#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 1.80 0.16 1.61 0.01 -1.26 -5.05 113.70 110.97 2dl0 s SER 2 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2dl0 s SER 2 Cb 0.00 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2dl0 s SER 2 CO 0.00 -3.56 0.00 -0.24 0.41 0.00 0.00 173.24 169.85 2dl0 n SER 3 N -4.35 0.07 0.00 2.44 2.88 -1.26 -5.17 113.62 108.23 2dl0 n SER 3 Ca 0.15 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2dl0 n SER 3 Cb 0.59 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 1.96 -0.06 3.59 0.46 0.00 -1.26 -5.14 105.19 104.74 2dl0 n GLY 4 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2dl0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dl0 s SER 5 N -0.56 0.52 0.31 1.61 1.04 -1.26 -5.14 113.70 110.22 2dl0 s SER 5 Ca 0.00 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2dl0 s SER 5 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2dl0 s SER 5 CO 0.00 -1.39 0.00 -1.20 0.98 0.00 0.00 173.24 171.63 2dl0 n SER 6 N -1.26 -5.60 0.00 7.02 7.64 -1.26 -4.99 113.62 115.17 2dl0 n SER 6 Ca -0.02 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2dl0 n SER 6 Cb 0.61 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.80 2dl0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl0 n GLY 7 N -3.66 0.14 2.70 0.23 0.00 -1.26 -5.10 105.19 98.24 2dl0 n GLY 7 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2dl0 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dl0 s GLY 8 N -0.43 -1.80 0.00 -0.02 0.00 -1.26 -5.15 107.32 98.67 2dl0 s GLY 8 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.59 2dl0 s GLY 8 CO 0.00 4.33 0.00 0.61 0.00 0.00 0.00 173.10 178.04 2dl0 n GLY 9 N 2.99 0.58 3.10 0.20 0.00 -1.26 -4.83 105.19 105.96 2dl0 n GLY 9 Ca 0.09 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.58 2dl0 n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dl0 s LEU 10 N 0.00 -0.31 0.01 0.99 2.96 -1.26 -5.06 118.68 116.02 2dl0 s LEU 10 Ca 0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2dl0 s LEU 10 Cb 0.00 1.09 0.00 0.00 0.50 0.00 0.00 46.19 47.78 2dl0 s LEU 10 CO 0.00 -0.05 0.00 0.41 -1.32 0.00 0.00 176.35 175.39 2dl0 n THR 11 N 4.89 0.00 -2.75 3.68 -1.04 -1.26 -5.13 114.28 112.67 2dl0 n THR 11 Ca 0.09 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.08 2dl0 n THR 11 Cb 0.59 -0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.84 2dl0 n THR 11 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dl0 n GLU 12 N -2.53 -3.48 -4.48 -2.82 1.02 -1.26 -5.01 120.64 102.08 2dl0 n GLU 12 Ca 0.00 2.75 -0.34 0.00 -0.02 0.00 0.00 57.16 59.56 2dl0 n GLU 12 Cb 0.00 -4.34 -0.10 0.00 -0.02 0.00 0.00 31.44 26.98 2dl0 n GLU 12 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2dl0 s ILE 13 N -0.96 3.92 -0.56 -3.67 -5.25 -1.26 -5.07 121.20 108.37 2dl0 s ILE 13 Ca -0.13 -0.49 0.06 0.00 -0.99 0.00 0.00 60.65 59.09 2dl0 s ILE 13 Cb 0.01 -2.66 0.22 0.00 2.95 0.00 0.00 42.46 42.98 2dl0 s ILE 13 CO 0.63 0.53 0.56 0.00 -1.79 0.00 0.00 174.94 174.87 2dl0 n ARG 15 N 1.59 -2.92 -4.80 0.00 0.63 -1.26 -5.01 116.66 104.89 2dl0 n ARG 15 Ca 0.25 2.35 -0.31 0.00 -0.92 0.00 0.00 57.85 59.22 2dl0 n ARG 15 Cb 0.44 -3.07 -0.14 0.00 0.45 0.00 0.00 32.46 30.14 2dl0 n ARG 15 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2dl0 s LYS 16 N -0.47 1.99 0.98 -0.14 -2.85 -1.26 -5.14 119.74 112.86 2dl0 s LYS 16 Ca -0.14 -1.01 -0.17 0.00 -1.00 0.00 0.00 55.97 53.65 2dl0 s LYS 16 Cb 0.01 -2.11 0.24 0.00 -2.06 0.00 0.00 37.83 33.92 2dl0 s LYS 16 CO 0.42 0.53 0.87 -0.35 0.10 0.00 0.00 175.35 176.92 2dl0 n PRO 17 N 1.73 -2.73 -4.94 1.78 -0.04 -1.26 -5.06 135.00 124.48 2dl0 n PRO 17 Ca -0.16 -1.39 -0.33 0.00 -0.04 0.00 0.00 63.50 61.58 2dl0 n PRO 17 Cb 0.52 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.58 2.80 -0.37 0.52 -7.23 -1.26 -5.05 120.40 107.23 2dl0 s VAL 18 Ca 0.57 -0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 59.91 2dl0 s VAL 18 Cb -0.06 -2.12 0.21 0.00 0.56 0.00 0.00 36.38 34.98 2dl0 s VAL 18 CO 0.43 0.56 1.03 -0.55 -0.31 0.00 0.00 175.10 176.26 2dl0 s SER 19 N -0.08 -0.49 0.32 4.85 0.15 -1.26 -5.03 113.70 112.17 2dl0 s SER 19 Ca -0.03 -0.58 0.11 0.00 0.70 0.00 0.00 55.95 56.15 2dl0 s SER 19 Cb -0.14 0.64 0.54 0.00 -1.71 0.00 0.00 66.02 65.35 2dl0 s SER 19 CO 0.04 -0.02 1.72 1.55 1.20 0.00 0.00 173.24 177.74 2dl0 h PRO 20 N 4.38 0.01 -3.66 5.44 0.13 -2.06 -3.47 132.00 132.78 2dl0 h PRO 20 Ca 0.01 -0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2dl0 h PRO 20 Cb 1.16 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.35 2dl0 h PRO 20 CO -0.09 0.49 -0.44 0.41 -0.23 0.00 0.00 178.00 178.14 2dl0 n GLY 21 N -0.13 -0.14 3.30 1.56 0.00 -1.26 -5.00 105.19 103.53 2dl0 n GLY 21 Ca -0.02 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 1.44 5.29 -0.08 0.00 -1.09 -1.26 -4.90 121.20 120.60 2dl0 s ILE 23 Ca 0.01 -1.88 -0.13 0.00 -2.23 0.00 0.00 60.65 56.41 2dl0 s ILE 23 Cb -0.17 -4.46 -0.10 0.00 -1.58 0.00 0.00 42.46 36.14 2dl0 s ILE 23 CO 0.01 -1.04 0.48 -1.28 -1.23 0.00 0.00 174.94 171.87 2dl0 h SER 24 N 8.41 -0.12 -3.90 3.58 0.87 -1.97 -3.48 113.55 116.94 2dl0 h SER 24 Ca -0.07 -0.28 -0.33 0.00 -1.23 0.00 0.00 61.79 59.89 2dl0 h SER 24 Cb 1.06 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.98 2dl0 h SER 24 CO 0.92 0.47 -0.29 -1.20 -0.53 0.00 0.00 176.83 176.21 2dl0 n SER 25 N -4.84 0.55 -0.10 6.23 7.64 -1.26 -4.94 113.62 116.89 2dl0 n SER 25 Ca -0.05 -2.36 -0.11 0.00 1.01 0.00 0.00 58.87 57.36 2dl0 n SER 25 Cb 0.19 0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 64.13 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 1.51 0.10 -0.72 0.44 2.07 -1.86 -1.48 116.25 116.31 2dl0 h VAL 26 Ca -0.18 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.47 2dl0 h VAL 26 Cb 0.75 0.10 -0.13 0.00 -1.52 0.00 0.00 31.29 30.50 2dl0 h VAL 26 CO 0.28 0.00 -0.32 0.28 0.02 0.00 0.00 177.57 177.82 2dl0 h SER 27 N -0.37 -1.15 -0.91 0.57 0.02 -1.93 0.74 113.55 110.51 2dl0 h SER 27 Ca 0.12 0.25 0.20 0.00 -0.84 0.00 0.00 61.79 61.51 2dl0 h SER 27 Cb 0.60 0.60 -0.07 0.00 0.14 0.00 0.00 62.40 63.67 2dl0 h SER 27 CO -0.54 -0.29 0.60 0.44 -1.14 0.00 0.00 176.83 175.89 2dl0 h ASP 28 N -0.10 0.48 0.03 3.07 5.19 -1.65 -0.25 116.42 123.19 2dl0 h ASP 28 Ca 0.28 0.05 -0.25 0.00 -0.62 0.00 0.00 57.03 56.49 2dl0 h ASP 28 Cb 0.57 -0.04 0.02 0.00 0.18 0.00 0.00 39.33 40.06 2dl0 h ASP 28 CO -0.78 0.19 -1.00 -0.25 -3.12 0.00 0.00 179.24 174.29 2dl0 h TRP 29 N 0.48 0.95 -0.23 4.55 7.01 0.83 -2.74 115.95 126.79 2dl0 h TRP 29 Ca 0.48 -0.54 0.01 0.00 2.11 0.00 0.00 58.89 60.95 2dl0 h TRP 29 Cb 1.09 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 2dl0 h TRP 29 CO -0.00 1.37 0.16 -0.07 -2.79 0.00 0.00 178.44 177.11 2dl0 h LEU 30 N 0.25 0.26 0.01 0.65 3.38 0.11 -1.95 115.31 118.02 2dl0 h LEU 30 Ca -0.13 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.57 2dl0 h LEU 30 Cb 1.67 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.37 2dl0 h LEU 30 CO 0.20 0.19 -1.14 0.40 0.09 0.00 0.00 178.44 178.17 2dl0 h ILE 31 N 0.30 1.43 0.00 1.22 2.04 -1.22 0.30 117.51 121.59 2dl0 h ILE 31 Ca 0.09 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.21 2dl0 h ILE 31 Cb -0.02 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2dl0 h ILE 31 CO -0.02 0.81 0.00 -0.24 0.00 0.00 0.00 178.15 178.70 2dl0 n SER 32 N -3.65 0.48 -0.06 1.72 2.88 -0.77 -1.60 113.62 112.61 2dl0 n SER 32 Ca -0.09 0.65 0.07 0.00 -1.33 0.00 0.00 58.87 58.17 2dl0 n SER 32 Cb 0.95 -0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.06 0.00 -1.10 2.46 -5.35 -1.00 -4.99 119.36 107.32 2dl0 n ILE 33 Ca 0.01 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2dl0 n ILE 33 Cb 0.16 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 1.28 0.56 2.51 3.28 0.00 -0.63 -4.97 105.19 107.22 2dl0 n GLY 34 Ca 0.03 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 3.22 0.15 0.99 4.77 0.10 -4.84 117.00 121.40 2dl0 n LEU 35 Ca 0.00 -4.32 0.13 0.00 -0.03 0.00 0.00 56.01 51.79 2dl0 n LEU 35 Cb 0.15 -0.01 0.53 0.00 -2.33 0.00 0.00 43.42 41.75 2dl0 n LEU 35 CO 0.00 1.81 0.88 1.55 -1.33 0.00 0.00 177.39 180.30 2dl0 h PRO 36 N 2.65 0.00 0.00 3.23 0.13 -1.79 -2.91 132.00 133.31 2dl0 h PRO 36 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2dl0 h PRO 36 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2dl0 h PRO 36 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 2dl0 n MET 37 N -2.37 0.01 0.00 0.86 0.00 -1.26 -0.48 117.12 113.88 2dl0 n MET 37 Ca 0.02 0.42 0.09 0.00 0.00 0.00 0.00 57.70 58.22 2dl0 n MET 37 Cb 0.24 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.92 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 -1.48 0.00 -0.18 3.17 4.01 -1.10 -4.46 117.16 117.12 2dl0 n TYR 38 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 2dl0 n TYR 38 Cb 0.04 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.14 2dl0 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dl0 h ALA 39 N 2.90 0.47 0.00 -0.72 0.00 -0.96 0.24 119.26 121.20 2dl0 h ALA 39 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dl0 h ALA 39 Cb 0.55 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dl0 h ALA 39 CO 0.00 -0.41 -0.29 0.78 0.00 0.00 0.00 179.25 179.32 2dl0 h GLY 40 N 0.07 0.00 0.17 0.00 0.00 -1.80 -2.97 103.07 98.55 2dl0 h GLY 40 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2dl0 h GLY 40 CO -0.51 0.00 -0.04 -0.84 0.00 0.00 0.00 176.54 175.15 2dl0 h THR 41 N 0.00 0.76 -0.53 4.70 2.02 -1.25 -3.10 112.91 115.52 2dl0 h THR 41 Ca 0.00 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 2dl0 h THR 41 Cb 0.85 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2dl0 h THR 41 CO 0.00 0.23 -0.06 -0.07 0.37 0.00 0.00 175.52 176.00 2dl0 h LEU 42 N -0.96 0.93 -1.00 2.58 3.38 -0.76 -2.82 115.31 116.66 2dl0 h LEU 42 Ca -0.01 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2dl0 h LEU 42 Cb 0.48 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2dl0 h LEU 42 CO 0.02 1.02 0.63 0.77 0.09 0.00 0.00 178.44 180.97 2dl0 h SER 43 N 0.86 0.97 0.08 -0.43 4.64 -1.54 0.13 113.55 118.25 2dl0 h SER 43 Ca 0.15 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 2dl0 h SER 43 Cb 0.58 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2dl0 h SER 43 CO 0.04 0.57 -0.43 0.74 -0.87 0.00 0.00 176.83 176.87 2dl0 h THR 44 N 1.07 1.31 0.00 2.95 2.02 -1.42 -2.74 112.91 116.10 2dl0 h THR 44 Ca 0.46 -1.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2dl0 h THR 44 Cb 0.34 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2dl0 h THR 44 CO -0.22 0.50 -0.08 0.00 0.37 0.00 0.00 175.52 176.08 2dl0 h ALA 45 N 1.18 1.03 0.00 6.16 0.00 -0.95 -3.46 119.26 123.22 2dl0 h ALA 45 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dl0 h ALA 45 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dl0 h ALA 45 CO 0.08 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2dl0 n GLY 46 N 0.02 0.96 3.56 0.00 0.00 -0.64 -5.07 105.19 104.01 2dl0 n GLY 46 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.99 1.95 0.00 1.61 0.08 0.31 -4.58 117.98 116.37 2dl0 s PHE 47 Ca 0.00 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.38 2dl0 s PHE 47 Cb 0.00 -4.18 0.00 0.00 -0.57 0.00 0.00 43.02 38.27 2dl0 s PHE 47 CO 0.00 -1.81 0.55 0.45 -0.10 0.00 0.00 175.22 174.32 2dl0 n SER 48 N 12.87 1.04 -4.17 1.36 2.88 -1.26 -3.41 113.62 122.92 2dl0 n SER 48 Ca 0.38 -1.25 -0.24 0.00 -1.33 0.00 0.00 58.87 56.43 2dl0 n SER 48 Cb 0.48 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.25 1.36 -1.97 2.46 -4.23 -1.26 -4.79 115.64 106.96 2dl0 s THR 49 Ca 0.00 -0.80 0.18 0.00 -1.18 0.00 0.00 61.69 59.90 2dl0 s THR 49 Cb 0.00 -1.15 0.51 0.00 1.34 0.00 0.00 72.50 73.21 2dl0 s THR 49 CO 0.00 0.33 1.50 0.18 -0.54 0.00 0.00 174.62 176.10 2dl0 n LEU 50 N 2.52 0.00 0.08 4.79 4.77 -1.26 -2.70 117.00 125.20 2dl0 n LEU 50 Ca -0.15 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 2dl0 n LEU 50 Cb 0.54 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 2dl0 n LEU 50 CO 0.24 -0.01 0.15 -1.28 -1.33 0.00 0.00 177.39 175.16 2dl0 h SER 51 N 0.00 0.45 1.14 -1.43 0.87 -2.01 -3.15 113.55 109.42 2dl0 h SER 51 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2dl0 h SER 51 Cb 0.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2dl0 h SER 51 CO 0.00 1.21 -0.13 0.00 -0.53 0.00 0.00 176.83 177.38 2dl0 n GLN 52 N -3.68 0.15 0.46 2.24 6.02 -1.10 -3.97 117.38 117.50 2dl0 n GLN 52 Ca -0.06 0.10 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 2dl0 n GLN 52 Cb 0.87 -1.65 -0.09 0.00 1.02 0.00 0.00 30.24 30.38 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 0.14 0.00 5.09 2.07 -1.66 -1.99 116.25 119.90 2dl0 h VAL 53 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2dl0 h VAL 53 Cb 0.63 0.14 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 -5.58 0.29 -0.24 1.57 -0.04 -1.26 -1.94 135.00 127.80 2dl0 n PRO 54 Ca -0.15 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2dl0 n PRO 54 Cb 0.46 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.20 3.12 -4.28 3.54 2.88 -0.96 -4.62 113.62 112.10 2dl0 n SER 55 Ca 0.08 -2.43 -0.33 0.00 -1.33 0.00 0.00 58.87 54.86 2dl0 n SER 55 Cb 0.10 -0.33 0.16 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.09 -2.11 -3.63 2.46 4.77 -0.79 -5.02 117.00 112.59 2dl0 n LEU 56 Ca 0.14 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2dl0 n LEU 56 Cb 0.59 -0.96 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 2dl0 n LEU 56 CO 0.09 -3.17 0.58 -0.55 -1.33 0.00 0.00 177.39 173.01 2dl0 s SER 57 N -1.81 -0.59 0.36 -1.43 0.15 -1.26 -4.97 113.70 104.15 2dl0 s SER 57 Ca 0.55 1.10 0.17 0.00 0.70 0.00 0.00 55.95 58.47 2dl0 s SER 57 Cb -0.12 1.10 1.21 0.00 -1.71 0.00 0.00 66.02 66.51 2dl0 s SER 57 CO 0.67 -0.23 1.60 -0.74 1.20 0.00 0.00 173.24 175.74 2dl0 h HIS 58 N 4.43 0.74 -0.00 3.44 2.76 -1.96 1.44 115.15 126.00 2dl0 h HIS 58 Ca -0.28 0.04 -0.20 0.00 -2.20 0.00 0.00 60.37 57.74 2dl0 h HIS 58 Cb 1.17 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 2dl0 h HIS 58 CO 0.35 -0.40 -0.87 1.15 -1.30 0.00 0.00 177.93 176.86 2dl0 h THR 59 N 0.07 1.48 -0.64 6.26 2.02 -1.98 -2.10 112.91 118.03 2dl0 h THR 59 Ca 0.79 -2.58 -0.05 0.00 0.77 0.00 0.00 66.41 65.34 2dl0 h THR 59 Cb 1.99 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 70.81 2dl0 h THR 59 CO -0.75 0.75 0.20 0.00 0.37 0.00 0.00 175.52 176.09 2dl0 h LEU 61 N 0.93 0.71 -0.94 0.00 3.38 -1.12 -3.25 115.31 115.02 2dl0 h LEU 61 Ca 0.21 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2dl0 h LEU 61 Cb 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2dl0 h LEU 61 CO -0.01 1.40 0.61 1.56 0.09 0.00 0.00 178.44 182.09 2dl0 h GLN 62 N 0.28 1.18 -0.57 1.13 1.08 -1.24 -1.41 115.11 115.55 2dl0 h GLN 62 Ca -0.12 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 2dl0 h GLN 62 Cb 1.70 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 28.83 2dl0 h GLN 62 CO 0.19 0.78 0.32 0.93 -0.95 0.00 0.00 178.83 180.10 2dl0 h GLU 63 N 1.21 0.78 0.00 1.46 4.39 -1.39 -1.68 114.58 119.34 2dl0 h GLU 63 Ca 0.36 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.89 2dl0 h GLU 63 Cb -0.05 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2dl0 h GLU 63 CO -0.10 0.57 -0.47 0.00 -1.16 0.00 0.00 179.01 177.84 2dl0 h ALA 64 N 1.56 1.14 0.00 3.43 0.00 -1.36 -3.46 119.26 120.57 2dl0 h ALA 64 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dl0 h ALA 64 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dl0 h ALA 64 CO -0.03 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2dl0 n GLY 65 N -0.05 0.36 3.66 0.00 0.00 -0.63 -4.93 105.19 103.60 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 -1.08 4.51 0.00 -0.61 1.01 -0.62 -4.86 121.20 119.56 2dl0 s ILE 66 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.47 2dl0 s ILE 66 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2dl0 s ILE 66 CO 0.00 -0.13 0.00 0.35 0.00 0.00 0.00 174.94 175.16 2dl0 n THR 67 N 5.21 0.00 -1.51 2.92 -2.24 -1.26 -3.47 114.28 113.93 2dl0 n THR 67 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.62 2dl0 n THR 67 Cb 0.46 -0.61 -0.16 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.38 0.18 0.04 -0.78 0.00 -1.26 -4.68 120.64 111.76 2dl0 n GLU 68 Ca 0.00 -0.11 0.21 0.00 0.00 0.00 0.00 57.16 57.26 2dl0 n GLU 68 Cb 0.50 -1.77 0.60 0.00 0.00 0.00 0.00 31.44 30.77 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 12.44 0.00 -0.19 3.44 4.81 -1.98 0.86 114.58 133.96 2dl0 h GLU 69 Ca -0.02 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2dl0 h GLU 69 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2dl0 h GLU 69 CO 1.42 0.00 -0.51 -0.09 -0.73 0.00 0.00 179.01 179.10 2dl0 h ARG 70 N 0.00 0.52 0.16 1.92 9.65 -2.00 -2.43 114.38 122.20 2dl0 h ARG 70 Ca 0.26 -0.31 -0.33 0.00 -1.10 0.00 0.00 59.98 58.50 2dl0 h ARG 70 Cb 1.71 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 30.33 2dl0 h ARG 70 CO -0.00 0.91 -1.65 0.45 2.80 0.00 0.00 179.97 182.47 2dl0 h HIS 71 N 0.41 0.63 -0.82 2.20 3.86 0.30 -3.15 115.15 118.58 2dl0 h HIS 71 Ca 0.02 -0.46 0.05 0.00 -1.16 0.00 0.00 60.37 58.81 2dl0 h HIS 71 Cb 1.04 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 2dl0 h HIS 71 CO 0.04 1.65 0.54 0.82 0.86 0.00 0.00 177.93 181.83 2dl0 h ILE 72 N -0.02 1.09 -0.16 2.45 2.04 -1.14 -0.22 117.51 121.55 2dl0 h ILE 72 Ca -0.33 -0.33 -0.21 0.00 1.00 0.00 0.00 64.86 64.99 2dl0 h ILE 72 Cb 2.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2dl0 h ILE 72 CO 0.14 0.17 -0.72 0.03 0.00 0.00 0.00 178.15 177.77 2dl0 h ARG 73 N 0.95 0.72 -0.53 2.37 2.47 -1.57 -2.25 114.38 116.54 2dl0 h ARG 73 Ca 0.34 -0.56 -0.06 0.00 -1.26 0.00 0.00 59.98 58.45 2dl0 h ARG 73 Cb 0.13 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 2dl0 h ARG 73 CO -0.11 1.17 0.11 -0.22 0.56 0.00 0.00 179.97 181.49 2dl0 h LYS 74 N 0.50 0.86 -0.02 0.04 3.64 -1.33 -0.56 116.57 119.71 2dl0 h LYS 74 Ca -0.03 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2dl0 h LYS 74 Cb 1.33 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2dl0 h LYS 74 CO 0.14 0.82 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.08 2dl0 h LEU 75 N 0.75 0.03 -1.46 5.20 3.38 -1.08 0.11 115.31 122.23 2dl0 h LEU 75 Ca 0.16 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2dl0 h LEU 75 Cb 0.36 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2dl0 h LEU 75 CO 0.00 0.33 0.30 -0.07 0.09 0.00 0.00 178.44 179.10 2dl0 h LEU 76 N -0.27 0.58 -0.08 1.67 3.38 -1.36 0.27 115.31 119.49 2dl0 h LEU 76 Ca 0.01 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 2dl0 h LEU 76 Cb 0.32 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.94 2dl0 h LEU 76 CO 0.00 0.45 -0.96 -1.28 0.09 0.00 0.00 178.44 176.73 2dl0 h SER 77 N 0.67 0.85 0.13 -0.43 0.87 -0.96 -2.92 113.55 111.77 2dl0 h SER 77 Ca 0.18 -0.65 -0.16 0.00 -1.23 0.00 0.00 61.79 59.93 2dl0 h SER 77 Cb -0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 2dl0 h SER 77 CO -0.03 1.44 -0.59 0.00 -0.53 0.00 0.00 176.83 177.12 2dl0 h ALA 78 N 0.51 0.72 -0.36 6.23 0.00 -0.27 -3.20 119.26 122.88 2dl0 h ALA 78 Ca -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2dl0 h ALA 78 Cb 1.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2dl0 h ALA 78 CO 0.19 0.70 0.12 0.00 0.00 0.00 0.00 179.25 180.26 2dl0 h ALA 79 N 1.02 0.48 -0.06 0.00 0.00 -0.53 -2.31 119.26 117.85 2dl0 h ALA 79 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dl0 h ALA 79 Cb 1.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dl0 h ALA 79 CO 0.10 0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.56 2dl0 h ARG 80 N 0.44 0.00 0.00 0.00 3.08 -1.51 0.29 114.38 116.68 2dl0 h ARG 80 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2dl0 h ARG 80 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2dl0 h ARG 80 CO -0.00 0.00 -0.22 1.28 -1.07 0.00 0.00 179.97 179.96 2dl0 n LEU 81 N -3.66 0.28 -4.56 3.04 4.77 -0.88 -4.70 117.00 111.30 2dl0 n LEU 81 Ca -0.01 0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 2dl0 n LEU 81 Cb 0.18 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2dl0 n LEU 81 CO 0.25 0.03 1.38 0.12 -1.33 0.00 0.00 177.39 177.84 2dl0 s PHE 82 N -3.02 2.16 -0.72 -1.77 5.36 0.10 -4.94 117.98 115.16 2dl0 s PHE 82 Ca 0.12 -0.03 -0.23 0.00 -0.96 0.00 0.00 56.93 55.83 2dl0 s PHE 82 Cb 0.18 -4.45 0.07 0.00 -0.34 0.00 0.00 43.02 38.47 2dl0 s PHE 82 CO 0.61 -2.01 1.07 0.21 -1.46 0.00 0.00 175.22 173.63 2dl0 s LYS 83 N 5.96 3.19 0.38 10.12 2.20 -1.26 -4.84 119.74 135.49 2dl0 s LYS 83 Ca 0.51 -0.80 -0.25 0.00 -0.36 0.00 0.00 55.97 55.06 2dl0 s LYS 83 Cb -0.06 -4.33 -0.09 0.00 -1.51 0.00 0.00 37.83 31.84 2dl0 s LYS 83 CO 0.05 -1.90 1.12 -0.51 -0.36 0.00 0.00 175.35 173.74 2dl0 s LEU 84 N 4.34 4.22 0.54 5.43 1.43 -1.26 -5.01 118.68 128.37 2dl0 s LEU 84 Ca 0.27 2.23 -0.20 0.00 -1.03 0.00 0.00 54.13 55.40 2dl0 s LEU 84 Cb -0.13 -4.03 -0.06 0.00 0.03 0.00 0.00 46.19 42.00 2dl0 s LEU 84 CO 0.09 -0.54 1.13 -2.16 0.23 0.00 0.00 176.35 175.09 2dl0 s PRO 85 N -2.25 3.38 0.72 1.29 0.04 -1.26 -5.02 135.00 131.89 2dl0 s PRO 85 Ca 0.56 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 2dl0 s PRO 85 Cb -0.28 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2dl0 s PRO 85 CO 0.35 -0.83 1.10 -1.25 0.04 0.00 0.00 177.00 176.41 2dl0 s PRO 86 N -3.26 2.52 0.00 0.56 0.04 -1.26 -5.07 135.00 128.53 2dl0 s PRO 86 Ca 0.72 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dl0 s PRO 86 Cb -0.24 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2dl0 s PRO 86 CO 0.27 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.27 2dl0 n GLY 87 N -0.86 4.26 0.00 0.56 0.00 -1.26 -4.95 105.19 102.94 2dl0 n GLY 87 Ca 0.10 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.48 0.18 1.61 -0.04 -1.26 -3.44 135.00 132.53 2dl0 n PRO 88 Ca 0.00 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2dl0 n PRO 88 Cb 0.00 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.51 0.54 4.57 -2.01 -1.11 114.58 115.05 2dl0 h GLU 89 Ca 0.00 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.47 2dl0 h GLU 89 Cb 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 28.30 2dl0 h GLU 89 CO 0.00 0.00 0.73 0.00 -1.18 0.00 0.00 179.01 178.56 2dl0 n ALA 90 N -1.66 6.24 -1.98 2.92 0.00 -1.22 -4.99 120.51 119.81 2dl0 n ALA 90 Ca -0.01 -3.88 -0.21 0.00 0.00 0.00 0.00 53.44 49.34 2dl0 n ALA 90 Cb 0.24 -1.69 0.04 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.91 2.50 0.37 0.00 0.00 -0.42 -5.13 119.30 112.70 2dl0 s MET 91 Ca 0.56 -0.92 0.07 0.00 0.00 0.00 0.00 55.69 55.41 2dl0 s MET 91 Cb 0.46 -2.52 -0.07 0.00 0.00 0.00 0.00 34.83 32.70 2dl0 s MET 91 CO -0.22 -0.72 -0.02 -1.54 0.00 0.00 0.00 175.02 172.52 2dl0 s SER 92 N -4.45 3.56 0.00 1.11 1.04 -1.26 -5.11 113.70 108.59 2dl0 s SER 92 Ca 0.58 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2dl0 s SER 92 Cb -0.10 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2dl0 s SER 92 CO 0.38 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2dl0 n GLY 93 N -0.85 -2.06 0.21 7.32 0.00 -1.26 -5.05 105.19 103.50 2dl0 n GLY 93 Ca -0.05 0.99 -0.13 0.00 0.00 0.00 0.00 46.02 46.83 2dl0 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl0 h PRO 94 N 0.00 0.68 -6.44 1.61 0.13 -2.09 -3.45 132.00 122.45 2dl0 h PRO 94 Ca 0.00 -0.36 -0.62 0.00 -0.87 0.00 0.00 66.00 64.15 2dl0 h PRO 94 Cb 0.00 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 30.91 2dl0 h PRO 94 CO 0.00 0.97 -0.85 -1.12 -0.23 0.00 0.00 178.00 176.77 2dl0 s SER 95 N -6.52 2.84 0.12 1.44 0.01 -1.26 -5.15 113.70 105.18 2dl0 s SER 95 Ca -0.12 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.52 2dl0 s SER 95 Cb 0.08 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2dl0 s SER 95 CO 0.83 0.15 -0.08 -0.94 0.41 0.00 0.00 173.24 173.61 2dl0 s SER 96 N -1.65 1.39 0.00 2.44 1.04 -1.26 -5.23 113.70 110.43 2dl0 s SER 96 Ca 0.10 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2dl0 s SER 96 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2dl0 s SER 96 CO 0.04 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.46