#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl0 s SER 2 N 0.00 1.27 -1.65 1.61 0.15 -1.26 -4.87 113.70 108.95 2dl0 s SER 2 Ca 0.00 -1.62 -0.17 0.00 0.70 0.00 0.00 55.95 54.86 2dl0 s SER 2 Cb 0.00 0.48 0.17 0.00 -1.71 0.00 0.00 66.02 64.96 2dl0 s SER 2 CO 0.00 -0.97 0.43 -1.20 1.20 0.00 0.00 173.24 172.70 2dl0 n SER 3 N -1.08 -1.11 -2.45 5.45 7.64 -1.26 -4.80 113.62 116.01 2dl0 n SER 3 Ca 0.04 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.45 2dl0 n SER 3 Cb 0.64 -1.46 0.04 0.00 -1.01 0.00 0.00 64.21 62.43 2dl0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl0 n GLY 4 N -1.32 5.91 3.30 0.23 0.00 -1.26 -4.93 105.19 107.12 2dl0 n GLY 4 Ca 0.02 -2.51 -0.46 0.00 0.00 0.00 0.00 46.02 43.07 2dl0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl0 s SER 5 N -2.28 6.29 0.08 1.61 0.15 -1.26 -4.75 113.70 113.53 2dl0 s SER 5 Ca 0.56 -2.08 0.00 0.00 0.70 0.00 0.00 55.95 55.12 2dl0 s SER 5 Cb 0.45 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2dl0 s SER 5 CO -0.14 -0.75 0.00 -1.54 1.20 0.00 0.00 173.24 172.00 2dl0 n SER 6 N 4.82 0.09 0.00 5.45 3.41 -1.26 -5.14 113.62 120.99 2dl0 n SER 6 Ca -0.05 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2dl0 n SER 6 Cb 0.42 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2dl0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl0 n GLY 7 N 2.10 1.31 0.00 5.00 0.00 -1.26 -4.99 105.19 107.34 2dl0 n GLY 7 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2dl0 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dl0 n GLY 8 N 0.00 3.23 3.17 -0.02 0.00 -1.26 -5.16 105.19 105.14 2dl0 n GLY 8 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.74 2dl0 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dl0 s GLY 9 N 0.00 -0.45 0.25 -0.02 0.00 -1.26 -5.15 107.32 100.70 2dl0 s GLY 9 Ca 0.00 2.63 0.00 0.00 0.00 0.00 0.00 44.72 47.35 2dl0 s GLY 9 CO 0.00 3.68 0.00 -0.10 0.00 0.00 0.00 173.10 176.68 2dl0 n LEU 10 N 5.42 -0.42 -4.53 0.66 7.94 -1.26 -4.88 117.00 119.94 2dl0 n LEU 10 Ca -0.06 0.99 -0.38 0.00 -1.11 0.00 0.00 56.01 55.45 2dl0 n LEU 10 Cb 0.53 -1.24 0.04 0.00 0.53 0.00 0.00 43.42 43.28 2dl0 n LEU 10 CO -0.07 -0.87 0.26 1.07 -1.11 0.00 0.00 177.39 176.66 2dl0 n THR 11 N -2.96 2.78 -3.95 1.96 5.66 -1.26 -4.99 114.28 111.52 2dl0 n THR 11 Ca -0.04 -0.50 -0.24 0.00 -3.05 0.00 0.00 64.05 60.22 2dl0 n THR 11 Cb 0.28 -0.86 -0.03 0.00 -1.55 0.00 0.00 70.33 68.17 2dl0 n THR 11 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2dl0 s GLU 12 N -2.31 3.44 0.15 1.09 2.56 -1.26 -5.12 118.70 117.25 2dl0 s GLU 12 Ca 0.71 -0.67 0.04 0.00 0.00 0.00 0.00 54.97 55.04 2dl0 s GLU 12 Cb -0.45 -2.93 -0.04 0.00 2.00 0.00 0.00 34.13 32.72 2dl0 s GLU 12 CO 0.52 0.48 0.16 0.96 -0.56 0.00 0.00 175.26 176.82 2dl0 s ILE 13 N -1.86 4.71 0.14 -3.70 -4.36 -1.26 -4.95 121.20 109.93 2dl0 s ILE 13 Ca 0.34 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 2dl0 s ILE 13 Cb -0.10 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.22 2dl0 s ILE 13 CO 0.29 -0.06 0.00 0.00 0.24 0.00 0.00 174.94 175.40 2dl0 n ARG 15 N 0.82 0.79 -4.44 0.00 1.74 -1.26 -4.98 116.66 109.33 2dl0 n ARG 15 Ca 0.00 0.28 -0.31 0.00 -0.77 0.00 0.00 57.85 57.06 2dl0 n ARG 15 Cb 0.00 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 29.71 2dl0 n ARG 15 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2dl0 s LYS 16 N -1.63 2.26 0.21 5.56 0.00 -1.26 -5.10 119.74 119.78 2dl0 s LYS 16 Ca 0.63 -0.91 -0.30 0.00 0.00 0.00 0.00 55.97 55.39 2dl0 s LYS 16 Cb -0.63 -2.34 -0.09 0.00 0.00 0.00 0.00 37.83 34.77 2dl0 s LYS 16 CO 0.58 0.55 1.29 -1.25 0.00 0.00 0.00 175.35 176.52 2dl0 s PRO 17 N -1.70 4.40 0.42 1.78 0.04 -1.26 -5.04 135.00 133.64 2dl0 s PRO 17 Ca 0.18 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.34 2dl0 s PRO 17 Cb -0.11 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 2dl0 s PRO 17 CO 0.09 -0.22 0.40 0.14 0.04 0.00 0.00 177.00 177.45 2dl0 s VAL 18 N -0.02 2.69 0.00 -0.36 -7.23 -1.26 -4.99 120.40 109.22 2dl0 s VAL 18 Ca 0.55 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2dl0 s VAL 18 Cb -0.36 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2dl0 s VAL 18 CO 0.39 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.98 2dl0 n SER 19 N -1.59 0.00 -0.05 4.85 7.64 -1.26 -4.99 113.62 118.21 2dl0 n SER 19 Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.79 2dl0 n SER 19 Cb 0.61 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 2dl0 n SER 19 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2dl0 h PRO 20 N 0.00 0.32 0.00 1.43 0.13 -2.06 -3.47 132.00 128.35 2dl0 h PRO 20 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2dl0 h PRO 20 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dl0 h PRO 20 CO 0.00 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2dl0 n GLY 21 N 0.19 0.48 3.62 1.56 0.00 -1.26 -5.01 105.19 104.77 2dl0 n GLY 21 Ca -0.06 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 2dl0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dl0 s ILE 23 N 4.17 3.22 0.00 0.00 1.01 -1.26 -4.95 121.20 123.39 2dl0 s ILE 23 Ca 0.48 1.02 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2dl0 s ILE 23 Cb -0.10 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2dl0 s ILE 23 CO 0.25 0.09 0.00 -1.54 0.00 0.00 0.00 174.94 173.73 2dl0 n SER 24 N 0.08 2.86 -4.01 3.58 3.41 -1.26 -5.04 113.62 113.24 2dl0 n SER 24 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.44 2dl0 n SER 24 Cb 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 2dl0 n SER 24 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dl0 s SER 25 N -3.99 2.09 0.17 4.04 0.15 -1.26 -4.87 113.70 110.03 2dl0 s SER 25 Ca 0.00 -1.61 -0.21 0.00 0.70 0.00 0.00 55.95 54.83 2dl0 s SER 25 Cb 0.00 0.41 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 2dl0 s SER 25 CO 0.00 -0.90 1.61 0.58 1.20 0.00 0.00 173.24 175.72 2dl0 h VAL 26 N 2.04 0.27 -0.10 4.45 2.07 -1.89 -2.29 116.25 120.80 2dl0 h VAL 26 Ca -0.34 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2dl0 h VAL 26 Cb 1.26 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2dl0 h VAL 26 CO 0.53 0.00 -0.50 0.77 0.02 0.00 0.00 177.57 178.40 2dl0 h SER 27 N -0.19 -1.57 -1.44 0.57 4.64 -1.94 0.40 113.55 114.02 2dl0 h SER 27 Ca 0.20 0.18 0.43 0.00 -0.47 0.00 0.00 61.79 62.13 2dl0 h SER 27 Cb 0.51 0.61 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 2dl0 h SER 27 CO -0.55 -0.45 1.00 0.44 -0.87 0.00 0.00 176.83 176.40 2dl0 h ASP 28 N -0.55 0.12 0.19 4.97 5.19 -1.83 0.59 116.42 125.09 2dl0 h ASP 28 Ca 0.03 0.05 -0.29 0.00 -0.62 0.00 0.00 57.03 56.19 2dl0 h ASP 28 Cb 0.63 0.04 0.02 0.00 0.18 0.00 0.00 39.33 40.20 2dl0 h ASP 28 CO -0.39 -0.04 -1.37 -0.25 -3.12 0.00 0.00 179.24 174.07 2dl0 h TRP 29 N 0.07 0.72 -0.40 4.55 7.01 -0.28 -2.88 115.95 124.74 2dl0 h TRP 29 Ca 0.75 -0.53 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 2dl0 h TRP 29 Cb 2.71 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 29.72 2dl0 h TRP 29 CO -0.00 1.53 0.08 -0.07 -2.79 0.00 0.00 178.44 177.19 2dl0 h LEU 30 N -0.07 0.55 -0.15 0.65 3.38 0.40 -2.70 115.31 117.37 2dl0 h LEU 30 Ca -0.26 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.39 2dl0 h LEU 30 Cb 1.96 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.57 2dl0 h LEU 30 CO 0.19 0.57 -0.86 0.40 0.09 0.00 0.00 178.44 178.82 2dl0 h ILE 31 N 0.58 1.30 -0.02 1.22 2.04 -0.69 0.20 117.51 122.14 2dl0 h ILE 31 Ca 0.13 -2.12 0.01 0.00 1.00 0.00 0.00 64.86 63.88 2dl0 h ILE 31 Cb 0.25 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2dl0 h ILE 31 CO -0.00 0.66 0.11 -1.28 0.00 0.00 0.00 178.15 177.63 2dl0 h SER 32 N 0.44 0.00 0.00 1.72 0.87 -1.25 0.17 113.55 115.49 2dl0 h SER 32 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2dl0 h SER 32 Cb 1.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2dl0 h SER 32 CO 0.17 0.00 -0.89 2.30 -0.53 0.00 0.00 176.83 177.88 2dl0 n ILE 33 N -3.17 0.00 -1.80 2.23 -5.35 -1.15 -4.99 119.36 105.13 2dl0 n ILE 33 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2dl0 n ILE 33 Cb 0.18 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 2dl0 n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dl0 n GLY 34 N 1.43 0.74 2.61 3.28 0.00 0.58 -4.99 105.19 108.84 2dl0 n GLY 34 Ca 0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2dl0 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dl0 n LEU 35 N -0.13 2.41 0.02 0.99 4.77 0.66 -4.86 117.00 120.85 2dl0 n LEU 35 Ca 0.00 -3.84 0.08 0.00 -0.03 0.00 0.00 56.01 52.22 2dl0 n LEU 35 Cb 0.42 0.22 0.33 0.00 -2.33 0.00 0.00 43.42 42.06 2dl0 n LEU 35 CO 0.00 1.56 0.75 -0.81 -1.33 0.00 0.00 177.39 177.55 2dl0 n PRO 36 N -0.38 0.03 0.00 3.23 -0.04 -1.19 -2.68 135.00 133.97 2dl0 n PRO 36 Ca 0.17 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2dl0 n PRO 36 Cb 0.81 -1.56 0.40 0.00 -0.04 0.00 0.00 33.50 33.10 2dl0 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dl0 n MET 37 N -1.62 0.35 -0.01 0.54 0.00 -1.26 -1.82 117.12 113.31 2dl0 n MET 37 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 57.70 57.86 2dl0 n MET 37 Cb 0.18 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.80 2dl0 n MET 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2dl0 n TYR 38 N -1.11 0.00 -0.30 3.17 4.01 -1.09 -4.55 117.16 117.29 2dl0 n TYR 38 Ca 0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.79 2dl0 n TYR 38 Cb 0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 38.80 2dl0 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dl0 n ALA 39 N -1.93 -0.28 0.08 -0.72 0.00 -0.75 0.12 120.51 117.04 2dl0 n ALA 39 Ca -0.02 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 54.04 2dl0 n ALA 39 Cb 0.33 -0.22 0.10 0.00 0.00 0.00 0.00 19.45 19.66 2dl0 n ALA 39 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dl0 h GLY 40 N 0.00 0.25 1.02 0.00 0.00 -1.83 -1.87 103.07 100.64 2dl0 h GLY 40 Ca 0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2dl0 h GLY 40 CO -0.71 0.30 -0.46 -0.84 0.00 0.00 0.00 176.54 174.83 2dl0 h THR 41 N 0.16 0.07 -0.53 4.70 2.02 0.72 -1.74 112.91 118.31 2dl0 h THR 41 Ca -0.01 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2dl0 h THR 41 Cb 1.18 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2dl0 h THR 41 CO 0.10 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.92 2dl0 h LEU 42 N -1.28 0.88 -0.89 2.58 3.38 -0.70 -2.85 115.31 116.43 2dl0 h LEU 42 Ca -0.13 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.73 2dl0 h LEU 42 Cb 0.98 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 2dl0 h LEU 42 CO 0.21 0.94 0.52 0.28 0.09 0.00 0.00 178.44 180.49 2dl0 h SER 43 N 0.84 0.73 -0.59 -0.43 0.02 -1.25 0.12 113.55 112.98 2dl0 h SER 43 Ca 0.16 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 2dl0 h SER 43 Cb 0.50 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2dl0 h SER 43 CO 0.02 0.38 0.01 0.74 -1.14 0.00 0.00 176.83 176.84 2dl0 h THR 44 N 0.82 1.26 0.00 -2.27 2.02 -1.08 -2.35 112.91 111.31 2dl0 h THR 44 Ca 0.45 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2dl0 h THR 44 Cb 0.49 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2dl0 h THR 44 CO -0.28 0.41 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2dl0 h ALA 45 N 1.03 1.00 0.00 6.16 0.00 -1.07 -3.45 119.26 122.92 2dl0 h ALA 45 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dl0 h ALA 45 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dl0 h ALA 45 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2dl0 n GLY 46 N -0.33 1.25 3.56 0.00 0.00 -0.70 -5.06 105.19 103.91 2dl0 n GLY 46 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2dl0 n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dl0 s PHE 47 N -1.30 1.75 0.00 1.61 0.08 0.29 -4.51 117.98 115.90 2dl0 s PHE 47 Ca 0.00 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.79 2dl0 s PHE 47 Cb 0.00 -3.99 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 2dl0 s PHE 47 CO 0.00 -1.72 0.00 0.45 -0.10 0.00 0.00 175.22 173.85 2dl0 n SER 48 N 14.39 4.75 -4.85 1.36 2.88 -1.26 -3.27 113.62 127.62 2dl0 n SER 48 Ca 0.41 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.58 2dl0 n SER 48 Cb 0.47 0.73 -0.06 0.00 -0.75 0.00 0.00 64.21 64.60 2dl0 n SER 48 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2dl0 s THR 49 N -1.92 5.45 -1.51 2.46 -4.23 -1.26 -4.48 115.64 110.14 2dl0 s THR 49 Ca 0.00 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 60.82 2dl0 s THR 49 Cb 0.00 -3.39 0.23 0.00 1.34 0.00 0.00 72.50 70.68 2dl0 s THR 49 CO 0.00 0.59 1.26 0.18 -0.54 0.00 0.00 174.62 176.11 2dl0 n LEU 50 N 2.25 0.00 0.10 4.79 4.77 -1.26 -2.22 117.00 125.42 2dl0 n LEU 50 Ca -0.19 0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 2dl0 n LEU 50 Cb 0.54 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2dl0 n LEU 50 CO 0.32 -0.15 0.36 -1.28 -1.33 0.00 0.00 177.39 175.31 2dl0 h SER 51 N 0.00 0.16 1.04 -1.43 0.87 -1.99 -3.01 113.55 109.18 2dl0 h SER 51 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2dl0 h SER 51 Cb 0.09 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2dl0 h SER 51 CO 0.00 0.85 -0.19 0.00 -0.53 0.00 0.00 176.83 176.96 2dl0 n GLN 52 N -3.71 0.13 0.43 2.24 6.02 -0.94 -4.04 117.38 117.50 2dl0 n GLN 52 Ca -0.02 0.08 -0.19 0.00 -0.01 0.00 0.00 57.00 56.86 2dl0 n GLN 52 Cb 0.73 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 30.26 2dl0 n GLN 52 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dl0 h VAL 53 N 0.00 0.13 0.00 5.09 2.07 -1.63 -2.19 116.25 119.72 2dl0 h VAL 53 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dl0 h VAL 53 Cb 0.62 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2dl0 h VAL 53 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2dl0 n PRO 54 N -5.58 0.41 -0.44 1.57 -0.04 -1.26 -2.15 135.00 127.52 2dl0 n PRO 54 Ca -0.15 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 2dl0 n PRO 54 Cb 0.46 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.63 2dl0 n PRO 54 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dl0 n SER 55 N -1.07 3.07 -3.32 3.54 2.88 -0.85 -4.66 113.62 113.21 2dl0 n SER 55 Ca 0.10 -3.25 -0.29 0.00 -1.33 0.00 0.00 58.87 54.10 2dl0 n SER 55 Cb 0.07 -0.54 0.27 0.00 -0.75 0.00 0.00 64.21 63.26 2dl0 n SER 55 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dl0 n LEU 56 N -0.92 0.00 -3.63 2.46 4.77 -0.91 -5.01 117.00 113.76 2dl0 n LEU 56 Ca 0.23 -0.94 -0.06 0.00 -0.03 0.00 0.00 56.01 55.21 2dl0 n LEU 56 Cb 0.85 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2dl0 n LEU 56 CO 0.12 -2.56 0.99 -0.44 -1.33 0.00 0.00 177.39 174.17 2dl0 s SER 57 N -3.51 -0.20 0.38 -1.43 0.01 -1.26 -4.95 113.70 102.75 2dl0 s SER 57 Ca 0.66 0.31 0.22 0.00 1.31 0.00 0.00 55.95 58.44 2dl0 s SER 57 Cb -0.10 0.29 1.28 0.00 0.21 0.00 0.00 66.02 67.70 2dl0 s SER 57 CO 0.53 -0.12 1.63 -0.74 0.41 0.00 0.00 173.24 174.95 2dl0 h HIS 58 N 2.94 0.75 0.00 2.43 2.76 -1.98 1.13 115.15 123.19 2dl0 h HIS 58 Ca -0.20 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.78 2dl0 h HIS 58 Cb 1.18 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 2dl0 h HIS 58 CO 0.25 -0.27 -0.92 1.15 -1.30 0.00 0.00 177.93 176.84 2dl0 h THR 59 N 0.15 1.43 -0.06 6.26 2.02 -1.98 -2.54 112.91 118.19 2dl0 h THR 59 Ca 0.79 -2.51 0.01 0.00 0.77 0.00 0.00 66.41 65.47 2dl0 h THR 59 Cb 2.15 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 70.98 2dl0 h THR 59 CO -0.58 0.74 -0.00 0.00 0.37 0.00 0.00 175.52 176.05 2dl0 h LEU 61 N 0.02 0.78 -1.89 0.00 3.38 -1.40 -2.88 115.31 113.32 2dl0 h LEU 61 Ca 0.03 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2dl0 h LEU 61 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2dl0 h LEU 61 CO -0.05 1.01 0.13 1.56 0.09 0.00 0.00 178.44 181.17 2dl0 h GLN 62 N 0.55 0.15 -0.01 1.13 1.08 -1.26 -0.60 115.11 116.15 2dl0 h GLN 62 Ca 0.08 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 2dl0 h GLN 62 Cb 0.71 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2dl0 h GLN 62 CO 0.05 0.10 -0.48 0.93 -0.95 0.00 0.00 178.83 178.48 2dl0 h GLU 63 N 0.15 0.03 0.00 1.46 5.08 -0.85 -2.73 114.58 117.73 2dl0 h GLU 63 Ca 0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2dl0 h GLU 63 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2dl0 h GLU 63 CO -0.01 0.50 -0.20 0.00 -1.00 0.00 0.00 179.01 178.30 2dl0 h ALA 64 N 1.49 0.88 0.00 3.43 0.00 -1.06 -3.47 119.26 120.53 2dl0 h ALA 64 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dl0 h ALA 64 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dl0 h ALA 64 CO 0.06 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2dl0 n GLY 65 N 1.06 1.45 3.71 0.00 0.00 -0.92 -4.92 105.19 105.56 2dl0 n GLY 65 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2dl0 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dl0 s ILE 66 N -1.50 3.33 0.00 -0.61 1.01 -0.83 -4.87 121.20 117.74 2dl0 s ILE 66 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2dl0 s ILE 66 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2dl0 s ILE 66 CO 0.00 0.06 0.00 0.35 0.00 0.00 0.00 174.94 175.35 2dl0 n THR 67 N 4.07 0.00 -1.52 2.92 -2.24 -1.26 -3.40 114.28 112.85 2dl0 n THR 67 Ca 0.12 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.70 2dl0 n THR 67 Cb 0.42 -0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 67.96 2dl0 n THR 67 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2dl0 n GLU 68 N -1.46 0.20 -0.07 -0.78 0.00 -1.26 -4.67 120.64 112.60 2dl0 n GLU 68 Ca 0.00 -0.29 0.24 0.00 0.00 0.00 0.00 57.16 57.11 2dl0 n GLU 68 Cb 0.28 -1.96 0.54 0.00 0.00 0.00 0.00 31.44 30.30 2dl0 n GLU 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2dl0 h GLU 69 N 11.73 0.00 -0.39 3.44 3.07 -1.98 0.91 114.58 131.35 2dl0 h GLU 69 Ca 0.02 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 2dl0 h GLU 69 Cb 1.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 2dl0 h GLU 69 CO 1.40 0.00 -0.27 -0.09 -1.40 0.00 0.00 179.01 178.66 2dl0 h ARG 70 N 0.00 0.87 0.18 2.33 9.65 -2.01 -2.31 114.38 123.09 2dl0 h ARG 70 Ca 0.35 -0.41 -0.30 0.00 -1.10 0.00 0.00 59.98 58.52 2dl0 h ARG 70 Cb 2.19 -0.01 0.02 0.00 -1.39 0.00 0.00 29.97 30.78 2dl0 h ARG 70 CO -0.00 1.06 -1.35 0.45 2.80 0.00 0.00 179.97 182.93 2dl0 h HIS 71 N 0.68 0.68 -0.60 2.20 3.86 0.43 -3.14 115.15 119.26 2dl0 h HIS 71 Ca 0.08 -0.49 0.02 0.00 -1.16 0.00 0.00 60.37 58.81 2dl0 h HIS 71 Cb 0.84 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 2dl0 h HIS 71 CO 0.06 1.39 0.38 0.82 0.86 0.00 0.00 177.93 181.45 2dl0 h ILE 72 N 0.10 1.11 -0.58 2.45 2.04 -1.20 0.45 117.51 121.88 2dl0 h ILE 72 Ca -0.19 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 2dl0 h ILE 72 Cb 2.05 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2dl0 h ILE 72 CO 0.23 0.14 0.04 0.03 0.00 0.00 0.00 178.15 178.59 2dl0 h ARG 73 N 0.77 0.97 -0.41 2.37 2.47 -1.52 0.11 114.38 119.14 2dl0 h ARG 73 Ca 0.23 -0.27 -0.09 0.00 -1.26 0.00 0.00 59.98 58.59 2dl0 h ARG 73 Cb -0.03 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2dl0 h ARG 73 CO -0.08 0.93 -0.10 -0.22 0.56 0.00 0.00 179.97 181.07 2dl0 h LYS 74 N 0.90 0.79 -0.19 0.04 3.64 -1.38 0.23 116.57 120.60 2dl0 h LYS 74 Ca 0.17 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 2dl0 h LYS 74 Cb 0.47 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2dl0 h LYS 74 CO 0.02 0.92 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.82 2dl0 h LEU 75 N 0.61 0.53 -0.98 5.20 3.38 -0.76 -0.56 115.31 122.73 2dl0 h LEU 75 Ca 0.10 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2dl0 h LEU 75 Cb 0.63 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2dl0 h LEU 75 CO 0.04 0.92 -0.02 -0.07 0.09 0.00 0.00 178.44 179.40 2dl0 h LEU 76 N 0.15 0.69 -0.20 1.67 3.38 -0.78 -0.52 115.31 119.70 2dl0 h LEU 76 Ca 0.02 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 2dl0 h LEU 76 Cb 0.79 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dl0 h LEU 76 CO 0.05 0.77 -0.77 -1.28 0.09 0.00 0.00 178.44 177.31 2dl0 h SER 77 N 0.67 0.88 -0.11 -0.43 0.87 -0.91 -2.53 113.55 111.99 2dl0 h SER 77 Ca 0.13 -0.57 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 2dl0 h SER 77 Cb 0.44 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2dl0 h SER 77 CO 0.02 1.37 -0.34 0.00 -0.53 0.00 0.00 176.83 177.35 2dl0 h ALA 78 N 0.62 0.89 -0.45 6.23 0.00 -0.89 -3.06 119.26 122.59 2dl0 h ALA 78 Ca -0.05 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2dl0 h ALA 78 Cb 1.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2dl0 h ALA 78 CO 0.15 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.75 2dl0 h ALA 79 N 1.12 0.64 0.00 0.00 0.00 -1.10 -2.60 119.26 117.32 2dl0 h ALA 79 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2dl0 h ALA 79 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2dl0 h ALA 79 CO 0.07 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.53 2dl0 n ARG 80 N -4.09 0.14 -0.35 0.00 1.74 -0.96 -1.05 116.66 112.09 2dl0 n ARG 80 Ca -0.01 0.50 0.10 0.00 -0.77 0.00 0.00 57.85 57.68 2dl0 n ARG 80 Cb 0.49 -1.85 0.29 0.00 -1.02 0.00 0.00 32.46 30.38 2dl0 n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2dl0 n LEU 81 N -2.13 3.83 -4.44 0.55 4.77 -0.98 -4.87 117.00 113.73 2dl0 n LEU 81 Ca 0.01 -2.04 -0.44 0.00 -0.03 0.00 0.00 56.01 53.51 2dl0 n LEU 81 Cb 0.13 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 2dl0 n LEU 81 CO 0.14 0.93 0.02 0.12 -1.33 0.00 0.00 177.39 177.27 2dl0 s PHE 82 N -1.07 3.22 -0.37 -1.77 5.36 -0.21 -5.04 117.98 118.09 2dl0 s PHE 82 Ca 0.44 -0.67 -0.07 0.00 -0.96 0.00 0.00 56.93 55.67 2dl0 s PHE 82 Cb 0.24 -2.91 0.06 0.00 -0.34 0.00 0.00 43.02 40.06 2dl0 s PHE 82 CO 0.29 -0.71 0.17 0.15 -1.46 0.00 0.00 175.22 173.66 2dl0 s LYS 83 N 1.81 2.52 0.39 10.12 1.02 -1.26 -4.82 119.74 129.52 2dl0 s LYS 83 Ca 0.06 -1.36 -0.25 0.00 0.02 0.00 0.00 55.97 54.44 2dl0 s LYS 83 Cb -0.21 -3.57 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 2dl0 s LYS 83 CO 0.10 -0.82 1.14 -0.51 -0.92 0.00 0.00 175.35 174.34 2dl0 s LEU 84 N 1.37 4.21 0.65 3.17 1.43 -1.26 -5.01 118.68 123.22 2dl0 s LEU 84 Ca 0.01 2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 2dl0 s LEU 84 Cb -0.21 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 2dl0 s LEU 84 CO 0.01 -0.61 1.11 -2.16 0.23 0.00 0.00 176.35 174.94 2dl0 s PRO 85 N -2.28 2.87 0.77 1.29 0.04 -1.26 -5.02 135.00 131.41 2dl0 s PRO 85 Ca 0.56 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 2dl0 s PRO 85 Cb -0.29 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.35 2dl0 s PRO 85 CO 0.37 -1.20 1.09 -1.25 0.04 0.00 0.00 177.00 176.05 2dl0 s PRO 86 N -4.00 2.24 0.00 0.56 0.04 -1.26 -5.03 135.00 127.55 2dl0 s PRO 86 Ca 0.68 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2dl0 s PRO 86 Cb -0.21 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2dl0 s PRO 86 CO 0.40 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.19 2dl0 n GLY 87 N -1.20 -1.41 0.00 0.56 0.00 -1.26 -5.01 105.19 96.87 2dl0 n GLY 87 Ca 0.09 0.81 0.08 0.00 0.00 0.00 0.00 46.02 47.00 2dl0 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl0 n PRO 88 N 0.00 0.38 0.17 1.61 -0.04 -1.26 -2.92 135.00 132.93 2dl0 n PRO 88 Ca 0.00 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 2dl0 n PRO 88 Cb 0.00 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.55 2dl0 n PRO 88 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dl0 h GLU 89 N 0.00 0.00 -0.48 0.54 4.57 -2.03 -2.80 114.58 114.38 2dl0 h GLU 89 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 2dl0 h GLU 89 Cb 0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.25 2dl0 h GLU 89 CO 0.00 0.00 -1.01 0.00 -1.18 0.00 0.00 179.01 176.82 2dl0 n ALA 90 N -1.82 3.29 -2.62 2.92 0.00 -1.15 -5.06 120.51 116.06 2dl0 n ALA 90 Ca 0.00 -3.03 -0.39 0.00 0.00 0.00 0.00 53.44 50.02 2dl0 n ALA 90 Cb 0.16 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 2dl0 n ALA 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2dl0 s MET 91 N -3.47 4.06 0.06 0.00 1.75 -1.06 -4.77 119.30 115.86 2dl0 s MET 91 Ca 0.35 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.86 2dl0 s MET 91 Cb 0.35 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 34.40 2dl0 s MET 91 CO -0.03 -0.20 0.00 -1.13 -0.65 0.00 0.00 175.02 173.01 2dl0 n SER 92 N 5.08 -0.49 -4.65 1.11 3.41 -1.26 -5.10 113.62 111.72 2dl0 n SER 92 Ca -0.09 0.11 -0.29 0.00 -0.26 0.00 0.00 58.87 58.34 2dl0 n SER 92 Cb 0.51 0.89 0.18 0.00 -0.26 0.00 0.00 64.21 65.53 2dl0 n SER 92 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dl0 s GLY 93 N -2.10 1.58 0.46 5.00 0.00 -1.26 -4.93 107.32 106.06 2dl0 s GLY 93 Ca 0.00 -0.22 0.25 0.00 0.00 0.00 0.00 44.72 44.75 2dl0 s GLY 93 CO 0.00 0.38 1.89 -0.56 0.00 0.00 0.00 173.10 174.81 2dl0 h PRO 94 N -1.97 0.00 -7.09 2.90 0.13 -2.02 -3.44 132.00 120.51 2dl0 h PRO 94 Ca -0.54 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.06 2dl0 h PRO 94 Cb 1.32 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.56 2dl0 h PRO 94 CO 0.55 0.21 0.48 -1.12 -0.23 0.00 0.00 178.00 177.89 2dl0 s SER 95 N -6.19 5.21 -0.32 1.44 0.01 -1.26 -5.00 113.70 107.58 2dl0 s SER 95 Ca -0.00 2.41 -0.09 0.00 1.31 0.00 0.00 55.95 59.58 2dl0 s SER 95 Cb 0.11 -2.60 0.21 0.00 0.21 0.00 0.00 66.02 63.95 2dl0 s SER 95 CO 0.63 -1.58 1.11 -0.55 0.41 0.00 0.00 173.24 173.26 2dl0 s SER 96 N -1.55 -0.20 0.00 2.44 0.15 -1.26 -4.92 113.70 108.36 2dl0 s SER 96 Ca 0.77 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 57.40 2dl0 s SER 96 Cb -0.31 0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.39 2dl0 s SER 96 CO 0.34 -0.01 1.04 0.61 1.20 0.00 0.00 173.24 176.41