#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 0.10 -0.08 7.83 0.02 -1.99 -3.29 113.55 116.15 2poa h SER 2 Ca 0.00 -0.74 0.02 0.00 -0.84 0.00 0.00 61.79 60.23 2poa h SER 2 Cb 0.00 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2poa h SER 2 CO 0.00 1.39 0.28 -1.28 -1.14 0.00 0.00 176.83 176.07 2poa h SER 3 N -0.82 0.00 1.84 3.07 0.87 -2.02 -2.61 113.55 113.89 2poa h SER 3 Ca -0.24 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2poa h SER 3 Cb 1.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2poa h SER 3 CO -0.08 0.00 -0.16 -0.26 -0.53 0.00 0.00 176.83 175.80 2poa h PHE 4 N 0.00 0.00 -2.67 2.24 0.04 -1.76 -3.49 116.94 111.30 2poa h PHE 4 Ca 0.04 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.28 2poa h PHE 4 Cb 0.59 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.77 2poa h PHE 4 CO 0.00 0.00 1.01 -0.51 -0.60 0.00 0.00 178.31 178.21 2poa s LEU 5 N -6.08 4.38 0.00 1.54 1.43 -0.99 -4.67 118.68 114.30 2poa s LEU 5 Ca 0.06 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2poa s LEU 5 Cb 0.06 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2poa s LEU 5 CO 0.69 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.97 2poa n GLY 6 N 4.01 2.31 3.78 -3.19 0.00 0.21 -4.88 105.19 107.44 2poa n GLY 6 Ca 0.16 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.61 4.56 -0.16 1.61 0.00 -0.61 -0.90 119.74 122.62 2poa s LYS 7 Ca 0.00 1.19 -0.00 0.00 0.00 0.00 0.00 55.97 57.16 2poa s LYS 7 Cb 0.00 -3.09 -0.00 0.00 0.00 0.00 0.00 37.83 34.74 2poa s LYS 7 CO 0.00 0.47 -0.14 -1.58 0.00 0.00 0.00 175.35 174.10 2poa s TRP 8 N -1.33 2.81 -0.10 1.78 0.52 -1.25 -0.78 118.94 120.58 2poa s TRP 8 Ca 0.41 -1.01 0.03 0.00 0.02 0.00 0.00 56.10 55.54 2poa s TRP 8 Cb -0.21 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 2poa s TRP 8 CO 0.26 -0.47 -0.18 0.15 0.02 0.00 0.00 176.95 176.72 2poa s LYS 9 N 0.87 3.05 0.07 4.98 -0.14 -1.03 -3.68 119.74 123.85 2poa s LYS 9 Ca -0.04 -0.78 -0.31 0.00 -1.36 0.00 0.00 55.97 53.49 2poa s LYS 9 Cb -0.15 -2.43 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 2poa s LYS 9 CO -0.01 0.28 1.50 -1.17 -0.76 0.00 0.00 175.35 175.20 2poa s LEU 10 N 0.13 4.35 0.02 3.17 2.96 -1.26 -1.07 118.68 126.97 2poa s LEU 10 Ca -0.09 2.34 -0.13 0.00 -0.22 0.00 0.00 54.13 56.02 2poa s LEU 10 Cb -0.15 -3.57 -0.34 0.00 0.50 0.00 0.00 46.19 42.63 2poa s LEU 10 CO 0.06 -0.77 0.93 -1.28 -1.32 0.00 0.00 176.35 173.97 2poa h SER 11 N 7.65 0.75 -5.08 3.68 0.87 -0.80 -3.47 113.55 117.16 2poa h SER 11 Ca -0.41 -0.87 -0.07 0.00 -1.23 0.00 0.00 61.79 59.21 2poa h SER 11 Cb 1.20 -0.25 -0.14 0.00 -0.44 0.00 0.00 62.40 62.77 2poa h SER 11 CO 0.90 1.70 -0.16 -1.83 -0.53 0.00 0.00 176.83 176.91 2poa s GLU 12 N -2.60 0.97 -0.42 2.24 4.04 -1.20 -5.01 118.70 116.71 2poa s GLU 12 Ca -0.10 -0.67 -0.00 0.00 0.04 0.00 0.00 54.97 54.24 2poa s GLU 12 Cb 0.05 0.42 0.11 0.00 0.02 0.00 0.00 34.13 34.73 2poa s GLU 12 CO 0.92 -0.35 0.19 0.45 -1.84 0.00 0.00 175.26 174.63 2poa s SER 13 N -2.58 5.04 -0.03 0.83 0.15 -1.26 -3.81 113.70 112.04 2poa s SER 13 Ca 0.01 -2.24 -0.00 0.00 0.70 0.00 0.00 55.95 54.41 2poa s SER 13 Cb 0.02 -1.76 -0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2poa s SER 13 CO -0.09 -0.45 0.00 -0.74 1.20 0.00 0.00 173.24 173.16 2poa h HIS 14 N 7.68 -0.00 -0.19 3.44 2.76 -1.93 -3.40 115.15 123.50 2poa h HIS 14 Ca -0.09 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.01 2poa h HIS 14 Cb 1.02 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.93 2poa h HIS 14 CO 0.54 -0.00 -0.16 0.09 -1.30 0.00 0.00 177.93 177.10 2poa n ASN 15 N -2.71 2.50 -3.98 3.26 3.02 -1.26 -4.98 115.26 111.10 2poa n ASN 15 Ca -0.00 -3.57 -0.43 0.00 -0.03 0.00 0.00 54.58 50.55 2poa n ASN 15 Cb 0.00 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -1.07 3.48 0.15 3.10 7.35 -1.26 -3.99 117.46 125.22 2poa n PHE 16 Ca 0.25 -2.92 0.00 0.00 -0.76 0.00 0.00 57.45 54.02 2poa n PHE 16 Cb 0.86 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 38.56 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 4.80 -2.01 0.20 -2.13 5.75 -1.26 -4.26 116.55 117.65 2poa n ASP 17 Ca 0.42 0.56 0.08 0.00 -0.01 0.00 0.00 54.79 55.84 2poa n ASP 17 Cb 0.38 2.01 0.30 0.00 -1.03 0.00 0.00 41.12 42.78 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2poa h ALA 18 N 0.00 0.91 -0.63 2.12 0.00 -1.98 -2.67 119.26 117.01 2poa h ALA 18 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.79 2poa h ALA 18 Cb 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.63 2poa h ALA 18 CO 0.00 0.33 -0.25 -0.24 0.00 0.00 0.00 179.25 179.09 2poa h VAL 19 N 0.00 0.24 0.00 0.00 3.04 -1.94 0.11 116.25 117.71 2poa h VAL 19 Ca -0.00 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.51 2poa h VAL 19 Cb 0.96 0.24 -0.03 0.00 -2.01 0.00 0.00 31.29 30.45 2poa h VAL 19 CO 0.03 0.00 -1.77 0.23 -1.01 0.00 0.00 177.57 175.06 2poa n MET 20 N -5.45 0.65 -0.11 4.17 2.81 -1.25 -3.73 117.12 114.21 2poa n MET 20 Ca 0.06 0.07 -0.06 0.00 -1.81 0.00 0.00 57.70 55.97 2poa n MET 20 Cb 0.35 -1.68 0.13 0.00 -0.71 0.00 0.00 33.22 31.32 2poa n MET 20 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2poa h SER 21 N 0.00 0.79 0.48 7.83 0.87 -1.44 0.59 113.55 122.67 2poa h SER 21 Ca -0.22 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 2poa h SER 21 Cb 1.60 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2poa h SER 21 CO 0.03 0.89 -0.24 0.07 -0.53 0.00 0.00 176.83 177.05 2poa h LYS 22 N 0.75 0.00 0.06 2.24 5.09 -0.96 -3.20 116.57 120.56 2poa h LYS 22 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.87 2poa h LYS 22 Cb 0.53 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.86 2poa h LYS 22 CO 0.03 0.24 -0.03 1.25 -2.09 0.00 0.00 179.45 178.85 2poa h LEU 23 N 0.00 -0.07 0.00 7.07 5.85 -1.62 -3.49 115.31 123.05 2poa h LEU 23 Ca -0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2poa h LEU 23 Cb 0.54 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2poa h LEU 23 CO 0.03 0.48 0.00 0.61 -0.34 0.00 0.00 178.44 179.22 2poa n GLY 24 N 0.43 -0.78 3.50 3.75 0.00 0.17 -4.57 105.19 107.70 2poa n GLY 24 Ca -0.09 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2poa n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2poa s VAL 25 N 0.00 4.82 0.55 1.61 1.01 -1.03 -4.88 120.40 122.48 2poa s VAL 25 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 2poa s VAL 25 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2poa s VAL 25 CO 0.00 0.21 1.23 -0.44 0.00 0.00 0.00 175.10 176.11 2poa s SER 26 N 1.68 5.43 0.00 3.32 0.01 -1.26 -4.65 113.70 118.23 2poa s SER 26 Ca 0.06 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2poa s SER 26 Cb -0.16 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2poa s SER 26 CO 0.07 -1.43 0.27 0.79 0.41 0.00 0.00 173.24 173.35 2poa n TRP 27 N -1.21 0.00 -0.13 2.43 7.02 -1.26 -1.60 117.44 122.69 2poa n TRP 27 Ca 0.11 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.33 2poa n TRP 27 Cb 0.48 -0.05 -0.11 0.00 -2.42 0.00 0.00 31.31 29.21 2poa n TRP 27 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2poa n ALA 28 N 0.23 1.22 0.31 6.99 0.00 -1.26 -4.62 120.51 123.38 2poa n ALA 28 Ca 0.00 -1.06 0.16 0.00 0.00 0.00 0.00 53.44 52.54 2poa n ALA 28 Cb 0.13 0.03 0.68 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.77 0.00 0.00 0.00 1.35 -1.67 -3.26 112.91 108.56 2poa h THR 29 Ca -0.65 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2poa h THR 29 Cb 1.67 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2poa h THR 29 CO -0.33 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 173.80 2poa n ARG 30 N -2.85 0.59 -0.28 4.72 0.00 -0.63 -1.23 116.66 116.98 2poa n ARG 30 Ca 0.01 0.02 0.08 0.00 -0.00 0.00 0.00 57.85 57.96 2poa n ARG 30 Cb 0.26 -1.50 0.14 0.00 0.00 0.00 0.00 32.46 31.37 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 -1.06 1.23 -0.08 -0.14 0.00 -1.23 -4.62 117.38 111.47 2poa n GLN 31 Ca 0.15 -2.63 -0.11 0.00 0.00 0.00 0.00 57.00 54.40 2poa n GLN 31 Cb 0.09 -1.41 -0.07 0.00 0.00 0.00 0.00 30.24 28.85 2poa n GLN 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2poa n ILE 32 N -1.19 0.91 -0.12 -0.39 -0.00 -0.66 -4.60 119.36 113.32 2poa n ILE 32 Ca 0.15 -0.34 -0.08 0.00 -0.00 0.00 0.00 62.75 62.48 2poa n ILE 32 Cb 0.67 -1.10 -0.02 0.00 -0.00 0.00 0.00 39.64 39.19 2poa n ILE 32 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2poa h GLY 33 N 1.12 -0.34 -4.55 7.39 0.00 -1.44 0.11 103.07 105.35 2poa h GLY 33 Ca -0.36 0.45 -0.56 0.00 0.00 0.00 0.00 47.33 46.86 2poa h GLY 33 CO -0.07 -0.20 0.59 1.16 0.00 0.00 0.00 176.54 178.02 2poa n ASN 34 N -5.42 6.79 0.05 0.19 6.94 -1.26 -4.58 115.26 117.98 2poa n ASN 34 Ca 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 54.58 51.18 2poa n ASN 34 Cb 0.34 -1.17 0.00 0.00 -2.36 0.00 0.00 39.78 36.59 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 0.40 0.00 -3.43 5.53 -1.04 -0.96 -5.01 114.28 109.77 2poa n THR 35 Ca 0.49 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 62.07 2poa n THR 35 Cb 0.48 -0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.89 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 -1.22 5.25 -0.08 12.58 1.01 0.33 -5.03 120.40 133.23 2poa s VAL 36 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 2poa s VAL 36 Cb 0.00 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 2poa s VAL 36 CO 0.00 -0.42 2.00 0.35 0.00 0.00 0.00 175.10 177.03 2poa n THR 37 N 5.18 0.59 -2.03 3.92 -2.24 -1.26 -4.69 114.28 113.75 2poa n THR 37 Ca -0.12 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 2poa n THR 37 Cb 0.46 -2.15 -0.03 0.00 -2.10 0.00 0.00 70.33 66.51 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 4.80 3.73 -1.39 -0.78 0.04 -1.26 -4.80 135.00 135.33 2poa s PRO 38 Ca 0.94 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.59 2poa s PRO 38 Cb -0.54 -4.08 0.09 0.00 0.04 0.00 0.00 34.50 30.00 2poa s PRO 38 CO 0.45 -1.38 2.09 2.41 0.04 0.00 0.00 177.00 180.61 2poa n THR 39 N 6.54 3.78 -2.59 1.26 -1.04 -1.26 -4.79 114.28 116.18 2poa n THR 39 Ca 0.20 -3.52 -0.41 0.00 -2.04 0.00 0.00 64.05 58.27 2poa n THR 39 Cb 0.45 -2.52 -0.03 0.00 -1.82 0.00 0.00 70.33 66.42 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 2.22 4.01 -0.54 12.58 -7.23 -1.24 -2.89 120.40 127.31 2poa s VAL 40 Ca 0.44 -0.99 -0.16 0.00 -1.81 0.00 0.00 61.98 59.46 2poa s VAL 40 Cb 0.12 -5.06 0.11 0.00 0.56 0.00 0.00 36.38 32.12 2poa s VAL 40 CO -0.05 -1.92 0.52 -0.89 -0.31 0.00 0.00 175.10 172.45 2poa s THR 41 N 4.69 5.14 -0.35 5.32 2.01 -1.26 -3.96 115.64 127.24 2poa s THR 41 Ca 0.46 -1.32 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 2poa s THR 41 Cb 0.00 -4.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2poa s THR 41 CO -0.07 -0.86 0.48 0.12 -0.69 0.00 0.00 174.62 173.59 2poa s PHE 42 N 1.81 3.19 -0.04 4.92 5.36 -0.08 -0.45 117.98 132.68 2poa s PHE 42 Ca 0.05 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.11 2poa s PHE 42 Cb -0.28 -2.87 0.01 0.00 -0.34 0.00 0.00 43.02 39.54 2poa s PHE 42 CO 0.04 -0.52 0.13 0.95 -1.46 0.00 0.00 175.22 174.36 2poa s THR 43 N 2.31 0.01 -0.58 0.12 -4.23 -0.69 -0.62 115.64 111.96 2poa s THR 43 Ca 0.17 -0.07 -0.27 0.00 -1.18 0.00 0.00 61.69 60.34 2poa s THR 43 Cb -0.16 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.51 2poa s THR 43 CO 0.13 -0.04 1.16 -0.32 -0.54 0.00 0.00 174.62 175.01 2poa s MET 44 N -0.06 3.47 -1.06 3.99 1.75 -1.26 -0.42 119.30 125.70 2poa s MET 44 Ca -0.01 0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.45 2poa s MET 44 Cb -0.02 -4.03 0.24 0.00 2.84 0.00 0.00 34.83 33.87 2poa s MET 44 CO 0.00 -1.67 1.10 -0.51 -0.65 0.00 0.00 175.02 173.29 2poa s ASP 45 N 2.98 7.14 0.00 1.11 1.11 -0.45 -4.78 116.67 123.78 2poa s ASP 45 Ca 0.40 -3.24 0.00 0.00 0.18 0.00 0.00 52.55 49.89 2poa s ASP 45 Cb -0.08 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.66 2poa s ASP 45 CO 0.24 -0.46 0.00 0.61 1.18 0.00 0.00 175.17 176.74 2poa n GLY 46 N 3.32 2.31 0.11 0.21 0.00 -1.26 -4.01 105.19 105.87 2poa n GLY 46 Ca 0.24 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2poa n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2poa n ASP 47 N 4.45 1.95 -4.24 1.61 2.03 -1.26 -5.12 116.55 115.97 2poa n ASP 47 Ca 0.00 0.34 -0.13 0.00 0.52 0.00 0.00 54.79 55.51 2poa n ASP 47 Cb 0.00 -0.78 -0.10 0.00 -0.72 0.00 0.00 41.12 39.52 2poa n ASP 47 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2poa s LYS 48 N -2.73 1.05 0.17 -0.67 -2.85 -1.26 -5.02 119.74 108.44 2poa s LYS 48 Ca -0.34 -1.48 -0.30 0.00 -1.00 0.00 0.00 55.97 52.86 2poa s LYS 48 Cb 0.09 -0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 35.40 2poa s LYS 48 CO 0.46 -0.04 1.08 -1.64 0.10 0.00 0.00 175.35 175.30 2poa s MET 49 N -3.84 4.61 -0.04 1.78 -1.94 -0.54 -1.35 119.30 117.98 2poa s MET 49 Ca 0.19 1.68 0.01 0.00 -1.71 0.00 0.00 55.69 55.86 2poa s MET 49 Cb 0.05 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.62 2poa s MET 49 CO 0.01 0.10 -0.04 0.99 -0.01 0.00 0.00 175.02 176.07 2poa s THR 50 N -0.21 0.50 -0.46 2.05 2.01 0.44 -1.72 115.64 118.24 2poa s THR 50 Ca 0.49 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.15 2poa s THR 50 Cb -0.28 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 71.72 2poa s THR 50 CO 0.34 0.22 0.87 -0.04 -0.69 0.00 0.00 174.62 175.32 2poa s MET 51 N 0.99 3.47 -1.29 4.92 -1.94 -0.68 -1.70 119.30 123.06 2poa s MET 51 Ca -0.10 0.03 -0.08 0.00 -1.71 0.00 0.00 55.69 53.82 2poa s MET 51 Cb -0.14 -3.94 0.15 0.00 2.01 0.00 0.00 34.83 32.91 2poa s MET 51 CO -0.00 -1.19 2.00 1.28 -0.01 0.00 0.00 175.02 177.10 2poa n LEU 52 N 7.00 7.01 -4.63 -0.03 4.77 0.40 -1.62 117.00 129.89 2poa n LEU 52 Ca 0.04 -4.70 -0.43 0.00 -0.03 0.00 0.00 56.01 50.89 2poa n LEU 52 Cb 0.48 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 2poa n LEU 52 CO 0.62 1.55 1.21 -0.89 -1.33 0.00 0.00 177.39 178.55 2poa s THR 53 N 0.02 4.00 -0.60 -5.08 2.01 -0.91 -4.03 115.64 111.05 2poa s THR 53 Ca 0.43 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.62 2poa s THR 53 Cb 0.12 -3.98 0.17 0.00 0.01 0.00 0.00 72.50 68.81 2poa s THR 53 CO -0.02 -0.37 0.43 -0.70 -0.69 0.00 0.00 174.62 173.27 2poa s GLU 54 N 4.25 1.93 0.47 4.92 -6.30 -1.14 0.07 118.70 122.90 2poa s GLU 54 Ca 0.61 -2.90 0.05 0.00 -2.50 0.00 0.00 54.97 50.23 2poa s GLU 54 Cb -0.20 -2.76 -0.03 0.00 0.00 0.00 0.00 34.13 31.14 2poa s GLU 54 CO 0.24 -1.31 0.14 -1.12 0.02 0.00 0.00 175.26 173.23 2poa s SER 55 N -0.90 4.27 0.18 -1.70 0.01 -0.69 -4.00 113.70 110.88 2poa s SER 55 Ca 0.27 -1.35 -0.11 0.00 1.31 0.00 0.00 55.95 56.07 2poa s SER 55 Cb -0.03 0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.34 2poa s SER 55 CO -0.17 -0.74 1.73 0.74 0.41 0.00 0.00 173.24 175.21 2poa h THR 56 N 1.33 1.24 0.00 1.44 2.02 -1.95 -3.23 112.91 113.76 2poa h THR 56 Ca -0.42 -0.77 -0.45 0.00 0.77 0.00 0.00 66.41 65.54 2poa h THR 56 Cb 1.28 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 2poa h THR 56 CO 0.71 0.30 -2.45 0.49 0.37 0.00 0.00 175.52 174.94 2poa n PHE 57 N -4.40 0.07 -2.66 3.16 3.01 -1.26 -4.73 117.46 110.65 2poa n PHE 57 Ca 0.04 0.03 -0.43 0.00 1.01 0.00 0.00 57.45 58.10 2poa n PHE 57 Cb 0.18 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.65 2poa n PHE 57 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2poa n LYS 58 N -4.27 3.42 -3.47 -1.08 4.01 -1.26 -4.62 118.16 110.90 2poa n LYS 58 Ca -0.53 -3.64 -0.43 0.00 -0.51 0.00 0.00 58.31 53.20 2poa n LYS 58 Cb 0.87 -3.05 -0.05 0.00 -0.51 0.00 0.00 35.03 32.29 2poa n LYS 58 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2poa s ASN 59 N 2.31 6.25 -0.28 4.39 3.84 -1.22 -1.70 114.94 128.54 2poa s ASN 59 Ca 0.43 -2.80 -0.22 0.00 0.21 0.00 0.00 52.86 50.48 2poa s ASN 59 Cb 0.03 -2.08 0.09 0.00 -0.55 0.00 0.00 41.25 38.73 2poa s ASN 59 CO 0.01 -0.49 0.78 -1.48 -2.79 0.00 0.00 177.10 173.12 2poa s LEU 60 N 0.01 -0.74 -0.07 3.21 0.05 0.11 -4.95 118.68 116.30 2poa s LEU 60 Ca 0.18 1.34 -0.12 0.00 0.05 0.00 0.00 54.13 55.58 2poa s LEU 60 Cb -0.13 2.31 -0.05 0.00 -2.05 0.00 0.00 46.19 46.27 2poa s LEU 60 CO -0.07 -0.22 0.30 -0.94 -0.55 0.00 0.00 176.35 174.87 2poa s SER 61 N 0.76 6.61 -0.11 1.48 1.04 -1.26 -2.13 113.70 120.08 2poa s SER 61 Ca -0.03 0.72 -0.00 0.00 0.48 0.00 0.00 55.95 57.12 2poa s SER 61 Cb -0.05 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.91 2poa s SER 61 CO -0.07 0.31 -0.08 0.68 0.98 0.00 0.00 173.24 175.05 2poa s VAL 62 N -0.76 1.08 -0.04 5.02 -7.23 -0.64 -5.00 120.40 112.83 2poa s VAL 62 Ca 0.20 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.02 2poa s VAL 62 Cb -0.14 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2poa s VAL 62 CO 0.09 0.37 0.09 -0.89 -0.31 0.00 0.00 175.10 174.45 2poa s THR 63 N 1.62 4.87 0.04 5.32 2.01 -1.26 -1.69 115.64 126.54 2poa s THR 63 Ca 0.04 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.54 2poa s THR 63 Cb -0.13 -3.17 0.09 0.00 0.01 0.00 0.00 72.50 69.30 2poa s THR 63 CO -0.08 0.45 0.75 0.72 -0.69 0.00 0.00 174.62 175.78 2poa s PHE 64 N -1.11 -0.47 0.32 4.92 -0.12 -0.70 -4.75 117.98 116.07 2poa s PHE 64 Ca 0.20 0.44 0.07 0.00 -0.05 0.00 0.00 56.93 57.59 2poa s PHE 64 Cb -0.12 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 2poa s PHE 64 CO 0.10 -0.66 0.26 -1.59 -0.05 0.00 0.00 175.22 173.28 2poa s LYS 65 N -2.89 2.71 -1.23 1.99 -2.85 -1.26 -1.47 119.74 114.74 2poa s LYS 65 Ca 0.00 -1.29 -0.17 0.00 -1.00 0.00 0.00 55.97 53.52 2poa s LYS 65 Cb -0.01 -2.45 -0.03 0.00 -2.06 0.00 0.00 37.83 33.28 2poa s LYS 65 CO -0.07 0.14 2.12 1.97 0.10 0.00 0.00 175.35 179.62 2poa n PHE 66 N -1.32 2.99 0.00 1.78 1.16 -1.26 -3.43 117.46 117.38 2poa n PHE 66 Ca -0.03 -2.58 0.00 0.00 -1.87 0.00 0.00 57.45 52.98 2poa n PHE 66 Cb 0.60 -2.27 0.00 0.00 -1.61 0.00 0.00 39.48 36.19 2poa n PHE 66 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2poa n GLY 67 N 4.27 -0.31 3.73 4.97 0.00 -0.66 -4.58 105.19 112.61 2poa n GLY 67 Ca 0.51 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 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 1.59 -0.01 1.61 2.02 -1.22 -4.50 118.70 118.19 2poa s GLU 68 Ca 0.00 1.01 -0.25 0.00 0.02 0.00 0.00 54.97 55.75 2poa s GLU 68 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 2poa s GLU 68 CO 0.00 -2.06 0.76 -1.21 0.02 0.00 0.00 175.26 172.77 2poa s GLU 69 N -4.89 4.48 0.78 1.61 2.02 -1.26 -2.99 118.70 118.44 2poa s GLU 69 Ca 0.63 1.03 -0.09 0.00 0.02 0.00 0.00 54.97 56.56 2poa s GLU 69 Cb -0.18 -3.41 0.10 0.00 0.10 0.00 0.00 34.13 30.74 2poa s GLU 69 CO 0.57 0.15 1.10 -0.59 0.02 0.00 0.00 175.26 176.51 2poa s PHE 70 N 0.43 2.53 0.05 1.61 -0.71 -1.08 -4.91 117.98 115.91 2poa s PHE 70 Ca 0.40 0.40 0.07 0.00 -1.04 0.00 0.00 56.93 56.76 2poa s PHE 70 Cb -0.19 -3.41 -0.03 0.00 -1.21 0.00 0.00 43.02 38.18 2poa s PHE 70 CO 0.21 -1.75 -0.21 0.16 -1.34 0.00 0.00 175.22 172.30 2poa s ASP 71 N -4.62 2.46 -0.24 1.98 -4.77 -1.26 -1.16 116.67 109.05 2poa s ASP 71 Ca 0.64 -0.54 -0.06 0.00 -3.30 0.00 0.00 52.55 49.29 2poa s ASP 71 Cb -0.09 -0.19 -0.02 0.00 -1.09 0.00 0.00 42.92 41.53 2poa s ASP 71 CO 0.47 0.14 0.03 -1.83 0.70 0.00 0.00 175.17 174.68 2poa s GLU 72 N -1.26 3.47 -0.31 2.11 -1.05 -0.10 -4.90 118.70 116.65 2poa s GLU 72 Ca 0.07 -0.58 -0.27 0.00 -0.15 0.00 0.00 54.97 54.04 2poa s GLU 72 Cb -0.09 -3.21 0.01 0.00 -0.44 0.00 0.00 34.13 30.41 2poa s GLU 72 CO 0.02 -0.22 0.98 0.21 0.95 0.00 0.00 175.26 177.20 2poa s LYS 73 N 1.55 4.05 -0.10 -4.83 2.36 -1.26 -1.49 119.74 120.00 2poa s LYS 73 Ca 0.06 0.95 -0.10 0.00 -2.55 0.00 0.00 55.97 54.32 2poa s LYS 73 Cb -0.15 -3.73 -0.05 0.00 -1.05 0.00 0.00 37.83 32.86 2poa s LYS 73 CO 0.01 -0.81 0.22 0.95 1.55 0.00 0.00 175.35 177.27 2poa s THR 74 N 3.40 5.36 -1.10 3.43 -4.23 -0.71 -4.97 115.64 116.83 2poa s THR 74 Ca 0.41 0.40 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 2poa s THR 74 Cb -0.13 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.25 2poa s THR 74 CO 0.14 0.56 1.10 -0.24 -0.54 0.00 0.00 174.62 175.64 2poa n SER 75 N 2.29 0.00 -0.34 3.99 2.88 -1.26 -1.15 113.62 120.03 2poa n SER 75 Ca -0.17 0.44 0.01 0.00 -1.33 0.00 0.00 58.87 57.81 2poa n SER 75 Cb 0.54 -0.45 0.14 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.97 0.00 -3.46 3.32 -1.93 -3.45 116.42 111.87 2poa h ASP 76 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2poa h ASP 76 Cb 0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2poa h ASP 76 CO 0.00 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 2poa n GLY 77 N -1.35 0.66 3.47 2.75 0.00 -0.30 -4.20 105.19 106.22 2poa n GLY 77 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 0.30 -0.28 1.61 1.70 -1.24 -5.00 118.95 115.80 2poa s ARG 78 Ca 0.00 0.68 -0.23 0.00 -0.47 0.00 0.00 55.73 55.72 2poa s ARG 78 Cb 0.00 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2poa s ARG 78 CO 0.00 -0.09 0.75 0.54 -1.08 0.00 0.00 175.30 175.42 2poa s ASN 79 N 2.10 6.67 -0.04 -2.89 4.22 -1.26 -1.74 114.94 122.00 2poa s ASN 79 Ca -0.04 0.72 0.02 0.00 -2.14 0.00 0.00 52.86 51.42 2poa s ASN 79 Cb -0.05 -2.39 0.01 0.00 1.28 0.00 0.00 41.25 40.09 2poa s ASN 79 CO -0.17 -0.54 -0.10 0.68 -2.04 0.00 0.00 177.10 174.94 2poa s VAL 80 N 2.82 0.89 0.93 3.54 -7.23 -0.56 -4.90 120.40 115.88 2poa s VAL 80 Ca 0.31 -0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 2poa s VAL 80 Cb -0.15 -0.80 0.15 0.00 0.56 0.00 0.00 36.38 36.14 2poa s VAL 80 CO 0.11 0.28 1.13 -0.54 -0.31 0.00 0.00 175.10 175.77 2poa s LYS 81 N 0.36 1.02 -0.29 4.82 3.01 -0.36 -0.93 119.74 127.38 2poa s LYS 81 Ca -0.07 0.30 0.04 0.00 -1.01 0.00 0.00 55.97 55.23 2poa s LYS 81 Cb -0.11 -1.82 0.19 0.00 -1.01 0.00 0.00 37.83 35.07 2poa s LYS 81 CO 0.01 -2.28 0.56 -1.12 0.51 0.00 0.00 175.35 173.03 2poa s SER 82 N -3.98 -1.25 -0.24 2.83 0.01 -0.31 -0.13 113.70 110.64 2poa s SER 82 Ca 0.64 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.89 2poa s SER 82 Cb -0.15 1.91 0.01 0.00 0.21 0.00 0.00 66.02 68.00 2poa s SER 82 CO 0.54 -0.30 1.00 0.54 0.41 0.00 0.00 173.24 175.43 2poa s VAL 83 N 2.79 4.70 -0.20 3.43 0.11 -0.63 -2.63 120.40 127.97 2poa s VAL 83 Ca 0.13 1.90 -0.08 0.00 -2.93 0.00 0.00 61.98 60.99 2poa s VAL 83 Cb -0.12 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 2poa s VAL 83 CO -0.25 -0.19 0.09 -0.69 -3.33 0.00 0.00 175.10 170.73 2poa s VAL 84 N 3.17 4.90 -0.06 2.04 1.01 -1.16 -1.02 120.40 129.28 2poa s VAL 84 Ca 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 2poa s VAL 84 Cb -0.15 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2poa s VAL 84 CO 0.07 0.42 0.05 -0.70 0.00 0.00 0.00 175.10 174.95 2poa s GLU 85 N 0.64 0.07 -0.32 2.72 -6.30 -1.26 -1.65 118.70 112.60 2poa s GLU 85 Ca 0.05 0.27 -0.23 0.00 -2.50 0.00 0.00 54.97 52.55 2poa s GLU 85 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 34.13 33.25 2poa s GLU 85 CO 0.01 -0.36 0.79 0.21 0.02 0.00 0.00 175.26 175.93 2poa s LYS 86 N 2.12 3.92 0.00 4.30 2.36 -1.26 -0.63 119.74 130.55 2poa s LYS 86 Ca 0.05 0.53 0.00 0.00 -2.55 0.00 0.00 55.97 54.00 2poa s LYS 86 Cb -0.13 -3.75 0.00 0.00 -1.05 0.00 0.00 37.83 32.91 2poa s LYS 86 CO -0.04 -0.72 0.00 -1.71 1.55 0.00 0.00 175.35 174.43 2poa n ASN 87 N 6.26 0.00 -4.97 1.43 2.85 0.39 -4.99 115.26 116.23 2poa n ASN 87 Ca 0.04 0.01 -0.21 0.00 -0.11 0.00 0.00 54.58 54.31 2poa n ASN 87 Cb 0.48 -0.05 0.02 0.00 1.24 0.00 0.00 39.78 41.47 2poa n ASN 87 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2poa s SER 88 N -1.27 5.58 0.00 1.20 0.15 -1.19 -4.96 113.70 113.21 2poa s SER 88 Ca 0.00 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.71 2poa s SER 88 Cb 0.00 -1.09 0.33 0.00 -1.71 0.00 0.00 66.02 63.55 2poa s SER 88 CO 0.00 -0.87 0.77 -0.62 1.20 0.00 0.00 173.24 173.72 2poa n GLU 89 N -2.11 0.19 -1.31 5.44 1.02 -1.26 -1.74 120.64 120.87 2poa n GLU 89 Ca 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 2poa n GLU 89 Cb 0.59 -1.46 0.12 0.00 -0.02 0.00 0.00 31.44 30.67 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2poa n SER 90 N -0.96 2.50 -3.15 1.62 3.41 -1.26 -4.38 113.62 111.40 2poa n SER 90 Ca 0.04 -3.44 0.04 0.00 -0.26 0.00 0.00 58.87 55.25 2poa n SER 90 Cb 0.02 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.92 0.55 -0.18 4.33 2.47 -0.71 -3.82 119.74 119.46 2poa s LYS 91 Ca 0.40 0.49 0.00 0.00 -1.56 0.00 0.00 55.97 55.31 2poa s LYS 91 Cb 0.38 0.23 0.04 0.00 -1.46 0.00 0.00 37.83 37.02 2poa s LYS 91 CO -0.05 -1.02 -0.09 -1.17 0.16 0.00 0.00 175.35 173.18 2poa s LEU 92 N 2.78 2.02 -1.07 5.43 0.20 -0.60 -0.46 118.68 126.98 2poa s LEU 92 Ca 0.11 -0.78 -0.04 0.00 0.69 0.00 0.00 54.13 54.11 2poa s LEU 92 Cb -0.09 -1.13 0.30 0.00 -0.43 0.00 0.00 46.19 44.84 2poa s LEU 92 CO -0.25 -0.15 1.43 1.07 -0.29 0.00 0.00 176.35 178.16 2poa n THR 93 N 4.75 5.18 -2.30 3.68 5.66 0.20 -0.28 114.28 131.16 2poa n THR 93 Ca -0.14 -5.87 -0.42 0.00 -3.05 0.00 0.00 64.05 54.57 2poa n THR 93 Cb 0.47 -2.13 -0.00 0.00 -1.55 0.00 0.00 70.33 67.12 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 1.44 3.05 -3.15 1.09 7.27 -1.26 -4.09 117.38 121.73 2poa n GLN 94 Ca 0.26 -3.05 -0.42 0.00 0.07 0.00 0.00 57.00 53.86 2poa n GLN 94 Cb 0.34 -3.44 -0.07 0.00 2.41 0.00 0.00 30.24 29.48 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 4.08 4.92 -0.23 1.69 2.01 -0.19 -4.62 115.64 123.31 2poa s THR 95 Ca 0.52 0.51 -0.29 0.00 0.31 0.00 0.00 61.69 62.74 2poa s THR 95 Cb 0.07 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2poa s THR 95 CO 0.03 -0.29 1.09 -1.10 -0.69 0.00 0.00 174.62 173.66 2poa s GLN 96 N 2.62 4.23 -0.78 4.92 -0.21 -1.26 -1.61 119.66 127.57 2poa s GLN 96 Ca 0.23 1.39 -0.13 0.00 0.02 0.00 0.00 55.36 56.86 2poa s GLN 96 Cb -0.15 -3.68 0.21 0.00 1.00 0.00 0.00 33.01 30.39 2poa s GLN 96 CO 0.14 -0.68 0.72 0.08 -2.12 0.00 0.00 175.29 173.43 2poa s VAL 97 N 3.32 5.44 0.52 1.09 1.01 0.82 -1.19 120.40 131.42 2poa s VAL 97 Ca 0.46 -2.41 0.05 0.00 0.00 0.00 0.00 61.98 60.09 2poa s VAL 97 Cb -0.16 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.88 2poa s VAL 97 CO 0.09 -1.00 0.72 -1.81 0.00 0.00 0.00 175.10 173.10 2poa s ASP 98 N 2.21 5.30 0.38 3.32 1.11 -1.26 -1.22 116.67 126.50 2poa s ASP 98 Ca 0.16 -0.33 0.21 0.00 0.18 0.00 0.00 52.55 52.77 2poa s ASP 98 Cb -0.13 -0.52 1.14 0.00 1.07 0.00 0.00 42.92 44.48 2poa s ASP 98 CO -0.07 -1.10 1.60 1.55 1.18 0.00 0.00 175.17 178.33 2poa h PRO 99 N 0.24 0.00 0.00 8.23 0.13 -1.94 -1.11 132.00 137.55 2poa h PRO 99 Ca -0.39 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 2poa h PRO 99 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2poa h PRO 99 CO 0.46 0.00 -1.53 1.63 -0.23 0.00 0.00 178.00 178.33 2poa n LYS 100 N -2.30 0.63 -1.87 0.86 4.76 -1.26 -5.11 118.16 113.87 2poa n LYS 100 Ca -0.01 0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.44 2poa n LYS 100 Cb 0.17 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 31.66 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2poa n ASN 101 N -2.58 -4.75 -4.73 4.39 3.02 -0.42 -5.02 115.26 105.18 2poa n ASN 101 Ca -0.06 0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 55.06 2poa n ASN 101 Cb 0.66 -3.40 -0.04 0.00 -0.61 0.00 0.00 39.78 36.39 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 -0.35 4.66 0.58 3.41 2.01 -0.33 -4.87 115.64 120.75 2poa s THR 102 Ca -0.05 1.92 -0.16 0.00 0.31 0.00 0.00 61.69 63.71 2poa s THR 102 Cb 0.00 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2poa s THR 102 CO 0.13 0.29 1.05 -0.89 -0.69 0.00 0.00 174.62 174.51 2poa s THR 103 N 0.24 3.90 -0.52 -0.82 2.01 -1.10 -4.23 115.64 115.12 2poa s THR 103 Ca 0.45 0.92 -0.38 0.00 0.31 0.00 0.00 61.69 63.00 2poa s THR 103 Cb -0.22 -3.43 -0.18 0.00 0.01 0.00 0.00 72.50 68.68 2poa s THR 103 CO 0.27 -0.51 2.01 1.33 -0.69 0.00 0.00 174.62 177.03 2poa n VAL 104 N -1.89 0.00 0.75 3.82 0.24 -1.26 -4.37 118.33 115.62 2poa n VAL 104 Ca 0.08 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 2poa n VAL 104 Cb 0.53 -0.45 0.46 0.00 -1.47 0.00 0.00 33.84 32.91 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 6.02 0.38 -2.05 1.34 -6.64 -1.26 -4.40 119.36 112.75 2poa n ILE 105 Ca 0.51 -0.19 0.00 0.00 -1.77 0.00 0.00 62.75 61.31 2poa n ILE 105 Cb -0.03 -0.52 0.00 0.00 -1.44 0.00 0.00 39.64 37.66 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 -1.99 -1.11 -3.03 7.28 0.24 -1.26 -3.08 118.33 115.38 2poa n VAL 106 Ca 0.06 0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 62.19 2poa n VAL 106 Cb 0.40 -1.73 -0.06 0.00 -1.47 0.00 0.00 33.84 30.98 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 -0.52 3.34 0.17 7.34 1.70 0.61 -2.13 118.95 129.45 2poa s ARG 107 Ca 0.00 -0.25 0.01 0.00 -0.47 0.00 0.00 55.73 55.01 2poa s ARG 107 Cb 0.00 -3.95 0.01 0.00 -0.57 0.00 0.00 34.95 30.43 2poa s ARG 107 CO 0.00 -1.09 0.05 0.39 -1.08 0.00 0.00 175.30 173.57 2poa n GLU 108 N 6.54 1.47 -3.65 3.89 1.02 -1.09 -1.56 120.64 127.26 2poa n GLU 108 Ca 0.00 -1.14 -0.02 0.00 -0.02 0.00 0.00 57.16 55.98 2poa n GLU 108 Cb 0.48 0.24 -0.05 0.00 -0.02 0.00 0.00 31.44 32.09 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2poa s VAL 109 N -1.31 -0.94 -0.68 2.62 0.11 -1.25 -2.29 120.40 116.66 2poa s VAL 109 Ca 0.04 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2poa s VAL 109 Cb -0.00 -0.95 0.40 0.00 -1.53 0.00 0.00 36.38 34.30 2poa s VAL 109 CO 0.02 0.01 1.82 0.47 -3.33 0.00 0.00 175.10 174.10 2poa n ASP 110 N 5.44 6.95 -0.91 3.54 9.92 -0.67 -4.79 116.55 136.03 2poa n ASP 110 Ca -0.11 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.35 2poa n ASP 110 Cb 0.49 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 -0.67 -0.01 4.11 0.44 0.00 -1.26 -4.62 105.19 103.18 2poa n GLY 111 Ca 0.54 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2poa n GLY 111 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2poa n ASP 112 N -0.45 -2.67 -3.16 1.61 2.03 -1.26 -4.98 116.55 107.67 2poa n ASP 112 Ca 0.00 -1.26 -0.07 0.00 0.52 0.00 0.00 54.79 53.97 2poa n ASP 112 Cb 0.14 -1.83 -0.03 0.00 -0.72 0.00 0.00 41.12 38.68 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2poa s THR 113 N -3.77 -0.71 -1.38 5.18 -1.32 -1.25 -4.75 115.64 107.64 2poa s THR 113 Ca 0.34 -0.72 -0.14 0.00 -1.21 0.00 0.00 61.69 59.95 2poa s THR 113 Cb -0.18 -0.28 0.08 0.00 -1.51 0.00 0.00 72.50 70.61 2poa s THR 113 CO 0.97 -0.26 2.00 0.23 -2.21 0.00 0.00 174.62 175.35 2poa n MET 114 N 3.89 3.09 -2.93 7.08 2.81 0.04 -1.67 117.12 129.43 2poa n MET 114 Ca 0.14 -3.00 -0.43 0.00 -1.81 0.00 0.00 57.70 52.60 2poa n MET 114 Cb 0.53 -3.27 -0.04 0.00 -0.71 0.00 0.00 33.22 29.73 2poa n MET 114 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2poa s LYS 115 N 2.89 3.10 -0.52 0.03 0.00 -0.97 -4.07 119.74 120.21 2poa s LYS 115 Ca 0.47 -0.93 -0.16 0.00 0.00 0.00 0.00 55.97 55.35 2poa s LYS 115 Cb 0.10 -4.22 0.10 0.00 0.00 0.00 0.00 37.83 33.80 2poa s LYS 115 CO -0.03 -1.71 0.49 -0.08 0.00 0.00 0.00 175.35 174.02 2poa s THR 116 N 3.66 5.16 -1.10 3.79 -1.32 -0.38 -2.66 115.64 122.79 2poa s THR 116 Ca 0.20 -1.23 -0.20 0.00 -1.21 0.00 0.00 61.69 59.25 2poa s THR 116 Cb -0.19 -4.27 0.09 0.00 -1.51 0.00 0.00 72.50 66.62 2poa s THR 116 CO 0.10 -0.78 1.45 -0.89 -2.21 0.00 0.00 174.62 172.29 2poa s THR 117 N 1.78 4.29 -0.47 5.08 2.01 -0.91 -2.08 115.64 125.34 2poa s THR 117 Ca 0.05 -1.47 -0.22 0.00 0.31 0.00 0.00 61.69 60.36 2poa s THR 117 Cb -0.27 -5.02 0.03 0.00 0.01 0.00 0.00 72.50 67.26 2poa s THR 117 CO 0.05 -1.83 0.73 0.54 -0.69 0.00 0.00 174.62 173.42 2poa s VAL 118 N 3.86 4.71 0.23 3.82 0.11 -0.29 -4.36 120.40 128.48 2poa s VAL 118 Ca 0.45 0.13 0.09 0.00 -2.93 0.00 0.00 61.98 59.72 2poa s VAL 118 Cb -0.00 -4.31 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 2poa s VAL 118 CO -0.04 -0.75 -0.03 0.28 -3.33 0.00 0.00 175.10 171.22 2poa s THR 119 N 3.11 3.39 -0.42 5.04 -1.32 -1.26 -0.10 115.64 124.08 2poa s THR 119 Ca 0.25 -1.78 0.04 0.00 -1.21 0.00 0.00 61.69 58.99 2poa s THR 119 Cb -0.14 -2.76 0.17 0.00 -1.51 0.00 0.00 72.50 68.26 2poa s THR 119 CO 0.19 -0.26 0.39 -0.69 -2.21 0.00 0.00 174.62 172.04 2poa s VAL 120 N -2.06 0.15 0.00 5.08 1.01 -1.26 -2.69 120.40 120.62 2poa s VAL 120 Ca 0.29 -2.41 0.00 0.00 0.00 0.00 0.00 61.98 59.86 2poa s VAL 120 Cb -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2poa s VAL 120 CO 0.18 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2poa n GLY 121 N 2.88 0.83 0.44 4.51 0.00 -1.26 -4.32 105.19 108.27 2poa n GLY 121 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 1.81 0.00 0.06 1.61 5.68 -1.26 -5.01 116.55 119.43 2poa n ASP 122 Ca 0.00 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 2poa n ASP 122 Cb 0.00 -0.07 0.00 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 1.15 -2.84 2.12 0.31 -1.26 -5.12 118.33 112.69 2poa n VAL 123 Ca 0.00 0.38 -0.07 0.00 -0.01 0.00 0.00 64.34 64.64 2poa n VAL 123 Cb 0.57 -1.51 0.01 0.00 -0.91 0.00 0.00 33.84 32.00 2poa n VAL 123 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2poa n THR 124 N -3.50-11.12 -3.23 2.52 -1.04 -1.23 -4.95 114.28 91.73 2poa n THR 124 Ca 0.00 1.14 -0.46 0.00 -2.04 0.00 0.00 64.05 62.69 2poa n THR 124 Cb 0.00 -7.08 -0.05 0.00 -1.82 0.00 0.00 70.33 61.39 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 -2.30 3.57 -1.15 2.41 0.00 0.85 -4.63 121.76 120.51 2poa s ALA 125 Ca 0.18 -2.44 -0.22 0.00 0.00 0.00 0.00 51.96 49.48 2poa s ALA 125 Cb -0.05 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2poa s ALA 125 CO 0.77 -2.15 1.88 -1.50 0.00 0.00 0.00 175.76 174.75 2poa s ILE 126 N 1.98 3.65 -0.64 0.00 1.10 -1.26 -1.14 121.20 124.89 2poa s ILE 126 Ca 0.07 -1.01 -0.26 0.00 -0.51 0.00 0.00 60.65 58.94 2poa s ILE 126 Cb -0.27 -4.62 0.04 0.00 0.15 0.00 0.00 42.46 37.75 2poa s ILE 126 CO 0.04 -1.22 1.11 -0.13 -2.11 0.00 0.00 174.94 172.63 2poa s ARG 127 N 6.07 3.27 0.21 3.50 0.52 -0.88 -4.53 118.95 127.11 2poa s ARG 127 Ca 0.65 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 2poa s ARG 127 Cb -0.01 -4.13 -0.08 0.00 0.52 0.00 0.00 34.95 31.25 2poa s ARG 127 CO 0.09 -1.82 0.92 1.21 0.02 0.00 0.00 175.30 175.72 2poa s ASN 128 N 3.35 7.59 0.04 0.23 3.84 -1.25 -1.25 114.94 127.49 2poa s ASN 128 Ca 0.33 1.88 -0.06 0.00 0.21 0.00 0.00 52.86 55.22 2poa s ASN 128 Cb -0.11 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 37.99 2poa s ASN 128 CO 0.17 0.14 0.12 -0.31 -2.79 0.00 0.00 177.10 174.43 2poa s TYR 129 N -1.02 0.16 -0.15 0.43 2.02 -1.26 -0.08 117.35 117.46 2poa s TYR 129 Ca 0.41 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2poa s TYR 129 Cb -0.25 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2poa s TYR 129 CO 0.31 -0.38 -0.08 0.15 -1.57 0.00 0.00 175.55 173.98 2poa s LYS 130 N -2.56 3.50 -0.15 -0.62 -0.14 -0.23 -0.78 119.74 118.76 2poa s LYS 130 Ca -0.05 -0.61 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 2poa s LYS 130 Cb -0.01 -2.78 -0.01 0.00 -1.68 0.00 0.00 37.83 33.35 2poa s LYS 130 CO -0.04 0.19 1.10 0.50 -0.76 0.00 0.00 175.35 176.34 2poa s ARG 131 N 0.45 4.31 -0.09 1.68 3.52 -1.26 -2.46 118.95 125.11 2poa s ARG 131 Ca -0.07 1.48 0.04 0.00 -0.13 0.00 0.00 55.73 57.05 2poa s ARG 131 Cb -0.15 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2poa s ARG 131 CO 0.04 -0.53 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.28 2poa s LEU 132 N 2.76 1.98 0.00 -0.88 1.43 0.04 -5.02 118.68 118.99 2poa s LEU 132 Ca 0.49 -0.48 0.21 0.00 -1.03 0.00 0.00 54.13 53.32 2poa s LEU 132 Cb -0.19 -1.25 0.17 0.00 0.03 0.00 0.00 46.19 44.95 2poa s LEU 132 CO 0.14 0.14 1.18 -1.54 0.23 0.00 0.00 176.35 176.49