#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 4.40 0.00 7.83 3.41 -1.26 -2.32 113.62 125.68 2poa n SER 2 Ca 0.00 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 2poa n SER 2 Cb 0.00 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.36 2poa n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2poa n SER 3 N 5.31 0.00 -3.01 4.04 2.88 -1.26 -4.95 113.62 116.63 2poa n SER 3 Ca 0.47 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.61 2poa n SER 3 Cb 0.38 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 2.96 -2.95 0.66 1.16 -0.98 -5.00 117.46 113.31 2poa n PHE 4 Ca 0.00 -2.36 -0.40 0.00 -1.87 0.00 0.00 57.45 52.82 2poa n PHE 4 Cb 0.00 -1.18 -0.05 0.00 -1.61 0.00 0.00 39.48 36.65 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2poa s LEU 5 N -4.11 4.42 0.00 5.98 1.43 -1.23 -4.74 118.68 120.44 2poa s LEU 5 Ca 0.50 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2poa s LEU 5 Cb 0.41 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2poa s LEU 5 CO -0.38 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 176.77 2poa n GLY 6 N 2.54 1.55 3.77 -3.19 0.00 0.12 -4.72 105.19 105.26 2poa n GLY 6 Ca -0.01 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.26 4.55 -0.11 1.61 -2.85 0.01 -0.69 119.74 121.00 2poa s LYS 7 Ca 0.00 1.49 0.01 0.00 -1.00 0.00 0.00 55.97 56.47 2poa s LYS 7 Cb 0.00 -2.91 0.02 0.00 -2.06 0.00 0.00 37.83 32.88 2poa s LYS 7 CO 0.00 0.22 -0.12 -1.58 0.10 0.00 0.00 175.35 173.97 2poa s TRP 8 N -1.45 1.74 0.00 1.78 0.51 -1.26 -0.94 118.94 119.32 2poa s TRP 8 Ca 0.49 -0.82 0.01 0.00 -2.12 0.00 0.00 56.10 53.66 2poa s TRP 8 Cb -0.23 -1.31 -0.01 0.00 -0.81 0.00 0.00 33.47 31.11 2poa s TRP 8 CO 0.29 -0.47 -0.04 -1.59 -0.51 0.00 0.00 176.95 174.64 2poa s LYS 9 N 1.18 0.30 0.10 4.98 0.00 -1.25 -2.56 119.74 122.49 2poa s LYS 9 Ca -0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 55.97 55.41 2poa s LYS 9 Cb -0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 37.83 37.34 2poa s LYS 9 CO -0.03 0.06 1.89 -1.17 0.00 0.00 0.00 175.35 176.10 2poa s LEU 10 N -0.31 4.41 -0.10 2.77 2.96 -1.26 -3.08 118.68 124.07 2poa s LEU 10 Ca -0.01 2.74 -0.08 0.00 -0.22 0.00 0.00 54.13 56.56 2poa s LEU 10 Cb -0.03 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.84 2poa s LEU 10 CO -0.00 -1.03 0.44 -1.28 -1.32 0.00 0.00 176.35 173.16 2poa h SER 11 N 9.31 0.46 -5.18 3.68 0.87 -1.22 -3.48 113.55 117.99 2poa h SER 11 Ca -0.47 -0.95 -0.13 0.00 -1.23 0.00 0.00 61.79 59.01 2poa h SER 11 Cb 1.23 -0.15 -0.16 0.00 -0.44 0.00 0.00 62.40 62.87 2poa h SER 11 CO 0.95 1.84 -0.67 -1.83 -0.53 0.00 0.00 176.83 176.59 2poa s GLU 12 N -2.56 0.55 -0.33 2.24 4.04 -1.13 -5.03 118.70 116.48 2poa s GLU 12 Ca -0.21 -1.07 0.01 0.00 0.04 0.00 0.00 54.97 53.74 2poa s GLU 12 Cb 0.06 0.19 0.08 0.00 0.02 0.00 0.00 34.13 34.49 2poa s GLU 12 CO 0.79 -0.10 0.05 0.45 -1.84 0.00 0.00 175.26 174.60 2poa s SER 13 N -2.59 4.87 -0.07 0.83 0.15 -1.26 -4.19 113.70 111.44 2poa s SER 13 Ca 0.02 -1.77 -0.06 0.00 0.70 0.00 0.00 55.95 54.84 2poa s SER 13 Cb 0.04 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 2poa s SER 13 CO -0.08 -0.36 0.24 -0.74 1.20 0.00 0.00 173.24 173.50 2poa h HIS 14 N 7.85 -0.19 0.00 3.44 2.76 -1.94 -3.41 115.15 123.65 2poa h HIS 14 Ca -0.13 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.01 2poa h HIS 14 Cb 1.04 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 30.02 2poa h HIS 14 CO 0.55 -0.12 -0.34 0.09 -1.30 0.00 0.00 177.93 176.81 2poa n ASN 15 N -4.73 1.56 -4.39 3.26 4.13 -1.26 -5.00 115.26 108.83 2poa n ASN 15 Ca -0.03 -2.95 -0.43 0.00 1.68 0.00 0.00 54.58 52.86 2poa n ASN 15 Cb 0.08 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2poa n PHE 16 N -0.85 4.49 0.20 3.10 7.35 -1.26 -4.05 117.46 126.44 2poa n PHE 16 Ca 0.12 -3.00 0.00 0.00 -0.76 0.00 0.00 57.45 53.81 2poa n PHE 16 Cb 0.72 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 38.10 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 7.00 -3.08 0.13 -2.13 5.75 -1.26 -4.62 116.55 118.34 2poa n ASP 17 Ca 0.45 0.76 0.12 0.00 -0.01 0.00 0.00 54.79 56.11 2poa n ASP 17 Cb 0.43 2.93 0.16 0.00 -1.03 0.00 0.00 41.12 43.62 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 0.76 -0.74 2.12 0.00 -2.00 -3.35 119.26 116.05 2poa h ALA 18 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2poa h ALA 18 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 2poa h ALA 18 CO 0.00 0.00 0.04 -0.24 0.00 0.00 0.00 179.25 179.05 2poa h VAL 19 N 0.00 0.37 0.00 0.00 3.04 -1.94 0.15 116.25 117.87 2poa h VAL 19 Ca 0.00 -0.04 -0.26 0.00 -1.01 0.00 0.00 66.70 65.39 2poa h VAL 19 Cb 0.89 0.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.36 2poa h VAL 19 CO 0.00 0.02 -1.72 0.80 -1.01 0.00 0.00 177.57 175.67 2poa n MET 20 N -5.31 0.64 -0.15 4.17 0.00 -1.26 -3.73 117.12 111.47 2poa n MET 20 Ca 0.14 0.23 -0.01 0.00 -0.00 0.00 0.00 57.70 58.05 2poa n MET 20 Cb 0.47 -1.76 0.22 0.00 0.00 0.00 0.00 33.22 32.15 2poa n MET 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2poa h SER 21 N 0.00 0.79 0.29 6.12 0.87 -1.65 -0.68 113.55 119.30 2poa h SER 21 Ca -0.28 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 2poa h SER 21 Cb 1.90 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 2poa h SER 21 CO 0.06 0.70 -0.18 0.07 -0.53 0.00 0.00 176.83 176.95 2poa h LYS 22 N 0.86 0.00 0.08 2.24 5.09 -0.88 -3.07 116.57 120.89 2poa h LYS 22 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.94 2poa h LYS 22 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 2poa h LYS 22 CO -0.02 0.18 -0.04 1.25 -2.09 0.00 0.00 179.45 178.73 2poa h LEU 23 N 0.00 -0.09 0.00 7.07 5.85 -1.57 -3.49 115.31 123.08 2poa h LEU 23 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2poa h LEU 23 Cb 0.38 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2poa h LEU 23 CO 0.02 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 2poa n GLY 24 N 0.01 -0.42 3.85 3.75 0.00 -0.29 -4.60 105.19 107.48 2poa n GLY 24 Ca -0.08 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 5.31 0.50 1.61 1.01 -1.20 -5.00 120.40 122.63 2poa s VAL 25 Ca 0.00 0.47 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 2poa s VAL 25 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2poa s VAL 25 CO 0.00 0.58 1.27 -0.94 0.00 0.00 0.00 175.10 176.01 2poa s SER 26 N -0.89 5.69 0.00 3.32 1.04 -1.26 -4.75 113.70 116.86 2poa s SER 26 Ca 0.18 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.17 2poa s SER 26 Cb -0.14 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2poa s SER 26 CO 0.07 -1.26 0.65 0.79 0.98 0.00 0.00 173.24 174.46 2poa n TRP 27 N -0.77 0.00 -0.07 5.02 7.02 -1.26 -0.94 117.44 126.45 2poa n TRP 27 Ca 0.09 -0.26 -0.14 0.00 -1.02 0.00 0.00 57.50 56.16 2poa n TRP 27 Cb 0.46 -0.17 -0.05 0.00 -2.42 0.00 0.00 31.31 29.13 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 0.46 2.12 -0.14 6.99 0.00 -1.26 -4.77 120.51 123.91 2poa n ALA 28 Ca 0.00 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.04 2poa n ALA 28 Cb 0.32 0.32 0.48 0.00 0.00 0.00 0.00 19.45 20.58 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 -0.47 0.85 0.00 0.00 1.35 -1.82 -2.62 112.91 110.20 2poa h THR 29 Ca -0.34 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2poa h THR 29 Cb 1.30 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2poa h THR 29 CO -0.20 0.08 0.00 -1.14 -0.25 0.00 0.00 175.52 174.01 2poa n ARG 30 N -4.48 0.04 -0.19 4.72 0.00 -0.11 -1.89 116.66 114.75 2poa n ARG 30 Ca 0.13 0.44 0.06 0.00 -0.00 0.00 0.00 57.85 58.47 2poa n ARG 30 Cb 0.44 -1.61 0.15 0.00 0.00 0.00 0.00 32.46 31.45 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 -1.69 2.88 -0.07 -0.14 3.00 -0.99 -4.58 117.38 115.80 2poa n GLN 31 Ca 0.01 -2.09 -0.09 0.00 -0.01 0.00 0.00 57.00 54.81 2poa n GLN 31 Cb 0.08 -1.31 -0.06 0.00 0.00 0.00 0.00 30.24 28.95 2poa n GLN 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2poa n ILE 32 N 0.36 0.76 -0.10 5.09 -0.00 -0.79 -4.60 119.36 120.08 2poa n ILE 32 Ca 0.12 -0.29 -0.08 0.00 -0.00 0.00 0.00 62.75 62.50 2poa n ILE 32 Cb 0.46 -1.01 -0.02 0.00 -0.00 0.00 0.00 39.64 39.07 2poa n ILE 32 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2poa h GLY 33 N 0.94 -0.34 -4.43 7.39 0.00 -1.66 0.31 103.07 105.29 2poa h GLY 33 Ca -0.30 0.44 -0.56 0.00 0.00 0.00 0.00 47.33 46.91 2poa h GLY 33 CO -0.06 -0.21 0.62 1.16 0.00 0.00 0.00 176.54 178.06 2poa n ASN 34 N -5.42 6.88 0.04 0.19 6.94 -1.26 -4.54 115.26 118.09 2poa n ASN 34 Ca 0.00 -3.41 0.00 0.00 -0.02 0.00 0.00 54.58 51.15 2poa n ASN 34 Cb 0.34 -1.14 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 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 0.24 0.00 -3.11 5.53 -1.04 -0.93 -5.03 114.28 109.93 2poa n THR 35 Ca 0.49 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 62.05 2poa n THR 35 Cb 0.49 -0.02 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 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 -1.18 4.88 -0.18 12.58 1.01 0.06 -4.97 120.40 132.60 2poa s VAL 36 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.50 2poa s VAL 36 Cb 0.00 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 2poa s VAL 36 CO 0.00 -1.16 2.18 0.42 0.00 0.00 0.00 175.10 176.54 2poa s THR 37 N 2.45 3.01 -0.17 3.92 -4.23 -1.26 -4.72 115.64 114.63 2poa s THR 37 Ca 0.14 0.01 -0.32 0.00 -1.18 0.00 0.00 61.69 60.34 2poa s THR 37 Cb -0.21 -3.01 -0.10 0.00 1.34 0.00 0.00 72.50 70.53 2poa s THR 37 CO 0.03 -0.01 2.06 -0.81 -0.54 0.00 0.00 174.62 175.35 2poa n PRO 38 N 8.59 1.93 -1.52 3.99 -0.04 -1.26 -4.46 135.00 142.23 2poa n PRO 38 Ca 0.28 0.63 -0.40 0.00 -0.04 0.00 0.00 63.50 63.98 2poa n PRO 38 Cb 0.44 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.08 2poa n PRO 38 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2poa n THR 39 N 6.38 4.48 -2.77 0.52 -1.04 -1.26 -4.36 114.28 116.24 2poa n THR 39 Ca 0.29 -3.06 -0.43 0.00 -2.04 0.00 0.00 64.05 58.81 2poa n THR 39 Cb 0.33 -2.49 -0.02 0.00 -1.82 0.00 0.00 70.33 66.34 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 1.42 4.45 -0.48 12.58 -7.23 -1.06 -2.59 120.40 127.50 2poa s VAL 40 Ca 0.64 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.14 2poa s VAL 40 Cb 0.18 -4.94 0.10 0.00 0.56 0.00 0.00 36.38 32.28 2poa s VAL 40 CO -0.07 -1.73 0.38 -0.89 -0.31 0.00 0.00 175.10 172.48 2poa s THR 41 N 3.41 4.71 -0.38 5.32 2.01 -1.25 -4.01 115.64 125.45 2poa s THR 41 Ca 0.41 -1.45 -0.16 0.00 0.31 0.00 0.00 61.69 60.80 2poa s THR 41 Cb -0.02 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2poa s THR 41 CO -0.06 -0.69 0.40 0.12 -0.69 0.00 0.00 174.62 173.71 2poa s PHE 42 N 1.50 3.19 -0.06 4.92 2.19 0.13 -0.50 117.98 129.36 2poa s PHE 42 Ca 0.04 -0.19 -0.04 0.00 0.33 0.00 0.00 56.93 57.07 2poa s PHE 42 Cb -0.26 -2.79 0.02 0.00 -1.31 0.00 0.00 43.02 38.68 2poa s PHE 42 CO 0.03 -0.57 0.14 0.95 1.83 0.00 0.00 175.22 177.59 2poa s THR 43 N 2.09 -0.02 -0.49 0.12 -4.23 -0.14 -0.70 115.64 112.27 2poa s THR 43 Ca 0.12 0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.42 2poa s THR 43 Cb -0.17 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.49 2poa s THR 43 CO 0.13 0.03 1.07 -0.32 -0.54 0.00 0.00 174.62 174.98 2poa s MET 44 N 0.47 3.62 -1.02 3.99 1.75 -1.26 0.10 119.30 126.94 2poa s MET 44 Ca -0.03 0.37 -0.15 0.00 -1.25 0.00 0.00 55.69 54.62 2poa s MET 44 Cb -0.05 -3.93 0.17 0.00 2.84 0.00 0.00 34.83 33.87 2poa s MET 44 CO -0.02 -1.37 1.16 0.34 -0.65 0.00 0.00 175.02 174.49 2poa s ASP 45 N 2.46 6.87 0.00 1.11 2.15 -0.29 -4.83 116.67 124.14 2poa s ASP 45 Ca 0.43 -2.62 0.00 0.00 0.43 0.00 0.00 52.55 50.79 2poa s ASP 45 Cb -0.08 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2poa s ASP 45 CO 0.29 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 2poa n GLY 46 N 4.50 2.07 0.54 2.66 0.00 -1.26 -3.64 105.19 110.07 2poa n GLY 46 Ca 0.26 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 4.09 1.53 -4.87 1.61 2.03 -1.26 -5.11 116.55 114.57 2poa n ASP 47 Ca 0.00 0.24 -0.21 0.00 0.52 0.00 0.00 54.79 55.33 2poa n ASP 47 Cb 0.00 -0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.82 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 -2.46 3.04 0.35 -0.67 -2.85 -1.24 -5.02 119.74 110.89 2poa s LYS 48 Ca -0.15 -1.01 -0.07 0.00 -1.00 0.00 0.00 55.97 53.74 2poa s LYS 48 Cb 0.02 -2.64 -0.06 0.00 -2.06 0.00 0.00 37.83 33.09 2poa s LYS 48 CO 0.22 0.37 0.65 -1.64 0.10 0.00 0.00 175.35 175.06 2poa s MET 49 N -3.90 3.69 -0.03 1.78 -1.94 -0.62 -1.13 119.30 117.15 2poa s MET 49 Ca 0.34 0.21 -0.01 0.00 -1.71 0.00 0.00 55.69 54.52 2poa s MET 49 Cb -0.08 -2.53 0.03 0.00 2.01 0.00 0.00 34.83 34.26 2poa s MET 49 CO 0.26 0.09 0.05 0.99 -0.01 0.00 0.00 175.02 176.40 2poa s THR 50 N -2.23 -0.09 -0.42 2.05 2.01 0.11 -1.18 115.64 115.89 2poa s THR 50 Ca 0.47 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.54 2poa s THR 50 Cb -0.10 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.30 2poa s THR 50 CO 0.31 0.14 0.97 -0.04 -0.69 0.00 0.00 174.62 175.31 2poa s MET 51 N 1.69 3.70 -1.19 4.92 -1.94 -0.37 -0.97 119.30 125.14 2poa s MET 51 Ca -0.01 0.42 -0.06 0.00 -1.71 0.00 0.00 55.69 54.32 2poa s MET 51 Cb -0.12 -3.87 0.23 0.00 2.01 0.00 0.00 34.83 33.08 2poa s MET 51 CO -0.03 -1.13 1.75 1.28 -0.01 0.00 0.00 175.02 176.88 2poa n LEU 52 N 7.12 6.71 -4.58 -0.03 4.77 0.34 -1.36 117.00 129.97 2poa n LEU 52 Ca 0.08 -4.93 -0.41 0.00 -0.03 0.00 0.00 56.01 50.71 2poa n LEU 52 Cb 0.48 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 2poa n LEU 52 CO 0.63 1.59 1.42 -0.89 -1.33 0.00 0.00 177.39 178.81 2poa s THR 53 N -1.26 3.61 -0.68 -5.08 2.01 -0.69 -3.87 115.64 109.68 2poa s THR 53 Ca 0.37 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.96 2poa s THR 53 Cb 0.09 -4.04 0.22 0.00 0.01 0.00 0.00 72.50 68.78 2poa s THR 53 CO 0.03 -0.81 0.67 -0.62 -0.69 0.00 0.00 174.62 173.20 2poa n GLU 54 N 8.62 2.31 -3.34 4.92 -0.58 -1.07 -0.19 120.64 131.31 2poa n GLU 54 Ca 0.18 -4.60 -0.19 0.00 -0.42 0.00 0.00 57.16 52.13 2poa n GLU 54 Cb 0.49 -2.28 -0.01 0.00 -0.57 0.00 0.00 31.44 29.07 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 -2.02 5.45 0.37 1.62 0.01 -0.19 -4.18 113.70 114.75 2poa s SER 55 Ca 0.34 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 57.13 2poa s SER 55 Cb 0.07 -0.73 0.69 0.00 0.21 0.00 0.00 66.02 66.26 2poa s SER 55 CO -0.07 -0.64 2.00 0.74 0.41 0.00 0.00 173.24 175.68 2poa h THR 56 N 0.87 1.15 0.00 1.44 2.02 -1.95 -2.91 112.91 113.53 2poa h THR 56 Ca -0.42 -0.35 -0.37 0.00 0.77 0.00 0.00 66.41 66.05 2poa h THR 56 Cb 1.27 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 2poa h THR 56 CO 0.52 0.16 -2.38 0.49 0.37 0.00 0.00 175.52 174.67 2poa n PHE 57 N -4.42 0.00 -3.42 3.16 3.01 -1.26 -4.69 117.46 109.84 2poa n PHE 57 Ca 0.04 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.06 2poa n PHE 57 Cb 0.08 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 38.58 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2poa s LYS 58 N -2.49 3.46 -0.87 -1.08 1.02 -1.25 -4.41 119.74 114.12 2poa s LYS 58 Ca -0.33 -2.61 -0.13 0.00 0.02 0.00 0.00 55.97 52.93 2poa s LYS 58 Cb 0.09 -4.28 0.23 0.00 -0.52 0.00 0.00 37.83 33.34 2poa s LYS 58 CO 0.56 -1.26 0.82 0.54 -0.92 0.00 0.00 175.35 175.08 2poa s ASN 59 N 1.65 6.80 -0.17 2.83 4.22 -1.10 -1.02 114.94 128.15 2poa s ASN 59 Ca 0.20 -2.87 -0.21 0.00 -2.14 0.00 0.00 52.86 47.84 2poa s ASN 59 Cb -0.12 -2.19 0.05 0.00 1.28 0.00 0.00 41.25 40.27 2poa s ASN 59 CO -0.08 -0.51 0.56 -1.48 -2.04 0.00 0.00 177.10 173.55 2poa s LEU 60 N -0.12 -0.13 -0.13 3.54 0.05 0.73 -4.98 118.68 117.64 2poa s LEU 60 Ca 0.20 0.96 -0.07 0.00 0.05 0.00 0.00 54.13 55.27 2poa s LEU 60 Cb -0.10 1.96 -0.04 0.00 -2.05 0.00 0.00 46.19 45.96 2poa s LEU 60 CO -0.09 -0.29 0.11 -0.94 -0.55 0.00 0.00 176.35 174.59 2poa s SER 61 N -0.11 6.12 -0.06 1.48 1.04 -1.26 -1.70 113.70 119.20 2poa s SER 61 Ca -0.03 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.75 2poa s SER 61 Cb -0.03 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.13 2poa s SER 61 CO 0.03 0.35 -0.05 0.68 0.98 0.00 0.00 173.24 175.22 2poa s VAL 62 N -0.66 0.67 -0.02 5.02 -7.23 -0.47 -5.00 120.40 112.72 2poa s VAL 62 Ca 0.13 -0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.18 2poa s VAL 62 Cb -0.12 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 2poa s VAL 62 CO 0.02 0.27 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.05 2poa s THR 63 N 1.19 3.06 -0.03 5.32 2.01 -1.26 -1.24 115.64 124.69 2poa s THR 63 Ca -0.06 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 2poa s THR 63 Cb -0.14 -2.24 0.10 0.00 0.01 0.00 0.00 72.50 70.23 2poa s THR 63 CO -0.02 0.49 0.85 0.72 -0.69 0.00 0.00 174.62 175.97 2poa s PHE 64 N -0.82 -0.42 0.42 4.92 -0.12 -0.33 -4.99 117.98 116.63 2poa s PHE 64 Ca 0.13 0.47 0.07 0.00 -0.05 0.00 0.00 56.93 57.56 2poa s PHE 64 Cb -0.11 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2poa s PHE 64 CO 0.03 -0.54 0.24 -1.59 -0.05 0.00 0.00 175.22 173.31 2poa s LYS 65 N -2.39 2.32 0.00 1.99 -2.85 -1.26 -1.59 119.74 115.96 2poa s LYS 65 Ca 0.00 -1.76 -0.05 0.00 -1.00 0.00 0.00 55.97 53.17 2poa s LYS 65 Cb -0.01 -2.10 -0.21 0.00 -2.06 0.00 0.00 37.83 33.45 2poa s LYS 65 CO -0.04 -0.15 3.18 1.97 0.10 0.00 0.00 175.35 180.41 2poa n PHE 66 N -1.34 0.00 -2.66 1.78 -1.74 -1.26 -3.81 117.46 108.44 2poa n PHE 66 Ca 0.00 -1.33 -0.03 0.00 -0.56 0.00 0.00 57.45 55.54 2poa n PHE 66 Cb 0.64 -1.36 0.09 0.00 1.52 0.00 0.00 39.48 40.37 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 2.37 -1.48 3.43 4.97 0.00 -1.00 -4.60 105.19 108.89 2poa n GLY 67 Ca 0.34 0.72 -0.12 0.00 0.00 0.00 0.00 46.02 46.96 2poa n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2poa s GLU 68 N 0.02 0.58 -1.02 1.61 2.12 -1.22 -4.96 118.70 115.83 2poa s GLU 68 Ca 0.16 0.83 -0.19 0.00 0.36 0.00 0.00 54.97 56.14 2poa s GLU 68 Cb 0.24 0.20 0.11 0.00 0.26 0.00 0.00 34.13 34.94 2poa s GLU 68 CO -0.17 -0.11 1.29 -1.83 -0.54 0.00 0.00 175.26 173.90 2poa s GLU 69 N 0.78 3.69 0.25 4.30 -1.05 -1.26 -1.45 118.70 123.97 2poa s GLU 69 Ca -0.04 -1.73 -0.30 0.00 -0.15 0.00 0.00 54.97 52.76 2poa s GLU 69 Cb -0.05 -5.09 -0.09 0.00 -0.44 0.00 0.00 34.13 28.46 2poa s GLU 69 CO -0.06 -1.92 1.04 -0.59 0.95 0.00 0.00 175.26 174.68 2poa s PHE 70 N 3.22 3.73 0.08 4.83 -0.12 -0.81 -4.55 117.98 124.36 2poa s PHE 70 Ca 0.39 1.77 -0.12 0.00 -0.05 0.00 0.00 56.93 58.92 2poa s PHE 70 Cb -0.03 -3.17 -0.06 0.00 -0.63 0.00 0.00 43.02 39.13 2poa s PHE 70 CO -0.07 -0.18 0.44 0.16 -0.05 0.00 0.00 175.22 175.52 2poa s ASP 71 N -0.88 6.72 -0.01 1.98 -4.77 -1.26 -1.24 116.67 117.21 2poa s ASP 71 Ca 0.44 0.90 0.01 0.00 -3.30 0.00 0.00 52.55 50.59 2poa s ASP 71 Cb -0.29 -2.22 0.01 0.00 -1.09 0.00 0.00 42.92 39.32 2poa s ASP 71 CO 0.37 0.19 -0.02 -1.83 0.70 0.00 0.00 175.17 174.58 2poa s GLU 72 N -1.74 0.24 -0.17 2.11 4.04 0.03 -4.96 118.70 118.24 2poa s GLU 72 Ca 0.32 -0.05 -0.02 0.00 0.04 0.00 0.00 54.97 55.26 2poa s GLU 72 Cb -0.15 -0.28 -0.01 0.00 0.02 0.00 0.00 34.13 33.71 2poa s GLU 72 CO 0.17 0.01 -0.08 0.21 -1.84 0.00 0.00 175.26 173.73 2poa s LYS 73 N 0.23 3.42 0.28 -4.83 2.20 -1.26 -0.88 119.74 118.90 2poa s LYS 73 Ca -0.02 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2poa s LYS 73 Cb -0.05 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 2poa s LYS 73 CO -0.01 0.03 0.51 0.95 -0.36 0.00 0.00 175.35 176.47 2poa s THR 74 N 0.86 5.10 -0.31 3.43 -4.23 -0.77 -4.94 115.64 114.78 2poa s THR 74 Ca -0.02 -0.21 0.21 0.00 -1.18 0.00 0.00 61.69 60.49 2poa s THR 74 Cb -0.15 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.13 2poa s THR 74 CO 0.01 -0.35 1.64 -0.24 -0.54 0.00 0.00 174.62 175.13 2poa n SER 75 N -1.12 0.55 0.09 3.99 2.88 -1.26 -1.57 113.62 117.18 2poa n SER 75 Ca -0.03 0.72 0.01 0.00 -1.33 0.00 0.00 58.87 58.24 2poa n SER 75 Cb 0.55 -0.81 0.34 0.00 -0.75 0.00 0.00 64.21 63.53 2poa n SER 75 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2poa h ASP 76 N 0.00 0.29 -0.39 -3.46 5.19 -1.95 -3.49 116.42 112.61 2poa h ASP 76 Ca 0.00 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2poa h ASP 76 Cb 0.09 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2poa h ASP 76 CO 0.00 0.47 0.00 0.61 -3.12 0.00 0.00 179.24 177.20 2poa n GLY 77 N -0.75 0.80 2.72 2.75 0.00 -0.61 -4.91 105.19 105.19 2poa n GLY 77 Ca -0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 2poa n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2poa s ARG 78 N -2.13 0.22 -0.75 1.61 1.81 -1.25 -4.95 118.95 113.51 2poa s ARG 78 Ca 0.00 0.01 -0.21 0.00 -1.72 0.00 0.00 55.73 53.81 2poa s ARG 78 Cb 0.00 -1.08 0.09 0.00 -0.45 0.00 0.00 34.95 33.52 2poa s ARG 78 CO 0.00 -0.80 0.99 1.21 -0.68 0.00 0.00 175.30 176.02 2poa s ASN 79 N 2.30 6.33 -0.08 0.23 2.47 -1.26 -1.85 114.94 123.07 2poa s ASN 79 Ca 0.08 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.95 2poa s ASN 79 Cb -0.15 -2.40 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2poa s ASN 79 CO -0.21 -1.28 -0.07 0.68 -3.72 0.00 0.00 177.10 172.50 2poa s VAL 80 N 3.44 3.63 0.49 -5.21 -7.23 -0.06 -4.89 120.40 110.56 2poa s VAL 80 Ca 0.25 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.95 2poa s VAL 80 Cb -0.14 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2poa s VAL 80 CO 0.03 0.58 0.68 -1.59 -0.31 0.00 0.00 175.10 174.49 2poa s LYS 81 N -0.54 2.74 -0.29 4.82 -2.85 -0.79 -0.79 119.74 122.03 2poa s LYS 81 Ca 0.08 -0.87 0.02 0.00 -1.00 0.00 0.00 55.97 54.20 2poa s LYS 81 Cb -0.12 -2.59 0.19 0.00 -2.06 0.00 0.00 37.83 33.25 2poa s LYS 81 CO 0.02 -0.47 0.57 -1.12 0.10 0.00 0.00 175.35 174.45 2poa s SER 82 N -4.36 -1.29 -0.45 0.03 0.01 -0.38 0.03 113.70 107.29 2poa s SER 82 Ca 0.54 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 57.97 2poa s SER 82 Cb -0.10 1.98 0.03 0.00 0.21 0.00 0.00 66.02 68.14 2poa s SER 82 CO 0.36 -0.29 1.14 0.54 0.41 0.00 0.00 173.24 175.41 2poa s VAL 83 N 2.81 4.24 -0.17 3.43 0.11 -0.38 -1.93 120.40 128.51 2poa s VAL 83 Ca 0.15 1.29 -0.19 0.00 -2.93 0.00 0.00 61.98 60.31 2poa s VAL 83 Cb -0.13 -4.57 -0.03 0.00 -1.53 0.00 0.00 36.38 30.12 2poa s VAL 83 CO -0.24 -0.93 0.52 -0.69 -3.33 0.00 0.00 175.10 170.44 2poa s VAL 84 N 4.37 5.12 -0.21 2.04 1.01 -0.53 -1.27 120.40 130.93 2poa s VAL 84 Ca 0.48 0.99 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 2poa s VAL 84 Cb -0.08 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.50 2poa s VAL 84 CO 0.29 0.22 0.55 -0.70 0.00 0.00 0.00 175.10 175.46 2poa s GLU 85 N 1.33 0.64 0.00 2.72 -6.30 -1.26 -2.36 118.70 113.46 2poa s GLU 85 Ca 0.25 0.78 -0.23 0.00 -2.50 0.00 0.00 54.97 53.27 2poa s GLU 85 Cb -0.15 0.30 -0.05 0.00 0.00 0.00 0.00 34.13 34.23 2poa s GLU 85 CO 0.10 -0.08 0.69 -1.59 0.02 0.00 0.00 175.26 174.40 2poa s LYS 86 N 0.36 4.42 -0.09 4.30 0.00 -1.26 -1.03 119.74 126.44 2poa s LYS 86 Ca -0.01 0.91 -0.24 0.00 0.00 0.00 0.00 55.97 56.64 2poa s LYS 86 Cb -0.04 -3.38 -0.29 0.00 0.00 0.00 0.00 37.83 34.13 2poa s LYS 86 CO -0.00 0.25 0.79 -0.97 0.00 0.00 0.00 175.35 175.42 2poa h ASN 87 N 5.94 0.29 -4.03 0.03 -0.73 -0.91 -3.49 115.58 112.68 2poa h ASN 87 Ca -0.44 -0.94 -0.32 0.00 1.87 0.00 0.00 56.30 56.48 2poa h ASN 87 Cb 1.20 -0.09 -0.08 0.00 0.27 0.00 0.00 38.32 39.62 2poa h ASN 87 CO 0.72 1.29 -0.25 -1.20 -0.37 0.00 0.00 177.43 177.62 2poa n SER 88 N -4.27 -0.91 -0.14 1.15 7.64 -0.71 -4.96 113.62 111.40 2poa n SER 88 Ca -0.15 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 56.98 2poa n SER 88 Cb 0.71 1.84 0.00 0.00 -1.01 0.00 0.00 64.21 65.76 2poa n SER 88 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2poa n GLU 89 N -0.52 0.57 -1.32 1.43 1.02 -1.26 -1.64 120.64 118.92 2poa n GLU 89 Ca 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2poa n GLU 89 Cb 0.51 -1.08 0.10 0.00 -0.02 0.00 0.00 31.44 30.94 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2poa n SER 90 N -0.29 1.63 -3.15 1.62 3.41 -1.26 -3.18 113.62 112.40 2poa n SER 90 Ca 0.00 -2.87 0.04 0.00 -0.26 0.00 0.00 58.87 55.78 2poa n SER 90 Cb 0.04 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.87 0.46 -0.02 4.33 2.47 -0.65 -3.46 119.74 121.00 2poa s LYS 91 Ca 0.36 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.47 2poa s LYS 91 Cb 0.38 0.36 0.01 0.00 -1.46 0.00 0.00 37.83 37.12 2poa s LYS 91 CO -0.10 -0.64 -0.04 -1.17 0.16 0.00 0.00 175.35 173.56 2poa s LEU 92 N 2.88 1.67 -0.87 5.43 0.20 -0.71 -0.14 118.68 127.15 2poa s LEU 92 Ca 0.15 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.88 2poa s LEU 92 Cb -0.12 -0.33 0.31 0.00 -0.43 0.00 0.00 46.19 45.62 2poa s LEU 92 CO -0.21 0.01 1.31 1.07 -0.29 0.00 0.00 176.35 178.23 2poa n THR 93 N 3.46 4.44 -2.21 3.68 5.66 -0.20 -0.21 114.28 128.90 2poa n THR 93 Ca -0.19 -5.73 -0.42 0.00 -3.05 0.00 0.00 64.05 54.66 2poa n THR 93 Cb 0.55 -1.80 -0.00 0.00 -1.55 0.00 0.00 70.33 67.52 2poa n THR 93 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2poa n GLN 94 N 0.52 3.00 -3.10 1.09 7.27 -1.26 -4.37 117.38 120.53 2poa n GLN 94 Ca 0.34 -2.97 -0.41 0.00 0.07 0.00 0.00 57.00 54.02 2poa n GLN 94 Cb 0.34 -3.41 -0.06 0.00 2.41 0.00 0.00 30.24 29.51 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 3.99 4.90 0.02 1.69 2.01 -0.40 -4.66 115.64 123.20 2poa s THR 95 Ca 0.52 0.73 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 2poa s THR 95 Cb 0.08 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 2poa s THR 95 CO 0.02 -0.24 1.41 -1.10 -0.69 0.00 0.00 174.62 174.01 2poa s GLN 96 N 2.69 4.29 -0.49 4.92 -0.21 -1.26 -1.25 119.66 128.35 2poa s GLN 96 Ca 0.25 1.99 -0.02 0.00 0.02 0.00 0.00 55.36 57.61 2poa s GLN 96 Cb -0.15 -3.52 0.13 0.00 1.00 0.00 0.00 33.01 30.47 2poa s GLN 96 CO 0.14 -0.55 0.28 0.08 -2.12 0.00 0.00 175.29 173.11 2poa s VAL 97 N 2.19 3.30 0.50 1.09 1.01 0.10 -1.52 120.40 127.07 2poa s VAL 97 Ca 0.64 -2.51 0.07 0.00 0.00 0.00 0.00 61.98 60.18 2poa s VAL 97 Cb -0.32 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2poa s VAL 97 CO 0.27 -0.76 0.42 -1.81 0.00 0.00 0.00 175.10 173.23 2poa s ASP 98 N 1.17 4.81 0.00 3.32 1.11 -1.26 -1.89 116.67 123.93 2poa s ASP 98 Ca 0.12 -1.02 0.00 0.00 0.18 0.00 0.00 52.55 51.83 2poa s ASP 98 Cb -0.22 0.01 0.00 0.00 1.07 0.00 0.00 42.92 43.78 2poa s ASP 98 CO -0.04 -0.94 0.88 -0.81 1.18 0.00 0.00 175.17 175.44 2poa n PRO 99 N -1.71 0.00 0.00 8.23 -0.04 -1.26 -1.84 135.00 138.38 2poa n PRO 99 Ca 0.02 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2poa n PRO 99 Cb 0.63 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.38 3.79 -1.71 0.54 0.00 -1.26 -5.14 118.16 113.01 2poa n LYS 100 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 58.31 58.10 2poa n LYS 100 Cb 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.17 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 -0.79 -6.48 -4.79 3.14 4.13 -0.77 -5.03 115.26 104.67 2poa n ASN 101 Ca 0.02 1.04 -0.38 0.00 1.68 0.00 0.00 54.58 56.94 2poa n ASN 101 Cb 0.12 -3.52 -0.06 0.00 -1.54 0.00 0.00 39.78 34.77 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2poa s THR 102 N -0.35 4.96 0.20 3.41 2.01 -0.57 -4.87 115.64 120.43 2poa s THR 102 Ca 0.00 1.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.78 2poa s THR 102 Cb 0.00 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 2poa s THR 102 CO 0.00 0.50 0.79 -0.89 -0.69 0.00 0.00 174.62 174.33 2poa s THR 103 N -0.61 4.38 -0.24 -0.82 2.01 -0.82 -4.35 115.64 115.17 2poa s THR 103 Ca 0.27 1.65 -0.11 0.00 0.31 0.00 0.00 61.69 63.81 2poa s THR 103 Cb -0.17 -4.08 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 2poa s THR 103 CO 0.15 0.42 0.75 1.33 -0.69 0.00 0.00 174.62 176.58 2poa n VAL 104 N 1.31 0.00 -1.44 3.82 0.24 -1.26 -4.05 118.33 116.94 2poa n VAL 104 Ca -0.04 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.00 2poa n VAL 104 Cb 0.49 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 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 2.16 3.28 -1.42 1.34 -6.64 -1.26 -4.64 119.36 112.18 2poa n ILE 105 Ca 0.19 -2.90 -0.57 0.00 -1.77 0.00 0.00 62.75 57.70 2poa n ILE 105 Cb 0.00 -1.56 -0.09 0.00 -1.44 0.00 0.00 39.64 36.55 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2poa n VAL 106 N 0.78 0.11 -3.39 7.28 0.24 -1.23 -4.48 118.33 117.64 2poa n VAL 106 Ca 0.48 -0.10 -0.44 0.00 -2.04 0.00 0.00 64.34 62.23 2poa n VAL 106 Cb 0.55 -1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 2poa n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2poa s ARG 107 N 5.56 2.99 0.44 7.34 1.70 0.71 -2.30 118.95 135.38 2poa s ARG 107 Ca 1.12 -1.29 0.08 0.00 -0.47 0.00 0.00 55.73 55.18 2poa s ARG 107 Cb -1.20 -4.11 0.00 0.00 -0.57 0.00 0.00 34.95 29.07 2poa s ARG 107 CO 0.61 -1.00 0.48 -2.00 -1.08 0.00 0.00 175.30 172.31 2poa s GLU 108 N 1.69 2.57 -0.07 3.89 2.12 -0.92 -1.74 118.70 126.25 2poa s GLU 108 Ca 0.05 -1.50 -0.03 0.00 0.36 0.00 0.00 54.97 53.85 2poa s GLU 108 Cb -0.23 -2.50 0.04 0.00 0.26 0.00 0.00 34.13 31.70 2poa s GLU 108 CO 0.07 -0.32 0.14 0.54 -0.54 0.00 0.00 175.26 175.16 2poa s VAL 109 N -2.48 -0.13 -0.68 3.70 0.11 -1.22 -1.32 120.40 118.37 2poa s VAL 109 Ca 0.50 0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 59.78 2poa s VAL 109 Cb -0.05 -0.25 0.33 0.00 -1.53 0.00 0.00 36.38 34.88 2poa s VAL 109 CO 0.30 0.10 2.14 0.47 -3.33 0.00 0.00 175.10 174.78 2poa n ASP 110 N 4.63 7.35 -1.75 3.54 9.92 -0.52 -4.90 116.55 134.82 2poa n ASP 110 Ca -0.18 -3.66 -0.01 0.00 -0.53 0.00 0.00 54.79 50.41 2poa n ASP 110 Cb 0.51 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 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 -0.38 -1.93 2.56 0.44 0.00 -1.26 -4.45 105.19 100.17 2poa n GLY 111 Ca 0.54 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.17 -5.30 -3.44 1.61 8.00 -1.26 -4.95 116.55 111.04 2poa n ASP 112 Ca 0.01 0.46 -0.28 0.00 0.71 0.00 0.00 54.79 55.68 2poa n ASP 112 Cb 0.05 -4.56 -0.11 0.00 -0.02 0.00 0.00 41.12 36.47 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 -2.56 0.19 -0.42 -3.53 -1.32 -1.26 -3.15 115.64 103.59 2poa s THR 113 Ca 0.00 -1.98 -0.28 0.00 -1.21 0.00 0.00 61.69 58.22 2poa s THR 113 Cb 0.00 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 2poa s THR 113 CO 0.00 -1.06 1.81 -0.04 -2.21 0.00 0.00 174.62 173.11 2poa s MET 114 N 0.78 3.12 -0.71 7.08 -1.94 0.48 -1.44 119.30 126.68 2poa s MET 114 Ca 0.22 1.17 -0.17 0.00 -1.71 0.00 0.00 55.69 55.20 2poa s MET 114 Cb -0.15 -4.25 0.15 0.00 2.01 0.00 0.00 34.83 32.59 2poa s MET 114 CO -0.05 -2.12 0.76 0.21 -0.01 0.00 0.00 175.02 173.81 2poa s LYS 115 N 6.06 3.29 -0.31 2.03 2.20 -0.43 -1.82 119.74 130.75 2poa s LYS 115 Ca 0.76 -1.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.60 2poa s LYS 115 Cb -0.19 -4.42 0.09 0.00 -1.51 0.00 0.00 37.83 31.80 2poa s LYS 115 CO 0.30 -1.47 0.03 0.95 -0.36 0.00 0.00 175.35 174.80 2poa s THR 116 N 1.77 1.90 -0.62 3.43 -4.23 0.31 -2.15 115.64 116.05 2poa s THR 116 Ca 0.15 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.43 2poa s THR 116 Cb -0.18 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.34 2poa s THR 116 CO -0.01 -0.50 1.35 -0.89 -0.54 0.00 0.00 174.62 174.03 2poa s THR 117 N 1.12 3.79 -0.55 3.99 2.01 -0.97 -1.99 115.64 123.05 2poa s THR 117 Ca 0.07 0.62 -0.18 0.00 0.31 0.00 0.00 61.69 62.51 2poa s THR 117 Cb -0.19 -4.61 0.09 0.00 0.01 0.00 0.00 72.50 67.81 2poa s THR 117 CO -0.11 -1.39 0.61 0.54 -0.69 0.00 0.00 174.62 173.58 2poa s VAL 118 N 5.91 4.96 0.20 3.82 0.11 -0.14 -3.57 120.40 131.69 2poa s VAL 118 Ca 0.46 -0.97 0.09 0.00 -2.93 0.00 0.00 61.98 58.62 2poa s VAL 118 Cb -0.09 -4.37 -0.04 0.00 -1.53 0.00 0.00 36.38 30.35 2poa s VAL 118 CO 0.22 -0.93 -0.04 0.28 -3.33 0.00 0.00 175.10 171.30 2poa s THR 119 N 2.33 3.42 -0.43 5.04 -1.32 -1.26 -0.55 115.64 122.88 2poa s THR 119 Ca 0.10 -1.67 0.05 0.00 -1.21 0.00 0.00 61.69 58.96 2poa s THR 119 Cb -0.24 -2.74 0.19 0.00 -1.51 0.00 0.00 72.50 68.20 2poa s THR 119 CO 0.07 -0.19 0.46 0.52 -2.21 0.00 0.00 174.62 173.27 2poa n VAL 120 N -0.29 -0.88 0.00 5.08 0.31 -1.26 -1.95 118.33 119.34 2poa n VAL 120 Ca -0.09 -3.09 0.00 0.00 -0.01 0.00 0.00 64.34 61.15 2poa n VAL 120 Cb 0.56 -1.17 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 2.49 0.73 1.80 2.92 0.00 -1.26 -4.35 105.19 107.53 2poa n GLY 121 Ca 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 1.56 0.02 0.06 1.61 5.68 -1.26 -4.99 116.55 119.24 2poa n ASP 122 Ca 0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2poa n ASP 122 Cb 0.00 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 -0.24 0.31 -2.93 2.12 0.31 -1.26 -5.12 118.33 111.52 2poa n VAL 123 Ca -0.09 0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 2poa n VAL 123 Cb 0.89 -0.74 0.01 0.00 -0.91 0.00 0.00 33.84 33.10 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 -3.08-10.69 -3.12 2.52 -1.04 -1.24 -4.95 114.28 92.68 2poa n THR 124 Ca 0.00 0.58 -0.45 0.00 -2.04 0.00 0.00 64.05 62.14 2poa n THR 124 Cb 0.00 -7.11 -0.04 0.00 -1.82 0.00 0.00 70.33 61.35 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 -2.69 3.45 -1.22 2.41 0.00 0.28 -4.64 121.76 119.36 2poa s ALA 125 Ca 0.18 -2.31 -0.20 0.00 0.00 0.00 0.00 51.96 49.64 2poa s ALA 125 Cb -0.05 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2poa s ALA 125 CO 0.77 -2.36 1.89 1.51 0.00 0.00 0.00 175.76 177.57 2poa n ILE 126 N 5.47 2.92 -2.51 0.00 0.13 -1.26 -0.97 119.36 123.14 2poa n ILE 126 Ca -0.08 -2.93 -0.43 0.00 -1.10 0.00 0.00 62.75 58.22 2poa n ILE 126 Cb 0.43 -2.32 -0.02 0.00 -0.84 0.00 0.00 39.64 36.89 2poa n ILE 126 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 2poa s ARG 127 N 4.96 4.26 -0.18 9.51 0.52 -0.84 -4.67 118.95 132.50 2poa s ARG 127 Ca 0.58 1.56 -0.14 0.00 -0.52 0.00 0.00 55.73 57.22 2poa s ARG 127 Cb 0.05 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2poa s ARG 127 CO 0.08 -0.64 0.30 1.21 0.02 0.00 0.00 175.30 176.27 2poa s ASN 128 N 1.66 6.38 -0.07 0.23 2.47 -1.26 -0.53 114.94 123.84 2poa s ASN 128 Ca 0.51 0.44 -0.17 0.00 0.42 0.00 0.00 52.86 54.07 2poa s ASN 128 Cb -0.20 -2.18 0.04 0.00 -1.45 0.00 0.00 41.25 37.46 2poa s ASN 128 CO 0.13 0.05 0.40 -0.72 -3.72 0.00 0.00 177.10 173.23 2poa s TYR 129 N 0.78 -0.34 -0.06 0.43 -0.85 -0.76 -0.61 117.35 115.94 2poa s TYR 129 Ca 0.16 0.68 -0.13 0.00 -0.52 0.00 0.00 57.07 57.26 2poa s TYR 129 Cb -0.13 0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.31 2poa s TYR 129 CO 0.05 -0.36 0.33 0.15 -1.52 0.00 0.00 175.55 174.20 2poa s LYS 130 N -0.77 3.89 -0.43 -3.49 3.01 -1.18 -0.39 119.74 120.38 2poa s LYS 130 Ca -0.09 0.24 -0.29 0.00 -1.01 0.00 0.00 55.97 54.83 2poa s LYS 130 Cb -0.04 -3.26 0.01 0.00 -1.01 0.00 0.00 37.83 33.53 2poa s LYS 130 CO 0.04 0.61 1.47 0.50 0.51 0.00 0.00 175.35 178.48 2poa s ARG 131 N -0.73 3.48 -0.04 1.68 3.52 -1.19 -3.77 118.95 121.90 2poa s ARG 131 Ca 0.21 0.92 0.07 0.00 -0.13 0.00 0.00 55.73 56.79 2poa s ARG 131 Cb -0.15 -4.07 -0.01 0.00 -1.56 0.00 0.00 34.95 29.16 2poa s ARG 131 CO 0.10 -1.68 -0.25 -0.51 -0.81 0.00 0.00 175.30 172.14 2poa s LEU 132 N 5.79 2.05 0.00 -0.88 1.43 -0.12 -4.97 118.68 121.98 2poa s LEU 132 Ca 0.62 -0.48 0.28 0.00 -1.03 0.00 0.00 54.13 53.52 2poa s LEU 132 Cb -0.14 -1.33 0.97 0.00 0.03 0.00 0.00 46.19 45.72 2poa s LEU 132 CO 0.32 0.27 1.70 -1.54 0.23 0.00 0.00 176.35 177.32