#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fde s GLN 2 N 0.00 3.31 -0.31 0.54 0.74 -1.26 -4.99 119.66 117.69 2fde s GLN 2 Ca 0.00 -1.23 -0.29 0.00 0.05 0.00 0.00 55.36 53.89 2fde s GLN 2 Cb 0.00 -4.54 0.01 0.00 1.10 0.00 0.00 33.01 29.58 2fde s GLN 2 CO 0.00 -1.80 1.19 0.42 -0.55 0.00 0.00 175.29 174.55 2fde s ILE 3 N 3.50 4.32 0.82 -2.34 1.01 -1.26 -5.02 121.20 122.23 2fde s ILE 3 Ca 0.26 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.31 2fde s ILE 3 Cb -0.12 -4.28 0.08 0.00 0.01 0.00 0.00 42.46 38.15 2fde s ILE 3 CO 0.02 -0.47 1.12 0.28 0.00 0.00 0.00 174.94 175.88 2fde s THR 4 N 3.98 2.68 -0.30 2.92 -1.32 -1.26 -5.02 115.64 117.32 2fde s THR 4 Ca 0.51 0.22 0.07 0.00 -1.21 0.00 0.00 61.69 61.28 2fde s THR 4 Cb -0.15 -3.03 0.46 0.00 -1.51 0.00 0.00 72.50 68.27 2fde s THR 4 CO 0.19 -0.29 1.26 0.18 -2.21 0.00 0.00 174.62 173.75 2fde n LEU 5 N -3.46 4.78 -0.18 9.08 4.77 -1.26 -4.61 117.00 126.12 2fde n LEU 5 Ca 0.07 -4.57 0.12 0.00 -0.03 0.00 0.00 56.01 51.60 2fde n LEU 5 Cb 0.58 -0.42 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 2fde n LEU 5 CO 0.57 1.94 0.55 0.79 -1.33 0.00 0.00 177.39 179.91 2fde n TRP 6 N -0.80 0.00 -3.96 -1.77 7.02 -1.26 -4.82 117.44 111.85 2fde n TRP 6 Ca 0.41 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.80 2fde n TRP 6 Cb 0.91 -0.15 -0.12 0.00 -2.42 0.00 0.00 31.31 29.54 2fde n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2fde s GLN 7 N -2.66 0.25 0.18 -0.99 -1.52 -1.26 -5.12 119.66 108.55 2fde s GLN 7 Ca 0.20 -0.49 -0.33 0.00 -1.95 0.00 0.00 55.36 52.78 2fde s GLN 7 Cb 0.19 0.08 -0.15 0.00 -0.22 0.00 0.00 33.01 32.91 2fde s GLN 7 CO 0.59 -0.04 1.41 0.54 -0.25 0.00 0.00 175.29 177.54 2fde n ARG 8 N 1.89 1.77 -2.13 2.91 1.74 -1.26 -4.80 116.66 116.78 2fde n ARG 8 Ca -0.22 0.63 -0.30 0.00 -0.77 0.00 0.00 57.85 57.20 2fde n ARG 8 Cb 0.56 -2.30 -0.05 0.00 -1.02 0.00 0.00 32.46 29.65 2fde n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fde n PRO 9 N 2.52 1.81 -3.45 5.56 -0.04 -1.26 -4.93 135.00 135.21 2fde n PRO 9 Ca 0.15 -2.58 -0.38 0.00 -0.04 0.00 0.00 63.50 60.65 2fde n PRO 9 Cb 0.27 -3.71 -0.06 0.00 -0.04 0.00 0.00 33.50 29.97 2fde n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fde s LEU 10 N 10.20 4.48 0.19 1.53 1.43 -1.26 -0.86 118.68 134.39 2fde s LEU 10 Ca 0.67 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2fde s LEU 10 Cb -0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2fde s LEU 10 CO 0.13 0.30 0.13 0.68 0.23 0.00 0.00 176.35 177.82 2fde s VAL 11 N -1.00 0.02 -0.26 -1.59 -7.23 -0.43 -4.98 120.40 104.93 2fde s VAL 11 Ca 0.25 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 2fde s VAL 11 Cb -0.17 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2fde s VAL 11 CO 0.14 -0.08 0.34 -0.89 -0.31 0.00 0.00 175.10 174.30 2fde s THR 12 N -4.13 5.21 0.30 5.32 2.01 -1.26 -1.47 115.64 121.61 2fde s THR 12 Ca 0.36 0.52 0.09 0.00 0.31 0.00 0.00 61.69 62.97 2fde s THR 12 Cb 0.07 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2fde s THR 12 CO 0.10 0.20 0.07 0.27 -0.69 0.00 0.00 174.62 174.56 2fde s ILE 13 N 1.84 3.26 -0.17 1.82 -4.36 0.02 0.37 121.20 123.98 2fde s ILE 13 Ca 0.14 -1.80 -0.04 0.00 -0.26 0.00 0.00 60.65 58.69 2fde s ILE 13 Cb -0.15 -2.92 0.06 0.00 1.25 0.00 0.00 42.46 40.69 2fde s ILE 13 CO 0.09 -0.28 0.07 -0.75 0.24 0.00 0.00 174.94 174.31 2fde s LYS 14 N -3.76 0.23 0.02 0.37 2.20 0.56 -1.63 119.74 117.73 2fde s LYS 14 Ca 0.34 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 2fde s LYS 14 Cb -0.04 -1.87 -0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2fde s LYS 14 CO 0.21 -0.65 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.00 2fde s ILE 15 N 2.06 0.33 -1.62 5.43 2.07 -0.31 -1.75 121.20 127.41 2fde s ILE 15 Ca 0.01 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 2fde s ILE 15 Cb -0.16 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.04 2fde s ILE 15 CO -0.09 -0.27 0.19 0.61 -1.91 0.00 0.00 174.94 173.48 2fde n GLY 16 N 1.99 -0.45 2.71 1.50 0.00 -1.26 -0.56 105.19 109.12 2fde n GLY 16 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2fde n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fde n GLY 17 N -1.18 0.16 3.50 -0.02 0.00 -1.26 -4.96 105.19 101.42 2fde n GLY 17 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2fde n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fde s GLN 18 N -1.37 1.79 -0.12 1.61 -0.21 0.28 -5.13 119.66 116.52 2fde s GLN 18 Ca 0.00 -1.30 -0.05 0.00 0.02 0.00 0.00 55.36 54.03 2fde s GLN 18 Cb 0.00 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2fde s GLN 18 CO 0.00 0.44 0.08 -0.51 -2.12 0.00 0.00 175.29 173.18 2fde s LEU 19 N -2.49 4.02 0.16 2.90 1.43 -1.26 -1.16 118.68 122.27 2fde s LEU 19 Ca 0.21 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 2fde s LEU 19 Cb -0.09 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2fde s LEU 19 CO 0.11 0.36 0.18 -0.54 0.23 0.00 0.00 176.35 176.69 2fde s LYS 20 N -0.74 1.08 -0.23 1.70 1.02 -0.65 -5.00 119.74 116.92 2fde s LYS 20 Ca 0.12 -1.34 -0.05 0.00 0.02 0.00 0.00 55.97 54.73 2fde s LYS 20 Cb -0.12 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 2fde s LYS 20 CO 0.03 -0.36 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.08 2fde s GLU 21 N -4.03 3.36 0.33 1.68 2.12 -1.26 -0.80 118.70 120.11 2fde s GLU 21 Ca 0.23 -0.64 0.10 0.00 0.36 0.00 0.00 54.97 55.01 2fde s GLU 21 Cb 0.05 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.28 2fde s GLU 21 CO 0.03 -0.23 -0.09 0.00 -0.54 0.00 0.00 175.26 174.42 2fde s ALA 22 N 1.50 2.97 -0.15 6.30 0.00 -0.54 -4.56 121.76 127.27 2fde s ALA 22 Ca 0.05 -2.04 -0.09 0.00 0.00 0.00 0.00 51.96 49.88 2fde s ALA 22 Cb -0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2fde s ALA 22 CO -0.02 0.11 0.16 -1.17 0.00 0.00 0.00 175.76 174.84 2fde s LEU 23 N -3.61 4.32 -0.45 0.00 2.96 0.33 -1.31 118.68 120.92 2fde s LEU 23 Ca 0.32 0.41 -0.25 0.00 -0.22 0.00 0.00 54.13 54.39 2fde s LEU 23 Cb 0.01 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.61 2fde s LEU 23 CO 0.17 0.31 0.87 -0.76 -1.32 0.00 0.00 176.35 175.61 2fde s LEU 24 N -0.44 4.10 -0.28 -0.68 1.43 -0.04 -0.81 118.68 121.95 2fde s LEU 24 Ca 0.13 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2fde s LEU 24 Cb -0.12 -3.11 0.06 0.00 0.03 0.00 0.00 46.19 43.05 2fde s LEU 24 CO 0.02 -0.98 -0.05 -0.62 0.23 0.00 0.00 176.35 174.95 2fde s ASP 25 N 2.18 4.62 0.27 2.29 -1.08 -0.82 -4.77 116.67 119.35 2fde s ASP 25 Ca 0.34 -1.50 0.08 0.00 -0.52 0.00 0.00 52.55 50.95 2fde s ASP 25 Cb -0.11 -1.61 0.36 0.00 -1.46 0.00 0.00 42.92 40.10 2fde s ASP 25 CO 0.24 -0.24 1.62 0.71 0.52 0.00 0.00 175.17 178.02 2fde h THR 26 N 6.67 1.39 -0.31 1.71 1.35 -1.95 -2.95 112.91 118.81 2fde h THR 26 Ca -0.17 -1.90 -0.18 0.00 -0.55 0.00 0.00 66.41 63.60 2fde h THR 26 Cb 1.04 1.98 -0.09 0.00 -1.73 0.00 0.00 68.15 69.35 2fde h THR 26 CO 0.49 0.55 0.23 0.61 -0.25 0.00 0.00 175.52 177.16 2fde n GLY 27 N 0.13 3.09 2.85 5.82 0.00 -1.26 -4.68 105.19 111.14 2fde n GLY 27 Ca -0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2fde n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fde s ALA 28 N -1.10 1.38 0.26 4.61 0.00 -1.11 -4.98 121.76 120.81 2fde s ALA 28 Ca 0.19 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 2fde s ALA 28 Cb 0.15 -1.16 0.32 0.00 0.00 0.00 0.00 23.12 22.43 2fde s ALA 28 CO 0.02 -0.93 1.75 -0.44 0.00 0.00 0.00 175.76 176.16 2fde h ASP 29 N 8.14 0.77 -2.19 0.00 3.45 -1.88 0.74 116.42 125.45 2fde h ASP 29 Ca -0.21 -0.19 -0.61 0.00 0.43 0.00 0.00 57.03 56.46 2fde h ASP 29 Cb 1.11 -0.20 -0.14 0.00 -0.56 0.00 0.00 39.33 39.53 2fde h ASP 29 CO 0.38 0.84 -0.74 -1.81 -1.57 0.00 0.00 179.24 176.34 2fde s ASP 30 N -6.65 3.58 -0.14 6.45 1.01 -1.26 -2.70 116.67 116.97 2fde s ASP 30 Ca -0.09 -1.07 -0.16 0.00 0.71 0.00 0.00 52.55 51.93 2fde s ASP 30 Cb 0.15 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2fde s ASP 30 CO 0.81 -0.03 0.40 -0.89 0.21 0.00 0.00 175.17 175.68 2fde s THR 31 N -2.56 5.23 -0.05 -1.27 2.01 -1.26 -3.27 115.64 114.47 2fde s THR 31 Ca 0.30 0.79 0.02 0.00 0.31 0.00 0.00 61.69 63.11 2fde s THR 31 Cb -0.03 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.75 2fde s THR 31 CO 0.15 0.34 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.65 2fde s VAL 32 N 0.61 0.83 0.03 3.82 1.01 0.14 -2.10 120.40 124.74 2fde s VAL 32 Ca 0.22 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2fde s VAL 32 Cb -0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2fde s VAL 32 CO 0.08 0.28 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 2fde s LEU 33 N 0.73 2.14 1.10 3.92 1.43 0.29 0.78 118.68 129.07 2fde s LEU 33 Ca -0.13 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 2fde s LEU 33 Cb -0.15 -1.06 0.13 0.00 0.03 0.00 0.00 46.19 45.14 2fde s LEU 33 CO 0.02 0.20 0.27 -0.62 0.23 0.00 0.00 176.35 176.45 2fde n GLU 34 N 1.99 -1.52 -1.66 1.70 1.02 -1.26 -1.86 120.64 119.04 2fde n GLU 34 Ca -0.17 -0.42 -0.44 0.00 -0.02 0.00 0.00 57.16 56.11 2fde n GLU 34 Cb 0.53 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2fde n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2fde n GLU 35 N -2.56 1.92 -3.52 3.49 4.07 -1.24 -4.48 120.64 118.32 2fde n GLU 35 Ca 0.02 0.68 -0.09 0.00 -0.06 0.00 0.00 57.16 57.71 2fde n GLU 35 Cb 0.59 -2.25 -0.02 0.00 -0.06 0.00 0.00 31.44 29.69 2fde n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fde s MET 36 N -1.11 0.76 -0.13 5.31 0.23 -1.26 -5.04 119.30 118.06 2fde s MET 36 Ca 0.62 -0.22 -0.29 0.00 -1.03 0.00 0.00 55.69 54.77 2fde s MET 36 Cb -0.64 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 32.98 2fde s MET 36 CO 0.56 -0.32 1.52 -1.12 -2.03 0.00 0.00 175.02 173.63 2fde s SER 37 N -2.26 6.68 -0.05 -1.18 0.01 -1.26 -4.98 113.70 110.65 2fde s SER 37 Ca 0.04 1.91 -0.02 0.00 1.31 0.00 0.00 55.95 59.19 2fde s SER 37 Cb -0.01 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.72 2fde s SER 37 CO -0.07 -0.96 0.10 -0.22 0.41 0.00 0.00 173.24 172.51 2fde s LEU 38 N 4.15 0.44 0.48 2.44 2.96 -1.26 -4.87 118.68 123.03 2fde s LEU 38 Ca 0.67 0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 54.61 2fde s LEU 38 Cb -0.28 0.13 -0.09 0.00 0.50 0.00 0.00 46.19 46.46 2fde s LEU 38 CO 0.25 -0.19 0.96 -2.16 -1.32 0.00 0.00 176.35 173.88 2fde s PRO 39 N 1.69 4.01 0.00 0.98 0.04 -1.26 -4.98 135.00 135.48 2fde s PRO 39 Ca -0.03 0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2fde s PRO 39 Cb -0.12 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2fde s PRO 39 CO -0.05 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2fde n GLY 40 N -1.32 1.73 3.54 0.56 0.00 -1.26 -5.05 105.19 103.38 2fde n GLY 40 Ca 0.06 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 2fde n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fde s ARG 41 N -2.22 -1.27 0.30 1.61 1.70 -1.26 -5.08 118.95 112.73 2fde s ARG 41 Ca 0.00 0.17 -0.19 0.00 -0.47 0.00 0.00 55.73 55.24 2fde s ARG 41 Cb 0.00 -1.57 0.06 0.00 -0.57 0.00 0.00 34.95 32.87 2fde s ARG 41 CO 0.00 -3.79 0.87 1.67 -1.08 0.00 0.00 175.30 172.97 2fde s TRP 42 N -2.79 0.06 -0.08 5.89 -0.00 -1.26 -4.69 118.94 116.06 2fde s TRP 42 Ca 0.69 -0.60 -0.05 0.00 -0.00 0.00 0.00 56.10 56.14 2fde s TRP 42 Cb -0.14 0.77 0.04 0.00 -0.00 0.00 0.00 33.47 34.14 2fde s TRP 42 CO 0.58 -1.30 0.19 0.15 -0.00 0.00 0.00 176.95 176.57 2fde s LYS 43 N -2.50 0.16 0.77 3.25 1.02 -0.56 -4.90 119.74 116.98 2fde s LYS 43 Ca 0.17 0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.42 2fde s LYS 43 Cb -0.04 -0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.23 2fde s LYS 43 CO 0.09 -0.14 1.22 -2.14 -0.92 0.00 0.00 175.35 173.46 2fde s PRO 44 N 0.99 1.85 -0.27 -1.68 0.02 -1.26 -0.74 135.00 133.90 2fde s PRO 44 Ca -0.07 1.82 -0.26 0.00 0.02 0.00 0.00 61.00 62.51 2fde s PRO 44 Cb -0.09 -1.79 0.16 0.00 0.02 0.00 0.00 34.50 32.80 2fde s PRO 44 CO -0.06 -2.07 1.23 0.21 -0.33 0.00 0.00 177.00 175.98 2fde s LYS 45 N -3.97 0.29 -0.02 5.54 2.20 -0.29 -4.81 119.74 118.69 2fde s LYS 45 Ca 0.75 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 56.65 2fde s LYS 45 Cb -0.30 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.12 2fde s LYS 45 CO 0.48 -0.05 -0.03 -1.64 -0.36 0.00 0.00 175.35 173.75 2fde s MET 46 N -0.14 2.74 0.08 4.03 -1.94 -1.26 0.14 119.30 122.95 2fde s MET 46 Ca 0.05 -0.61 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 2fde s MET 46 Cb -0.04 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.14 2fde s MET 46 CO -0.09 0.63 -0.12 0.96 -0.01 0.00 0.00 175.02 176.39 2fde s ILE 47 N -1.00 1.03 -0.15 2.53 -4.36 -0.02 -4.94 121.20 114.28 2fde s ILE 47 Ca 0.17 -1.39 -0.03 0.00 -0.26 0.00 0.00 60.65 59.14 2fde s ILE 47 Cb -0.11 -1.12 -0.03 0.00 1.25 0.00 0.00 42.46 42.45 2fde s ILE 47 CO 0.07 -0.33 -0.05 -0.83 0.24 0.00 0.00 174.94 174.04 2fde s GLY 48 N -1.94 1.69 0.00 6.27 0.00 -1.26 -1.16 107.32 110.92 2fde s GLY 48 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2fde s GLY 48 CO 0.02 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.66 2fde n GLY 49 N 3.57 3.70 0.16 0.20 0.00 0.11 -4.98 105.19 107.95 2fde n GLY 49 Ca -0.17 -2.02 0.04 0.00 0.00 0.00 0.00 46.02 43.87 2fde n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fde h ILE 50 N 0.00 0.72 0.00 -0.61 2.10 -2.03 -3.30 117.51 114.38 2fde h ILE 50 Ca 0.00 -1.96 0.00 0.00 1.08 0.00 0.00 64.86 63.98 2fde h ILE 50 Cb 0.00 2.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 2fde h ILE 50 CO 0.00 0.40 -1.45 0.61 -1.08 0.00 0.00 178.15 176.63 2fde n GLY 51 N 1.12 -1.26 0.00 8.18 0.00 -1.26 -5.08 105.19 106.89 2fde n GLY 51 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2fde n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fde n GLY 52 N 1.22 -0.49 3.29 -0.02 0.00 -1.25 -5.14 105.19 102.80 2fde n GLY 52 Ca -0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 2fde n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fde s PHE 53 N -2.27 1.58 0.01 1.61 0.08 -1.26 0.05 117.98 117.77 2fde s PHE 53 Ca 0.00 -0.55 -0.03 0.00 0.12 0.00 0.00 56.93 56.47 2fde s PHE 53 Cb 0.00 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2fde s PHE 53 CO 0.00 0.24 0.05 0.96 -0.10 0.00 0.00 175.22 176.36 2fde s ILE 54 N -2.34 0.09 -0.23 0.64 -4.36 -0.31 -4.96 121.20 109.72 2fde s ILE 54 Ca 0.14 -0.72 -0.12 0.00 -0.26 0.00 0.00 60.65 59.69 2fde s ILE 54 Cb -0.04 -0.31 -0.05 0.00 1.25 0.00 0.00 42.46 43.31 2fde s ILE 54 CO 0.05 -0.39 0.25 -0.54 0.24 0.00 0.00 174.94 174.54 2fde s LYS 55 N -1.25 4.10 0.16 0.37 1.02 -1.26 -0.84 119.74 122.04 2fde s LYS 55 Ca -0.14 -0.10 0.06 0.00 0.02 0.00 0.00 55.97 55.81 2fde s LYS 55 Cb -0.08 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 2fde s LYS 55 CO 0.00 0.00 -0.13 0.14 -0.92 0.00 0.00 175.35 174.44 2fde s VAL 56 N 1.22 1.45 0.19 3.17 -7.23 0.38 -4.52 120.40 115.06 2fde s VAL 56 Ca 0.12 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 2fde s VAL 56 Cb -0.14 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 2fde s VAL 56 CO 0.06 -0.60 0.66 -0.13 -0.31 0.00 0.00 175.10 174.77 2fde s ARG 57 N -3.44 4.16 -0.23 4.82 0.52 0.19 -1.13 118.95 123.83 2fde s ARG 57 Ca 0.17 0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 56.10 2fde s ARG 57 Cb -0.01 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.56 2fde s ARG 57 CO 0.04 0.44 -0.08 -1.14 0.02 0.00 0.00 175.30 174.57 2fde s GLN 58 N -1.92 2.97 -0.10 3.54 0.74 0.08 -0.55 119.66 124.42 2fde s GLN 58 Ca 0.40 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 2fde s GLN 58 Cb -0.16 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 2fde s GLN 58 CO 0.20 -0.33 -0.04 0.71 -0.55 0.00 0.00 175.29 175.29 2fde s TYR 59 N 1.35 3.02 0.06 1.67 1.51 0.66 -1.49 117.35 124.13 2fde s TYR 59 Ca 0.02 -0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.08 2fde s TYR 59 Cb -0.16 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2fde s TYR 59 CO -0.06 0.23 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.02 2fde s ASP 60 N -0.39 4.51 -1.27 2.29 1.01 -1.26 0.38 116.67 121.94 2fde s ASP 60 Ca 0.06 -0.28 -0.01 0.00 0.71 0.00 0.00 52.55 53.04 2fde s ASP 60 Cb -0.12 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 42.86 2fde s ASP 60 CO 0.02 0.22 0.87 0.00 0.21 0.00 0.00 175.17 176.49 2fde n GLN 61 N 1.07 -5.86 -3.55 8.23 6.02 -0.46 -4.93 117.38 117.90 2fde n GLN 61 Ca -0.14 0.73 -0.41 0.00 -0.01 0.00 0.00 57.00 57.17 2fde n GLN 61 Cb 0.52 -5.54 -0.11 0.00 1.02 0.00 0.00 30.24 26.14 2fde n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2fde s ILE 62 N -3.50 4.89 0.29 5.09 -1.09 -0.36 -4.80 121.20 121.72 2fde s ILE 62 Ca 0.05 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 2fde s ILE 62 Cb -0.02 -3.68 -0.12 0.00 -1.58 0.00 0.00 42.46 37.06 2fde s ILE 62 CO 0.77 -0.21 1.59 -0.11 -1.23 0.00 0.00 174.94 175.75 2fde n LEU 63 N 5.06 4.29 -3.75 2.97 7.94 -1.26 -3.26 117.00 128.99 2fde n LEU 63 Ca -0.12 1.15 -0.13 0.00 -1.11 0.00 0.00 56.01 55.79 2fde n LEU 63 Cb 0.47 -1.58 -0.09 0.00 0.53 0.00 0.00 43.42 42.75 2fde n LEU 63 CO 0.38 0.12 0.03 -0.51 -1.11 0.00 0.00 177.39 176.30 2fde s ILE 64 N -0.00 0.05 -0.16 1.96 2.07 0.10 -4.58 121.20 120.63 2fde s ILE 64 Ca 0.64 -0.42 -0.00 0.00 -1.41 0.00 0.00 60.65 59.46 2fde s ILE 64 Cb -0.50 -0.61 -0.00 0.00 0.13 0.00 0.00 42.46 41.48 2fde s ILE 64 CO 0.48 -0.23 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.53 2fde s GLU 65 N -1.18 3.23 -0.24 3.50 2.02 -0.72 -0.45 118.70 124.86 2fde s GLU 65 Ca -0.12 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 2fde s GLU 65 Cb -0.05 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.54 2fde s GLU 65 CO 0.04 -0.01 -0.07 0.42 0.02 0.00 0.00 175.26 175.67 2fde s ILE 66 N 0.88 2.88 -1.58 -1.63 1.01 -0.15 -0.32 121.20 122.29 2fde s ILE 66 Ca -0.04 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 2fde s ILE 66 Cb -0.15 -2.44 0.08 0.00 0.01 0.00 0.00 42.46 39.95 2fde s ILE 66 CO -0.01 0.23 0.47 0.00 0.00 0.00 0.00 174.94 175.63 2fde n GLY 68 N -1.83 3.23 3.67 0.00 0.00 -1.26 -5.02 105.19 103.97 2fde n GLY 68 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2fde n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fde s HIS 69 N -2.17 3.37 0.33 1.61 4.02 -0.04 -5.06 115.29 117.34 2fde s HIS 69 Ca 0.00 0.57 -0.26 0.00 1.02 0.00 0.00 55.06 56.39 2fde s HIS 69 Cb 0.00 -2.50 -0.10 0.00 -1.02 0.00 0.00 32.58 28.97 2fde s HIS 69 CO 0.00 -0.00 0.98 0.15 1.02 0.00 0.00 174.74 176.89 2fde s LYS 70 N 1.28 4.52 0.04 1.40 1.02 -1.26 -0.98 119.74 125.76 2fde s LYS 70 Ca 0.18 1.43 -0.20 0.00 0.02 0.00 0.00 55.97 57.39 2fde s LYS 70 Cb -0.15 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2fde s LYS 70 CO 0.08 0.20 0.47 0.00 -0.92 0.00 0.00 175.35 175.17 2fde s ALA 71 N -1.54 -1.17 -0.07 5.17 0.00 0.41 -4.92 121.76 119.64 2fde s ALA 71 Ca 0.50 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 2fde s ALA 71 Cb -0.21 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2fde s ALA 71 CO 0.27 -0.46 -0.02 -1.50 0.00 0.00 0.00 175.76 174.05 2fde s ILE 72 N -2.31 0.48 0.00 0.00 2.07 -1.26 0.01 121.20 120.19 2fde s ILE 72 Ca -0.06 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 2fde s ILE 72 Cb -0.01 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.99 2fde s ILE 72 CO -0.01 0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.89 2fde n GLY 73 N 4.84 2.87 3.69 1.50 0.00 -1.20 -4.86 105.19 112.02 2fde n GLY 73 Ca -0.12 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 2fde n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fde s THR 74 N -2.90 5.07 -0.05 2.61 2.01 -1.26 -1.22 115.64 119.90 2fde s THR 74 Ca 0.00 1.18 0.07 0.00 0.31 0.00 0.00 61.69 63.24 2fde s THR 74 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2fde s THR 74 CO 0.00 0.20 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.20 2fde s VAL 75 N 1.31 2.12 -0.16 3.82 1.01 0.16 -4.55 120.40 124.12 2fde s VAL 75 Ca 0.30 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2fde s VAL 75 Cb -0.16 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 2fde s VAL 75 CO 0.12 0.57 -0.11 -0.76 0.00 0.00 0.00 175.10 174.92 2fde s LEU 76 N -0.33 2.73 -0.15 3.92 1.43 -0.89 -0.24 118.68 125.14 2fde s LEU 76 Ca 0.02 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2fde s LEU 76 Cb -0.12 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2fde s LEU 76 CO 0.02 0.11 -0.02 -0.69 0.23 0.00 0.00 176.35 176.00 2fde s VAL 77 N 0.70 4.08 -0.02 -1.59 1.01 0.29 -0.55 120.40 124.32 2fde s VAL 77 Ca -0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2fde s VAL 77 Cb -0.15 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2fde s VAL 77 CO 0.02 0.50 0.39 0.61 0.00 0.00 0.00 175.10 176.61 2fde n GLY 78 N 3.42 0.34 1.24 4.51 0.00 -0.78 0.55 105.19 114.46 2fde n GLY 78 Ca -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2fde n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fde n PRO 79 N -0.28 0.16 -2.46 1.61 -0.04 -1.26 -3.60 135.00 129.13 2fde n PRO 79 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 2fde n PRO 79 Cb 0.17 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 2fde n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fde s THR 80 N 1.05 4.15 0.55 0.52 -1.32 -1.26 -4.91 115.64 114.42 2fde s THR 80 Ca 0.00 1.54 0.36 0.00 -1.21 0.00 0.00 61.69 62.38 2fde s THR 80 Cb 0.00 -3.99 0.36 0.00 -1.51 0.00 0.00 72.50 67.36 2fde s THR 80 CO 0.00 0.12 2.09 1.55 -2.21 0.00 0.00 174.62 176.17 2fde h PRO 81 N 6.82 0.00 -3.87 7.08 0.13 -1.99 -3.41 132.00 136.76 2fde h PRO 81 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 2fde h PRO 81 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2fde h PRO 81 CO 0.81 0.00 -0.52 0.08 -0.23 0.00 0.00 178.00 178.13 2fde s VAL 82 N -4.03 0.15 0.08 1.56 1.01 -1.26 -5.06 120.40 112.84 2fde s VAL 82 Ca -0.04 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 2fde s VAL 82 Cb 0.10 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2fde s VAL 82 CO 0.33 -0.67 1.09 0.20 0.00 0.00 0.00 175.10 176.05 2fde s ASN 83 N -2.36 7.25 -0.06 3.32 0.01 -1.26 -4.60 114.94 117.23 2fde s ASN 83 Ca -0.02 1.91 0.02 0.00 -0.71 0.00 0.00 52.86 54.07 2fde s ASN 83 Cb 0.01 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2fde s ASN 83 CO -0.06 -0.31 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.47 2fde s ILE 84 N 0.64 1.07 -0.26 0.60 1.01 0.23 -0.51 121.20 123.98 2fde s ILE 84 Ca 0.53 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2fde s ILE 84 Cb -0.26 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2fde s ILE 84 CO 0.30 0.34 0.14 -0.63 0.00 0.00 0.00 174.94 175.09 2fde s ILE 85 N 0.62 5.00 0.36 2.92 -1.09 0.01 0.26 121.20 129.28 2fde s ILE 85 Ca -0.13 0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.42 2fde s ILE 85 Cb -0.15 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2fde s ILE 85 CO 0.03 0.31 0.48 -0.83 -1.23 0.00 0.00 174.94 173.70 2fde s GLY 86 N 1.49 1.71 0.57 6.18 0.00 -1.20 -1.95 107.32 114.11 2fde s GLY 86 Ca 0.07 -1.54 0.33 0.00 0.00 0.00 0.00 44.72 43.58 2fde s GLY 86 CO 0.07 -1.43 1.75 3.21 0.00 0.00 0.00 173.10 176.70 2fde h ARG 87 N 0.85 0.00 -0.13 2.90 3.08 0.40 0.77 114.38 122.25 2fde h ARG 87 Ca -0.44 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.64 2fde h ARG 87 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 2fde h ARG 87 CO 0.51 0.00 0.10 -2.95 -1.07 0.00 0.00 179.97 176.56 2fde h ASN 88 N 0.00 0.02 0.00 7.04 -1.07 -1.71 -2.68 115.58 117.18 2fde h ASN 88 Ca 0.46 -0.00 -0.44 0.00 0.07 0.00 0.00 56.30 56.39 2fde h ASN 88 Cb 2.09 -0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 38.26 2fde h ASN 88 CO -0.00 0.01 -2.47 0.18 0.07 0.00 0.00 177.43 175.22 2fde n LEU 89 N -4.50 2.20 -0.32 6.14 4.32 0.26 -4.43 117.00 120.66 2fde n LEU 89 Ca 0.00 0.23 0.19 0.00 -0.02 0.00 0.00 56.01 56.42 2fde n LEU 89 Cb 0.21 -0.85 0.39 0.00 -1.62 0.00 0.00 43.42 41.55 2fde n LEU 89 CO 0.35 0.65 1.01 -0.07 -1.22 0.00 0.00 177.39 178.10 2fde h LEU 90 N -0.76 0.18 -2.27 2.23 3.38 -1.20 1.58 115.31 118.45 2fde h LEU 90 Ca -0.66 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2fde h LEU 90 Cb 1.67 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 2fde h LEU 90 CO -0.33 -0.20 -0.03 0.71 0.09 0.00 0.00 178.44 178.68 2fde h THR 91 N 0.21 0.18 0.00 0.22 1.35 -1.70 -0.72 112.91 112.45 2fde h THR 91 Ca 0.66 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 2fde h THR 91 Cb 1.45 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2fde h THR 91 CO -0.68 0.03 0.00 1.56 -0.25 0.00 0.00 175.52 176.19 2fde h GLN 92 N 0.00 0.00 -0.04 4.72 4.20 0.21 -3.09 115.11 121.11 2fde h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fde h GLN 92 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2fde h GLN 92 CO 0.00 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.60 2fde n ILE 93 N -2.32 1.63 -1.32 2.54 -5.35 -0.72 -4.92 119.36 108.90 2fde n ILE 93 Ca 0.05 -1.81 -0.11 0.00 -0.27 0.00 0.00 62.75 60.61 2fde n ILE 93 Cb 0.40 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.26 2fde n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fde n GLY 94 N -0.98 1.19 3.76 3.28 0.00 -0.99 -4.98 105.19 106.47 2fde n GLY 94 Ca 0.12 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2fde n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fde s THR 96 N -0.63 0.12 0.63 0.00 -4.23 -1.26 -4.53 115.64 105.73 2fde s THR 96 Ca 0.52 -1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.83 2fde s THR 96 Cb -0.38 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.07 2fde s THR 96 CO 0.46 -0.55 0.95 -0.76 -0.54 0.00 0.00 174.62 174.18 2fde s LEU 97 N -2.87 3.12 -0.29 4.79 2.01 -1.26 -5.09 118.68 119.08 2fde s LEU 97 Ca 0.07 0.72 -0.19 0.00 0.01 0.00 0.00 54.13 54.74 2fde s LEU 97 Cb 0.04 -3.51 0.16 0.00 0.01 0.00 0.00 46.19 42.89 2fde s LEU 97 CO -0.09 -1.20 1.13 0.21 1.01 0.00 0.00 176.35 177.41 2fde s ASN 98 N -4.35 -0.32 0.00 2.29 2.47 -1.26 -5.27 114.94 108.50 2fde s ASN 98 Ca 0.56 0.54 0.00 0.00 0.42 0.00 0.00 52.86 54.38 2fde s ASN 98 Cb -0.11 0.93 0.00 0.00 -1.45 0.00 0.00 41.25 40.62 2fde s ASN 98 CO 0.46 -0.09 0.00 2.22 -3.72 0.00 0.00 177.10 175.97