#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa s SER 2 N 0.00 -1.23 0.15 6.12 0.01 -1.26 -5.02 113.70 112.47 2poa s SER 2 Ca 0.00 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2poa s SER 2 Cb 0.00 1.85 0.00 0.00 0.21 0.00 0.00 66.02 68.08 2poa s SER 2 CO 0.00 -0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.18 2poa n SER 3 N 5.37 -1.35 -3.11 2.44 2.88 -1.26 -4.98 113.62 113.60 2poa n SER 3 Ca 0.03 0.45 -0.40 0.00 -1.33 0.00 0.00 58.87 57.62 2poa n SER 3 Cb 0.54 1.50 0.03 0.00 -0.75 0.00 0.00 64.21 65.53 2poa n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2poa n PHE 4 N -2.76 2.94 -3.06 0.66 -1.74 -1.26 -5.00 117.46 107.23 2poa n PHE 4 Ca 0.00 -2.42 -0.40 0.00 -0.56 0.00 0.00 57.45 54.08 2poa n PHE 4 Cb 0.00 -1.17 -0.05 0.00 1.52 0.00 0.00 39.48 39.79 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 -4.14 4.30 0.00 5.98 1.43 -1.26 -4.77 118.68 120.22 2poa s LEU 5 Ca 0.48 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2poa s LEU 5 Cb 0.37 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2poa s LEU 5 CO -0.33 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 176.73 2poa n GLY 6 N 3.18 -1.84 3.85 -3.19 0.00 0.10 -5.02 105.19 102.28 2poa n GLY 6 Ca -0.01 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 2poa n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2poa s LYS 7 N -1.75 3.83 -0.11 1.61 -2.85 -1.25 -0.58 119.74 118.63 2poa s LYS 7 Ca 0.00 0.28 -0.03 0.00 -1.00 0.00 0.00 55.97 55.22 2poa s LYS 7 Cb 0.00 -3.08 0.04 0.00 -2.06 0.00 0.00 37.83 32.73 2poa s LYS 7 CO 0.00 0.61 0.04 -1.58 0.10 0.00 0.00 175.35 174.52 2poa s TRP 8 N -1.27 0.45 -0.03 1.78 0.52 -1.26 -1.14 118.94 117.99 2poa s TRP 8 Ca 0.29 -0.20 0.07 0.00 0.02 0.00 0.00 56.10 56.28 2poa s TRP 8 Cb -0.15 -0.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.42 2poa s TRP 8 CO 0.16 -0.38 -0.23 0.15 0.02 0.00 0.00 176.95 176.67 2poa s LYS 9 N 2.05 2.22 0.05 4.98 1.02 -1.11 -1.59 119.74 127.35 2poa s LYS 9 Ca 0.03 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 2poa s LYS 9 Cb -0.14 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 2poa s LYS 9 CO -0.06 0.58 1.73 -1.17 -0.92 0.00 0.00 175.35 175.51 2poa s LEU 10 N -0.65 4.37 -0.08 3.17 2.96 -1.26 -1.25 118.68 125.95 2poa s LEU 10 Ca 0.10 2.51 -0.18 0.00 -0.22 0.00 0.00 54.13 56.35 2poa s LEU 10 Cb -0.10 -3.55 -0.29 0.00 0.50 0.00 0.00 46.19 42.74 2poa s LEU 10 CO -0.01 -0.94 0.69 -1.28 -1.32 0.00 0.00 176.35 173.50 2poa h SER 11 N 8.96 0.45 -3.37 3.68 0.87 -0.43 -3.47 113.55 120.24 2poa h SER 11 Ca -0.44 -0.89 -0.44 0.00 -1.23 0.00 0.00 61.79 58.80 2poa h SER 11 Cb 1.21 -0.15 -0.35 0.00 -0.44 0.00 0.00 62.40 62.67 2poa h SER 11 CO 0.94 1.56 -0.78 -1.83 -0.53 0.00 0.00 176.83 176.19 2poa s GLU 12 N -2.47 0.88 -1.02 2.24 -1.05 -1.20 -5.05 118.70 111.02 2poa s GLU 12 Ca -0.17 -0.07 -0.14 0.00 -0.15 0.00 0.00 54.97 54.43 2poa s GLU 12 Cb 0.03 -0.99 0.19 0.00 -0.44 0.00 0.00 34.13 32.93 2poa s GLU 12 CO 0.80 -0.16 1.14 0.45 0.95 0.00 0.00 175.26 178.44 2poa s SER 13 N 1.31 6.92 -0.08 0.83 0.15 -1.26 -3.92 113.70 117.65 2poa s SER 13 Ca -0.05 -2.76 -0.21 0.00 0.70 0.00 0.00 55.95 53.64 2poa s SER 13 Cb -0.14 -2.32 -0.17 0.00 -1.71 0.00 0.00 66.02 61.68 2poa s SER 13 CO -0.02 -0.72 0.75 -0.74 1.20 0.00 0.00 173.24 173.71 2poa h HIS 14 N 7.71 -0.10 -0.77 3.44 6.17 -1.94 -3.38 115.15 126.27 2poa h HIS 14 Ca 0.20 -0.00 -0.36 0.00 0.71 0.00 0.00 60.37 60.91 2poa h HIS 14 Cb 0.95 0.03 -0.41 0.00 2.52 0.00 0.00 27.41 30.51 2poa h HIS 14 CO 1.04 0.43 -1.06 -1.71 0.71 0.00 0.00 177.93 177.34 2poa n ASN 15 N -4.81 2.37 -3.70 3.26 4.05 -1.26 -4.99 115.26 110.17 2poa n ASN 15 Ca -0.07 -2.68 -0.42 0.00 0.45 0.00 0.00 54.58 51.86 2poa n ASN 15 Cb 0.28 -0.47 -0.00 0.00 1.23 0.00 0.00 39.78 40.82 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 2poa n PHE 16 N -0.44 3.11 0.05 1.20 7.35 -1.26 -3.17 117.46 124.31 2poa n PHE 16 Ca 0.17 -2.91 0.00 0.00 -0.76 0.00 0.00 57.45 53.94 2poa n PHE 16 Cb 0.82 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 38.37 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 4.65 -0.99 0.12 -2.13 5.68 -1.26 -3.63 116.55 118.99 2poa n ASP 17 Ca 0.52 0.50 -0.02 0.00 -0.50 0.00 0.00 54.79 55.29 2poa n ASP 17 Cb 0.35 1.23 0.18 0.00 -1.14 0.00 0.00 41.12 41.74 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 0.00 1.00 -0.89 2.12 0.00 -1.92 -2.49 119.26 117.08 2poa h ALA 18 Ca 0.00 -0.51 0.16 0.00 0.00 0.00 0.00 54.91 54.56 2poa h ALA 18 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 2poa h ALA 18 CO 0.00 0.70 0.48 -0.24 0.00 0.00 0.00 179.25 180.19 2poa h VAL 19 N 0.09 0.73 0.24 0.00 3.04 -1.91 0.11 116.25 118.55 2poa h VAL 19 Ca -0.00 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 2poa h VAL 19 Cb 1.01 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2poa h VAL 19 CO 0.08 0.12 -0.11 0.24 -1.01 0.00 0.00 177.57 176.89 2poa h MET 20 N 0.67 -0.31 -0.58 4.17 2.86 -1.85 -2.75 114.93 117.14 2poa h MET 20 Ca 0.49 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.21 2poa h MET 20 Cb 0.71 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 2poa h MET 20 CO -0.37 0.01 0.39 1.03 1.06 0.00 0.00 176.91 179.03 2poa h SER 21 N -0.64 0.50 -0.64 1.22 0.87 -1.23 0.90 113.55 114.52 2poa h SER 21 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2poa h SER 21 Cb 0.45 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 2poa h SER 21 CO 0.05 0.33 0.39 0.50 -0.53 0.00 0.00 176.83 177.57 2poa h LYS 22 N 0.57 0.87 -0.85 2.24 1.63 -0.85 -2.74 116.57 117.44 2poa h LYS 22 Ca 0.25 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2poa h LYS 22 Cb 0.26 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 2poa h LYS 22 CO -0.07 0.62 0.56 1.25 -3.45 0.00 0.00 179.45 178.37 2poa h LEU 23 N 0.87 0.97 0.00 5.20 5.85 -1.14 -3.49 115.31 123.57 2poa h LEU 23 Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2poa h LEU 23 Cb -0.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2poa h LEU 23 CO -0.04 0.70 0.00 0.61 -0.34 0.00 0.00 178.44 179.37 2poa n GLY 24 N -1.33 0.70 3.56 3.75 0.00 0.27 -4.62 105.19 107.52 2poa n GLY 24 Ca 0.09 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.80 3.44 0.54 1.61 1.01 -1.16 -4.98 120.40 120.06 2poa s VAL 25 Ca 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 2poa s VAL 25 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2poa s VAL 25 CO 0.00 0.43 1.27 -0.44 0.00 0.00 0.00 175.10 176.37 2poa s SER 26 N -1.26 5.41 -1.20 3.32 0.01 -1.26 -4.74 113.70 113.98 2poa s SER 26 Ca 0.15 2.56 -0.12 0.00 1.31 0.00 0.00 55.95 59.86 2poa s SER 26 Cb -0.11 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 2poa s SER 26 CO 0.06 -1.45 2.34 0.79 0.41 0.00 0.00 173.24 175.38 2poa n TRP 27 N -1.10 2.18 0.08 2.43 5.03 -1.26 -1.90 117.44 122.91 2poa n TRP 27 Ca 0.11 -2.45 0.00 0.00 3.03 0.00 0.00 57.50 58.19 2poa n TRP 27 Cb 0.47 -2.08 0.00 0.00 -1.03 0.00 0.00 31.31 28.67 2poa n TRP 27 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2poa n ALA 28 N 5.03 0.00 0.18 6.99 0.00 -1.26 -4.94 120.51 126.51 2poa n ALA 28 Ca 0.57 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.04 2poa n ALA 28 Cb 0.26 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.05 2poa n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2poa h THR 29 N 0.00 1.19 0.00 0.00 1.35 -1.91 -3.31 112.91 110.23 2poa h THR 29 Ca 0.00 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2poa h THR 29 Cb 0.00 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2poa h THR 29 CO 0.00 0.40 0.00 -0.09 -0.25 0.00 0.00 175.52 175.58 2poa h ARG 30 N 0.00 0.00 0.00 4.72 2.43 -1.67 -3.27 114.38 116.59 2poa h ARG 30 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2poa h ARG 30 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2poa h ARG 30 CO 0.05 0.00 -1.59 0.00 -1.51 0.00 0.00 179.97 176.92 2poa n GLN 31 N -2.66 1.17 0.15 0.20 10.64 -1.25 -4.46 117.38 121.17 2poa n GLN 31 Ca -0.01 -0.06 0.04 0.00 -1.83 0.00 0.00 57.00 55.14 2poa n GLN 31 Cb 0.12 -1.26 0.46 0.00 -0.86 0.00 0.00 30.24 28.70 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2poa h ILE 32 N 0.00 1.13 -0.79 -0.39 5.03 -1.66 -2.26 117.51 118.58 2poa h ILE 32 Ca -0.12 -0.54 0.09 0.00 -0.12 0.00 0.00 64.86 64.17 2poa h ILE 32 Cb 0.98 1.12 -0.11 0.00 -3.03 0.00 0.00 36.82 35.77 2poa h ILE 32 CO 0.01 0.17 -0.53 1.23 -0.68 0.00 0.00 178.15 178.35 2poa h GLY 33 N 0.55 -0.69 -3.75 5.37 0.00 -1.78 -1.61 103.07 101.15 2poa h GLY 33 Ca 0.04 0.70 -0.51 0.00 0.00 0.00 0.00 47.33 47.56 2poa h GLY 33 CO 0.01 -0.06 0.66 1.16 0.00 0.00 0.00 176.54 178.32 2poa n ASN 34 N -5.34 6.42 0.00 0.19 6.94 -1.02 -4.66 115.26 117.79 2poa n ASN 34 Ca 0.02 -3.46 0.00 0.00 -0.02 0.00 0.00 54.58 51.12 2poa n ASN 34 Cb 0.31 -0.96 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 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 -0.52 0.00 -3.46 5.53 -1.04 -0.88 -5.05 114.28 108.86 2poa n THR 35 Ca 0.50 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 62.08 2poa n THR 35 Cb 0.81 -0.01 -0.08 0.00 -1.82 0.00 0.00 70.33 69.24 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 -1.02 4.86 -0.40 12.58 1.01 -0.62 -5.02 120.40 131.79 2poa s VAL 36 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 2poa s VAL 36 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2poa s VAL 36 CO 0.00 -0.59 2.29 0.35 0.00 0.00 0.00 175.10 177.16 2poa n THR 37 N 5.10 0.15 -1.77 3.92 -2.24 -1.26 -4.68 114.28 113.50 2poa n THR 37 Ca -0.12 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 2poa n THR 37 Cb 0.43 -2.05 -0.03 0.00 -2.10 0.00 0.00 70.33 66.58 2poa n THR 37 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2poa s PRO 38 N 6.94 4.15 -1.37 -0.78 0.04 -1.26 -4.27 135.00 138.46 2poa s PRO 38 Ca 1.07 2.54 -0.09 0.00 0.04 0.00 0.00 61.00 64.56 2poa s PRO 38 Cb -0.60 -3.36 0.10 0.00 0.04 0.00 0.00 34.50 30.68 2poa s PRO 38 CO 0.40 -0.77 2.21 2.41 0.04 0.00 0.00 177.00 181.30 2poa n THR 39 N 4.38 4.41 -2.57 1.26 -1.04 -1.25 -4.04 114.28 115.43 2poa n THR 39 Ca 0.16 -3.89 -0.42 0.00 -2.04 0.00 0.00 64.05 57.86 2poa n THR 39 Cb 0.37 -2.37 -0.01 0.00 -1.82 0.00 0.00 70.33 66.51 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 0.73 4.07 -0.57 12.58 -7.23 -0.62 -2.88 120.40 126.48 2poa s VAL 40 Ca 0.48 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.84 2poa s VAL 40 Cb 0.14 -5.17 0.13 0.00 0.56 0.00 0.00 36.38 32.04 2poa s VAL 40 CO -0.05 -2.01 0.58 -0.89 -0.31 0.00 0.00 175.10 172.43 2poa s THR 41 N 4.42 5.10 -0.45 5.32 2.01 -1.26 -4.14 115.64 126.65 2poa s THR 41 Ca 0.52 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 2poa s THR 41 Cb 0.03 -4.40 0.03 0.00 0.01 0.00 0.00 72.50 68.18 2poa s THR 41 CO 0.04 -0.96 0.56 0.12 -0.69 0.00 0.00 174.62 173.69 2poa s PHE 42 N 1.88 3.10 -0.04 4.92 2.19 0.25 -0.52 117.98 129.75 2poa s PHE 42 Ca 0.06 -0.30 -0.03 0.00 0.33 0.00 0.00 56.93 56.99 2poa s PHE 42 Cb -0.27 -3.23 0.02 0.00 -1.31 0.00 0.00 43.02 38.22 2poa s PHE 42 CO 0.03 -0.85 0.10 0.95 1.83 0.00 0.00 175.22 177.28 2poa s THR 43 N 2.52 -0.01 -0.50 0.12 -4.23 -0.48 -0.72 115.64 112.33 2poa s THR 43 Ca 0.17 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.44 2poa s THR 43 Cb -0.17 -0.15 0.03 0.00 1.34 0.00 0.00 72.50 73.56 2poa s THR 43 CO 0.15 0.02 1.15 -0.32 -0.54 0.00 0.00 174.62 175.09 2poa s MET 44 N 0.35 3.68 -1.04 3.99 1.75 -1.26 0.30 119.30 127.06 2poa s MET 44 Ca -0.02 0.50 -0.17 0.00 -1.25 0.00 0.00 55.69 54.74 2poa s MET 44 Cb -0.04 -3.93 0.13 0.00 2.84 0.00 0.00 34.83 33.84 2poa s MET 44 CO -0.01 -1.45 1.28 0.34 -0.65 0.00 0.00 175.02 174.52 2poa s ASP 45 N 2.58 6.77 0.00 1.11 2.15 -0.02 -4.78 116.67 124.48 2poa s ASP 45 Ca 0.47 -2.32 0.00 0.00 0.43 0.00 0.00 52.55 51.13 2poa s ASP 45 Cb -0.07 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2poa s ASP 45 CO 0.31 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 2poa n GLY 46 N 5.16 2.15 1.14 2.66 0.00 -1.26 -3.67 105.19 111.36 2poa n GLY 46 Ca 0.30 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.04 -4.97 1.61 8.00 -1.26 -5.11 116.55 119.17 2poa n ASP 47 Ca 0.00 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2poa n ASP 47 Cb 0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 2poa n ASP 47 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2poa s LYS 48 N -2.00 3.36 0.20 -1.24 -2.85 -1.24 -5.01 119.74 110.95 2poa s LYS 48 Ca 0.00 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.97 54.22 2poa s LYS 48 Cb 0.00 -2.81 -0.05 0.00 -2.06 0.00 0.00 37.83 32.91 2poa s LYS 48 CO 0.00 0.25 0.44 -1.64 0.10 0.00 0.00 175.35 174.50 2poa s MET 49 N -4.13 3.63 -0.07 1.78 -1.94 -0.25 -0.84 119.30 117.49 2poa s MET 49 Ca 0.38 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 2poa s MET 49 Cb -0.09 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 34.00 2poa s MET 49 CO 0.31 0.38 -0.04 0.99 -0.01 0.00 0.00 175.02 176.65 2poa s THR 50 N -1.82 0.63 -0.58 2.05 2.01 0.15 -0.55 115.64 117.53 2poa s THR 50 Ca 0.42 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.07 2poa s THR 50 Cb -0.11 -0.69 0.04 0.00 0.01 0.00 0.00 72.50 71.75 2poa s THR 50 CO 0.26 0.27 0.99 -0.04 -0.69 0.00 0.00 174.62 175.42 2poa s MET 51 N 1.36 3.30 -1.26 4.92 -1.94 -0.32 -1.38 119.30 123.98 2poa s MET 51 Ca -0.04 -0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 53.58 2poa s MET 51 Cb -0.13 -4.09 0.18 0.00 2.01 0.00 0.00 34.83 32.80 2poa s MET 51 CO -0.03 -1.60 2.02 1.28 -0.01 0.00 0.00 175.02 176.68 2poa n LEU 52 N 7.73 7.20 -4.56 -0.03 4.77 0.32 -1.92 117.00 130.50 2poa n LEU 52 Ca 0.02 -4.85 -0.40 0.00 -0.03 0.00 0.00 56.01 50.75 2poa n LEU 52 Cb 0.47 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.14 2poa n LEU 52 CO 0.65 1.71 1.47 -0.89 -1.33 0.00 0.00 177.39 179.00 2poa s THR 53 N -0.84 3.51 -0.76 -5.08 2.01 -0.40 -3.97 115.64 110.11 2poa s THR 53 Ca 0.44 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.86 2poa s THR 53 Cb 0.13 -4.09 0.18 0.00 0.01 0.00 0.00 72.50 68.73 2poa s THR 53 CO -0.03 -0.96 0.58 -1.61 -0.69 0.00 0.00 174.62 171.91 2poa s GLU 54 N 6.32 2.71 0.33 4.92 0.41 -1.14 -0.11 118.70 132.13 2poa s GLU 54 Ca 0.63 -3.33 0.08 0.00 -0.41 0.00 0.00 54.97 51.94 2poa s GLU 54 Cb -0.13 -3.58 -0.03 0.00 -1.78 0.00 0.00 34.13 28.60 2poa s GLU 54 CO 0.24 -1.28 0.21 -1.12 -0.49 0.00 0.00 175.26 172.81 2poa s SER 55 N -1.06 4.99 0.26 -0.19 0.01 -0.63 -3.87 113.70 113.21 2poa s SER 55 Ca 0.26 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 2poa s SER 55 Cb -0.05 -0.87 0.34 0.00 0.21 0.00 0.00 66.02 65.64 2poa s SER 55 CO -0.15 -0.30 1.92 0.74 0.41 0.00 0.00 173.24 175.86 2poa h THR 56 N 1.42 1.19 0.08 1.44 2.02 -1.95 -2.87 112.91 114.25 2poa h THR 56 Ca -0.44 -0.44 -0.37 0.00 0.77 0.00 0.00 66.41 65.93 2poa h THR 56 Cb 1.25 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2poa h THR 56 CO 0.61 0.23 -2.13 0.49 0.37 0.00 0.00 175.52 175.09 2poa n PHE 57 N -4.42 0.85 -3.59 3.16 3.01 -1.26 -4.72 117.46 110.49 2poa n PHE 57 Ca 0.13 0.19 -0.38 0.00 1.01 0.00 0.00 57.45 58.40 2poa n PHE 57 Cb 0.07 -1.11 -0.06 0.00 -0.01 0.00 0.00 39.48 38.37 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 -2.54 3.33 -0.70 -1.08 1.02 -1.23 -4.50 119.74 114.05 2poa s LYS 58 Ca -0.27 -3.15 -0.17 0.00 0.02 0.00 0.00 55.97 52.40 2poa s LYS 58 Cb 0.07 -4.03 0.14 0.00 -0.52 0.00 0.00 37.83 33.49 2poa s LYS 58 CO 0.71 -1.25 0.77 0.54 -0.92 0.00 0.00 175.35 175.19 2poa s ASN 59 N 0.26 6.39 -0.15 2.83 4.22 -1.08 -1.60 114.94 125.81 2poa s ASN 59 Ca 0.26 -1.87 -0.17 0.00 -2.14 0.00 0.00 52.86 48.94 2poa s ASN 59 Cb -0.09 -2.29 0.05 0.00 1.28 0.00 0.00 41.25 40.20 2poa s ASN 59 CO -0.11 -0.95 0.47 -1.48 -2.04 0.00 0.00 177.10 172.99 2poa s LEU 60 N 1.98 0.20 -0.10 3.54 0.05 0.84 -4.97 118.68 120.22 2poa s LEU 60 Ca 0.16 0.83 -0.00 0.00 0.05 0.00 0.00 54.13 55.16 2poa s LEU 60 Cb -0.18 1.66 -0.03 0.00 -2.05 0.00 0.00 46.19 45.59 2poa s LEU 60 CO -0.00 -0.24 -0.08 -0.94 -0.55 0.00 0.00 176.35 174.54 2poa s SER 61 N -0.07 4.49 -0.04 1.48 1.04 -1.26 -1.28 113.70 118.07 2poa s SER 61 Ca -0.03 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 2poa s SER 61 Cb -0.03 -1.36 0.03 0.00 0.10 0.00 0.00 66.02 64.76 2poa s SER 61 CO 0.02 0.28 0.08 0.68 0.98 0.00 0.00 173.24 175.27 2poa s VAL 62 N -0.30 -0.10 -0.00 5.02 -7.23 -0.81 -5.02 120.40 111.96 2poa s VAL 62 Ca 0.04 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2poa s VAL 62 Cb -0.13 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 2poa s VAL 62 CO 0.02 0.12 0.06 -0.89 -0.31 0.00 0.00 175.10 174.11 2poa s THR 63 N 1.62 4.59 0.04 5.32 2.01 -1.26 -1.17 115.64 126.78 2poa s THR 63 Ca -0.03 -0.46 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 2poa s THR 63 Cb -0.12 -3.09 0.08 0.00 0.01 0.00 0.00 72.50 69.38 2poa s THR 63 CO -0.04 0.36 0.68 0.72 -0.69 0.00 0.00 174.62 175.65 2poa s PHE 64 N -1.17 -0.56 0.47 4.92 -0.12 0.29 -4.92 117.98 116.89 2poa s PHE 64 Ca 0.22 0.66 0.08 0.00 -0.05 0.00 0.00 56.93 57.84 2poa s PHE 64 Cb -0.12 0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2poa s PHE 64 CO 0.13 -0.70 0.65 -1.59 -0.05 0.00 0.00 175.22 173.66 2poa s LYS 65 N -2.50 2.66 -1.02 1.99 -2.85 -1.26 -1.09 119.74 115.67 2poa s LYS 65 Ca -0.04 -1.30 -0.23 0.00 -1.00 0.00 0.00 55.97 53.40 2poa s LYS 65 Cb -0.01 -2.70 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 2poa s LYS 65 CO -0.02 -0.47 1.87 -0.59 0.10 0.00 0.00 175.35 176.23 2poa s PHE 66 N -2.47 2.00 0.00 1.78 -0.12 -1.26 -3.96 117.98 113.95 2poa s PHE 66 Ca 0.57 0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.70 2poa s PHE 66 Cb -0.09 -4.16 0.00 0.00 -0.63 0.00 0.00 43.02 38.14 2poa s PHE 66 CO 0.35 -1.62 0.00 0.41 -0.05 0.00 0.00 175.22 174.31 2poa n GLY 67 N 6.47 -0.24 3.74 1.99 0.00 -0.51 -4.87 105.19 111.76 2poa n GLY 67 Ca 0.41 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 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 4.66 -0.80 1.61 0.41 -1.25 -4.12 118.70 119.21 2poa s GLU 68 Ca 0.00 1.61 -0.26 0.00 -0.41 0.00 0.00 54.97 55.91 2poa s GLU 68 Cb 0.00 -3.31 0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2poa s GLU 68 CO 0.00 0.18 1.41 -1.83 -0.49 0.00 0.00 175.26 174.53 2poa s GLU 69 N -0.39 3.20 0.11 1.61 -1.05 -1.26 -4.38 118.70 116.54 2poa s GLU 69 Ca 0.47 -0.37 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 2poa s GLU 69 Cb -0.27 -4.52 -0.06 0.00 -0.44 0.00 0.00 34.13 28.83 2poa s GLU 69 CO 0.33 -2.27 1.10 -0.59 0.95 0.00 0.00 175.26 174.78 2poa s PHE 70 N 6.07 3.58 -0.17 4.83 -0.12 -1.08 -4.35 117.98 126.74 2poa s PHE 70 Ca 0.42 1.54 -0.08 0.00 -0.05 0.00 0.00 56.93 58.76 2poa s PHE 70 Cb -0.06 -3.28 -0.04 0.00 -0.63 0.00 0.00 43.02 39.01 2poa s PHE 70 CO 0.09 -0.65 0.11 0.16 -0.05 0.00 0.00 175.22 174.88 2poa s ASP 71 N 0.42 6.08 -0.17 1.98 -4.77 -1.26 -1.50 116.67 117.45 2poa s ASP 71 Ca 0.52 0.26 -0.04 0.00 -3.30 0.00 0.00 52.55 49.99 2poa s ASP 71 Cb -0.28 -2.02 -0.03 0.00 -1.09 0.00 0.00 42.92 39.51 2poa s ASP 71 CO 0.32 0.26 -0.02 -1.83 0.70 0.00 0.00 175.17 174.59 2poa s GLU 72 N -0.11 3.67 -0.29 2.11 -1.05 -0.49 -4.89 118.70 117.65 2poa s GLU 72 Ca 0.09 -0.51 -0.24 0.00 -0.15 0.00 0.00 54.97 54.16 2poa s GLU 72 Cb -0.12 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 2poa s GLU 72 CO 0.00 0.17 0.82 0.21 0.95 0.00 0.00 175.26 177.42 2poa s LYS 73 N 0.55 4.02 0.26 -4.83 2.20 -1.26 -1.12 119.74 119.57 2poa s LYS 73 Ca -0.02 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 2poa s LYS 73 Cb -0.14 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2poa s LYS 73 CO 0.02 -0.66 0.46 0.95 -0.36 0.00 0.00 175.35 175.76 2poa s THR 74 N 2.99 5.16 -0.64 3.43 -4.23 -0.44 -4.93 115.64 116.98 2poa s THR 74 Ca 0.34 -0.44 0.19 0.00 -1.18 0.00 0.00 61.69 60.60 2poa s THR 74 Cb -0.14 -3.79 0.18 0.00 1.34 0.00 0.00 72.50 70.09 2poa s THR 74 CO 0.12 -0.34 1.57 -0.24 -0.54 0.00 0.00 174.62 175.18 2poa n SER 75 N -1.17 0.40 0.26 3.99 2.88 -1.26 -0.90 113.62 117.82 2poa n SER 75 Ca -0.05 0.62 0.10 0.00 -1.33 0.00 0.00 58.87 58.21 2poa n SER 75 Cb 0.55 -0.69 0.70 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 -1.17 -3.46 5.19 -1.95 -3.49 116.42 111.54 2poa h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2poa h ASP 76 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2poa h ASP 76 CO 0.00 0.07 0.00 0.61 -3.12 0.00 0.00 179.24 176.80 2poa n GLY 77 N -1.20 0.90 3.01 2.75 0.00 -0.07 -5.03 105.19 105.54 2poa n GLY 77 Ca -0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.34 0.30 -0.75 1.61 1.81 -1.24 -4.95 118.95 113.39 2poa s ARG 78 Ca 0.00 0.67 -0.26 0.00 -1.72 0.00 0.00 55.73 54.42 2poa s ARG 78 Cb 0.00 -0.27 0.04 0.00 -0.45 0.00 0.00 34.95 34.27 2poa s ARG 78 CO 0.00 -0.50 1.26 0.54 -0.68 0.00 0.00 175.30 175.92 2poa s ASN 79 N 2.53 6.19 -0.18 0.23 4.22 -1.26 -1.33 114.94 125.34 2poa s ASN 79 Ca 0.07 -0.59 -0.05 0.00 -2.14 0.00 0.00 52.86 50.15 2poa s ASN 79 Cb -0.14 -2.54 -0.03 0.00 1.28 0.00 0.00 41.25 39.81 2poa s ASN 79 CO -0.14 -1.77 0.01 0.68 -2.04 0.00 0.00 177.10 173.84 2poa s VAL 80 N 5.48 4.17 0.86 3.54 -7.23 -0.28 -4.87 120.40 122.08 2poa s VAL 80 Ca 0.34 -0.25 -0.13 0.00 -1.81 0.00 0.00 61.98 60.13 2poa s VAL 80 Cb -0.08 -2.87 0.12 0.00 0.56 0.00 0.00 36.38 34.10 2poa s VAL 80 CO 0.13 0.45 1.22 -0.54 -0.31 0.00 0.00 175.10 176.05 2poa s LYS 81 N 0.68 1.55 -0.34 4.82 3.01 -0.18 -1.40 119.74 127.88 2poa s LYS 81 Ca 0.00 -0.04 0.05 0.00 -1.01 0.00 0.00 55.97 54.97 2poa s LYS 81 Cb -0.14 -1.92 0.18 0.00 -1.01 0.00 0.00 37.83 34.94 2poa s LYS 81 CO 0.02 -1.86 0.51 -1.12 0.51 0.00 0.00 175.35 173.42 2poa s SER 82 N -4.66 -0.56 -0.31 2.83 0.01 -0.56 -0.49 113.70 109.95 2poa s SER 82 Ca 0.66 -0.53 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 2poa s SER 82 Cb -0.09 1.51 0.01 0.00 0.21 0.00 0.00 66.02 67.65 2poa s SER 82 CO 0.50 -0.27 1.26 0.54 0.41 0.00 0.00 173.24 175.68 2poa s VAL 83 N 2.25 4.20 -0.16 3.43 0.11 -0.24 -2.65 120.40 127.34 2poa s VAL 83 Ca 0.13 1.35 -0.07 0.00 -2.93 0.00 0.00 61.98 60.46 2poa s VAL 83 Cb -0.10 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 2poa s VAL 83 CO -0.18 -0.51 0.07 -0.69 -3.33 0.00 0.00 175.10 170.46 2poa s VAL 84 N 4.27 4.87 -0.15 2.04 1.01 -1.26 -0.84 120.40 130.35 2poa s VAL 84 Ca 0.54 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 2poa s VAL 84 Cb -0.15 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.10 2poa s VAL 84 CO 0.22 0.50 0.38 -0.70 0.00 0.00 0.00 175.10 175.51 2poa s GLU 85 N -0.01 0.43 -0.14 2.72 2.56 -1.26 -1.42 118.70 121.57 2poa s GLU 85 Ca 0.06 0.59 -0.29 0.00 0.00 0.00 0.00 54.97 55.33 2poa s GLU 85 Cb -0.12 0.15 -0.01 0.00 2.00 0.00 0.00 34.13 36.14 2poa s GLU 85 CO 0.01 -0.08 1.15 0.21 -0.56 0.00 0.00 175.26 175.98 2poa s LYS 86 N 0.53 4.31 -0.02 4.30 2.36 -1.26 -0.63 119.74 129.33 2poa s LYS 86 Ca -0.03 1.55 -0.02 0.00 -2.55 0.00 0.00 55.97 54.92 2poa s LYS 86 Cb -0.04 -3.63 -0.01 0.00 -1.05 0.00 0.00 37.83 33.09 2poa s LYS 86 CO -0.03 -0.54 0.23 -0.97 1.55 0.00 0.00 175.35 175.60 2poa h ASN 87 N 7.61 -0.06 0.00 1.43 -1.24 -1.18 -3.49 115.58 118.65 2poa h ASN 87 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2poa h ASN 87 Cb 1.12 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.18 2poa h ASN 87 CO 0.92 0.06 0.00 -0.24 -1.29 0.00 0.00 177.43 176.88 2poa n SER 88 N -2.72 0.00 -1.62 1.15 2.88 -1.24 -5.05 113.62 107.02 2poa n SER 88 Ca -0.01 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 2poa n SER 88 Cb 0.03 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 63.85 2poa n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2poa n GLU 89 N 0.00 3.79 -2.76 -1.46 4.71 -1.26 -3.05 120.64 120.60 2poa n GLU 89 Ca 0.00 -2.88 -0.04 0.00 -0.01 0.00 0.00 57.16 54.24 2poa n GLU 89 Cb 0.00 -1.92 0.05 0.00 -1.01 0.00 0.00 31.44 28.56 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 1.13 1.32 -3.15 1.62 3.41 -1.26 -4.59 113.62 112.09 2poa n SER 90 Ca 0.26 -2.31 0.04 0.00 -0.26 0.00 0.00 58.87 56.61 2poa n SER 90 Cb 0.90 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 -3.29 0.43 -0.10 4.33 2.47 -1.17 -3.90 119.74 118.50 2poa s LYS 91 Ca 0.26 0.61 -0.03 0.00 -1.56 0.00 0.00 55.97 55.26 2poa s LYS 91 Cb 0.38 0.32 0.04 0.00 -1.46 0.00 0.00 37.83 37.11 2poa s LYS 91 CO -0.01 -0.62 0.04 -1.17 0.16 0.00 0.00 175.35 173.76 2poa s LEU 92 N 2.88 0.48 -1.17 5.43 0.20 -0.46 -0.49 118.68 125.54 2poa s LEU 92 Ca 0.14 -0.25 -0.05 0.00 0.69 0.00 0.00 54.13 54.66 2poa s LEU 92 Cb -0.11 -0.32 0.24 0.00 -0.43 0.00 0.00 46.19 45.56 2poa s LEU 92 CO -0.21 -0.26 1.83 1.07 -0.29 0.00 0.00 176.35 178.49 2poa n THR 93 N 5.21 5.19 -2.08 3.68 5.66 0.20 -0.46 114.28 131.69 2poa n THR 93 Ca -0.06 -5.21 -0.42 0.00 -3.05 0.00 0.00 64.05 55.31 2poa n THR 93 Cb 0.49 -2.06 -0.00 0.00 -1.55 0.00 0.00 70.33 67.21 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 1.86 2.92 -2.93 1.09 7.27 -1.26 -4.15 117.38 122.19 2poa n GLN 94 Ca 0.40 -2.86 -0.42 0.00 0.07 0.00 0.00 57.00 54.20 2poa n GLN 94 Cb 0.31 -3.38 -0.05 0.00 2.41 0.00 0.00 30.24 29.54 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 3.91 4.79 -0.20 1.69 2.01 -0.02 -4.66 115.64 123.17 2poa s THR 95 Ca 0.51 1.28 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 2poa s THR 95 Cb 0.09 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 2poa s THR 95 CO -0.00 -0.22 1.34 -1.10 -0.69 0.00 0.00 174.62 173.95 2poa s GLN 96 N 2.95 4.10 -0.79 4.92 -0.21 -1.26 -1.08 119.66 128.29 2poa s GLN 96 Ca 0.33 1.59 -0.12 0.00 0.02 0.00 0.00 55.36 57.18 2poa s GLN 96 Cb -0.14 -3.84 0.21 0.00 1.00 0.00 0.00 33.01 30.23 2poa s GLN 96 CO 0.12 -0.89 0.71 0.08 -2.12 0.00 0.00 175.29 173.18 2poa s VAL 97 N 3.95 5.31 0.47 1.09 1.01 0.36 -1.34 120.40 131.25 2poa s VAL 97 Ca 0.58 -2.51 0.07 0.00 0.00 0.00 0.00 61.98 60.12 2poa s VAL 97 Cb -0.22 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.89 2poa s VAL 97 CO 0.20 -1.00 0.64 -1.81 0.00 0.00 0.00 175.10 173.13 2poa s ASP 98 N 1.98 5.49 0.02 3.32 1.11 -1.26 -1.02 116.67 126.31 2poa s ASP 98 Ca 0.17 -0.45 0.01 0.00 0.18 0.00 0.00 52.55 52.47 2poa s ASP 98 Cb -0.12 -0.51 0.05 0.00 1.07 0.00 0.00 42.92 43.41 2poa s ASP 98 CO -0.08 -0.93 1.01 -0.81 1.18 0.00 0.00 175.17 175.55 2poa n PRO 99 N -1.99 0.01 -0.01 8.23 -0.04 -1.26 -1.19 135.00 138.74 2poa n PRO 99 Ca 0.09 0.49 0.09 0.00 -0.04 0.00 0.00 63.50 64.13 2poa n PRO 99 Cb 0.60 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.52 0.73 -1.53 0.54 0.00 -1.26 -5.13 118.16 109.99 2poa n LYS 100 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.19 2poa n LYS 100 Cb 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.66 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2poa n ASN 101 N -1.94 -5.41 -4.75 3.14 3.02 -0.34 -5.03 115.26 103.95 2poa n ASN 101 Ca -0.02 0.80 -0.40 0.00 -0.03 0.00 0.00 54.58 54.94 2poa n ASN 101 Cb 0.41 -2.91 -0.05 0.00 -0.61 0.00 0.00 39.78 36.62 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2poa s THR 102 N -0.27 4.55 0.43 3.41 2.01 -0.45 -4.86 115.64 120.46 2poa s THR 102 Ca 0.00 1.75 -0.21 0.00 0.31 0.00 0.00 61.69 63.54 2poa s THR 102 Cb 0.00 -4.17 -0.11 0.00 0.01 0.00 0.00 72.50 68.23 2poa s THR 102 CO 0.00 0.41 0.96 -0.89 -0.69 0.00 0.00 174.62 174.41 2poa s THR 103 N -0.44 4.33 -0.39 -0.82 2.01 -0.61 -4.31 115.64 115.41 2poa s THR 103 Ca 0.39 1.47 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 2poa s THR 103 Cb -0.22 -3.60 -0.13 0.00 0.01 0.00 0.00 72.50 68.55 2poa s THR 103 CO 0.26 -0.30 1.54 1.33 -0.69 0.00 0.00 174.62 176.76 2poa n VAL 104 N -0.62 0.00 1.20 3.82 0.24 -1.26 -4.05 118.33 117.66 2poa n VAL 104 Ca 0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.50 2poa n VAL 104 Cb 0.54 -0.35 0.47 0.00 -1.47 0.00 0.00 33.84 33.03 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 4.60 0.00 -2.85 1.34 -6.64 -1.26 -4.58 119.36 109.98 2poa n ILE 105 Ca 0.39 -0.05 -0.18 0.00 -1.77 0.00 0.00 62.75 61.15 2poa n ILE 105 Cb -0.02 0.03 0.02 0.00 -1.44 0.00 0.00 39.64 38.23 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 -1.13 -2.40 -2.57 7.28 0.24 -1.26 -1.94 118.33 116.54 2poa n VAL 106 Ca 0.10 0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 62.20 2poa n VAL 106 Cb 0.32 -2.62 -0.03 0.00 -1.47 0.00 0.00 33.84 30.04 2poa n VAL 106 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2poa s ARG 107 N -1.44 3.32 -0.27 7.34 0.52 0.40 -3.49 118.95 125.33 2poa s ARG 107 Ca 0.17 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 2poa s ARG 107 Cb -0.02 -4.11 0.05 0.00 0.52 0.00 0.00 34.95 31.39 2poa s ARG 107 CO 0.39 -1.95 -0.07 -2.00 0.02 0.00 0.00 175.30 171.68 2poa s GLU 108 N 5.37 2.37 -0.11 3.54 2.12 -0.31 -1.36 118.70 130.31 2poa s GLU 108 Ca 0.38 -1.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.14 2poa s GLU 108 Cb -0.08 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 2poa s GLU 108 CO 0.19 -0.56 0.97 0.54 -0.54 0.00 0.00 175.26 175.86 2poa s VAL 109 N 1.17 4.81 -0.77 3.70 0.11 -1.25 -0.61 120.40 127.57 2poa s VAL 109 Ca -0.07 1.96 -0.02 0.00 -2.93 0.00 0.00 61.98 60.92 2poa s VAL 109 Cb -0.19 -4.28 0.37 0.00 -1.53 0.00 0.00 36.38 30.74 2poa s VAL 109 CO -0.04 0.02 2.07 0.47 -3.33 0.00 0.00 175.10 174.28 2poa n ASP 110 N 4.99 7.53 -1.67 3.54 9.92 -0.39 -4.83 116.55 135.64 2poa n ASP 110 Ca 0.08 -3.78 -0.01 0.00 -0.53 0.00 0.00 54.79 50.55 2poa n ASP 110 Cb 0.49 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 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 -0.63 3.36 0.44 0.00 -1.26 -4.44 105.19 102.08 2poa n GLY 111 Ca 0.56 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.71 -4.28 -3.42 1.61 8.00 -1.26 -4.97 116.55 111.53 2poa n ASP 112 Ca 0.01 -0.41 -0.23 0.00 0.71 0.00 0.00 54.79 54.86 2poa n ASP 112 Cb 0.22 -3.50 -0.10 0.00 -0.02 0.00 0.00 41.12 37.72 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 -3.02 -0.10 -0.44 -3.53 -1.32 -1.26 -3.07 115.64 102.92 2poa s THR 113 Ca 0.41 -1.31 -0.27 0.00 -1.21 0.00 0.00 61.69 59.31 2poa s THR 113 Cb -0.21 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 69.82 2poa s THR 113 CO 0.51 -0.79 2.18 -0.32 -2.21 0.00 0.00 174.62 173.99 2poa s MET 114 N 1.32 2.58 -0.57 7.08 1.75 -0.10 -1.26 119.30 130.09 2poa s MET 114 Ca 0.17 1.38 -0.11 0.00 -1.25 0.00 0.00 55.69 55.88 2poa s MET 114 Cb -0.19 -4.45 0.14 0.00 2.84 0.00 0.00 34.83 33.17 2poa s MET 114 CO -0.04 -2.75 0.47 0.21 -0.65 0.00 0.00 175.02 172.27 2poa s LYS 115 N 7.29 2.82 -0.39 4.11 2.20 0.23 -1.43 119.74 134.57 2poa s LYS 115 Ca 0.90 -1.95 -0.07 0.00 -0.36 0.00 0.00 55.97 54.49 2poa s LYS 115 Cb -0.20 -4.10 0.07 0.00 -1.51 0.00 0.00 37.83 32.09 2poa s LYS 115 CO 0.28 -1.25 0.19 -0.08 -0.36 0.00 0.00 175.35 174.14 2poa s THR 116 N 1.07 3.86 -0.80 3.43 -1.32 0.18 -1.17 115.64 120.90 2poa s THR 116 Ca 0.08 -1.45 -0.26 0.00 -1.21 0.00 0.00 61.69 58.86 2poa s THR 116 Cb -0.24 -3.36 0.02 0.00 -1.51 0.00 0.00 72.50 67.41 2poa s THR 116 CO -0.01 -0.43 1.50 -0.89 -2.21 0.00 0.00 174.62 172.57 2poa s THR 117 N 1.36 3.67 -0.61 5.08 2.01 -0.82 -1.75 115.64 124.58 2poa s THR 117 Ca 0.02 -0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 2poa s THR 117 Cb -0.22 -4.68 0.05 0.00 0.01 0.00 0.00 72.50 67.66 2poa s THR 117 CO 0.01 -1.61 1.00 0.54 -0.69 0.00 0.00 174.62 173.87 2poa s VAL 118 N 6.62 4.27 0.22 3.82 0.11 -0.21 -4.33 120.40 130.91 2poa s VAL 118 Ca 0.47 0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.70 2poa s VAL 118 Cb -0.07 -4.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.10 2poa s VAL 118 CO 0.08 -1.33 0.12 0.28 -3.33 0.00 0.00 175.10 170.92 2poa s THR 119 N 4.24 4.19 -0.41 5.04 -1.32 -1.26 -0.17 115.64 125.96 2poa s THR 119 Ca 0.29 -1.42 0.03 0.00 -1.21 0.00 0.00 61.69 59.38 2poa s THR 119 Cb -0.13 -3.21 0.16 0.00 -1.51 0.00 0.00 72.50 67.81 2poa s THR 119 CO 0.16 -0.27 0.36 -0.69 -2.21 0.00 0.00 174.62 171.98 2poa s VAL 120 N -2.02 0.05 0.00 5.08 1.01 -1.26 -1.57 120.40 121.68 2poa s VAL 120 Ca 0.31 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2poa s VAL 120 Cb -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2poa s VAL 120 CO 0.23 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.98 2poa n GLY 121 N 3.27 0.66 2.75 4.51 0.00 -1.26 -4.29 105.19 110.84 2poa n GLY 121 Ca 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 1.69 -3.18 0.03 1.61 5.75 -1.26 -5.02 116.55 116.16 2poa n ASP 122 Ca 0.00 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 2poa n ASP 122 Cb 0.00 1.77 0.00 0.00 -1.03 0.00 0.00 41.12 41.86 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2poa n VAL 123 N 2.36 0.00 -2.42 2.12 0.31 -1.26 -5.10 118.33 114.34 2poa n VAL 123 Ca 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.43 2poa n VAL 123 Cb 0.59 -0.10 0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 -2.70 -8.47 -3.50 2.52 -1.04 -1.22 -4.98 114.28 94.90 2poa n THR 124 Ca 0.00 0.76 -0.42 0.00 -2.04 0.00 0.00 64.05 62.35 2poa n THR 124 Cb 0.00 -6.25 -0.10 0.00 -1.82 0.00 0.00 70.33 62.16 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 -1.92 3.42 -0.86 2.41 0.00 0.76 -4.75 121.76 120.83 2poa s ALA 125 Ca 0.14 -1.87 -0.25 0.00 0.00 0.00 0.00 51.96 49.98 2poa s ALA 125 Cb -0.04 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 2poa s ALA 125 CO 0.54 -1.53 1.76 -1.50 0.00 0.00 0.00 175.76 175.02 2poa s ILE 126 N 1.61 3.56 -0.54 0.00 1.10 -1.26 -1.04 121.20 124.63 2poa s ILE 126 Ca 0.04 -0.29 -0.24 0.00 -0.51 0.00 0.00 60.65 59.65 2poa s ILE 126 Cb -0.21 -4.32 0.04 0.00 0.15 0.00 0.00 42.46 38.13 2poa s ILE 126 CO 0.07 -1.25 0.90 -0.13 -2.11 0.00 0.00 174.94 172.43 2poa s ARG 127 N 6.44 3.32 -0.23 3.50 0.52 -0.72 -4.38 118.95 127.39 2poa s ARG 127 Ca 0.61 -0.31 -0.06 0.00 -0.52 0.00 0.00 55.73 55.44 2poa s ARG 127 Cb -0.06 -4.05 -0.02 0.00 0.52 0.00 0.00 34.95 31.33 2poa s ARG 127 CO 0.02 -1.44 0.03 1.21 0.02 0.00 0.00 175.30 175.15 2poa s ASN 128 N 2.79 4.91 -0.03 0.23 3.84 -1.25 -0.65 114.94 124.78 2poa s ASN 128 Ca 0.29 -0.24 0.05 0.00 0.21 0.00 0.00 52.86 53.17 2poa s ASN 128 Cb -0.13 -1.87 -0.01 0.00 -0.55 0.00 0.00 41.25 38.69 2poa s ASN 128 CO 0.19 -0.01 -0.18 -0.31 -2.79 0.00 0.00 177.10 174.00 2poa s TYR 129 N 1.43 1.72 0.13 0.43 1.51 -0.51 0.36 117.35 122.42 2poa s TYR 129 Ca 0.05 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 55.56 2poa s TYR 129 Cb -0.15 -1.14 -0.06 0.00 -0.11 0.00 0.00 41.96 40.50 2poa s TYR 129 CO 0.02 -0.11 0.49 0.15 -1.11 0.00 0.00 175.55 174.99 2poa s LYS 130 N -0.16 3.89 -0.05 -0.62 -0.14 -0.38 -0.93 119.74 121.35 2poa s LYS 130 Ca 0.01 0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 2poa s LYS 130 Cb -0.10 -2.94 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 2poa s LYS 130 CO 0.01 0.50 1.06 0.50 -0.76 0.00 0.00 175.35 176.66 2poa s ARG 131 N -1.99 4.44 -0.17 1.68 3.52 -1.17 -2.75 118.95 122.50 2poa s ARG 131 Ca 0.37 1.49 0.01 0.00 -0.13 0.00 0.00 55.73 57.46 2poa s ARG 131 Cb -0.14 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 2poa s ARG 131 CO 0.19 -0.27 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.72 2poa s LEU 132 N 1.73 2.30 0.00 -0.88 1.43 -0.30 -5.03 118.68 117.93 2poa s LEU 132 Ca 0.52 -0.56 0.14 0.00 -1.03 0.00 0.00 54.13 53.20 2poa s LEU 132 Cb -0.21 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.60 2poa s LEU 132 CO 0.22 0.04 0.95 -1.54 0.23 0.00 0.00 176.35 176.25