#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 -1.34 1.61 2.88 -1.26 -5.15 113.62 110.36 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 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -2.00 -5.35 0.00 -3.46 2.88 -1.26 -4.99 113.62 99.44 2dl0 n SER 3 Ca 0.00 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2dl0 n SER 3 Cb 0.00 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.53 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 0.89 -2.37 1.63 0.46 0.00 -1.26 -4.98 105.19 99.56 2dl0 n GLY 4 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2dl0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dl0 n SER 5 N 0.00 -6.75 0.00 1.61 7.64 -1.26 -4.69 113.62 110.17 2dl0 n SER 5 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2dl0 n SER 5 Cb 0.00 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.86 2dl0 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dl0 n SER 6 N -4.25 0.00 0.00 6.43 2.88 -1.26 -4.22 113.62 113.19 2dl0 n SER 6 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2dl0 n SER 6 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2dl0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl0 n GLY 7 N 0.00 -1.95 0.00 0.46 0.00 -1.26 -5.07 105.19 97.37 2dl0 n GLY 7 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.12 3.52 3.75 -0.02 0.00 -1.26 -5.08 105.19 104.98 2dl0 n GLY 8 Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 2dl0 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dl0 s GLY 9 N 0.00 1.96 -0.39 -0.02 0.00 -1.26 -5.02 107.32 102.59 2dl0 s GLY 9 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 44.00 2dl0 s GLY 9 CO 0.00 -0.54 1.31 -0.10 0.00 0.00 0.00 173.10 173.78 2dl0 n LEU 10 N 1.99 5.34 -4.76 0.66 0.00 -1.26 -5.02 117.00 113.94 2dl0 n LEU 10 Ca -0.18 -4.80 -0.36 0.00 0.00 0.00 0.00 56.01 50.67 2dl0 n LEU 10 Cb 0.54 -0.48 -0.08 0.00 0.00 0.00 0.00 43.42 43.41 2dl0 n LEU 10 CO 0.30 2.04 -0.20 0.28 0.00 0.00 0.00 177.39 179.81 2dl0 s THR 11 N -4.85 5.21 -0.06 1.96 -1.32 -1.26 -5.08 115.64 110.23 2dl0 s THR 11 Ca 0.52 0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.81 2dl0 s THR 11 Cb 0.42 -3.32 0.10 0.00 -1.51 0.00 0.00 72.50 68.19 2dl0 s THR 11 CO -0.04 0.52 0.81 -1.61 -2.21 0.00 0.00 174.62 172.10 2dl0 s GLU 12 N -0.26 0.88 0.58 7.08 2.02 -1.26 -5.16 118.70 122.58 2dl0 s GLU 12 Ca 0.10 0.07 -0.18 0.00 0.02 0.00 0.00 54.97 54.98 2dl0 s GLU 12 Cb -0.12 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 2dl0 s GLU 12 CO 0.01 -0.31 1.11 0.96 0.02 0.00 0.00 175.26 177.05 2dl0 s ILE 13 N -1.69 3.30 -0.08 -1.63 -4.36 -1.26 -5.01 121.20 110.46 2dl0 s ILE 13 Ca -0.04 0.73 -0.08 0.00 -0.26 0.00 0.00 60.65 61.00 2dl0 s ILE 13 Cb -0.00 -3.26 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 2dl0 s ILE 13 CO 0.02 -0.25 -0.16 0.00 0.24 0.00 0.00 174.94 174.79 2dl0 n ARG 15 N -3.42 -0.26 -3.19 0.00 1.74 -1.26 -4.89 116.66 105.38 2dl0 n ARG 15 Ca -0.06 0.59 -0.36 0.00 -0.77 0.00 0.00 57.85 57.24 2dl0 n ARG 15 Cb 0.23 -0.76 -0.06 0.00 -1.02 0.00 0.00 32.46 30.85 2dl0 n ARG 15 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2dl0 s LYS 16 N -0.80 4.18 0.07 5.56 2.20 -1.26 -5.03 119.74 124.66 2dl0 s LYS 16 Ca 0.02 0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 56.08 2dl0 s LYS 16 Cb -0.00 -2.94 -0.07 0.00 -1.51 0.00 0.00 37.83 33.31 2dl0 s LYS 16 CO 0.04 0.45 1.39 -1.25 -0.36 0.00 0.00 175.35 175.62 2dl0 s PRO 17 N -1.86 4.31 -0.25 4.03 0.04 -1.26 -5.01 135.00 135.00 2dl0 s PRO 17 Ca 0.40 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 2dl0 s PRO 17 Cb -0.17 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2dl0 s PRO 17 CO 0.20 -0.48 0.02 0.14 0.04 0.00 0.00 177.00 176.93 2dl0 s VAL 18 N 1.56 3.80 0.53 -0.36 -7.23 -1.26 -4.98 120.40 112.45 2dl0 s VAL 18 Ca 0.64 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 2dl0 s VAL 18 Cb -0.35 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2dl0 s VAL 18 CO 0.29 0.32 0.00 -1.20 -0.31 0.00 0.00 175.10 174.20 2dl0 n SER 19 N 4.85 -8.17 0.00 4.85 7.64 -1.26 -4.48 113.62 117.05 2dl0 n SER 19 Ca -0.17 1.44 0.06 0.00 1.01 0.00 0.00 58.87 61.22 2dl0 n SER 19 Cb 0.50 -4.65 0.37 0.00 -1.01 0.00 0.00 64.21 59.43 2dl0 n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2dl0 n PRO 20 N -1.60 0.49 0.00 1.43 -0.04 -1.26 -4.71 135.00 129.30 2dl0 n PRO 20 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dl0 n PRO 20 Cb 0.19 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.03 1.78 3.68 0.55 0.00 -1.26 -5.13 105.19 104.79 2dl0 n GLY 21 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.70 2.81 0.00 0.00 1.01 -1.26 -4.89 121.20 117.17 2dl0 s ILE 23 Ca 0.28 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2dl0 s ILE 23 Cb -0.10 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2dl0 s ILE 23 CO 0.19 0.53 0.00 -1.20 0.00 0.00 0.00 174.94 174.46 2dl0 n SER 24 N 3.61 3.13 -4.29 3.58 7.64 -1.26 -5.01 113.62 121.01 2dl0 n SER 24 Ca -0.18 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.54 2dl0 n SER 24 Cb 0.53 0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 2dl0 n SER 24 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dl0 s SER 25 N -3.70 1.60 0.10 6.43 1.04 -1.26 -4.84 113.70 113.06 2dl0 s SER 25 Ca 0.00 -1.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.05 2dl0 s SER 25 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2dl0 s SER 25 CO 0.00 -0.52 1.22 0.52 0.98 0.00 0.00 173.24 175.43 2dl0 n VAL 26 N -0.34 -0.41 -0.32 5.02 0.31 -1.26 -0.15 118.33 121.17 2dl0 n VAL 26 Ca -0.06 1.89 0.00 0.00 -0.01 0.00 0.00 64.34 66.17 2dl0 n VAL 26 Cb 0.63 -2.38 0.07 0.00 -0.91 0.00 0.00 33.84 31.25 2dl0 n VAL 26 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2dl0 h SER 27 N 0.00 -1.15 -0.95 4.52 0.02 -1.93 0.99 113.55 115.04 2dl0 h SER 27 Ca 0.10 0.28 0.17 0.00 -0.84 0.00 0.00 61.79 61.50 2dl0 h SER 27 Cb 0.25 0.65 -0.08 0.00 0.14 0.00 0.00 62.40 63.35 2dl0 h SER 27 CO -0.57 -0.30 0.60 0.44 -1.14 0.00 0.00 176.83 175.87 2dl0 h ASP 28 N -0.03 0.67 0.07 3.07 5.19 -0.92 0.11 116.42 124.58 2dl0 h ASP 28 Ca 0.36 0.06 -0.24 0.00 -0.62 0.00 0.00 57.03 56.59 2dl0 h ASP 28 Cb 0.61 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.07 2dl0 h ASP 28 CO -0.91 0.29 -0.95 -0.25 -3.12 0.00 0.00 179.24 174.30 2dl0 h TRP 29 N 0.68 0.92 -0.29 4.55 7.01 0.16 -2.75 115.95 126.24 2dl0 h TRP 29 Ca 0.51 -0.48 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 2dl0 h TRP 29 Cb 0.88 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.81 2dl0 h TRP 29 CO -0.00 1.30 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.79 2dl0 h LEU 30 N 0.38 0.45 -0.18 0.65 3.38 0.11 -2.92 115.31 117.17 2dl0 h LEU 30 Ca -0.10 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2dl0 h LEU 30 Cb 1.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2dl0 h LEU 30 CO 0.18 0.58 -0.41 0.40 0.09 0.00 0.00 178.44 179.28 2dl0 h ILE 31 N 0.44 1.34 -0.13 1.22 2.04 -0.87 0.25 117.51 121.80 2dl0 h ILE 31 Ca 0.09 -1.66 0.04 0.00 1.00 0.00 0.00 64.86 64.32 2dl0 h ILE 31 Cb 0.42 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2dl0 h ILE 31 CO 0.02 0.51 0.29 -1.28 0.00 0.00 0.00 178.15 177.69 2dl0 h SER 32 N 0.25 0.00 0.00 1.72 0.87 -1.29 0.39 113.55 115.49 2dl0 h SER 32 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dl0 h SER 32 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2dl0 h SER 32 CO 0.09 0.00 -1.29 2.30 -0.53 0.00 0.00 176.83 177.40 2dl0 n ILE 33 N -3.29 0.00 -1.50 2.23 -5.35 -1.14 -4.99 119.36 105.32 2dl0 n ILE 33 Ca 0.01 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2dl0 n ILE 33 Cb 0.38 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.81 2.59 3.28 0.00 0.14 -4.99 105.19 108.44 2dl0 n GLY 34 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.03 2.55 0.03 0.99 4.77 0.83 -4.86 117.00 121.28 2dl0 n LEU 35 Ca 0.00 -3.91 0.08 0.00 -0.03 0.00 0.00 56.01 52.15 2dl0 n LEU 35 Cb 0.37 0.18 0.35 0.00 -2.33 0.00 0.00 43.42 41.99 2dl0 n LEU 35 CO 0.00 1.59 0.76 -0.81 -1.33 0.00 0.00 177.39 177.60 2dl0 n PRO 36 N -0.39 0.05 0.00 3.23 -0.04 -1.19 -2.67 135.00 133.98 2dl0 n PRO 36 Ca 0.19 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 2dl0 n PRO 36 Cb 0.81 -1.59 0.39 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.67 0.34 -0.00 0.54 0.00 -1.26 -1.62 117.12 113.44 2dl0 n MET 37 Ca 0.03 0.07 0.06 0.00 0.00 0.00 0.00 57.70 57.86 2dl0 n MET 37 Cb 0.18 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.82 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 -1.12 0.00 -0.41 3.17 4.01 -1.09 -4.61 117.16 117.11 2dl0 n TYR 38 Ca 0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.74 2dl0 n TYR 38 Cb 0.08 -0.10 -0.07 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.52 -0.52 0.16 -0.72 0.00 -0.64 0.44 120.51 117.71 2dl0 n ALA 39 Ca 0.01 0.88 0.01 0.00 0.00 0.00 0.00 53.44 54.34 2dl0 n ALA 39 Cb 0.24 -0.21 0.32 0.00 0.00 0.00 0.00 19.45 19.81 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 0.06 0.47 0.00 0.00 -1.83 -1.88 103.07 99.90 2dl0 h GLY 40 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2dl0 h GLY 40 CO -0.95 0.05 -0.23 -0.84 0.00 0.00 0.00 176.54 174.58 2dl0 h THR 41 N 0.05 0.00 -0.89 4.70 2.02 -0.26 -2.27 112.91 116.25 2dl0 h THR 41 Ca 0.00 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.16 2dl0 h THR 41 Cb 0.69 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2dl0 h THR 41 CO 0.05 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.46 2dl0 h LEU 42 N -0.68 0.99 -0.95 2.58 3.38 -0.96 -2.07 115.31 117.60 2dl0 h LEU 42 Ca -0.06 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.03 2dl0 h LEU 42 Cb 0.49 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 2dl0 h LEU 42 CO 0.11 0.69 0.57 -1.28 0.09 0.00 0.00 178.44 178.62 2dl0 h SER 43 N 1.15 0.78 -0.02 -0.43 0.87 -1.31 0.10 113.55 114.69 2dl0 h SER 43 Ca 0.34 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.90 2dl0 h SER 43 Cb -0.04 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2dl0 h SER 43 CO -0.09 0.36 -0.19 0.74 -0.53 0.00 0.00 176.83 177.12 2dl0 h THR 44 N 0.83 1.24 0.00 2.23 2.02 -0.76 -2.04 112.91 116.43 2dl0 h THR 44 Ca 0.50 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2dl0 h THR 44 Cb 0.63 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2dl0 h THR 44 CO -0.32 0.34 0.00 0.00 0.37 0.00 0.00 175.52 175.91 2dl0 h ALA 45 N 1.45 1.00 0.00 6.16 0.00 -0.77 -3.46 119.26 123.64 2dl0 h ALA 45 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dl0 h ALA 45 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 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 0.55 1.26 3.56 0.00 0.00 -0.77 -5.06 105.19 104.74 2dl0 n GLY 46 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.79 1.76 -0.03 1.61 0.08 -0.23 -4.54 117.98 114.83 2dl0 s PHE 47 Ca 0.00 0.73 0.03 0.00 0.12 0.00 0.00 56.93 57.81 2dl0 s PHE 47 Cb 0.00 -4.00 -0.04 0.00 -0.57 0.00 0.00 43.02 38.41 2dl0 s PHE 47 CO 0.00 -1.73 0.02 0.45 -0.10 0.00 0.00 175.22 173.85 2dl0 n SER 48 N 14.32 4.19 -4.86 1.36 2.88 -1.26 -3.54 113.62 126.71 2dl0 n SER 48 Ca 0.41 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.68 2dl0 n SER 48 Cb 0.47 0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 64.53 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 -2.10 4.89 -1.98 2.46 -4.23 -1.26 -4.39 115.64 109.03 2dl0 s THR 49 Ca -0.02 -0.83 0.29 0.00 -1.18 0.00 0.00 61.69 59.95 2dl0 s THR 49 Cb 0.01 -3.48 0.82 0.00 1.34 0.00 0.00 72.50 71.19 2dl0 s THR 49 CO 0.14 -0.05 2.07 0.18 -0.54 0.00 0.00 174.62 176.41 2dl0 n LEU 50 N -0.28 0.00 0.09 4.79 4.77 -1.26 -3.19 117.00 121.92 2dl0 n LEU 50 Ca -0.08 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 2dl0 n LEU 50 Cb 0.54 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2dl0 n LEU 50 CO 0.46 -0.00 0.30 0.28 -1.33 0.00 0.00 177.39 177.10 2dl0 h SER 51 N 0.00 0.13 0.80 -1.43 0.02 -2.00 -3.05 113.55 108.03 2dl0 h SER 51 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2dl0 h SER 51 Cb 0.01 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2dl0 h SER 51 CO 0.00 0.89 -0.17 0.00 -1.14 0.00 0.00 176.83 176.42 2dl0 n GLN 52 N -3.64 0.04 0.47 3.45 6.02 -1.19 -4.05 117.38 118.48 2dl0 n GLN 52 Ca -0.02 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.76 2dl0 n GLN 52 Cb 0.78 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.44 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 0.03 0.13 0.00 5.09 2.07 -1.69 -2.37 116.25 119.51 2dl0 h VAL 53 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2dl0 h VAL 53 Cb 0.49 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 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 -5.59 0.49 -0.28 1.57 -0.04 -1.26 -2.02 135.00 127.87 2dl0 n PRO 54 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2dl0 n PRO 54 Cb 0.47 -1.37 0.19 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.87 3.22 -3.80 3.54 2.88 -0.91 -4.77 113.62 112.91 2dl0 n SER 55 Ca 0.09 -2.77 -0.30 0.00 -1.33 0.00 0.00 58.87 54.56 2dl0 n SER 55 Cb 0.04 -0.42 0.27 0.00 -0.75 0.00 0.00 64.21 63.35 2dl0 n SER 55 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dl0 s LEU 56 N -2.36 -0.35 -0.28 2.46 1.43 -0.86 -5.04 118.68 113.67 2dl0 s LEU 56 Ca 0.33 1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 54.19 2dl0 s LEU 56 Cb 0.26 -2.61 0.15 0.00 0.03 0.00 0.00 46.19 44.02 2dl0 s LEU 56 CO 0.08 -4.89 1.20 -0.55 0.23 0.00 0.00 176.35 172.42 2dl0 s SER 57 N -3.06 -0.29 0.34 2.29 0.15 -1.26 -4.96 113.70 106.91 2dl0 s SER 57 Ca 0.69 0.54 0.15 0.00 0.70 0.00 0.00 55.95 58.03 2dl0 s SER 57 Cb -0.16 0.54 1.14 0.00 -1.71 0.00 0.00 66.02 65.83 2dl0 s SER 57 CO 0.60 -0.10 1.52 1.57 1.20 0.00 0.00 173.24 178.02 2dl0 n HIS 58 N 1.88 0.98 -0.08 3.44 -0.00 -1.26 0.14 115.22 120.32 2dl0 n HIS 58 Ca -0.11 1.14 -0.14 0.00 0.46 0.00 0.00 57.72 59.07 2dl0 n HIS 58 Cb 0.56 -1.45 -0.05 0.00 -0.12 0.00 0.00 29.99 28.94 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 1.30 0.20 3.57 2.02 -1.98 -2.37 112.91 115.64 2dl0 h THR 59 Ca 0.75 -1.62 0.01 0.00 0.77 0.00 0.00 66.41 66.32 2dl0 h THR 59 Cb 1.89 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.93 2dl0 h THR 59 CO -0.79 0.52 -0.35 0.00 0.37 0.00 0.00 175.52 175.27 2dl0 h LEU 61 N -0.63 0.79 -1.55 0.00 3.38 -1.38 -1.60 115.31 114.33 2dl0 h LEU 61 Ca 0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2dl0 h LEU 61 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2dl0 h LEU 61 CO -0.16 0.62 -0.10 1.56 0.09 0.00 0.00 178.44 180.45 2dl0 h GLN 62 N 0.91 0.17 -0.15 1.13 1.08 -0.83 -0.43 115.11 116.99 2dl0 h GLN 62 Ca 0.24 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.25 2dl0 h GLN 62 Cb -0.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2dl0 h GLN 62 CO -0.04 0.28 -0.58 0.93 -0.95 0.00 0.00 178.83 178.46 2dl0 h GLU 63 N 0.16 0.47 0.00 1.46 4.39 -0.04 -2.96 114.58 118.06 2dl0 h GLU 63 Ca 0.04 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 2dl0 h GLU 63 Cb 0.29 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2dl0 h GLU 63 CO 0.02 0.92 -0.24 0.00 -1.16 0.00 0.00 179.01 178.54 2dl0 h ALA 64 N 1.02 1.04 0.00 3.43 0.00 -1.14 -3.46 119.26 120.14 2dl0 h ALA 64 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dl0 h ALA 64 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dl0 h ALA 64 CO 0.10 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2dl0 n GLY 65 N 0.10 0.78 3.65 0.00 0.00 -0.98 -4.91 105.19 103.82 2dl0 n GLY 65 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.68 4.86 0.00 -0.61 1.01 -0.22 -4.87 121.20 119.68 2dl0 s ILE 66 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2dl0 s ILE 66 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2dl0 s ILE 66 CO 0.00 -0.04 0.00 0.35 0.00 0.00 0.00 174.94 175.25 2dl0 n THR 67 N 5.09 0.00 -1.52 2.92 -2.24 -1.26 -3.36 114.28 113.91 2dl0 n THR 67 Ca 0.05 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 2dl0 n THR 67 Cb 0.48 -0.75 -0.18 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.14 0.16 -0.21 -0.78 0.00 -1.26 -4.66 120.64 111.75 2dl0 n GLU 68 Ca 0.00 -0.24 0.30 0.00 0.00 0.00 0.00 57.16 57.22 2dl0 n GLU 68 Cb 0.48 -1.78 0.59 0.00 0.00 0.00 0.00 31.44 30.73 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 11.52 0.00 -0.41 3.44 4.81 -1.98 0.96 114.58 132.92 2dl0 h GLU 69 Ca 0.03 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2dl0 h GLU 69 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2dl0 h GLU 69 CO 1.45 0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 179.56 2dl0 h ARG 70 N 0.00 0.83 0.17 1.92 2.47 -2.01 -2.38 114.38 115.38 2dl0 h ARG 70 Ca 0.48 -0.35 -0.30 0.00 -1.26 0.00 0.00 59.98 58.55 2dl0 h ARG 70 Cb 2.50 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 30.81 2dl0 h ARG 70 CO -0.01 0.98 -1.37 0.45 0.56 0.00 0.00 179.97 180.59 2dl0 h HIS 71 N 0.65 0.65 -0.27 3.04 3.86 0.52 -3.19 115.15 120.40 2dl0 h HIS 71 Ca 0.10 -0.47 0.03 0.00 -1.16 0.00 0.00 60.37 58.87 2dl0 h HIS 71 Cb 0.72 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 2dl0 h HIS 71 CO 0.05 1.39 0.08 0.82 0.86 0.00 0.00 177.93 181.13 2dl0 h ILE 72 N 0.10 0.91 -0.70 2.45 2.04 -1.09 -0.02 117.51 121.19 2dl0 h ILE 72 Ca -0.19 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2dl0 h ILE 72 Cb 2.04 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2dl0 h ILE 72 CO 0.22 0.03 0.40 0.03 0.00 0.00 0.00 178.15 178.83 2dl0 h ARG 73 N 0.19 0.96 -0.43 2.37 2.47 -1.54 0.11 114.38 118.51 2dl0 h ARG 73 Ca 0.12 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2dl0 h ARG 73 Cb 0.10 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 2dl0 h ARG 73 CO -0.14 0.70 0.22 -0.22 0.56 0.00 0.00 179.97 181.10 2dl0 h LYS 74 N 0.95 0.60 -0.11 0.04 3.64 -1.43 0.12 116.57 120.39 2dl0 h LYS 74 Ca 0.25 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2dl0 h LYS 74 Cb 0.01 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2dl0 h LYS 74 CO -0.04 0.50 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.55 2dl0 h LEU 75 N 0.55 0.20 -1.14 5.20 3.38 -0.72 0.13 115.31 122.91 2dl0 h LEU 75 Ca 0.15 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2dl0 h LEU 75 Cb 0.08 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2dl0 h LEU 75 CO -0.02 0.49 0.50 -0.07 0.09 0.00 0.00 178.44 179.43 2dl0 h LEU 76 N -0.10 0.95 -0.13 1.67 3.38 -0.69 -0.12 115.31 120.27 2dl0 h LEU 76 Ca 0.03 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 2dl0 h LEU 76 Cb 0.40 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.92 2dl0 h LEU 76 CO 0.01 0.72 -0.61 -1.28 0.09 0.00 0.00 178.44 177.37 2dl0 h SER 77 N 1.10 0.76 0.34 -0.43 0.87 -0.67 -2.79 113.55 112.74 2dl0 h SER 77 Ca 0.29 -0.63 -0.04 0.00 -1.23 0.00 0.00 61.79 60.17 2dl0 h SER 77 Cb -0.06 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 2dl0 h SER 77 CO -0.06 1.27 -0.21 0.00 -0.53 0.00 0.00 176.83 177.30 2dl0 h ALA 78 N 0.51 1.41 -0.08 6.23 0.00 -0.41 -2.61 119.26 124.31 2dl0 h ALA 78 Ca -0.04 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 2dl0 h ALA 78 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2dl0 h ALA 78 CO 0.13 0.27 -0.90 0.00 0.00 0.00 0.00 179.25 178.75 2dl0 h ALA 79 N 1.79 0.25 0.00 0.00 0.00 -0.97 -3.10 119.26 117.22 2dl0 h ALA 79 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2dl0 h ALA 79 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dl0 h ALA 79 CO 0.03 0.70 -0.02 0.00 0.00 0.00 0.00 179.25 179.96 2dl0 h ARG 80 N 0.45 0.00 -0.01 0.00 3.08 -1.20 -2.02 114.38 114.68 2dl0 h ARG 80 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2dl0 h ARG 80 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2dl0 h ARG 80 CO 0.18 0.02 -0.12 1.28 -1.07 0.00 0.00 179.97 180.25 2dl0 n LEU 81 N -3.12 0.92 -4.52 3.04 4.77 -1.01 -4.75 117.00 112.33 2dl0 n LEU 81 Ca 0.00 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 2dl0 n LEU 81 Cb 0.30 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2dl0 n LEU 81 CO 0.27 0.16 0.97 0.12 -1.33 0.00 0.00 177.39 177.59 2dl0 s PHE 82 N -2.31 2.50 -0.49 -1.77 5.36 -0.76 -4.98 117.98 115.53 2dl0 s PHE 82 Ca 0.31 -0.18 -0.16 0.00 -0.96 0.00 0.00 56.93 55.95 2dl0 s PHE 82 Cb 0.20 -4.44 0.08 0.00 -0.34 0.00 0.00 43.02 38.52 2dl0 s PHE 82 CO 0.44 -1.81 0.43 0.21 -1.46 0.00 0.00 175.22 173.04 2dl0 s LYS 83 N 4.90 2.99 0.37 10.12 2.20 -1.26 -4.87 119.74 134.18 2dl0 s LYS 83 Ca 0.31 -1.40 -0.26 0.00 -0.36 0.00 0.00 55.97 54.26 2dl0 s LYS 83 Cb -0.12 -4.17 -0.09 0.00 -1.51 0.00 0.00 37.83 31.95 2dl0 s LYS 83 CO 0.15 -1.11 1.08 -0.51 -0.36 0.00 0.00 175.35 174.60 2dl0 s LEU 84 N 1.70 4.26 0.52 5.43 1.43 -1.26 -5.02 118.68 125.74 2dl0 s LEU 84 Ca 0.04 2.14 -0.21 0.00 -1.03 0.00 0.00 54.13 55.08 2dl0 s LEU 84 Cb -0.25 -4.01 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 2dl0 s LEU 84 CO 0.06 -0.42 1.14 -2.16 0.23 0.00 0.00 176.35 175.20 2dl0 s PRO 85 N -2.18 3.48 0.38 1.29 0.04 -1.26 -5.00 135.00 131.75 2dl0 s PRO 85 Ca 0.54 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 2dl0 s PRO 85 Cb -0.26 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 2dl0 s PRO 85 CO 0.33 -0.75 1.20 -1.25 0.04 0.00 0.00 177.00 176.56 2dl0 s PRO 86 N -3.10 4.13 0.00 0.56 0.04 -1.26 -4.93 135.00 130.44 2dl0 s PRO 86 Ca 0.70 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2dl0 s PRO 86 Cb -0.25 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2dl0 s PRO 86 CO 0.29 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2dl0 n GLY 87 N 0.71 0.06 0.00 0.56 0.00 -1.26 -5.00 105.19 100.26 2dl0 n GLY 87 Ca 0.03 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.41 1.61 -0.04 -1.26 -4.90 135.00 128.49 2dl0 n PRO 88 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2dl0 n PRO 88 Cb 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.88 -2.48 -1.15 0.54 1.02 -1.26 -4.88 120.64 111.55 2dl0 n GLU 89 Ca 0.09 2.13 0.13 0.00 -0.02 0.00 0.00 57.16 59.49 2dl0 n GLU 89 Cb 0.04 -4.29 -0.05 0.00 -0.02 0.00 0.00 31.44 27.12 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 0.40 -3.24 -2.75 0.62 0.00 -1.26 -4.86 120.51 109.41 2dl0 n ALA 90 Ca 0.01 0.47 -0.27 0.00 0.00 0.00 0.00 53.44 53.66 2dl0 n ALA 90 Cb 0.05 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 2dl0 n ALA 90 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dl0 s MET 91 N -3.15 3.52 -0.09 0.00 -1.94 -1.26 -5.05 119.30 111.34 2dl0 s MET 91 Ca 0.00 -0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 53.53 2dl0 s MET 91 Cb 0.00 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.94 2dl0 s MET 91 CO 0.00 0.37 0.40 1.03 -0.01 0.00 0.00 175.02 176.81 2dl0 h SER 92 N 1.82 -0.11 -5.00 3.03 0.87 -1.96 -3.51 113.55 108.70 2dl0 h SER 92 Ca -0.48 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 2dl0 h SER 92 Cb 1.20 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dl0 h SER 92 CO 0.67 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 2dl0 n GLY 93 N 1.30 -0.41 0.00 5.77 0.00 -1.26 -5.08 105.19 105.52 2dl0 n GLY 93 Ca -0.04 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.57 -0.20 -2.97 1.61 -0.04 -1.26 -4.77 135.00 126.80 2dl0 n PRO 94 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2dl0 n PRO 94 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 2dl0 n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dl0 n SER 95 N -1.77 -7.34 -4.58 3.54 7.64 -1.26 -4.90 113.62 104.94 2dl0 n SER 95 Ca 0.00 0.76 -0.34 0.00 1.01 0.00 0.00 58.87 60.31 2dl0 n SER 95 Cb 0.00 -4.01 0.12 0.00 -1.01 0.00 0.00 64.21 59.31 2dl0 n SER 95 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dl0 n SER 96 N 0.46 -0.18 0.00 6.43 2.88 -1.26 -5.21 113.62 116.73 2dl0 n SER 96 Ca 0.02 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2dl0 n SER 96 Cb 0.32 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2dl0 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42