#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 0.00 0.25 3.17 2.88 -1.26 -4.79 113.62 113.87 2poa n SER 2 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2poa n SER 2 Cb 0.00 0.07 0.65 0.00 -0.75 0.00 0.00 64.21 64.18 2poa n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2poa h SER 3 N 0.00 0.00 -2.08 -3.46 0.87 -2.00 -3.32 113.55 103.56 2poa h SER 3 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 2poa h SER 3 Cb 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 61.54 2poa h SER 3 CO 0.00 0.15 -0.68 2.22 -0.53 0.00 0.00 176.83 177.99 2poa n PHE 4 N -3.75 3.79 -2.33 2.24 -1.74 -1.26 -5.08 117.46 109.33 2poa n PHE 4 Ca -0.02 -3.77 -0.42 0.00 -0.56 0.00 0.00 57.45 52.69 2poa n PHE 4 Cb 0.26 -0.39 -0.03 0.00 1.52 0.00 0.00 39.48 40.85 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2poa s LEU 5 N -3.47 4.41 0.00 5.98 1.43 -1.25 -2.93 118.68 122.86 2poa s LEU 5 Ca 0.48 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 2poa s LEU 5 Cb 0.31 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2poa s LEU 5 CO -0.15 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.58 2poa n GLY 6 N 2.63 -0.04 3.68 -3.19 0.00 -0.30 -4.89 105.19 103.08 2poa n GLY 6 Ca 0.07 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.97 4.35 -0.17 1.61 0.00 -1.26 -0.83 119.74 121.47 2poa s LYS 7 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 55.97 57.20 2poa s LYS 7 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 37.83 34.28 2poa s LYS 7 CO 0.00 -0.35 -0.20 -1.58 0.00 0.00 0.00 175.35 173.22 2poa s TRP 8 N 2.17 2.74 0.02 1.78 0.51 -1.22 -0.88 118.94 124.06 2poa s TRP 8 Ca 0.43 -1.52 0.06 0.00 -2.12 0.00 0.00 56.10 52.95 2poa s TRP 8 Cb -0.17 -1.88 -0.03 0.00 -0.81 0.00 0.00 33.47 30.57 2poa s TRP 8 CO 0.14 -0.73 -0.18 -1.59 -0.51 0.00 0.00 176.95 174.09 2poa s LYS 9 N 1.11 2.17 -0.11 4.98 -2.85 -1.01 -1.74 119.74 122.29 2poa s LYS 9 Ca 0.00 -0.92 -0.33 0.00 -1.00 0.00 0.00 55.97 53.73 2poa s LYS 9 Cb -0.14 -2.22 -0.10 0.00 -2.06 0.00 0.00 37.83 33.31 2poa s LYS 9 CO -0.09 0.56 1.98 -0.11 0.10 0.00 0.00 175.35 177.79 2poa n LEU 10 N 1.76 3.44 0.08 2.77 7.94 -1.25 -0.90 117.00 130.84 2poa n LEU 10 Ca -0.16 0.79 -0.18 0.00 -1.11 0.00 0.00 56.01 55.35 2poa n LEU 10 Cb 0.52 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 42.91 2poa n LEU 10 CO 0.26 -0.16 -0.28 -1.28 -1.11 0.00 0.00 177.39 174.82 2poa h SER 11 N 10.64 0.48 -5.06 1.96 0.87 -0.64 -3.46 113.55 118.35 2poa h SER 11 Ca -0.46 -0.61 -0.11 0.00 -1.23 0.00 0.00 61.79 59.38 2poa h SER 11 Cb 1.27 -0.16 -0.18 0.00 -0.44 0.00 0.00 62.40 62.89 2poa h SER 11 CO 0.96 1.50 -0.37 -1.83 -0.53 0.00 0.00 176.83 176.56 2poa s GLU 12 N -2.62 0.70 -0.56 2.24 4.04 -1.19 -5.02 118.70 116.29 2poa s GLU 12 Ca -0.09 -0.57 -0.03 0.00 0.04 0.00 0.00 54.97 54.32 2poa s GLU 12 Cb 0.06 0.29 0.15 0.00 0.02 0.00 0.00 34.13 34.65 2poa s GLU 12 CO 0.87 -0.21 0.37 0.45 -1.84 0.00 0.00 175.26 174.91 2poa s SER 13 N -2.00 5.24 -0.07 0.83 0.15 -1.26 -3.80 113.70 112.79 2poa s SER 13 Ca -0.06 -2.62 -0.08 0.00 0.70 0.00 0.00 55.95 53.88 2poa s SER 13 Cb -0.02 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.40 2poa s SER 13 CO -0.03 -0.42 0.35 -0.74 1.20 0.00 0.00 173.24 173.60 2poa h HIS 14 N 7.32 -0.27 -1.78 3.44 2.76 -1.93 -3.39 115.15 121.30 2poa h HIS 14 Ca -0.05 -0.01 -0.48 0.00 -2.20 0.00 0.00 60.37 57.63 2poa h HIS 14 Cb 0.98 0.09 -0.41 0.00 1.55 0.00 0.00 27.41 29.62 2poa h HIS 14 CO 0.66 -0.16 -1.05 0.09 -1.30 0.00 0.00 177.93 176.17 2poa n ASN 15 N -4.97 2.03 -3.90 3.26 4.13 -1.26 -4.98 115.26 109.57 2poa n ASN 15 Ca -0.04 -3.14 -0.42 0.00 1.68 0.00 0.00 54.58 52.66 2poa n ASN 15 Cb 0.12 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 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 0.03 3.28 0.00 3.10 7.35 -1.26 -4.21 117.46 125.75 2poa n PHE 16 Ca 0.24 -2.88 0.00 0.00 -0.76 0.00 0.00 57.45 54.05 2poa n PHE 16 Cb 0.64 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 38.35 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 4.66 0.00 0.14 -2.13 5.68 -1.26 -4.27 116.55 119.37 2poa n ASP 17 Ca 0.43 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.79 2poa n ASP 17 Cb 0.38 0.16 0.05 0.00 -1.14 0.00 0.00 41.12 40.57 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2poa h ALA 18 N 0.28 0.73 -0.85 2.12 0.00 -2.00 -3.35 119.26 116.18 2poa h ALA 18 Ca 0.00 -0.26 0.22 0.00 0.00 0.00 0.00 54.91 54.87 2poa h ALA 18 Cb 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 2poa h ALA 18 CO 0.00 0.31 0.23 -0.24 0.00 0.00 0.00 179.25 179.55 2poa h VAL 19 N 0.00 0.36 0.16 0.00 3.04 -1.93 0.42 116.25 118.30 2poa h VAL 19 Ca -0.03 -0.08 -0.22 0.00 -1.01 0.00 0.00 66.70 65.36 2poa h VAL 19 Cb 1.20 0.11 0.02 0.00 -2.01 0.00 0.00 31.29 30.61 2poa h VAL 19 CO 0.02 0.04 -0.98 0.24 -1.01 0.00 0.00 177.57 175.88 2poa h MET 20 N 0.23 0.34 -0.98 4.17 2.86 -1.92 -3.20 114.93 116.43 2poa h MET 20 Ca 0.52 -0.58 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2poa h MET 20 Cb 1.02 0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.82 2poa h MET 20 CO -0.62 1.28 0.63 1.03 1.06 0.00 0.00 176.91 180.28 2poa h SER 21 N -0.27 0.98 0.14 1.22 0.87 -1.64 -0.30 113.55 114.56 2poa h SER 21 Ca -0.18 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 2poa h SER 21 Cb 1.75 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.51 2poa h SER 21 CO 0.17 0.61 -0.18 0.07 -0.53 0.00 0.00 176.83 176.97 2poa h LYS 22 N 1.11 0.07 -0.17 2.24 2.10 -1.08 -2.94 116.57 117.90 2poa h LYS 22 Ca 0.44 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.96 2poa h LYS 22 Cb 0.24 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 2poa h LYS 22 CO -0.19 0.25 -0.40 1.25 -2.00 0.00 0.00 179.45 178.36 2poa h LEU 23 N 0.07 0.40 0.00 7.07 5.85 -1.36 -3.49 115.31 123.85 2poa h LEU 23 Ca 0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2poa h LEU 23 Cb 0.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2poa h LEU 23 CO 0.02 0.76 0.00 0.61 -0.34 0.00 0.00 178.44 179.50 2poa n GLY 24 N -0.12 0.57 3.72 3.75 0.00 -0.19 -4.59 105.19 108.33 2poa n GLY 24 Ca -0.01 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 5.00 0.00 1.61 1.01 -1.23 -4.99 120.40 121.80 2poa s VAL 25 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2poa s VAL 25 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2poa s VAL 25 CO 0.00 0.27 1.71 -1.20 0.00 0.00 0.00 175.10 175.88 2poa n SER 26 N 3.59 4.60 -2.33 3.32 7.64 -1.26 -4.79 113.62 124.39 2poa n SER 26 Ca -0.02 -2.23 -0.08 0.00 1.01 0.00 0.00 58.87 57.56 2poa n SER 26 Cb 0.51 -0.96 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 2poa n SER 26 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2poa n TRP 27 N 1.41 -1.52 -0.06 1.43 7.02 -1.26 -4.89 117.44 119.58 2poa n TRP 27 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 2poa n TRP 27 Cb 0.46 -2.09 -0.04 0.00 -2.42 0.00 0.00 31.31 27.22 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 -2.08 1.72 0.69 6.99 0.00 -1.26 -4.76 120.51 121.81 2poa n ALA 28 Ca -0.09 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.87 2poa n ALA 28 Cb 0.54 0.17 0.47 0.00 0.00 0.00 0.00 19.45 20.62 2poa n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2poa n THR 29 N -4.00 0.53 0.29 0.00 -2.24 -1.26 -3.48 114.28 104.12 2poa n THR 29 Ca -0.18 0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2poa n THR 29 Cb 0.48 -0.77 0.25 0.00 -2.10 0.00 0.00 70.33 68.20 2poa n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2poa n ARG 30 N -1.72 0.04 -0.05 -0.78 1.74 -1.26 -2.08 116.66 112.54 2poa n ARG 30 Ca 0.05 0.39 -0.08 0.00 -0.77 0.00 0.00 57.85 57.44 2poa n ARG 30 Cb 0.28 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2poa n ARG 30 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2poa n GLN 31 N -1.66 0.35 0.01 5.56 3.00 -1.23 -4.52 117.38 118.89 2poa n GLN 31 Ca 0.02 0.14 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 2poa n GLN 31 Cb 0.11 -1.12 0.18 0.00 0.00 0.00 0.00 30.24 29.41 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 -0.65 1.28 -0.46 5.09 5.03 -1.70 -2.71 117.51 123.38 2poa h ILE 32 Ca -0.09 -1.34 0.08 0.00 -0.12 0.00 0.00 64.86 63.39 2poa h ILE 32 Cb 0.79 1.40 -0.10 0.00 -3.03 0.00 0.00 36.82 35.88 2poa h ILE 32 CO -0.05 0.43 -0.39 1.23 -0.68 0.00 0.00 178.15 178.69 2poa h GLY 33 N 1.04 -0.38 -3.38 5.37 0.00 -1.70 -0.39 103.07 103.62 2poa h GLY 33 Ca 0.06 0.49 -0.35 0.00 0.00 0.00 0.00 47.33 47.53 2poa h GLY 33 CO 0.06 -0.19 0.45 1.16 0.00 0.00 0.00 176.54 178.02 2poa n ASN 34 N -5.42 5.16 0.07 0.19 0.23 -1.16 -4.59 115.26 109.74 2poa n ASN 34 Ca 0.01 -3.08 0.00 0.00 -0.53 0.00 0.00 54.58 50.98 2poa n ASN 34 Cb 0.35 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.17 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 -0.17 0.00 -3.52 5.53 -1.04 -1.03 -5.02 114.28 109.02 2poa n THR 35 Ca 0.36 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.95 2poa n THR 35 Cb 0.88 -0.14 -0.10 0.00 -1.82 0.00 0.00 70.33 69.15 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 -1.40 4.74 -0.48 12.58 1.01 -0.18 -5.02 120.40 131.64 2poa s VAL 36 Ca 0.00 -1.06 -0.36 0.00 0.00 0.00 0.00 61.98 60.57 2poa s VAL 36 Cb 0.00 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 2poa s VAL 36 CO 0.00 -0.42 2.27 0.35 0.00 0.00 0.00 175.10 177.30 2poa n THR 37 N 5.05 0.09 -1.60 3.92 -2.24 -1.26 -4.71 114.28 113.53 2poa n THR 37 Ca -0.11 -0.22 -0.46 0.00 -2.27 0.00 0.00 64.05 60.99 2poa n THR 37 Cb 0.45 -1.34 -0.04 0.00 -2.10 0.00 0.00 70.33 67.29 2poa n THR 37 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2poa n PRO 38 N 8.17 1.97 -1.90 -0.78 -0.04 -1.26 -4.30 135.00 136.86 2poa n PRO 38 Ca 0.47 0.64 -0.41 0.00 -0.04 0.00 0.00 63.50 64.16 2poa n PRO 38 Cb 0.17 -2.84 -0.01 0.00 -0.04 0.00 0.00 33.50 30.78 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 6.47 4.46 -2.50 0.52 -1.04 -1.26 -3.82 114.28 117.11 2poa n THR 39 Ca 0.29 -3.73 -0.40 0.00 -2.04 0.00 0.00 64.05 58.17 2poa n THR 39 Cb 0.34 -2.37 -0.03 0.00 -1.82 0.00 0.00 70.33 66.45 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 0.80 3.83 -0.67 12.58 -7.23 -0.71 -2.73 120.40 126.27 2poa s VAL 40 Ca 0.52 -0.51 -0.14 0.00 -1.81 0.00 0.00 61.98 60.04 2poa s VAL 40 Cb 0.15 -4.92 0.17 0.00 0.56 0.00 0.00 36.38 32.34 2poa s VAL 40 CO -0.06 -1.82 0.61 -0.89 -0.31 0.00 0.00 175.10 172.64 2poa s THR 41 N 5.64 5.31 -0.49 5.32 2.01 -1.26 -3.46 115.64 128.71 2poa s THR 41 Ca 0.47 -2.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.29 2poa s THR 41 Cb -0.02 -4.35 0.06 0.00 0.01 0.00 0.00 72.50 68.21 2poa s THR 41 CO -0.04 -0.94 0.53 0.12 -0.69 0.00 0.00 174.62 173.60 2poa s PHE 42 N 0.89 3.13 -0.03 4.92 2.19 -0.01 -0.72 117.98 128.34 2poa s PHE 42 Ca 0.10 -0.70 -0.02 0.00 0.33 0.00 0.00 56.93 56.64 2poa s PHE 42 Cb -0.20 -3.38 0.01 0.00 -1.31 0.00 0.00 43.02 38.14 2poa s PHE 42 CO -0.03 -0.93 0.08 0.95 1.83 0.00 0.00 175.22 177.12 2poa s THR 43 N 2.21 -0.01 -0.64 0.12 -4.23 -0.60 -1.15 115.64 111.34 2poa s THR 43 Ca 0.10 0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.42 2poa s THR 43 Cb -0.21 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.55 2poa s THR 43 CO 0.10 0.02 1.06 -0.32 -0.54 0.00 0.00 174.62 174.94 2poa s MET 44 N 0.32 3.24 -0.71 3.99 1.75 -1.26 0.08 119.30 126.72 2poa s MET 44 Ca -0.02 -0.40 -0.16 0.00 -1.25 0.00 0.00 55.69 53.86 2poa s MET 44 Cb -0.04 -4.14 0.16 0.00 2.84 0.00 0.00 34.83 33.65 2poa s MET 44 CO -0.01 -1.79 0.71 0.34 -0.65 0.00 0.00 175.02 173.63 2poa s ASP 45 N 3.37 6.46 0.00 1.11 2.15 -0.23 -4.78 116.67 124.75 2poa s ASP 45 Ca 0.30 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2poa s ASP 45 Cb -0.12 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2poa s ASP 45 CO 0.16 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 2poa n GLY 46 N 4.77 2.26 1.22 2.66 0.00 -1.26 -3.81 105.19 111.03 2poa n GLY 46 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 4.31 0.11 -4.88 1.61 8.00 -1.26 -5.14 116.55 119.30 2poa n ASP 47 Ca 0.00 0.03 -0.21 0.00 0.71 0.00 0.00 54.79 55.32 2poa n ASP 47 Cb 0.00 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 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 2.61 0.40 -1.24 -2.85 -1.25 -5.02 119.74 110.40 2poa s LYS 48 Ca 0.00 -1.45 -0.23 0.00 -1.00 0.00 0.00 55.97 53.30 2poa s LYS 48 Cb 0.00 -2.44 -0.10 0.00 -2.06 0.00 0.00 37.83 33.23 2poa s LYS 48 CO 0.00 -0.12 0.98 -1.64 0.10 0.00 0.00 175.35 174.66 2poa s MET 49 N -4.11 4.26 -0.04 1.78 -1.94 -0.62 -1.06 119.30 117.56 2poa s MET 49 Ca 0.47 1.27 -0.02 0.00 -1.71 0.00 0.00 55.69 55.70 2poa s MET 49 Cb -0.04 -2.39 0.03 0.00 2.01 0.00 0.00 34.83 34.43 2poa s MET 49 CO 0.28 -0.02 0.06 0.99 -0.01 0.00 0.00 175.02 176.32 2poa s THR 50 N -1.92 -0.11 -0.52 2.05 2.01 0.11 -1.02 115.64 116.24 2poa s THR 50 Ca 0.59 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 2poa s THR 50 Cb -0.15 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.25 2poa s THR 50 CO 0.19 0.17 0.96 -0.04 -0.69 0.00 0.00 174.62 175.20 2poa s MET 51 N 2.05 3.43 -1.25 4.92 -1.94 -0.66 -1.55 119.30 124.30 2poa s MET 51 Ca 0.03 -0.04 -0.07 0.00 -1.71 0.00 0.00 55.69 53.90 2poa s MET 51 Cb -0.12 -4.00 0.18 0.00 2.01 0.00 0.00 34.83 32.91 2poa s MET 51 CO -0.03 -1.39 1.99 1.28 -0.01 0.00 0.00 175.02 176.85 2poa n LEU 52 N 7.42 7.15 -4.58 -0.03 4.77 0.10 -1.90 117.00 129.93 2poa n LEU 52 Ca 0.04 -4.87 -0.41 0.00 -0.03 0.00 0.00 56.01 50.74 2poa n LEU 52 Cb 0.48 -1.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.16 2poa n LEU 52 CO 0.64 1.71 1.57 -0.89 -1.33 0.00 0.00 177.39 179.09 2poa s THR 53 N -0.97 3.43 -0.73 -5.08 2.01 -0.62 -4.04 115.64 109.64 2poa s THR 53 Ca 0.43 0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.86 2poa s THR 53 Cb 0.13 -3.72 0.21 0.00 0.01 0.00 0.00 72.50 69.13 2poa s THR 53 CO -0.02 -0.55 0.67 -0.62 -0.69 0.00 0.00 174.62 173.41 2poa n GLU 54 N 8.66 2.30 -3.59 4.92 -0.58 -1.10 -0.27 120.64 130.97 2poa n GLU 54 Ca 0.23 -4.56 -0.20 0.00 -0.42 0.00 0.00 57.16 52.21 2poa n GLU 54 Cb 0.49 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.03 2poa n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2poa s SER 55 N -1.62 5.51 0.37 1.62 0.01 -0.02 -4.12 113.70 115.45 2poa s SER 55 Ca 0.30 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.20 2poa s SER 55 Cb 0.02 -0.97 0.75 0.00 0.21 0.00 0.00 66.02 66.02 2poa s SER 55 CO -0.10 -0.46 1.99 0.74 0.41 0.00 0.00 173.24 175.82 2poa h THR 56 N 1.05 1.07 0.00 1.44 2.02 -1.95 -2.91 112.91 113.62 2poa h THR 56 Ca -0.44 -0.25 -0.37 0.00 0.77 0.00 0.00 66.41 66.12 2poa h THR 56 Cb 1.26 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 2poa h THR 56 CO 0.55 0.13 -2.38 0.49 0.37 0.00 0.00 175.52 174.69 2poa n PHE 57 N -4.47 0.00 -3.64 3.16 3.01 -1.26 -4.70 117.46 109.57 2poa n PHE 57 Ca 0.08 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.16 2poa n PHE 57 Cb 0.16 -0.96 -0.08 0.00 -0.01 0.00 0.00 39.48 38.59 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 2.90 -0.94 -1.08 1.02 -1.25 -4.41 119.74 113.51 2poa s LYS 58 Ca -0.22 -2.69 -0.13 0.00 0.02 0.00 0.00 55.97 52.94 2poa s LYS 58 Cb 0.07 -3.90 0.22 0.00 -0.52 0.00 0.00 37.83 33.70 2poa s LYS 58 CO 0.68 -1.21 0.95 0.54 -0.92 0.00 0.00 175.35 175.38 2poa s ASN 59 N 0.74 6.91 -0.14 2.83 4.22 -1.10 -0.84 114.94 127.56 2poa s ASN 59 Ca 0.19 -2.85 -0.20 0.00 -2.14 0.00 0.00 52.86 47.86 2poa s ASN 59 Cb -0.16 -2.25 0.05 0.00 1.28 0.00 0.00 41.25 40.17 2poa s ASN 59 CO -0.06 -0.58 0.52 -1.48 -2.04 0.00 0.00 177.10 173.46 2poa s LEU 60 N 0.24 0.02 -0.01 3.54 0.05 0.62 -4.99 118.68 118.16 2poa s LEU 60 Ca 0.25 0.82 0.00 0.00 0.05 0.00 0.00 54.13 55.25 2poa s LEU 60 Cb -0.09 1.85 -0.04 0.00 -2.05 0.00 0.00 46.19 45.87 2poa s LEU 60 CO -0.08 -0.31 0.04 -0.94 -0.55 0.00 0.00 176.35 174.51 2poa s SER 61 N -0.29 5.44 -0.04 1.48 1.04 -1.26 -1.58 113.70 118.48 2poa s SER 61 Ca -0.05 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 2poa s SER 61 Cb -0.03 -1.51 0.03 0.00 0.10 0.00 0.00 66.02 64.60 2poa s SER 61 CO 0.03 0.29 0.02 0.68 0.98 0.00 0.00 173.24 175.24 2poa s VAL 62 N -1.12 0.11 -0.10 5.02 -7.23 -0.80 -5.01 120.40 111.28 2poa s VAL 62 Ca 0.20 0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 60.54 2poa s VAL 62 Cb -0.12 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 2poa s VAL 62 CO 0.11 0.17 0.03 -0.89 -0.31 0.00 0.00 175.10 174.22 2poa s THR 63 N 1.51 4.60 0.07 5.32 2.01 -1.26 -1.65 115.64 126.24 2poa s THR 63 Ca -0.03 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.57 2poa s THR 63 Cb -0.13 -2.95 0.08 0.00 0.01 0.00 0.00 72.50 69.51 2poa s THR 63 CO -0.03 0.61 0.81 0.72 -0.69 0.00 0.00 174.62 176.04 2poa s PHE 64 N -0.89 -0.36 0.46 4.92 -0.12 -0.19 -4.99 117.98 116.81 2poa s PHE 64 Ca 0.13 0.17 0.06 0.00 -0.05 0.00 0.00 56.93 57.25 2poa s PHE 64 Cb -0.11 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 2poa s PHE 64 CO 0.03 -0.70 0.28 -1.59 -0.05 0.00 0.00 175.22 173.19 2poa s LYS 65 N -3.35 2.30 -1.02 1.99 -2.85 -1.26 -1.59 119.74 113.96 2poa s LYS 65 Ca 0.05 -1.86 -0.24 0.00 -1.00 0.00 0.00 55.97 52.92 2poa s LYS 65 Cb -0.01 -2.08 -0.10 0.00 -2.06 0.00 0.00 37.83 33.57 2poa s LYS 65 CO -0.08 -0.30 2.02 -0.59 0.10 0.00 0.00 175.35 176.51 2poa s PHE 66 N -2.64 1.70 0.00 1.78 -0.12 -1.26 -2.75 117.98 114.69 2poa s PHE 66 Ca 0.39 0.98 0.00 0.00 -0.05 0.00 0.00 56.93 58.24 2poa s PHE 66 Cb 0.00 -3.85 0.00 0.00 -0.63 0.00 0.00 43.02 38.54 2poa s PHE 66 CO 0.22 -1.37 0.00 0.41 -0.05 0.00 0.00 175.22 174.44 2poa n GLY 67 N 6.36 1.50 3.71 1.99 0.00 -0.77 -4.95 105.19 113.02 2poa n GLY 67 Ca 0.43 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 4.45 -1.15 1.61 0.41 -1.11 -4.56 118.70 118.35 2poa s GLU 68 Ca 0.00 1.67 -0.21 0.00 -0.41 0.00 0.00 54.97 56.02 2poa s GLU 68 Cb 0.00 -3.41 0.02 0.00 -1.78 0.00 0.00 34.13 28.96 2poa s GLU 68 CO 0.00 -0.25 1.72 -1.83 -0.49 0.00 0.00 175.26 174.41 2poa s GLU 69 N 1.26 3.43 -0.11 1.61 -1.05 -1.26 -4.13 118.70 118.44 2poa s GLU 69 Ca 0.57 -1.39 -0.25 0.00 -0.15 0.00 0.00 54.97 53.74 2poa s GLU 69 Cb -0.27 -5.38 -0.02 0.00 -0.44 0.00 0.00 34.13 28.02 2poa s GLU 69 CO 0.28 -2.70 0.81 -0.59 0.95 0.00 0.00 175.26 174.00 2poa s PHE 70 N 6.41 3.50 -0.11 4.83 -0.12 -1.01 -4.38 117.98 127.10 2poa s PHE 70 Ca 0.56 1.31 -0.21 0.00 -0.05 0.00 0.00 56.93 58.54 2poa s PHE 70 Cb 0.01 -2.96 -0.04 0.00 -0.63 0.00 0.00 43.02 39.40 2poa s PHE 70 CO 0.03 -0.11 0.62 0.16 -0.05 0.00 0.00 175.22 175.88 2poa s ASP 71 N 1.03 6.84 -0.27 1.98 -4.77 -1.26 -2.40 116.67 117.81 2poa s ASP 71 Ca 0.40 1.01 -0.10 0.00 -3.30 0.00 0.00 52.55 50.55 2poa s ASP 71 Cb -0.17 -2.36 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 2poa s ASP 71 CO 0.16 -0.12 0.16 -1.61 0.70 0.00 0.00 175.17 174.46 2poa s GLU 72 N 1.01 3.86 -0.19 2.11 2.02 -0.67 -4.85 118.70 121.99 2poa s GLU 72 Ca 0.32 -0.37 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 2poa s GLU 72 Cb -0.17 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 2poa s GLU 72 CO 0.14 -0.19 0.76 -1.59 0.02 0.00 0.00 175.26 174.39 2poa s LYS 73 N 1.72 4.25 0.47 1.61 0.00 -1.26 -1.79 119.74 124.74 2poa s LYS 73 Ca 0.07 0.86 -0.03 0.00 0.00 0.00 0.00 55.97 56.87 2poa s LYS 73 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 37.83 34.07 2poa s LYS 73 CO 0.09 -0.32 0.73 0.95 0.00 0.00 0.00 175.35 176.80 2poa s THR 74 N 2.15 4.45 0.54 3.79 -4.23 -1.00 -4.89 115.64 116.45 2poa s THR 74 Ca 0.34 -0.15 0.31 0.00 -1.18 0.00 0.00 61.69 61.01 2poa s THR 74 Cb -0.16 -3.68 0.48 0.00 1.34 0.00 0.00 72.50 70.48 2poa s THR 74 CO 0.11 -0.58 1.89 0.77 -0.54 0.00 0.00 174.62 176.27 2poa h SER 75 N 0.29 0.00 0.84 3.99 4.64 -1.94 -1.20 113.55 120.17 2poa h SER 75 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2poa h SER 75 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2poa h SER 75 CO 0.60 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.00 2poa h ASP 76 N 0.00 0.00 -0.84 4.97 3.32 -1.94 -3.47 116.42 118.47 2poa h ASP 76 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2poa h ASP 76 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 2poa h ASP 76 CO -0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2poa n GLY 77 N -0.16 0.64 3.16 2.75 0.00 -0.45 -4.58 105.19 106.55 2poa n GLY 77 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.45 2poa n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2poa s ARG 78 N -2.28 0.35 -0.48 1.61 1.70 -1.26 -4.93 118.95 113.66 2poa s ARG 78 Ca 0.00 0.62 -0.28 0.00 -0.47 0.00 0.00 55.73 55.60 2poa s ARG 78 Cb 0.00 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2poa s ARG 78 CO 0.00 -0.37 1.08 0.54 -1.08 0.00 0.00 175.30 175.47 2poa s ASN 79 N 2.90 6.58 -0.08 -2.89 4.22 -1.26 -2.38 114.94 122.03 2poa s ASN 79 Ca 0.08 0.33 0.02 0.00 -2.14 0.00 0.00 52.86 51.15 2poa s ASN 79 Cb -0.12 -2.52 0.01 0.00 1.28 0.00 0.00 41.25 39.90 2poa s ASN 79 CO -0.15 -1.22 -0.14 0.68 -2.04 0.00 0.00 177.10 174.23 2poa s VAL 80 N 4.31 1.29 0.64 3.54 -7.23 -0.74 -4.90 120.40 117.31 2poa s VAL 80 Ca 0.44 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 2poa s VAL 80 Cb -0.08 -1.18 0.10 0.00 0.56 0.00 0.00 36.38 35.78 2poa s VAL 80 CO 0.30 0.39 0.88 -1.59 -0.31 0.00 0.00 175.10 174.77 2poa s LYS 81 N 0.77 2.05 -0.29 4.82 -2.85 -0.75 -1.67 119.74 121.81 2poa s LYS 81 Ca -0.12 -1.28 -0.00 0.00 -1.00 0.00 0.00 55.97 53.57 2poa s LYS 81 Cb -0.16 -2.48 0.18 0.00 -2.06 0.00 0.00 37.83 33.31 2poa s LYS 81 CO 0.02 -1.10 0.56 -1.12 0.10 0.00 0.00 175.35 173.81 2poa s SER 82 N -4.66 -1.10 -0.31 0.03 0.01 -1.01 -0.35 113.70 106.31 2poa s SER 82 Ca 0.63 0.63 -0.21 0.00 1.31 0.00 0.00 55.95 58.31 2poa s SER 82 Cb -0.06 1.95 -0.01 0.00 0.21 0.00 0.00 66.02 68.11 2poa s SER 82 CO 0.41 -0.28 0.65 0.54 0.41 0.00 0.00 173.24 174.97 2poa s VAL 83 N 2.79 4.92 -0.23 3.43 0.11 -0.62 -2.39 120.40 128.40 2poa s VAL 83 Ca 0.18 0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 60.00 2poa s VAL 83 Cb -0.14 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 2poa s VAL 83 CO -0.21 -0.17 0.12 -0.69 -3.33 0.00 0.00 175.10 170.82 2poa s VAL 84 N 2.65 5.00 -0.04 2.04 1.01 -1.26 -1.70 120.40 128.11 2poa s VAL 84 Ca 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 2poa s VAL 84 Cb -0.15 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2poa s VAL 84 CO 0.12 0.36 0.06 -0.70 0.00 0.00 0.00 175.10 174.94 2poa s GLU 85 N 1.09 -0.07 -0.61 2.72 2.12 -1.25 -1.84 118.70 120.85 2poa s GLU 85 Ca 0.06 0.37 -0.26 0.00 0.36 0.00 0.00 54.97 55.50 2poa s GLU 85 Cb -0.14 -0.50 0.04 0.00 0.26 0.00 0.00 34.13 33.78 2poa s GLU 85 CO 0.04 -0.32 1.12 -1.59 -0.54 0.00 0.00 175.26 173.96 2poa s LYS 86 N 2.13 3.35 -0.09 4.30 0.00 -1.26 -1.36 119.74 126.81 2poa s LYS 86 Ca 0.05 -0.11 -0.21 0.00 0.00 0.00 0.00 55.97 55.69 2poa s LYS 86 Cb -0.12 -4.08 -0.18 0.00 0.00 0.00 0.00 37.83 33.45 2poa s LYS 86 CO -0.03 -1.74 0.73 -0.97 0.00 0.00 0.00 175.35 173.35 2poa h ASN 87 N 9.58 -0.06 -1.59 0.03 -0.73 -1.02 -3.43 115.58 118.36 2poa h ASN 87 Ca -0.26 -0.57 -0.49 0.00 1.87 0.00 0.00 56.30 56.84 2poa h ASN 87 Cb 1.06 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 39.64 2poa h ASN 87 CO 1.18 0.66 -0.39 -0.44 -0.37 0.00 0.00 177.43 178.07 2poa s SER 88 N -5.81 5.13 0.00 1.15 0.01 -1.12 -4.98 113.70 108.08 2poa s SER 88 Ca -0.14 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 56.52 2poa s SER 88 Cb -0.01 -0.67 0.34 0.00 0.21 0.00 0.00 66.02 65.89 2poa s SER 88 CO 0.51 -0.58 0.99 -0.62 0.41 0.00 0.00 173.24 173.95 2poa n GLU 89 N -1.52 0.13 0.00 12.44 4.71 -1.26 -1.65 120.64 133.49 2poa n GLU 89 Ca 0.02 0.16 0.08 0.00 -0.01 0.00 0.00 57.16 57.41 2poa n GLU 89 Cb 0.61 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.55 2poa n GLU 89 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2poa n SER 90 N -1.20 1.77 -3.60 1.62 2.88 -1.26 -4.34 113.62 109.48 2poa n SER 90 Ca 0.04 -1.39 -0.28 0.00 -1.33 0.00 0.00 58.87 55.91 2poa n SER 90 Cb 0.04 0.37 -0.16 0.00 -0.75 0.00 0.00 64.21 63.72 2poa n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2poa s LYS 91 N -1.78 0.26 -0.14 -1.46 3.01 -0.66 -3.08 119.74 115.89 2poa s LYS 91 Ca 0.14 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 54.67 2poa s LYS 91 Cb 0.13 -1.56 -0.00 0.00 -1.01 0.00 0.00 37.83 35.38 2poa s LYS 91 CO 0.36 -0.87 -0.16 -1.17 0.51 0.00 0.00 175.35 174.03 2poa s LEU 92 N 2.03 2.50 -0.58 3.17 0.20 -0.58 -0.27 118.68 125.15 2poa s LEU 92 Ca 0.06 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.43 2poa s LEU 92 Cb -0.16 -1.56 0.15 0.00 -0.43 0.00 0.00 46.19 44.19 2poa s LEU 92 CO -0.24 0.11 0.37 -0.89 -0.29 0.00 0.00 176.35 175.41 2poa s THR 93 N 0.67 3.30 -0.30 3.68 2.01 -0.46 -0.10 115.64 124.44 2poa s THR 93 Ca -0.08 -3.05 -0.03 0.00 0.31 0.00 0.00 61.69 58.84 2poa s THR 93 Cb -0.16 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.20 2poa s THR 93 CO 0.02 -0.84 2.62 1.67 -0.69 0.00 0.00 174.62 177.40 2poa n GLN 94 N 3.40 2.04 -1.54 4.92 7.27 -1.25 -3.85 117.38 128.37 2poa n GLN 94 Ca 0.07 -1.70 -0.53 0.00 0.07 0.00 0.00 57.00 54.91 2poa n GLN 94 Cb 0.36 -1.87 -0.07 0.00 2.41 0.00 0.00 30.24 31.08 2poa n GLN 94 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2poa n THR 95 N 1.02 0.27 -2.77 1.69 -1.04 -0.69 -3.75 114.28 109.01 2poa n THR 95 Ca 0.38 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.05 61.79 2poa n THR 95 Cb 0.62 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 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 5.22 3.81 -0.73 -2.82 -0.21 -1.25 -1.60 119.66 122.08 2poa s GLN 96 Ca 1.05 0.57 -0.14 0.00 0.02 0.00 0.00 55.36 56.85 2poa s GLN 96 Cb -0.92 -3.82 0.19 0.00 1.00 0.00 0.00 33.01 29.46 2poa s GLN 96 CO 0.55 -1.02 0.67 0.08 -2.12 0.00 0.00 175.29 173.45 2poa s VAL 97 N 3.62 5.41 0.53 1.09 1.01 0.53 -1.56 120.40 131.04 2poa s VAL 97 Ca 0.40 -2.21 0.04 0.00 0.00 0.00 0.00 61.98 60.21 2poa s VAL 97 Cb -0.11 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.93 2poa s VAL 97 CO 0.21 -0.97 0.73 -1.81 0.00 0.00 0.00 175.10 173.25 2poa s ASP 98 N 2.52 5.27 0.00 3.32 1.11 -1.26 -1.82 116.67 125.81 2poa s ASP 98 Ca 0.14 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.56 2poa s ASP 98 Cb -0.16 -0.54 0.00 0.00 1.07 0.00 0.00 42.92 43.29 2poa s ASP 98 CO -0.05 -1.13 0.94 -0.81 1.18 0.00 0.00 175.17 175.30 2poa n PRO 99 N -2.22 0.00 -0.02 8.23 -0.04 -1.26 -1.84 135.00 137.85 2poa n PRO 99 Ca 0.10 0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2poa n PRO 99 Cb 0.60 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.44 0.65 -1.19 0.54 3.00 -1.26 -5.10 118.16 113.36 2poa n LYS 100 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 2poa n LYS 100 Cb 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.26 2poa n LYS 100 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2poa n ASN 101 N -3.12 -4.31 -4.67 3.14 2.85 -0.77 -5.03 115.26 103.35 2poa n ASN 101 Ca -0.19 0.51 -0.40 0.00 -0.11 0.00 0.00 54.58 54.39 2poa n ASN 101 Cb 1.05 -2.32 -0.06 0.00 1.24 0.00 0.00 39.78 39.69 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2poa s THR 102 N -0.18 5.04 0.10 -0.44 2.01 -0.60 -4.85 115.64 116.72 2poa s THR 102 Ca 0.00 1.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 2poa s THR 102 Cb 0.00 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2poa s THR 102 CO 0.00 0.15 0.87 -0.89 -0.69 0.00 0.00 174.62 174.05 2poa s THR 103 N 1.67 4.54 0.00 -0.82 2.01 -0.68 -3.87 115.64 118.48 2poa s THR 103 Ca 0.30 1.87 0.00 0.00 0.31 0.00 0.00 61.69 64.17 2poa s THR 103 Cb -0.16 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.12 2poa s THR 103 CO 0.11 0.37 0.00 1.33 -0.69 0.00 0.00 174.62 175.74 2poa n VAL 104 N 2.56 0.00 -2.62 3.82 0.24 -1.26 -3.90 118.33 117.17 2poa n VAL 104 Ca -0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 2poa n VAL 104 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 2poa n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2poa n ILE 105 N 0.00 4.40 -1.68 1.34 -0.00 -1.26 -4.63 119.36 117.53 2poa n ILE 105 Ca 0.00 -4.66 -0.39 0.00 -0.00 0.00 0.00 62.75 57.70 2poa n ILE 105 Cb 0.00 -2.38 0.03 0.00 -0.00 0.00 0.00 39.64 37.29 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 3.56 3.24 -3.91 7.28 0.24 -1.23 -3.81 118.33 123.71 2poa n VAL 106 Ca 0.37 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.87 2poa n VAL 106 Cb 0.38 -1.42 -0.15 0.00 -1.47 0.00 0.00 33.84 31.19 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 -2.53 1.24 0.65 7.34 0.52 0.85 -2.80 118.95 124.22 2poa s ARG 107 Ca 0.69 -1.65 -0.04 0.00 -0.52 0.00 0.00 55.73 54.21 2poa s ARG 107 Cb -0.46 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.29 2poa s ARG 107 CO 0.52 -0.97 0.93 -1.21 0.02 0.00 0.00 175.30 174.59 2poa s GLU 108 N 1.07 2.37 -0.09 3.54 2.02 -0.36 -1.53 118.70 125.72 2poa s GLU 108 Ca 0.11 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 54.73 2poa s GLU 108 Cb -0.19 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.77 2poa s GLU 108 CO -0.13 -1.03 -0.18 0.54 0.02 0.00 0.00 175.26 174.48 2poa s VAL 109 N -3.07 1.59 -0.61 2.63 0.11 -1.18 -1.54 120.40 118.34 2poa s VAL 109 Ca 0.59 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2poa s VAL 109 Cb -0.11 -1.41 0.42 0.00 -1.53 0.00 0.00 36.38 33.75 2poa s VAL 109 CO 0.43 0.46 1.72 0.47 -3.33 0.00 0.00 175.10 174.84 2poa n ASP 110 N 3.75 6.62 -1.05 3.54 9.92 -0.42 -4.86 116.55 134.05 2poa n ASP 110 Ca -0.21 -3.78 0.00 0.00 -0.53 0.00 0.00 54.79 50.27 2poa n ASP 110 Cb 0.52 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 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 -0.70 -0.02 4.15 0.44 0.00 -1.26 -4.58 105.19 103.22 2poa n GLY 111 Ca 0.53 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.63 -1.10 -3.22 1.61 8.00 -1.26 -4.97 116.55 114.99 2poa n ASP 112 Ca 0.00 -1.22 -0.01 0.00 0.71 0.00 0.00 54.79 54.27 2poa n ASP 112 Cb 0.28 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 39.87 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 -4.02 -0.88 -0.64 -3.53 -1.32 -1.26 -3.83 115.64 100.16 2poa s THR 113 Ca 0.20 -0.14 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 2poa s THR 113 Cb -0.11 -0.59 0.01 0.00 -1.51 0.00 0.00 72.50 70.30 2poa s THR 113 CO 0.93 -0.10 1.54 -0.04 -2.21 0.00 0.00 174.62 174.74 2poa s MET 114 N 2.28 3.02 -0.79 7.08 1.00 0.24 -1.30 119.30 130.83 2poa s MET 114 Ca 0.13 0.29 -0.22 0.00 0.00 0.00 0.00 55.69 55.89 2poa s MET 114 Cb -0.09 -4.24 0.08 0.00 0.00 0.00 0.00 34.83 30.59 2poa s MET 114 CO -0.17 -2.30 1.08 0.21 0.00 0.00 0.00 175.02 173.84 2poa s LYS 115 N 6.15 3.32 -0.36 2.03 2.20 -0.59 -1.82 119.74 130.66 2poa s LYS 115 Ca 0.52 -1.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 2poa s LYS 115 Cb -0.11 -4.56 0.10 0.00 -1.51 0.00 0.00 37.83 31.76 2poa s LYS 115 CO 0.20 -1.86 0.07 -0.08 -0.36 0.00 0.00 175.35 173.32 2poa s THR 116 N 3.83 2.29 0.12 3.43 -1.32 0.84 -1.22 115.64 123.61 2poa s THR 116 Ca 0.29 -2.44 -0.35 0.00 -1.21 0.00 0.00 61.69 57.97 2poa s THR 116 Cb -0.11 -2.68 -0.15 0.00 -1.51 0.00 0.00 72.50 68.05 2poa s THR 116 CO 0.02 -0.62 1.45 0.41 -2.21 0.00 0.00 174.62 173.67 2poa n THR 117 N 4.13 0.01 -3.69 5.08 -1.04 -1.12 -2.26 114.28 115.40 2poa n THR 117 Ca 0.04 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 2poa n THR 117 Cb 0.41 -1.16 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 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 0.67 3.69 0.12 12.58 0.11 -0.02 -3.57 120.40 133.98 2poa s VAL 118 Ca 0.82 -1.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.00 2poa s VAL 118 Cb -0.82 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 2poa s VAL 118 CO 0.43 -0.68 0.27 0.28 -3.33 0.00 0.00 175.10 172.06 2poa s THR 119 N 1.25 5.34 -0.43 5.04 -1.32 -1.25 -0.66 115.64 123.61 2poa s THR 119 Ca 0.06 -0.55 0.05 0.00 -1.21 0.00 0.00 61.69 60.04 2poa s THR 119 Cb -0.24 -3.70 0.19 0.00 -1.51 0.00 0.00 72.50 67.24 2poa s THR 119 CO -0.02 -0.01 0.46 0.52 -2.21 0.00 0.00 174.62 173.35 2poa n VAL 120 N -0.26 -0.88 0.00 5.08 0.31 -1.26 -1.68 118.33 119.64 2poa n VAL 120 Ca -0.06 -3.01 0.00 0.00 -0.01 0.00 0.00 64.34 61.26 2poa n VAL 120 Cb 0.53 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 2.58 0.72 2.69 2.92 0.00 -1.26 -4.42 105.19 108.42 2poa n GLY 121 Ca 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 1.65 -1.33 0.07 1.61 5.75 -1.26 -5.01 116.55 118.03 2poa n ASP 122 Ca 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2poa n ASP 122 Cb 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2poa n VAL 123 N -0.78 0.10 -2.78 2.12 0.31 -1.26 -5.12 118.33 110.92 2poa n VAL 123 Ca -0.05 0.03 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 2poa n VAL 123 Cb 0.85 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 2poa n VAL 123 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2poa n THR 124 N -2.99 -9.33 -2.99 2.52 -1.04 -1.23 -4.97 114.28 94.25 2poa n THR 124 Ca 0.00 0.17 -0.44 0.00 -2.04 0.00 0.00 64.05 61.74 2poa n THR 124 Cb 0.00 -6.63 -0.04 0.00 -1.82 0.00 0.00 70.33 61.84 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 -2.77 3.27 -1.17 2.41 0.00 0.17 -4.79 121.76 118.89 2poa s ALA 125 Ca 0.08 -2.04 -0.21 0.00 0.00 0.00 0.00 51.96 49.80 2poa s ALA 125 Cb -0.02 -3.69 0.04 0.00 0.00 0.00 0.00 23.12 19.45 2poa s ALA 125 CO 0.66 -2.55 1.67 -1.50 0.00 0.00 0.00 175.76 174.04 2poa s ILE 126 N 3.36 3.95 -0.15 0.00 1.10 -1.26 -0.84 121.20 127.35 2poa s ILE 126 Ca 0.17 -1.32 -0.27 0.00 -0.51 0.00 0.00 60.65 58.72 2poa s ILE 126 Cb -0.21 -5.01 -0.01 0.00 0.15 0.00 0.00 42.46 37.38 2poa s ILE 126 CO 0.08 -1.82 0.89 -0.13 -2.11 0.00 0.00 174.94 171.85 2poa s ARG 127 N 4.90 4.33 -0.13 3.50 0.52 -0.96 -4.52 118.95 126.60 2poa s ARG 127 Ca 0.54 1.13 -0.14 0.00 -0.52 0.00 0.00 55.73 56.74 2poa s ARG 127 Cb 0.01 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 2poa s ARG 127 CO 0.02 -0.33 0.33 1.21 0.02 0.00 0.00 175.30 176.55 2poa s ASN 128 N 1.13 6.53 -0.08 0.23 2.47 -1.25 -0.11 114.94 123.87 2poa s ASN 128 Ca 0.41 0.62 0.02 0.00 0.42 0.00 0.00 52.86 54.33 2poa s ASN 128 Cb -0.17 -2.20 0.02 0.00 -1.45 0.00 0.00 41.25 37.44 2poa s ASN 128 CO 0.14 0.14 -0.12 -0.31 -3.72 0.00 0.00 177.10 173.23 2poa s TYR 129 N 0.16 1.50 -0.22 0.43 1.51 -0.76 0.13 117.35 120.11 2poa s TYR 129 Ca 0.19 -0.60 -0.23 0.00 -1.01 0.00 0.00 57.07 55.42 2poa s TYR 129 Cb -0.14 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 2poa s TYR 129 CO 0.06 -0.34 0.74 0.15 -1.11 0.00 0.00 175.55 175.05 2poa s LYS 130 N 0.88 4.20 0.05 -0.62 -0.14 -0.08 -0.59 119.74 123.45 2poa s LYS 130 Ca -0.10 0.79 -0.31 0.00 -1.36 0.00 0.00 55.97 54.99 2poa s LYS 130 Cb -0.15 -3.61 -0.06 0.00 -1.68 0.00 0.00 37.83 32.33 2poa s LYS 130 CO 0.01 -0.38 1.29 0.50 -0.76 0.00 0.00 175.35 176.01 2poa s ARG 131 N 2.37 4.36 -0.08 1.68 3.52 -1.25 -2.40 118.95 127.16 2poa s ARG 131 Ca 0.32 1.88 0.04 0.00 -0.13 0.00 0.00 55.73 57.84 2poa s ARG 131 Cb -0.16 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 2poa s ARG 131 CO 0.09 -0.39 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.48 2poa s LEU 132 N 1.47 2.31 0.00 -0.88 1.43 -0.06 -5.01 118.68 117.94 2poa s LEU 132 Ca 0.61 -0.44 0.27 0.00 -1.03 0.00 0.00 54.13 53.55 2poa s LEU 132 Cb -0.31 -1.46 0.89 0.00 0.03 0.00 0.00 46.19 45.35 2poa s LEU 132 CO 0.28 0.23 1.66 -1.54 0.23 0.00 0.00 176.35 177.21