#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy3 h SER 5 N 0.00 0.00 -1.30 1.61 0.02 -2.06 -3.38 113.55 108.44 3dy3 h SER 5 Ca 0.00 0.00 0.43 0.00 -0.84 0.00 0.00 61.79 61.38 3dy3 h SER 5 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 3dy3 h SER 5 CO 0.00 0.65 0.87 -1.14 -1.14 0.00 0.00 176.83 176.07 3dy3 n ARG 6 N -3.04 -0.02 -0.22 3.45 0.63 -1.26 -0.84 116.66 115.36 3dy3 n ARG 6 Ca -0.06 1.02 0.11 0.00 -0.92 0.00 0.00 57.85 58.00 3dy3 n ARG 6 Cb 0.85 -2.10 0.40 0.00 0.45 0.00 0.00 32.46 32.06 3dy3 n ARG 6 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3dy3 h ARG 7 N 0.00 0.63 -0.54 -0.14 2.43 -2.08 -2.66 114.38 112.03 3dy3 h ARG 7 Ca 0.76 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.89 3dy3 h ARG 7 Cb 2.62 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 32.03 3dy3 h ARG 7 CO -0.29 0.42 0.00 0.66 -1.51 0.00 0.00 179.97 179.24 3dy3 n TYR 8 N -4.51 0.72 -2.68 2.20 4.02 -0.02 -4.94 117.16 111.94 3dy3 n TYR 8 Ca 0.14 -0.50 -0.43 0.00 -0.01 0.00 0.00 57.90 57.10 3dy3 n TYR 8 Cb 0.40 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.68 3dy3 n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3dy3 s ASP 9 N -1.00 6.66 0.38 7.72 3.68 -1.00 -4.91 116.67 128.19 3dy3 s ASP 9 Ca 0.36 0.51 0.13 0.00 2.13 0.00 0.00 52.55 55.69 3dy3 s ASP 9 Cb 0.19 -2.52 0.75 0.00 -1.45 0.00 0.00 42.92 39.89 3dy3 s ASP 9 CO 0.24 -1.10 1.84 0.28 0.13 0.00 0.00 175.17 176.57 3dy3 h SER 10 N 8.90 0.00 -4.35 -0.34 0.02 -1.92 -3.48 113.55 112.38 3dy3 h SER 10 Ca -0.23 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 3dy3 h SER 10 Cb 1.07 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.67 3dy3 h SER 10 CO 1.07 0.36 -0.26 0.54 -1.14 0.00 0.00 176.83 177.40 3dy3 n ARG 11 N -4.08 -1.02 0.00 3.45 1.74 -1.26 -4.92 116.66 110.57 3dy3 n ARG 11 Ca -0.02 0.75 0.05 0.00 -0.77 0.00 0.00 57.85 57.87 3dy3 n ARG 11 Cb 0.40 -3.91 0.30 0.00 -1.02 0.00 0.00 32.46 28.22 3dy3 n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dy3 n THR 12 N -1.98 0.31 -2.95 0.55 -2.24 -1.26 -3.80 114.28 102.90 3dy3 n THR 12 Ca -0.02 0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 3dy3 n THR 12 Cb 0.54 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 3dy3 n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dy3 n THR 13 N -1.12 1.73 -4.26 4.28 -2.24 -1.26 -4.61 114.28 106.80 3dy3 n THR 13 Ca 0.07 -4.97 -0.15 0.00 -2.27 0.00 0.00 64.05 56.74 3dy3 n THR 13 Cb 0.06 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 3dy3 n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3dy3 s ILE 14 N -3.80 1.06 0.25 2.28 -4.36 -1.25 -4.90 121.20 110.48 3dy3 s ILE 14 Ca 0.44 -2.04 -0.16 0.00 -0.26 0.00 0.00 60.65 58.63 3dy3 s ILE 14 Cb 0.33 -1.99 -0.08 0.00 1.25 0.00 0.00 42.46 41.97 3dy3 s ILE 14 CO -0.11 -0.63 0.69 -0.36 0.24 0.00 0.00 174.94 174.77 3dy3 s PHE 15 N -3.40 3.53 0.72 1.37 0.08 -1.26 -4.24 117.98 114.78 3dy3 s PHE 15 Ca 0.20 1.24 -0.09 0.00 0.12 0.00 0.00 56.93 58.40 3dy3 s PHE 15 Cb 0.04 -2.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.01 3dy3 s PHE 15 CO 0.03 0.26 1.07 -1.54 -0.10 0.00 0.00 175.22 174.93 3dy3 s SER 16 N -1.94 4.91 0.48 1.36 1.04 0.93 -4.87 113.70 115.62 3dy3 s SER 16 Ca 0.47 0.70 0.32 0.00 0.48 0.00 0.00 55.95 57.92 3dy3 s SER 16 Cb -0.14 -1.37 1.68 0.00 0.10 0.00 0.00 66.02 66.29 3dy3 s SER 16 CO 0.19 -1.59 1.99 -0.65 0.98 0.00 0.00 173.24 174.16 3dy3 h PRO 17 N -0.70 0.00 -0.17 4.02 0.11 -1.98 0.70 132.00 133.98 3dy3 h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dy3 h PRO 17 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3dy3 h PRO 17 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 3dy3 n GLU 18 N -2.67 1.84 -1.75 1.05 4.71 -1.26 -4.92 120.64 117.64 3dy3 n GLU 18 Ca -0.01 -1.25 -0.01 0.00 -0.01 0.00 0.00 57.16 55.88 3dy3 n GLU 18 Cb 0.10 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.10 3dy3 n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dy3 n GLY 19 N 1.19 0.37 3.79 0.62 0.00 0.24 -5.06 105.19 106.33 3dy3 n GLY 19 Ca 0.17 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 3dy3 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dy3 s ARG 20 N -3.51 2.66 -0.61 1.61 0.52 -1.26 -4.78 118.95 113.59 3dy3 s ARG 20 Ca 0.00 -1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 53.87 3dy3 s ARG 20 Cb 0.00 -2.40 0.16 0.00 0.52 0.00 0.00 34.95 33.23 3dy3 s ARG 20 CO 0.00 0.26 0.47 -0.51 0.02 0.00 0.00 175.30 175.54 3dy3 s LEU 21 N -3.86 5.73 0.03 2.53 1.43 -1.26 -0.05 118.68 123.23 3dy3 s LEU 21 Ca 0.36 -2.48 -0.06 0.00 -1.03 0.00 0.00 54.13 50.91 3dy3 s LEU 21 Cb -0.06 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3dy3 s LEU 21 CO 0.24 -0.53 0.65 -1.22 0.23 0.00 0.00 176.35 175.72 3dy3 n TYR 22 N 4.09 -0.09 -0.31 0.29 4.01 -1.26 -0.66 117.16 123.23 3dy3 n TYR 22 Ca 0.04 0.26 0.06 0.00 -0.16 0.00 0.00 57.90 58.09 3dy3 n TYR 22 Cb 0.41 -0.37 0.21 0.00 -0.31 0.00 0.00 39.34 39.28 3dy3 n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3dy3 h GLN 23 N 0.00 0.76 -0.47 -0.72 1.08 -1.91 0.31 115.11 114.17 3dy3 h GLN 23 Ca 0.03 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3dy3 h GLN 23 Cb 0.08 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 3dy3 h GLN 23 CO -0.19 0.50 0.22 0.28 -0.95 0.00 0.00 178.83 178.68 3dy3 h VAL 24 N 0.78 1.19 0.11 -0.54 2.07 -1.23 0.49 116.25 119.13 3dy3 h VAL 24 Ca 0.45 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3dy3 h VAL 24 Cb 0.52 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3dy3 h VAL 24 CO -0.30 0.21 -0.13 -0.33 0.02 0.00 0.00 177.57 177.04 3dy3 h GLU 25 N 0.61 -0.27 -0.32 1.57 4.39 0.58 -0.95 114.58 120.19 3dy3 h GLU 25 Ca 0.16 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 3dy3 h GLU 25 Cb 0.14 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3dy3 h GLU 25 CO -0.02 -0.18 -0.12 1.88 -1.16 0.00 0.00 179.01 179.41 3dy3 h TYR 26 N -0.28 0.58 -0.49 4.33 0.05 -0.24 -1.08 116.97 119.84 3dy3 h TYR 26 Ca 0.01 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3dy3 h TYR 26 Cb 0.28 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3dy3 h TYR 26 CO -0.14 0.65 0.32 0.00 -1.05 0.00 0.00 178.16 177.94 3dy3 h ALA 27 N 1.37 0.63 -0.74 3.88 0.00 0.35 -0.19 119.26 124.56 3dy3 h ALA 27 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dy3 h ALA 27 Cb 0.51 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3dy3 h ALA 27 CO 0.03 0.09 0.45 -0.07 0.00 0.00 0.00 179.25 179.75 3dy3 h LEU 28 N 0.67 0.88 -1.59 0.00 3.38 -0.60 0.03 115.31 118.07 3dy3 h LEU 28 Ca 0.18 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3dy3 h LEU 28 Cb -0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3dy3 h LEU 28 CO -0.04 0.67 0.38 -0.08 0.09 0.00 0.00 178.44 179.46 3dy3 h GLU 29 N 1.01 0.48 -0.10 1.13 4.57 -0.31 0.05 114.58 121.41 3dy3 h GLU 29 Ca 0.27 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3dy3 h GLU 29 Cb -0.05 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3dy3 h GLU 29 CO -0.05 0.32 -0.12 1.03 -1.18 0.00 0.00 179.01 179.01 3dy3 h SER 30 N 0.49 0.27 0.06 1.04 0.87 0.52 -3.18 113.55 113.62 3dy3 h SER 30 Ca 0.25 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 3dy3 h SER 30 Cb 0.35 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3dy3 h SER 30 CO -0.07 0.72 -0.06 0.40 -0.53 0.00 0.00 176.83 177.30 3dy3 h ILE 31 N -0.17 1.01 0.00 2.23 2.04 0.02 -2.07 117.51 120.58 3dy3 h ILE 31 Ca 0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3dy3 h ILE 31 Cb 0.66 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3dy3 h ILE 31 CO 0.03 0.06 0.00 -1.54 0.00 0.00 0.00 178.15 176.70 3dy3 n SER 32 N -4.43 0.00 -0.58 1.72 3.41 -0.10 -1.36 113.62 112.29 3dy3 n SER 32 Ca -0.03 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 3dy3 n SER 32 Cb 0.14 -0.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.78 3dy3 n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3dy3 n HIS 33 N -1.38 0.06 -2.96 7.33 8.25 -0.78 -3.48 115.22 122.26 3dy3 n HIS 33 Ca 0.03 -0.06 -0.33 0.00 -0.26 0.00 0.00 57.72 57.10 3dy3 n HIS 33 Cb 0.08 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 3dy3 n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dy3 s ALA 34 N -1.14 3.19 0.24 -1.41 0.00 -0.46 -4.80 121.76 117.38 3dy3 s ALA 34 Ca 0.18 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 3dy3 s ALA 34 Cb 0.12 -2.98 -0.16 0.00 0.00 0.00 0.00 23.12 20.10 3dy3 s ALA 34 CO 0.18 0.23 0.74 0.41 0.00 0.00 0.00 175.76 177.31 3dy3 n GLY 35 N -0.31 -1.09 3.76 0.00 0.00 -1.26 -0.60 105.19 105.69 3dy3 n GLY 35 Ca 0.04 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 3dy3 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dy3 s THR 36 N -1.00 2.91 -0.07 2.61 2.01 -1.26 -4.39 115.64 116.45 3dy3 s THR 36 Ca 0.62 0.88 0.03 0.00 0.31 0.00 0.00 61.69 63.53 3dy3 s THR 36 Cb -0.84 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.12 3dy3 s THR 36 CO 0.58 0.19 -0.18 0.00 -0.69 0.00 0.00 174.62 174.52 3dy3 s ALA 37 N -0.88 1.67 -0.02 7.40 0.00 -0.23 -0.63 121.76 129.07 3dy3 s ALA 37 Ca 0.50 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.82 3dy3 s ALA 37 Cb -0.38 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3dy3 s ALA 37 CO 0.48 0.22 -0.19 0.42 0.00 0.00 0.00 175.76 176.70 3dy3 s ILE 38 N 0.38 1.47 -0.11 0.00 1.01 0.28 -0.62 121.20 123.60 3dy3 s ILE 38 Ca -0.13 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 3dy3 s ILE 38 Cb -0.16 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.12 3dy3 s ILE 38 CO 0.05 0.42 -0.09 -0.83 0.00 0.00 0.00 174.94 174.49 3dy3 s GLY 39 N -0.41 0.87 -0.11 6.18 0.00 0.63 -0.70 107.32 113.78 3dy3 s GLY 39 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.21 3dy3 s GLY 39 CO -0.01 0.70 -0.16 -0.42 0.00 0.00 0.00 173.10 173.21 3dy3 s ILE 40 N 1.57 1.58 -0.32 0.90 1.01 -0.17 -0.74 121.20 125.03 3dy3 s ILE 40 Ca 0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 3dy3 s ILE 40 Cb -0.13 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3dy3 s ILE 40 CO -0.07 0.46 0.14 -0.32 0.00 0.00 0.00 174.94 175.14 3dy3 s MET 41 N 0.99 3.09 0.00 2.79 -2.45 0.11 -0.22 119.30 123.61 3dy3 s MET 41 Ca -0.06 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.50 3dy3 s MET 41 Cb -0.15 -3.55 0.00 0.00 1.25 0.00 0.00 34.83 32.39 3dy3 s MET 41 CO -0.02 -0.51 0.00 0.00 1.05 0.00 0.00 175.02 175.53 3dy3 n ALA 42 N 4.94 0.00 0.01 4.11 0.00 0.23 -4.85 120.51 124.96 3dy3 n ALA 42 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3dy3 n ALA 42 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 3dy3 n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dy3 n SER 43 N -1.81 0.86 -0.67 0.00 3.41 -1.02 -4.18 113.62 110.21 3dy3 n SER 43 Ca 0.00 0.39 0.06 0.00 -0.26 0.00 0.00 58.87 59.06 3dy3 n SER 43 Cb 0.00 0.10 0.21 0.00 -0.26 0.00 0.00 64.21 64.26 3dy3 n SER 43 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dy3 n ASP 44 N -2.93 2.95 0.00 4.04 3.85 -1.26 -4.97 116.55 118.23 3dy3 n ASP 44 Ca -0.12 -3.27 0.00 0.00 -0.71 0.00 0.00 54.79 50.69 3dy3 n ASP 44 Cb 0.90 -0.53 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 3dy3 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dy3 n GLY 45 N -0.97 0.02 3.21 6.12 0.00 -1.26 -3.85 105.19 108.45 3dy3 n GLY 45 Ca 0.22 -1.22 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 3dy3 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dy3 s ILE 46 N -2.00 1.25 -0.06 -0.61 1.01 -0.86 -0.60 121.20 119.33 3dy3 s ILE 46 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 60.65 59.17 3dy3 s ILE 46 Cb 0.00 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.15 3dy3 s ILE 46 CO 0.00 -0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 173.78 3dy3 s VAL 47 N -1.70 1.41 -0.12 2.92 1.01 0.70 -1.43 120.40 123.18 3dy3 s VAL 47 Ca 0.04 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3dy3 s VAL 47 Cb -0.07 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3dy3 s VAL 47 CO 0.03 0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 3dy3 s LEU 48 N 0.32 2.06 -0.02 3.92 1.43 0.14 -1.00 118.68 125.54 3dy3 s LEU 48 Ca -0.10 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3dy3 s LEU 48 Cb -0.14 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.70 3dy3 s LEU 48 CO 0.04 0.10 -0.03 0.00 0.23 0.00 0.00 176.35 176.69 3dy3 s ALA 49 N 0.67 0.43 0.03 4.21 0.00 0.13 -1.13 121.76 126.10 3dy3 s ALA 49 Ca -0.11 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3dy3 s ALA 49 Cb -0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3dy3 s ALA 49 CO 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 175.76 175.72 3dy3 s ALA 50 N 0.60 0.43 -0.27 0.00 0.00 -0.68 0.98 121.76 122.83 3dy3 s ALA 50 Ca -0.07 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3dy3 s ALA 50 Cb -0.10 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3dy3 s ALA 50 CO -0.01 -0.04 0.15 -2.00 0.00 0.00 0.00 175.76 173.87 3dy3 s GLU 51 N -1.32 3.84 -0.18 0.00 2.12 0.19 -1.48 118.70 121.87 3dy3 s GLU 51 Ca -0.10 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 3dy3 s GLU 51 Cb -0.09 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 3dy3 s GLU 51 CO 0.00 -0.19 1.88 1.03 -0.54 0.00 0.00 175.26 177.44 3dy3 s ARG 52 N 1.71 3.61 0.08 4.30 0.52 0.91 -4.15 118.95 125.94 3dy3 s ARG 52 Ca 0.07 1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 56.90 3dy3 s ARG 52 Cb -0.16 -4.18 -0.05 0.00 0.52 0.00 0.00 34.95 31.08 3dy3 s ARG 52 CO 0.09 -1.53 1.05 0.21 0.02 0.00 0.00 175.30 175.13 3dy3 s LYS 53 N 5.24 4.58 0.16 3.54 2.20 -1.26 -4.67 119.74 129.52 3dy3 s LYS 53 Ca 0.84 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 3dy3 s LYS 53 Cb -0.30 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3dy3 s LYS 53 CO 0.34 0.01 0.00 0.28 -0.36 0.00 0.00 175.35 175.61 3dy3 n VAL 54 N 3.28-12.75 -4.15 4.02 0.31 -1.26 -5.01 118.33 102.77 3dy3 n VAL 54 Ca 0.05 3.19 -0.13 0.00 -0.01 0.00 0.00 64.34 67.44 3dy3 n VAL 54 Cb 0.49 -5.36 -0.08 0.00 -0.91 0.00 0.00 33.84 27.98 3dy3 n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dy3 s THR 55 N -0.50 0.00 0.26 2.52 -4.23 -1.26 -5.15 115.64 107.27 3dy3 s THR 55 Ca 0.00 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 3dy3 s THR 55 Cb 0.00 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 3dy3 s THR 55 CO 0.00 0.00 0.45 -0.55 -0.54 0.00 0.00 174.62 173.98 3dy3 s SER 56 N -3.17 0.04 0.16 3.99 0.15 -1.26 -5.01 113.70 108.60 3dy3 s SER 56 Ca 0.34 -1.04 -0.12 0.00 0.70 0.00 0.00 55.95 55.84 3dy3 s SER 56 Cb 0.04 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 64.98 3dy3 s SER 56 CO 0.15 -1.15 1.67 0.74 1.20 0.00 0.00 173.24 175.85 3dy3 h THR 57 N 2.27 1.25 0.00 6.45 2.02 -2.02 -3.06 112.91 119.80 3dy3 h THR 57 Ca -0.27 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 65.96 3dy3 h THR 57 Cb 1.25 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3dy3 h THR 57 CO 0.37 0.32 -0.31 -0.07 0.37 0.00 0.00 175.52 176.21 3dy3 h LEU 58 N 0.80 0.00 -9.03 2.58 4.07 -2.06 -3.45 115.31 108.21 3dy3 h LEU 58 Ca 0.18 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.49 3dy3 h LEU 58 Cb 0.34 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.09 3dy3 h LEU 58 CO 0.00 0.31 1.20 -0.11 -1.08 0.00 0.00 178.44 178.76 3dy3 n LEU 59 N -3.29 2.94 -4.60 1.67 7.94 -1.16 -4.85 117.00 115.65 3dy3 n LEU 59 Ca 0.01 0.76 -0.43 0.00 -1.11 0.00 0.00 56.01 55.24 3dy3 n LEU 59 Cb 0.57 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 3dy3 n LEU 59 CO 0.36 -0.34 1.47 -0.70 -1.11 0.00 0.00 177.39 177.07 3dy3 s GLU 60 N 4.82 3.45 0.00 1.96 2.56 -1.26 -4.87 118.70 125.36 3dy3 s GLU 60 Ca 0.99 1.41 0.09 0.00 0.00 0.00 0.00 54.97 57.46 3dy3 s GLU 60 Cb -0.75 -4.15 -0.23 0.00 2.00 0.00 0.00 34.13 31.00 3dy3 s GLU 60 CO 0.51 -1.72 0.84 0.37 -0.56 0.00 0.00 175.26 174.71 3dy3 h GLN 61 N 12.22 0.03 0.00 4.30 4.15 -1.94 -3.24 115.11 130.63 3dy3 h GLN 61 Ca -0.33 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 3dy3 h GLN 61 Cb 1.16 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 3dy3 h GLN 61 CO 1.03 0.71 -0.13 -0.44 -1.93 0.00 0.00 178.83 178.08 3dy3 h ASP 62 N 0.01 0.00 -0.56 -0.69 5.19 -2.02 -1.85 116.42 116.50 3dy3 h ASP 62 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3dy3 h ASP 62 Cb 1.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.46 3dy3 h ASP 62 CO 0.10 0.13 0.00 0.41 -3.12 0.00 0.00 179.24 176.76 3dy3 n THR 63 N -4.05 0.90 -3.86 0.35 -1.04 -1.25 -4.97 114.28 100.35 3dy3 n THR 63 Ca -0.02 -0.95 -0.37 0.00 -2.04 0.00 0.00 64.05 60.67 3dy3 n THR 63 Cb 0.21 0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 69.24 3dy3 n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3dy3 s SER 63 N -1.06 6.37 -0.42 8.00 0.15 -0.70 -5.05 113.70 120.99 3dy3 s SER 63 Ca 0.39 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.54 3dy3 s SER 63 Cb 0.21 -2.07 0.17 0.00 -1.71 0.00 0.00 66.02 62.62 3dy3 s SER 63 CO 0.28 0.38 0.51 -0.89 1.20 0.00 0.00 173.24 174.72 3dy3 s THR 64 N -0.87 -0.55 -1.47 6.45 2.01 -1.26 -5.00 115.64 114.95 3dy3 s THR 64 Ca 0.14 -0.97 0.16 0.00 0.31 0.00 0.00 61.69 61.33 3dy3 s THR 64 Cb -0.12 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 3dy3 s THR 64 CO 0.03 -0.40 0.86 -1.84 -0.69 0.00 0.00 174.62 172.58 3dy3 n GLU 65 N 3.82 1.67 0.00 4.92 0.28 -1.26 -4.78 120.64 125.29 3dy3 n GLU 65 Ca 0.15 -0.80 0.00 0.00 -0.16 0.00 0.00 57.16 56.35 3dy3 n GLU 65 Cb 0.51 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.10 3dy3 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dy3 n LYS 66 N -0.14 3.63 -3.95 3.44 5.02 -1.26 -4.83 118.16 120.07 3dy3 n LYS 66 Ca 0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 3dy3 n LYS 66 Cb 0.34 -0.57 -0.14 0.00 -0.02 0.00 0.00 35.03 34.64 3dy3 n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dy3 s LEU 67 N -0.73 3.07 -0.04 -0.35 1.02 -1.26 0.26 118.68 120.64 3dy3 s LEU 67 Ca 0.00 -0.74 0.05 0.00 0.02 0.00 0.00 54.13 53.46 3dy3 s LEU 67 Cb 0.00 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.53 3dy3 s LEU 67 CO 0.00 -0.10 -0.20 -0.31 0.02 0.00 0.00 176.35 175.76 3dy3 s TYR 68 N 1.36 1.97 -0.21 0.29 2.02 -0.75 -4.99 117.35 117.06 3dy3 s TYR 68 Ca 0.02 -0.54 -0.25 0.00 -0.37 0.00 0.00 57.07 55.93 3dy3 s TYR 68 Cb -0.16 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3dy3 s TYR 68 CO -0.05 -0.16 0.85 0.21 -1.57 0.00 0.00 175.55 174.83 3dy3 s LYS 69 N -0.13 4.24 -0.16 -0.62 2.20 -1.26 -1.35 119.74 122.67 3dy3 s LYS 69 Ca -0.02 1.01 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 3dy3 s LYS 69 Cb -0.12 -3.61 -0.23 0.00 -1.51 0.00 0.00 37.83 32.36 3dy3 s LYS 69 CO 0.02 -0.44 0.21 1.28 -0.36 0.00 0.00 175.35 176.07 3dy3 n LEU 70 N 5.66 2.47 0.00 5.43 4.77 -0.18 -4.99 117.00 130.17 3dy3 n LEU 70 Ca 0.06 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3dy3 n LEU 70 Cb 0.48 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3dy3 n LEU 70 CO 0.48 0.82 0.06 -3.20 -1.33 0.00 0.00 177.39 174.22 3dy3 n ASN 71 N -3.35 -0.67 0.17 -1.43 4.05 -0.79 -4.49 115.26 108.75 3dy3 n ASN 71 Ca -0.35 -2.08 0.13 0.00 0.45 0.00 0.00 54.58 52.73 3dy3 n ASN 71 Cb 1.04 1.30 0.32 0.00 1.23 0.00 0.00 39.78 43.66 3dy3 n ASN 71 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 3dy3 h ASP 72 N 1.10 0.00 0.00 1.20 3.32 -2.01 -3.30 116.42 116.73 3dy3 h ASP 72 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3dy3 h ASP 72 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3dy3 h ASP 72 CO 0.20 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.01 3dy3 n LYS 73 N -2.71 1.43 -4.08 3.56 5.02 -1.26 -4.41 118.16 115.70 3dy3 n LYS 73 Ca 0.04 -1.09 -0.18 0.00 -2.02 0.00 0.00 58.31 55.06 3dy3 n LYS 73 Cb 0.46 -0.99 -0.16 0.00 -0.02 0.00 0.00 35.03 34.32 3dy3 n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dy3 s ILE 74 N -0.60 0.37 0.08 -0.18 1.01 -1.24 -1.36 121.20 119.28 3dy3 s ILE 74 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3dy3 s ILE 74 Cb 0.00 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 3dy3 s ILE 74 CO 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 174.94 175.04 3dy3 s ALA 75 N 0.67 0.86 0.08 9.38 0.00 -0.14 -1.01 121.76 131.60 3dy3 s ALA 75 Ca -0.08 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.67 3dy3 s ALA 75 Cb -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3dy3 s ALA 75 CO -0.01 -0.23 -0.12 0.14 0.00 0.00 0.00 175.76 175.55 3dy3 s VAL 76 N -3.39 0.99 -0.14 0.00 -7.23 -0.46 -0.88 120.40 109.30 3dy3 s VAL 76 Ca 0.08 -1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 3dy3 s VAL 76 Cb 0.04 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 3dy3 s VAL 76 CO -0.05 -0.37 -0.06 0.00 -0.31 0.00 0.00 175.10 174.31 3dy3 s ALA 77 N -1.72 2.90 -0.10 1.32 0.00 0.32 -1.80 121.76 122.67 3dy3 s ALA 77 Ca 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3dy3 s ALA 77 Cb -0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 3dy3 s ALA 77 CO 0.01 0.26 0.14 0.08 0.00 0.00 0.00 175.76 176.25 3dy3 s VAL 78 N 0.25 5.40 -0.22 0.00 1.01 0.14 -1.68 120.40 125.30 3dy3 s VAL 78 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 3dy3 s VAL 78 Cb -0.14 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.93 3dy3 s VAL 78 CO 0.04 0.56 0.10 0.00 0.00 0.00 0.00 175.10 175.79 3dy3 s ALA 79 N -1.07 0.65 0.00 5.51 0.00 -0.72 -4.81 121.76 121.31 3dy3 s ALA 79 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3dy3 s ALA 79 Cb -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3dy3 s ALA 79 CO 0.07 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3dy3 n GLY 80 N 5.21 0.54 3.58 0.00 0.00 -1.26 -1.73 105.19 111.52 3dy3 n GLY 80 Ca -0.07 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3dy3 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dy3 s LEU 81 N 0.00 3.45 0.21 0.99 2.01 0.27 -4.90 118.68 120.71 3dy3 s LEU 81 Ca 0.00 0.69 -0.10 0.00 0.01 0.00 0.00 54.13 54.73 3dy3 s LEU 81 Cb 0.00 -3.18 0.30 0.00 0.01 0.00 0.00 46.19 43.31 3dy3 s LEU 81 CO 0.00 -1.78 1.68 0.74 1.01 0.00 0.00 176.35 178.00 3dy3 h THR 82 N 6.61 0.56 -0.67 5.49 2.02 -1.91 -0.82 112.91 124.20 3dy3 h THR 82 Ca -0.29 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 66.88 3dy3 h THR 82 Cb 1.13 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3dy3 h THR 82 CO 1.13 0.03 0.39 0.00 0.37 0.00 0.00 175.52 177.43 3dy3 h ALA 83 N 1.52 0.90 -0.43 6.16 0.00 -1.99 -0.14 119.26 125.28 3dy3 h ALA 83 Ca 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3dy3 h ALA 83 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3dy3 h ALA 83 CO -0.47 0.08 0.15 -0.44 0.00 0.00 0.00 179.25 178.57 3dy3 h ASP 84 N 0.72 0.62 -0.16 0.00 3.45 -1.67 -2.99 116.42 116.39 3dy3 h ASP 84 Ca 0.29 -0.19 0.05 0.00 0.43 0.00 0.00 57.03 57.61 3dy3 h ASP 84 Cb 0.15 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 38.71 3dy3 h ASP 84 CO -0.16 0.65 -0.17 0.00 -1.57 0.00 0.00 179.24 177.99 3dy3 h ALA 85 N 0.99 -0.07 -0.93 3.45 0.00 -0.42 -2.32 119.26 119.96 3dy3 h ALA 85 Ca 0.14 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.23 3dy3 h ALA 85 Cb 0.24 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 3dy3 h ALA 85 CO -0.01 -0.61 0.56 0.93 0.00 0.00 0.00 179.25 180.12 3dy3 h GLU 86 N -0.19 0.85 0.01 0.00 5.08 -0.92 0.42 114.58 119.83 3dy3 h GLU 86 Ca 0.10 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3dy3 h GLU 86 Cb 0.35 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3dy3 h GLU 86 CO -0.27 0.56 -0.16 0.82 -1.00 0.00 0.00 179.01 178.96 3dy3 h ILE 87 N 0.87 0.61 -0.17 3.13 1.08 -1.29 -0.95 117.51 120.79 3dy3 h ILE 87 Ca 0.47 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.93 3dy3 h ILE 87 Cb 0.50 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3dy3 h ILE 87 CO -0.28 0.00 0.08 -0.07 -0.69 0.00 0.00 178.15 177.19 3dy3 h LEU 88 N -0.28 0.22 -0.65 1.44 3.38 -0.90 -2.76 115.31 115.78 3dy3 h LEU 88 Ca 0.05 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.01 3dy3 h LEU 88 Cb 0.33 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 3dy3 h LEU 88 CO -0.15 0.30 0.17 0.40 0.09 0.00 0.00 178.44 179.25 3dy3 h ILE 89 N 0.14 0.64 -0.46 1.22 2.04 -0.01 -1.11 117.51 119.97 3dy3 h ILE 89 Ca 0.06 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3dy3 h ILE 89 Cb 0.13 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3dy3 h ILE 89 CO -0.01 0.06 0.08 -1.13 0.00 0.00 0.00 178.15 177.15 3dy3 h ASN 90 N 0.31 0.73 0.22 1.72 -1.24 -1.05 -0.56 115.58 115.71 3dy3 h ASN 90 Ca 0.34 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 3dy3 h ASN 90 Cb 0.52 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 3dy3 h ASN 90 CO -0.41 0.80 -0.11 0.71 -1.29 0.00 0.00 177.43 177.12 3dy3 h THR 91 N 0.63 0.76 0.15 -3.57 1.35 -1.08 -2.06 112.91 109.09 3dy3 h THR 91 Ca 0.14 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 3dy3 h THR 91 Cb 0.37 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3dy3 h THR 91 CO 0.01 0.11 -0.07 0.00 -0.25 0.00 0.00 175.52 175.32 3dy3 h ALA 92 N 1.89 -0.21 -0.92 6.62 0.00 -0.48 -1.04 119.26 125.11 3dy3 h ALA 92 Ca -0.00 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3dy3 h ALA 92 Cb 0.26 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3dy3 h ALA 92 CO 0.01 -0.39 0.52 0.00 0.00 0.00 0.00 179.25 179.40 3dy3 h ARG 93 N -0.66 0.73 -0.26 0.00 3.08 -0.65 -0.69 114.38 115.94 3dy3 h ARG 93 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3dy3 h ARG 93 Cb 0.49 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3dy3 h ARG 93 CO 0.03 0.48 0.03 0.82 -1.07 0.00 0.00 179.97 180.27 3dy3 h ILE 94 N 0.75 1.24 -0.92 2.04 2.04 -1.35 -2.61 117.51 118.69 3dy3 h ILE 94 Ca 0.49 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.63 3dy3 h ILE 94 Cb 0.65 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3dy3 h ILE 94 CO -0.33 0.26 0.56 -0.74 0.00 0.00 0.00 178.15 177.90 3dy3 h HIS 95 N 0.24 1.02 -0.28 1.37 2.76 0.20 0.00 115.15 120.46 3dy3 h HIS 95 Ca 0.08 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3dy3 h HIS 95 Cb 0.36 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3dy3 h HIS 95 CO 0.03 0.42 0.16 0.00 -1.30 0.00 0.00 177.93 177.24 3dy3 h ALA 96 N 1.49 0.35 -0.32 5.26 0.00 -0.96 -1.97 119.26 123.11 3dy3 h ALA 96 Ca 0.45 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 3dy3 h ALA 96 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3dy3 h ALA 96 CO -0.25 -0.21 -0.13 1.96 0.00 0.00 0.00 179.25 180.62 3dy3 h GLN 97 N 0.34 0.56 -0.58 0.00 1.08 -0.91 -1.97 115.11 113.63 3dy3 h GLN 97 Ca 0.11 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3dy3 h GLN 97 Cb 0.00 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3dy3 h GLN 97 CO -0.05 0.68 0.16 -0.91 -0.95 0.00 0.00 178.83 177.75 3dy3 h ASN 98 N 0.52 0.87 -0.02 1.46 2.35 -0.64 0.10 115.58 120.22 3dy3 h ASN 98 Ca 0.09 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3dy3 h ASN 98 Cb 0.52 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3dy3 h ASN 98 CO 0.03 0.86 0.01 0.22 -1.65 0.00 0.00 177.43 176.91 3dy3 h TYR 99 N 0.83 0.03 -0.63 1.19 3.20 -1.11 -0.14 116.97 120.34 3dy3 h TYR 99 Ca 0.18 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3dy3 h TYR 99 Cb 0.33 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 3dy3 h TYR 99 CO 0.02 0.02 0.38 1.25 -1.64 0.00 0.00 178.16 178.19 3dy3 h LEU 100 N 0.03 0.61 -0.78 2.82 5.85 -1.12 0.49 115.31 123.21 3dy3 h LEU 100 Ca 0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3dy3 h LEU 100 Cb -0.00 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3dy3 h LEU 100 CO -0.00 0.42 0.19 0.50 -0.34 0.00 0.00 178.44 179.21 3dy3 h LYS 101 N 0.74 1.11 -0.15 1.25 3.64 -0.46 0.46 116.57 123.16 3dy3 h LYS 101 Ca 0.26 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3dy3 h LYS 101 Cb 0.05 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3dy3 h LYS 101 CO -0.12 0.96 -0.52 1.15 -2.27 0.00 0.00 179.45 178.65 3dy3 h THR 102 N 1.06 1.33 0.00 1.00 2.02 -0.45 -3.39 112.91 114.48 3dy3 h THR 102 Ca 0.22 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3dy3 h THR 102 Cb 0.34 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 3dy3 h THR 102 CO -0.00 0.55 -1.57 -1.22 0.37 0.00 0.00 175.52 173.65 3dy3 n TYR 103 N -4.17 0.00 -2.10 3.16 4.01 0.11 -5.00 117.16 113.17 3dy3 n TYR 103 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 3dy3 n TYR 103 Cb 0.61 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.34 3dy3 n TYR 103 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3dy3 n ASN 104 N -1.94 -3.17 -3.83 7.72 3.02 0.16 -5.02 115.26 112.21 3dy3 n ASN 104 Ca -0.02 0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 3dy3 n ASN 104 Cb 0.33 -2.38 -0.15 0.00 -0.61 0.00 0.00 39.78 36.97 3dy3 n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3dy3 s GLU 105 N -4.31 -0.01 0.45 3.52 2.02 -1.25 -5.06 118.70 114.05 3dy3 s GLU 105 Ca 0.00 0.09 -0.25 0.00 0.02 0.00 0.00 54.97 54.82 3dy3 s GLU 105 Cb 0.00 -0.10 -0.09 0.00 0.10 0.00 0.00 34.13 34.04 3dy3 s GLU 105 CO 0.00 -0.07 1.38 -0.25 0.02 0.00 0.00 175.26 176.34 3dy3 n ASP 106 N 3.55 3.06 -4.69 -0.19 8.00 -1.26 -3.92 116.55 121.10 3dy3 n ASP 106 Ca -0.19 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.00 3dy3 n ASP 106 Cb 0.56 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 3dy3 n ASP 106 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3dy3 s ILE 107 N -1.20 3.09 0.29 0.53 2.07 -1.26 -4.95 121.20 119.77 3dy3 s ILE 107 Ca 0.61 0.56 -0.30 0.00 -1.41 0.00 0.00 60.65 60.11 3dy3 s ILE 107 Cb -0.47 -3.36 -0.12 0.00 0.13 0.00 0.00 42.46 38.64 3dy3 s ILE 107 CO 0.57 0.00 1.47 -2.65 -1.91 0.00 0.00 174.94 172.43 3dy3 n PRO 108 N 5.42 2.38 -0.19 3.50 -0.02 -1.26 -4.87 135.00 139.96 3dy3 n PRO 108 Ca 0.15 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.47 3dy3 n PRO 108 Cb 0.41 -2.54 0.06 0.00 -0.02 0.00 0.00 33.50 31.40 3dy3 n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dy3 h VAL 109 N 3.07 0.43 -0.78 -1.45 2.07 -1.92 -1.87 116.25 115.79 3dy3 h VAL 109 Ca -0.47 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3dy3 h VAL 109 Cb 1.25 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3dy3 h VAL 109 CO 0.74 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 178.64 3dy3 h GLU 110 N 0.02 1.12 -0.73 1.57 4.81 -1.99 -2.11 114.58 117.27 3dy3 h GLU 110 Ca 0.29 -0.15 0.12 0.00 -0.13 0.00 0.00 59.36 59.48 3dy3 h GLU 110 Cb 0.44 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.53 3dy3 h GLU 110 CO -0.59 0.86 0.31 0.82 -0.73 0.00 0.00 179.01 179.68 3dy3 h ILE 111 N 1.10 0.73 -0.51 2.32 2.04 -1.71 0.36 117.51 121.84 3dy3 h ILE 111 Ca 0.27 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 3dy3 h ILE 111 Cb 0.09 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3dy3 h ILE 111 CO -0.04 0.09 -0.05 0.25 0.00 0.00 0.00 178.15 178.40 3dy3 h LEU 112 N 0.49 0.94 -0.61 1.44 6.46 -1.31 -2.90 115.31 119.82 3dy3 h LEU 112 Ca 0.39 -0.33 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3dy3 h LEU 112 Cb 0.53 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3dy3 h LEU 112 CO -0.35 1.05 0.14 0.58 -0.62 0.00 0.00 178.44 179.24 3dy3 h VAL 113 N 0.81 1.25 -0.51 1.05 2.07 -0.41 -2.70 116.25 117.81 3dy3 h VAL 113 Ca 0.14 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3dy3 h VAL 113 Cb 0.60 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3dy3 h VAL 113 CO 0.04 0.35 0.13 -0.09 0.02 0.00 0.00 177.57 178.01 3dy3 h ARG 114 N 0.90 0.76 0.19 1.57 2.43 -0.29 -1.37 114.38 118.58 3dy3 h ARG 114 Ca 0.19 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3dy3 h ARG 114 Cb 0.37 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3dy3 h ARG 114 CO 0.00 0.69 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.97 3dy3 h ARG 115 N 0.74 -0.25 -0.93 0.20 9.65 -1.42 0.31 114.38 122.68 3dy3 h ARG 115 Ca 0.17 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.14 3dy3 h ARG 115 Cb 0.27 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 3dy3 h ARG 115 CO -0.00 0.11 0.60 1.25 2.80 0.00 0.00 179.97 184.73 3dy3 h LEU 116 N -0.64 0.91 -0.62 3.80 6.46 -1.41 0.22 115.31 124.02 3dy3 h LEU 116 Ca -0.03 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 3dy3 h LEU 116 Cb 0.47 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 3dy3 h LEU 116 CO 0.04 0.56 -0.26 0.28 -0.62 0.00 0.00 178.44 178.44 3dy3 h SER 117 N 1.02 0.83 -0.76 1.25 0.02 -1.16 -2.67 113.55 112.07 3dy3 h SER 117 Ca 0.42 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3dy3 h SER 117 Cb 0.29 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3dy3 h SER 117 CO -0.17 1.05 0.41 0.44 -1.14 0.00 0.00 176.83 177.41 3dy3 h ASP 118 N 0.69 0.97 -0.32 3.07 3.45 0.10 -0.21 116.42 124.18 3dy3 h ASP 118 Ca 0.09 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3dy3 h ASP 118 Cb 0.79 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 3dy3 h ASP 118 CO 0.07 0.79 0.19 0.40 -1.57 0.00 0.00 179.24 179.12 3dy3 h ILE 119 N 1.09 1.11 -0.34 0.35 2.04 -0.93 -1.40 117.51 119.43 3dy3 h ILE 119 Ca 0.27 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3dy3 h ILE 119 Cb 0.05 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3dy3 h ILE 119 CO -0.04 0.11 0.21 0.11 0.00 0.00 0.00 178.15 178.54 3dy3 h LYS 120 N 0.41 0.42 -0.83 2.37 1.57 -1.11 -2.22 116.57 117.17 3dy3 h LYS 120 Ca 0.11 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 3dy3 h LYS 120 Cb 0.02 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3dy3 h LYS 120 CO -0.02 0.27 0.54 0.37 -0.57 0.00 0.00 179.45 180.05 3dy3 h GLN 121 N 0.43 0.61 -0.01 3.15 -0.00 -0.56 -2.44 115.11 116.29 3dy3 h GLN 121 Ca 0.13 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 3dy3 h GLN 121 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.32 3dy3 h GLN 121 CO -0.05 0.40 -0.04 0.78 0.00 0.00 0.00 178.83 179.93 3dy3 h GLY 122 N 0.63 -0.02 1.06 2.39 0.00 -0.62 -1.20 103.07 105.29 3dy3 h GLY 122 Ca 0.41 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3dy3 h GLY 122 CO -0.17 -0.04 0.00 -1.72 0.00 0.00 0.00 176.54 174.61 3dy3 n TYR 123 N -5.14 0.00 -0.04 5.60 4.02 -0.92 -0.39 117.16 120.28 3dy3 n TYR 123 Ca -0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.86 3dy3 n TYR 123 Cb 0.08 -0.03 -0.17 0.00 -0.02 0.00 0.00 39.34 39.20 3dy3 n TYR 123 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3dy3 n THR 124 N -1.03 0.50 0.08 -0.72 -1.04 -0.47 -4.47 114.28 107.14 3dy3 n THR 124 Ca 0.01 -0.63 0.03 0.00 -2.04 0.00 0.00 64.05 61.42 3dy3 n THR 124 Cb 0.01 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 3dy3 n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3dy3 n GLN 125 N -2.44 1.97 -3.68 -2.82 7.27 0.47 -4.72 117.38 113.44 3dy3 n GLN 125 Ca -0.15 -0.03 -0.10 0.00 0.07 0.00 0.00 57.00 56.80 3dy3 n GLN 125 Cb 0.78 -0.99 -0.03 0.00 2.41 0.00 0.00 30.24 32.41 3dy3 n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3dy3 s HIS 126 N -2.06 -0.26 0.00 3.69 -3.43 -0.90 -4.98 115.29 107.35 3dy3 s HIS 126 Ca -0.01 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 3dy3 s HIS 126 Cb 0.04 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 3dy3 s HIS 126 CO 0.22 -0.98 0.00 0.41 -2.00 0.00 0.00 174.74 172.38 3dy3 n GLY 127 N -0.38 1.18 2.32 -1.38 0.00 -1.26 -4.48 105.19 101.18 3dy3 n GLY 127 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3dy3 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy3 n GLY 128 N -2.00 0.60 3.83 -0.02 0.00 -1.26 -4.97 105.19 101.37 3dy3 n GLY 128 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3dy3 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dy3 s LEU 129 N -4.89 3.63 0.55 0.99 1.43 -1.26 -4.68 118.68 114.45 3dy3 s LEU 129 Ca 0.00 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3dy3 s LEU 129 Cb 0.00 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 3dy3 s LEU 129 CO 0.00 -0.26 1.02 0.00 0.23 0.00 0.00 176.35 177.35 3dy3 s ARG 130 N -3.94 3.64 0.98 1.70 1.70 -1.26 -4.77 118.95 117.00 3dy3 s ARG 130 Ca 0.38 1.11 -0.14 0.00 -0.47 0.00 0.00 55.73 56.61 3dy3 s ARG 130 Cb -0.06 -2.08 0.18 0.00 -0.57 0.00 0.00 34.95 32.41 3dy3 s ARG 130 CO 0.26 -0.54 1.15 -2.14 -1.08 0.00 0.00 175.30 172.96 3dy3 s PRO 131 N -3.99 0.56 -0.11 3.89 0.02 -1.26 -4.99 135.00 129.12 3dy3 s PRO 131 Ca 0.62 0.14 -0.25 0.00 0.02 0.00 0.00 61.00 61.53 3dy3 s PRO 131 Cb -0.13 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3dy3 s PRO 131 CO 0.33 -2.56 0.82 -0.06 -0.33 0.00 0.00 177.00 175.20 3dy3 s PHE 132 N -3.29 3.50 -1.51 6.54 0.40 -1.26 -4.94 117.98 117.42 3dy3 s PHE 132 Ca 0.67 1.32 -0.12 0.00 -0.60 0.00 0.00 56.93 58.20 3dy3 s PHE 132 Cb -0.13 -2.97 -0.00 0.00 0.51 0.00 0.00 43.02 40.43 3dy3 s PHE 132 CO 0.54 -0.11 2.53 0.41 0.70 0.00 0.00 175.22 179.29 3dy3 n GLY 133 N 3.27 4.41 3.03 4.36 0.00 -1.26 -4.44 105.19 114.56 3dy3 n GLY 133 Ca 0.03 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 3dy3 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dy3 s VAL 134 N 2.39 0.05 -0.03 1.61 1.01 -1.26 -0.56 120.40 123.60 3dy3 s VAL 134 Ca 0.57 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3dy3 s VAL 134 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.26 3dy3 s VAL 134 CO -0.07 -0.23 -0.13 -0.44 0.00 0.00 0.00 175.10 174.23 3dy3 s SER 135 N -0.75 1.67 0.13 3.32 0.01 -0.71 -2.83 113.70 114.56 3dy3 s SER 135 Ca -0.08 -0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.00 3dy3 s SER 135 Cb -0.05 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 3dy3 s SER 135 CO 0.00 0.11 -0.17 -0.36 0.41 0.00 0.00 173.24 173.23 3dy3 s PHE 136 N 0.12 2.54 -0.20 2.43 0.40 0.15 -1.76 117.98 121.66 3dy3 s PHE 136 Ca -0.03 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 3dy3 s PHE 136 Cb -0.10 -1.32 0.04 0.00 0.51 0.00 0.00 43.02 42.15 3dy3 s PHE 136 CO 0.01 0.42 -0.10 0.42 0.70 0.00 0.00 175.22 176.67 3dy3 s ILE 137 N -1.29 1.62 -0.20 0.64 1.01 -0.68 -1.33 121.20 120.98 3dy3 s ILE 137 Ca 0.19 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3dy3 s ILE 137 Cb -0.10 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3dy3 s ILE 137 CO 0.11 0.16 0.13 -0.31 0.00 0.00 0.00 174.94 175.03 3dy3 s TYR 138 N 1.40 3.41 -0.23 3.97 1.51 0.27 -0.53 117.35 127.16 3dy3 s TYR 138 Ca -0.01 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 3dy3 s TYR 138 Cb -0.16 -2.15 0.04 0.00 -0.11 0.00 0.00 41.96 39.58 3dy3 s TYR 138 CO -0.08 0.30 -0.15 0.00 -1.11 0.00 0.00 175.55 174.51 3dy3 s ALA 139 N 0.31 2.47 0.31 3.71 0.00 -0.06 -1.10 121.76 127.39 3dy3 s ALA 139 Ca 0.08 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 3dy3 s ALA 139 Cb -0.11 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.60 3dy3 s ALA 139 CO -0.02 -0.85 0.54 0.20 0.00 0.00 0.00 175.76 175.64 3dy3 s GLY 140 N 1.18 0.84 -0.06 0.00 0.00 -0.97 -0.97 107.32 107.34 3dy3 s GLY 140 Ca -0.03 -1.08 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 3dy3 s GLY 140 CO -0.08 -0.70 0.16 -0.47 0.00 0.00 0.00 173.10 172.01 3dy3 s TYR 141 N -3.36 -0.18 0.07 1.90 6.14 -0.47 -0.69 117.35 120.77 3dy3 s TYR 141 Ca 0.24 0.44 -0.10 0.00 0.64 0.00 0.00 57.07 58.29 3dy3 s TYR 141 Cb -0.01 0.05 0.01 0.00 0.42 0.00 0.00 41.96 42.42 3dy3 s TYR 141 CO 0.14 -0.09 0.23 0.16 0.64 0.00 0.00 175.55 176.62 3dy3 s ASP 142 N 0.18 0.03 0.00 4.32 1.47 -1.23 -4.81 116.67 116.64 3dy3 s ASP 142 Ca -0.01 -0.48 0.00 0.00 1.18 0.00 0.00 52.55 53.24 3dy3 s ASP 142 Cb -0.02 0.34 0.00 0.00 -0.34 0.00 0.00 42.92 42.90 3dy3 s ASP 142 CO -0.00 -0.68 0.35 -0.90 0.68 0.00 0.00 175.17 174.61 3dy3 n ASP 143 N 0.20 0.70 -0.01 2.11 5.75 -1.26 -0.30 116.55 123.75 3dy3 n ASP 143 Ca -0.17 -1.36 -0.01 0.00 -0.01 0.00 0.00 54.79 53.25 3dy3 n ASP 143 Cb 0.61 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 3dy3 n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3dy3 n ARG 144 N 0.17 2.02 0.00 0.11 0.63 -1.26 -4.80 116.66 113.53 3dy3 n ARG 144 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dy3 n ARG 144 Cb 0.17 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.05 3dy3 n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3dy3 n TYR 14 N -2.28 0.00 -4.81 -0.14 4.01 -1.20 -5.13 117.16 107.61 3dy3 n TYR 14 Ca -0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3dy3 n TYR 14 Cb 0.54 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3dy3 n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dy3 n GLY 145 N -0.08 0.95 3.63 2.72 0.00 0.59 -4.65 105.19 108.36 3dy3 n GLY 145 Ca 0.00 -0.79 -0.49 0.00 0.00 0.00 0.00 46.02 44.74 3dy3 n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dy3 n TYR 146 N 0.00 1.90 -4.12 1.61 4.01 -1.26 -3.50 117.16 115.80 3dy3 n TYR 146 Ca 0.00 0.45 -0.14 0.00 -0.16 0.00 0.00 57.90 58.05 3dy3 n TYR 146 Cb 0.00 -2.44 -0.11 0.00 -0.31 0.00 0.00 39.34 36.48 3dy3 n TYR 146 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dy3 s GLN 147 N 0.70 0.68 -0.09 -0.72 -0.21 0.13 -5.00 119.66 115.16 3dy3 s GLN 147 Ca 0.81 -0.92 -0.01 0.00 0.02 0.00 0.00 55.36 55.27 3dy3 s GLN 147 Cb -0.81 -0.46 0.03 0.00 1.00 0.00 0.00 33.01 32.77 3dy3 s GLN 147 CO 0.42 0.08 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.48 3dy3 s LEU 148 N -1.88 0.80 0.37 2.90 2.96 -1.26 -2.30 118.68 120.27 3dy3 s LEU 148 Ca -0.04 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3dy3 s LEU 148 Cb -0.08 -0.58 -0.07 0.00 0.50 0.00 0.00 46.19 45.96 3dy3 s LEU 148 CO 0.00 -0.17 0.04 -0.31 -1.32 0.00 0.00 176.35 174.60 3dy3 s TYR 149 N 1.87 2.21 -0.14 5.38 2.02 -0.26 -0.72 117.35 127.70 3dy3 s TYR 149 Ca 0.05 -0.84 -0.13 0.00 -0.37 0.00 0.00 57.07 55.79 3dy3 s TYR 149 Cb -0.12 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 39.97 3dy3 s TYR 149 CO -0.06 0.20 0.38 -0.08 -1.57 0.00 0.00 175.55 174.42 3dy3 s THR 150 N -3.03 -0.00 0.03 -0.71 -1.32 -0.46 -0.57 115.64 109.58 3dy3 s THR 150 Ca 0.35 0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.85 3dy3 s THR 150 Cb 0.09 -0.53 -0.02 0.00 -1.51 0.00 0.00 72.50 70.53 3dy3 s THR 150 CO 0.16 0.00 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.59 3dy3 s SER 151 N 0.29 0.48 0.38 8.08 1.04 -0.44 -1.91 113.70 121.62 3dy3 s SER 151 Ca -0.01 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.92 3dy3 s SER 151 Cb -0.03 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3dy3 s SER 151 CO -0.00 -0.29 0.18 0.54 0.98 0.00 0.00 173.24 174.65 3dy3 s ASN 152 N -1.61 2.36 0.51 7.02 2.20 -1.19 0.32 114.94 124.56 3dy3 s ASN 152 Ca -0.12 -1.71 0.36 0.00 -0.94 0.00 0.00 52.86 50.44 3dy3 s ASN 152 Cb -0.09 0.54 1.50 0.00 -2.00 0.00 0.00 41.25 41.20 3dy3 s ASN 152 CO -0.01 -0.99 1.74 -0.65 -2.94 0.00 0.00 177.10 174.25 3dy3 h PRO 153 N 1.92 0.07 -0.51 3.55 0.11 -1.74 -0.52 132.00 134.88 3dy3 h PRO 153 Ca -0.31 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3dy3 h PRO 153 Cb 1.26 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3dy3 h PRO 153 CO 0.49 0.05 0.24 0.66 -0.21 0.00 0.00 178.00 179.22 3dy3 h SER 154 N 0.07 0.65 0.00 -2.05 4.64 -1.90 -3.42 113.55 111.54 3dy3 h SER 154 Ca 0.67 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3dy3 h SER 154 Cb 2.46 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.38 3dy3 h SER 154 CO -0.10 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 3dy3 n GLY 155 N -1.18 1.04 3.88 -0.77 0.00 -0.20 -4.12 105.19 103.83 3dy3 n GLY 155 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3dy3 n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dy3 s ASN 156 N -2.05 6.59 0.04 1.61 3.04 -1.26 -4.54 114.94 118.37 3dy3 s ASN 156 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 52.86 53.64 3dy3 s ASN 156 Cb 0.00 -2.15 -0.03 0.00 -1.54 0.00 0.00 41.25 37.53 3dy3 s ASN 156 CO 0.00 0.10 -0.04 -0.72 -3.04 0.00 0.00 177.10 173.40 3dy3 s TYR 157 N -1.54 0.44 0.18 0.43 -0.85 -1.26 -3.15 117.35 111.61 3dy3 s TYR 157 Ca 0.37 -0.71 -0.09 0.00 -0.52 0.00 0.00 57.07 56.12 3dy3 s TYR 157 Cb -0.13 -0.30 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 3dy3 s TYR 157 CO 0.21 -0.23 0.31 0.95 -1.52 0.00 0.00 175.55 175.27 3dy3 s THR 158 N -2.33 0.05 0.09 -3.49 -4.23 -0.80 -4.97 115.64 99.96 3dy3 s THR 158 Ca -0.06 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 3dy3 s THR 158 Cb -0.04 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 3dy3 s THR 158 CO -0.04 -0.22 0.13 -0.83 -0.54 0.00 0.00 174.62 173.12 3dy3 s GLY 159 N -2.99 1.99 0.11 3.99 0.00 -1.26 -1.35 107.32 107.81 3dy3 s GLY 159 Ca 0.20 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 3dy3 s GLY 159 CO 0.02 -1.00 0.13 -0.98 0.00 0.00 0.00 173.10 171.28 3dy3 s TRP 160 N -1.49 0.50 -0.16 1.90 0.52 0.10 -4.98 118.94 115.33 3dy3 s TRP 160 Ca 0.31 -0.92 0.02 0.00 0.02 0.00 0.00 56.10 55.52 3dy3 s TRP 160 Cb -0.12 -0.25 -0.23 0.00 -1.15 0.00 0.00 33.47 31.72 3dy3 s TRP 160 CO 0.24 -0.55 0.20 1.63 0.02 0.00 0.00 176.95 178.48 3dy3 n LYS 161 N -0.08 0.70 -3.71 4.98 5.02 -1.26 -4.19 118.16 119.62 3dy3 n LYS 161 Ca -0.10 0.20 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 3dy3 n LYS 161 Cb 0.63 -1.64 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 3dy3 n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dy3 s ALA 162 N -2.55 -1.16 0.09 7.82 0.00 -1.26 0.07 121.76 124.78 3dy3 s ALA 162 Ca -0.22 1.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 3dy3 s ALA 162 Cb 0.07 -0.75 0.08 0.00 0.00 0.00 0.00 23.12 22.53 3dy3 s ALA 162 CO 0.73 -0.22 0.69 -1.50 0.00 0.00 0.00 175.76 175.46 3dy3 s ILE 163 N 0.21 0.00 0.04 0.00 1.10 0.08 -5.01 121.20 117.62 3dy3 s ILE 163 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 3dy3 s ILE 163 Cb -0.03 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.55 3dy3 s ILE 163 CO 0.01 0.00 -0.04 -0.94 -2.11 0.00 0.00 174.94 171.86 3dy3 s SER 164 N -2.49 0.49 0.05 4.50 1.04 -1.26 -0.27 113.70 115.76 3dy3 s SER 164 Ca 0.01 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 3dy3 s SER 164 Cb -0.01 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3dy3 s SER 164 CO -0.09 -0.40 -0.03 0.68 0.98 0.00 0.00 173.24 174.37 3dy3 s VAL 165 N -2.46 0.23 0.00 5.02 -7.23 0.21 -4.94 120.40 111.23 3dy3 s VAL 165 Ca -0.05 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3dy3 s VAL 165 Cb -0.03 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.53 3dy3 s VAL 165 CO -0.04 -0.94 0.00 0.61 -0.31 0.00 0.00 175.10 174.42 3dy3 n GLY 166 N 0.28 0.94 3.80 2.32 0.00 -1.26 -1.07 105.19 110.20 3dy3 n GLY 166 Ca -0.15 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 3dy3 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy3 s ALA 167 N -2.00 2.91 -1.47 4.61 0.00 0.24 -4.04 121.76 122.01 3dy3 s ALA 167 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 3dy3 s ALA 167 Cb 0.00 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.99 3dy3 s ALA 167 CO 0.00 -0.22 0.71 0.09 0.00 0.00 0.00 175.76 176.35 3dy3 n ASN 168 N -0.93 -4.04 -0.14 0.00 3.02 -1.26 -4.56 115.26 107.34 3dy3 n ASN 168 Ca 0.09 -0.65 -0.06 0.00 -0.03 0.00 0.00 54.58 53.92 3dy3 n ASN 168 Cb 0.53 -3.29 0.11 0.00 -0.61 0.00 0.00 39.78 36.52 3dy3 n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3dy3 h THR 169 N -1.44 1.25 -0.07 3.41 1.35 -1.91 -1.47 112.91 114.03 3dy3 h THR 169 Ca -0.52 -1.08 0.04 0.00 -0.55 0.00 0.00 66.41 64.30 3dy3 h THR 169 Cb 1.34 0.88 -0.05 0.00 -1.73 0.00 0.00 68.15 68.58 3dy3 h THR 169 CO 0.64 0.38 -0.29 -1.28 -0.25 0.00 0.00 175.52 174.73 3dy3 h SER 170 N 0.81 -0.87 0.34 5.36 0.87 -1.92 0.51 113.55 118.65 3dy3 h SER 170 Ca 0.15 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3dy3 h SER 170 Cb 0.51 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 3dy3 h SER 170 CO 0.03 -0.34 -0.18 0.00 -0.53 0.00 0.00 176.83 175.80 3dy3 h ALA 171 N 0.44 -0.48 -0.79 6.23 0.00 -1.91 -2.43 119.26 120.32 3dy3 h ALA 171 Ca 0.08 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3dy3 h ALA 171 Cb 0.51 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3dy3 h ALA 171 CO -0.29 -0.78 0.46 0.00 0.00 0.00 0.00 179.25 178.64 3dy3 h ALA 172 N 0.16 1.10 -0.81 0.00 0.00 -0.90 -1.83 119.26 116.99 3dy3 h ALA 172 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dy3 h ALA 172 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3dy3 h ALA 172 CO 0.06 0.14 0.41 0.37 0.00 0.00 0.00 179.25 180.23 3dy3 h GLN 173 N 0.81 1.15 0.04 0.00 5.75 0.12 -0.99 115.11 122.00 3dy3 h GLN 173 Ca 0.36 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3dy3 h GLN 173 Cb 0.26 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.59 3dy3 h GLN 173 CO -0.21 0.87 -0.02 1.15 -2.65 0.00 0.00 178.83 177.98 3dy3 h THR 174 N 1.13 1.04 -0.70 2.39 2.02 -0.90 -1.05 112.91 116.84 3dy3 h THR 174 Ca 0.28 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3dy3 h THR 174 Cb 0.09 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3dy3 h THR 174 CO -0.04 0.07 0.46 -0.07 0.37 0.00 0.00 175.52 176.31 3dy3 h LEU 175 N -0.17 0.70 -0.19 2.58 3.38 -1.08 -2.06 115.31 118.48 3dy3 h LEU 175 Ca -0.01 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3dy3 h LEU 175 Cb 0.15 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3dy3 h LEU 175 CO 0.01 0.47 -0.85 -0.07 0.09 0.00 0.00 178.44 178.09 3dy3 h LEU 176 N 0.80 0.77 0.00 1.67 3.38 -0.98 -2.91 115.31 118.05 3dy3 h LEU 176 Ca 0.29 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dy3 h LEU 176 Cb 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3dy3 h LEU 176 CO -0.09 1.33 0.00 1.67 0.09 0.00 0.00 178.44 181.44 3dy3 n GLN 177 N -3.87 0.09 -0.06 1.13 7.27 -0.42 -1.25 117.38 120.28 3dy3 n GLN 177 Ca -0.07 0.16 -0.09 0.00 0.07 0.00 0.00 57.00 57.07 3dy3 n GLN 177 Cb 0.78 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 31.78 3dy3 n GLN 177 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3dy3 n MET 178 N -1.42 0.66 0.00 3.69 1.56 -0.81 -4.59 117.12 116.21 3dy3 n MET 178 Ca 0.06 0.11 0.00 0.00 -0.27 0.00 0.00 57.70 57.60 3dy3 n MET 178 Cb 0.19 -1.63 0.00 0.00 2.15 0.00 0.00 33.22 33.93 3dy3 n MET 178 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3dy3 n ASP 179 N -2.86 1.24 -4.78 6.12 8.00 -1.11 -5.04 116.55 118.12 3dy3 n ASP 179 Ca -0.26 -1.40 -0.37 0.00 0.71 0.00 0.00 54.79 53.47 3dy3 n ASP 179 Cb 1.10 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.14 3dy3 n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3dy3 s TYR 180 N -0.40 3.73 -0.10 1.24 5.04 -0.38 -5.05 117.35 121.44 3dy3 s TYR 180 Ca 0.00 1.80 -0.05 0.00 -2.44 0.00 0.00 57.07 56.39 3dy3 s TYR 180 Cb 0.00 -2.93 0.05 0.00 0.35 0.00 0.00 41.96 39.43 3dy3 s TYR 180 CO 0.00 0.24 0.23 -1.59 -1.34 0.00 0.00 175.55 173.09 3dy3 s LYS 181 N -1.92 0.15 0.42 4.97 -2.85 -1.26 -5.00 119.74 114.24 3dy3 s LYS 181 Ca 0.49 0.56 0.27 0.00 -1.00 0.00 0.00 55.97 56.30 3dy3 s LYS 181 Cb -0.20 -0.13 1.41 0.00 -2.06 0.00 0.00 37.83 36.86 3dy3 s LYS 181 CO 0.25 -0.21 1.60 -0.44 0.10 0.00 0.00 175.35 176.65 3dy3 h ASP 182 N 7.60 0.27 0.00 0.03 3.45 -1.96 0.36 116.42 126.17 3dy3 h ASP 182 Ca -0.32 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.32 3dy3 h ASP 182 Cb 1.14 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 3dy3 h ASP 182 CO 0.30 -0.28 0.00 -0.90 -1.57 0.00 0.00 179.24 176.79 3dy3 n ASP 183 N -4.88 0.00 -4.61 6.45 5.68 -1.26 -4.61 116.55 113.32 3dy3 n ASP 183 Ca 0.38 -1.47 -0.40 0.00 -0.50 0.00 0.00 54.79 52.81 3dy3 n ASP 183 Cb 1.42 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 41.43 3dy3 n ASP 183 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3dy3 n MET 184 N -0.75 1.17 -4.16 0.11 2.81 0.13 -4.87 117.12 111.56 3dy3 n MET 184 Ca 0.12 0.43 -0.31 0.00 -1.81 0.00 0.00 57.70 56.13 3dy3 n MET 184 Cb 0.05 -2.11 -0.08 0.00 -0.71 0.00 0.00 33.22 30.38 3dy3 n MET 184 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3dy3 s LYS 185 N -2.34 2.62 0.14 0.03 2.36 -1.26 -2.43 119.74 118.86 3dy3 s LYS 185 Ca 0.68 -0.78 -0.16 0.00 -2.55 0.00 0.00 55.97 53.17 3dy3 s LYS 185 Cb -0.49 -2.58 0.09 0.00 -1.05 0.00 0.00 37.83 33.80 3dy3 s LYS 185 CO 0.53 0.56 1.07 0.28 1.55 0.00 0.00 175.35 179.34 3dy3 n VAL 186 N 0.75 -0.40 0.12 4.02 0.31 -1.26 0.10 118.33 121.96 3dy3 n VAL 186 Ca -0.11 1.64 0.08 0.00 -0.01 0.00 0.00 64.34 65.94 3dy3 n VAL 186 Cb 0.52 -2.12 0.55 0.00 -0.91 0.00 0.00 33.84 31.88 3dy3 n VAL 186 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3dy3 h ASP 187 N 0.00 0.20 -0.32 4.52 5.19 -1.98 0.33 116.42 124.36 3dy3 h ASP 187 Ca 0.19 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.53 3dy3 h ASP 187 Cb 0.37 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3dy3 h ASP 187 CO -0.68 0.14 -0.06 0.44 -3.12 0.00 0.00 179.24 175.97 3dy3 h ASP 188 N 0.24 0.61 -0.78 6.45 3.45 0.26 -2.17 116.42 124.47 3dy3 h ASP 188 Ca 0.10 -0.35 -0.05 0.00 0.43 0.00 0.00 57.03 57.16 3dy3 h ASP 188 Cb 0.10 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.67 3dy3 h ASP 188 CO -0.02 0.82 0.31 0.00 -1.57 0.00 0.00 179.24 178.78 3dy3 h ALA 189 N 0.81 1.02 -0.40 3.45 0.00 0.12 -0.44 119.26 123.82 3dy3 h ALA 189 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3dy3 h ALA 189 Cb 0.54 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3dy3 h ALA 189 CO 0.03 0.65 0.23 0.82 0.00 0.00 0.00 179.25 180.98 3dy3 h ILE 190 N 1.14 1.04 -0.49 0.00 2.04 -0.28 -0.63 117.51 120.33 3dy3 h ILE 190 Ca 0.26 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 3dy3 h ILE 190 Cb 0.22 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3dy3 h ILE 190 CO -0.02 0.09 0.03 -0.08 0.00 0.00 0.00 178.15 178.16 3dy3 h GLU 191 N 0.47 0.84 -0.67 2.37 4.81 -1.06 -2.50 114.58 118.85 3dy3 h GLU 191 Ca 0.16 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3dy3 h GLU 191 Cb 0.01 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3dy3 h GLU 191 CO -0.08 0.87 0.43 1.25 -0.73 0.00 0.00 179.01 180.76 3dy3 h LEU 192 N 0.71 0.73 0.37 1.64 6.46 -0.72 -1.82 115.31 122.68 3dy3 h LEU 192 Ca 0.14 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3dy3 h LEU 192 Cb 0.47 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3dy3 h LEU 192 CO 0.02 0.52 -0.24 0.00 -0.62 0.00 0.00 178.44 178.12 3dy3 h ALA 193 N 1.26 -0.59 -0.90 1.25 0.00 -0.95 -0.54 119.26 118.80 3dy3 h ALA 193 Ca 0.26 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dy3 h ALA 193 Cb -0.05 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3dy3 h ALA 193 CO -0.08 -0.84 0.59 -0.07 0.00 0.00 0.00 179.25 178.85 3dy3 h LEU 194 N -0.59 0.98 -0.09 0.00 3.38 -1.32 -1.72 115.31 115.94 3dy3 h LEU 194 Ca -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dy3 h LEU 194 Cb 0.50 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3dy3 h LEU 194 CO 0.03 0.67 0.03 0.11 0.09 0.00 0.00 178.44 179.36 3dy3 h LYS 195 N 1.13 0.14 -0.12 1.13 1.79 -1.10 -0.22 116.57 119.32 3dy3 h LYS 195 Ca 0.36 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.83 3dy3 h LYS 195 Cb 0.02 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 3dy3 h LYS 195 CO -0.11 0.30 -0.10 1.15 -1.08 0.00 0.00 179.45 179.62 3dy3 h THR 196 N -0.05 0.71 -0.32 -0.16 2.02 -0.67 -1.30 112.91 113.15 3dy3 h THR 196 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 3dy3 h THR 196 Cb 0.22 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3dy3 h THR 196 CO -0.00 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 175.96 3dy3 h LEU 197 N -0.11 0.20 -2.00 2.58 3.38 -1.29 -1.37 115.31 116.70 3dy3 h LEU 197 Ca 0.08 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.24 3dy3 h LEU 197 Cb 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3dy3 h LEU 197 CO -0.19 0.15 0.42 -1.28 0.09 0.00 0.00 178.44 177.63 3dy3 h SER 198 N 0.31 0.00 0.75 -0.43 0.87 -0.35 -0.53 113.55 114.17 3dy3 h SER 198 Ca 0.14 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3dy3 h SER 198 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3dy3 h SER 198 CO -0.11 0.00 -1.30 0.29 -0.53 0.00 0.00 176.83 175.18 3dy3 n LYS 199 N -4.36 0.62 0.01 2.24 5.02 -0.55 -4.23 118.16 116.90 3dy3 n LYS 199 Ca 0.11 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.62 3dy3 n LYS 199 Cb 0.66 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 3dy3 n LYS 199 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dy3 n THR 200 N -2.70 0.04 -1.25 -0.18 -2.24 -0.60 -5.00 114.28 102.36 3dy3 n THR 200 Ca -0.05 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 3dy3 n THR 200 Cb 0.67 0.57 0.08 0.00 -2.10 0.00 0.00 70.33 69.55 3dy3 n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3dy3 n THR 202 N -1.64 2.01 0.79 4.28 -1.04 -0.31 -4.90 114.28 113.47 3dy3 n THR 202 Ca 0.04 -0.36 0.10 0.00 -2.04 0.00 0.00 64.05 61.78 3dy3 n THR 202 Cb 0.37 -0.88 -0.12 0.00 -1.82 0.00 0.00 70.33 67.88 3dy3 n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3dy3 n ASP 203 N -1.02 0.84 -4.80 8.00 8.00 -1.26 -4.97 116.55 121.35 3dy3 n ASP 203 Ca 0.11 -0.82 -0.29 0.00 0.71 0.00 0.00 54.79 54.50 3dy3 n ASP 203 Cb 0.50 1.14 0.12 0.00 -0.02 0.00 0.00 41.12 42.86 3dy3 n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3dy3 s SER 204 N -3.11 3.95 0.00 -2.24 0.01 -1.26 -5.04 113.70 106.02 3dy3 s SER 204 Ca 0.05 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.15 3dy3 s SER 204 Cb 0.15 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 65.04 3dy3 s SER 204 CO 0.82 -2.26 0.46 -1.20 0.41 0.00 0.00 173.24 171.48 3dy3 n SER 20 N -3.56 0.00 -4.74 2.44 7.64 -1.26 -4.91 113.62 109.23 3dy3 n SER 20 Ca 0.08 0.59 -0.24 0.00 1.01 0.00 0.00 58.87 60.30 3dy3 n SER 20 Cb 0.60 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.43 3dy3 n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dy3 s ALA 20 N -2.94 3.59 -0.63 -0.43 0.00 -1.26 -5.08 121.76 115.01 3dy3 s ALA 20 Ca 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 51.96 49.80 3dy3 s ALA 20 Cb 0.00 -0.41 0.16 0.00 0.00 0.00 0.00 23.12 22.87 3dy3 s ALA 20 CO 0.00 -0.16 0.48 -1.17 0.00 0.00 0.00 175.76 174.91 3dy3 s LEU 205 N -3.91 5.66 0.38 0.00 2.96 -1.26 -5.06 118.68 117.44 3dy3 s LEU 205 Ca 0.41 -2.61 0.02 0.00 -0.22 0.00 0.00 54.13 51.73 3dy3 s LEU 205 Cb 0.03 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3dy3 s LEU 205 CO 0.23 -0.48 0.57 0.42 -1.32 0.00 0.00 176.35 175.77 3dy3 s THR 206 N 0.31 4.48 0.32 3.68 -4.23 -1.26 -4.99 115.64 113.95 3dy3 s THR 206 Ca 0.15 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 3dy3 s THR 206 Cb -0.19 -3.62 0.20 0.00 1.34 0.00 0.00 72.50 70.22 3dy3 s THR 206 CO -0.04 -0.38 1.91 0.10 -0.54 0.00 0.00 174.62 175.67 3dy3 h TYR 207 N 0.66 0.75 0.00 3.99 -0.00 -1.92 -2.65 116.97 117.81 3dy3 h TYR 207 Ca -0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.22 3dy3 h TYR 207 Cb 1.24 -0.23 0.00 0.00 -0.00 0.00 0.00 36.73 37.74 3dy3 h TYR 207 CO 0.47 0.58 0.00 -0.40 -0.00 0.00 0.00 178.16 178.81 3dy3 n ASP 208 N -4.34 0.00 -0.12 0.10 5.75 -1.26 -0.87 116.55 115.81 3dy3 n ASP 208 Ca 0.04 -0.12 0.06 0.00 -0.01 0.00 0.00 54.79 54.76 3dy3 n ASP 208 Cb 0.15 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.33 3dy3 n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dy3 n ARG 209 N -1.00 1.34 -4.16 0.11 1.74 -1.00 -4.94 116.66 108.75 3dy3 n ARG 209 Ca 0.03 -2.00 -0.17 0.00 -0.77 0.00 0.00 57.85 54.94 3dy3 n ARG 209 Cb 0.01 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 3dy3 n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dy3 s LEU 210 N -1.89 2.31 -0.03 0.55 1.43 -0.05 -0.06 118.68 120.95 3dy3 s LEU 210 Ca 0.19 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3dy3 s LEU 210 Cb 0.16 -0.43 -0.00 0.00 0.03 0.00 0.00 46.19 45.96 3dy3 s LEU 210 CO 0.02 -0.14 -0.12 -1.61 0.23 0.00 0.00 176.35 174.73 3dy3 s GLU 211 N -2.03 1.20 -0.00 1.70 2.02 -0.55 -4.90 118.70 116.14 3dy3 s GLU 211 Ca -0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 3dy3 s GLU 211 Cb -0.08 -1.10 -0.00 0.00 0.10 0.00 0.00 34.13 33.05 3dy3 s GLU 211 CO 0.02 0.18 0.01 0.12 0.02 0.00 0.00 175.26 175.61 3dy3 s PHE 212 N 0.06 0.04 -0.06 1.61 5.36 -1.26 -1.68 117.98 122.05 3dy3 s PHE 212 Ca -0.02 -0.07 -0.15 0.00 -0.96 0.00 0.00 56.93 55.74 3dy3 s PHE 212 Cb -0.09 -0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.59 3dy3 s PHE 212 CO 0.01 -0.06 0.34 0.00 -1.46 0.00 0.00 175.22 174.05 3dy3 s ALA 213 N -0.33 -0.86 -0.01 11.12 0.00 -0.28 0.08 121.76 131.49 3dy3 s ALA 213 Ca -0.04 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3dy3 s ALA 213 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3dy3 s ALA 213 CO -0.00 -0.23 -0.05 0.95 0.00 0.00 0.00 175.76 176.42 3dy3 s THR 214 N -0.80 0.40 -0.59 0.00 -4.23 -0.62 -0.68 115.64 109.11 3dy3 s THR 214 Ca -0.09 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 3dy3 s THR 214 Cb -0.04 -0.35 0.15 0.00 1.34 0.00 0.00 72.50 73.60 3dy3 s THR 214 CO 0.03 0.12 0.36 -0.63 -0.54 0.00 0.00 174.62 173.96 3dy3 s ILE 215 N -0.06 2.99 0.48 2.99 1.01 -0.52 -1.68 121.20 126.42 3dy3 s ILE 215 Ca 0.01 -3.40 0.07 0.00 0.00 0.00 0.00 60.65 57.33 3dy3 s ILE 215 Cb -0.03 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.44 3dy3 s ILE 215 CO -0.00 -0.86 0.39 -0.13 0.00 0.00 0.00 174.94 174.34 3dy3 s ARG 216 N -0.46 2.37 -0.73 2.79 0.52 -0.94 -2.02 118.95 120.48 3dy3 s ARG 216 Ca 0.19 -1.77 -0.02 0.00 -0.52 0.00 0.00 55.73 53.61 3dy3 s ARG 216 Cb -0.21 -2.24 0.18 0.00 0.52 0.00 0.00 34.95 33.21 3dy3 s ARG 216 CO -0.04 -0.40 0.57 0.21 0.02 0.00 0.00 175.30 175.67 3dy3 s LYS 21 N -4.20 2.82 -0.93 3.54 2.20 -1.25 0.50 119.74 122.42 3dy3 s LYS 21 Ca 0.43 -2.89 -0.17 0.00 -0.36 0.00 0.00 55.97 52.98 3dy3 s LYS 21 Cb -0.02 -3.79 -0.27 0.00 -1.51 0.00 0.00 37.83 32.24 3dy3 s LYS 21 CO 0.25 -1.22 2.32 0.41 -0.36 0.00 0.00 175.35 176.75 3dy3 n GLY 21 N 2.91 -0.40 0.23 5.54 0.00 -1.19 -4.73 105.19 107.55 3dy3 n GLY 21 Ca 0.14 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.52 3dy3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy3 n ALA 217 N 9.36 0.20 -1.65 4.61 0.00 -1.26 -2.07 120.51 129.71 3dy3 n ALA 217 Ca 0.62 0.70 -0.42 0.00 0.00 0.00 0.00 53.44 54.35 3dy3 n ALA 217 Cb 0.19 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 3dy3 n ALA 217 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3dy3 n ASN 218 N -4.99 3.49 0.00 0.00 4.05 -1.26 -3.59 115.26 112.96 3dy3 n ASN 218 Ca 0.12 -2.79 0.00 0.00 0.45 0.00 0.00 54.58 52.36 3dy3 n ASN 218 Cb 0.37 -1.49 0.00 0.00 1.23 0.00 0.00 39.78 39.88 3dy3 n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3dy3 n ASP 21 N 7.25 0.00 0.00 1.20 2.03 -0.88 -4.99 116.55 121.16 3dy3 n ASP 21 Ca 0.51 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.82 3dy3 n ASP 21 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3dy3 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dy3 n GLY 21 N 0.00 0.65 3.50 0.27 0.00 -1.22 -5.09 105.19 103.30 3dy3 n GLY 21 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3dy3 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dy3 s GLU 219 N -0.67 1.75 0.34 1.61 2.12 -1.26 -5.06 118.70 117.53 3dy3 s GLU 219 Ca 0.00 -1.80 -0.12 0.00 0.36 0.00 0.00 54.97 53.41 3dy3 s GLU 219 Cb 0.00 -1.77 -0.07 0.00 0.26 0.00 0.00 34.13 32.54 3dy3 s GLU 219 CO 0.00 0.28 0.71 0.08 -0.54 0.00 0.00 175.26 175.78 3dy3 s VAL 21 N -2.53 4.79 -0.02 3.70 1.01 -1.26 -3.18 120.40 122.91 3dy3 s VAL 21 Ca 0.31 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3dy3 s VAL 21 Cb -0.03 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.71 3dy3 s VAL 21 CO 0.16 -0.32 0.02 -0.47 0.00 0.00 0.00 175.10 174.49 3dy3 s TYR 220 N -2.12 0.07 0.11 5.22 6.14 0.18 -4.90 117.35 122.05 3dy3 s TYR 220 Ca 0.51 0.10 -0.11 0.00 0.64 0.00 0.00 57.07 58.21 3dy3 s TYR 220 Cb -0.10 -0.25 -0.06 0.00 0.42 0.00 0.00 41.96 41.97 3dy3 s TYR 220 CO 0.25 -0.09 0.45 -0.65 0.64 0.00 0.00 175.55 176.15 3dy3 s GLN 221 N 0.98 3.82 -0.21 4.97 -0.21 -1.26 -2.20 119.66 125.54 3dy3 s GLN 221 Ca -0.08 0.26 -0.04 0.00 0.02 0.00 0.00 55.36 55.52 3dy3 s GLN 221 Cb -0.12 -2.95 0.11 0.00 1.00 0.00 0.00 33.01 31.05 3dy3 s GLN 221 CO -0.03 0.52 0.31 0.21 -2.12 0.00 0.00 175.29 174.18 3dy3 s LYS 222 N -2.02 0.27 -0.51 2.91 2.20 -0.67 -4.99 119.74 116.93 3dy3 s LYS 222 Ca 0.36 0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 56.28 3dy3 s LYS 222 Cb -0.14 -0.59 0.07 0.00 -1.51 0.00 0.00 37.83 35.66 3dy3 s LYS 222 CO 0.19 -0.56 0.58 0.42 -0.36 0.00 0.00 175.35 175.61 3dy3 s ILE 223 N 2.46 4.96 0.38 5.43 1.01 -1.26 -1.59 121.20 132.58 3dy3 s ILE 223 Ca 0.08 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3dy3 s ILE 223 Cb -0.15 -4.29 -0.12 0.00 0.01 0.00 0.00 42.46 37.91 3dy3 s ILE 223 CO -0.13 -0.80 0.82 0.49 0.00 0.00 0.00 174.94 175.32 3dy3 n PHE 224 N 5.93 0.53 -3.05 3.97 0.99 0.11 -4.97 117.46 120.97 3dy3 n PHE 224 Ca -0.09 0.63 -0.24 0.00 -0.00 0.00 0.00 57.45 57.76 3dy3 n PHE 224 Cb 0.44 -2.14 0.00 0.00 -1.00 0.00 0.00 39.48 36.79 3dy3 n PHE 224 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dy3 s LYS 225 N -1.70 3.24 0.27 -1.08 1.02 -1.26 -4.60 119.74 115.62 3dy3 s LYS 225 Ca 0.62 -0.35 -0.06 0.00 0.02 0.00 0.00 55.97 56.20 3dy3 s LYS 225 Cb -0.63 -2.56 0.50 0.00 -0.52 0.00 0.00 37.83 34.62 3dy3 s LYS 225 CO 0.58 -0.15 1.60 -1.35 -0.92 0.00 0.00 175.35 175.11 3dy3 h PRO 226 N 0.47 0.04 -0.01 -1.68 0.11 -1.94 0.18 132.00 129.16 3dy3 h PRO 226 Ca -0.47 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3dy3 h PRO 226 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3dy3 h PRO 226 CO 0.59 0.02 -0.54 0.37 -0.21 0.00 0.00 178.00 178.23 3dy3 h GLN 227 N 0.04 0.03 -0.15 1.05 5.75 -1.98 -1.37 115.11 118.49 3dy3 h GLN 227 Ca 0.46 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.83 3dy3 h GLN 227 Cb 0.82 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 3dy3 h GLN 227 CO -0.83 0.57 -0.42 0.93 -2.65 0.00 0.00 178.83 176.43 3dy3 h GLU 228 N 0.03 0.34 -0.00 1.69 5.08 -1.09 -0.35 114.58 120.27 3dy3 h GLU 228 Ca -0.00 -0.17 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 3dy3 h GLU 228 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3dy3 h GLU 228 CO 0.07 0.70 -0.91 0.82 -1.00 0.00 0.00 179.01 178.69 3dy3 h ILE 229 N 0.28 1.43 -0.67 3.13 2.04 -0.96 -2.40 117.51 120.37 3dy3 h ILE 229 Ca 0.02 -2.50 -0.06 0.00 1.00 0.00 0.00 64.86 63.32 3dy3 h ILE 229 Cb 0.86 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.33 3dy3 h ILE 229 CO 0.07 0.74 0.16 0.50 0.00 0.00 0.00 178.15 179.62 3dy3 h LYS 230 N 0.19 1.07 0.47 2.37 3.64 -0.85 -1.45 116.57 122.01 3dy3 h LYS 230 Ca -0.06 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3dy3 h LYS 230 Cb 1.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 3dy3 h LYS 230 CO 0.15 0.95 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.62 3dy3 h ASP 231 N 0.99 -0.53 -1.18 4.20 3.45 -1.04 -2.74 116.42 119.57 3dy3 h ASP 231 Ca 0.21 0.02 0.34 0.00 0.43 0.00 0.00 57.03 58.03 3dy3 h ASP 231 Cb 0.36 0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.22 3dy3 h ASP 231 CO 0.00 -0.28 0.85 -0.29 -1.57 0.00 0.00 179.24 177.95 3dy3 h ILE 232 N -0.83 0.41 -0.31 0.35 6.09 -1.46 0.39 117.51 122.15 3dy3 h ILE 232 Ca -0.06 -0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.27 3dy3 h ILE 232 Cb 0.48 0.40 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 3dy3 h ILE 232 CO 0.11 0.00 -0.44 0.25 -3.07 0.00 0.00 178.15 174.99 3dy3 h LEU 233 N 0.00 0.85 -0.14 2.19 5.85 -1.15 -2.30 115.31 120.61 3dy3 h LEU 233 Ca 0.56 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3dy3 h LEU 233 Cb 2.26 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 43.05 3dy3 h LEU 233 CO -0.01 1.17 -0.19 0.58 -0.34 0.00 0.00 178.44 179.65 3dy3 h VAL 234 N 0.63 1.36 -0.00 1.05 2.07 0.05 -0.96 116.25 120.44 3dy3 h VAL 234 Ca 0.04 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3dy3 h VAL 234 Cb 1.01 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3dy3 h VAL 234 CO 0.10 0.41 -0.01 0.11 0.02 0.00 0.00 177.57 178.20 3dy3 h LYS 235 N -0.00 -0.01 0.00 1.57 1.79 -1.33 -1.03 116.57 117.56 3dy3 h LYS 235 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3dy3 h LYS 235 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3dy3 h LYS 235 CO 0.04 -0.01 0.00 0.25 -1.08 0.00 0.00 179.45 178.66 3dy3 n THR 236 N -5.10 0.00 -2.53 -0.16 -2.24 -0.87 -4.80 114.28 98.59 3dy3 n THR 236 Ca -0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 3dy3 n THR 236 Cb 0.04 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 3dy3 n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dy3 n GLY 237 N -0.46 0.66 0.00 3.38 0.00 -0.39 -4.94 105.19 103.45 3dy3 n GLY 237 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3dy3 n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dy3 n ILE 238 N -2.46 0.00 -0.04 -0.61 5.41 -0.45 -5.05 119.36 116.16 3dy3 n ILE 238 Ca -0.01 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3dy3 n ILE 238 Cb 0.51 1.06 0.00 0.00 -0.71 0.00 0.00 39.64 40.50 3dy3 n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96