#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 3.71 -0.16 1.61 1.04 -1.26 -5.10 113.70 113.55 2dl0 s SER 2 Ca 0.00 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.42 2dl0 s SER 2 Cb 0.00 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.69 2dl0 s SER 2 CO 0.00 0.14 1.12 -0.44 0.98 0.00 0.00 173.24 175.04 2dl0 s SER 3 N -2.52 7.08 -0.25 7.02 0.01 -1.26 -5.01 113.70 118.78 2dl0 s SER 3 Ca 0.20 1.57 -0.03 0.00 1.31 0.00 0.00 55.95 59.00 2dl0 s SER 3 Cb -0.09 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.68 2dl0 s SER 3 CO 0.11 -0.64 0.09 -0.83 0.41 0.00 0.00 173.24 172.38 2dl0 s GLY 4 N 1.43 0.66 -0.34 3.44 0.00 -1.26 -5.07 107.32 106.18 2dl0 s GLY 4 Ca 0.50 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2dl0 s GLY 4 CO 0.13 1.73 0.32 -0.45 0.00 0.00 0.00 173.10 174.84 2dl0 s SER 5 N 1.93 1.63 -0.23 1.64 0.15 -1.26 -5.10 113.70 112.46 2dl0 s SER 5 Ca 0.05 -1.43 -0.03 0.00 0.70 0.00 0.00 55.95 55.24 2dl0 s SER 5 Cb -0.17 0.39 0.10 0.00 -1.71 0.00 0.00 66.02 64.63 2dl0 s SER 5 CO -0.22 -0.31 0.22 -0.55 1.20 0.00 0.00 173.24 173.58 2dl0 s SER 6 N 1.66 1.77 0.00 5.45 0.15 -1.26 -5.09 113.70 116.38 2dl0 s SER 6 Ca 0.15 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dl0 s SER 6 Cb -0.16 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2dl0 s SER 6 CO -0.12 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2dl0 n GLY 7 N 5.31 2.42 7.00 9.45 0.00 -1.26 -5.13 105.19 122.98 2dl0 n GLY 7 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 2.06 0.11 0.00 -0.02 0.00 -1.26 -5.06 105.19 101.02 2dl0 n GLY 8 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2dl0 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dl0 n GLY 9 N 0.00 -0.47 3.25 -0.02 0.00 -1.26 -5.14 105.19 101.55 2dl0 n GLY 9 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 2dl0 n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dl0 n LEU 10 N 0.00 -2.21 -0.16 0.99 4.77 -1.26 -4.82 117.00 114.31 2dl0 n LEU 10 Ca 0.00 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2dl0 n LEU 10 Cb 0.00 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 2dl0 n LEU 10 CO 0.00 -3.23 0.37 0.35 -1.33 0.00 0.00 177.39 173.55 2dl0 n THR 11 N -4.08 -0.27 -4.04 -5.08 -2.24 -1.26 -4.61 114.28 92.70 2dl0 n THR 11 Ca 0.01 1.50 -0.09 0.00 -2.27 0.00 0.00 64.05 63.20 2dl0 n THR 11 Cb 0.62 -1.91 -0.11 0.00 -2.10 0.00 0.00 70.33 66.83 2dl0 n THR 11 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2dl0 s GLU 12 N -4.22 0.46 -0.09 -0.78 1.03 -1.26 -5.16 118.70 108.69 2dl0 s GLU 12 Ca -0.05 -0.84 0.03 0.00 0.03 0.00 0.00 54.97 54.15 2dl0 s GLU 12 Cb 0.04 0.04 -0.01 0.00 -0.80 0.00 0.00 34.13 33.40 2dl0 s GLU 12 CO 0.24 -0.04 -0.20 0.42 -1.33 0.00 0.00 175.26 174.35 2dl0 s ILE 13 N -2.21 2.48 -0.32 1.83 -1.09 -1.26 -5.07 121.20 115.56 2dl0 s ILE 13 Ca -0.07 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 2dl0 s ILE 13 Cb -0.04 -1.97 0.19 0.00 -1.58 0.00 0.00 42.46 39.05 2dl0 s ILE 13 CO -0.03 0.56 0.96 0.00 -1.23 0.00 0.00 174.94 175.19 2dl0 n ARG 15 N 4.42 0.00 -4.44 0.00 5.12 -1.26 -5.17 116.66 115.33 2dl0 n ARG 15 Ca 0.08 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.69 2dl0 n ARG 15 Cb 0.60 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.79 2dl0 n ARG 15 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2dl0 s LYS 16 N 0.00 2.10 0.72 5.56 1.02 -1.26 -5.14 119.74 122.75 2dl0 s LYS 16 Ca 0.00 -0.99 -0.12 0.00 0.02 0.00 0.00 55.97 54.88 2dl0 s LYS 16 Cb 0.00 -2.25 0.18 0.00 -0.52 0.00 0.00 37.83 35.24 2dl0 s LYS 16 CO 0.00 0.53 0.64 -0.35 -0.92 0.00 0.00 175.35 175.25 2dl0 n PRO 17 N 1.18 -2.27 -4.87 -1.68 -0.04 -1.26 -5.06 135.00 121.00 2dl0 n PRO 17 Ca -0.15 -1.02 -0.33 0.00 -0.04 0.00 0.00 63.50 61.96 2dl0 n PRO 17 Cb 0.52 -0.96 -0.14 0.00 -0.04 0.00 0.00 33.50 32.88 2dl0 n PRO 17 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2dl0 s VAL 18 N -2.15 2.92 0.02 0.52 -7.23 -1.26 -5.12 120.40 108.10 2dl0 s VAL 18 Ca 0.41 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 2dl0 s VAL 18 Cb -0.04 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 2dl0 s VAL 18 CO 0.32 0.55 -0.10 -0.44 -0.31 0.00 0.00 175.10 175.11 2dl0 s SER 19 N 0.03 1.17 0.24 4.85 0.01 -1.26 -5.05 113.70 113.70 2dl0 s SER 19 Ca -0.05 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.87 2dl0 s SER 19 Cb -0.15 -0.07 0.29 0.00 0.21 0.00 0.00 66.02 66.30 2dl0 s SER 19 CO 0.04 0.00 1.61 1.55 0.41 0.00 0.00 173.24 176.86 2dl0 h PRO 20 N 5.23 0.42 0.00 12.44 0.13 -2.06 -3.47 132.00 144.69 2dl0 h PRO 20 Ca -0.34 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2dl0 h PRO 20 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dl0 h PRO 20 CO 0.45 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 179.42 2dl0 n GLY 21 N -0.01 1.94 3.23 1.56 0.00 -1.26 -5.13 105.19 105.52 2dl0 n GLY 21 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 5.36 -0.05 0.00 1.01 -1.26 -4.98 121.20 120.95 2dl0 s ILE 23 Ca 0.03 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 2dl0 s ILE 23 Cb -0.10 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2dl0 s ILE 23 CO 0.01 0.54 -0.05 -0.24 0.00 0.00 0.00 174.94 175.20 2dl0 n SER 24 N 2.67 1.88 -2.55 3.58 2.88 -1.26 -5.03 113.62 115.78 2dl0 n SER 24 Ca -0.18 0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 2dl0 n SER 24 Cb 0.54 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dl0 n SER 25 N -2.95 1.15 0.21 -3.46 7.64 -1.26 -4.88 113.62 110.08 2dl0 n SER 25 Ca -0.09 -1.95 -0.15 0.00 1.01 0.00 0.00 58.87 57.69 2dl0 n SER 25 Cb 0.58 0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 64.14 2dl0 n SER 25 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2dl0 h VAL 26 N 1.28 0.26 -0.72 0.44 2.07 -1.87 -2.64 116.25 115.08 2dl0 h VAL 26 Ca -0.14 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.50 2dl0 h VAL 26 Cb 0.53 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 2dl0 h VAL 26 CO 0.22 0.00 -0.35 0.28 0.02 0.00 0.00 177.57 177.75 2dl0 h SER 27 N -0.72 -1.23 -0.99 0.57 0.02 -1.92 0.62 113.55 109.89 2dl0 h SER 27 Ca -0.02 0.25 0.21 0.00 -0.84 0.00 0.00 61.79 61.39 2dl0 h SER 27 Cb 0.66 0.63 -0.10 0.00 0.14 0.00 0.00 62.40 63.73 2dl0 h SER 27 CO -0.08 -0.30 0.62 0.44 -1.14 0.00 0.00 176.83 176.37 2dl0 h ASP 28 N -0.11 0.65 -0.10 3.07 3.32 -1.90 0.38 116.42 121.74 2dl0 h ASP 28 Ca 0.27 0.08 -0.24 0.00 0.02 0.00 0.00 57.03 57.17 2dl0 h ASP 28 Cb 0.57 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.10 2dl0 h ASP 28 CO -0.78 0.22 -0.85 -0.25 -1.72 0.00 0.00 179.24 175.86 2dl0 h TRP 29 N 0.63 1.06 -0.31 4.55 7.01 0.42 -2.71 115.95 126.60 2dl0 h TRP 29 Ca 0.56 -0.50 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2dl0 h TRP 29 Cb 1.05 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 2dl0 h TRP 29 CO -0.00 1.33 0.13 -0.07 -2.79 0.00 0.00 178.44 177.04 2dl0 h LEU 30 N 0.50 0.38 -0.25 0.65 3.38 0.14 -2.02 115.31 118.08 2dl0 h LEU 30 Ca -0.07 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 2dl0 h LEU 30 Cb 1.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2dl0 h LEU 30 CO 0.17 0.35 -0.90 0.40 0.09 0.00 0.00 178.44 178.55 2dl0 h ILE 31 N 0.43 1.52 0.00 1.22 2.04 -1.10 0.16 117.51 121.78 2dl0 h ILE 31 Ca 0.11 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2dl0 h ILE 31 Cb 0.08 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2dl0 h ILE 31 CO -0.01 0.79 0.00 -0.24 0.00 0.00 0.00 178.15 178.69 2dl0 n SER 32 N -3.62 0.10 -0.00 1.72 2.88 -0.78 -2.30 113.62 111.61 2dl0 n SER 32 Ca -0.03 0.53 0.05 0.00 -1.33 0.00 0.00 58.87 58.09 2dl0 n SER 32 Cb 0.82 -0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 63.66 2dl0 n SER 32 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2dl0 n ILE 33 N -1.61 0.00 -0.63 2.46 -5.35 -1.09 -5.01 119.36 108.12 2dl0 n ILE 33 Ca 0.03 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2dl0 n ILE 33 Cb 0.17 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 1.78 1.37 2.61 3.28 0.00 -0.89 -5.01 105.19 108.33 2dl0 n GLY 34 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 2.44 0.00 0.99 4.77 0.52 -4.86 117.00 120.86 2dl0 n LEU 35 Ca 0.00 -3.89 0.07 0.00 -0.03 0.00 0.00 56.01 52.16 2dl0 n LEU 35 Cb 0.15 0.20 0.31 0.00 -2.33 0.00 0.00 43.42 41.75 2dl0 n LEU 35 CO 0.00 1.59 0.72 -0.81 -1.33 0.00 0.00 177.39 177.56 2dl0 n PRO 36 N -0.36 0.03 0.00 3.23 -0.04 -1.17 -2.61 135.00 134.08 2dl0 n PRO 36 Ca 0.18 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 2dl0 n PRO 36 Cb 0.80 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.47 0.01 -0.00 0.54 0.00 -1.26 -1.72 117.12 113.22 2dl0 n MET 37 Ca 0.04 0.27 0.08 0.00 0.00 0.00 0.00 57.70 58.09 2dl0 n MET 37 Cb 0.16 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.78 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 -1.49 0.00 -0.37 3.17 4.01 -1.07 -4.55 117.16 116.85 2dl0 n TYR 38 Ca 0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.72 2dl0 n TYR 38 Cb 0.15 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.49 -0.32 0.19 -0.72 0.00 -0.70 0.10 120.51 117.58 2dl0 n ALA 39 Ca 0.03 0.87 0.08 0.00 0.00 0.00 0.00 53.44 54.41 2dl0 n ALA 39 Cb 0.29 -0.29 0.27 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 0.75 0.00 0.00 -1.81 -2.53 103.07 99.47 2dl0 h GLY 40 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2dl0 h GLY 40 CO -0.90 0.00 -0.29 -0.84 0.00 0.00 0.00 176.54 174.51 2dl0 h THR 41 N 0.00 0.24 -0.44 4.70 2.02 0.42 -2.15 112.91 117.69 2dl0 h THR 41 Ca -0.00 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 2dl0 h THR 41 Cb 1.00 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2dl0 h THR 41 CO 0.04 0.03 -0.03 -0.07 0.37 0.00 0.00 175.52 175.86 2dl0 h LEU 42 N -1.07 0.79 -1.06 2.58 3.38 -0.91 -2.91 115.31 116.10 2dl0 h LEU 42 Ca -0.08 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.72 2dl0 h LEU 42 Cb 0.67 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2dl0 h LEU 42 CO 0.14 0.92 0.62 0.28 0.09 0.00 0.00 178.44 180.49 2dl0 h SER 43 N 0.64 0.82 -0.19 -0.43 0.02 -1.50 0.76 113.55 113.68 2dl0 h SER 43 Ca 0.12 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2dl0 h SER 43 Cb 0.54 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2dl0 h SER 43 CO 0.03 0.38 -0.19 0.74 -1.14 0.00 0.00 176.83 176.65 2dl0 h THR 44 N 0.85 1.26 0.00 -2.27 2.02 -1.20 -2.39 112.91 111.19 2dl0 h THR 44 Ca 0.52 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2dl0 h THR 44 Cb 0.70 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2dl0 h THR 44 CO -0.30 0.40 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2dl0 h ALA 45 N 1.24 1.00 0.00 6.16 0.00 -0.80 -3.46 119.26 123.41 2dl0 h ALA 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dl0 h ALA 45 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2dl0 h ALA 45 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2dl0 n GLY 46 N 0.29 1.14 3.56 0.00 0.00 -0.65 -5.06 105.19 104.46 2dl0 n GLY 46 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.36 1.55 -0.02 1.61 0.08 -0.09 -4.50 117.98 115.25 2dl0 s PHE 47 Ca 0.00 1.17 0.02 0.00 0.12 0.00 0.00 56.93 58.24 2dl0 s PHE 47 Cb 0.00 -3.80 -0.02 0.00 -0.57 0.00 0.00 43.02 38.63 2dl0 s PHE 47 CO 0.00 -1.61 0.01 -1.13 -0.10 0.00 0.00 175.22 172.39 2dl0 n SER 48 N 15.91 4.53 -4.91 1.36 3.41 -1.26 -3.54 113.62 129.12 2dl0 n SER 48 Ca 0.43 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.73 2dl0 n SER 48 Cb 0.46 0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 64.92 2dl0 n SER 48 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2dl0 s THR 49 N -2.05 5.23 -1.01 6.66 -4.23 -1.26 -4.40 115.64 114.58 2dl0 s THR 49 Ca -0.01 -0.14 0.28 0.00 -1.18 0.00 0.00 61.69 60.65 2dl0 s THR 49 Cb 0.01 -3.64 0.21 0.00 1.34 0.00 0.00 72.50 70.42 2dl0 s THR 49 CO 0.08 0.03 1.86 0.18 -0.54 0.00 0.00 174.62 176.23 2dl0 n LEU 50 N 0.02 0.07 0.23 4.79 4.77 -1.26 -3.34 117.00 122.28 2dl0 n LEU 50 Ca -0.03 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.47 2dl0 n LEU 50 Cb 0.52 -0.46 0.49 0.00 -2.33 0.00 0.00 43.42 41.64 2dl0 n LEU 50 CO 0.49 0.02 0.82 0.28 -1.33 0.00 0.00 177.39 177.68 2dl0 h SER 51 N 0.00 0.00 0.24 -1.43 0.02 -2.00 -2.59 113.55 107.79 2dl0 h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dl0 h SER 51 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2dl0 h SER 51 CO 0.00 0.21 -0.67 0.00 -1.14 0.00 0.00 176.83 175.24 2dl0 n GLN 52 N -3.42 0.18 0.42 3.45 10.64 -1.21 -4.37 117.38 123.08 2dl0 n GLN 52 Ca -0.00 -0.13 -0.18 0.00 -1.83 0.00 0.00 57.00 54.86 2dl0 n GLN 52 Cb 0.41 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.20 2dl0 n GLN 52 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2dl0 h VAL 53 N 0.32 0.15 0.00 -0.39 2.07 -1.58 -2.59 116.25 114.23 2dl0 h VAL 53 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2dl0 h VAL 53 Cb 0.52 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2dl0 h VAL 53 CO 0.00 0.01 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2dl0 n PRO 54 N -5.52 0.49 -0.23 1.57 -0.04 -1.25 -2.05 135.00 127.97 2dl0 n PRO 54 Ca -0.14 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2dl0 n PRO 54 Cb 0.43 -1.36 0.19 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.86 3.02 -3.20 3.54 2.88 -0.99 -4.39 113.62 113.62 2dl0 n SER 55 Ca 0.09 -2.99 -0.12 0.00 -1.33 0.00 0.00 58.87 54.51 2dl0 n SER 55 Cb 0.04 -0.46 0.12 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.95 0.00 -3.65 2.46 4.77 -0.87 -5.03 117.00 113.74 2dl0 n LEU 56 Ca 0.18 -0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 55.77 2dl0 n LEU 56 Cb 0.73 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2dl0 n LEU 56 CO 0.07 -2.06 0.93 -0.55 -1.33 0.00 0.00 177.39 174.46 2dl0 s SER 57 N -2.16 -0.24 0.32 -1.43 0.15 -1.26 -4.96 113.70 104.12 2dl0 s SER 57 Ca 0.27 0.44 0.10 0.00 0.70 0.00 0.00 55.95 57.45 2dl0 s SER 57 Cb -0.05 0.69 0.99 0.00 -1.71 0.00 0.00 66.02 65.94 2dl0 s SER 57 CO 0.22 -0.07 1.51 1.57 1.20 0.00 0.00 173.24 177.68 2dl0 n HIS 58 N 2.43 0.84 -0.06 3.44 -0.00 -1.26 0.18 115.22 120.80 2dl0 n HIS 58 Ca -0.14 1.15 -0.10 0.00 0.46 0.00 0.00 57.72 59.09 2dl0 n HIS 58 Cb 0.57 -1.37 0.05 0.00 -0.12 0.00 0.00 29.99 29.11 2dl0 n HIS 58 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dl0 h THR 59 N 0.00 1.29 0.12 3.57 2.02 -1.98 -2.20 112.91 115.73 2dl0 h THR 59 Ca 0.69 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 66.31 2dl0 h THR 59 Cb 1.64 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 2dl0 h THR 59 CO -0.83 0.51 -0.33 0.00 0.37 0.00 0.00 175.52 175.24 2dl0 h LEU 61 N -0.56 0.77 -2.36 0.00 3.38 -1.44 -2.24 115.31 112.86 2dl0 h LEU 61 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2dl0 h LEU 61 Cb 0.59 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2dl0 h LEU 61 CO -0.19 0.82 0.01 1.56 0.09 0.00 0.00 178.44 180.73 2dl0 h GLN 62 N 0.75 0.00 0.03 1.13 1.08 -0.81 -0.72 115.11 116.57 2dl0 h GLN 62 Ca 0.15 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.12 2dl0 h GLN 62 Cb 0.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2dl0 h GLN 62 CO 0.02 0.00 -1.04 0.93 -0.95 0.00 0.00 178.83 177.79 2dl0 h GLU 63 N 0.00 0.08 0.00 1.46 5.08 -0.60 -3.22 114.58 117.38 2dl0 h GLU 63 Ca 0.01 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2dl0 h GLU 63 Cb 0.04 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2dl0 h GLU 63 CO -0.00 1.04 -0.13 0.00 -1.00 0.00 0.00 179.01 178.92 2dl0 h ALA 64 N 0.91 0.97 0.00 3.43 0.00 -1.04 -3.46 119.26 120.06 2dl0 h ALA 64 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dl0 h ALA 64 Cb 1.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2dl0 h ALA 64 CO 0.15 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2dl0 n GLY 65 N 0.49 1.08 3.66 0.00 0.00 -0.89 -4.96 105.19 104.58 2dl0 n GLY 65 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.90 4.48 0.00 -0.61 1.01 -0.66 -4.85 121.20 118.67 2dl0 s ILE 66 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.44 2dl0 s ILE 66 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2dl0 s ILE 66 CO 0.00 -0.16 0.00 0.35 0.00 0.00 0.00 174.94 175.13 2dl0 n THR 67 N 5.36 0.00 -1.53 2.92 -2.24 -1.26 -3.63 114.28 113.89 2dl0 n THR 67 Ca 0.13 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 2dl0 n THR 67 Cb 0.45 -0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 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 -2.02 0.33 0.30 -0.78 0.00 -1.26 -4.68 120.64 112.52 2dl0 n GLU 68 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 57.16 56.84 2dl0 n GLU 68 Cb 0.50 -2.46 0.45 0.00 0.00 0.00 0.00 31.44 29.92 2dl0 n GLU 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dl0 h GLU 69 N 12.35 0.00 -0.12 3.44 4.81 -1.98 0.86 114.58 133.94 2dl0 h GLU 69 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2dl0 h GLU 69 Cb 1.08 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.47 2dl0 h GLU 69 CO 1.29 0.00 -0.78 -0.09 -0.73 0.00 0.00 179.01 178.70 2dl0 h ARG 70 N 0.00 0.68 0.10 1.92 2.43 -2.01 -2.70 114.38 114.80 2dl0 h ARG 70 Ca 0.03 -0.57 -0.30 0.00 -0.81 0.00 0.00 59.98 58.33 2dl0 h ARG 70 Cb 1.37 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 2dl0 h ARG 70 CO -0.00 1.18 -1.52 0.45 -1.51 0.00 0.00 179.97 178.57 2dl0 h HIS 71 N 0.46 0.37 -0.74 2.20 3.86 0.30 -3.21 115.15 118.40 2dl0 h HIS 71 Ca -0.05 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 2dl0 h HIS 71 Cb 1.40 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.82 2dl0 h HIS 71 CO 0.08 1.33 0.41 0.82 0.86 0.00 0.00 177.93 181.43 2dl0 h ILE 72 N 0.06 1.22 -0.52 2.45 2.04 -1.18 -1.14 117.51 120.45 2dl0 h ILE 72 Ca -0.24 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.96 2dl0 h ILE 72 Cb 2.00 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2dl0 h ILE 72 CO 0.15 0.24 -0.15 0.03 0.00 0.00 0.00 178.15 178.43 2dl0 h ARG 73 N 1.02 1.01 -0.63 2.37 3.08 -1.61 -1.06 114.38 118.57 2dl0 h ARG 73 Ca 0.26 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 2dl0 h ARG 73 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2dl0 h ARG 73 CO -0.04 1.07 0.14 -0.22 -1.07 0.00 0.00 179.97 179.85 2dl0 h LYS 74 N 0.89 0.99 -0.04 0.04 3.64 -1.48 -0.17 116.57 120.43 2dl0 h LYS 74 Ca 0.13 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 2dl0 h LYS 74 Cb 0.72 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2dl0 h LYS 74 CO 0.05 0.89 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.97 2dl0 h LEU 75 N 0.94 0.15 -1.46 5.20 3.38 -1.07 -0.17 115.31 122.28 2dl0 h LEU 75 Ca 0.20 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2dl0 h LEU 75 Cb 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2dl0 h LEU 75 CO 0.00 0.68 0.16 -0.07 0.09 0.00 0.00 178.44 179.30 2dl0 h LEU 76 N -0.38 0.46 -0.07 1.67 3.38 -1.12 0.31 115.31 119.56 2dl0 h LEU 76 Ca 0.00 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2dl0 h LEU 76 Cb 0.65 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dl0 h LEU 76 CO 0.02 0.42 -1.02 -1.28 0.09 0.00 0.00 178.44 176.66 2dl0 h SER 77 N 0.52 0.20 1.67 -0.43 0.87 -1.01 -2.58 113.55 112.79 2dl0 h SER 77 Ca 0.13 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 2dl0 h SER 77 Cb 0.09 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2dl0 h SER 77 CO -0.02 1.10 -0.34 0.00 -0.53 0.00 0.00 176.83 177.04 2dl0 h ALA 78 N 0.88 0.81 0.03 6.23 0.00 -0.38 -3.16 119.26 123.67 2dl0 h ALA 78 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2dl0 h ALA 78 Cb 1.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2dl0 h ALA 78 CO 0.15 0.33 -0.32 0.00 0.00 0.00 0.00 179.25 179.41 2dl0 h ALA 79 N 1.74 0.01 0.00 0.00 0.00 -0.42 -3.19 119.26 117.40 2dl0 h ALA 79 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2dl0 h ALA 79 Cb 1.21 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dl0 h ALA 79 CO 0.03 0.16 0.00 0.07 0.00 0.00 0.00 179.25 179.52 2dl0 h ARG 80 N -0.84 0.00 -0.50 0.00 0.11 -1.58 0.39 114.38 111.97 2dl0 h ARG 80 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2dl0 h ARG 80 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2dl0 h ARG 80 CO 0.02 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.37 2dl0 n LEU 81 N -2.88 3.33 -4.49 0.08 4.77 -1.19 -4.84 117.00 111.78 2dl0 n LEU 81 Ca -0.02 -1.54 -0.43 0.00 -0.03 0.00 0.00 56.01 53.99 2dl0 n LEU 81 Cb 0.13 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2dl0 n LEU 81 CO 0.20 0.77 0.84 0.12 -1.33 0.00 0.00 177.39 177.99 2dl0 s PHE 82 N -1.35 2.62 -0.56 -1.77 5.36 0.13 -4.99 117.98 117.41 2dl0 s PHE 82 Ca 0.41 -0.33 -0.21 0.00 -0.96 0.00 0.00 56.93 55.84 2dl0 s PHE 82 Cb 0.22 -4.32 0.07 0.00 -0.34 0.00 0.00 43.02 38.65 2dl0 s PHE 82 CO 0.30 -1.67 0.77 0.15 -1.46 0.00 0.00 175.22 173.31 2dl0 s LYS 83 N 4.38 3.15 0.39 10.12 1.02 -1.26 -4.83 119.74 132.71 2dl0 s LYS 83 Ca 0.27 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 2dl0 s LYS 83 Cb -0.14 -4.15 -0.09 0.00 -0.52 0.00 0.00 37.83 32.93 2dl0 s LYS 83 CO 0.13 -1.46 1.06 -0.51 -0.92 0.00 0.00 175.35 173.65 2dl0 s LEU 84 N 3.18 4.17 0.55 3.17 1.43 -1.26 -5.02 118.68 124.90 2dl0 s LEU 84 Ca 0.19 2.07 -0.19 0.00 -1.03 0.00 0.00 54.13 55.16 2dl0 s LEU 84 Cb -0.18 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 2dl0 s LEU 84 CO 0.12 -0.48 1.13 -2.16 0.23 0.00 0.00 176.35 175.19 2dl0 s PRO 85 N -2.42 3.32 0.50 1.29 0.04 -1.26 -5.01 135.00 131.46 2dl0 s PRO 85 Ca 0.57 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 2dl0 s PRO 85 Cb -0.23 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2dl0 s PRO 85 CO 0.29 -0.87 1.15 -1.25 0.04 0.00 0.00 177.00 176.35 2dl0 s PRO 86 N -3.35 3.56 0.00 0.56 0.04 -1.26 -5.05 135.00 129.50 2dl0 s PRO 86 Ca 0.72 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2dl0 s PRO 86 Cb -0.24 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2dl0 s PRO 86 CO 0.28 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2dl0 n GLY 87 N 0.30 4.22 0.00 0.56 0.00 -1.26 -4.95 105.19 104.06 2dl0 n GLY 87 Ca 0.09 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 0.49 0.13 1.61 -0.04 -1.26 -3.31 135.00 132.63 2dl0 n PRO 88 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2dl0 n PRO 88 Cb 0.00 -1.41 0.49 0.00 -0.04 0.00 0.00 33.50 32.54 2dl0 n PRO 88 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dl0 n GLU 89 N -0.91 0.11 -3.68 0.54 2.13 -1.26 -4.45 120.64 113.12 2dl0 n GLU 89 Ca 0.10 0.61 -0.36 0.00 0.66 0.00 0.00 57.16 58.17 2dl0 n GLU 89 Cb 0.04 -1.88 -0.09 0.00 0.27 0.00 0.00 31.44 29.78 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dl0 s ALA 90 N -3.45 3.62 0.17 4.31 0.00 -1.21 -5.09 121.76 120.11 2dl0 s ALA 90 Ca -0.02 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.18 2dl0 s ALA 90 Cb 0.05 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2dl0 s ALA 90 CO 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 175.76 175.76 2dl0 s MET 91 N 0.88 2.20 0.25 0.00 0.23 -1.26 -5.07 119.30 116.52 2dl0 s MET 91 Ca 0.08 -1.18 -0.25 0.00 -1.03 0.00 0.00 55.69 53.30 2dl0 s MET 91 Cb -0.13 -2.25 -0.16 0.00 -1.53 0.00 0.00 34.83 30.76 2dl0 s MET 91 CO 0.03 0.45 0.39 0.45 -2.03 0.00 0.00 175.02 174.30 2dl0 n SER 92 N 0.04 -1.69 0.00 -1.18 2.88 -1.26 -4.96 113.62 107.45 2dl0 n SER 92 Ca -0.11 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2dl0 n SER 92 Cb 0.55 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2dl0 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl0 n GLY 93 N 2.06 1.74 0.08 0.46 0.00 -1.26 -4.56 105.19 103.70 2dl0 n GLY 93 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2dl0 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl0 n PRO 94 N 0.00 0.11 -3.42 1.61 -0.04 -1.26 -4.87 135.00 127.13 2dl0 n PRO 94 Ca 0.00 0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 63.58 2dl0 n PRO 94 Cb 0.00 -1.72 -0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2dl0 n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dl0 n SER 95 N -1.94 -3.85 -1.80 3.54 2.88 -1.26 -3.71 113.62 107.48 2dl0 n SER 95 Ca 0.03 -0.44 -0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2dl0 n SER 95 Cb 0.20 -3.17 -0.00 0.00 -0.75 0.00 0.00 64.21 60.49 2dl0 n SER 95 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dl0 n SER 96 N -2.34 -2.90 0.00 -3.46 2.88 -1.26 -5.19 113.62 101.35 2dl0 n SER 96 Ca -0.01 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2dl0 n SER 96 Cb 0.54 -2.12 0.00 0.00 -0.75 0.00 0.00 64.21 61.88 2dl0 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42