#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 0.60 -0.83 7.83 0.02 -1.98 -3.36 113.55 115.83 2poa h SER 2 Ca 0.00 -0.89 0.07 0.00 -0.84 0.00 0.00 61.79 60.12 2poa h SER 2 Cb 0.00 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 2poa h SER 2 CO 0.00 1.75 0.54 -1.28 -1.14 0.00 0.00 176.83 176.70 2poa h SER 3 N 0.11 0.80 -1.41 3.07 0.87 -1.97 -3.23 113.55 111.79 2poa h SER 3 Ca -0.33 0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.57 2poa h SER 3 Cb 2.10 -0.16 -0.34 0.00 -0.44 0.00 0.00 62.40 63.55 2poa h SER 3 CO 0.18 0.51 0.22 2.22 -0.53 0.00 0.00 176.83 179.43 2poa n PHE 4 N -4.49 3.11 -2.46 2.24 1.16 -1.21 -4.93 117.46 110.89 2poa n PHE 4 Ca 0.13 -2.67 -0.42 0.00 -1.87 0.00 0.00 57.45 52.61 2poa n PHE 4 Cb 0.22 -0.82 -0.03 0.00 -1.61 0.00 0.00 39.48 37.24 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 -3.79 4.38 0.00 5.98 1.43 -1.22 -4.70 118.68 120.75 2poa s LEU 5 Ca 0.54 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2poa s LEU 5 Cb 0.44 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2poa s LEU 5 CO -0.18 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.58 2poa n GLY 6 N 3.08 1.69 3.80 -3.19 0.00 0.13 -4.92 105.19 105.77 2poa n GLY 6 Ca 0.08 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.46 4.41 -0.14 1.61 -2.85 -0.92 -0.73 119.74 119.66 2poa s LYS 7 Ca 0.00 1.02 0.01 0.00 -1.00 0.00 0.00 55.97 56.00 2poa s LYS 7 Cb 0.00 -3.06 0.02 0.00 -2.06 0.00 0.00 37.83 32.73 2poa s LYS 7 CO 0.00 0.48 -0.16 -1.58 0.10 0.00 0.00 175.35 174.18 2poa s TRP 8 N -1.34 2.24 -0.04 1.78 0.52 -1.25 -0.15 118.94 120.70 2poa s TRP 8 Ca 0.40 -1.18 0.01 0.00 0.02 0.00 0.00 56.10 55.35 2poa s TRP 8 Cb -0.20 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 2poa s TRP 8 CO 0.23 -0.61 -0.05 -1.59 0.02 0.00 0.00 176.95 174.96 2poa s LYS 9 N 1.19 2.72 0.04 4.98 -2.85 -0.78 -3.46 119.74 121.58 2poa s LYS 9 Ca -0.01 -0.60 -0.30 0.00 -1.00 0.00 0.00 55.97 54.06 2poa s LYS 9 Cb -0.14 -2.60 -0.08 0.00 -2.06 0.00 0.00 37.83 32.95 2poa s LYS 9 CO -0.06 0.64 1.69 -1.17 0.10 0.00 0.00 175.35 176.55 2poa s LEU 10 N -1.15 4.36 -0.16 2.77 2.96 -1.26 -0.46 118.68 125.75 2poa s LEU 10 Ca 0.15 2.46 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 2poa s LEU 10 Cb -0.11 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 2poa s LEU 10 CO 0.05 -0.91 0.21 -0.24 -1.32 0.00 0.00 176.35 174.14 2poa n SER 11 N 6.08 1.82 -4.12 3.68 2.88 0.68 -4.83 113.62 119.81 2poa n SER 11 Ca 0.17 0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.74 2poa n SER 11 Cb 0.41 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 63.23 2poa n SER 11 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2poa s GLU 12 N -2.55 0.77 -0.42 -1.46 4.04 -1.18 -5.00 118.70 112.90 2poa s GLU 12 Ca -0.23 -1.33 0.02 0.00 0.04 0.00 0.00 54.97 53.47 2poa s GLU 12 Cb 0.07 0.18 0.14 0.00 0.02 0.00 0.00 34.13 34.55 2poa s GLU 12 CO 0.73 -0.17 0.25 0.45 -1.84 0.00 0.00 175.26 174.69 2poa s SER 13 N -2.99 3.20 -0.03 0.83 0.15 -1.26 -4.02 113.70 109.58 2poa s SER 13 Ca 0.15 -2.59 -0.07 0.00 0.70 0.00 0.00 55.95 54.13 2poa s SER 13 Cb 0.08 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.57 2poa s SER 13 CO -0.04 -0.26 0.43 -0.74 1.20 0.00 0.00 173.24 173.83 2poa h HIS 14 N 6.63 -0.24 -0.12 3.44 2.76 -1.92 -3.37 115.15 122.33 2poa h HIS 14 Ca 0.06 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 2poa h HIS 14 Cb 0.93 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.94 2poa h HIS 14 CO 0.45 -0.15 -0.25 0.09 -1.30 0.00 0.00 177.93 176.78 2poa n ASN 15 N -3.78 2.22 -4.16 3.26 3.02 -1.26 -5.00 115.26 109.56 2poa n ASN 15 Ca -0.03 -3.64 -0.43 0.00 -0.03 0.00 0.00 54.58 50.45 2poa n ASN 15 Cb 0.10 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.13 3.98 0.13 3.10 7.35 -1.26 -4.21 117.46 125.43 2poa n PHE 16 Ca 0.23 -3.02 0.00 0.00 -0.76 0.00 0.00 57.45 53.90 2poa n PHE 16 Cb 0.79 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.39 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 -1.28 0.01 -2.13 5.75 -1.26 -4.56 116.55 118.62 2poa n ASP 17 Ca 0.42 0.49 0.12 0.00 -0.01 0.00 0.00 54.79 55.81 2poa n ASP 17 Cb 0.40 1.35 0.20 0.00 -1.03 0.00 0.00 41.12 42.04 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2poa n ALA 18 N -3.22 3.48 -0.25 2.12 0.00 -1.26 -4.00 120.51 117.38 2poa n ALA 18 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2poa n ALA 18 Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2poa n ALA 18 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2poa h VAL 19 N 0.00 0.09 0.00 0.00 3.04 -1.94 0.18 116.25 117.62 2poa h VAL 19 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2poa h VAL 19 Cb 0.56 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 29.93 2poa h VAL 19 CO 0.00 0.00 -0.88 0.24 -1.01 0.00 0.00 177.57 175.92 2poa h MET 20 N -0.15 0.00 -0.48 4.17 2.86 -1.95 -3.31 114.93 116.07 2poa h MET 20 Ca 0.22 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2poa h MET 20 Cb 0.56 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 2poa h MET 20 CO -0.76 0.03 0.29 0.66 1.06 0.00 0.00 176.91 178.20 2poa h SER 21 N 0.00 0.49 0.29 1.22 4.64 -1.60 0.34 113.55 118.93 2poa h SER 21 Ca -0.01 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2poa h SER 21 Cb 1.05 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2poa h SER 21 CO 0.00 0.35 -0.31 0.07 -0.87 0.00 0.00 176.83 176.08 2poa h LYS 22 N 0.59 0.03 0.44 4.77 5.09 -0.80 -2.50 116.57 124.19 2poa h LYS 22 Ca 0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 60.90 2poa h LYS 22 Cb -0.02 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.32 2poa h LYS 22 CO -0.07 0.33 -0.21 1.25 -2.09 0.00 0.00 179.45 178.66 2poa h LEU 23 N 0.02 -0.50 0.00 7.07 5.85 -1.63 -3.49 115.31 122.64 2poa h LEU 23 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2poa h LEU 23 Cb 0.55 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2poa h LEU 23 CO 0.04 -0.33 0.00 0.61 -0.34 0.00 0.00 178.44 178.42 2poa n GLY 24 N -1.23 -0.34 3.87 3.75 0.00 0.08 -4.54 105.19 106.79 2poa n GLY 24 Ca -0.11 -0.09 -0.35 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 5.20 0.41 1.61 1.01 -1.05 -4.98 120.40 122.61 2poa s VAL 25 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 2poa s VAL 25 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 2poa s VAL 25 CO 0.00 0.36 0.87 -0.44 0.00 0.00 0.00 175.10 175.90 2poa s SER 26 N -1.65 6.77 0.00 3.32 0.01 -1.26 -4.82 113.70 116.08 2poa s SER 26 Ca 0.29 1.48 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2poa s SER 26 Cb -0.14 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2poa s SER 26 CO 0.16 -0.37 1.26 0.79 0.41 0.00 0.00 173.24 175.49 2poa n TRP 27 N -0.84 0.00 -0.08 2.43 7.02 -1.26 -1.72 117.44 122.99 2poa n TRP 27 Ca 0.05 -0.63 -0.14 0.00 -1.02 0.00 0.00 57.50 55.76 2poa n TRP 27 Cb 0.54 -0.39 -0.05 0.00 -2.42 0.00 0.00 31.31 28.99 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 1.57 1.36 0.42 6.99 0.00 -1.26 -4.79 120.51 124.80 2poa n ALA 28 Ca 0.00 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 52.80 2poa n ALA 28 Cb 0.33 0.12 0.29 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.82 0.00 0.00 0.00 1.35 -1.74 -3.26 112.91 108.44 2poa h THR 29 Ca -0.23 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2poa h THR 29 Cb 1.10 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2poa h THR 29 CO -0.14 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 173.99 2poa n ARG 30 N -2.70 0.02 -0.06 4.72 0.00 -0.70 -2.16 116.66 115.79 2poa n ARG 30 Ca 0.05 0.28 -0.08 0.00 -0.00 0.00 0.00 57.85 58.10 2poa n ARG 30 Cb 0.48 -1.54 -0.08 0.00 0.00 0.00 0.00 32.46 31.32 2poa n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2poa n GLN 31 N -1.59 1.22 -0.25 -0.14 0.00 -1.25 -4.68 117.38 110.69 2poa n GLN 31 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 57.00 57.04 2poa n GLN 31 Cb 0.17 -1.29 0.13 0.00 0.00 0.00 0.00 30.24 29.26 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2poa h ILE 32 N 0.00 1.24 -0.53 -0.39 5.03 -1.59 -2.30 117.51 118.97 2poa h ILE 32 Ca -0.31 -0.71 0.11 0.00 -0.12 0.00 0.00 64.86 63.83 2poa h ILE 32 Cb 1.59 0.31 -0.10 0.00 -3.03 0.00 0.00 36.82 35.58 2poa h ILE 32 CO -0.02 0.30 -0.11 1.23 -0.68 0.00 0.00 178.15 178.87 2poa h GLY 33 N 1.12 0.42 -3.73 5.37 0.00 -1.67 0.85 103.07 105.42 2poa h GLY 33 Ca 0.26 0.16 -0.50 0.00 0.00 0.00 0.00 47.33 47.24 2poa h GLY 33 CO -0.03 -0.20 0.65 1.16 0.00 0.00 0.00 176.54 178.12 2poa n ASN 34 N -5.36 6.86 0.12 0.19 0.23 -1.09 -4.55 115.26 111.65 2poa n ASN 34 Ca 0.06 -3.43 0.00 0.00 -0.53 0.00 0.00 54.58 50.68 2poa n ASN 34 Cb 0.29 -1.00 0.00 0.00 -2.08 0.00 0.00 39.78 36.99 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 -0.35 0.00 -3.41 5.53 -1.04 -0.88 -5.01 114.28 109.10 2poa n THR 35 Ca 0.47 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 62.04 2poa n THR 35 Cb 0.68 -0.13 -0.08 0.00 -1.82 0.00 0.00 70.33 68.98 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 -1.57 5.14 -0.41 12.58 1.01 0.26 -5.03 120.40 132.39 2poa s VAL 36 Ca 0.00 -1.06 -0.37 0.00 0.00 0.00 0.00 61.98 60.55 2poa s VAL 36 Cb 0.00 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 32.16 2poa s VAL 36 CO 0.00 -0.55 1.54 1.07 0.00 0.00 0.00 175.10 177.17 2poa n THR 37 N 5.17 0.00 -1.84 3.92 5.66 -1.26 -4.53 114.28 121.40 2poa n THR 37 Ca -0.12 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.47 2poa n THR 37 Cb 0.44 -0.41 -0.03 0.00 -1.55 0.00 0.00 70.33 68.78 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 3.75 2.94 -1.49 1.09 0.04 -1.26 -4.81 135.00 135.26 2poa s PRO 38 Ca 0.93 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2poa s PRO 38 Cb -1.23 -4.34 0.01 0.00 0.04 0.00 0.00 34.50 28.98 2poa s PRO 38 CO 0.60 -2.32 2.49 2.41 0.04 0.00 0.00 177.00 180.22 2poa n THR 39 N 7.56 4.06 -2.64 1.26 -1.04 -1.26 -4.71 114.28 117.52 2poa n THR 39 Ca 0.26 -3.13 -0.42 0.00 -2.04 0.00 0.00 64.05 58.73 2poa n THR 39 Cb 0.49 -2.53 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 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 2.07 4.08 -0.54 12.58 -7.23 -1.22 -2.89 120.40 127.24 2poa s VAL 40 Ca 0.56 -0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 59.68 2poa s VAL 40 Cb 0.15 -5.00 0.13 0.00 0.56 0.00 0.00 36.38 32.23 2poa s VAL 40 CO -0.07 -1.85 0.50 -0.89 -0.31 0.00 0.00 175.10 172.48 2poa s THR 41 N 4.53 5.19 -0.34 5.32 2.01 -1.25 -3.92 115.64 127.18 2poa s THR 41 Ca 0.43 -1.51 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 2poa s THR 41 Cb -0.01 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2poa s THR 41 CO -0.09 -0.87 0.70 -0.36 -0.69 0.00 0.00 174.62 173.32 2poa s PHE 42 N 1.59 3.16 -0.09 4.92 0.08 0.09 -0.57 117.98 127.17 2poa s PHE 42 Ca 0.03 0.53 -0.05 0.00 0.12 0.00 0.00 56.93 57.56 2poa s PHE 42 Cb -0.30 -3.20 0.04 0.00 -0.57 0.00 0.00 43.02 38.99 2poa s PHE 42 CO 0.03 -0.62 0.20 0.95 -0.10 0.00 0.00 175.22 175.68 2poa s THR 43 N 2.85 -0.04 -0.53 0.64 -4.23 -0.63 -0.70 115.64 113.01 2poa s THR 43 Ca 0.28 0.13 -0.24 0.00 -1.18 0.00 0.00 61.69 60.68 2poa s THR 43 Cb -0.14 -0.31 0.04 0.00 1.34 0.00 0.00 72.50 73.42 2poa s THR 43 CO 0.14 0.05 0.92 0.00 -0.54 0.00 0.00 174.62 175.20 2poa s MET 44 N 1.02 3.37 -1.11 3.99 0.23 -1.26 0.15 119.30 125.69 2poa s MET 44 Ca -0.08 -0.18 -0.13 0.00 -1.03 0.00 0.00 55.69 54.28 2poa s MET 44 Cb -0.09 -4.02 0.21 0.00 -1.53 0.00 0.00 34.83 29.39 2poa s MET 44 CO -0.06 -1.40 1.23 0.34 -2.03 0.00 0.00 175.02 173.10 2poa s ASP 45 N 2.67 7.07 0.00 -1.18 2.15 -0.05 -4.87 116.67 122.46 2poa s ASP 45 Ca 0.31 -3.04 0.00 0.00 0.43 0.00 0.00 52.55 50.25 2poa s ASP 45 Cb -0.12 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2poa s ASP 45 CO 0.21 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 2poa n GLY 46 N 3.81 1.60 0.09 2.66 0.00 -1.26 -3.36 105.19 108.74 2poa n GLY 46 Ca 0.29 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 2poa n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2poa h ASP 47 N 0.00 0.00 -5.11 1.61 3.58 -2.01 -3.51 116.42 110.97 2poa h ASP 47 Ca 0.00 -0.56 -0.14 0.00 0.42 0.00 0.00 57.03 56.75 2poa h ASP 47 Cb 0.00 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.89 2poa h ASP 47 CO 0.00 1.34 -0.69 -1.59 -2.88 0.00 0.00 179.24 175.42 2poa s LYS 48 N -2.31 0.62 0.18 0.28 -2.85 -1.21 -5.08 119.74 109.37 2poa s LYS 48 Ca -0.26 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.23 2poa s LYS 48 Cb 0.04 0.13 -0.07 0.00 -2.06 0.00 0.00 37.83 35.86 2poa s LYS 48 CO 0.58 -0.09 1.00 0.00 0.10 0.00 0.00 175.35 176.93 2poa s MET 49 N -3.68 4.72 -0.13 1.78 0.23 -0.94 -0.87 119.30 120.41 2poa s MET 49 Ca 0.06 1.55 -0.01 0.00 -1.03 0.00 0.00 55.69 56.26 2poa s MET 49 Cb 0.06 -3.31 0.04 0.00 -1.53 0.00 0.00 34.83 30.09 2poa s MET 49 CO -0.08 0.27 -0.03 0.99 -2.03 0.00 0.00 175.02 174.14 2poa s THR 50 N -0.50 0.76 -0.52 3.16 2.01 0.12 -1.67 115.64 119.00 2poa s THR 50 Ca 0.46 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 61.89 2poa s THR 50 Cb -0.26 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.33 2poa s THR 50 CO 0.33 0.17 1.04 -0.04 -0.69 0.00 0.00 174.62 175.43 2poa s MET 51 N 1.80 3.51 -1.25 4.92 -1.94 -0.66 -1.61 119.30 124.06 2poa s MET 51 Ca 0.03 0.14 -0.08 0.00 -1.71 0.00 0.00 55.69 54.07 2poa s MET 51 Cb -0.14 -3.98 0.19 0.00 2.01 0.00 0.00 34.83 32.91 2poa s MET 51 CO -0.07 -1.46 1.86 1.28 -0.01 0.00 0.00 175.02 176.62 2poa n LEU 52 N 7.74 6.74 -4.59 -0.03 4.77 0.26 -1.84 117.00 130.05 2poa n LEU 52 Ca 0.07 -4.76 -0.42 0.00 -0.03 0.00 0.00 56.01 50.86 2poa n LEU 52 Cb 0.48 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 2poa n LEU 52 CO 0.67 1.49 1.18 -0.89 -1.33 0.00 0.00 177.39 178.51 2poa s THR 53 N -0.27 3.94 -0.78 -5.08 2.01 -0.79 -3.92 115.64 110.75 2poa s THR 53 Ca 0.39 0.89 0.02 0.00 0.31 0.00 0.00 61.69 63.30 2poa s THR 53 Cb 0.10 -4.46 0.19 0.00 0.01 0.00 0.00 72.50 68.34 2poa s THR 53 CO 0.01 -1.06 0.61 -1.61 -0.69 0.00 0.00 174.62 171.88 2poa s GLU 54 N 5.05 2.78 0.39 4.92 0.41 -1.14 -0.24 118.70 130.88 2poa s GLU 54 Ca 0.52 -3.33 0.08 0.00 -0.41 0.00 0.00 54.97 51.83 2poa s GLU 54 Cb -0.10 -3.63 -0.03 0.00 -1.78 0.00 0.00 34.13 28.58 2poa s GLU 54 CO 0.29 -1.28 0.30 -1.12 -0.49 0.00 0.00 175.26 172.96 2poa s SER 55 N -0.95 4.94 0.16 -0.19 0.01 -0.56 -4.07 113.70 113.05 2poa s SER 55 Ca 0.26 -0.76 -0.15 0.00 1.31 0.00 0.00 55.95 56.61 2poa s SER 55 Cb -0.06 -0.65 0.09 0.00 0.21 0.00 0.00 66.02 65.62 2poa s SER 55 CO -0.15 -0.54 1.74 0.74 0.41 0.00 0.00 173.24 175.45 2poa h THR 56 N 1.20 0.86 0.03 1.44 2.02 -1.93 -2.81 112.91 113.72 2poa h THR 56 Ca -0.42 -0.09 -0.36 0.00 0.77 0.00 0.00 66.41 66.30 2poa h THR 56 Cb 1.26 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2poa h THR 56 CO 0.60 0.05 -2.04 0.49 0.37 0.00 0.00 175.52 175.00 2poa n PHE 57 N -5.04 0.61 -3.00 3.16 3.72 -1.26 -4.64 117.46 111.01 2poa n PHE 57 Ca 0.02 0.19 -0.44 0.00 -0.05 0.00 0.00 57.45 57.17 2poa n PHE 57 Cb 0.15 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 2poa n PHE 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2poa n LYS 58 N -3.90 3.60 -3.12 -1.08 5.02 -1.25 -4.50 118.16 112.93 2poa n LYS 58 Ca -0.41 -4.10 -0.45 0.00 -2.02 0.00 0.00 58.31 51.33 2poa n LYS 58 Cb 0.89 -2.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.09 2poa n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2poa s ASN 59 N 1.46 6.70 -0.20 4.39 4.22 -1.06 -1.50 114.94 128.96 2poa s ASN 59 Ca 0.37 -2.37 -0.16 0.00 -2.14 0.00 0.00 52.86 48.57 2poa s ASN 59 Cb -0.03 -2.31 0.06 0.00 1.28 0.00 0.00 41.25 40.25 2poa s ASN 59 CO -0.01 -0.82 0.52 -1.48 -2.04 0.00 0.00 177.10 173.26 2poa s LEU 60 N 1.44 -0.15 0.01 3.54 0.05 0.67 -4.97 118.68 119.28 2poa s LEU 60 Ca 0.26 1.07 -0.14 0.00 0.05 0.00 0.00 54.13 55.37 2poa s LEU 60 Cb -0.07 1.76 -0.06 0.00 -2.05 0.00 0.00 46.19 45.77 2poa s LEU 60 CO -0.09 -0.19 0.40 -0.94 -0.55 0.00 0.00 176.35 174.98 2poa s SER 61 N 0.74 6.77 -0.06 1.48 1.04 -1.26 -1.88 113.70 120.52 2poa s SER 61 Ca -0.04 0.93 -0.00 0.00 0.48 0.00 0.00 55.95 57.32 2poa s SER 61 Cb -0.05 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2poa s SER 61 CO -0.05 0.30 -0.03 0.68 0.98 0.00 0.00 173.24 175.12 2poa s VAL 62 N -1.13 0.50 -0.12 5.02 -7.23 -0.77 -4.99 120.40 111.68 2poa s VAL 62 Ca 0.25 -0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.38 2poa s VAL 62 Cb -0.16 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2poa s VAL 62 CO 0.14 0.25 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.22 2poa s THR 63 N 1.42 3.71 -0.07 5.32 2.01 -1.26 -1.66 115.64 125.11 2poa s THR 63 Ca -0.03 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 2poa s THR 63 Cb -0.13 -2.57 0.08 0.00 0.01 0.00 0.00 72.50 69.89 2poa s THR 63 CO -0.03 0.54 0.75 0.72 -0.69 0.00 0.00 174.62 175.91 2poa s PHE 64 N -0.08 -0.59 0.32 4.92 -0.12 -0.67 -4.90 117.98 116.85 2poa s PHE 64 Ca 0.01 1.00 0.10 0.00 -0.05 0.00 0.00 56.93 57.99 2poa s PHE 64 Cb -0.13 0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 42.62 2poa s PHE 64 CO 0.03 -0.55 -0.13 -1.59 -0.05 0.00 0.00 175.22 172.93 2poa s LYS 65 N -1.20 1.74 -1.07 1.99 -2.85 -1.26 -2.21 119.74 114.88 2poa s LYS 65 Ca -0.09 -1.86 -0.21 0.00 -1.00 0.00 0.00 55.97 52.80 2poa s LYS 65 Cb -0.00 -1.67 -0.09 0.00 -2.06 0.00 0.00 37.83 34.01 2poa s LYS 65 CO 0.08 0.19 1.93 1.97 0.10 0.00 0.00 175.35 179.62 2poa n PHE 66 N -0.71 2.71 0.00 1.78 -1.74 -1.26 -3.06 117.46 115.17 2poa n PHE 66 Ca -0.05 -1.84 0.00 0.00 -0.56 0.00 0.00 57.45 55.00 2poa n PHE 66 Cb 0.62 -2.30 0.00 0.00 1.52 0.00 0.00 39.48 39.32 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 5.19 0.00 3.65 4.97 0.00 -1.15 -4.89 105.19 112.97 2poa n GLY 67 Ca 0.47 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 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 4.15 -0.24 1.61 0.41 -1.17 -4.81 118.70 118.65 2poa s GLU 68 Ca 0.00 1.21 -0.29 0.00 -0.41 0.00 0.00 54.97 55.48 2poa s GLU 68 Cb 0.00 -3.70 -0.01 0.00 -1.78 0.00 0.00 34.13 28.65 2poa s GLU 68 CO 0.00 -0.79 1.27 -1.83 -0.49 0.00 0.00 175.26 173.42 2poa s GLU 69 N 3.47 4.08 0.39 1.61 -1.05 -1.26 -4.25 118.70 121.68 2poa s GLU 69 Ca 0.45 1.44 -0.06 0.00 -0.15 0.00 0.00 54.97 56.65 2poa s GLU 69 Cb -0.14 -3.81 -0.05 0.00 -0.44 0.00 0.00 34.13 29.69 2poa s GLU 69 CO 0.11 -0.91 0.69 -0.59 0.95 0.00 0.00 175.26 175.52 2poa s PHE 70 N 3.91 3.50 -0.05 4.83 -0.71 -1.05 -4.79 117.98 123.62 2poa s PHE 70 Ca 0.55 0.80 -0.03 0.00 -1.04 0.00 0.00 56.93 57.20 2poa s PHE 70 Cb -0.19 -2.25 -0.04 0.00 -1.21 0.00 0.00 43.02 39.33 2poa s PHE 70 CO 0.18 -0.06 0.11 0.16 -1.34 0.00 0.00 175.22 174.27 2poa s ASP 71 N -3.54 5.95 -0.22 1.98 -4.77 -1.26 -1.14 116.67 113.68 2poa s ASP 71 Ca 0.47 0.28 -0.05 0.00 -3.30 0.00 0.00 52.55 49.95 2poa s ASP 71 Cb -0.10 -1.81 -0.02 0.00 -1.09 0.00 0.00 42.92 39.90 2poa s ASP 71 CO 0.36 0.32 -0.01 -1.83 0.70 0.00 0.00 175.17 174.71 2poa s GLU 72 N -1.46 3.50 -0.27 2.11 -1.05 0.23 -4.96 118.70 116.80 2poa s GLU 72 Ca 0.20 -0.56 -0.16 0.00 -0.15 0.00 0.00 54.97 54.30 2poa s GLU 72 Cb -0.12 -3.09 -0.03 0.00 -0.44 0.00 0.00 34.13 30.44 2poa s GLU 72 CO 0.11 -0.13 0.40 0.21 0.95 0.00 0.00 175.26 176.79 2poa s LYS 73 N 1.36 4.00 0.15 -4.83 2.20 -1.26 -1.59 119.74 119.77 2poa s LYS 73 Ca 0.04 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.80 2poa s LYS 73 Cb -0.15 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 2poa s LYS 73 CO -0.00 -0.31 -0.09 0.95 -0.36 0.00 0.00 175.35 175.54 2poa s THR 74 N 2.12 3.32 -1.48 3.43 -4.23 -0.22 -4.97 115.64 113.59 2poa s THR 74 Ca 0.16 -1.48 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 2poa s THR 74 Cb -0.16 -2.61 0.22 0.00 1.34 0.00 0.00 72.50 71.30 2poa s THR 74 CO 0.10 -0.03 1.28 -0.24 -0.54 0.00 0.00 174.62 175.19 2poa n SER 75 N 0.27 0.00 -0.09 3.99 2.88 -1.26 -1.31 113.62 118.10 2poa n SER 75 Ca -0.12 0.07 0.03 0.00 -1.33 0.00 0.00 58.87 57.52 2poa n SER 75 Cb 0.54 -0.26 0.35 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.63 0.00 -3.46 3.32 -1.93 -3.42 116.42 111.57 2poa h ASP 76 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2poa h ASP 76 Cb 0.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2poa h ASP 76 CO 0.00 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.59 2poa n GLY 77 N -1.45 0.58 3.45 2.75 0.00 -0.43 -4.19 105.19 105.90 2poa n GLY 77 Ca 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.43 0.55 -0.34 1.61 1.81 -1.25 -4.97 118.95 116.79 2poa s ARG 78 Ca 0.00 1.00 -0.22 0.00 -1.72 0.00 0.00 55.73 54.79 2poa s ARG 78 Cb 0.00 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.57 2poa s ARG 78 CO 0.00 -0.15 0.71 1.21 -0.68 0.00 0.00 175.30 176.39 2poa s ASN 79 N 1.49 6.51 -0.01 0.23 3.84 -1.26 -1.06 114.94 124.68 2poa s ASN 79 Ca -0.10 0.33 0.05 0.00 0.21 0.00 0.00 52.86 53.36 2poa s ASN 79 Cb -0.07 -2.36 -0.01 0.00 -0.55 0.00 0.00 41.25 38.26 2poa s ASN 79 CO -0.16 -0.63 -0.17 0.68 -2.79 0.00 0.00 177.10 174.04 2poa s VAL 80 N 2.87 1.32 0.49 -5.21 -7.23 -0.62 -4.76 120.40 107.25 2poa s VAL 80 Ca 0.28 -0.71 0.08 0.00 -1.81 0.00 0.00 61.98 59.82 2poa s VAL 80 Cb -0.14 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.74 2poa s VAL 80 CO 0.15 0.37 0.62 -1.59 -0.31 0.00 0.00 175.10 174.35 2poa s LYS 81 N -0.37 2.54 -0.26 4.82 -2.85 -0.87 -0.60 119.74 122.15 2poa s LYS 81 Ca 0.06 -1.50 -0.05 0.00 -1.00 0.00 0.00 55.97 53.47 2poa s LYS 81 Cb -0.07 -2.62 0.13 0.00 -2.06 0.00 0.00 37.83 33.22 2poa s LYS 81 CO -0.01 -0.53 0.51 -1.12 0.10 0.00 0.00 175.35 174.30 2poa s SER 82 N -4.45 -0.62 -0.42 0.03 0.01 -0.29 -0.50 113.70 107.45 2poa s SER 82 Ca 0.55 0.94 -0.19 0.00 1.31 0.00 0.00 55.95 58.57 2poa s SER 82 Cb -0.07 1.72 0.02 0.00 0.21 0.00 0.00 66.02 67.90 2poa s SER 82 CO 0.34 -0.25 0.52 0.54 0.41 0.00 0.00 173.24 174.79 2poa s VAL 83 N 2.73 4.99 -0.20 3.43 0.11 0.01 -2.54 120.40 128.93 2poa s VAL 83 Ca 0.06 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.82 2poa s VAL 83 Cb -0.13 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 2poa s VAL 83 CO -0.17 -0.47 0.36 -0.69 -3.33 0.00 0.00 175.10 170.80 2poa s VAL 84 N 2.40 5.23 -0.15 2.04 1.01 -1.26 -1.96 120.40 127.71 2poa s VAL 84 Ca 0.16 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.80 2poa s VAL 84 Cb -0.16 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2poa s VAL 84 CO 0.16 0.28 -0.19 -0.70 0.00 0.00 0.00 175.10 174.64 2poa s GLU 85 N 1.18 3.09 -0.28 2.72 -6.30 -0.80 -2.94 118.70 115.37 2poa s GLU 85 Ca 0.18 -0.81 -0.03 0.00 -2.50 0.00 0.00 54.97 51.80 2poa s GLU 85 Cb -0.14 -2.51 0.03 0.00 0.00 0.00 0.00 34.13 31.51 2poa s GLU 85 CO 0.07 -0.01 -0.00 0.21 0.02 0.00 0.00 175.26 175.55 2poa s LYS 86 N 0.84 2.69 0.00 4.30 2.36 -1.26 0.25 119.74 128.91 2poa s LYS 86 Ca -0.06 -1.09 0.00 0.00 -2.55 0.00 0.00 55.97 52.27 2poa s LYS 86 Cb -0.15 -3.16 0.00 0.00 -1.05 0.00 0.00 37.83 33.47 2poa s LYS 86 CO -0.02 -0.52 0.00 -1.71 1.55 0.00 0.00 175.35 174.66 2poa n ASN 87 N 4.69 0.00 -4.92 1.43 2.85 0.26 -4.91 115.26 114.66 2poa n ASN 87 Ca -0.15 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.06 2poa n ASN 87 Cb 0.45 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.52 2poa n ASN 87 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2poa s SER 88 N -1.00 5.32 0.00 1.20 0.01 -1.24 -4.97 113.70 113.02 2poa s SER 88 Ca 0.00 0.59 0.14 0.00 1.31 0.00 0.00 55.95 58.00 2poa s SER 88 Cb 0.00 -1.46 0.86 0.00 0.21 0.00 0.00 66.02 65.63 2poa s SER 88 CO 0.00 -1.25 1.33 -0.62 0.41 0.00 0.00 173.24 173.11 2poa n GLU 89 N -2.68 0.65 -2.68 12.44 4.71 -1.26 -1.13 120.64 130.68 2poa n GLU 89 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.07 2poa n GLU 89 Cb 0.59 -1.35 0.02 0.00 -1.01 0.00 0.00 31.44 29.69 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 -0.85 2.05 -3.19 1.62 3.41 -1.26 -2.26 113.62 113.15 2poa n SER 90 Ca 0.11 -2.94 -0.11 0.00 -0.26 0.00 0.00 58.87 55.66 2poa n SER 90 Cb 0.05 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.14 0.82 0.25 4.33 2.36 -0.29 -3.62 119.74 120.46 2poa s LYS 91 Ca 0.33 -0.94 0.11 0.00 -2.55 0.00 0.00 55.97 52.92 2poa s LYS 91 Cb 0.43 -0.46 -0.05 0.00 -1.05 0.00 0.00 37.83 36.71 2poa s LYS 91 CO -0.02 -1.25 -0.16 -1.17 1.55 0.00 0.00 175.35 174.30 2poa s LEU 92 N 1.21 2.73 -0.33 5.43 0.20 -0.52 -0.58 118.68 126.81 2poa s LEU 92 Ca 0.22 -0.87 -0.01 0.00 0.69 0.00 0.00 54.13 54.15 2poa s LEU 92 Cb -0.07 -1.30 0.12 0.00 -0.43 0.00 0.00 46.19 44.52 2poa s LEU 92 CO -0.06 0.05 0.17 -0.89 -0.29 0.00 0.00 176.35 175.34 2poa s THR 93 N -2.22 0.25 -1.20 3.68 2.01 0.14 0.35 115.64 118.64 2poa s THR 93 Ca 0.28 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.79 2poa s THR 93 Cb -0.06 -1.20 0.08 0.00 0.01 0.00 0.00 72.50 71.33 2poa s THR 93 CO 0.15 -0.86 2.53 1.67 -0.69 0.00 0.00 174.62 177.42 2poa n GLN 94 N 4.49 4.15 -1.69 4.92 7.27 -1.25 -1.91 117.38 133.34 2poa n GLN 94 Ca 0.04 -3.12 -0.41 0.00 0.07 0.00 0.00 57.00 53.58 2poa n GLN 94 Cb 0.39 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.45 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 -0.93 3.12 0.00 1.69 2.01 -0.83 -4.50 115.64 116.20 2poa s THR 95 Ca 0.57 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2poa s THR 95 Cb 0.22 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2poa s THR 95 CO -0.11 -0.15 1.10 -1.10 -0.69 0.00 0.00 174.62 173.67 2poa s GLN 96 N 6.84 4.47 -0.46 4.92 -0.21 -1.26 -0.81 119.66 133.15 2poa s GLN 96 Ca 0.94 1.58 0.02 0.00 0.02 0.00 0.00 55.36 57.92 2poa s GLN 96 Cb -0.25 -3.44 0.12 0.00 1.00 0.00 0.00 33.01 30.44 2poa s GLN 96 CO 0.31 -0.21 0.20 0.08 -2.12 0.00 0.00 175.29 173.55 2poa s VAL 97 N 1.32 2.72 0.53 1.09 1.01 0.34 -1.45 120.40 125.96 2poa s VAL 97 Ca 0.55 -2.78 0.06 0.00 0.00 0.00 0.00 61.98 59.81 2poa s VAL 97 Cb -0.24 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2poa s VAL 97 CO 0.26 -0.73 0.41 -1.81 0.00 0.00 0.00 175.10 173.24 2poa s ASP 98 N 0.52 4.69 0.00 3.32 1.11 -1.26 -2.05 116.67 123.00 2poa s ASP 98 Ca 0.14 -1.16 0.00 0.00 0.18 0.00 0.00 52.55 51.71 2poa s ASP 98 Cb -0.22 0.26 0.00 0.00 1.07 0.00 0.00 42.92 44.02 2poa s ASP 98 CO -0.04 -1.04 0.94 -0.81 1.18 0.00 0.00 175.17 175.40 2poa n PRO 99 N -1.74 0.00 -0.00 8.23 -0.04 -1.26 -1.66 135.00 138.52 2poa n PRO 99 Ca 0.00 0.44 0.05 0.00 -0.04 0.00 0.00 63.50 63.95 2poa n PRO 99 Cb 0.64 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.44 3.31 -1.72 0.54 4.76 -1.26 -5.14 118.16 117.21 2poa n LYS 100 Ca 0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2poa n LYS 100 Cb 0.00 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 2poa n LYS 100 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2poa n ASN 101 N -1.32 -6.95 -4.85 4.39 5.15 -0.67 -5.04 115.26 105.97 2poa n ASN 101 Ca 0.01 1.08 -0.33 0.00 -0.60 0.00 0.00 54.58 54.74 2poa n ASN 101 Cb 0.17 -3.83 -0.06 0.00 -0.53 0.00 0.00 39.78 35.53 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2poa s THR 102 N -0.38 4.80 1.01 -0.44 2.01 -0.53 -4.86 115.64 117.26 2poa s THR 102 Ca 0.00 0.79 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 2poa s THR 102 Cb 0.00 -3.67 0.19 0.00 0.01 0.00 0.00 72.50 69.03 2poa s THR 102 CO 0.00 0.01 1.11 -0.89 -0.69 0.00 0.00 174.62 174.16 2poa s THR 103 N -1.74 1.95 -0.47 -0.82 2.01 -1.22 -4.43 115.64 110.92 2poa s THR 103 Ca 0.46 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 2poa s THR 103 Cb -0.13 -2.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.73 2poa s THR 103 CO 0.20 0.00 2.38 1.33 -0.69 0.00 0.00 174.62 177.83 2poa n VAL 104 N -4.16 0.06 -2.71 3.82 0.24 -1.26 -4.46 118.33 109.86 2poa n VAL 104 Ca 0.07 -0.56 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 2poa n VAL 104 Cb 0.58 -2.31 0.01 0.00 -1.47 0.00 0.00 33.84 30.65 2poa n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2poa n ILE 105 N 7.77 4.84 -1.03 1.34 -0.00 -1.26 -4.58 119.36 126.44 2poa n ILE 105 Ca 0.40 -5.19 -0.34 0.00 -0.00 0.00 0.00 62.75 57.62 2poa n ILE 105 Cb 0.42 -2.23 0.12 0.00 -0.00 0.00 0.00 39.64 37.95 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 2.36 1.43 -3.49 7.28 0.24 -1.23 -3.93 118.33 120.98 2poa n VAL 106 Ca 0.32 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.34 62.19 2poa n VAL 106 Cb 0.35 -0.99 -0.13 0.00 -1.47 0.00 0.00 33.84 31.59 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 -3.84 0.21 0.18 7.34 1.70 0.16 -2.77 118.95 121.92 2poa s ARG 107 Ca 0.68 -0.09 0.02 0.00 -0.47 0.00 0.00 55.73 55.87 2poa s ARG 107 Cb -0.28 -1.14 0.02 0.00 -0.57 0.00 0.00 34.95 32.98 2poa s ARG 107 CO 0.56 -0.84 0.15 -1.91 -1.08 0.00 0.00 175.30 172.18 2poa n GLU 108 N 5.30 1.18 -3.85 3.89 2.13 -0.16 -1.44 120.64 127.68 2poa n GLU 108 Ca -0.05 -1.08 -0.13 0.00 0.66 0.00 0.00 57.16 56.56 2poa n GLU 108 Cb 0.47 0.09 -0.14 0.00 0.27 0.00 0.00 31.44 32.12 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2poa s VAL 109 N -0.75 -0.01 -0.47 6.31 0.11 -1.24 -1.83 120.40 122.52 2poa s VAL 109 Ca 0.11 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2poa s VAL 109 Cb -0.01 -0.03 0.42 0.00 -1.53 0.00 0.00 36.38 35.23 2poa s VAL 109 CO 0.07 0.02 1.31 0.47 -3.33 0.00 0.00 175.10 173.64 2poa n ASP 110 N 3.30 5.32 -1.08 3.54 9.92 -0.47 -4.87 116.55 132.21 2poa n ASP 110 Ca -0.15 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.36 2poa n ASP 110 Cb 0.58 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 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 -0.06 4.05 0.44 0.00 -1.26 -4.51 105.19 103.27 2poa n GLY 111 Ca 0.44 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.64 -2.34 -3.51 1.61 8.00 -1.26 -4.95 116.55 113.45 2poa n ASP 112 Ca 0.00 -0.85 -0.29 0.00 0.71 0.00 0.00 54.79 54.36 2poa n ASP 112 Cb 0.28 -1.99 -0.13 0.00 -0.02 0.00 0.00 41.12 39.26 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 -3.05 0.16 -0.69 -3.53 -1.32 -1.26 -3.06 115.64 102.89 2poa s THR 113 Ca 0.65 -1.40 -0.27 0.00 -1.21 0.00 0.00 61.69 59.46 2poa s THR 113 Cb -0.37 -1.13 0.01 0.00 -1.51 0.00 0.00 72.50 69.50 2poa s THR 113 CO 0.80 -0.88 1.52 -0.04 -2.21 0.00 0.00 174.62 173.81 2poa s MET 114 N 1.42 2.96 -0.72 7.08 1.00 0.35 -1.36 119.30 130.04 2poa s MET 114 Ca 0.14 0.09 -0.24 0.00 0.00 0.00 0.00 55.69 55.68 2poa s MET 114 Cb -0.20 -4.28 0.05 0.00 0.00 0.00 0.00 34.83 30.40 2poa s MET 114 CO -0.13 -2.39 1.12 0.21 0.00 0.00 0.00 175.02 173.82 2poa s LYS 115 N 6.27 3.18 -0.44 2.03 2.20 -0.76 -2.43 119.74 129.78 2poa s LYS 115 Ca 0.48 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.51 2poa s LYS 115 Cb -0.10 -4.27 0.12 0.00 -1.51 0.00 0.00 37.83 32.07 2poa s LYS 115 CO 0.17 -1.97 0.17 -0.08 -0.36 0.00 0.00 175.35 173.27 2poa s THR 116 N 4.76 2.34 -0.48 3.43 -1.32 0.85 -0.99 115.64 124.23 2poa s THR 116 Ca 0.29 -2.82 -0.28 0.00 -1.21 0.00 0.00 61.69 57.67 2poa s THR 116 Cb -0.12 -2.67 -0.01 0.00 -1.51 0.00 0.00 72.50 68.19 2poa s THR 116 CO 0.11 -0.72 1.77 -0.89 -2.21 0.00 0.00 174.62 172.67 2poa s THR 117 N 0.29 3.48 -0.53 5.08 2.01 -1.11 -2.67 115.64 122.19 2poa s THR 117 Ca 0.14 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 2poa s THR 117 Cb -0.23 -3.88 0.08 0.00 0.01 0.00 0.00 72.50 68.48 2poa s THR 117 CO -0.04 -0.71 0.61 0.54 -0.69 0.00 0.00 174.62 174.32 2poa s VAL 118 N 7.69 4.93 0.18 3.82 0.11 -0.08 -3.53 120.40 133.52 2poa s VAL 118 Ca 0.71 -0.78 0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2poa s VAL 118 Cb -0.16 -4.33 -0.04 0.00 -1.53 0.00 0.00 36.38 30.31 2poa s VAL 118 CO 0.27 -0.87 -0.24 0.28 -3.33 0.00 0.00 175.10 171.22 2poa s THR 119 N 2.44 2.40 -0.43 5.04 -1.32 -1.26 -0.26 115.64 122.25 2poa s THR 119 Ca 0.12 -1.96 0.04 0.00 -1.21 0.00 0.00 61.69 58.68 2poa s THR 119 Cb -0.22 -2.14 0.17 0.00 -1.51 0.00 0.00 72.50 68.81 2poa s THR 119 CO 0.09 -0.08 0.40 -0.69 -2.21 0.00 0.00 174.62 172.13 2poa s VAL 120 N -1.57 0.11 0.00 5.08 1.01 -1.26 -3.39 120.40 120.38 2poa s VAL 120 Ca 0.20 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 59.82 2poa s VAL 120 Cb -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2poa s VAL 120 CO 0.10 -1.04 0.00 0.61 0.00 0.00 0.00 175.10 174.77 2poa n GLY 121 N 2.90 0.88 0.31 4.51 0.00 -1.26 -4.23 105.19 108.30 2poa n GLY 121 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 1.98 0.00 -0.01 1.61 5.68 -1.26 -5.00 116.55 119.55 2poa n ASP 122 Ca 0.00 -1.27 -0.04 0.00 -0.50 0.00 0.00 54.79 52.98 2poa n ASP 122 Cb 0.00 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 39.91 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 0.00 1.28 -2.92 2.12 0.31 -1.26 -5.10 118.33 112.75 2poa n VAL 123 Ca 0.00 0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.51 2poa n VAL 123 Cb 0.55 -1.86 0.01 0.00 -0.91 0.00 0.00 33.84 31.64 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 -3.83-10.52 -3.20 2.52 -1.04 -1.21 -4.93 114.28 92.07 2poa n THR 124 Ca -0.06 0.71 -0.45 0.00 -2.04 0.00 0.00 64.05 62.21 2poa n THR 124 Cb 0.23 -7.01 -0.05 0.00 -1.82 0.00 0.00 70.33 61.68 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 -2.59 3.50 -1.14 2.41 0.00 0.64 -4.61 121.76 119.97 2poa s ALA 125 Ca 0.23 -2.32 -0.20 0.00 0.00 0.00 0.00 51.96 49.67 2poa s ALA 125 Cb -0.06 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 2poa s ALA 125 CO 0.78 -2.19 1.95 1.51 0.00 0.00 0.00 175.76 177.80 2poa n ILE 126 N 5.43 2.66 -2.70 0.00 0.13 -1.26 -0.90 119.36 122.71 2poa n ILE 126 Ca -0.11 -2.55 -0.42 0.00 -1.10 0.00 0.00 62.75 58.57 2poa n ILE 126 Cb 0.42 -2.35 -0.03 0.00 -0.84 0.00 0.00 39.64 36.84 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 4.84 4.56 -0.10 9.51 0.52 -1.09 -4.67 118.95 132.52 2poa s ARG 127 Ca 0.57 1.44 -0.05 0.00 -0.52 0.00 0.00 55.73 57.17 2poa s ARG 127 Cb 0.08 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2poa s ARG 127 CO 0.07 -0.05 0.11 -0.80 0.02 0.00 0.00 175.30 174.65 2poa s ASN 128 N 0.96 6.07 -0.02 0.23 -0.87 -1.26 -0.11 114.94 119.95 2poa s ASN 128 Ca 0.52 0.37 0.02 0.00 -1.57 0.00 0.00 52.86 52.20 2poa s ASN 128 Cb -0.21 -1.90 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 2poa s ASN 128 CO 0.28 0.39 -0.08 -0.31 -2.57 0.00 0.00 177.10 174.81 2poa s TYR 129 N -1.02 0.88 -0.09 2.20 1.51 -1.02 -0.23 117.35 119.58 2poa s TYR 129 Ca 0.16 -0.21 -0.24 0.00 -1.01 0.00 0.00 57.07 55.77 2poa s TYR 129 Cb -0.12 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 2poa s TYR 129 CO 0.05 -0.09 0.71 0.15 -1.11 0.00 0.00 175.55 175.27 2poa s LYS 130 N 0.16 4.41 0.07 -0.62 -0.14 0.39 -0.49 119.74 123.51 2poa s LYS 130 Ca -0.02 0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 55.17 2poa s LYS 130 Cb -0.08 -3.47 -0.05 0.00 -1.68 0.00 0.00 37.83 32.55 2poa s LYS 130 CO 0.00 -0.01 0.96 0.50 -0.76 0.00 0.00 175.35 176.05 2poa s ARG 131 N 1.05 4.65 0.01 1.68 3.52 -1.17 -1.87 118.95 126.81 2poa s ARG 131 Ca 0.37 1.43 0.04 0.00 -0.13 0.00 0.00 55.73 57.43 2poa s ARG 131 Cb -0.17 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 2poa s ARG 131 CO 0.17 0.13 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.16 2poa s LEU 132 N 0.34 2.09 0.00 -0.88 1.43 0.79 -5.01 118.68 117.44 2poa s LEU 132 Ca 0.48 -0.30 0.18 0.00 -1.03 0.00 0.00 54.13 53.47 2poa s LEU 132 Cb -0.22 -0.52 0.14 0.00 0.03 0.00 0.00 46.19 45.62 2poa s LEU 132 CO 0.29 0.07 1.07 -1.54 0.23 0.00 0.00 176.35 176.47