#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwm s VAL 3 N 0.00 3.77 -0.06 3.44 -7.23 -0.56 -2.41 120.40 117.36 3dwm s VAL 3 Ca 0.00 -1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.05 3dwm s VAL 3 Cb 0.00 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3dwm s VAL 3 CO 0.00 0.14 0.19 -0.89 -0.31 0.00 0.00 175.10 174.23 3dwm s THR 4 N -1.25 5.43 -0.10 5.32 2.01 -1.22 -0.05 115.64 125.77 3dwm s THR 4 Ca 0.24 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3dwm s THR 4 Cb -0.11 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.92 3dwm s THR 4 CO 0.16 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.75 3dwm s VAL 5 N -1.17 1.34 -0.15 3.82 1.01 0.26 -1.21 120.40 124.30 3dwm s VAL 5 Ca 0.21 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3dwm s VAL 5 Cb -0.13 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3dwm s VAL 5 CO 0.11 0.41 0.46 -0.55 0.00 0.00 0.00 175.10 175.53 3dwm s SER 6 N 1.05 6.60 -0.17 3.32 0.15 -0.08 -1.05 113.70 123.52 3dwm s SER 6 Ca -0.06 0.71 -0.04 0.00 0.70 0.00 0.00 55.95 57.26 3dwm s SER 6 Cb -0.15 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 3dwm s SER 6 CO -0.02 -0.04 -0.02 -0.63 1.20 0.00 0.00 173.24 173.73 3dwm s ILE 7 N 0.93 3.96 0.66 6.45 -1.09 -0.33 -2.48 121.20 129.30 3dwm s ILE 7 Ca 0.24 -0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 3dwm s ILE 7 Cb -0.15 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 3dwm s ILE 7 CO 0.09 0.47 1.06 -2.16 -1.23 0.00 0.00 174.94 173.17 3dwm s PRO 8 N 0.61 3.23 0.16 2.79 0.04 -1.24 -4.75 135.00 135.84 3dwm s PRO 8 Ca -0.01 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.45 3dwm s PRO 8 Cb -0.14 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.41 3dwm s PRO 8 CO 0.02 -0.81 1.61 1.79 0.04 0.00 0.00 177.00 179.65 3dwm h THR 9 N -0.49 0.28 -0.96 1.26 1.35 -1.96 -1.27 112.91 111.11 3dwm h THR 9 Ca -0.44 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 65.71 3dwm h THR 9 Cb 1.22 0.28 -0.15 0.00 -1.73 0.00 0.00 68.15 67.77 3dwm h THR 9 CO 0.62 0.00 0.43 -0.29 -0.25 0.00 0.00 175.52 176.04 3dwm h ILE 10 N -0.25 0.27 -0.01 6.82 2.10 -2.01 -0.64 117.51 123.80 3dwm h ILE 10 Ca 0.17 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 66.02 3dwm h ILE 10 Cb 0.52 -0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 3dwm h ILE 10 CO -0.50 0.05 -0.08 0.18 -1.08 0.00 0.00 178.15 176.72 3dwm n LEU 11 N -5.14 0.82 0.32 2.19 4.77 -0.50 -4.33 117.00 115.12 3dwm n LEU 11 Ca 0.28 -0.20 0.19 0.00 -0.03 0.00 0.00 56.01 56.26 3dwm n LEU 11 Cb 0.90 -0.09 1.05 0.00 -2.33 0.00 0.00 43.42 42.95 3dwm n LEU 11 CO 0.07 0.14 1.14 0.03 -1.33 0.00 0.00 177.39 177.44 3dwm h ARG 12 N 1.15 0.00 -0.72 3.23 3.08 -0.90 -2.02 114.38 118.20 3dwm h ARG 12 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3dwm h ARG 12 Cb 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 3dwm h ARG 12 CO 0.00 0.01 0.38 -1.35 -1.07 0.00 0.00 179.97 177.94 3dwm h PRO 13 N 0.00 0.64 0.00 0.04 0.11 -1.78 1.10 132.00 132.11 3dwm h PRO 13 Ca -0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3dwm h PRO 13 Cb 0.07 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3dwm h PRO 13 CO 0.00 0.42 -0.02 0.45 -0.21 0.00 0.00 178.00 178.65 3dwm h HIS 14 N 0.66 0.00 -0.40 0.65 3.86 -1.69 -2.10 115.15 116.13 3dwm h HIS 14 Ca 0.34 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.41 3dwm h HIS 14 Cb 0.32 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.70 3dwm h HIS 14 CO -0.09 0.02 0.04 0.25 0.86 0.00 0.00 177.93 179.00 3dwm n THR 15 N -3.20 2.54 -2.93 2.45 -2.24 -0.43 -4.39 114.28 106.07 3dwm n THR 15 Ca -0.02 -2.29 -0.22 0.00 -2.27 0.00 0.00 64.05 59.25 3dwm n THR 15 Cb 0.15 -0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.09 3dwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwm n GLY 16 N -0.84 -0.52 2.43 3.38 0.00 -0.79 -1.02 105.19 107.83 3dwm n GLY 16 Ca 0.32 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 3dwm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwm n GLY 17 N -1.41 0.35 3.72 -0.02 0.00 0.37 -5.00 105.19 103.19 3dwm n GLY 17 Ca -0.13 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3dwm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwm s GLN 18 N -1.05 4.38 0.50 1.61 -0.21 -0.19 -4.91 119.66 119.78 3dwm s GLN 18 Ca 0.00 1.93 0.27 0.00 0.02 0.00 0.00 55.36 57.58 3dwm s GLN 18 Cb 0.00 -3.29 1.26 0.00 1.00 0.00 0.00 33.01 31.98 3dwm s GLN 18 CO 0.00 -0.34 1.98 1.57 -2.12 0.00 0.00 175.29 176.38 3dwm h LYS 19 N 6.69 0.00 -2.35 2.91 5.09 -1.90 -3.44 116.57 123.57 3dwm h LYS 19 Ca -0.42 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.26 3dwm h LYS 19 Cb 1.21 0.00 -0.23 0.00 0.10 0.00 0.00 32.23 33.31 3dwm h LYS 19 CO 0.83 0.15 -0.10 0.45 -2.09 0.00 0.00 179.45 178.70 3dwm s SER 20 N -6.10 -0.66 0.06 7.07 0.15 -1.26 -1.19 113.70 111.76 3dwm s SER 20 Ca -0.01 1.17 -0.03 0.00 0.70 0.00 0.00 55.95 57.78 3dwm s SER 20 Cb 0.12 1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 3dwm s SER 20 CO 0.60 -0.21 0.02 0.68 1.20 0.00 0.00 173.24 175.53 3dwm s VAL 21 N 0.94 0.20 0.13 4.45 -7.23 -0.21 -4.95 120.40 113.74 3dwm s VAL 21 Ca -0.05 -1.67 -0.19 0.00 -1.81 0.00 0.00 61.98 58.26 3dwm s VAL 21 Cb -0.05 -1.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 3dwm s VAL 21 CO -0.08 -0.91 0.62 -0.55 -0.31 0.00 0.00 175.10 173.87 3dwm s SER 22 N -2.91 7.05 0.00 4.85 0.15 -1.26 0.90 113.70 122.48 3dwm s SER 22 Ca 0.07 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.02 3dwm s SER 22 Cb 0.07 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 3dwm s SER 22 CO -0.10 0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.52 3dwm n ALA 23 N 1.28 0.00 -3.57 5.45 0.00 0.93 -4.90 120.51 119.69 3dwm n ALA 23 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 3dwm n ALA 23 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 3dwm n ALA 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dwm s SER 24 N -0.58 -0.51 0.00 0.00 1.04 -1.26 -1.50 113.70 110.89 3dwm s SER 24 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3dwm s SER 24 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3dwm s SER 24 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3dwm n GLY 25 N 1.20 1.81 0.17 7.32 0.00 -1.26 -4.02 105.19 110.41 3dwm n GLY 25 Ca -0.14 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.24 3dwm n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dwm h ASP 26 N 0.00 0.00 -3.60 1.61 3.45 -1.91 -3.43 116.42 112.54 3dwm h ASP 26 Ca 0.00 0.00 -0.41 0.00 0.43 0.00 0.00 57.03 57.05 3dwm h ASP 26 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 3dwm h ASP 26 CO 0.00 0.12 -0.67 0.42 -1.57 0.00 0.00 179.24 177.54 3dwm s THR 27 N -3.19 1.24 0.27 0.35 -4.23 -1.26 0.63 115.64 109.46 3dwm s THR 27 Ca 0.04 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3dwm s THR 27 Cb 0.07 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.87 3dwm s THR 27 CO 0.72 -0.38 1.82 0.25 -0.54 0.00 0.00 174.62 176.49 3dwm h LEU 28 N 2.46 0.84 -0.53 4.79 5.85 -1.06 0.46 115.31 128.10 3dwm h LEU 28 Ca -0.39 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.49 3dwm h LEU 28 Cb 1.22 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 3dwm h LEU 28 CO 0.65 0.43 0.02 1.23 -0.34 0.00 0.00 178.44 180.43 3dwm h GLY 29 N 0.91 0.58 1.88 3.75 0.00 -1.14 0.58 103.07 109.62 3dwm h GLY 29 Ca 0.48 0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.74 3dwm h GLY 29 CO -0.28 -0.14 -0.57 0.00 0.00 0.00 0.00 176.54 175.55 3dwm h ALA 30 N 1.47 0.98 -0.12 3.60 0.00 -1.22 -1.95 119.26 122.02 3dwm h ALA 30 Ca 0.27 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3dwm h ALA 30 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dwm h ALA 30 CO -0.43 0.71 -0.40 0.28 0.00 0.00 0.00 179.25 179.40 3dwm h VAL 31 N 0.10 1.37 -0.25 0.00 2.07 -0.92 -2.55 116.25 116.07 3dwm h VAL 31 Ca -0.00 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 65.85 3dwm h VAL 31 Cb 1.03 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 3dwm h VAL 31 CO 0.08 0.51 -0.04 0.40 0.02 0.00 0.00 177.57 178.55 3dwm h ILE 32 N 0.07 0.78 0.00 4.57 2.04 -0.59 -0.47 117.51 123.91 3dwm h ILE 32 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3dwm h ILE 32 Cb 1.03 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3dwm h ILE 32 CO 0.08 0.01 0.00 0.77 0.00 0.00 0.00 178.15 179.01 3dwm h SER 33 N 0.03 0.00 -0.04 1.72 4.64 -1.41 -1.89 113.55 116.61 3dwm h SER 33 Ca 0.12 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3dwm h SER 33 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3dwm h SER 33 CO -0.23 0.00 -0.19 -0.78 -0.87 0.00 0.00 176.83 174.76 3dwm h ASP 34 N 0.00 0.23 -0.92 4.97 3.58 -0.92 -1.66 116.42 121.70 3dwm h ASP 34 Ca 0.00 -0.66 0.11 0.00 0.42 0.00 0.00 57.03 56.90 3dwm h ASP 34 Cb 0.56 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.47 3dwm h ASP 34 CO 0.00 0.86 0.59 -0.07 -2.88 0.00 0.00 179.24 177.74 3dwm h LEU 35 N -0.37 0.82 -0.40 2.28 3.38 -0.89 -1.12 115.31 119.01 3dwm h LEU 35 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dwm h LEU 35 Cb 0.85 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3dwm h LEU 35 CO 0.04 0.47 0.18 -0.08 0.09 0.00 0.00 178.44 179.13 3dwm h GLU 36 N 0.90 0.58 -0.41 1.13 4.57 -1.26 0.62 114.58 120.71 3dwm h GLU 36 Ca 0.44 -0.10 0.09 0.00 -1.18 0.00 0.00 59.36 58.61 3dwm h GLU 36 Cb 0.45 -0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.85 3dwm h GLU 36 CO -0.20 0.53 -0.23 0.00 -1.18 0.00 0.00 179.01 177.94 3dwm h ALA 37 N 1.02 0.05 0.00 2.92 0.00 -0.25 -2.63 119.26 120.37 3dwm h ALA 37 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dwm h ALA 37 Cb 0.15 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dwm h ALA 37 CO -0.01 -0.59 -0.46 0.09 0.00 0.00 0.00 179.25 178.27 3dwm n ASN 38 N -5.39 0.69 -3.02 0.00 3.02 -0.65 -4.67 115.26 105.23 3dwm n ASN 38 Ca 0.02 0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.62 3dwm n ASN 38 Cb 0.30 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 3dwm n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dwm n TYR 39 N -2.08 -2.09 -1.70 3.10 0.53 0.21 -5.04 117.16 110.08 3dwm n TYR 39 Ca 0.04 -2.52 -0.44 0.00 -1.02 0.00 0.00 57.90 53.97 3dwm n TYR 39 Cb 0.43 0.72 -0.03 0.00 -1.03 0.00 0.00 39.34 39.43 3dwm n TYR 39 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3dwm n SER 40 N 2.16 3.56 0.00 7.72 2.88 -1.17 -2.65 113.62 126.11 3dwm n SER 40 Ca 0.19 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 3dwm n SER 40 Cb 0.55 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3dwm n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dwm n GLY 41 N 3.27 2.44 0.17 0.46 0.00 -1.26 -4.85 105.19 105.41 3dwm n GLY 41 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3dwm n GLY 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dwm h ILE 42 N 0.00 0.61 0.05 -0.61 -0.00 -1.86 -3.30 117.51 112.41 3dwm h ILE 42 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 64.86 64.87 3dwm h ILE 42 Cb 0.00 0.61 -0.01 0.00 -0.00 0.00 0.00 36.82 37.42 3dwm h ILE 42 CO 0.00 0.00 -0.09 -1.28 -0.00 0.00 0.00 178.15 176.78 3dwm h SER 43 N -0.05 -0.25 -0.56 2.19 0.87 -1.88 -1.32 113.55 112.55 3dwm h SER 43 Ca 0.16 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.91 3dwm h SER 43 Cb 0.29 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3dwm h SER 43 CO -0.35 -0.14 0.46 1.05 -0.53 0.00 0.00 176.83 177.33 3dwm h GLU 44 N -0.18 0.00 0.00 2.24 4.11 -1.94 0.25 114.58 119.05 3dwm h GLU 44 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3dwm h GLU 44 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dwm h GLU 44 CO -0.06 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.02 3dwm h ARG 45 N 0.00 0.00 0.00 1.06 3.08 -1.36 -3.12 114.38 114.04 3dwm h ARG 45 Ca 0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 3dwm h ARG 45 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3dwm h ARG 45 CO -0.00 0.00 -1.90 1.28 -1.07 0.00 0.00 179.97 178.28 3dwm n LEU 46 N -2.31 0.14 -4.91 3.04 4.77 0.06 -4.92 117.00 112.87 3dwm n LEU 46 Ca 0.04 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.79 3dwm n LEU 46 Cb 0.36 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3dwm n LEU 46 CO 0.27 0.04 0.14 -0.04 -1.33 0.00 0.00 177.39 176.47 3dwm s MET 47 N -3.36 3.61 -0.11 3.23 -1.94 -1.12 -1.03 119.30 118.57 3dwm s MET 47 Ca -0.07 -0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.52 3dwm s MET 47 Cb 0.12 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 3dwm s MET 47 CO 0.88 0.29 1.28 0.34 -0.01 0.00 0.00 175.02 177.80 3dwm s ASP 48 N -3.09 6.95 0.30 3.03 -1.08 0.34 -4.20 116.67 118.91 3dwm s ASP 48 Ca 0.42 1.80 -0.02 0.00 -0.52 0.00 0.00 52.55 54.23 3dwm s ASP 48 Cb -0.11 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.26 3dwm s ASP 48 CO 0.29 -0.72 1.95 1.55 0.52 0.00 0.00 175.17 178.76 3dwm h PRO 49 N 8.07 1.03 0.00 4.34 0.13 -1.89 -3.27 132.00 140.40 3dwm h PRO 49 Ca -0.30 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3dwm h PRO 49 Cb 1.13 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3dwm h PRO 49 CO 0.94 0.71 0.00 0.43 -0.23 0.00 0.00 178.00 179.85 3dwm n SER 50 N -4.39 0.00 -4.55 1.44 7.64 -1.26 -4.82 113.62 107.68 3dwm n SER 50 Ca 0.08 0.77 -0.34 0.00 1.01 0.00 0.00 58.87 60.39 3dwm n SER 50 Cb 0.06 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 3dwm n SER 50 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dwm s SER 51 N -2.15 4.95 0.27 6.43 1.04 -1.23 -5.08 113.70 117.93 3dwm s SER 51 Ca 0.00 -0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 3dwm s SER 51 Cb 0.00 -1.71 -0.10 0.00 0.10 0.00 0.00 66.02 64.31 3dwm s SER 51 CO 0.00 0.22 1.27 -2.84 0.98 0.00 0.00 173.24 172.87 3dwm s PRO 52 N 0.08 4.42 0.00 4.02 0.02 -1.26 -3.23 135.00 139.05 3dwm s PRO 52 Ca 0.01 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3dwm s PRO 52 Cb -0.13 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3dwm s PRO 52 CO 0.02 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3dwm n GLY 53 N 1.50 2.04 3.78 0.52 0.00 -1.26 -5.00 105.19 106.77 3dwm n GLY 53 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3dwm n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwm s LYS 54 N -0.64 3.70 0.76 1.61 -2.85 -1.20 -4.63 119.74 116.49 3dwm s LYS 54 Ca 0.00 -0.22 -0.12 0.00 -1.00 0.00 0.00 55.97 54.64 3dwm s LYS 54 Cb 0.00 -3.22 0.05 0.00 -2.06 0.00 0.00 37.83 32.60 3dwm s LYS 54 CO 0.00 0.55 1.11 -0.51 0.10 0.00 0.00 175.35 176.60 3dwm s LEU 55 N -0.39 3.10 0.33 2.77 1.43 -1.26 -0.50 118.68 124.15 3dwm s LEU 55 Ca 0.11 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 54.86 3dwm s LEU 55 Cb -0.12 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.47 3dwm s LEU 55 CO 0.01 -2.09 1.16 -2.28 0.23 0.00 0.00 176.35 173.38 3dwm s HIS 56 N -2.71 3.33 0.39 0.29 5.65 -0.19 -4.03 115.29 118.01 3dwm s HIS 56 Ca 0.64 1.60 0.11 0.00 0.25 0.00 0.00 55.06 57.66 3dwm s HIS 56 Cb -0.19 -3.39 0.90 0.00 -1.18 0.00 0.00 32.58 28.72 3dwm s HIS 56 CO 0.53 -1.01 1.92 0.00 -0.65 0.00 0.00 174.74 175.52 3dwm h ARG 57 N 3.37 0.57 -0.43 2.88 3.08 -1.90 -2.55 114.38 119.39 3dwm h ARG 57 Ca -0.48 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 3dwm h ARG 57 Cb 1.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3dwm h ARG 57 CO 0.65 0.38 0.02 1.19 -1.07 0.00 0.00 179.97 181.13 3dwm n PHE 58 N -4.51 1.53 -5.09 3.04 3.72 -1.26 -4.88 117.46 110.02 3dwm n PHE 58 Ca 0.14 -0.85 -0.32 0.00 -0.05 0.00 0.00 57.45 56.37 3dwm n PHE 58 Cb 0.42 -0.43 -0.16 0.00 -0.94 0.00 0.00 39.48 38.38 3dwm n PHE 58 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dwm s VAL 59 N -2.83 2.43 -0.02 -4.37 1.01 -0.96 0.42 120.40 116.07 3dwm s VAL 59 Ca 0.48 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3dwm s VAL 59 Cb 0.38 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3dwm s VAL 59 CO 0.12 0.56 0.13 0.20 0.00 0.00 0.00 175.10 176.11 3dwm s ASN 60 N -0.04 6.08 -0.05 3.32 0.01 0.10 -4.69 114.94 119.68 3dwm s ASN 60 Ca -0.06 0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 52.36 3dwm s ASN 60 Cb -0.15 -1.86 0.03 0.00 0.41 0.00 0.00 41.25 39.68 3dwm s ASN 60 CO 0.05 0.29 0.02 -0.63 -1.51 0.00 0.00 177.10 175.31 3dwm s ILE 61 N -1.23 0.20 -0.10 0.60 1.01 -1.26 -1.03 121.20 119.39 3dwm s ILE 61 Ca 0.24 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 3dwm s ILE 61 Cb -0.12 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 3dwm s ILE 61 CO 0.15 0.21 0.01 -0.31 0.00 0.00 0.00 174.94 175.00 3dwm s TYR 62 N 1.80 3.17 -0.28 3.97 1.51 -0.34 -2.26 117.35 124.92 3dwm s TYR 62 Ca 0.01 0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.12 3dwm s TYR 62 Cb -0.13 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3dwm s TYR 62 CO -0.04 0.39 0.14 0.08 -1.11 0.00 0.00 175.55 175.01 3dwm s VAL 63 N -0.63 4.71 -1.60 0.71 1.01 -0.00 -1.09 120.40 123.51 3dwm s VAL 63 Ca 0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3dwm s VAL 63 Cb -0.12 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.06 3dwm s VAL 63 CO 0.02 0.21 0.48 0.59 0.00 0.00 0.00 175.10 176.40 3dwm n ASN 64 N 4.99 -1.25 0.00 3.32 3.02 0.23 -0.67 115.26 124.89 3dwm n ASN 64 Ca -0.15 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 3dwm n ASN 64 Cb 0.51 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 3dwm n ASN 64 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dwm n ASP 65 N -2.79 0.00 -4.70 6.41 5.75 -1.26 -5.02 116.55 114.94 3dwm n ASP 65 Ca -0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.29 3dwm n ASP 65 Cb 0.59 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 3dwm n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3dwm s GLU 66 N -0.06 4.15 -0.18 0.11 2.02 0.15 -5.06 118.70 119.84 3dwm s GLU 66 Ca 0.00 -0.21 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 3dwm s GLU 66 Cb 0.00 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 3dwm s GLU 66 CO 0.00 0.21 1.43 0.34 0.02 0.00 0.00 175.26 177.26 3dwm s ASP 67 N 0.62 6.72 0.48 -0.19 -1.08 -1.26 -0.82 116.67 121.14 3dwm s ASP 67 Ca 0.08 1.71 0.17 0.00 -0.52 0.00 0.00 52.55 54.00 3dwm s ASP 67 Cb -0.12 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 39.99 3dwm s ASP 67 CO 0.01 -0.96 2.05 -0.37 0.52 0.00 0.00 175.17 176.42 3dwm h VAL 68 N 5.73 0.91 0.00 1.11 -1.51 -1.82 0.19 116.25 120.86 3dwm h VAL 68 Ca -0.31 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3dwm h VAL 68 Cb 1.13 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3dwm h VAL 68 CO 0.98 0.03 0.20 0.54 -1.23 0.00 0.00 177.57 178.10 3dwm n ARG 69 N -4.47 0.05 0.00 5.19 1.74 -1.26 -0.61 116.66 117.30 3dwm n ARG 69 Ca 0.05 0.47 0.05 0.00 -0.77 0.00 0.00 57.85 57.65 3dwm n ARG 69 Cb 0.31 -1.87 0.02 0.00 -1.02 0.00 0.00 32.46 29.90 3dwm n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dwm n PHE 70 N -1.74 0.00 -0.67 -1.55 0.99 0.67 -4.59 117.46 110.56 3dwm n PHE 70 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.49 3dwm n PHE 70 Cb 0.21 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.76 3dwm n PHE 70 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3dwm n SER 71 N 0.15 1.96 0.00 4.37 3.41 0.22 -4.98 113.62 118.74 3dwm n SER 71 Ca 0.05 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3dwm n SER 71 Cb 0.23 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3dwm n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwm n GLY 72 N -0.90 1.26 7.00 5.00 0.00 -0.90 -3.91 105.19 112.73 3dwm n GLY 72 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3dwm n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwm n GLY 73 N -1.23 3.21 0.21 -0.02 0.00 0.11 -1.29 105.19 106.17 3dwm n GLY 73 Ca 0.00 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.43 3dwm n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwm h LEU 74 N 0.00 0.00 -0.11 0.99 3.38 -1.89 -1.56 115.31 116.12 3dwm h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dwm h LEU 74 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dwm h LEU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3dwm h ALA 75 N 2.14 1.00 -1.02 1.53 0.00 -1.53 0.85 119.26 122.22 3dwm h ALA 75 Ca 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 54.91 54.09 3dwm h ALA 75 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3dwm h ALA 75 CO 0.00 0.00 0.85 2.41 0.00 0.00 0.00 179.25 182.51 3dwm n THR 76 N -2.64 0.09 -1.88 0.00 -1.04 -0.59 -4.65 114.28 103.57 3dwm n THR 76 Ca 0.05 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 3dwm n THR 76 Cb 0.45 -0.72 0.04 0.00 -1.82 0.00 0.00 70.33 68.28 3dwm n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwm s ALA 77 N 3.66 2.70 -0.09 2.41 0.00 -1.26 -1.69 121.76 127.48 3dwm s ALA 77 Ca 1.05 1.20 -0.00 0.00 0.00 0.00 0.00 51.96 54.21 3dwm s ALA 77 Cb -1.37 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 18.25 3dwm s ALA 77 CO 0.75 -1.29 -0.06 0.42 0.00 0.00 0.00 175.76 175.58 3dwm s ILE 78 N -1.40 0.82 0.24 0.00 -1.09 0.21 -4.84 121.20 115.13 3dwm s ILE 78 Ca 0.74 -0.18 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 3dwm s ILE 78 Cb -0.36 -0.86 -0.03 0.00 -1.58 0.00 0.00 42.46 39.62 3dwm s ILE 78 CO 0.42 0.32 0.31 0.00 -1.23 0.00 0.00 174.94 174.76 3dwm s ALA 79 N 1.59 3.82 0.40 9.38 0.00 -1.26 -4.65 121.76 131.03 3dwm s ALA 79 Ca 0.01 -1.28 -0.27 0.00 0.00 0.00 0.00 51.96 50.42 3dwm s ALA 79 Cb -0.13 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 3dwm s ALA 79 CO -0.05 0.25 1.35 0.34 0.00 0.00 0.00 175.76 177.64 3dwm s ASP 80 N -3.92 6.31 0.00 0.00 2.15 -1.26 -1.90 116.67 118.05 3dwm s ASP 80 Ca 0.34 2.76 0.00 0.00 0.43 0.00 0.00 52.55 56.07 3dwm s ASP 80 Cb -0.09 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3dwm s ASP 80 CO 0.28 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 3dwm n GLY 81 N 0.65 0.18 3.69 2.66 0.00 -1.01 -5.01 105.19 106.35 3dwm n GLY 81 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3dwm n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwm s ASP 82 N -2.02 3.30 0.19 1.61 1.11 -0.80 -4.93 116.67 115.15 3dwm s ASP 82 Ca 0.00 1.95 0.10 0.00 0.18 0.00 0.00 52.55 54.79 3dwm s ASP 82 Cb 0.00 -2.49 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 3dwm s ASP 82 CO 0.00 -2.82 -0.17 -0.94 1.18 0.00 0.00 175.17 172.42 3dwm s SER 83 N -2.96 3.85 0.04 0.27 1.04 -1.26 -3.46 113.70 111.22 3dwm s SER 83 Ca 0.65 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 56.41 3dwm s SER 83 Cb -0.21 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 3dwm s SER 83 CO 0.58 0.11 -0.19 -0.69 0.98 0.00 0.00 173.24 174.02 3dwm s VAL 84 N -1.74 1.53 -0.07 5.02 1.01 -0.35 -0.60 120.40 125.20 3dwm s VAL 84 Ca 0.23 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3dwm s VAL 84 Cb -0.08 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3dwm s VAL 84 CO 0.13 0.17 0.05 -0.89 0.00 0.00 0.00 175.10 174.56 3dwm s THR 85 N -0.80 0.00 -0.20 3.92 2.01 -0.25 -0.90 115.64 119.43 3dwm s THR 85 Ca 0.06 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 3dwm s THR 85 Cb -0.08 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 3dwm s THR 85 CO 0.02 0.13 0.14 -0.63 -0.69 0.00 0.00 174.62 173.59 3dwm s ILE 86 N 2.12 5.40 -0.06 1.82 1.01 -1.03 -1.20 121.20 129.26 3dwm s ILE 86 Ca 0.04 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 3dwm s ILE 86 Cb -0.13 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3dwm s ILE 86 CO -0.04 0.43 0.16 -0.76 0.00 0.00 0.00 174.94 174.73 3dwm s LEU 87 N 0.38 1.25 0.23 2.97 1.43 -0.20 -3.68 118.68 121.06 3dwm s LEU 87 Ca 0.09 0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 53.19 3dwm s LEU 87 Cb -0.11 0.52 -0.13 0.00 0.03 0.00 0.00 46.19 46.49 3dwm s LEU 87 CO -0.01 -0.07 1.51 -2.65 0.23 0.00 0.00 176.35 175.35 3dwm n PRO 88 N 3.25 2.23 -2.14 1.29 -0.02 -1.26 0.03 135.00 138.38 3dwm n PRO 88 Ca -0.15 0.80 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3dwm n PRO 88 Cb 0.57 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3dwm n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dwm s ALA 89 N 0.29 2.63 0.00 3.55 0.00 0.17 -4.72 121.76 123.68 3dwm s ALA 89 Ca 0.71 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3dwm s ALA 89 Cb -0.62 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.13 3dwm s ALA 89 CO 0.45 -0.91 0.48 0.28 0.00 0.00 0.00 175.76 176.06