#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl0 n SER 2 N 0.00 0.00 -1.49 1.61 2.88 -1.26 -5.00 113.62 110.36 2dl0 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dl0 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2dl0 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dl0 n SER 3 N 0.00 -8.02 -0.09 -3.46 2.88 -1.26 -4.91 113.62 98.76 2dl0 n SER 3 Ca 0.00 1.72 -0.17 0.00 -1.33 0.00 0.00 58.87 59.10 2dl0 n SER 3 Cb 0.00 -4.73 -0.08 0.00 -0.75 0.00 0.00 64.21 58.65 2dl0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl0 n GLY 4 N -2.40 -0.87 3.60 0.46 0.00 -1.26 -4.69 105.19 100.03 2dl0 n GLY 4 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -6.51 6.30 -0.29 1.61 0.15 -1.26 -4.94 113.70 108.76 2dl0 s SER 5 Ca -0.25 0.86 -0.25 0.00 0.70 0.00 0.00 55.95 57.01 2dl0 s SER 5 Cb 0.05 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.96 2dl0 s SER 5 CO 0.47 -1.46 1.16 -0.94 1.20 0.00 0.00 173.24 173.67 2dl0 s SER 6 N 4.12 -0.32 0.39 5.45 1.04 -1.26 -5.15 113.70 117.96 2dl0 s SER 6 Ca 0.63 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2dl0 s SER 6 Cb -0.14 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dl0 s SER 6 CO 0.33 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2dl0 n GLY 7 N 1.99 0.50 0.00 7.32 0.00 -1.26 -5.02 105.19 108.72 2dl0 n GLY 7 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.47 0.00 -0.02 0.00 -1.26 -5.18 105.19 98.27 2dl0 n GLY 8 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.56 1.62 -0.02 0.00 -1.26 -5.07 105.19 99.90 2dl0 n GLY 9 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2dl0 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dl0 n LEU 10 N 0.00 -3.16 -3.45 0.99 7.94 -1.26 -5.10 117.00 112.97 2dl0 n LEU 10 Ca 0.00 0.81 -0.46 0.00 -1.11 0.00 0.00 56.01 55.25 2dl0 n LEU 10 Cb 0.00 3.05 -0.10 0.00 0.53 0.00 0.00 43.42 46.90 2dl0 n LEU 10 CO 0.00 0.24 1.45 0.41 -1.11 0.00 0.00 177.39 178.38 2dl0 n THR 11 N -3.34 0.00 -3.31 1.96 -1.04 -1.26 -4.87 114.28 102.43 2dl0 n THR 11 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2dl0 n THR 11 Cb 0.00 -0.40 -0.06 0.00 -1.82 0.00 0.00 70.33 68.05 2dl0 n THR 11 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dl0 s GLU 12 N 5.18 4.07 -0.14 -2.82 2.02 -1.26 -5.08 118.70 120.67 2dl0 s GLU 12 Ca 0.98 0.60 -0.05 0.00 0.02 0.00 0.00 54.97 56.52 2dl0 s GLU 12 Cb -1.18 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 2dl0 s GLU 12 CO 0.51 0.52 0.05 0.42 0.02 0.00 0.00 175.26 176.78 2dl0 s ILE 13 N -1.37 4.72 -1.15 -1.63 -1.09 -1.26 -5.03 121.20 114.39 2dl0 s ILE 13 Ca 0.36 -0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.49 2dl0 s ILE 13 Cb -0.16 -3.07 0.04 0.00 -1.58 0.00 0.00 42.46 37.68 2dl0 s ILE 13 CO 0.19 0.53 1.66 0.00 -1.23 0.00 0.00 174.94 176.09 2dl0 s ARG 15 N 4.92 0.38 0.32 0.00 6.06 -1.26 -5.17 118.95 124.20 2dl0 s ARG 15 Ca 0.53 0.56 -0.09 0.00 -2.50 0.00 0.00 55.73 54.24 2dl0 s ARG 15 Cb 0.01 0.13 -0.06 0.00 0.06 0.00 0.00 34.95 35.08 2dl0 s ARG 15 CO 0.01 -0.06 0.64 0.15 -2.50 0.00 0.00 175.30 173.54 2dl0 s LYS 16 N 0.84 3.75 0.51 5.12 1.02 -1.26 -5.06 119.74 124.65 2dl0 s LYS 16 Ca -0.03 0.28 -0.21 0.00 0.02 0.00 0.00 55.97 56.03 2dl0 s LYS 16 Cb -0.04 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 2dl0 s LYS 16 CO -0.12 0.14 1.14 -1.25 -0.92 0.00 0.00 175.35 174.35 2dl0 s PRO 17 N -3.46 3.53 -0.19 -1.68 0.04 -1.26 -5.05 135.00 126.93 2dl0 s PRO 17 Ca 0.48 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 63.20 2dl0 s PRO 17 Cb -0.11 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2dl0 s PRO 17 CO 0.27 -0.72 -0.04 0.08 0.04 0.00 0.00 177.00 176.63 2dl0 s VAL 18 N -1.68 1.18 -0.01 -0.36 1.01 -1.26 -5.13 120.40 114.16 2dl0 s VAL 18 Ca 0.69 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2dl0 s VAL 18 Cb -0.26 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2dl0 s VAL 18 CO 0.30 0.00 -0.03 -0.94 0.00 0.00 0.00 175.10 174.43 2dl0 s SER 19 N 1.58 4.90 0.00 3.32 1.04 -1.26 -4.99 113.70 118.29 2dl0 s SER 19 Ca -0.02 -0.05 0.11 0.00 0.48 0.00 0.00 55.95 56.47 2dl0 s SER 19 Cb -0.17 -1.23 0.65 0.00 0.10 0.00 0.00 66.02 65.37 2dl0 s SER 19 CO -0.07 0.29 1.09 -0.81 0.98 0.00 0.00 173.24 174.72 2dl0 n PRO 20 N 1.56 0.49 0.00 4.02 -0.04 -1.26 -4.69 135.00 135.08 2dl0 n PRO 20 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2dl0 n PRO 20 Cb 0.53 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2dl0 n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dl0 n GLY 21 N -0.02 1.52 3.70 0.55 0.00 -1.26 -5.13 105.19 104.57 2dl0 n GLY 21 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2dl0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dl0 n ILE 23 N -0.28 0.00 -0.10 0.00 5.41 -1.26 -4.81 119.36 118.32 2dl0 n ILE 23 Ca -0.09 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.50 2dl0 n ILE 23 Cb 0.55 -0.35 -0.08 0.00 -0.71 0.00 0.00 39.64 39.05 2dl0 n ILE 23 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dl0 n SER 24 N 4.00 2.18 -3.33 4.38 2.88 -1.26 -5.00 113.62 117.46 2dl0 n SER 24 Ca 0.30 0.01 -0.20 0.00 -1.33 0.00 0.00 58.87 57.65 2dl0 n SER 24 Cb -0.04 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dl0 n SER 25 N -3.33 0.64 -0.06 -3.46 3.41 -1.26 -4.79 113.62 104.77 2dl0 n SER 25 Ca -0.36 -2.86 -0.07 0.00 -0.26 0.00 0.00 58.87 55.32 2dl0 n SER 25 Cb 0.84 1.05 -0.01 0.00 -0.26 0.00 0.00 64.21 65.83 2dl0 n SER 25 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2dl0 h VAL 26 N 1.68 0.52 -0.19 -3.33 2.07 -1.83 -2.21 116.25 112.96 2dl0 h VAL 26 Ca -0.25 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2dl0 h VAL 26 Cb 1.03 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 2dl0 h VAL 26 CO 0.39 0.00 -0.47 0.77 0.02 0.00 0.00 177.57 178.28 2dl0 h SER 27 N -0.14 -1.48 -0.82 0.57 4.64 -1.91 0.51 113.55 114.91 2dl0 h SER 27 Ca 0.14 0.19 0.24 0.00 -0.47 0.00 0.00 61.79 61.90 2dl0 h SER 27 Cb 0.36 0.60 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 2dl0 h SER 27 CO -0.35 -0.43 0.61 0.44 -0.87 0.00 0.00 176.83 176.22 2dl0 h ASP 28 N -0.49 0.00 0.42 4.97 5.19 -1.88 0.21 116.42 124.84 2dl0 h ASP 28 Ca 0.07 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.17 2dl0 h ASP 28 Cb 0.64 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.16 2dl0 h ASP 28 CO -0.45 0.00 -1.46 -0.25 -3.12 0.00 0.00 179.24 173.96 2dl0 h TRP 29 N 0.00 0.66 -0.03 4.55 7.01 0.06 -2.75 115.95 125.45 2dl0 h TRP 29 Ca 0.39 -0.48 -0.10 0.00 2.11 0.00 0.00 58.89 60.80 2dl0 h TRP 29 Cb 1.61 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.63 2dl0 h TRP 29 CO 0.00 1.45 -0.46 -0.07 -2.79 0.00 0.00 178.44 176.57 2dl0 h LEU 30 N 0.10 0.07 0.05 0.65 3.38 0.27 -2.93 115.31 116.91 2dl0 h LEU 30 Ca -0.23 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.46 2dl0 h LEU 30 Cb 2.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 2dl0 h LEU 30 CO 0.21 0.53 -1.13 0.40 0.09 0.00 0.00 178.44 178.54 2dl0 h ILE 31 N 0.06 1.57 0.00 1.22 2.04 -0.94 0.12 117.51 121.59 2dl0 h ILE 31 Ca 0.00 -3.15 0.00 0.00 1.00 0.00 0.00 64.86 62.71 2dl0 h ILE 31 Cb 0.84 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2dl0 h ILE 31 CO 0.06 0.91 0.00 -0.24 0.00 0.00 0.00 178.15 178.89 2dl0 n SER 32 N -3.48 0.34 -0.01 1.72 2.88 -1.04 -2.41 113.62 111.62 2dl0 n SER 32 Ca -0.05 0.58 0.09 0.00 -1.33 0.00 0.00 58.87 58.15 2dl0 n SER 32 Cb 0.98 -0.65 -0.13 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 -1.86 0.00 -0.32 2.46 -5.35 -1.12 -5.00 119.36 108.16 2dl0 n ILE 33 Ca 0.03 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2dl0 n ILE 33 Cb 0.22 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 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 1.52 1.05 2.54 3.28 0.00 -1.01 -5.01 105.19 107.57 2dl0 n GLY 34 Ca -0.03 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 3.07 0.00 0.99 4.77 0.40 -4.85 117.00 121.38 2dl0 n LEU 35 Ca 0.00 -4.32 0.07 0.00 -0.03 0.00 0.00 56.01 51.73 2dl0 n LEU 35 Cb 0.04 0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.48 2dl0 n LEU 35 CO 0.00 1.82 0.71 -0.81 -1.33 0.00 0.00 177.39 177.78 2dl0 n PRO 36 N -0.35 0.12 0.00 3.23 -0.04 -1.08 -2.67 135.00 134.21 2dl0 n PRO 36 Ca 0.24 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.97 2dl0 n PRO 36 Cb 0.77 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.37 0.31 -0.00 0.54 0.00 -1.26 -2.07 117.12 113.27 2dl0 n MET 37 Ca 0.06 0.10 0.06 0.00 0.00 0.00 0.00 57.70 57.91 2dl0 n MET 37 Cb 0.14 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.77 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 -1.21 0.00 -0.27 3.17 4.01 -1.09 -4.59 117.16 117.18 2dl0 n TYR 38 Ca 0.09 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.76 2dl0 n TYR 38 Cb 0.11 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.75 -0.42 0.24 -0.72 0.00 -0.88 0.17 120.51 117.16 2dl0 n ALA 39 Ca -0.01 0.55 0.11 0.00 0.00 0.00 0.00 53.44 54.10 2dl0 n ALA 39 Cb 0.29 -0.02 0.54 0.00 0.00 0.00 0.00 19.45 20.26 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 0.64 0.00 0.00 -1.84 -1.26 103.07 100.62 2dl0 h GLY 40 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2dl0 h GLY 40 CO -0.61 0.00 -0.30 -0.84 0.00 0.00 0.00 176.54 174.79 2dl0 h THR 41 N 0.00 0.02 -0.41 4.70 2.02 0.15 -2.60 112.91 116.80 2dl0 h THR 41 Ca -0.00 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 2dl0 h THR 41 Cb 0.64 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2dl0 h THR 41 CO 0.02 0.00 -0.20 -0.07 0.37 0.00 0.00 175.52 175.65 2dl0 h LEU 42 N -1.22 0.88 -1.72 2.58 3.38 -0.65 -2.87 115.31 115.68 2dl0 h LEU 42 Ca -0.09 -0.40 0.18 0.00 0.09 0.00 0.00 57.88 57.65 2dl0 h LEU 42 Cb 0.66 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2dl0 h LEU 42 CO 0.14 1.09 0.51 0.28 0.09 0.00 0.00 178.44 180.55 2dl0 h SER 43 N 0.67 0.25 0.36 -0.43 0.02 -1.25 0.98 113.55 114.16 2dl0 h SER 43 Ca 0.09 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 2dl0 h SER 43 Cb 0.76 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2dl0 h SER 43 CO 0.06 0.12 -1.00 0.74 -1.14 0.00 0.00 176.83 175.61 2dl0 h THR 44 N 0.26 1.41 0.00 -2.27 2.02 -1.25 -3.10 112.91 109.98 2dl0 h THR 44 Ca 0.37 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 65.03 2dl0 h THR 44 Cb 1.07 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 2dl0 h THR 44 CO -0.09 0.75 0.00 0.00 0.37 0.00 0.00 175.52 176.55 2dl0 n ALA 45 N -2.55 1.71 0.00 6.16 0.00 0.09 -4.82 120.51 121.11 2dl0 n ALA 45 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2dl0 n ALA 45 Cb 0.87 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2dl0 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dl0 n GLY 46 N 0.10 1.37 3.58 0.00 0.00 -0.75 -5.05 105.19 104.44 2dl0 n GLY 46 Ca 0.03 0.00 -0.29 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 -1.75 1.97 -0.02 1.61 0.40 0.11 -4.46 117.98 115.84 2dl0 s PHE 47 Ca 0.00 0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.79 2dl0 s PHE 47 Cb 0.00 -4.05 -0.12 0.00 0.51 0.00 0.00 43.02 39.36 2dl0 s PHE 47 CO 0.00 -1.34 0.15 -1.13 0.70 0.00 0.00 175.22 173.60 2dl0 n SER 48 N 13.96 3.14 -4.83 1.36 3.41 -1.26 -3.43 113.62 125.96 2dl0 n SER 48 Ca 0.44 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.74 2dl0 n SER 48 Cb 0.47 1.26 -0.06 0.00 -0.26 0.00 0.00 64.21 65.62 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 -2.50 4.84 -1.74 6.66 -4.23 -1.26 -4.40 115.64 113.01 2dl0 s THR 49 Ca -0.03 -0.62 0.28 0.00 -1.18 0.00 0.00 61.69 60.14 2dl0 s THR 49 Cb 0.05 -3.34 0.67 0.00 1.34 0.00 0.00 72.50 71.21 2dl0 s THR 49 CO 0.33 0.14 2.00 0.18 -0.54 0.00 0.00 174.62 176.73 2dl0 n LEU 50 N 0.41 0.00 0.05 4.79 4.77 -1.26 -3.26 117.00 122.50 2dl0 n LEU 50 Ca -0.07 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2dl0 n LEU 50 Cb 0.51 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2dl0 n LEU 50 CO 0.47 -0.01 0.22 -1.28 -1.33 0.00 0.00 177.39 175.45 2dl0 h SER 51 N 0.00 0.62 1.14 -1.43 0.87 -1.98 -3.09 113.55 109.68 2dl0 h SER 51 Ca 0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2dl0 h SER 51 Cb 0.11 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2dl0 h SER 51 CO 0.00 1.25 -0.04 0.00 -0.53 0.00 0.00 176.83 177.51 2dl0 n GLN 52 N -3.80 0.10 0.37 2.24 6.02 -1.20 -3.94 117.38 117.17 2dl0 n GLN 52 Ca -0.07 0.08 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 2dl0 n GLN 52 Cb 0.80 -1.62 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 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 0.17 0.00 5.09 2.07 -1.66 -2.07 116.25 119.85 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 0.59 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 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 -5.55 0.36 -0.34 1.57 -0.04 -1.25 -1.95 135.00 127.79 2dl0 n PRO 54 Ca -0.13 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 2dl0 n PRO 54 Cb 0.43 -1.50 0.24 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 -1.14 3.63 -3.69 3.54 2.88 -0.80 -4.55 113.62 113.49 2dl0 n SER 55 Ca 0.09 -2.24 -0.22 0.00 -1.33 0.00 0.00 58.87 55.18 2dl0 n SER 55 Cb 0.08 -0.39 0.16 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.68 -1.44 -3.63 2.46 4.77 -0.83 -5.05 117.00 113.97 2dl0 n LEU 56 Ca 0.18 -0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 55.71 2dl0 n LEU 56 Cb 0.62 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 2dl0 n LEU 56 CO 0.14 -3.33 0.89 -0.55 -1.33 0.00 0.00 177.39 173.21 2dl0 s SER 57 N -2.04 -0.30 0.25 -1.43 0.15 -1.26 -4.97 113.70 104.11 2dl0 s SER 57 Ca 0.42 0.50 -0.09 0.00 0.70 0.00 0.00 55.95 57.49 2dl0 s SER 57 Cb -0.07 0.49 0.41 0.00 -1.71 0.00 0.00 66.02 65.13 2dl0 s SER 57 CO 0.41 -0.15 1.60 -0.74 1.20 0.00 0.00 173.24 175.57 2dl0 h HIS 58 N 3.39 -0.29 -0.19 3.44 2.76 -1.97 0.39 115.15 122.68 2dl0 h HIS 58 Ca -0.24 0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 57.86 2dl0 h HIS 58 Cb 1.18 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 2dl0 h HIS 58 CO 0.28 -0.33 -0.49 1.15 -1.30 0.00 0.00 177.93 177.24 2dl0 h THR 59 N 0.03 1.32 -0.67 6.26 2.02 -1.98 -2.36 112.91 117.52 2dl0 h THR 59 Ca 0.41 -1.70 0.05 0.00 0.77 0.00 0.00 66.41 65.94 2dl0 h THR 59 Cb 0.69 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.75 2dl0 h THR 59 CO -0.80 0.53 0.39 0.00 0.37 0.00 0.00 175.52 176.01 2dl0 h LEU 61 N 0.73 0.75 -1.54 0.00 3.38 -1.08 -3.14 115.31 114.42 2dl0 h LEU 61 Ca 0.29 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2dl0 h LEU 61 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2dl0 h LEU 61 CO -0.16 1.26 0.24 1.56 0.09 0.00 0.00 178.44 181.44 2dl0 h GLN 62 N 0.44 0.55 -0.74 1.13 4.20 -0.89 -2.01 115.11 117.79 2dl0 h GLN 62 Ca -0.04 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2dl0 h GLN 62 Cb 1.36 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 2dl0 h GLN 62 CO 0.14 0.39 0.30 0.93 -0.67 0.00 0.00 178.83 179.93 2dl0 h GLU 63 N 0.56 1.11 -0.13 1.46 5.08 -1.14 -2.48 114.58 119.04 2dl0 h GLU 63 Ca 0.15 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2dl0 h GLU 63 Cb -0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2dl0 h GLU 63 CO -0.03 0.91 -0.23 0.00 -1.00 0.00 0.00 179.01 178.66 2dl0 h ALA 64 N 1.15 1.37 0.00 3.43 0.00 -1.42 -3.46 119.26 120.33 2dl0 h ALA 64 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dl0 h ALA 64 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dl0 h ALA 64 CO -0.02 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2dl0 n GLY 65 N -0.63 0.43 3.67 0.00 0.00 -0.93 -5.02 105.19 102.71 2dl0 n GLY 65 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.62 4.08 0.00 -0.61 1.01 -0.85 -4.85 121.20 119.36 2dl0 s ILE 66 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2dl0 s ILE 66 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2dl0 s ILE 66 CO 0.00 -0.09 0.00 0.35 0.00 0.00 0.00 174.94 175.20 2dl0 n THR 67 N 5.21 0.00 -1.55 2.92 -2.24 -1.26 -3.51 114.28 113.84 2dl0 n THR 67 Ca 0.14 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 2dl0 n THR 67 Cb 0.44 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.50 0.71 0.04 -0.78 0.00 -1.26 -4.75 120.64 113.10 2dl0 n GLU 68 Ca 0.00 -0.37 0.22 0.00 0.00 0.00 0.00 57.16 57.00 2dl0 n GLU 68 Cb 0.09 -3.30 0.67 0.00 0.00 0.00 0.00 31.44 28.91 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 15.70 0.00 -0.12 3.44 4.81 -1.98 0.67 114.58 137.10 2dl0 h GLU 69 Ca -0.11 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 2dl0 h GLU 69 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2dl0 h GLU 69 CO 1.13 0.00 -0.55 -0.09 -0.73 0.00 0.00 179.01 178.77 2dl0 h ARG 70 N 0.00 0.37 0.17 1.92 9.65 -2.01 -2.71 114.38 121.77 2dl0 h ARG 70 Ca 0.25 -0.23 -0.35 0.00 -1.10 0.00 0.00 59.98 58.55 2dl0 h ARG 70 Cb 1.50 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 2dl0 h ARG 70 CO -0.00 0.82 -1.77 0.45 2.80 0.00 0.00 179.97 182.27 2dl0 h HIS 71 N 0.28 0.65 -0.89 2.20 3.86 -0.12 -3.23 115.15 117.91 2dl0 h HIS 71 Ca 0.00 -0.48 0.08 0.00 -1.16 0.00 0.00 60.37 58.82 2dl0 h HIS 71 Cb 1.06 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.44 2dl0 h HIS 71 CO 0.03 1.69 0.58 0.82 0.86 0.00 0.00 177.93 181.91 2dl0 h ILE 72 N 0.06 1.01 -0.24 2.45 2.04 -1.04 -0.19 117.51 121.61 2dl0 h ILE 72 Ca -0.36 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 2dl0 h ILE 72 Cb 2.06 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2dl0 h ILE 72 CO 0.15 0.17 -0.29 0.03 0.00 0.00 0.00 178.15 178.21 2dl0 h ARG 73 N 0.94 0.61 -0.22 2.37 2.47 -1.62 -2.11 114.38 116.83 2dl0 h ARG 73 Ca 0.40 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2dl0 h ARG 73 Cb 0.31 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2dl0 h ARG 73 CO -0.16 0.95 0.12 -0.22 0.56 0.00 0.00 179.97 181.22 2dl0 h LYS 74 N 0.32 0.30 -0.10 0.04 3.64 -1.40 0.23 116.57 119.61 2dl0 h LYS 74 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dl0 h LYS 74 Cb 0.86 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2dl0 h LYS 74 CO 0.07 0.26 0.06 -0.07 -2.27 0.00 0.00 179.45 177.50 2dl0 h LEU 75 N 0.25 0.11 -0.95 5.20 3.38 -1.08 0.21 115.31 122.44 2dl0 h LEU 75 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dl0 h LEU 75 Cb 0.04 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2dl0 h LEU 75 CO -0.01 0.10 0.61 -0.07 0.09 0.00 0.00 178.44 179.16 2dl0 h LEU 76 N 0.11 1.10 -0.85 1.67 3.38 -1.25 0.41 115.31 119.89 2dl0 h LEU 76 Ca 0.03 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2dl0 h LEU 76 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2dl0 h LEU 76 CO -0.01 0.81 -0.54 -1.28 0.09 0.00 0.00 178.44 177.52 2dl0 h SER 77 N 1.29 0.00 0.95 -0.43 0.87 -0.61 0.73 113.55 116.34 2dl0 h SER 77 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2dl0 h SER 77 Cb -0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2dl0 h SER 77 CO -0.07 0.54 -0.54 0.00 -0.53 0.00 0.00 176.83 176.23 2dl0 n ALA 78 N -2.40 2.84 -0.09 6.23 0.00 0.72 -3.47 120.51 124.34 2dl0 n ALA 78 Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2dl0 n ALA 78 Cb 0.57 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 2dl0 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dl0 n ALA 79 N -1.82 1.12 0.35 0.00 0.00 0.14 -4.09 120.51 116.21 2dl0 n ALA 79 Ca 0.04 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.73 2dl0 n ALA 79 Cb 0.44 -0.30 0.47 0.00 0.00 0.00 0.00 19.45 20.06 2dl0 n ALA 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2dl0 n ARG 80 N -3.70 0.16 -0.28 0.00 1.85 0.23 -1.45 116.66 113.46 2dl0 n ARG 80 Ca -0.41 0.44 0.12 0.00 -1.00 0.00 0.00 57.85 57.00 2dl0 n ARG 80 Cb 0.94 -1.83 0.28 0.00 -1.05 0.00 0.00 32.46 30.80 2dl0 n ARG 80 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2dl0 n LEU 81 N -2.13 3.62 -4.44 2.89 4.77 -1.23 -4.84 117.00 115.64 2dl0 n LEU 81 Ca 0.02 -1.70 -0.43 0.00 -0.03 0.00 0.00 56.01 53.86 2dl0 n LEU 81 Cb 0.18 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2dl0 n LEU 81 CO 0.16 0.85 0.73 0.12 -1.33 0.00 0.00 177.39 177.93 2dl0 s PHE 82 N -1.25 2.74 -0.41 -1.77 5.36 -0.53 -5.00 117.98 117.11 2dl0 s PHE 82 Ca 0.44 -0.65 -0.16 0.00 -0.96 0.00 0.00 56.93 55.60 2dl0 s PHE 82 Cb 0.24 -4.26 0.02 0.00 -0.34 0.00 0.00 43.02 38.67 2dl0 s PHE 82 CO 0.32 -1.60 0.35 0.21 -1.46 0.00 0.00 175.22 173.04 2dl0 s LYS 83 N 3.83 3.06 0.39 10.12 2.20 -1.26 -4.83 119.74 133.25 2dl0 s LYS 83 Ca 0.22 -0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 54.69 2dl0 s LYS 83 Cb -0.17 -3.96 -0.09 0.00 -1.51 0.00 0.00 37.83 32.10 2dl0 s LYS 83 CO 0.08 -0.77 1.16 -0.51 -0.36 0.00 0.00 175.35 174.96 2dl0 s LEU 84 N 1.87 4.22 0.51 5.43 1.43 -1.26 -5.00 118.68 125.87 2dl0 s LEU 84 Ca 0.08 2.33 -0.21 0.00 -1.03 0.00 0.00 54.13 55.31 2dl0 s LEU 84 Cb -0.18 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 2dl0 s LEU 84 CO 0.11 -0.63 1.14 -2.16 0.23 0.00 0.00 176.35 175.04 2dl0 s PRO 85 N -2.25 3.51 0.06 1.29 0.04 -1.26 -4.98 135.00 131.41 2dl0 s PRO 85 Ca 0.56 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 2dl0 s PRO 85 Cb -0.30 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 2dl0 s PRO 85 CO 0.38 -0.73 1.40 -1.25 0.04 0.00 0.00 177.00 176.84 2dl0 s PRO 86 N -3.07 4.30 0.00 0.56 0.04 -1.26 -4.74 135.00 130.83 2dl0 s PRO 86 Ca 0.69 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2dl0 s PRO 86 Cb -0.26 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2dl0 s PRO 86 CO 0.30 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2dl0 n GLY 87 N 3.58 1.07 0.00 0.56 0.00 -1.26 -4.91 105.19 104.22 2dl0 n GLY 87 Ca 0.12 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 0.40 0.00 1.61 -0.04 -1.26 -4.41 135.00 131.30 2dl0 n PRO 88 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2dl0 n PRO 88 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2dl0 n PRO 88 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dl0 n GLU 89 N -1.09 0.00 -3.46 0.54 0.28 -1.26 -5.03 120.64 110.62 2dl0 n GLU 89 Ca 0.10 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 2dl0 n GLU 89 Cb 0.07 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.91 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dl0 s ALA 90 N 0.00 -1.70 0.36 -1.84 0.00 -1.26 -5.17 121.76 112.16 2dl0 s ALA 90 Ca 0.00 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2dl0 s ALA 90 Cb 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 23.12 23.58 2dl0 s ALA 90 CO 0.00 -0.65 0.76 1.41 0.00 0.00 0.00 175.76 177.28 2dl0 s MET 91 N -2.99 3.93 0.51 0.00 1.75 -1.26 -4.62 119.30 116.61 2dl0 s MET 91 Ca -0.01 0.62 -0.18 0.00 -1.25 0.00 0.00 55.69 54.87 2dl0 s MET 91 Cb -0.01 -2.40 -0.14 0.00 2.84 0.00 0.00 34.83 35.12 2dl0 s MET 91 CO -0.07 0.07 0.01 -1.13 -0.65 0.00 0.00 175.02 173.25 2dl0 n SER 92 N -0.75 -3.13 0.00 1.11 3.41 -1.26 -4.96 113.62 108.04 2dl0 n SER 92 Ca 0.03 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 2dl0 n SER 92 Cb 0.53 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2dl0 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl0 n GLY 93 N 2.36 0.81 3.56 5.00 0.00 -1.26 -5.00 105.19 110.66 2dl0 n GLY 93 Ca 0.09 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2dl0 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl0 s PRO 94 N 0.34 2.58 0.15 1.61 0.04 -1.26 -4.85 135.00 133.61 2dl0 s PRO 94 Ca 0.00 0.03 -0.20 0.00 0.04 0.00 0.00 61.00 60.88 2dl0 s PRO 94 Cb 0.00 -4.82 0.05 0.00 0.04 0.00 0.00 34.50 29.77 2dl0 s PRO 94 CO 0.00 -3.15 1.66 1.03 0.04 0.00 0.00 177.00 176.58 2dl0 h SER 95 N 12.61 -0.50 -4.03 6.66 0.87 -2.03 -3.41 113.55 123.72 2dl0 h SER 95 Ca -0.03 0.12 -0.49 0.00 -1.23 0.00 0.00 61.79 60.16 2dl0 h SER 95 Cb 1.06 0.27 0.02 0.00 -0.44 0.00 0.00 62.40 63.32 2dl0 h SER 95 CO 1.21 -0.18 0.29 -0.44 -0.53 0.00 0.00 176.83 177.17 2dl0 s SER 96 N -5.13 6.49 0.00 6.23 0.01 -1.26 -5.27 113.70 114.77 2dl0 s SER 96 Ca -0.14 1.36 0.08 0.00 1.31 0.00 0.00 55.95 58.56 2dl0 s SER 96 Cb 0.13 -2.43 0.06 0.00 0.21 0.00 0.00 66.02 64.00 2dl0 s SER 96 CO 0.69 -0.58 0.75 0.61 0.41 0.00 0.00 173.24 175.12