#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp n SER 2 N 0.00 1.21 -4.66 1.61 7.64 -1.26 -5.02 113.62 113.14 2edp n SER 2 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2edp n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2edp n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edp s SER 3 N -4.60 6.29 -0.74 6.43 1.04 -1.26 -5.00 113.70 115.86 2edp s SER 3 Ca 0.00 0.33 -0.26 0.00 0.48 0.00 0.00 55.95 56.51 2edp s SER 3 Cb 0.00 -2.18 -0.09 0.00 0.10 0.00 0.00 66.02 63.85 2edp s SER 3 CO 0.00 -0.03 2.22 -0.83 0.98 0.00 0.00 173.24 175.57 2edp s GLY 4 N 1.12 -0.36 0.13 7.32 0.00 -1.26 -4.89 107.32 109.38 2edp s GLY 4 Ca 0.14 -0.82 -0.35 0.00 0.00 0.00 0.00 44.72 43.69 2edp s GLY 4 CO 0.07 3.92 1.20 1.44 0.00 0.00 0.00 173.10 179.73 2edp n SER 5 N 16.18 1.28 -3.53 1.64 7.64 -1.26 -4.96 113.62 130.60 2edp n SER 5 Ca 0.40 1.13 -0.16 0.00 1.01 0.00 0.00 58.87 61.25 2edp n SER 5 Cb 0.47 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 62.44 2edp n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edp s SER 6 N 0.15 -0.59 -0.28 6.43 1.04 -1.26 -5.17 113.70 114.01 2edp s SER 6 Ca 0.79 0.65 -0.16 0.00 0.48 0.00 0.00 55.95 57.71 2edp s SER 6 Cb -0.92 0.49 0.11 0.00 0.10 0.00 0.00 66.02 65.80 2edp s SER 6 CO 0.51 -0.55 0.83 -0.83 0.98 0.00 0.00 173.24 174.18 2edp s GLY 7 N -1.16 -0.32 0.00 7.32 0.00 -1.25 -4.14 107.32 107.77 2edp s GLY 7 Ca -0.09 2.79 0.00 0.00 0.00 0.00 0.00 44.72 47.42 2edp s GLY 7 CO 0.08 2.51 0.00 0.61 0.00 0.00 0.00 173.10 176.30 2edp n GLY 8 N 4.02 3.50 3.79 0.20 0.00 -1.26 -5.05 105.19 110.40 2edp n GLY 8 Ca -0.19 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 2edp n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 9 N 0.00 4.52 0.05 1.61 0.01 -1.26 -4.92 113.70 113.71 2edp s SER 9 Ca 0.00 1.45 0.08 0.00 1.31 0.00 0.00 55.95 58.80 2edp s SER 9 Cb 0.00 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 2edp s SER 9 CO 0.00 -1.97 -0.23 -0.36 0.41 0.00 0.00 173.24 171.09 2edp s PHE 10 N -3.07 2.04 -0.22 2.43 0.40 -1.26 -2.92 117.98 115.37 2edp s PHE 10 Ca 0.61 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.49 2edp s PHE 10 Cb -0.15 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 2edp s PHE 10 CO 0.55 0.13 0.01 -1.14 0.70 0.00 0.00 175.22 175.47 2edp s GLN 11 N -1.31 3.56 -0.27 0.44 0.74 -1.10 -4.96 119.66 116.77 2edp s GLN 11 Ca 0.09 -0.54 -0.18 0.00 0.05 0.00 0.00 55.36 54.79 2edp s GLN 11 Cb -0.09 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 2edp s GLN 11 CO 0.02 -0.12 0.51 0.71 -0.55 0.00 0.00 175.29 175.86 2edp s TYR 12 N 1.34 3.26 -0.63 1.67 2.02 -1.26 -1.82 117.35 121.93 2edp s TYR 12 Ca 0.04 0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 57.26 2edp s TYR 12 Cb -0.15 -2.73 0.16 0.00 -0.40 0.00 0.00 41.96 38.84 2edp s TYR 12 CO 0.01 -0.30 0.48 0.08 -1.57 0.00 0.00 175.55 174.24 2edp s VAL 13 N 2.31 4.16 -0.90 0.71 1.01 0.59 -4.93 120.40 123.35 2edp s VAL 13 Ca 0.21 -2.60 -0.25 0.00 0.00 0.00 0.00 61.98 59.34 2edp s VAL 13 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2edp s VAL 13 CO 0.10 -0.88 1.95 -2.16 0.00 0.00 0.00 175.10 174.10 2edp s PRO 14 N 0.31 2.55 -0.91 2.72 0.04 -1.25 -2.54 135.00 135.92 2edp s PRO 14 Ca 0.15 -0.29 -0.24 0.00 0.04 0.00 0.00 61.00 60.65 2edp s PRO 14 Cb -0.19 -5.06 -0.01 0.00 0.04 0.00 0.00 34.50 29.28 2edp s PRO 14 CO -0.04 -3.38 1.73 0.08 0.04 0.00 0.00 177.00 175.43 2edp s VAL 15 N 10.09 3.62 -0.68 -0.36 1.01 0.43 -4.82 120.40 129.68 2edp s VAL 15 Ca 0.70 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 2edp s VAL 15 Cb -0.07 -4.42 0.08 0.00 0.00 0.00 0.00 36.38 31.97 2edp s VAL 15 CO -0.01 -1.35 0.97 -1.58 0.00 0.00 0.00 175.10 173.14 2edp s GLN 16 N 6.23 3.15 0.94 2.72 0.74 -1.26 -2.42 119.66 129.75 2edp s GLN 16 Ca 0.59 -0.92 -0.12 0.00 0.05 0.00 0.00 55.36 54.96 2edp s GLN 16 Cb -0.05 -4.29 0.16 0.00 1.10 0.00 0.00 33.01 29.93 2edp s GLN 16 CO -0.01 -1.81 1.11 -0.51 -0.55 0.00 0.00 175.29 173.52 2edp s LEU 17 N 3.93 1.89 -0.26 3.68 1.43 0.28 -4.89 118.68 124.75 2edp s LEU 17 Ca 0.23 1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 54.32 2edp s LEU 17 Cb -0.16 -3.45 0.07 0.00 0.03 0.00 0.00 46.19 42.68 2edp s LEU 17 CO 0.08 -2.79 0.65 -1.10 0.23 0.00 0.00 176.35 173.42 2edp s GLN 18 N -5.08 0.69 0.00 1.70 -0.21 -1.26 -3.09 119.66 112.42 2edp s GLN 18 Ca 0.64 1.10 0.00 0.00 0.02 0.00 0.00 55.36 57.13 2edp s GLN 18 Cb -0.17 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.02 2edp s GLN 18 CO 0.56 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 2edp n GLY 19 N 3.91 2.33 0.00 3.09 0.00 0.36 -4.98 105.19 109.90 2edp n GLY 19 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2edp n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 20 N 0.00 2.56 3.62 -0.02 0.00 0.27 -4.78 105.19 106.84 2edp n GLY 20 Ca 0.00 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 2edp n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edp s ALA 21 N -2.91 0.69 0.49 4.61 0.00 -1.26 -4.59 121.76 118.79 2edp s ALA 21 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 2edp s ALA 21 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2edp s ALA 21 CO 0.00 -3.04 1.15 -1.25 0.00 0.00 0.00 175.76 172.62 2edp s PRO 22 N -4.74 3.62 -0.22 0.00 0.04 -1.26 -5.11 135.00 127.33 2edp s PRO 22 Ca 0.66 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 2edp s PRO 22 Cb -0.21 -2.26 -0.18 0.00 0.04 0.00 0.00 34.50 31.88 2edp s PRO 22 CO 0.60 -0.66 0.02 0.91 0.04 0.00 0.00 177.00 177.91 2edp n TRP 23 N -0.78 0.64 -0.33 0.56 7.02 -1.26 -4.08 117.44 119.20 2edp n TRP 23 Ca 0.09 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.78 2edp n TRP 23 Cb 0.49 -1.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.31 2edp n TRP 23 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2edp n GLY 24 N 1.65 0.51 3.30 6.99 0.00 -1.26 0.17 105.19 116.53 2edp n GLY 24 Ca -0.40 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2edp n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2edp s PHE 25 N -1.36 -0.37 0.32 1.61 -0.12 -1.26 -0.54 117.98 116.26 2edp s PHE 25 Ca 0.00 0.80 0.05 0.00 -0.05 0.00 0.00 56.93 57.74 2edp s PHE 25 Cb 0.00 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2edp s PHE 25 CO 0.00 -0.31 0.19 0.25 -0.05 0.00 0.00 175.22 175.30 2edp n THR 26 N 2.15 0.00 -4.14 -4.49 -2.24 0.15 -4.97 114.28 100.74 2edp n THR 26 Ca -0.17 -2.10 -0.11 0.00 -2.27 0.00 0.00 64.05 59.41 2edp n THR 26 Cb 0.57 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.62 2edp n THR 26 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2edp s LEU 27 N 0.00 1.24 0.27 3.22 1.43 -1.26 -1.86 118.68 121.73 2edp s LEU 27 Ca 0.27 -1.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.05 2edp s LEU 27 Cb 0.01 0.58 -0.00 0.00 0.03 0.00 0.00 46.19 46.81 2edp s LEU 27 CO 0.19 -0.84 0.46 -1.59 0.23 0.00 0.00 176.35 174.80 2edp s LYS 28 N -4.09 1.64 5.50 1.70 -2.85 -0.94 -4.56 119.74 116.15 2edp s LYS 28 Ca 0.30 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 2edp s LYS 28 Cb 0.06 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2edp s LYS 28 CO 0.07 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.25 2edp n GLY 29 N -0.43 1.12 0.00 0.59 0.00 -1.26 -3.27 105.19 101.94 2edp n GLY 29 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2edp n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 30 N 0.00 2.41 0.53 -0.02 0.00 0.86 -4.56 105.19 104.42 2edp n GLY 30 Ca 0.00 -1.94 0.37 0.00 0.00 0.00 0.00 46.02 44.45 2edp n GLY 30 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2edp h LEU 31 N 0.00 0.14 -0.43 0.99 8.10 -1.66 0.18 115.31 122.62 2edp h LEU 31 Ca 0.00 0.05 0.09 0.00 0.11 0.00 0.00 57.88 58.13 2edp h LEU 31 Cb 0.00 0.03 -0.09 0.00 -0.44 0.00 0.00 40.66 40.16 2edp h LEU 31 CO 0.00 -0.03 -0.16 -0.33 -4.11 0.00 0.00 178.44 173.81 2edp h GLU 32 N 0.09 -0.06 -0.46 0.17 4.39 -1.86 -1.28 114.58 115.58 2edp h GLU 32 Ca 0.71 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.41 2edp h GLU 32 Cb 2.53 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.19 2edp h GLU 32 CO -0.16 -0.04 0.00 0.72 -1.16 0.00 0.00 179.01 178.37 2edp n HIS 33 N -5.36 1.36 -2.46 4.33 8.25 0.44 -4.93 115.22 116.86 2edp n HIS 33 Ca 0.03 -0.73 -0.18 0.00 -0.26 0.00 0.00 57.72 56.58 2edp n HIS 33 Cb 0.27 -0.33 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 2edp n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2edp s GLU 35 N -5.08 2.87 -0.73 0.00 2.02 -0.62 -4.92 118.70 112.23 2edp s GLU 35 Ca 0.02 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 54.18 2edp s GLU 35 Cb -0.01 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 2edp s GLU 35 CO 0.02 0.63 1.90 -1.25 0.02 0.00 0.00 175.26 176.58 2edp s PRO 36 N -1.60 2.59 -0.79 0.39 0.04 -1.26 -0.10 135.00 134.28 2edp s PRO 36 Ca 0.20 0.23 -0.34 0.00 0.04 0.00 0.00 61.00 61.14 2edp s PRO 36 Cb -0.12 -4.67 -0.20 0.00 0.04 0.00 0.00 34.50 29.55 2edp s PRO 36 CO 0.11 -3.01 2.39 -0.11 0.04 0.00 0.00 177.00 176.42 2edp n LEU 37 N 13.28 0.43 -4.06 -3.56 7.94 -1.26 -4.73 117.00 125.03 2edp n LEU 37 Ca 0.29 0.34 -0.09 0.00 -1.11 0.00 0.00 56.01 55.43 2edp n LEU 37 Cb 0.50 -0.87 -0.11 0.00 0.53 0.00 0.00 43.42 43.48 2edp n LEU 37 CO 0.66 -0.70 -0.37 0.42 -1.11 0.00 0.00 177.39 176.29 2edp s THR 38 N 7.58 0.29 0.06 1.96 -4.23 -1.20 -2.05 115.64 118.05 2edp s THR 38 Ca 1.24 -1.44 -0.38 0.00 -1.18 0.00 0.00 61.69 59.94 2edp s THR 38 Cb -1.28 -1.01 -0.17 0.00 1.34 0.00 0.00 72.50 71.38 2edp s THR 38 CO 0.52 -0.74 1.29 0.52 -0.54 0.00 0.00 174.62 175.68 2edp n VAL 39 N 0.76 0.01 -0.12 2.29 0.31 0.36 -2.20 118.33 119.73 2edp n VAL 39 Ca -0.18 -0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 2edp n VAL 39 Cb 0.58 -0.65 -0.10 0.00 -0.91 0.00 0.00 33.84 32.76 2edp n VAL 39 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2edp n SER 40 N 2.36 2.04 -3.79 4.52 3.41 -0.78 -3.00 113.62 118.39 2edp n SER 40 Ca 0.19 0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.70 2edp n SER 40 Cb 0.16 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 2edp n SER 40 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2edp s LYS 41 N -2.46 0.39 -0.24 4.33 2.47 -1.26 -4.92 119.74 118.05 2edp s LYS 41 Ca -0.32 0.17 -0.03 0.00 -1.56 0.00 0.00 55.97 54.23 2edp s LYS 41 Cb 0.10 0.18 0.08 0.00 -1.46 0.00 0.00 37.83 36.73 2edp s LYS 41 CO 0.50 -0.07 0.08 0.42 0.16 0.00 0.00 175.35 176.44 2edp s ILE 42 N -0.31 0.34 -0.29 5.43 1.01 -1.26 0.31 121.20 126.42 2edp s ILE 42 Ca -0.04 -0.73 -0.38 0.00 0.00 0.00 0.00 60.65 59.49 2edp s ILE 42 Cb -0.03 -1.08 -0.14 0.00 0.01 0.00 0.00 42.46 41.22 2edp s ILE 42 CO 0.01 -0.47 1.92 -0.62 0.00 0.00 0.00 174.94 175.79 2edp n GLU 43 N 5.10 1.20 -2.06 2.79 1.02 0.30 -4.82 120.64 124.16 2edp n GLU 43 Ca -0.06 0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 57.13 2edp n GLU 43 Cb 0.45 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 2edp n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2edp s ASP 44 N 4.92 5.27 0.00 1.62 1.01 -1.26 -2.40 116.67 125.83 2edp s ASP 44 Ca 1.02 0.08 0.00 0.00 0.71 0.00 0.00 52.55 54.36 2edp s ASP 44 Cb -0.98 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.41 2edp s ASP 44 CO 0.59 -2.44 0.00 0.61 0.21 0.00 0.00 175.17 174.14 2edp n GLY 45 N 5.96 1.28 0.00 0.21 0.00 -1.26 -5.09 105.19 106.29 2edp n GLY 45 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2edp n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 46 N 0.00 -2.57 0.10 -0.02 0.00 -1.01 -4.66 105.19 97.03 2edp n GLY 46 Ca 0.00 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 2edp n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edp h LYS 47 N 0.00 0.17 -0.38 1.61 1.79 0.15 -2.71 116.57 117.20 2edp h LYS 47 Ca 0.00 -0.25 0.08 0.00 -2.18 0.00 0.00 60.65 58.30 2edp h LYS 47 Cb 0.00 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.65 2edp h LYS 47 CO 0.00 1.07 -0.21 0.00 -1.08 0.00 0.00 179.45 179.23 2edp h ALA 48 N 0.12 0.06 0.16 3.86 0.00 -1.04 -0.68 119.26 121.73 2edp h ALA 48 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2edp h ALA 48 Cb 1.24 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2edp h ALA 48 CO 0.07 -0.58 -0.07 0.00 0.00 0.00 0.00 179.25 178.67 2edp h ALA 49 N 1.10 -0.21 -1.10 0.00 0.00 -1.77 -2.84 119.26 114.45 2edp h ALA 49 Ca 0.19 -0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.27 2edp h ALA 49 Cb 0.43 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 2edp h ALA 49 CO -0.47 -0.52 0.71 -0.07 0.00 0.00 0.00 179.25 178.90 2edp h LEU 50 N -0.41 0.39 -1.11 0.00 3.38 -1.10 0.56 115.31 117.01 2edp h LEU 50 Ca -0.02 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2edp h LEU 50 Cb 0.32 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2edp h LEU 50 CO 0.04 0.03 0.25 -1.28 0.09 0.00 0.00 178.44 177.56 2edp h SER 51 N 0.32 0.79 -2.87 -0.43 0.87 -0.88 -3.46 113.55 107.89 2edp h SER 51 Ca 0.64 -0.10 -0.40 0.00 -1.23 0.00 0.00 61.79 60.69 2edp h SER 51 Cb 1.74 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.46 2edp h SER 51 CO -0.31 0.71 -0.50 0.00 -0.53 0.00 0.00 176.83 176.20 2edp n GLN 52 N -4.33 -1.70 -0.08 2.24 6.02 0.20 -4.85 117.38 114.88 2edp n GLN 52 Ca 0.05 1.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.97 2edp n GLN 52 Cb 0.16 -5.63 -0.14 0.00 1.02 0.00 0.00 30.24 25.65 2edp n GLN 52 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2edp n LYS 53 N -2.93 1.01 -4.64 -1.09 4.76 -1.26 -5.02 118.16 108.98 2edp n LYS 53 Ca -0.24 -0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 54.88 2edp n LYS 53 Cb 0.68 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 2edp n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edp s MET 54 N -2.54 2.05 -0.27 1.97 0.23 -1.26 -4.98 119.30 114.50 2edp s MET 54 Ca -0.09 -2.28 -0.27 0.00 -1.03 0.00 0.00 55.69 52.03 2edp s MET 54 Cb 0.06 -1.13 0.17 0.00 -1.53 0.00 0.00 34.83 32.41 2edp s MET 54 CO 0.74 -0.39 1.29 0.50 -2.03 0.00 0.00 175.02 175.13 2edp s ARG 55 N -3.80 0.21 -0.47 3.16 6.06 -1.26 -4.93 118.95 117.92 2edp s ARG 55 Ca 0.16 0.15 -0.26 0.00 -2.50 0.00 0.00 55.73 53.28 2edp s ARG 55 Cb 0.03 0.10 -0.14 0.00 0.06 0.00 0.00 34.95 35.00 2edp s ARG 55 CO 0.09 -0.05 1.59 0.25 -2.50 0.00 0.00 175.30 174.68 2edp n THR 56 N 1.26 0.00 0.00 4.11 -2.24 -1.26 -1.83 114.28 114.32 2edp n THR 56 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2edp n THR 56 Cb 0.57 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2edp n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2edp n GLY 57 N 4.76 0.91 3.78 3.38 0.00 -1.16 -4.99 105.19 111.86 2edp n GLY 57 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 2edp n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2edp s ASP 58 N -0.23 7.15 -0.44 1.61 1.01 -0.76 -4.77 116.67 120.23 2edp s ASP 58 Ca 0.00 1.97 -0.18 0.00 0.71 0.00 0.00 52.55 55.05 2edp s ASP 58 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 2edp s ASP 58 CO 0.00 -0.21 0.51 -0.70 0.21 0.00 0.00 175.17 174.98 2edp s GLU 59 N -2.08 3.13 -0.33 8.23 2.12 -1.24 -0.48 118.70 128.04 2edp s GLU 59 Ca 0.52 -0.75 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 2edp s GLU 59 Cb -0.22 -4.00 -0.00 0.00 0.26 0.00 0.00 34.13 30.17 2edp s GLU 59 CO 0.28 -0.96 0.62 -1.17 -0.54 0.00 0.00 175.26 173.48 2edp s LEU 60 N 2.32 4.21 -0.00 2.70 0.20 -0.87 -1.92 118.68 125.33 2edp s LEU 60 Ca 0.14 0.25 0.02 0.00 0.69 0.00 0.00 54.13 55.23 2edp s LEU 60 Cb -0.17 -2.77 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 2edp s LEU 60 CO 0.14 -0.53 0.07 1.33 -0.29 0.00 0.00 176.35 177.07 2edp n VAL 61 N 5.48 0.00 -4.15 1.68 0.24 -1.24 -4.81 118.33 115.53 2edp n VAL 61 Ca -0.02 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 2edp n VAL 61 Cb 0.49 0.60 -0.17 0.00 -1.47 0.00 0.00 33.84 33.29 2edp n VAL 61 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2edp s ASN 62 N -1.98 2.47 -0.10 -1.34 3.84 -1.25 -1.16 114.94 115.41 2edp s ASN 62 Ca -0.00 -0.42 0.01 0.00 0.21 0.00 0.00 52.86 52.66 2edp s ASN 62 Cb 0.02 -1.07 0.02 0.00 -0.55 0.00 0.00 41.25 39.67 2edp s ASN 62 CO 0.10 -0.04 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.60 2edp s ILE 63 N 1.35 1.38 -1.61 -5.21 1.01 -0.79 -2.26 121.20 115.07 2edp s ILE 63 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2edp s ILE 63 Cb -0.13 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.06 2edp s ILE 63 CO -0.07 0.42 0.00 0.59 0.00 0.00 0.00 174.94 175.88 2edp n ASN 64 N 4.24 -5.25 -0.00 3.58 5.03 0.32 -0.27 115.26 122.92 2edp n ASN 64 Ca -0.19 0.10 -0.00 0.00 0.87 0.00 0.00 54.58 55.36 2edp n ASN 64 Cb 0.51 -4.42 -0.00 0.00 -1.02 0.00 0.00 39.78 34.85 2edp n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2edp n GLY 65 N -0.88 0.49 3.32 7.41 0.00 -1.22 -4.91 105.19 109.40 2edp n GLY 65 Ca -0.21 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 2edp n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2edp s THR 66 N -1.99 3.80 -0.49 2.61 2.01 0.63 -5.06 115.64 117.16 2edp s THR 66 Ca 0.00 -0.73 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 2edp s THR 66 Cb 0.00 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2edp s THR 66 CO 0.00 0.11 1.79 -2.16 -0.69 0.00 0.00 174.62 173.66 2edp s PRO 67 N 1.48 2.99 1.15 4.92 0.04 -1.26 -1.88 135.00 142.43 2edp s PRO 67 Ca 0.02 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 2edp s PRO 67 Cb -0.17 -4.28 0.27 0.00 0.04 0.00 0.00 34.50 30.36 2edp s PRO 67 CO 0.01 -2.28 1.04 -0.51 0.04 0.00 0.00 177.00 175.30 2edp s LEU 68 N 7.87 0.80 -0.20 -3.56 1.43 -0.31 -4.98 118.68 119.73 2edp s LEU 68 Ca 0.71 1.29 0.12 0.00 -1.03 0.00 0.00 54.13 55.21 2edp s LEU 68 Cb -0.16 -3.20 0.42 0.00 0.03 0.00 0.00 46.19 43.27 2edp s LEU 68 CO 0.27 -4.04 1.22 -1.22 0.23 0.00 0.00 176.35 172.80 2edp n TYR 69 N -4.79 0.00 0.00 0.29 4.02 -1.26 -4.97 117.16 110.45 2edp n TYR 69 Ca 0.04 -1.46 0.00 0.00 -0.01 0.00 0.00 57.90 56.47 2edp n TYR 69 Cb 0.56 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2edp n GLY 70 N -1.09 2.60 3.26 2.72 0.00 -1.26 -4.89 105.19 106.53 2edp n GLY 70 Ca 0.19 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 2edp n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edp n SER 71 N 1.68 -3.39 -0.07 1.61 3.41 -1.26 -3.02 113.62 112.58 2edp n SER 71 Ca 0.00 0.46 -0.06 0.00 -0.26 0.00 0.00 58.87 59.01 2edp n SER 71 Cb 0.00 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 62.95 2edp n SER 71 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2edp n ARG 72 N 0.73 0.45 -0.09 4.33 0.63 -1.26 -4.37 116.66 117.09 2edp n ARG 72 Ca 0.06 0.35 -0.02 0.00 -0.92 0.00 0.00 57.85 57.31 2edp n ARG 72 Cb 0.51 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 2edp n ARG 72 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2edp n GLN 73 N -4.36 -0.09 -0.28 -0.14 3.00 -1.26 0.98 117.38 115.23 2edp n GLN 73 Ca -0.10 0.82 0.11 0.00 -0.01 0.00 0.00 57.00 57.82 2edp n GLN 73 Cb 0.36 -1.23 0.21 0.00 0.00 0.00 0.00 30.24 29.59 2edp n GLN 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2edp n GLU 74 N -3.36 -0.07 0.00 -1.09 2.13 -1.26 0.01 120.64 117.01 2edp n GLU 74 Ca 0.00 1.23 0.00 0.00 0.66 0.00 0.00 57.16 59.06 2edp n GLU 74 Cb 0.05 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2edp n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2edp n ALA 75 N -3.35 -0.22 -0.43 4.31 0.00 0.28 -0.01 120.51 121.09 2edp n ALA 75 Ca 0.18 0.00 0.41 0.00 0.00 0.00 0.00 53.44 54.02 2edp n ALA 75 Cb 0.58 0.04 0.77 0.00 0.00 0.00 0.00 19.45 20.84 2edp n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2edp h LEU 76 N 0.00 0.00 -0.21 0.00 3.38 -0.91 0.94 115.31 118.52 2edp h LEU 76 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2edp h LEU 76 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2edp h LEU 76 CO 0.00 0.00 -0.83 0.40 0.09 0.00 0.00 178.44 178.10 2edp h ILE 77 N 0.00 1.32 -0.70 1.22 2.04 -0.12 -3.24 117.51 118.03 2edp h ILE 77 Ca 0.67 -2.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 2edp h ILE 77 Cb 2.74 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 40.93 2edp h ILE 77 CO -0.01 0.66 0.37 0.25 0.00 0.00 0.00 178.15 179.42 2edp h LEU 78 N 0.40 0.90 -0.63 1.44 5.85 0.47 -2.77 115.31 120.97 2edp h LEU 78 Ca -0.06 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.63 2edp h LEU 78 Cb 1.45 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2edp h LEU 78 CO 0.16 0.75 0.28 0.40 -0.34 0.00 0.00 178.44 179.68 2edp h ILE 79 N 0.97 0.83 -1.29 4.05 2.04 -1.47 -0.40 117.51 122.23 2edp h ILE 79 Ca 0.25 -0.17 0.37 0.00 1.00 0.00 0.00 64.86 66.31 2edp h ILE 79 Cb 0.07 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 2edp h ILE 79 CO -0.04 0.09 0.92 0.11 0.00 0.00 0.00 178.15 179.23 2edp h LYS 80 N 0.49 0.04 0.00 2.37 1.57 -1.52 0.94 116.57 120.47 2edp h LYS 80 Ca 0.31 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 2edp h LYS 80 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2edp h LYS 80 CO -0.27 0.03 -0.65 0.78 -0.57 0.00 0.00 179.45 178.77 2edp h GLY 81 N 0.05 0.00 -3.13 3.86 0.00 -1.15 -3.46 103.07 99.23 2edp h GLY 81 Ca 0.63 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.53 2edp h GLY 81 CO -0.06 0.00 -0.50 -1.14 0.00 0.00 0.00 176.54 174.84 2edp n SER 82 N -3.64 -1.41 0.00 0.19 3.41 0.33 -4.94 113.62 107.55 2edp n SER 82 Ca -0.01 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2edp n SER 82 Cb 0.67 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2edp n SER 82 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2edp n PHE 83 N -0.36 0.00 0.00 7.33 3.72 -1.26 -4.90 117.46 121.99 2edp n PHE 83 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2edp n PHE 83 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2edp n PHE 83 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2edp n ARG 84 N -1.97 0.52 -4.76 -1.08 1.85 -1.26 -4.33 116.66 105.63 2edp n ARG 84 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 2edp n ARG 84 Cb 0.00 -0.67 -0.16 0.00 -1.05 0.00 0.00 32.46 30.58 2edp n ARG 84 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2edp s ILE 85 N -1.34 2.52 0.02 8.89 1.01 -1.26 0.94 121.20 131.98 2edp s ILE 85 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2edp s ILE 85 Cb 0.00 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2edp s ILE 85 CO 0.00 0.53 -0.09 -0.22 0.00 0.00 0.00 174.94 175.16 2edp s LEU 86 N 0.61 3.07 -0.12 2.97 2.96 -1.18 -4.94 118.68 122.05 2edp s LEU 86 Ca -0.10 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2edp s LEU 86 Cb -0.16 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.78 2edp s LEU 86 CO 0.03 0.27 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.71 2edp s LYS 87 N -1.52 1.55 -0.01 1.98 1.02 -1.26 0.10 119.74 121.61 2edp s LYS 87 Ca 0.17 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.89 2edp s LYS 87 Cb -0.11 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 2edp s LYS 87 CO 0.08 -0.28 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.69 2edp s LEU 88 N 1.69 1.79 -0.41 3.17 1.43 -1.02 0.12 118.68 125.46 2edp s LEU 88 Ca 0.05 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2edp s LEU 88 Cb -0.13 -0.23 0.11 0.00 0.03 0.00 0.00 46.19 45.97 2edp s LEU 88 CO -0.08 0.01 0.19 -0.63 0.23 0.00 0.00 176.35 176.07 2edp s ILE 89 N 0.21 3.19 -0.10 -0.59 1.09 -0.96 0.16 121.20 124.20 2edp s ILE 89 Ca -0.02 -2.11 -0.14 0.00 -1.10 0.00 0.00 60.65 57.28 2edp s ILE 89 Cb -0.05 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.10 2edp s ILE 89 CO -0.00 -0.69 0.34 0.68 -0.10 0.00 0.00 174.94 175.17 2edp s VAL 90 N 1.09 5.22 -0.20 2.92 -7.23 -1.05 -3.71 120.40 117.44 2edp s VAL 90 Ca 0.09 0.67 -0.08 0.00 -1.81 0.00 0.00 61.98 60.85 2edp s VAL 90 Cb -0.22 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.01 2edp s VAL 90 CO -0.05 0.47 0.08 0.00 -0.31 0.00 0.00 175.10 175.29 2edp s ARG 91 N -0.18 3.96 -0.15 4.82 1.70 -0.81 -0.30 118.95 128.00 2edp s ARG 91 Ca 0.20 -0.34 0.02 0.00 -0.47 0.00 0.00 55.73 55.13 2edp s ARG 91 Cb -0.14 -3.28 0.02 0.00 -0.57 0.00 0.00 34.95 30.97 2edp s ARG 91 CO 0.08 0.19 -0.19 -0.98 -1.08 0.00 0.00 175.30 173.32 2edp s ARG 92 N 0.61 2.75 0.06 3.89 1.70 -0.76 -3.63 118.95 123.57 2edp s ARG 92 Ca 0.04 -0.75 -0.33 0.00 -0.47 0.00 0.00 55.73 54.22 2edp s ARG 92 Cb -0.13 -2.31 -0.12 0.00 -0.57 0.00 0.00 34.95 31.82 2edp s ARG 92 CO 0.01 -0.11 1.76 0.54 -1.08 0.00 0.00 175.30 176.43 2edp n ARG 93 N 4.34 2.33 -2.79 3.89 1.74 -1.26 -2.70 116.66 122.21 2edp n ARG 93 Ca -0.20 0.85 -0.44 0.00 -0.77 0.00 0.00 57.85 57.30 2edp n ARG 93 Cb 0.51 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 2edp n ARG 93 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2edp n ASN 94 N 5.23 5.31 -3.67 0.55 4.13 -1.15 -4.92 115.26 120.73 2edp n ASN 94 Ca 0.19 -3.06 -0.09 0.00 1.68 0.00 0.00 54.58 53.30 2edp n ASN 94 Cb 0.31 -1.50 -0.02 0.00 -1.54 0.00 0.00 39.78 37.04 2edp n ASN 94 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2edp s SER 95 N 1.66 -0.39 0.00 6.41 1.04 -1.26 -3.77 113.70 117.40 2edp s SER 95 Ca 0.40 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2edp s SER 95 Cb 0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2edp s SER 95 CO 0.00 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.65 2edp n GLY 96 N -0.42 0.14 3.56 7.32 0.00 -1.26 -4.91 105.19 109.61 2edp n GLY 96 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2edp n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edp s PRO 97 N 0.45 2.56 -0.50 1.61 0.04 -1.26 -4.92 135.00 132.98 2edp s PRO 97 Ca 0.00 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 60.72 2edp s PRO 97 Cb 0.00 -5.00 0.12 0.00 0.04 0.00 0.00 34.50 29.66 2edp s PRO 97 CO 0.00 -3.32 0.40 -1.12 0.04 0.00 0.00 177.00 173.00 2edp s SER 98 N 8.04 5.88 0.20 6.66 0.01 -1.26 -4.95 113.70 128.28 2edp s SER 98 Ca 0.70 -1.87 -0.12 0.00 1.31 0.00 0.00 55.95 55.97 2edp s SER 98 Cb -0.07 -2.08 0.24 0.00 0.21 0.00 0.00 66.02 64.31 2edp s SER 98 CO 0.01 -0.75 1.69 -1.28 0.41 0.00 0.00 173.24 173.32 2edp h SER 99 N 8.61 -0.15 -0.01 2.44 0.87 -2.05 -3.55 113.55 119.71 2edp h SER 99 Ca -0.24 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2edp h SER 99 Cb 1.08 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2edp h SER 99 CO 0.93 -0.05 0.00 0.61 -0.53 0.00 0.00 176.83 177.79