYS 9 Cb -0.20 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.66 2poa s LYS 9 CO 0.00 0.35 1.55 -1.17 -0.92 0.00 0.00 175.35 175.16 2poa s LEU 10 N -0.03 4.34 -0.11 3.17 2.96 -1.26 -0.85 118.68 126.89 2poa s LEU 10 Ca -0.05 2.32 -0.13 0.00 -0.22 0.00 0.00 54.13 56.05 2poa s LEU 10 Cb -0.14 -3.56 -0.27 0.00 0.50 0.00 0.00 46.19 42.72 2poa s LEU 10 CO 0.04 -0.82 0.48 -1.28 -1.32 0.00 0.00 176.35 173.45 2poa h SER 11 N 8.17 0.39 -4.42 3.68 0.87 -0.97 -3.46 113.55 117.80 2poa h SER 11 Ca -0.40 -0.86 -0.15 0.00 -1.23 0.00 0.00 61.79 59.15 2poa h SER 11 Cb 1.19 -0.13 -0.23 0.00 -0.44 0.00 0.00 62.40 62.80 2poa h SER 11 CO 0.92 1.71 -0.41 -1.83 -0.53 0.00 0.00 176.83 176.69 2poa s GLU 12 N -2.51 0.44 -0.54 2.24 -1.05 -0.98 -5.01 118.70 111.28 2poa s GLU 12 Ca -0.21 0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 54.44 2poa s GLU 12 Cb 0.05 0.20 0.08 0.00 -0.44 0.00 0.00 34.13 34.02 2poa s GLU 12 CO 0.76 -0.09 0.63 0.45 0.95 0.00 0.00 175.26 177.95 2poa s SER 13 N -0.64 6.20 -0.08 0.83 0.15 -1.26 -3.47 113.70 115.42 2poa s SER 13 Ca -0.07 -1.22 -0.01 0.00 0.70 0.00 0.00 55.95 55.36 2poa s SER 13 Cb -0.04 -2.28 -0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2poa s SER 13 CO 0.02 -0.95 -0.01 -0.74 1.20 0.00 0.00 173.24 172.75 2poa h HIS 14 N 9.04 0.00 0.00 3.44 2.76 -1.93 -3.41 115.15 125.05 2poa h HIS 14 Ca -0.29 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 2poa h HIS 14 Cb 1.09 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.02 2poa h HIS 14 CO 0.77 0.00 -0.38 0.09 -1.30 0.00 0.00 177.93 177.11 2poa n ASN 15 N -4.21 1.79 -4.25 3.26 3.02 -1.26 -4.97 115.26 108.63 2poa n ASN 15 Ca -0.00 -3.42 -0.43 0.00 -0.03 0.00 0.00 54.58 50.70 2poa n ASN 15 Cb 0.01 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.05 4.22 0.14 3.10 7.35 -1.26 -4.23 117.46 125.73 2poa n PHE 16 Ca 0.16 -3.09 0.00 0.00 -0.76 0.00 0.00 57.45 53.76 2poa n PHE 16 Cb 0.71 -2.21 0.00 0.00 0.35 0.00 0.00 39.48 38.33 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 5.54 -1.30 0.16 -2.13 5.75 -1.26 -4.05 116.55 119.27 2poa n ASP 17 Ca 0.41 0.52 0.05 0.00 -0.01 0.00 0.00 54.79 55.75 2poa n ASP 17 Cb 0.41 1.37 0.10 0.00 -1.03 0.00 0.00 41.12 41.97 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 0.77 -0.87 2.12 0.00 -1.97 -3.24 119.26 116.07 2poa h ALA 18 Ca 0.00 -0.35 0.23 0.00 0.00 0.00 0.00 54.91 54.78 2poa h ALA 18 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.58 2poa h ALA 18 CO 0.00 0.48 0.15 -0.24 0.00 0.00 0.00 179.25 179.65 2poa h VAL 19 N 0.00 0.27 0.02 0.00 3.04 -1.94 0.17 116.25 117.82 2poa h VAL 19 Ca -0.00 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.58 2poa h VAL 19 Cb 1.24 0.11 0.01 0.00 -2.01 0.00 0.00 31.29 30.64 2poa h VAL 19 CO 0.05 0.03 -0.24 0.24 -1.01 0.00 0.00 177.57 176.64 2poa h MET 20 N 0.15 0.12 -0.46 4.17 2.86 -1.94 -3.26 114.93 116.57 2poa h MET 20 Ca 0.53 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2poa h MET 20 Cb 1.05 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2poa h MET 20 CO -0.70 0.98 0.29 1.03 1.06 0.00 0.00 176.91 179.57 2poa h SER 21 N -0.67 0.54 0.38 1.22 0.87 -1.54 -1.67 113.55 112.68 2poa h SER 21 Ca -0.04 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2poa h SER 21 Cb 1.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2poa h SER 21 CO 0.05 0.41 -0.26 0.07 -0.53 0.00 0.00 176.83 176.57 2poa h LYS 22 N 0.63 0.00 -0.33 2.24 2.10 -0.82 -2.90 116.57 117.49 2poa h LYS 22 Ca 0.17 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.76 2poa h LYS 22 Cb -0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 2poa h LYS 22 CO -0.03 0.26 -0.00 1.25 -2.00 0.00 0.00 179.45 178.92 2poa h LEU 23 N 0.00 0.57 0.00 7.07 5.85 -1.43 -3.49 115.31 123.88 2poa h LEU 23 Ca -0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2poa h LEU 23 Cb 0.51 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2poa h LEU 23 CO 0.03 0.74 0.00 0.61 -0.34 0.00 0.00 178.44 179.49 2poa n GLY 24 N -0.34 0.12 3.59 3.75 0.00 -0.69 -4.60 105.19 107.03 2poa n GLY 24 Ca -0.02 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 4.07 0.47 1.61 1.01 -1.23 -5.02 120.40 121.31 2poa s VAL 25 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 2poa s VAL 25 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 2poa s VAL 25 CO 0.00 0.55 1.14 -0.44 0.00 0.00 0.00 175.10 176.35 2poa s SER 26 N -0.29 6.16 0.00 3.32 0.01 -1.26 -4.56 113.70 117.07 2poa s SER 26 Ca 0.05 2.24 -0.01 0.00 1.31 0.00 0.00 55.95 59.55 2poa s SER 26 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2poa s SER 26 CO 0.02 -0.92 1.70 0.79 0.41 0.00 0.00 173.24 175.24 2poa n TRP 27 N -0.60 0.00 -0.02 2.43 7.02 -1.26 -1.04 117.44 123.97 2poa n TRP 27 Ca 0.08 -0.81 -0.04 0.00 -1.02 0.00 0.00 57.50 55.71 2poa n TRP 27 Cb 0.49 -0.57 -0.01 0.00 -2.42 0.00 0.00 31.31 28.80 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 1.77 2.71 0.17 6.99 0.00 -1.26 -4.87 120.51 126.02 2poa n ALA 28 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.34 2poa n ALA 28 Cb 0.42 0.42 0.31 0.00 0.00 0.00 0.00 19.45 20.61 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 -0.16 1.25 0.00 0.00 1.35 -1.74 -3.31 112.91 110.31 2poa h THR 29 Ca -0.10 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.20 2poa h THR 29 Cb 1.02 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2poa h THR 29 CO -0.06 0.44 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.52 2poa h ARG 30 N 0.00 0.00 0.01 4.72 1.12 -1.33 -2.47 114.38 116.43 2poa h ARG 30 Ca -0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.55 2poa h ARG 30 Cb 0.82 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.73 2poa h ARG 30 CO 0.06 0.03 -1.91 0.00 -3.11 0.00 0.00 179.97 175.04 2poa n GLN 31 N -3.28 0.66 -0.01 0.20 10.64 -1.25 -4.14 117.38 120.20 2poa n GLN 31 Ca -0.02 0.23 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 2poa n GLN 31 Cb 0.17 -1.72 0.31 0.00 -0.86 0.00 0.00 30.24 28.14 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2poa h ILE 32 N 0.01 1.19 -0.54 -0.39 5.03 -1.62 -2.85 117.51 118.34 2poa h ILE 32 Ca -0.37 -0.69 0.07 0.00 -0.12 0.00 0.00 64.86 63.75 2poa h ILE 32 Cb 2.06 0.84 -0.10 0.00 -3.03 0.00 0.00 36.82 36.60 2poa h ILE 32 CO 0.06 0.24 -0.52 1.23 -0.68 0.00 0.00 178.15 178.49 2poa h GLY 33 N 0.81 -0.78 -2.94 5.37 0.00 -1.63 0.67 103.07 104.57 2poa h GLY 33 Ca 0.12 0.67 -0.19 0.00 0.00 0.00 0.00 47.33 47.94 2poa h GLY 33 CO 0.00 -0.12 0.24 1.16 0.00 0.00 0.00 176.54 177.82 2poa n ASN 34 N -5.37 4.53 0.12 0.19 6.94 -1.12 -4.49 115.26 116.06 2poa n ASN 34 Ca -0.01 -2.66 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 2poa n ASN 34 Cb 0.34 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 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 0.32 0.00 -3.67 5.53 -1.04 -1.06 -5.05 114.28 109.31 2poa n THR 35 Ca 0.19 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.81 2poa n THR 35 Cb 0.73 -0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.97 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 -1.59 4.14 -0.03 12.58 1.01 0.20 -5.05 120.40 131.66 2poa s VAL 36 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2poa s VAL 36 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2poa s VAL 36 CO 0.00 -0.28 0.13 1.07 0.00 0.00 0.00 175.10 176.02 2poa n THR 37 N 4.89 0.00 -2.14 3.92 5.66 -1.26 -4.64 114.28 120.71 2poa n THR 37 Ca -0.12 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.58 2poa n THR 37 Cb 0.45 -0.03 -0.04 0.00 -1.55 0.00 0.00 70.33 69.15 2poa n THR 37 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2poa s PRO 38 N 0.37 2.74 -1.31 1.09 0.04 -1.26 -4.55 135.00 132.12 2poa s PRO 38 Ca 0.07 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.66 2poa s PRO 38 Cb -0.08 -5.00 0.10 0.00 0.04 0.00 0.00 34.50 29.56 2poa s PRO 38 CO 0.04 -3.08 1.79 2.41 0.04 0.00 0.00 177.00 178.20 2poa n THR 39 N 7.60 3.95 -2.62 1.26 -1.04 -1.24 -4.92 114.28 117.28 2poa n THR 39 Ca 0.35 -4.05 -0.41 0.00 -2.04 0.00 0.00 64.05 57.90 2poa n THR 39 Cb 0.48 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.53 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 3.04 4.05 -0.74 12.58 -7.23 -1.25 -2.23 120.40 128.62 2poa s VAL 40 Ca 0.49 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.57 2poa s VAL 40 Cb 0.05 -5.02 0.15 0.00 0.56 0.00 0.00 36.38 32.12 2poa s VAL 40 CO 0.02 -1.88 0.79 -0.89 -0.31 0.00 0.00 175.10 172.84 2poa s THR 41 N 4.61 5.11 -0.42 5.32 2.01 -1.26 -4.19 115.64 126.82 2poa s THR 41 Ca 0.44 -1.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.56 2poa s THR 41 Cb -0.01 -4.53 0.02 0.00 0.01 0.00 0.00 72.50 67.99 2poa s THR 41 CO -0.09 -1.15 0.66 -0.36 -0.69 0.00 0.00 174.62 172.99 2poa s PHE 42 N 1.72 3.07 -0.04 4.92 0.08 0.01 -0.80 117.98 126.93 2poa s PHE 42 Ca 0.17 0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 2poa s PHE 42 Cb -0.16 -3.35 0.03 0.00 -0.57 0.00 0.00 43.02 38.97 2poa s PHE 42 CO -0.03 -0.83 0.09 0.95 -0.10 0.00 0.00 175.22 175.31 2poa s THR 43 N 2.87 -0.04 -0.63 0.64 -4.23 -0.58 -0.76 115.64 112.91 2poa s THR 43 Ca 0.24 0.13 -0.27 0.00 -1.18 0.00 0.00 61.69 60.62 2poa s THR 43 Cb -0.14 -0.16 0.04 0.00 1.34 0.00 0.00 72.50 73.58 2poa s THR 43 CO 0.19 0.05 1.15 0.00 -0.54 0.00 0.00 174.62 175.47 2poa s MET 44 N 0.78 3.35 -0.92 3.99 0.23 -1.26 0.17 119.30 125.64 2poa s MET 44 Ca -0.06 -0.08 -0.19 0.00 -1.03 0.00 0.00 55.69 54.33 2poa s MET 44 Cb -0.08 -4.09 0.13 0.00 -1.53 0.00 0.00 34.83 29.26 2poa s MET 44 CO -0.03 -1.79 1.12 0.34 -2.03 0.00 0.00 175.02 172.62 2poa s ASP 45 N 3.22 6.62 0.00 -1.18 2.15 -0.02 -4.66 116.67 122.80 2poa s ASP 45 Ca 0.36 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.32 2poa s ASP 45 Cb -0.09 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2poa s ASP 45 CO 0.20 -1.06 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 2poa n GLY 46 N 5.47 2.36 1.04 2.66 0.00 -1.26 -3.81 105.19 111.65 2poa n GLY 46 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2poa n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2poa n ASP 47 N 4.66 0.68 -4.93 1.61 8.00 -1.26 -5.13 116.55 120.17 2poa n ASP 47 Ca 0.00 0.09 -0.25 0.00 0.71 0.00 0.00 54.79 55.34 2poa n ASP 47 Cb 0.00 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 2poa n ASP 47 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2poa s LYS 48 N -2.00 3.51 -0.01 -1.24 -2.85 -1.25 -4.88 119.74 111.02 2poa s LYS 48 Ca 0.00 -0.26 -0.25 0.00 -1.00 0.00 0.00 55.97 54.46 2poa s LYS 48 Cb 0.00 -2.66 -0.04 0.00 -2.06 0.00 0.00 37.83 33.07 2poa s LYS 48 CO 0.00 0.16 0.75 0.00 0.10 0.00 0.00 175.35 176.36 2poa s MET 49 N -4.16 4.47 -0.12 1.78 0.23 -0.51 -0.84 119.30 120.14 2poa s MET 49 Ca 0.41 1.01 0.00 0.00 -1.03 0.00 0.00 55.69 56.08 2poa s MET 49 Cb -0.10 -3.41 0.02 0.00 -1.53 0.00 0.00 34.83 29.82 2poa s MET 49 CO 0.35 0.16 -0.11 0.99 -2.03 0.00 0.00 175.02 174.38 2poa s THR 50 N 0.40 1.31 -0.52 3.16 2.01 0.13 -1.77 115.64 120.35 2poa s THR 50 Ca 0.39 -0.48 -0.27 0.00 0.31 0.00 0.00 61.69 61.64 2poa s THR 50 Cb -0.19 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 71.09 2poa s THR 50 CO 0.21 0.41 1.08 -0.04 -0.69 0.00 0.00 174.62 175.60 2poa s MET 51 N 1.48 3.56 -1.28 4.92 -1.94 -0.68 -1.53 119.30 123.83 2poa s MET 51 Ca 0.03 0.27 -0.06 0.00 -1.71 0.00 0.00 55.69 54.22 2poa s MET 51 Cb -0.13 -3.96 0.15 0.00 2.01 0.00 0.00 34.83 32.90 2poa s MET 51 CO -0.08 -1.45 2.22 1.28 -0.01 0.00 0.00 175.02 176.97 2poa n LEU 52 N 7.83 7.70 -4.71 -0.03 4.77 0.02 -1.51 117.00 131.07 2poa n LEU 52 Ca 0.08 -4.90 -0.42 0.00 -0.03 0.00 0.00 56.01 50.74 2poa n LEU 52 Cb 0.49 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2poa n LEU 52 CO 0.69 1.93 1.30 -0.89 -1.33 0.00 0.00 177.39 179.09 2poa s THR 53 N -1.22 2.64 -0.49 -5.08 2.01 -0.59 -4.30 115.64 108.61 2poa s THR 53 Ca 0.49 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.88 2poa s THR 53 Cb 0.16 -3.23 0.16 0.00 0.01 0.00 0.00 72.50 69.60 2poa s THR 53 CO -0.07 0.02 0.34 -0.70 -0.69 0.00 0.00 174.62 173.51 2poa s GLU 54 N 1.71 1.38 0.24 4.92 -6.30 -0.95 -0.09 118.70 119.62 2poa s GLU 54 Ca 0.73 -2.33 0.00 0.00 -2.50 0.00 0.00 54.97 50.88 2poa s GLU 54 Cb -0.44 -2.19 0.00 0.00 0.00 0.00 0.00 34.13 31.51 2poa s GLU 54 CO 0.32 -1.28 0.04 0.43 0.02 0.00 0.00 175.26 174.79 2poa n SER 55 N 2.94 2.49 0.19 -1.70 7.64 -0.80 -3.68 113.62 120.69 2poa n SER 55 Ca 0.19 -2.02 -0.13 0.00 1.01 0.00 0.00 58.87 57.93 2poa n SER 55 Cb 0.40 0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 2poa n SER 55 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2poa h THR 56 N 1.01 0.52 0.12 0.44 2.02 -1.89 -3.33 112.91 111.80 2poa h THR 56 Ca -0.19 -0.59 -0.33 0.00 0.77 0.00 0.00 66.41 66.07 2poa h THR 56 Cb 0.60 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2poa h THR 56 CO 0.32 0.09 -1.75 -0.26 0.37 0.00 0.00 175.52 174.29 2poa h PHE 57 N -0.89 0.44 -3.21 3.16 0.04 -1.98 -3.40 116.94 111.10 2poa h PHE 57 Ca -0.05 -0.32 -0.79 0.00 2.80 0.00 0.00 57.97 59.61 2poa h PHE 57 Cb 0.54 -0.02 -0.29 0.00 2.20 0.00 0.00 35.95 38.38 2poa h PHE 57 CO 0.02 1.69 0.51 1.63 -0.60 0.00 0.00 178.31 181.56 2poa n LYS 58 N -3.72 3.83 -3.25 1.51 5.02 -1.26 -4.63 118.16 115.66 2poa n LYS 58 Ca -0.30 -4.51 -0.45 0.00 -2.02 0.00 0.00 58.31 51.03 2poa n LYS 58 Cb 0.97 -2.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 2poa n LYS 58 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2poa s ASN 59 N -0.28 7.05 -0.15 4.39 3.84 -1.25 -1.91 114.94 126.63 2poa s ASN 59 Ca 0.31 -3.10 -0.24 0.00 0.21 0.00 0.00 52.86 50.05 2poa s ASN 59 Cb -0.02 -2.25 0.06 0.00 -0.55 0.00 0.00 41.25 38.48 2poa s ASN 59 CO -0.00 -0.50 0.60 -1.48 -2.79 0.00 0.00 177.10 172.92 2poa s LEU 60 N -0.11 -0.30 -0.05 3.21 0.05 0.87 -4.95 118.68 117.40 2poa s LEU 60 Ca 0.28 0.94 -0.01 0.00 0.05 0.00 0.00 54.13 55.39 2poa s LEU 60 Cb -0.09 2.14 -0.04 0.00 -2.05 0.00 0.00 46.19 46.16 2poa s LEU 60 CO -0.07 -0.36 0.05 -0.94 -0.55 0.00 0.00 176.35 174.47 2poa s SER 61 N -0.34 5.52 -0.05 1.48 1.04 -1.26 -1.55 113.70 118.54 2poa s SER 61 Ca -0.05 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2poa s SER 61 Cb -0.03 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.53 2poa s SER 61 CO 0.04 0.33 -0.03 0.68 0.98 0.00 0.00 173.24 175.23 2poa s VAL 62 N -1.05 0.51 -0.11 5.02 -7.23 -0.57 -4.99 120.40 111.98 2poa s VAL 62 Ca 0.18 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.24 2poa s VAL 62 Cb -0.12 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2poa s VAL 62 CO 0.08 0.24 0.07 -0.89 -0.31 0.00 0.00 175.10 174.29 2poa s THR 63 N 1.22 4.92 0.18 5.32 2.01 -1.26 -1.69 115.64 126.33 2poa s THR 63 Ca -0.06 -0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 2poa s THR 63 Cb -0.14 -3.12 0.06 0.00 0.01 0.00 0.00 72.50 69.31 2poa s THR 63 CO -0.02 0.59 0.92 0.72 -0.69 0.00 0.00 174.62 176.15 2poa s PHE 64 N -0.77 -0.13 0.30 4.92 -0.12 -0.73 -4.97 117.98 116.48 2poa s PHE 64 Ca 0.13 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 2poa s PHE 64 Cb -0.12 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 2poa s PHE 64 CO 0.03 -0.91 0.09 -1.59 -0.05 0.00 0.00 175.22 172.79 2poa s LYS 65 N -3.36 1.55 -1.03 1.99 -2.85 -1.26 -1.43 119.74 113.35 2poa s LYS 65 Ca 0.12 -1.86 -0.21 0.00 -1.00 0.00 0.00 55.97 53.02 2poa s LYS 65 Cb -0.02 -0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 35.14 2poa s LYS 65 CO 0.03 -0.28 1.94 1.97 0.10 0.00 0.00 175.35 179.11 2poa n PHE 66 N -0.59 2.60 0.00 1.78 -1.74 -1.26 -3.08 117.46 115.17 2poa n PHE 66 Ca -0.01 -1.88 0.00 0.00 -0.56 0.00 0.00 57.45 55.00 2poa n PHE 66 Cb 0.66 -2.20 0.00 0.00 1.52 0.00 0.00 39.48 39.46 2poa n PHE 66 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2poa n GLY 67 N 5.04 0.34 1.41 4.97 0.00 -1.23 -4.91 105.19 110.81 2poa n GLY 67 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2poa n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2poa n GLU 68 N 0.00 0.00 -1.75 1.61 -0.58 -1.18 -5.12 120.64 113.63 2poa n GLU 68 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2poa n GLU 68 Cb 0.00 -0.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.57 2poa n GLU 68 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2poa n GLU 69 N -2.86 -0.64 -2.29 3.49 2.13 -1.26 -5.03 120.64 114.18 2poa n GLU 69 Ca 0.00 0.92 -0.30 0.00 0.66 0.00 0.00 57.16 58.44 2poa n GLU 69 Cb 0.27 -2.00 -0.01 0.00 0.27 0.00 0.00 31.44 29.98 2poa n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2poa s PHE 70 N -0.59 3.56 -0.03 4.31 -0.12 -0.79 -4.78 117.98 119.54 2poa s PHE 70 Ca 0.01 1.16 0.06 0.00 -0.05 0.00 0.00 56.93 58.11 2poa s PHE 70 Cb -0.00 -2.58 -0.01 0.00 -0.63 0.00 0.00 43.02 39.79 2poa s PHE 70 CO 0.16 -0.45 -0.21 0.16 -0.05 0.00 0.00 175.22 174.83 2poa s ASP 71 N -3.85 2.52 -0.15 1.98 -4.77 -1.26 -0.45 116.67 110.69 2poa s ASP 71 Ca 0.53 -0.40 -0.04 0.00 -3.30 0.00 0.00 52.55 49.34 2poa s ASP 71 Cb -0.11 -0.51 -0.03 0.00 -1.09 0.00 0.00 42.92 41.18 2poa s ASP 71 CO 0.45 0.22 -0.02 -1.83 0.70 0.00 0.00 175.17 174.69 2poa s GLU 72 N -0.25 3.63 -0.24 2.11 -1.05 -0.47 -4.93 118.70 117.51 2poa s GLU 72 Ca 0.02 -0.49 -0.19 0.00 -0.15 0.00 0.00 54.97 54.16 2poa s GLU 72 Cb -0.11 -2.93 -0.03 0.00 -0.44 0.00 0.00 34.13 30.63 2poa s GLU 72 CO 0.01 0.30 0.55 0.21 0.95 0.00 0.00 175.26 177.27 2poa s LYS 73 N 0.22 4.13 0.14 -4.83 2.36 -1.26 -1.29 119.74 119.21 2poa s LYS 73 Ca -0.02 0.42 0.03 0.00 -2.55 0.00 0.00 55.97 53.85 2poa s LYS 73 Cb -0.14 -3.62 -0.04 0.00 -1.05 0.00 0.00 37.83 32.99 2poa s LYS 73 CO 0.03 -0.29 0.19 0.95 1.55 0.00 0.00 175.35 177.78 2poa s THR 74 N 2.10 4.88 0.48 3.43 -4.23 -0.16 -4.95 115.64 117.19 2poa s THR 74 Ca 0.24 -0.85 0.37 0.00 -1.18 0.00 0.00 61.69 60.27 2poa s THR 74 Cb -0.16 -3.48 0.39 0.00 1.34 0.00 0.00 72.50 70.60 2poa s THR 74 CO 0.09 -0.06 2.21 -1.28 -0.54 0.00 0.00 174.62 175.04 2poa h SER 75 N 2.44 0.00 0.44 3.99 0.87 -1.90 -0.96 113.55 118.43 2poa h SER 75 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2poa h SER 75 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2poa h SER 75 CO 0.66 0.03 0.00 -0.78 -0.53 0.00 0.00 176.83 176.21 2poa h ASP 76 N 0.00 0.00 -0.16 6.23 3.58 -1.95 -3.48 116.42 120.63 2poa h ASP 76 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2poa h ASP 76 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2poa h ASP 76 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2poa n GLY 77 N -0.60 0.53 3.09 -0.78 0.00 -0.37 -4.85 105.19 102.21 2poa n GLY 77 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.38 0.25 -0.26 1.61 1.81 -1.24 -4.96 118.95 116.55 2poa s ARG 78 Ca 0.00 0.80 -0.29 0.00 -1.72 0.00 0.00 55.73 54.52 2poa s ARG 78 Cb 0.00 -0.02 -0.01 0.00 -0.45 0.00 0.00 34.95 34.48 2poa s ARG 78 CO 0.00 -0.35 1.32 1.21 -0.68 0.00 0.00 175.30 176.80 2poa s ASN 79 N 2.52 6.72 -0.07 0.23 3.84 -1.26 -0.99 114.94 125.92 2poa s ASN 79 Ca 0.02 1.37 0.04 0.00 0.21 0.00 0.00 52.86 54.50 2poa s ASN 79 Cb -0.13 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 2poa s ASN 79 CO -0.12 -1.01 -0.19 0.68 -2.79 0.00 0.00 177.10 173.68 2poa s VAL 80 N 4.20 1.61 0.53 -5.21 -7.23 -0.41 -4.79 120.40 109.11 2poa s VAL 80 Ca 0.57 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 2poa s VAL 80 Cb -0.19 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.36 2poa s VAL 80 CO 0.21 0.46 0.78 -0.75 -0.31 0.00 0.00 175.10 175.49 2poa s LYS 81 N 0.31 2.77 -0.30 4.82 2.47 -0.54 -1.36 119.74 127.90 2poa s LYS 81 Ca -0.12 -0.49 -0.01 0.00 -1.56 0.00 0.00 55.97 53.79 2poa s LYS 81 Cb -0.15 -2.45 0.19 0.00 -1.46 0.00 0.00 37.83 33.96 2poa s LYS 81 CO 0.05 -0.59 0.64 -1.12 0.16 0.00 0.00 175.35 174.48 2poa s SER 82 N -4.33 -1.34 -0.43 1.43 0.01 0.40 -0.10 113.70 109.34 2poa s SER 82 Ca 0.54 0.76 -0.21 0.00 1.31 0.00 0.00 55.95 58.35 2poa s SER 82 Cb -0.10 2.09 0.02 0.00 0.21 0.00 0.00 66.02 68.24 2poa s SER 82 CO 0.40 -0.25 0.64 0.54 0.41 0.00 0.00 173.24 174.98 2poa s VAL 83 N 2.87 4.83 -0.31 3.43 0.11 -0.74 -1.89 120.40 128.69 2poa s VAL 83 Ca 0.18 0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 59.21 2poa s VAL 83 Cb -0.14 -4.19 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 2poa s VAL 83 CO -0.21 -0.56 0.63 -0.69 -3.33 0.00 0.00 175.10 170.94 2poa s VAL 84 N 2.81 4.93 -0.23 2.04 1.01 -1.26 -2.11 120.40 127.59 2poa s VAL 84 Ca 0.23 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 2poa s VAL 84 Cb -0.14 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2poa s VAL 84 CO 0.18 -0.17 -0.09 -0.70 0.00 0.00 0.00 175.10 174.33 2poa s GLU 85 N 2.62 2.90 -0.32 2.72 -6.30 -1.08 -3.47 118.70 115.76 2poa s GLU 85 Ca 0.25 -0.93 -0.12 0.00 -2.50 0.00 0.00 54.97 51.67 2poa s GLU 85 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 34.13 31.06 2poa s GLU 85 CO 0.12 -0.35 0.22 0.21 0.02 0.00 0.00 175.26 175.48 2poa s LYS 86 N 1.32 3.60 0.00 4.30 2.36 -1.26 0.06 119.74 130.12 2poa s LYS 86 Ca 0.01 -0.57 0.00 0.00 -2.55 0.00 0.00 55.97 52.86 2poa s LYS 86 Cb -0.16 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.88 2poa s LYS 86 CO -0.06 -0.37 0.00 -1.71 1.55 0.00 0.00 175.35 174.76 2poa n ASN 87 N 5.08 0.00 -4.65 1.43 5.15 0.73 -4.99 115.26 118.01 2poa n ASN 87 Ca -0.13 0.33 -0.32 0.00 -0.60 0.00 0.00 54.58 53.85 2poa n ASN 87 Cb 0.50 -0.49 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 2poa n ASN 87 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2poa n SER 88 N -2.15 3.37 0.31 1.20 7.64 -1.08 -4.91 113.62 118.00 2poa n SER 88 Ca 0.00 -3.19 0.13 0.00 1.01 0.00 0.00 58.87 56.82 2poa n SER 88 Cb 0.00 0.34 0.70 0.00 -1.01 0.00 0.00 64.21 64.23 2poa n SER 88 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2poa h GLU 89 N 0.00 0.00 -0.67 1.43 5.08 -1.98 -3.07 114.58 115.38 2poa h GLU 89 Ca -0.41 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.62 2poa h GLU 89 Cb 1.26 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.11 2poa h GLU 89 CO 0.69 0.00 -1.09 -1.13 -1.00 0.00 0.00 179.01 176.48 2poa n SER 90 N -2.73 2.08 -3.18 1.42 3.41 -1.26 -4.08 113.62 109.27 2poa n SER 90 Ca -0.02 -2.49 0.02 0.00 -0.26 0.00 0.00 58.87 56.12 2poa n SER 90 Cb 0.41 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 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 -3.59 0.53 0.23 4.33 2.47 -1.16 -4.18 119.74 118.37 2poa s LYS 91 Ca 0.31 0.63 0.10 0.00 -1.56 0.00 0.00 55.97 55.45 2poa s LYS 91 Cb 0.37 0.23 -0.04 0.00 -1.46 0.00 0.00 37.83 36.93 2poa s LYS 91 CO -0.02 -0.90 -0.12 -1.17 0.16 0.00 0.00 175.35 173.30 2poa s LEU 92 N 2.79 2.84 -0.40 5.43 0.20 -0.27 -0.19 118.68 129.08 2poa s LEU 92 Ca 0.13 -0.76 0.05 0.00 0.69 0.00 0.00 54.13 54.24 2poa s LEU 92 Cb -0.12 -1.45 0.17 0.00 -0.43 0.00 0.00 46.19 44.36 2poa s LEU 92 CO -0.24 0.06 0.49 -0.89 -0.29 0.00 0.00 176.35 175.48 2poa s THR 93 N -2.07 -0.57 -0.99 3.68 2.01 0.11 0.29 115.64 118.09 2poa s THR 93 Ca 0.27 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 2poa s THR 93 Cb -0.07 -0.42 0.08 0.00 0.01 0.00 0.00 72.50 72.10 2poa s THR 93 CO 0.15 -0.38 2.57 0.00 -0.69 0.00 0.00 174.62 176.28 2poa n GLN 94 N 4.11 3.74 -1.39 4.92 -0.00 -1.26 -2.65 117.38 124.85 2poa n GLN 94 Ca 0.13 -2.97 -0.55 0.00 -0.00 0.00 0.00 57.00 53.61 2poa n GLN 94 Cb 0.50 -2.45 -0.09 0.00 -0.00 0.00 0.00 30.24 28.20 2poa n GLN 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2poa n THR 95 N 1.49 0.12 -2.80 -0.39 -1.04 -0.90 -3.84 114.28 106.94 2poa n THR 95 Ca 0.58 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 62.02 2poa n THR 95 Cb 0.37 -1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 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 5.91 4.29 -0.73 -2.82 -0.21 -1.26 -1.80 119.66 123.04 2poa s GLN 96 Ca 1.13 1.16 -0.09 0.00 0.02 0.00 0.00 55.36 57.57 2poa s GLN 96 Cb -1.12 -3.60 0.19 0.00 1.00 0.00 0.00 33.01 29.48 2poa s GLN 96 CO 0.57 -0.44 0.62 0.08 -2.12 0.00 0.00 175.29 173.99 2poa s VAL 97 N 2.54 4.77 0.54 1.09 1.01 0.86 -1.12 120.40 130.09 2poa s VAL 97 Ca 0.41 -2.66 0.05 0.00 0.00 0.00 0.00 61.98 59.78 2poa s VAL 97 Cb -0.16 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.27 2poa s VAL 97 CO 0.11 -0.96 0.74 -1.81 0.00 0.00 0.00 175.10 173.18 2poa s ASP 98 N 1.55 5.22 0.08 3.32 1.11 -1.26 -1.47 116.67 125.22 2poa s ASP 98 Ca 0.17 -0.41 0.05 0.00 0.18 0.00 0.00 52.55 52.55 2poa s ASP 98 Cb -0.15 -0.38 0.29 0.00 1.07 0.00 0.00 42.92 43.74 2poa s ASP 98 CO -0.06 -1.17 1.13 -0.81 1.18 0.00 0.00 175.17 175.43 2poa n PRO 99 N -2.23 0.03 -0.00 8.23 -0.04 -1.26 -1.39 135.00 138.34 2poa n PRO 99 Ca 0.11 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 64.14 2poa n PRO 99 Cb 0.60 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.66 1.49 -1.54 0.54 0.00 -1.26 -5.13 118.16 110.59 2poa n LYS 100 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.25 2poa n LYS 100 Cb 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 33.83 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2poa n ASN 101 N -1.61 -6.00 -4.76 3.14 3.02 -0.49 -5.03 115.26 103.54 2poa n ASN 101 Ca 0.01 0.88 -0.39 0.00 -0.03 0.00 0.00 54.58 55.05 2poa n ASN 101 Cb 0.29 -3.28 -0.06 0.00 -0.61 0.00 0.00 39.78 36.13 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 -0.31 4.99 0.45 3.41 2.01 -0.27 -4.85 115.64 121.07 2poa s THR 102 Ca 0.00 1.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.95 2poa s THR 102 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 2poa s THR 102 CO 0.00 0.40 1.02 -0.89 -0.69 0.00 0.00 174.62 174.46 2poa s THR 103 N -0.01 3.88 -0.38 -0.82 2.01 -0.88 -4.14 115.64 115.30 2poa s THR 103 Ca 0.30 1.24 -0.15 0.00 0.31 0.00 0.00 61.69 63.40 2poa s THR 103 Cb -0.17 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 2poa s THR 103 CO 0.15 -0.18 1.10 1.33 -0.69 0.00 0.00 174.62 176.33 2poa n VAL 104 N -0.66 0.00 -2.70 3.82 0.24 -1.26 -4.15 118.33 113.61 2poa n VAL 104 Ca 0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 2poa n VAL 104 Cb 0.52 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 3.11 4.39 -1.70 1.34 -0.00 -1.26 -4.55 119.36 120.69 2poa n ILE 105 Ca 0.27 -4.71 -0.42 0.00 -0.00 0.00 0.00 62.75 57.89 2poa n ILE 105 Cb 0.01 -2.40 -0.01 0.00 -0.00 0.00 0.00 39.64 37.24 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 3.68 1.93 -3.86 7.28 0.24 -1.23 -4.22 118.33 122.15 2poa n VAL 106 Ca 0.37 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 2poa n VAL 106 Cb 0.39 -1.61 -0.15 0.00 -1.47 0.00 0.00 33.84 31.00 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 -1.80 1.07 0.54 7.34 0.52 0.14 -2.21 118.95 124.56 2poa s ARG 107 Ca 0.56 -1.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2poa s ARG 107 Cb -0.56 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.43 2poa s ARG 107 CO 0.62 -0.94 0.34 -1.91 0.02 0.00 0.00 175.30 173.42 2poa n GLU 108 N 4.59 0.69 -3.66 3.54 0.00 -0.35 -1.11 120.64 124.34 2poa n GLU 108 Ca -0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 57.16 53.57 2poa n GLU 108 Cb 0.42 0.48 -0.10 0.00 0.00 0.00 0.00 31.44 32.24 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2poa s VAL 109 N -2.76 -0.58 -0.87 6.31 0.11 -1.26 -1.32 120.40 120.03 2poa s VAL 109 Ca 0.26 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.46 2poa s VAL 109 Cb -0.02 -0.63 0.23 0.00 -1.53 0.00 0.00 36.38 34.43 2poa s VAL 109 CO 0.16 0.08 2.22 -0.67 -3.33 0.00 0.00 175.10 173.56 2poa n ASP 110 N 5.33 7.32 -2.00 3.54 -0.08 -0.61 -4.79 116.55 125.25 2poa n ASP 110 Ca -0.09 -3.54 -0.01 0.00 -1.51 0.00 0.00 54.79 49.64 2poa n ASP 110 Cb 0.50 -1.18 0.00 0.00 2.34 0.00 0.00 41.12 42.78 2poa n ASP 110 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2poa n GLY 111 N 0.28 -0.74 2.80 0.27 0.00 -1.26 -4.23 105.19 102.31 2poa n GLY 111 Ca 0.52 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.90 -5.63 -4.02 1.61 8.00 -1.26 -4.94 116.55 109.41 2poa n ASP 112 Ca 0.02 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.36 2poa n ASP 112 Cb 0.35 -3.73 -0.11 0.00 -0.02 0.00 0.00 41.12 37.61 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 -1.65 3.40 -0.58 -3.53 -1.32 -1.26 -3.47 115.64 107.22 2poa s THR 113 Ca 0.00 -3.54 -0.26 0.00 -1.21 0.00 0.00 61.69 56.67 2poa s THR 113 Cb 0.00 -3.22 -0.05 0.00 -1.51 0.00 0.00 72.50 67.72 2poa s THR 113 CO 0.00 -0.93 2.18 -0.32 -2.21 0.00 0.00 174.62 173.33 2poa s MET 114 N -0.71 2.28 -0.70 7.08 0.00 0.21 -1.57 119.30 125.88 2poa s MET 114 Ca 0.21 0.94 -0.15 0.00 0.00 0.00 0.00 55.69 56.68 2poa s MET 114 Cb -0.15 -4.55 0.17 0.00 0.00 0.00 0.00 34.83 30.29 2poa s MET 114 CO -0.07 -3.17 0.68 0.21 0.00 0.00 0.00 175.02 172.66 2poa s LYS 115 N 7.78 3.32 -0.34 4.11 2.20 -0.44 -1.09 119.74 135.29 2poa s LYS 115 Ca 0.84 -2.04 -0.01 0.00 -0.36 0.00 0.00 55.97 54.39 2poa s LYS 115 Cb -0.14 -4.39 0.08 0.00 -1.51 0.00 0.00 37.83 31.86 2poa s LYS 115 CO 0.21 -1.35 0.07 -0.08 -0.36 0.00 0.00 175.35 173.84 2poa s THR 116 N 1.05 2.98 0.25 3.43 -1.32 0.18 -1.21 115.64 121.00 2poa s THR 116 Ca 0.12 -1.75 -0.31 0.00 -1.21 0.00 0.00 61.69 58.54 2poa s THR 116 Cb -0.19 -2.89 -0.12 0.00 -1.51 0.00 0.00 72.50 67.79 2poa s THR 116 CO -0.03 -0.37 1.62 0.41 -2.21 0.00 0.00 174.62 174.04 2poa n THR 117 N 4.56 0.56 -3.80 5.08 -1.04 -0.94 -1.65 114.28 117.05 2poa n THR 117 Ca -0.07 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.05 61.43 2poa n THR 117 Cb 0.42 -1.88 -0.12 0.00 -1.82 0.00 0.00 70.33 66.93 2poa n THR 117 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2poa s VAL 118 N 0.49 3.35 0.16 12.58 0.11 -0.19 -3.51 120.40 133.39 2poa s VAL 118 Ca 0.70 -1.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2poa s VAL 118 Cb -0.53 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 2poa s VAL 118 CO 0.42 -0.39 0.09 0.28 -3.33 0.00 0.00 175.10 172.17 2poa s THR 119 N 1.25 4.24 -0.43 5.04 -1.32 -1.26 -0.43 115.64 122.73 2poa s THR 119 Ca 0.02 -1.17 0.05 0.00 -1.21 0.00 0.00 61.69 59.38 2poa s THR 119 Cb -0.21 -3.15 0.18 0.00 -1.51 0.00 0.00 72.50 67.81 2poa s THR 119 CO -0.01 -0.09 0.43 0.52 -2.21 0.00 0.00 174.62 173.26 2poa n VAL 120 N -0.21 -0.96 0.00 5.08 0.31 -1.26 -2.08 118.33 119.21 2poa n VAL 120 Ca -0.09 -3.00 0.00 0.00 -0.01 0.00 0.00 64.34 61.25 2poa n VAL 120 Cb 0.55 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 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 2.74 0.88 1.65 2.92 0.00 -1.26 -4.37 105.19 107.76 2poa n GLY 121 Ca 0.27 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 1.90 -0.69 0.10 1.61 5.68 -1.26 -5.01 116.55 118.88 2poa n ASP 122 Ca 0.00 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 2poa n ASP 122 Cb 0.00 0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.41 0.66 -3.02 2.12 0.31 -1.26 -5.12 118.33 111.62 2poa n VAL 123 Ca -0.18 0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.29 2poa n VAL 123 Cb 0.82 -1.08 0.01 0.00 -0.91 0.00 0.00 33.84 32.67 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 -3.50 -9.95 -3.06 2.52 -1.04 -1.23 -4.95 114.28 93.07 2poa n THR 124 Ca 0.00 0.36 -0.44 0.00 -2.04 0.00 0.00 64.05 61.93 2poa n THR 124 Cb 0.00 -6.73 -0.04 0.00 -1.82 0.00 0.00 70.33 61.74 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 -2.71 3.42 -0.98 2.41 0.00 0.43 -4.69 121.76 119.64 2poa s ALA 125 Ca 0.15 -2.36 -0.24 0.00 0.00 0.00 0.00 51.96 49.52 2poa s ALA 125 Cb -0.04 -3.67 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 2poa s ALA 125 CO 0.78 -2.52 1.71 -1.50 0.00 0.00 0.00 175.76 174.23 2poa s ILE 126 N 2.68 3.69 -0.50 0.00 1.10 -1.26 -1.02 121.20 125.89 2poa s ILE 126 Ca 0.17 -0.61 -0.27 0.00 -0.51 0.00 0.00 60.65 59.43 2poa s ILE 126 Cb -0.19 -4.54 0.03 0.00 0.15 0.00 0.00 42.46 37.91 2poa s ILE 126 CO 0.03 -1.44 1.04 -0.13 -2.11 0.00 0.00 174.94 172.33 2poa s ARG 127 N 5.97 3.56 -0.12 3.50 0.52 -0.66 -4.27 118.95 127.47 2poa s ARG 127 Ca 0.58 0.25 -0.20 0.00 -0.52 0.00 0.00 55.73 55.85 2poa s ARG 127 Cb -0.03 -3.95 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 2poa s ARG 127 CO -0.04 -1.38 0.56 -0.80 0.02 0.00 0.00 175.30 173.66 2poa s ASN 128 N 2.51 6.76 0.14 0.23 0.01 -1.23 -0.64 114.94 122.72 2poa s ASN 128 Ca 0.41 0.91 0.07 0.00 -0.71 0.00 0.00 52.86 53.54 2poa s ASN 128 Cb -0.09 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 2poa s ASN 128 CO 0.27 -0.07 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.31 2poa s TYR 129 N 0.87 1.63 -0.10 2.20 2.02 -0.25 -0.32 117.35 123.40 2poa s TYR 129 Ca 0.29 -0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 56.33 2poa s TYR 129 Cb -0.16 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 2poa s TYR 129 CO 0.12 0.23 0.41 0.15 -1.57 0.00 0.00 175.55 174.90 2poa s LYS 130 N -2.64 4.20 -0.49 -0.62 3.01 -0.03 -0.62 119.74 122.55 2poa s LYS 130 Ca 0.12 0.35 -0.29 0.00 -1.01 0.00 0.00 55.97 55.14 2poa s LYS 130 Cb -0.06 -3.37 0.03 0.00 -1.01 0.00 0.00 37.83 33.42 2poa s LYS 130 CO 0.05 0.33 1.17 0.50 0.51 0.00 0.00 175.35 177.91 2poa s ARG 131 N 0.10 3.68 0.02 1.68 3.52 -1.23 -1.95 118.95 124.78 2poa s ARG 131 Ca 0.23 0.55 0.08 0.00 -0.13 0.00 0.00 55.73 56.46 2poa s ARG 131 Cb -0.15 -3.93 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 2poa s ARG 131 CO 0.10 -1.44 -0.24 -0.51 -0.81 0.00 0.00 175.30 172.40 2poa s LEU 132 N 4.61 2.12 0.00 -0.88 1.43 0.02 -5.00 118.68 120.97 2poa s LEU 132 Ca 0.48 -0.52 0.15 0.00 -1.03 0.00 0.00 54.13 53.22 2poa s LEU 132 Cb -0.08 -1.19 0.91 0.00 0.03 0.00 0.00 46.19 45.87 2poa s LEU 132 CO 0.31 0.25 1.32 -1.20 0.23 0.00 0.00 176.35 177.26