#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 -0.37 7.83 7.64 -1.26 -4.88 113.62 122.58 2poa n SER 2 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2poa n SER 2 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 2poa n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2poa h SER 3 N 0.00 1.12 -1.29 6.43 4.64 -2.03 -3.29 113.55 119.13 2poa h SER 3 Ca 0.00 -0.03 -0.57 0.00 -0.47 0.00 0.00 61.79 60.72 2poa h SER 3 Cb 0.00 -0.28 -0.20 0.00 -0.31 0.00 0.00 62.40 61.62 2poa h SER 3 CO 0.00 0.81 0.63 0.49 -0.87 0.00 0.00 176.83 177.88 2poa n PHE 4 N -4.41 1.95 -3.93 4.77 3.72 -1.26 -4.88 117.46 113.42 2poa n PHE 4 Ca 0.12 -2.07 -0.28 0.00 -0.05 0.00 0.00 57.45 55.17 2poa n PHE 4 Cb 0.02 -1.36 -0.17 0.00 -0.94 0.00 0.00 39.48 37.04 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2poa s LEU 5 N -2.62 1.58 0.00 4.37 1.43 -1.24 -4.51 118.68 117.68 2poa s LEU 5 Ca 0.57 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2poa s LEU 5 Cb 0.39 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.63 2poa s LEU 5 CO -0.26 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2poa n GLY 6 N 4.85 1.71 3.90 -3.19 0.00 0.29 -5.00 105.19 107.75 2poa n GLY 6 Ca -0.13 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2poa n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2poa s LYS 7 N -1.31 3.48 -0.08 1.61 -2.85 -1.23 -0.31 119.74 119.06 2poa s LYS 7 Ca 0.00 -0.25 -0.00 0.00 -1.00 0.00 0.00 55.97 54.71 2poa s LYS 7 Cb 0.00 -3.08 0.03 0.00 -2.06 0.00 0.00 37.83 32.71 2poa s LYS 7 CO 0.00 0.66 -0.04 -1.58 0.10 0.00 0.00 175.35 174.49 2poa s TRP 8 N -1.34 0.97 0.09 1.78 0.51 -1.20 -0.64 118.94 119.10 2poa s TRP 8 Ca 0.28 -0.37 0.10 0.00 -2.12 0.00 0.00 56.10 53.99 2poa s TRP 8 Cb -0.13 -0.92 -0.04 0.00 -0.81 0.00 0.00 33.47 31.58 2poa s TRP 8 CO 0.19 -0.36 -0.24 0.15 -0.51 0.00 0.00 176.95 176.18 2poa s LYS 9 N 1.65 1.69 -0.03 4.98 1.02 -1.16 -2.76 119.74 125.13 2poa s LYS 9 Ca 0.01 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.51 2poa s LYS 9 Cb -0.13 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 2poa s LYS 9 CO -0.05 0.49 1.38 -1.17 -0.92 0.00 0.00 175.35 175.08 2poa s LEU 10 N -1.76 4.30 -0.05 3.17 2.96 -1.26 -1.69 118.68 124.34 2poa s LEU 10 Ca 0.14 2.04 -0.16 0.00 -0.22 0.00 0.00 54.13 55.93 2poa s LEU 10 Cb -0.10 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.73 2poa s LEU 10 CO 0.06 -0.73 0.74 -1.28 -1.32 0.00 0.00 176.35 173.82 2poa h SER 11 N 7.99 0.56 -3.34 3.68 0.87 -0.59 -3.46 113.55 119.26 2poa h SER 11 Ca -0.36 -0.91 -0.40 0.00 -1.23 0.00 0.00 61.79 58.89 2poa h SER 11 Cb 1.17 -0.18 -0.37 0.00 -0.44 0.00 0.00 62.40 62.57 2poa h SER 11 CO 0.91 1.64 -0.76 -1.83 -0.53 0.00 0.00 176.83 176.26 2poa s GLU 12 N -2.52 0.37 -1.03 2.24 -1.05 -1.16 -5.04 118.70 110.51 2poa s GLU 12 Ca -0.15 0.16 -0.19 0.00 -0.15 0.00 0.00 54.97 54.63 2poa s GLU 12 Cb 0.04 -0.72 0.11 0.00 -0.44 0.00 0.00 34.13 33.11 2poa s GLU 12 CO 0.84 -0.26 1.32 0.45 0.95 0.00 0.00 175.26 178.57 2poa s SER 13 N 1.73 6.67 -0.09 0.83 0.15 -1.26 -3.67 113.70 118.06 2poa s SER 13 Ca 0.00 -2.05 -0.12 0.00 0.70 0.00 0.00 55.95 54.49 2poa s SER 13 Cb -0.13 -2.47 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 2poa s SER 13 CO -0.03 -1.16 0.42 -0.74 1.20 0.00 0.00 173.24 172.92 2poa h HIS 14 N 8.76 -0.12 -1.04 3.44 2.76 -1.93 -3.39 115.15 123.62 2poa h HIS 14 Ca 0.22 -0.00 -0.41 0.00 -2.20 0.00 0.00 60.37 57.98 2poa h HIS 14 Cb 0.98 0.04 -0.41 0.00 1.55 0.00 0.00 27.41 29.58 2poa h HIS 14 CO 1.21 0.19 -1.06 0.09 -1.30 0.00 0.00 177.93 177.07 2poa n ASN 15 N -4.83 2.43 -3.81 3.26 4.13 -1.26 -4.97 115.26 110.21 2poa n ASN 15 Ca -0.04 -2.92 -0.42 0.00 1.68 0.00 0.00 54.58 52.87 2poa n ASN 15 Cb 0.18 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 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 -0.26 3.12 0.00 3.10 7.35 -1.26 -4.11 117.46 125.40 2poa n PHE 16 Ca 0.18 -2.85 0.00 0.00 -0.76 0.00 0.00 57.45 54.02 2poa n PHE 16 Cb 0.79 -2.15 0.00 0.00 0.35 0.00 0.00 39.48 38.47 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 4.58 0.00 0.16 -2.13 5.68 -1.26 -4.21 116.55 119.37 2poa n ASP 17 Ca 0.44 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.76 2poa n ASP 17 Cb 0.37 0.22 0.20 0.00 -1.14 0.00 0.00 41.12 40.77 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 0.36 0.85 -0.80 2.12 0.00 -1.96 -3.02 119.26 116.80 2poa h ALA 18 Ca 0.00 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.65 2poa h ALA 18 Cb 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.59 2poa h ALA 18 CO 0.00 0.61 0.24 -0.24 0.00 0.00 0.00 179.25 179.86 2poa h VAL 19 N 0.00 0.48 -0.00 0.00 3.04 -1.93 0.13 116.25 117.97 2poa h VAL 19 Ca -0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 2poa h VAL 19 Cb 1.13 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2poa h VAL 19 CO 0.06 0.05 -0.03 0.24 -1.01 0.00 0.00 177.57 176.89 2poa h MET 20 N 0.30 0.02 -0.67 4.17 2.86 -1.90 -3.15 114.93 116.56 2poa h MET 20 Ca 0.47 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.09 2poa h MET 20 Cb 0.84 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2poa h MET 20 CO -0.54 0.78 0.44 1.03 1.06 0.00 0.00 176.91 179.69 2poa h SER 21 N -0.73 0.77 0.47 1.22 0.87 -1.39 0.08 113.55 114.84 2poa h SER 21 Ca -0.00 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 2poa h SER 21 Cb 0.79 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2poa h SER 21 CO 0.01 0.56 -0.35 0.07 -0.53 0.00 0.00 176.83 176.58 2poa h LYS 22 N 0.90 0.00 -0.16 2.24 5.09 -0.90 -2.81 116.57 120.93 2poa h LYS 22 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.97 2poa h LYS 22 Cb -0.10 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.22 2poa h LYS 22 CO -0.05 0.35 0.03 1.25 -2.09 0.00 0.00 179.45 178.94 2poa h LEU 23 N 0.00 0.25 0.00 7.07 5.85 -1.39 -3.49 115.31 123.60 2poa h LEU 23 Ca -0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2poa h LEU 23 Cb 0.68 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2poa h LEU 23 CO 0.05 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.19 2poa n GLY 24 N -0.46 0.25 3.45 3.75 0.00 -0.03 -4.69 105.19 107.47 2poa n GLY 24 Ca -0.05 -0.56 -0.33 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 0.00 3.09 0.80 1.61 1.01 -1.20 -5.00 120.40 120.71 2poa s VAL 25 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2poa s VAL 25 Cb 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.23 2poa s VAL 25 CO 0.00 0.57 1.17 -0.44 0.00 0.00 0.00 175.10 176.41 2poa s SER 26 N -0.46 3.77 -1.15 3.32 0.01 -1.26 -4.64 113.70 113.30 2poa s SER 26 Ca 0.06 2.24 -0.16 0.00 1.31 0.00 0.00 55.95 59.41 2poa s SER 26 Cb -0.12 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 2poa s SER 26 CO 0.02 -2.54 2.18 0.79 0.41 0.00 0.00 173.24 174.10 2poa n TRP 27 N -3.34 2.51 0.01 2.43 7.02 -1.26 -2.11 117.44 122.71 2poa n TRP 27 Ca 0.12 -2.42 0.00 0.00 -1.02 0.00 0.00 57.50 54.18 2poa n TRP 27 Cb 0.51 -2.12 0.00 0.00 -2.42 0.00 0.00 31.31 27.28 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 6.09 0.00 0.07 6.99 0.00 -1.26 -4.98 120.51 127.43 2poa n ALA 28 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 2poa n ALA 28 Cb 0.34 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.00 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 1.31 0.00 0.00 1.35 -1.90 -2.98 112.91 110.68 2poa h THR 29 Ca 0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2poa h THR 29 Cb 0.00 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2poa h THR 29 CO 0.00 0.46 0.00 -1.14 -0.25 0.00 0.00 175.52 174.59 2poa n ARG 30 N -4.03 0.10 -0.11 4.72 0.63 -0.89 -3.13 116.66 113.94 2poa n ARG 30 Ca -0.01 0.47 -0.16 0.00 -0.92 0.00 0.00 57.85 57.23 2poa n ARG 30 Cb 0.48 -1.75 -0.11 0.00 0.45 0.00 0.00 32.46 31.53 2poa n ARG 30 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2poa n GLN 31 N -1.95 0.58 0.06 -0.14 3.00 -1.18 -4.43 117.38 113.33 2poa n GLN 31 Ca 0.01 0.13 0.04 0.00 -0.01 0.00 0.00 57.00 57.17 2poa n GLN 31 Cb 0.11 -1.46 0.45 0.00 0.00 0.00 0.00 30.24 29.34 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2poa h ILE 32 N 0.00 1.10 -0.52 5.09 5.03 -1.55 -1.99 117.51 124.66 2poa h ILE 32 Ca -0.51 -0.25 0.08 0.00 -0.12 0.00 0.00 64.86 64.06 2poa h ILE 32 Cb 1.80 0.69 -0.10 0.00 -3.03 0.00 0.00 36.82 36.18 2poa h ILE 32 CO -0.08 0.11 -0.44 1.23 -0.68 0.00 0.00 178.15 178.29 2poa h GLY 33 N 0.49 -0.53 -3.16 5.37 0.00 -1.78 -0.58 103.07 102.87 2poa h GLY 33 Ca 0.11 0.57 -0.30 0.00 0.00 0.00 0.00 47.33 47.71 2poa h GLY 33 CO -0.02 -0.16 0.38 1.16 0.00 0.00 0.00 176.54 177.90 2poa n ASN 34 N -5.40 3.81 0.00 0.19 0.23 -0.98 -4.43 115.26 108.67 2poa n ASN 34 Ca 0.01 -2.93 0.00 0.00 -0.53 0.00 0.00 54.58 51.13 2poa n ASN 34 Cb 0.35 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2poa n ASN 34 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2poa n THR 35 N -0.35 0.00 -3.50 5.53 -1.04 -0.79 -5.03 114.28 109.11 2poa n THR 35 Ca 0.33 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.92 2poa n THR 35 Cb 1.09 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.54 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 -0.98 4.68 0.46 12.58 1.01 -0.25 -5.03 120.40 132.86 2poa s VAL 36 Ca 0.00 -2.46 -0.24 0.00 0.00 0.00 0.00 61.98 59.28 2poa s VAL 36 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2poa s VAL 36 CO 0.00 -0.92 1.18 0.35 0.00 0.00 0.00 175.10 175.71 2poa n THR 37 N 4.05 2.81 -1.63 3.92 -2.24 -1.26 -4.34 114.28 115.58 2poa n THR 37 Ca 0.06 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 2poa n THR 37 Cb 0.42 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.30 2.09 -1.37 -0.78 0.04 -1.26 -4.42 135.00 126.99 2poa s PRO 38 Ca 0.64 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 2poa s PRO 38 Cb -0.50 -4.61 0.07 0.00 0.04 0.00 0.00 34.50 29.51 2poa s PRO 38 CO 0.55 -3.42 1.97 2.41 0.04 0.00 0.00 177.00 178.56 2poa n THR 39 N 8.03 3.78 -2.36 1.26 -1.04 -1.25 -4.74 114.28 117.96 2poa n THR 39 Ca 0.36 -3.66 -0.37 0.00 -2.04 0.00 0.00 64.05 58.34 2poa n THR 39 Cb 0.52 -2.49 -0.03 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 3.08 3.67 -0.81 12.58 -7.23 -1.11 -2.87 120.40 127.71 2poa s VAL 40 Ca 0.48 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.26 2poa s VAL 40 Cb 0.09 -4.61 0.20 0.00 0.56 0.00 0.00 36.38 32.63 2poa s VAL 40 CO -0.02 -1.53 0.78 -0.89 -0.31 0.00 0.00 175.10 173.14 2poa s THR 41 N 7.00 5.49 -0.35 5.32 2.01 -1.26 -3.26 115.64 130.59 2poa s THR 41 Ca 0.52 -2.29 -0.22 0.00 0.31 0.00 0.00 61.69 60.01 2poa s THR 41 Cb -0.05 -4.49 0.01 0.00 0.01 0.00 0.00 72.50 67.97 2poa s THR 41 CO 0.03 -1.07 0.72 -0.36 -0.69 0.00 0.00 174.62 173.25 2poa s PHE 42 N 0.55 3.14 -0.07 4.92 0.08 0.58 -0.60 117.98 126.57 2poa s PHE 42 Ca 0.18 0.50 -0.05 0.00 0.12 0.00 0.00 56.93 57.68 2poa s PHE 42 Cb -0.11 -3.27 0.03 0.00 -0.57 0.00 0.00 43.02 39.10 2poa s PHE 42 CO -0.08 -0.67 0.18 0.95 -0.10 0.00 0.00 175.22 175.51 2poa s THR 43 N 2.92 -0.02 -0.53 0.64 -4.23 -0.33 -0.55 115.64 113.53 2poa s THR 43 Ca 0.28 0.09 -0.27 0.00 -1.18 0.00 0.00 61.69 60.62 2poa s THR 43 Cb -0.14 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.46 2poa s THR 43 CO 0.15 0.04 1.06 0.00 -0.54 0.00 0.00 174.62 175.33 2poa s MET 44 N 0.69 3.50 -1.03 3.99 0.23 -1.26 0.08 119.30 125.50 2poa s MET 44 Ca -0.05 0.14 -0.18 0.00 -1.03 0.00 0.00 55.69 54.57 2poa s MET 44 Cb -0.06 -3.99 0.13 0.00 -1.53 0.00 0.00 34.83 29.37 2poa s MET 44 CO -0.04 -1.49 1.27 0.34 -2.03 0.00 0.00 175.02 173.07 2poa s ASP 45 N 2.71 6.74 0.00 -1.18 2.15 0.17 -4.73 116.67 122.53 2poa s ASP 45 Ca 0.39 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.13 2poa s ASP 45 Cb -0.09 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2poa s ASP 45 CO 0.25 -1.03 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 2poa n GLY 46 N 5.29 2.16 0.67 2.66 0.00 -1.26 -3.59 105.19 111.11 2poa n GLY 46 Ca 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 4.22 1.08 -4.94 1.61 2.03 -1.26 -5.13 116.55 114.16 2poa n ASP 47 Ca 0.00 0.16 -0.24 0.00 0.52 0.00 0.00 54.79 55.23 2poa n ASP 47 Cb 0.00 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 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 -2.02 3.49 0.27 -0.67 -2.85 -1.24 -4.89 119.74 111.84 2poa s LYS 48 Ca -0.08 -0.38 -0.24 0.00 -1.00 0.00 0.00 55.97 54.26 2poa s LYS 48 Cb 0.01 -2.72 -0.09 0.00 -2.06 0.00 0.00 37.83 32.97 2poa s LYS 48 CO 0.12 0.23 0.86 0.00 0.10 0.00 0.00 175.35 176.66 2poa s MET 49 N -4.11 4.50 -0.07 1.78 0.23 -0.61 -0.65 119.30 120.36 2poa s MET 49 Ca 0.39 1.18 0.00 0.00 -1.03 0.00 0.00 55.69 56.23 2poa s MET 49 Cb -0.10 -2.90 0.02 0.00 -1.53 0.00 0.00 34.83 30.32 2poa s MET 49 CO 0.34 0.36 -0.06 0.99 -2.03 0.00 0.00 175.02 174.62 2poa s THR 50 N -1.51 0.73 -0.46 3.16 2.01 0.11 -1.62 115.64 118.06 2poa s THR 50 Ca 0.46 -0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 2poa s THR 50 Cb -0.19 -0.77 0.03 0.00 0.01 0.00 0.00 72.50 71.58 2poa s THR 50 CO 0.24 0.29 0.90 -0.04 -0.69 0.00 0.00 174.62 175.32 2poa s MET 51 N 1.33 3.50 -1.24 4.92 -1.94 -0.68 -1.19 119.30 124.00 2poa s MET 51 Ca -0.04 0.09 -0.07 0.00 -1.71 0.00 0.00 55.69 53.96 2poa s MET 51 Cb -0.14 -3.94 0.19 0.00 2.01 0.00 0.00 34.83 32.96 2poa s MET 51 CO -0.03 -1.22 1.89 1.28 -0.01 0.00 0.00 175.02 176.93 2poa n LEU 52 N 7.11 6.89 -4.64 -0.03 4.77 0.23 -1.86 117.00 129.47 2poa n LEU 52 Ca 0.05 -4.81 -0.43 0.00 -0.03 0.00 0.00 56.01 50.79 2poa n LEU 52 Cb 0.48 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 2poa n LEU 52 CO 0.63 1.58 1.15 -0.89 -1.33 0.00 0.00 177.39 178.53 2poa s THR 53 N -0.60 4.12 -0.65 -5.08 2.01 -0.72 -4.05 115.64 110.67 2poa s THR 53 Ca 0.40 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.75 2poa s THR 53 Cb 0.11 -4.02 0.17 0.00 0.01 0.00 0.00 72.50 68.77 2poa s THR 53 CO 0.00 -0.32 0.48 -0.62 -0.69 0.00 0.00 174.62 173.48 2poa n GLU 54 N 7.10 1.56 -3.27 4.92 -0.58 -1.14 -0.20 120.64 129.03 2poa n GLU 54 Ca 0.15 -4.25 -0.19 0.00 -0.42 0.00 0.00 57.16 52.45 2poa n GLU 54 Cb 0.46 -2.16 -0.01 0.00 -0.57 0.00 0.00 31.44 29.15 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 -1.25 5.44 0.20 1.62 0.01 -0.24 -3.91 113.70 115.58 2poa s SER 55 Ca 0.27 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 2poa s SER 55 Cb -0.01 -0.68 0.23 0.00 0.21 0.00 0.00 66.02 65.77 2poa s SER 55 CO -0.17 -0.68 1.73 0.74 0.41 0.00 0.00 173.24 175.27 2poa h THR 56 N 0.82 0.75 0.02 1.44 2.02 -1.90 -2.67 112.91 113.40 2poa h THR 56 Ca -0.41 -0.11 -0.32 0.00 0.77 0.00 0.00 66.41 66.33 2poa h THR 56 Cb 1.27 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 2poa h THR 56 CO 0.51 0.06 -1.92 0.49 0.37 0.00 0.00 175.52 175.03 2poa n PHE 57 N -5.05 0.83 -3.72 3.16 3.72 -1.26 -4.57 117.46 110.57 2poa n PHE 57 Ca 0.07 0.26 -0.34 0.00 -0.05 0.00 0.00 57.45 57.40 2poa n PHE 57 Cb 0.26 -1.14 -0.08 0.00 -0.94 0.00 0.00 39.48 37.57 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2poa s LYS 58 N -2.57 2.97 -0.98 -1.08 1.02 -1.24 -4.23 119.74 113.63 2poa s LYS 58 Ca -0.10 -3.20 -0.14 0.00 0.02 0.00 0.00 55.97 52.55 2poa s LYS 58 Cb 0.07 -3.79 0.21 0.00 -0.52 0.00 0.00 37.83 33.81 2poa s LYS 58 CO 0.80 -1.26 1.03 0.54 -0.92 0.00 0.00 175.35 175.54 2poa s ASN 59 N -0.39 6.92 -0.21 2.83 4.22 -1.01 -1.08 114.94 126.23 2poa s ASN 59 Ca 0.25 -2.82 -0.19 0.00 -2.14 0.00 0.00 52.86 47.96 2poa s ASN 59 Cb -0.08 -2.28 0.05 0.00 1.28 0.00 0.00 41.25 40.22 2poa s ASN 59 CO -0.12 -0.63 0.55 -1.48 -2.04 0.00 0.00 177.10 173.38 2poa s LEU 60 N 0.55 -0.13 0.06 3.54 0.05 0.72 -4.98 118.68 118.48 2poa s LEU 60 Ca 0.28 1.11 -0.05 0.00 0.05 0.00 0.00 54.13 55.52 2poa s LEU 60 Cb -0.08 1.89 -0.05 0.00 -2.05 0.00 0.00 46.19 45.90 2poa s LEU 60 CO -0.08 -0.19 0.29 -0.94 -0.55 0.00 0.00 176.35 174.88 2poa s SER 61 N 0.37 6.48 -0.08 1.48 1.04 -1.26 -1.75 113.70 119.97 2poa s SER 61 Ca -0.01 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.92 2poa s SER 61 Cb -0.04 -2.07 0.04 0.00 0.10 0.00 0.00 66.02 64.05 2poa s SER 61 CO -0.00 0.18 0.17 0.68 0.98 0.00 0.00 173.24 175.24 2poa s VAL 62 N -1.44 -0.13 0.02 5.02 -7.23 -0.78 -4.99 120.40 110.87 2poa s VAL 62 Ca 0.33 0.23 0.04 0.00 -1.81 0.00 0.00 61.98 60.78 2poa s VAL 62 Cb -0.13 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 2poa s VAL 62 CO 0.21 0.10 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.11 2poa s THR 63 N 1.58 3.41 -0.05 5.32 2.01 -1.26 -1.68 115.64 124.97 2poa s THR 63 Ca -0.05 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.75 2poa s THR 63 Cb -0.12 -2.47 0.11 0.00 0.01 0.00 0.00 72.50 70.03 2poa s THR 63 CO -0.06 0.37 1.04 0.72 -0.69 0.00 0.00 174.62 176.00 2poa s PHE 64 N -0.98 -0.22 0.43 4.92 -0.12 -0.64 -4.99 117.98 116.38 2poa s PHE 64 Ca 0.17 0.10 0.08 0.00 -0.05 0.00 0.00 56.93 57.23 2poa s PHE 64 Cb -0.11 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 2poa s PHE 64 CO 0.07 -0.44 0.51 -1.59 -0.05 0.00 0.00 175.22 173.73 2poa s LYS 65 N -2.84 2.68 0.00 1.99 -2.85 -1.26 -1.58 119.74 115.88 2poa s LYS 65 Ca 0.08 -1.39 -0.01 0.00 -1.00 0.00 0.00 55.97 53.65 2poa s LYS 65 Cb -0.01 -2.60 -0.05 0.00 -2.06 0.00 0.00 37.83 33.12 2poa s LYS 65 CO -0.06 -0.29 2.22 1.97 0.10 0.00 0.00 175.35 179.30 2poa n PHE 66 N -1.77 0.00 -2.67 1.78 1.16 -1.26 -3.83 117.46 110.87 2poa n PHE 66 Ca 0.07 -1.06 -0.04 0.00 -1.87 0.00 0.00 57.45 54.55 2poa n PHE 66 Cb 0.60 -0.68 0.08 0.00 -1.61 0.00 0.00 39.48 37.87 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 1.70 -1.03 3.28 4.97 0.00 -0.99 -3.83 105.19 109.27 2poa n GLY 67 Ca 0.08 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 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 0.06 0.94 -0.41 1.61 0.41 -1.22 -4.98 118.70 115.11 2poa s GLU 68 Ca 0.16 -0.66 -0.26 0.00 -0.41 0.00 0.00 54.97 53.81 2poa s GLU 68 Cb 0.24 0.41 0.02 0.00 -1.78 0.00 0.00 34.13 33.02 2poa s GLU 68 CO -0.14 -0.33 0.92 -1.21 -0.49 0.00 0.00 175.26 174.01 2poa s GLU 69 N -3.32 3.70 0.73 1.61 2.02 -1.26 -0.92 118.70 121.26 2poa s GLU 69 Ca 0.00 0.38 -0.12 0.00 0.02 0.00 0.00 54.97 55.26 2poa s GLU 69 Cb 0.01 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.42 2poa s GLU 69 CO -0.08 -1.07 1.12 -0.59 0.02 0.00 0.00 175.26 174.65 2poa s PHE 70 N 3.59 3.23 0.03 1.61 -0.12 -0.90 -4.83 117.98 120.59 2poa s PHE 70 Ca 0.37 0.97 0.07 0.00 -0.05 0.00 0.00 56.93 58.30 2poa s PHE 70 Cb -0.11 -3.17 -0.02 0.00 -0.63 0.00 0.00 43.02 39.08 2poa s PHE 70 CO 0.22 -1.32 -0.22 0.16 -0.05 0.00 0.00 175.22 174.01 2poa s ASP 71 N -4.41 2.57 -0.01 1.98 -4.77 -1.26 -0.87 116.67 109.90 2poa s ASP 71 Ca 0.59 -0.51 0.02 0.00 -3.30 0.00 0.00 52.55 49.35 2poa s ASP 71 Cb -0.11 -0.23 -0.00 0.00 -1.09 0.00 0.00 42.92 41.49 2poa s ASP 71 CO 0.51 0.19 -0.06 -1.83 0.70 0.00 0.00 175.17 174.68 2poa s GLU 72 N -1.07 0.51 -0.17 2.11 -1.05 -0.20 -4.96 118.70 113.87 2poa s GLU 72 Ca 0.08 -0.19 -0.07 0.00 -0.15 0.00 0.00 54.97 54.63 2poa s GLU 72 Cb -0.09 -0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 33.05 2poa s GLU 72 CO 0.01 0.10 0.08 -1.59 0.95 0.00 0.00 175.26 174.82 2poa s LYS 73 N 0.00 3.84 0.30 -4.83 0.00 -1.26 -0.52 119.74 117.28 2poa s LYS 73 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 55.97 55.60 2poa s LYS 73 Cb -0.04 -3.21 -0.06 0.00 0.00 0.00 0.00 37.83 34.51 2poa s LYS 73 CO -0.00 0.40 0.61 0.95 0.00 0.00 0.00 175.35 177.31 2poa s THR 74 N 0.02 4.92 0.39 3.79 -4.23 -0.89 -4.89 115.64 114.75 2poa s THR 74 Ca 0.07 0.37 0.39 0.00 -1.18 0.00 0.00 61.69 61.34 2poa s THR 74 Cb -0.12 -3.69 0.40 0.00 1.34 0.00 0.00 72.50 70.44 2poa s THR 74 CO 0.00 -0.27 2.18 -1.28 -0.54 0.00 0.00 174.62 174.71 2poa h SER 75 N 1.90 0.00 0.02 3.99 0.87 -1.94 -0.37 113.55 118.03 2poa h SER 75 Ca -0.47 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2poa h SER 75 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2poa h SER 75 CO 0.67 0.00 -0.01 -0.78 -0.53 0.00 0.00 176.83 176.17 2poa h ASP 76 N 0.00 0.00 0.00 6.23 3.58 -1.94 -3.49 116.42 120.80 2poa h ASP 76 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2poa h ASP 76 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2poa h ASP 76 CO 0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2poa n GLY 77 N -1.43 0.69 3.04 -0.78 0.00 -0.15 -4.92 105.19 101.65 2poa n GLY 77 Ca -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 2poa n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2poa s ARG 78 N -0.69 0.47 -0.64 1.61 0.52 -1.24 -4.94 118.95 114.05 2poa s ARG 78 Ca 0.00 0.77 -0.27 0.00 -0.52 0.00 0.00 55.73 55.71 2poa s ARG 78 Cb 0.00 0.08 0.03 0.00 0.52 0.00 0.00 34.95 35.58 2poa s ARG 78 CO 0.00 -0.65 1.20 1.21 0.02 0.00 0.00 175.30 177.07 2poa s ASN 79 N 2.71 6.33 -0.08 0.23 2.47 -1.26 -2.09 114.94 123.25 2poa s ASN 79 Ca 0.17 -0.15 0.02 0.00 0.42 0.00 0.00 52.86 53.31 2poa s ASN 79 Cb -0.15 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.08 2poa s ASN 79 CO -0.19 -1.58 -0.11 0.68 -3.72 0.00 0.00 177.10 172.17 2poa s VAL 80 N 5.12 3.28 0.62 -5.21 -7.23 0.32 -4.89 120.40 112.42 2poa s VAL 80 Ca 0.39 -0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 2poa s VAL 80 Cb -0.08 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.57 2poa s VAL 80 CO 0.21 0.57 0.89 -0.54 -0.31 0.00 0.00 175.10 175.93 2poa s LYS 81 N -0.46 2.39 -0.29 4.82 1.02 -0.48 -1.04 119.74 125.70 2poa s LYS 81 Ca 0.06 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2poa s LYS 81 Cb -0.12 -2.33 0.20 0.00 -0.52 0.00 0.00 37.83 35.06 2poa s LYS 81 CO 0.02 -0.96 0.65 -1.12 -0.92 0.00 0.00 175.35 173.02 2poa s SER 82 N -4.46 -1.43 -0.44 2.83 0.01 -0.05 -0.00 113.70 110.15 2poa s SER 82 Ca 0.58 0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.88 2poa s SER 82 Cb -0.11 1.97 0.01 0.00 0.21 0.00 0.00 66.02 68.11 2poa s SER 82 CO 0.42 -0.26 1.35 0.54 0.41 0.00 0.00 173.24 175.69 2poa s VAL 83 N 2.85 3.96 -0.17 3.43 0.11 -0.83 -2.13 120.40 127.62 2poa s VAL 83 Ca 0.14 0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 59.93 2poa s VAL 83 Cb -0.10 -4.32 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 2poa s VAL 83 CO -0.24 -0.86 0.65 -0.69 -3.33 0.00 0.00 175.10 170.62 2poa s VAL 84 N 5.28 5.02 -0.11 2.04 1.01 -0.09 -1.36 120.40 132.19 2poa s VAL 84 Ca 0.57 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 2poa s VAL 84 Cb -0.12 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2poa s VAL 84 CO 0.32 0.14 -0.06 -0.70 0.00 0.00 0.00 175.10 174.80 2poa s GLU 85 N 1.68 1.36 -0.51 2.72 2.12 -1.26 -2.35 118.70 122.46 2poa s GLU 85 Ca 0.31 -0.22 -0.21 0.00 0.36 0.00 0.00 54.97 55.21 2poa s GLU 85 Cb -0.16 -1.53 0.05 0.00 0.26 0.00 0.00 34.13 32.75 2poa s GLU 85 CO 0.12 -0.29 0.72 0.21 -0.54 0.00 0.00 175.26 175.47 2poa s LYS 86 N 1.75 3.19 0.00 4.30 2.20 -1.25 -0.70 119.74 129.23 2poa s LYS 86 Ca 0.05 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2poa s LYS 86 Cb -0.13 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.12 2poa s LYS 86 CO -0.08 -1.28 0.00 -1.71 -0.36 0.00 0.00 175.35 171.93 2poa n ASN 87 N 6.54 0.00 -4.95 1.43 2.85 0.16 -4.90 115.26 116.40 2poa n ASN 87 Ca -0.04 0.24 -0.23 0.00 -0.11 0.00 0.00 54.58 54.44 2poa n ASN 87 Cb 0.46 -0.32 0.01 0.00 1.24 0.00 0.00 39.78 41.17 2poa n ASN 87 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2poa s SER 88 N -2.45 5.77 0.00 1.20 0.01 -1.14 -4.98 113.70 112.11 2poa s SER 88 Ca 0.00 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2poa s SER 88 Cb 0.00 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2poa s SER 88 CO 0.00 -0.77 0.42 1.21 0.41 0.00 0.00 173.24 174.51 2poa n GLU 89 N -2.15 0.71 -2.77 12.44 4.07 -1.26 -1.86 120.64 129.82 2poa n GLU 89 Ca 0.02 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.10 2poa n GLU 89 Cb 0.58 -1.32 0.07 0.00 -0.06 0.00 0.00 31.44 30.71 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2poa n SER 90 N 0.23 0.55 -3.24 4.31 3.41 -1.26 -4.52 113.62 113.09 2poa n SER 90 Ca 0.00 -2.18 -0.03 0.00 -0.26 0.00 0.00 58.87 56.40 2poa n SER 90 Cb 0.21 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.45 0.47 0.16 4.33 2.47 -0.78 -3.65 119.74 120.29 2poa s LYS 91 Ca 0.22 0.44 0.10 0.00 -1.56 0.00 0.00 55.97 55.17 2poa s LYS 91 Cb 0.38 -0.04 -0.04 0.00 -1.46 0.00 0.00 37.83 36.67 2poa s LYS 91 CO -0.06 -0.92 -0.18 -1.17 0.16 0.00 0.00 175.35 173.18 2poa s LEU 92 N 2.68 2.68 -0.42 5.43 0.20 -0.04 -0.66 118.68 128.54 2poa s LEU 92 Ca 0.12 -0.67 0.07 0.00 0.69 0.00 0.00 54.13 54.35 2poa s LEU 92 Cb -0.12 -1.45 0.24 0.00 -0.43 0.00 0.00 46.19 44.43 2poa s LEU 92 CO -0.26 0.14 0.53 1.07 -0.29 0.00 0.00 176.35 177.54 2poa n THR 93 N 0.43 -0.40 -2.47 3.68 5.66 0.12 0.53 114.28 121.83 2poa n THR 93 Ca -0.13 -4.10 -0.40 0.00 -3.05 0.00 0.00 64.05 56.37 2poa n THR 93 Cb 0.54 -1.95 -0.02 0.00 -1.55 0.00 0.00 70.33 67.36 2poa n THR 93 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2poa s GLN 94 N -1.21 3.64 -0.41 1.09 -0.44 -1.26 -4.05 119.66 117.03 2poa s GLN 94 Ca 0.35 -1.74 -0.23 0.00 -2.50 0.00 0.00 55.36 51.24 2poa s GLN 94 Cb 0.15 -5.46 0.02 0.00 -1.64 0.00 0.00 33.01 26.08 2poa s GLN 94 CO -0.11 -2.61 0.76 0.99 0.50 0.00 0.00 175.29 174.81 2poa s THR 95 N 5.72 4.72 -0.14 -0.34 2.01 -0.46 -4.67 115.64 122.48 2poa s THR 95 Ca 0.56 0.58 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 2poa s THR 95 Cb 0.03 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 2poa s THR 95 CO 0.08 -0.56 1.08 -1.10 -0.69 0.00 0.00 174.62 173.42 2poa s GLN 96 N 3.12 4.35 -0.80 4.92 -0.21 -1.26 -1.97 119.66 127.81 2poa s GLN 96 Ca 0.29 1.46 -0.11 0.00 0.02 0.00 0.00 55.36 57.02 2poa s GLN 96 Cb -0.13 -3.59 0.21 0.00 1.00 0.00 0.00 33.01 30.50 2poa s GLN 96 CO 0.19 -0.47 0.72 0.08 -2.12 0.00 0.00 175.29 173.70 2poa s VAL 97 N 2.52 5.24 0.52 1.09 1.01 1.00 -1.07 120.40 130.71 2poa s VAL 97 Ca 0.49 -2.64 0.05 0.00 0.00 0.00 0.00 61.98 59.87 2poa s VAL 97 Cb -0.19 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 31.98 2poa s VAL 97 CO 0.15 -1.01 0.73 -1.81 0.00 0.00 0.00 175.10 173.16 2poa s ASP 98 N 1.78 5.29 0.00 3.32 1.11 -1.26 -1.39 116.67 125.52 2poa s ASP 98 Ca 0.19 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.60 2poa s ASP 98 Cb -0.12 -0.54 0.00 0.00 1.07 0.00 0.00 42.92 43.33 2poa s ASP 98 CO -0.08 -1.11 0.96 -0.81 1.18 0.00 0.00 175.17 175.31 2poa n PRO 99 N -2.20 0.00 0.00 8.23 -0.04 -1.26 -1.38 135.00 138.34 2poa n PRO 99 Ca 0.10 0.46 0.06 0.00 -0.04 0.00 0.00 63.50 64.07 2poa n PRO 99 Cb 0.60 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.46 2.72 -1.82 0.54 0.00 -1.26 -5.13 118.16 111.75 2poa n LYS 100 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 58.31 58.09 2poa n LYS 100 Cb 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.93 -7.41 -4.72 3.14 2.85 -0.48 -5.01 115.26 102.70 2poa n ASN 101 Ca 0.03 1.19 -0.39 0.00 -0.11 0.00 0.00 54.58 55.30 2poa n ASN 101 Cb 0.21 -4.09 -0.05 0.00 1.24 0.00 0.00 39.78 37.09 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 -0.41 5.07 0.56 -0.44 2.01 -0.23 -4.85 115.64 117.34 2poa s THR 102 Ca 0.00 1.37 -0.16 0.00 0.31 0.00 0.00 61.69 63.21 2poa s THR 102 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 2poa s THR 102 CO 0.00 0.26 1.02 -0.89 -0.69 0.00 0.00 174.62 174.32 2poa s THR 103 N 0.78 4.26 -0.53 -0.82 2.01 -0.73 -4.02 115.64 116.59 2poa s THR 103 Ca 0.36 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.11 2poa s THR 103 Cb -0.17 -3.59 -0.15 0.00 0.01 0.00 0.00 72.50 68.59 2poa s THR 103 CO 0.17 -0.65 1.80 1.33 -0.69 0.00 0.00 174.62 176.58 2poa n VAL 104 N -1.86 0.00 -0.21 3.82 0.24 -1.26 -4.17 118.33 114.89 2poa n VAL 104 Ca 0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.27 2poa n VAL 104 Cb 0.54 -0.38 0.05 0.00 -1.47 0.00 0.00 33.84 32.57 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 5.26 2.11 -0.24 1.34 -6.64 -1.26 -4.51 119.36 115.41 2poa n ILE 105 Ca 0.45 -0.95 -0.11 0.00 -1.77 0.00 0.00 62.75 60.37 2poa n ILE 105 Cb -0.01 -1.06 -0.02 0.00 -1.44 0.00 0.00 39.64 37.11 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2poa n VAL 106 N 0.24 0.00 -3.47 7.28 0.24 -1.25 -3.51 118.33 117.86 2poa n VAL 106 Ca 0.21 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.08 2poa n VAL 106 Cb 0.76 -0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.98 2poa n VAL 106 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2poa s ARG 107 N 1.20 3.02 -0.25 7.34 3.52 0.19 -2.39 118.95 131.57 2poa s ARG 107 Ca 0.23 -2.21 0.01 0.00 -0.13 0.00 0.00 55.73 53.63 2poa s ARG 107 Cb -0.28 -4.13 0.04 0.00 -1.56 0.00 0.00 34.95 29.02 2poa s ARG 107 CO 0.12 -1.25 -0.10 -2.00 -0.81 0.00 0.00 175.30 171.27 2poa s GLU 108 N 0.59 2.53 -0.38 5.12 2.12 0.06 -0.87 118.70 127.87 2poa s GLU 108 Ca 0.13 -1.17 -0.25 0.00 0.36 0.00 0.00 54.97 54.04 2poa s GLU 108 Cb -0.19 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.31 2poa s GLU 108 CO -0.04 -0.48 0.91 0.54 -0.54 0.00 0.00 175.26 175.64 2poa s VAL 109 N 1.21 4.59 -0.41 3.70 0.11 -1.24 -0.68 120.40 127.68 2poa s VAL 109 Ca -0.04 1.10 -0.03 0.00 -2.93 0.00 0.00 61.98 60.09 2poa s VAL 109 Cb -0.18 -4.33 0.13 0.00 -1.53 0.00 0.00 36.38 30.48 2poa s VAL 109 CO -0.05 -0.55 2.46 0.47 -3.33 0.00 0.00 175.10 174.10 2poa n ASP 110 N 6.77 6.52 -1.51 3.54 9.92 -0.83 -4.70 116.55 136.26 2poa n ASP 110 Ca 0.06 -3.18 -0.00 0.00 -0.53 0.00 0.00 54.79 51.15 2poa n ASP 110 Cb 0.48 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 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 0.61 -0.33 4.27 0.44 0.00 -1.26 -4.44 105.19 104.48 2poa n GLY 111 Ca 0.42 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.98 -0.13 -3.36 1.61 8.00 -1.26 -4.97 116.55 115.46 2poa n ASP 112 Ca 0.00 -1.28 -0.22 0.00 0.71 0.00 0.00 54.79 53.99 2poa n ASP 112 Cb 0.47 -1.62 -0.09 0.00 -0.02 0.00 0.00 41.12 39.86 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 -4.20 -0.07 -0.82 -3.53 -1.32 -1.25 -4.39 115.64 100.05 2poa s THR 113 Ca 0.11 -1.63 -0.26 0.00 -1.21 0.00 0.00 61.69 58.70 2poa s THR 113 Cb -0.06 -0.90 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2poa s THR 113 CO 0.99 -0.84 1.40 -0.32 -2.21 0.00 0.00 174.62 173.65 2poa s MET 114 N 0.93 3.24 -0.81 7.08 1.75 -0.17 -1.96 119.30 129.36 2poa s MET 114 Ca 0.22 -0.45 -0.18 0.00 -1.25 0.00 0.00 55.69 54.03 2poa s MET 114 Cb -0.12 -4.59 0.14 0.00 2.84 0.00 0.00 34.83 33.10 2poa s MET 114 CO -0.06 -2.26 0.94 0.21 -0.65 0.00 0.00 175.02 173.20 2poa s LYS 115 N 5.66 3.44 -0.66 4.11 2.20 0.15 -2.64 119.74 132.00 2poa s LYS 115 Ca 0.42 -1.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.22 2poa s LYS 115 Cb -0.06 -4.61 0.17 0.00 -1.51 0.00 0.00 37.83 31.82 2poa s LYS 115 CO 0.07 -1.61 0.49 -0.08 -0.36 0.00 0.00 175.35 173.86 2poa s THR 116 N 2.18 4.05 -0.60 3.43 -1.32 0.12 -0.76 115.64 122.74 2poa s THR 116 Ca 0.24 -2.86 -0.28 0.00 -1.21 0.00 0.00 61.69 57.58 2poa s THR 116 Cb -0.11 -3.61 0.03 0.00 -1.51 0.00 0.00 72.50 67.30 2poa s THR 116 CO -0.04 -0.90 1.19 -0.89 -2.21 0.00 0.00 174.62 171.77 2poa s THR 117 N 0.00 3.99 -0.63 5.08 2.01 -1.01 -3.16 115.64 121.93 2poa s THR 117 Ca 0.17 0.80 -0.24 0.00 0.31 0.00 0.00 61.69 62.73 2poa s THR 117 Cb -0.19 -4.75 0.05 0.00 0.01 0.00 0.00 72.50 67.63 2poa s THR 117 CO -0.04 -1.41 1.01 0.54 -0.69 0.00 0.00 174.62 174.03 2poa s VAL 118 N 5.02 4.25 0.16 3.82 0.11 -0.18 -3.89 120.40 129.70 2poa s VAL 118 Ca 0.41 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 2poa s VAL 118 Cb -0.08 -4.67 -0.04 0.00 -1.53 0.00 0.00 36.38 30.07 2poa s VAL 118 CO 0.24 -1.38 0.26 0.28 -3.33 0.00 0.00 175.10 171.16 2poa s THR 119 N 4.29 5.15 -0.41 5.04 -1.32 -1.26 -0.47 115.64 126.65 2poa s THR 119 Ca 0.28 -0.80 0.06 0.00 -1.21 0.00 0.00 61.69 60.01 2poa s THR 119 Cb -0.14 -3.66 0.21 0.00 -1.51 0.00 0.00 72.50 67.40 2poa s THR 119 CO 0.15 -0.12 0.48 0.52 -2.21 0.00 0.00 174.62 173.44 2poa n VAL 120 N -0.61 -0.83 0.00 5.08 0.31 -1.26 -1.77 118.33 119.25 2poa n VAL 120 Ca -0.07 -3.38 0.00 0.00 -0.01 0.00 0.00 64.34 60.87 2poa n VAL 120 Cb 0.54 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 2.13 0.70 2.70 2.92 0.00 -1.26 -4.44 105.19 107.94 2poa n GLY 121 Ca 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 1.59 -0.59 0.08 1.61 5.75 -1.26 -4.99 116.55 118.74 2poa n ASP 122 Ca 0.00 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 2poa n ASP 122 Cb 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.75 0.07 -2.75 2.12 0.31 -1.26 -5.10 118.33 110.97 2poa n VAL 123 Ca -0.03 0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 2poa n VAL 123 Cb 0.84 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 -3.07 -9.36 -3.35 2.52 -1.04 -1.23 -4.98 114.28 93.76 2poa n THR 124 Ca 0.00 0.28 -0.45 0.00 -2.04 0.00 0.00 64.05 61.84 2poa n THR 124 Cb 0.00 -6.65 -0.06 0.00 -1.82 0.00 0.00 70.33 61.80 2poa n THR 124 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2poa s ALA 125 N -2.69 3.60 -0.76 2.41 0.00 0.38 -4.83 121.76 119.86 2poa s ALA 125 Ca 0.11 -2.30 -0.26 0.00 0.00 0.00 0.00 51.96 49.51 2poa s ALA 125 Cb -0.03 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.95 2poa s ALA 125 CO 0.65 -1.86 1.38 -1.50 0.00 0.00 0.00 175.76 174.43 2poa s ILE 126 N 1.64 3.69 -0.38 0.00 2.07 -1.26 -1.01 121.20 125.95 2poa s ILE 126 Ca 0.04 0.24 -0.19 0.00 -1.41 0.00 0.00 60.65 59.33 2poa s ILE 126 Cb -0.27 -4.80 0.01 0.00 0.13 0.00 0.00 42.46 37.53 2poa s ILE 126 CO 0.05 -1.74 0.58 -0.13 -1.91 0.00 0.00 174.94 171.79 2poa s ARG 127 N 5.83 3.51 -0.13 3.50 0.52 -1.19 -4.06 118.95 126.94 2poa s ARG 127 Ca 0.41 -0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2poa s ARG 127 Cb -0.08 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.52 2poa s ARG 127 CO 0.13 -0.78 -0.12 1.21 0.02 0.00 0.00 175.30 175.76 2poa s ASN 128 N 1.84 4.10 0.08 0.23 3.84 -1.24 -0.70 114.94 123.08 2poa s ASN 128 Ca 0.21 -0.30 0.04 0.00 0.21 0.00 0.00 52.86 53.02 2poa s ASN 128 Cb -0.15 -1.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.92 2poa s ASN 128 CO 0.15 0.17 -0.12 -0.31 -2.79 0.00 0.00 177.10 174.21 2poa s TYR 129 N 0.30 1.07 -0.07 0.43 1.51 -1.08 0.19 117.35 119.69 2poa s TYR 129 Ca -0.09 -0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 55.38 2poa s TYR 129 Cb -0.16 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 2poa s TYR 129 CO 0.05 0.02 0.14 0.15 -1.11 0.00 0.00 175.55 174.80 2poa s LYS 130 N -2.09 3.38 0.02 -0.62 -0.14 -0.68 -1.00 119.74 118.61 2poa s LYS 130 Ca -0.01 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.06 2poa s LYS 130 Cb -0.07 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 2poa s LYS 130 CO 0.01 0.73 1.04 0.50 -0.76 0.00 0.00 175.35 176.88 2poa s ARG 131 N -1.37 4.53 0.04 1.68 3.52 -1.26 -2.97 118.95 123.10 2poa s ARG 131 Ca 0.20 1.53 0.07 0.00 -0.13 0.00 0.00 55.73 57.39 2poa s ARG 131 Cb -0.12 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2poa s ARG 131 CO 0.09 -0.10 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.79 2poa s LEU 132 N 0.97 2.15 0.00 -0.88 1.43 0.18 -5.02 118.68 117.52 2poa s LEU 132 Ca 0.54 -0.49 0.23 0.00 -1.03 0.00 0.00 54.13 53.38 2poa s LEU 132 Cb -0.24 -0.89 0.18 0.00 0.03 0.00 0.00 46.19 45.28 2poa s LEU 132 CO 0.29 0.14 1.22 -1.54 0.23 0.00 0.00 176.35 176.68