#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 -0.73 0.33 1.61 0.01 -1.26 -5.17 113.70 108.49 2dl0 s SER 2 Ca 0.00 1.30 0.04 0.00 1.31 0.00 0.00 55.95 58.59 2dl0 s SER 2 Cb 0.00 1.79 -0.06 0.00 0.21 0.00 0.00 66.02 67.96 2dl0 s SER 2 CO 0.00 -0.23 0.06 -0.94 0.41 0.00 0.00 173.24 172.55 2dl0 s SER 3 N 2.66 2.38 0.00 2.44 1.04 -1.26 -5.12 113.70 115.84 2dl0 s SER 3 Ca -0.04 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2dl0 s SER 3 Cb -0.12 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2dl0 s SER 3 CO -0.16 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2dl0 n GLY 4 N -0.70 0.71 3.72 7.32 0.00 -1.26 -5.07 105.19 109.90 2dl0 n GLY 4 Ca -0.03 -0.06 -0.64 0.00 0.00 0.00 0.00 46.02 45.29 2dl0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dl0 n SER 5 N 0.00 1.41 -3.65 1.61 2.88 -1.26 -4.91 113.62 109.71 2dl0 n SER 5 Ca 0.00 1.16 -0.03 0.00 -1.33 0.00 0.00 58.87 58.67 2dl0 n SER 5 Cb 0.00 -0.95 -0.07 0.00 -0.75 0.00 0.00 64.21 62.44 2dl0 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dl0 s SER 6 N 2.85 -0.31 0.00 -3.46 0.15 -1.26 -5.18 113.70 106.49 2dl0 s SER 6 Ca 1.02 0.53 0.00 0.00 0.70 0.00 0.00 55.95 58.20 2dl0 s SER 6 Cb -1.37 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 2dl0 s SER 6 CO 0.75 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.72 2dl0 n GLY 7 N 2.86 -0.35 3.80 9.45 0.00 -1.26 -5.19 105.19 114.50 2dl0 n GLY 7 Ca -0.15 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 0.26 -0.21 -0.02 0.00 -1.26 -5.15 107.32 100.94 2dl0 s GLY 8 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 44.72 43.94 2dl0 s GLY 8 CO 0.00 -0.28 0.37 -0.32 0.00 0.00 0.00 173.10 172.88 2dl0 s GLY 9 N -3.02 2.06 0.14 0.20 0.00 -1.26 -4.81 107.32 100.63 2dl0 s GLY 9 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2dl0 s GLY 9 CO 0.10 0.78 0.00 1.04 0.00 0.00 0.00 173.10 175.02 2dl0 n LEU 10 N 4.50 -6.31 -3.84 0.66 4.32 -1.26 -4.99 117.00 110.08 2dl0 n LEU 10 Ca -0.09 3.18 -0.30 0.00 -0.02 0.00 0.00 56.01 58.77 2dl0 n LEU 10 Cb 0.51 -3.23 -0.15 0.00 -1.62 0.00 0.00 43.42 38.93 2dl0 n LEU 10 CO 0.39 -2.26 -0.33 -0.89 -1.22 0.00 0.00 177.39 173.08 2dl0 s THR 11 N -0.55 1.38 0.07 -5.08 2.01 -1.26 -5.10 115.64 107.11 2dl0 s THR 11 Ca 0.00 -1.74 -0.36 0.00 0.31 0.00 0.00 61.69 59.90 2dl0 s THR 11 Cb 0.00 -2.03 -0.19 0.00 0.01 0.00 0.00 72.50 70.29 2dl0 s THR 11 CO 0.00 -0.65 0.98 -1.84 -0.69 0.00 0.00 174.62 172.42 2dl0 n GLU 12 N 4.63 0.22 -2.70 4.92 0.28 -1.26 -4.85 120.64 121.89 2dl0 n GLU 12 Ca 0.00 0.08 -0.43 0.00 -0.16 0.00 0.00 57.16 56.65 2dl0 n GLU 12 Cb 0.42 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.79 2dl0 n GLU 12 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2dl0 s ILE 13 N -0.21 4.56 -0.21 3.84 -5.25 -1.26 -5.00 121.20 117.67 2dl0 s ILE 13 Ca 0.82 1.61 -0.27 0.00 -0.99 0.00 0.00 60.65 61.83 2dl0 s ILE 13 Cb -1.12 -4.37 0.07 0.00 2.95 0.00 0.00 42.46 39.99 2dl0 s ILE 13 CO 0.55 -0.45 0.72 0.00 -1.79 0.00 0.00 174.94 173.97 2dl0 s ARG 15 N -0.08 3.23 0.02 0.00 3.52 -1.26 -4.99 118.95 119.38 2dl0 s ARG 15 Ca -0.03 0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.71 2dl0 s ARG 15 Cb -0.04 -4.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.17 2dl0 s ARG 15 CO 0.03 -2.06 -0.15 0.15 -0.81 0.00 0.00 175.30 172.46 2dl0 s LYS 16 N 5.65 2.25 0.94 5.12 3.01 -1.26 -5.13 119.74 130.32 2dl0 s LYS 16 Ca 0.43 -0.87 -0.16 0.00 -1.01 0.00 0.00 55.97 54.36 2dl0 s LYS 16 Cb -0.09 -2.29 0.23 0.00 -1.01 0.00 0.00 37.83 34.67 2dl0 s LYS 16 CO 0.20 0.57 0.83 -0.35 0.51 0.00 0.00 175.35 177.11 2dl0 n PRO 17 N 1.67 -2.65 -3.78 -1.68 -0.04 -1.26 -5.10 135.00 122.16 2dl0 n PRO 17 Ca -0.16 -1.33 -0.11 0.00 -0.04 0.00 0.00 63.50 61.85 2dl0 n PRO 17 Cb 0.52 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.66 2dl0 n PRO 17 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dl0 s VAL 18 N -2.51 0.09 -0.27 0.52 0.11 -1.26 -5.17 120.40 111.91 2dl0 s VAL 18 Ca 0.54 -0.72 -0.28 0.00 -2.93 0.00 0.00 61.98 58.59 2dl0 s VAL 18 Cb -0.05 -0.90 0.18 0.00 -1.53 0.00 0.00 36.38 34.07 2dl0 s VAL 18 CO 0.41 -0.40 1.31 -0.94 -3.33 0.00 0.00 175.10 172.16 2dl0 s SER 19 N -2.01 -0.11 0.44 3.54 1.04 -1.26 -5.03 113.70 110.32 2dl0 s SER 19 Ca -0.06 0.14 0.23 0.00 0.48 0.00 0.00 55.95 56.75 2dl0 s SER 19 Cb -0.01 0.12 0.99 0.00 0.10 0.00 0.00 66.02 67.23 2dl0 s SER 19 CO -0.03 -0.08 1.87 1.55 0.98 0.00 0.00 173.24 177.53 2dl0 h PRO 20 N 2.47 0.00 0.00 4.02 0.13 -2.05 -3.46 132.00 133.11 2dl0 h PRO 20 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2dl0 h PRO 20 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dl0 h PRO 20 CO 0.22 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 2dl0 n GLY 21 N -0.08 1.36 3.59 1.56 0.00 -1.26 -5.10 105.19 105.26 2dl0 n GLY 21 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 2.30 2.93 -0.21 0.00 1.01 -1.26 -4.92 121.20 121.05 2dl0 s ILE 23 Ca 0.19 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 2dl0 s ILE 23 Cb -0.16 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.97 2dl0 s ILE 23 CO 0.11 0.51 -0.25 -1.20 0.00 0.00 0.00 174.94 174.11 2dl0 n SER 24 N 3.88 1.72 -2.42 3.58 7.64 -1.26 -5.00 113.62 121.75 2dl0 n SER 24 Ca -0.18 0.17 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 2dl0 n SER 24 Cb 0.52 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dl0 n SER 25 N -3.75 0.78 0.06 6.43 7.64 -1.26 -4.89 113.62 118.64 2dl0 n SER 25 Ca -0.40 -1.96 -0.10 0.00 1.01 0.00 0.00 58.87 57.42 2dl0 n SER 25 Cb 0.81 0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 64.47 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 1.33 0.00 -0.94 0.44 2.07 -1.86 -2.48 116.25 114.81 2dl0 h VAL 26 Ca -0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.48 2dl0 h VAL 26 Cb 0.54 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.18 2dl0 h VAL 26 CO 0.21 0.00 -0.55 0.28 0.02 0.00 0.00 177.57 177.53 2dl0 h SER 27 N -0.44 -2.01 -1.01 0.57 0.02 -1.94 0.82 113.55 109.56 2dl0 h SER 27 Ca -0.00 0.32 0.34 0.00 -0.84 0.00 0.00 61.79 61.61 2dl0 h SER 27 Cb 0.45 0.91 -0.15 0.00 0.14 0.00 0.00 62.40 63.74 2dl0 h SER 27 CO -0.19 -0.26 0.58 0.44 -1.14 0.00 0.00 176.83 176.26 2dl0 h ASP 28 N -0.04 0.49 0.17 3.07 5.19 -1.88 0.59 116.42 124.01 2dl0 h ASP 28 Ca 0.18 0.20 -0.27 0.00 -0.62 0.00 0.00 57.03 56.52 2dl0 h ASP 28 Cb 0.46 0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.14 2dl0 h ASP 28 CO -0.92 -0.17 -1.10 -0.25 -3.12 0.00 0.00 179.24 173.68 2dl0 h TRP 29 N 0.28 0.89 -0.33 4.55 7.01 0.93 -2.65 115.95 126.62 2dl0 h TRP 29 Ca 0.75 -0.52 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 2dl0 h TRP 29 Cb 1.77 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 28.73 2dl0 h TRP 29 CO -0.01 1.36 0.01 -0.07 -2.79 0.00 0.00 178.44 176.94 2dl0 h LEU 30 N 0.29 0.48 -0.11 0.65 3.38 0.34 -2.73 115.31 117.61 2dl0 h LEU 30 Ca -0.14 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.51 2dl0 h LEU 30 Cb 1.76 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.40 2dl0 h LEU 30 CO 0.21 0.54 -0.96 0.40 0.09 0.00 0.00 178.44 178.71 2dl0 h ILE 31 N 0.49 1.33 -0.00 1.22 2.04 -0.59 0.17 117.51 122.18 2dl0 h ILE 31 Ca 0.11 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.68 2dl0 h ILE 31 Cb 0.31 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2dl0 h ILE 31 CO 0.01 0.70 0.11 -1.28 0.00 0.00 0.00 178.15 177.68 2dl0 h SER 32 N 0.34 0.00 0.00 1.72 0.87 -1.15 0.14 113.55 115.47 2dl0 h SER 32 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2dl0 h SER 32 Cb 1.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2dl0 h SER 32 CO 0.18 0.00 -1.01 2.30 -0.53 0.00 0.00 176.83 177.77 2dl0 n ILE 33 N -3.03 0.00 -1.00 2.23 -5.35 -1.17 -4.99 119.36 106.05 2dl0 n ILE 33 Ca -0.03 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2dl0 n ILE 33 Cb 0.17 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.42 0.70 2.39 3.28 0.00 0.50 -4.98 105.19 108.50 2dl0 n GLY 34 Ca 0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 3.97 0.00 0.99 4.77 0.57 -4.82 117.00 122.48 2dl0 n LEU 35 Ca 0.00 -4.59 0.07 0.00 -0.03 0.00 0.00 56.01 51.46 2dl0 n LEU 35 Cb 0.16 -0.19 0.33 0.00 -2.33 0.00 0.00 43.42 41.39 2dl0 n LEU 35 CO 0.00 1.96 0.72 -0.81 -1.33 0.00 0.00 177.39 177.93 2dl0 n PRO 36 N -0.52 0.08 0.00 3.23 -0.04 -1.17 -2.68 135.00 133.90 2dl0 n PRO 36 Ca 0.33 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 64.08 2dl0 n PRO 36 Cb 0.80 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.25 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 -1.42 0.63 -0.00 0.54 0.00 -1.26 -2.17 117.12 113.44 2dl0 n MET 37 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.79 2dl0 n MET 37 Cb 0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 33.22 31.91 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 -0.90 0.00 -0.35 3.17 4.01 -1.09 -4.60 117.16 117.40 2dl0 n TYR 38 Ca 0.12 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 2dl0 n TYR 38 Cb 0.06 -0.14 -0.08 0.00 -0.31 0.00 0.00 39.34 38.86 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 -1.63 -0.53 0.15 -0.72 0.00 -0.92 0.47 120.51 117.34 2dl0 n ALA 39 Ca -0.01 0.70 0.01 0.00 0.00 0.00 0.00 53.44 54.14 2dl0 n ALA 39 Cb 0.20 -0.07 0.29 0.00 0.00 0.00 0.00 19.45 19.87 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 0.08 0.92 0.00 0.00 -1.84 -1.32 103.07 100.89 2dl0 h GLY 40 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2dl0 h GLY 40 CO -0.77 0.06 -0.44 -0.84 0.00 0.00 0.00 176.54 174.55 2dl0 h THR 41 N 0.06 0.00 -0.58 4.70 2.02 -0.23 -2.20 112.91 116.68 2dl0 h THR 41 Ca 0.00 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2dl0 h THR 41 Cb 0.77 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2dl0 h THR 41 CO 0.06 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.93 2dl0 h LEU 42 N -1.32 0.91 -0.96 2.58 3.38 -0.55 -2.80 115.31 116.55 2dl0 h LEU 42 Ca -0.13 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 57.77 2dl0 h LEU 42 Cb 0.94 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 2dl0 h LEU 42 CO 0.21 0.94 0.58 0.28 0.09 0.00 0.00 178.44 180.53 2dl0 h SER 43 N 0.89 0.78 0.46 -0.43 0.02 -1.21 0.17 113.55 114.24 2dl0 h SER 43 Ca 0.17 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 2dl0 h SER 43 Cb 0.45 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2dl0 h SER 43 CO 0.02 0.36 -0.42 0.74 -1.14 0.00 0.00 176.83 176.38 2dl0 h THR 44 N 0.83 1.26 0.00 -2.27 2.02 -1.13 -2.32 112.91 111.30 2dl0 h THR 44 Ca 0.51 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2dl0 h THR 44 Cb 0.65 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2dl0 h THR 44 CO -0.32 0.42 0.00 0.00 0.37 0.00 0.00 175.52 175.98 2dl0 n ALA 45 N -2.44 2.16 0.00 6.16 0.00 0.44 -4.87 120.51 121.97 2dl0 n ALA 45 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2dl0 n ALA 45 Cb 0.46 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.11 1.75 3.57 0.00 0.00 -0.79 -5.04 105.19 105.78 2dl0 n GLY 46 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.01 1.55 -0.01 1.61 0.08 -0.31 -4.49 117.98 114.40 2dl0 s PHE 47 Ca 0.00 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.29 2dl0 s PHE 47 Cb 0.00 -3.76 -0.00 0.00 -0.57 0.00 0.00 43.02 38.69 2dl0 s PHE 47 CO 0.00 -1.47 0.07 0.45 -0.10 0.00 0.00 175.22 174.17 2dl0 n SER 48 N 16.23 0.13 -4.46 1.36 2.88 -1.26 -3.55 113.62 124.95 2dl0 n SER 48 Ca 0.43 -0.56 -0.30 0.00 -1.33 0.00 0.00 58.87 57.11 2dl0 n SER 48 Cb 0.46 0.88 -0.12 0.00 -0.75 0.00 0.00 64.21 64.68 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 -0.90 2.76 -2.00 2.46 -4.23 -1.26 -4.68 115.64 107.79 2dl0 s THR 49 Ca 0.00 -1.35 0.19 0.00 -1.18 0.00 0.00 61.69 59.35 2dl0 s THR 49 Cb 0.00 -2.20 0.54 0.00 1.34 0.00 0.00 72.50 72.18 2dl0 s THR 49 CO 0.01 0.23 1.66 0.18 -0.54 0.00 0.00 174.62 176.16 2dl0 n LEU 50 N 1.23 0.00 0.12 4.79 4.77 -1.26 -3.24 117.00 123.41 2dl0 n LEU 50 Ca -0.16 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.63 2dl0 n LEU 50 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 2dl0 n LEU 50 CO 0.27 0.00 -0.13 0.28 -1.33 0.00 0.00 177.39 176.48 2dl0 h SER 51 N 0.00 0.58 0.67 -1.43 0.02 -2.00 -3.22 113.55 108.18 2dl0 h SER 51 Ca 0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2dl0 h SER 51 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2dl0 h SER 51 CO 0.00 1.50 -0.00 0.00 -1.14 0.00 0.00 176.83 177.18 2dl0 n GLN 52 N -3.60 0.33 0.46 3.45 6.02 -1.20 -3.91 117.38 118.92 2dl0 n GLN 52 Ca -0.12 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.67 2dl0 n GLN 52 Cb 1.06 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.72 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 0.01 0.14 0.00 5.09 2.07 -1.70 -2.55 116.25 119.31 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 0.34 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 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 0.13 -0.56 1.57 -0.04 -1.25 -2.07 135.00 127.20 2dl0 n PRO 54 Ca -0.15 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2dl0 n PRO 54 Cb 0.46 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.37 4.46 -3.96 3.54 2.88 -0.99 -4.58 113.62 113.61 2dl0 n SER 55 Ca 0.06 -2.60 -0.29 0.00 -1.33 0.00 0.00 58.87 54.72 2dl0 n SER 55 Cb 0.14 -0.54 0.25 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 0.58 -1.45 -3.61 2.46 4.77 -0.88 -5.03 117.00 113.84 2dl0 n LEU 56 Ca 0.23 -0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 55.68 2dl0 n LEU 56 Cb 0.88 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2dl0 n LEU 56 CO 0.21 -3.72 0.75 -0.44 -1.33 0.00 0.00 177.39 172.86 2dl0 s SER 57 N -2.47 -0.42 0.29 -1.43 0.01 -1.26 -4.97 113.70 103.45 2dl0 s SER 57 Ca 0.63 0.66 0.02 0.00 1.31 0.00 0.00 55.95 58.57 2dl0 s SER 57 Cb -0.17 0.62 0.70 0.00 0.21 0.00 0.00 66.02 67.38 2dl0 s SER 57 CO 0.60 -0.24 1.64 -0.74 0.41 0.00 0.00 173.24 174.91 2dl0 h HIS 58 N 3.48 0.32 -0.10 2.43 2.76 -1.97 0.52 115.15 122.58 2dl0 h HIS 58 Ca -0.24 0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 57.83 2dl0 h HIS 58 Cb 1.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 2dl0 h HIS 58 CO 0.31 -0.22 -0.59 1.15 -1.30 0.00 0.00 177.93 177.28 2dl0 h THR 59 N 0.19 1.36 -0.61 6.26 2.02 -1.99 -2.19 112.91 117.95 2dl0 h THR 59 Ca 0.55 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2dl0 h THR 59 Cb 1.10 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 2dl0 h THR 59 CO -0.67 0.58 0.34 0.00 0.37 0.00 0.00 175.52 176.15 2dl0 h LEU 61 N 0.83 0.96 -1.61 0.00 3.38 -1.12 -3.12 115.31 114.64 2dl0 h LEU 61 Ca 0.22 -0.60 0.13 0.00 0.09 0.00 0.00 57.88 57.72 2dl0 h LEU 61 Cb 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2dl0 h LEU 61 CO -0.04 1.40 0.47 1.56 0.09 0.00 0.00 178.44 181.92 2dl0 h GLN 62 N 0.58 0.40 -0.03 1.13 4.20 -1.18 0.54 115.11 120.75 2dl0 h GLN 62 Ca -0.04 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 2dl0 h GLN 62 Cb 1.35 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 2dl0 h GLN 62 CO 0.15 0.26 -0.69 0.93 -0.67 0.00 0.00 178.83 178.81 2dl0 h GLU 63 N 0.41 0.17 0.00 1.46 4.39 -1.38 -2.98 114.58 116.65 2dl0 h GLU 63 Ca 0.33 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2dl0 h GLU 63 Cb 0.74 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2dl0 h GLU 63 CO -0.10 0.80 -0.11 0.00 -1.16 0.00 0.00 179.01 178.44 2dl0 h ALA 64 N 1.16 1.03 0.00 3.43 0.00 -0.85 -3.46 119.26 120.56 2dl0 h ALA 64 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dl0 h ALA 64 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dl0 h ALA 64 CO 0.10 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2dl0 n GLY 65 N 0.06 1.32 3.66 0.00 0.00 -0.90 -4.84 105.19 104.49 2dl0 n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.72 4.30 -0.00 -0.61 1.01 -0.90 -4.85 121.20 118.43 2dl0 s ILE 66 Ca 0.00 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.22 2dl0 s ILE 66 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2dl0 s ILE 66 CO 0.00 -0.18 0.03 0.35 0.00 0.00 0.00 174.94 175.14 2dl0 n THR 67 N 5.48 0.01 -1.63 2.92 -2.24 -1.26 -3.53 114.28 114.03 2dl0 n THR 67 Ca 0.14 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.52 2dl0 n THR 67 Cb 0.45 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 2dl0 n THR 67 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2dl0 s GLU 68 N -2.09 2.17 0.66 -0.78 1.03 -1.26 -4.77 118.70 113.65 2dl0 s GLU 68 Ca -0.01 1.30 0.25 0.00 0.03 0.00 0.00 54.97 56.55 2dl0 s GLU 68 Cb 0.01 -4.56 1.36 0.00 -0.80 0.00 0.00 34.13 30.14 2dl0 s GLU 68 CO 0.06 -3.21 1.77 1.49 -1.33 0.00 0.00 175.26 174.04 2dl0 h GLU 69 N 18.96 0.00 -0.04 -4.83 4.57 -1.99 0.16 114.58 131.41 2dl0 h GLU 69 Ca -0.24 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.85 2dl0 h GLU 69 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2dl0 h GLU 69 CO 1.17 0.00 -0.31 -0.09 -1.18 0.00 0.00 179.01 178.60 2dl0 h ARG 70 N 0.00 0.29 -0.11 1.92 2.43 -2.00 -2.83 114.38 114.08 2dl0 h ARG 70 Ca 0.02 -0.25 -0.22 0.00 -0.81 0.00 0.00 59.98 58.72 2dl0 h ARG 70 Cb 0.92 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2dl0 h ARG 70 CO -0.00 0.91 -0.80 0.45 -1.51 0.00 0.00 179.97 179.02 2dl0 h HIS 71 N -0.25 0.88 -0.66 2.20 3.86 -1.15 -2.82 115.15 117.21 2dl0 h HIS 71 Ca -0.03 -0.40 0.04 0.00 -1.16 0.00 0.00 60.37 58.82 2dl0 h HIS 71 Cb 0.98 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 2dl0 h HIS 71 CO 0.14 1.21 0.39 0.82 0.86 0.00 0.00 177.93 181.36 2dl0 h ILE 72 N 0.43 1.04 -0.21 2.45 2.04 -1.23 0.64 117.51 122.67 2dl0 h ILE 72 Ca -0.05 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 2dl0 h ILE 72 Cb 1.41 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2dl0 h ILE 72 CO 0.15 0.14 -0.37 0.03 0.00 0.00 0.00 178.15 178.10 2dl0 h ARG 73 N 0.75 0.47 -0.37 2.37 2.47 -1.53 -0.04 114.38 118.51 2dl0 h ARG 73 Ca 0.28 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.67 2dl0 h ARG 73 Cb 0.08 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2dl0 h ARG 73 CO -0.13 0.77 -0.19 -0.22 0.56 0.00 0.00 179.97 180.76 2dl0 h LYS 74 N 0.39 0.77 -0.14 0.04 3.64 -1.10 -1.05 116.57 119.13 2dl0 h LYS 74 Ca 0.04 -0.34 -0.14 0.00 -1.27 0.00 0.00 60.65 58.93 2dl0 h LYS 74 Cb 0.83 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2dl0 h LYS 74 CO 0.07 0.96 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.68 2dl0 h LEU 75 N 0.56 0.66 -1.31 5.20 3.38 -0.81 -1.14 115.31 121.85 2dl0 h LEU 75 Ca 0.08 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 2dl0 h LEU 75 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2dl0 h LEU 75 CO 0.06 1.15 -0.01 -0.07 0.09 0.00 0.00 178.44 179.65 2dl0 h LEU 76 N 0.21 0.42 0.07 1.67 3.38 -1.01 0.96 115.31 121.01 2dl0 h LEU 76 Ca -0.02 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.63 2dl0 h LEU 76 Cb 1.09 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.76 2dl0 h LEU 76 CO 0.10 0.49 -1.03 -1.28 0.09 0.00 0.00 178.44 176.81 2dl0 h SER 77 N 0.43 0.78 0.23 -0.43 0.87 -1.16 -2.86 113.55 111.42 2dl0 h SER 77 Ca 0.10 -0.80 -0.11 0.00 -1.23 0.00 0.00 61.79 59.74 2dl0 h SER 77 Cb 0.30 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2dl0 h SER 77 CO 0.01 1.50 -0.42 0.00 -0.53 0.00 0.00 176.83 177.39 2dl0 h ALA 78 N 0.30 1.10 -0.29 6.23 0.00 -0.97 -3.08 119.26 122.55 2dl0 h ALA 78 Ca -0.15 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2dl0 h ALA 78 Cb 1.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2dl0 h ALA 78 CO 0.20 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.80 2dl0 h ALA 79 N 1.37 0.42 0.00 0.00 0.00 -0.87 -2.69 119.26 117.49 2dl0 h ALA 79 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2dl0 h ALA 79 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dl0 h ALA 79 CO 0.06 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.25 2dl0 n ARG 80 N -4.31 0.02 -0.26 0.00 1.74 -1.08 -1.08 116.66 111.68 2dl0 n ARG 80 Ca -0.04 0.37 0.09 0.00 -0.77 0.00 0.00 57.85 57.51 2dl0 n ARG 80 Cb 0.44 -1.54 0.24 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.57 3.46 -4.38 0.55 4.77 -1.02 -4.86 117.00 113.94 2dl0 n LEU 81 Ca 0.02 -1.88 -0.45 0.00 -0.03 0.00 0.00 56.01 53.68 2dl0 n LEU 81 Cb 0.11 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2dl0 n LEU 81 CO 0.09 0.84 0.45 0.12 -1.33 0.00 0.00 177.39 177.56 2dl0 s PHE 82 N -1.07 2.97 -0.49 -1.77 5.36 -0.24 -5.01 117.98 117.73 2dl0 s PHE 82 Ca 0.37 -0.93 -0.17 0.00 -0.96 0.00 0.00 56.93 55.24 2dl0 s PHE 82 Cb 0.20 -4.05 0.07 0.00 -0.34 0.00 0.00 43.02 38.90 2dl0 s PHE 82 CO 0.26 -1.34 0.48 0.21 -1.46 0.00 0.00 175.22 173.38 2dl0 s LYS 83 N 2.82 3.03 0.39 10.12 2.20 -1.26 -4.78 119.74 132.26 2dl0 s LYS 83 Ca 0.13 -1.18 -0.25 0.00 -0.36 0.00 0.00 55.97 54.31 2dl0 s LYS 83 Cb -0.23 -4.12 -0.09 0.00 -1.51 0.00 0.00 37.83 31.88 2dl0 s LYS 83 CO 0.06 -1.10 1.14 -0.51 -0.36 0.00 0.00 175.35 174.58 2dl0 s LEU 84 N 2.02 4.21 0.98 5.43 1.43 -1.26 -5.03 118.68 126.46 2dl0 s LEU 84 Ca 0.08 2.28 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 2dl0 s LEU 84 Cb -0.22 -4.02 0.18 0.00 0.03 0.00 0.00 46.19 42.15 2dl0 s LEU 84 CO 0.09 -0.61 1.09 -2.16 0.23 0.00 0.00 176.35 174.99 2dl0 s PRO 85 N -2.27 0.56 0.28 1.29 0.04 -1.26 -4.99 135.00 128.64 2dl0 s PRO 85 Ca 0.56 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 2dl0 s PRO 85 Cb -0.29 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2dl0 s PRO 85 CO 0.37 -2.66 1.25 -1.25 0.04 0.00 0.00 177.00 174.75 2dl0 s PRO 86 N -4.96 4.44 0.00 0.56 0.04 -1.26 -4.99 135.00 128.84 2dl0 s PRO 86 Ca 0.65 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2dl0 s PRO 86 Cb -0.18 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dl0 s PRO 86 CO 0.58 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.93 2dl0 n GLY 87 N 1.40 4.18 0.00 0.56 0.00 -1.26 -4.95 105.19 105.12 2dl0 n GLY 87 Ca 0.02 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 1.61 -0.04 -1.26 -4.45 135.00 131.35 2dl0 n PRO 88 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dl0 n PRO 88 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2dl0 n PRO 88 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dl0 n GLU 89 N -0.94 0.00 -1.00 0.54 1.02 -1.26 -5.13 120.64 113.86 2dl0 n GLU 89 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2dl0 n GLU 89 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dl0 n ALA 90 N 0.00 -1.69 -2.56 0.62 0.00 -1.26 -5.02 120.51 110.59 2dl0 n ALA 90 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 2dl0 n ALA 90 Cb 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.65 2.65 -0.02 0.00 1.75 -1.26 -4.91 119.30 112.86 2dl0 s MET 91 Ca 0.00 -1.32 -0.00 0.00 -1.25 0.00 0.00 55.69 53.11 2dl0 s MET 91 Cb 0.00 -2.40 0.00 0.00 2.84 0.00 0.00 34.83 35.27 2dl0 s MET 91 CO 0.00 0.16 0.01 0.45 -0.65 0.00 0.00 175.02 174.99 2dl0 n SER 92 N -1.27 -2.43 -3.65 1.11 2.88 -1.26 -5.12 113.62 103.88 2dl0 n SER 92 Ca -0.03 0.09 -0.01 0.00 -1.33 0.00 0.00 58.87 57.58 2dl0 n SER 92 Cb 0.60 -1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 62.70 2dl0 n SER 92 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dl0 s GLY 93 N -0.41 0.20 0.43 0.46 0.00 -1.26 -5.02 107.32 101.72 2dl0 s GLY 93 Ca 0.01 3.09 0.22 0.00 0.00 0.00 0.00 44.72 48.04 2dl0 s GLY 93 CO 0.06 1.32 1.85 -0.56 0.00 0.00 0.00 173.10 175.77 2dl0 h PRO 94 N 2.26 0.00 -5.53 2.90 0.13 -2.02 -3.46 132.00 126.28 2dl0 h PRO 94 Ca -0.12 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.44 2dl0 h PRO 94 Cb 1.19 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.47 2dl0 h PRO 94 CO 0.21 0.27 -0.91 0.45 -0.23 0.00 0.00 178.00 177.78 2dl0 n SER 95 N -3.56 -2.80 0.02 1.44 2.88 -1.26 -4.91 113.62 105.43 2dl0 n SER 95 Ca -0.01 0.72 -0.22 0.00 -1.33 0.00 0.00 58.87 58.03 2dl0 n SER 95 Cb 0.41 -0.81 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 2dl0 n SER 95 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dl0 h SER 96 N 0.23 0.42 0.00 -3.46 0.87 -2.06 -3.53 113.55 106.03 2dl0 h SER 96 Ca -0.35 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.34 2dl0 h SER 96 Cb 1.33 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dl0 h SER 96 CO 0.42 1.70 0.00 0.61 -0.53 0.00 0.00 176.83 179.03