#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp s SER 2 N 0.00 3.74 -1.76 1.61 0.01 -1.26 -4.68 113.70 111.37 2edp s SER 2 Ca 0.00 -0.37 -0.19 0.00 1.31 0.00 0.00 55.95 56.70 2edp s SER 2 Cb 0.00 -1.40 0.19 0.00 0.21 0.00 0.00 66.02 65.01 2edp s SER 2 CO 0.00 0.19 0.47 -1.54 0.41 0.00 0.00 173.24 172.78 2edp n SER 3 N 3.32 -1.27 0.00 2.44 3.41 -1.26 -4.81 113.62 115.45 2edp n SER 3 Ca -0.18 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 2edp n SER 3 Cb 0.53 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2edp n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2edp n GLY 4 N -1.31 0.09 3.67 5.00 0.00 -1.26 -4.99 105.19 106.39 2edp n GLY 4 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2edp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 5 N 0.03 6.58 -0.21 1.61 0.01 -1.26 -4.90 113.70 115.56 2edp s SER 5 Ca 0.00 2.46 -0.21 0.00 1.31 0.00 0.00 55.95 59.51 2edp s SER 5 Cb 0.00 -2.54 -0.19 0.00 0.21 0.00 0.00 66.02 63.50 2edp s SER 5 CO 0.00 -0.95 0.19 -1.54 0.41 0.00 0.00 173.24 171.35 2edp n SER 6 N 6.66 1.87 -3.85 2.44 3.41 -1.26 -4.96 113.62 117.92 2edp n SER 6 Ca 0.17 0.41 -0.35 0.00 -0.26 0.00 0.00 58.87 58.85 2edp n SER 6 Cb 0.41 -0.96 0.01 0.00 -0.26 0.00 0.00 64.21 63.41 2edp n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2edp n GLY 7 N 1.44 -2.97 0.00 5.00 0.00 -1.26 -4.88 105.19 102.52 2edp n GLY 7 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2edp n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 8 N 2.30 0.00 3.24 -0.02 0.00 -1.26 -5.17 105.19 104.29 2edp n GLY 8 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 2.11 0.05 1.61 0.01 -1.26 -5.13 113.70 111.09 2edp s SER 9 Ca 0.00 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.54 2edp s SER 9 Cb 0.00 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 2edp s SER 9 CO 0.00 -0.07 -0.06 -0.36 0.41 0.00 0.00 173.24 173.16 2edp s PHE 10 N -1.67 0.60 -0.01 2.43 0.40 -1.26 -2.80 117.98 115.67 2edp s PHE 10 Ca 0.06 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 55.86 2edp s PHE 10 Cb -0.08 -0.37 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 2edp s PHE 10 CO 0.03 -0.14 -0.22 -1.14 0.70 0.00 0.00 175.22 174.46 2edp s GLN 11 N -2.02 2.18 -0.08 0.44 0.74 0.41 -4.75 119.66 116.58 2edp s GLN 11 Ca -0.07 -0.89 0.01 0.00 0.05 0.00 0.00 55.36 54.46 2edp s GLN 11 Cb -0.07 -2.15 -0.02 0.00 1.10 0.00 0.00 33.01 31.87 2edp s GLN 11 CO -0.01 0.57 -0.11 0.71 -0.55 0.00 0.00 175.29 175.89 2edp s TYR 12 N -0.71 2.82 -0.27 1.67 1.51 -1.26 -0.24 117.35 120.86 2edp s TYR 12 Ca 0.11 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 2edp s TYR 12 Cb -0.10 -1.73 0.08 0.00 -0.11 0.00 0.00 41.96 40.09 2edp s TYR 12 CO 0.01 0.10 0.00 0.14 -1.11 0.00 0.00 175.55 174.69 2edp s VAL 13 N -0.38 1.55 -1.01 0.71 -7.23 -0.91 -4.97 120.40 108.15 2edp s VAL 13 Ca 0.05 -1.50 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 2edp s VAL 13 Cb -0.12 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.80 2edp s VAL 13 CO 0.02 -0.33 1.94 -2.16 -0.31 0.00 0.00 175.10 174.26 2edp s PRO 14 N 1.34 2.53 -0.66 4.82 0.04 -1.25 -3.67 135.00 138.14 2edp s PRO 14 Ca 0.01 -0.62 -0.26 0.00 0.04 0.00 0.00 61.00 60.17 2edp s PRO 14 Cb -0.19 -5.13 -0.06 0.00 0.04 0.00 0.00 34.50 29.17 2edp s PRO 14 CO -0.11 -3.61 2.12 0.08 0.04 0.00 0.00 177.00 175.52 2edp s VAL 15 N 10.45 3.22 -0.48 -0.36 1.01 0.21 -4.79 120.40 129.67 2edp s VAL 15 Ca 0.69 -0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 2edp s VAL 15 Cb -0.04 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2edp s VAL 15 CO 0.05 -0.53 0.75 -1.58 0.00 0.00 0.00 175.10 173.79 2edp s GLN 16 N 7.67 3.31 0.51 2.72 0.74 -1.26 -2.26 119.66 131.10 2edp s GLN 16 Ca 0.80 -0.33 -0.05 0.00 0.05 0.00 0.00 55.36 55.83 2edp s GLN 16 Cb -0.13 -3.99 -0.02 0.00 1.10 0.00 0.00 33.01 29.97 2edp s GLN 16 CO 0.16 -1.18 0.81 -0.51 -0.55 0.00 0.00 175.29 174.02 2edp s LEU 17 N 3.19 3.50 -0.09 3.68 1.43 0.13 -4.90 118.68 125.62 2edp s LEU 17 Ca 0.26 0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2edp s LEU 17 Cb -0.14 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.42 2edp s LEU 17 CO 0.19 -0.75 0.23 -1.10 0.23 0.00 0.00 176.35 175.15 2edp s GLN 18 N -4.80 0.25 0.00 1.70 -0.21 -1.26 -2.52 119.66 112.83 2edp s GLN 18 Ca 0.49 0.34 0.00 0.00 0.02 0.00 0.00 55.36 56.22 2edp s GLN 18 Cb -0.10 0.09 0.00 0.00 1.00 0.00 0.00 33.01 34.00 2edp s GLN 18 CO 0.44 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 2edp n GLY 19 N 3.13 3.14 0.00 3.09 0.00 0.12 -4.98 105.19 109.69 2edp n GLY 19 Ca -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 2.50 3.29 -0.02 0.00 -0.25 -4.75 105.19 105.95 2edp n GLY 20 Ca 0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 2edp n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edp n ALA 21 N 1.25 -3.55 -1.53 4.61 0.00 -1.26 -4.67 120.51 115.35 2edp n ALA 21 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 53.44 52.40 2edp n ALA 21 Cb 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 19.45 17.91 2edp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2edp s PRO 22 N -3.17 2.83 -0.23 0.00 0.04 -1.26 -5.12 135.00 128.08 2edp s PRO 22 Ca 0.52 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 2edp s PRO 22 Cb -0.19 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 2edp s PRO 22 CO 0.71 -1.23 -0.28 0.91 0.04 0.00 0.00 177.00 177.15 2edp n TRP 23 N -2.36 0.00 0.00 0.56 7.02 -1.26 -4.59 117.44 116.80 2edp n TRP 23 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 2edp n TRP 23 Cb 0.52 -0.84 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 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 1.71 3.14 3.75 6.99 0.00 -1.26 -1.02 105.19 118.50 2edp n GLY 24 Ca -0.45 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.06 2.36 0.34 1.61 -0.12 -1.26 -3.09 117.98 117.78 2edp s PHE 25 Ca 0.00 1.47 0.08 0.00 -0.05 0.00 0.00 56.93 58.42 2edp s PHE 25 Cb 0.00 -3.61 -0.03 0.00 -0.63 0.00 0.00 43.02 38.75 2edp s PHE 25 CO 0.00 -2.47 0.28 0.95 -0.05 0.00 0.00 175.22 173.93 2edp s THR 26 N -1.45 0.03 0.15 -4.49 -4.23 0.16 -4.95 115.64 100.86 2edp s THR 26 Ca 0.75 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2edp s THR 26 Cb -0.35 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 2edp s THR 26 CO 0.39 0.00 0.06 -0.76 -0.54 0.00 0.00 174.62 173.77 2edp s LEU 27 N -3.40 1.73 0.25 4.79 1.43 -1.26 -1.62 118.68 120.60 2edp s LEU 27 Ca 0.40 -1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.10 2edp s LEU 27 Cb 0.02 0.24 0.01 0.00 0.03 0.00 0.00 46.19 46.49 2edp s LEU 27 CO 0.28 -0.72 0.56 -1.59 0.23 0.00 0.00 176.35 175.11 2edp s LYS 28 N -4.04 1.61 7.19 1.70 -2.85 -1.20 -4.59 119.74 117.56 2edp s LYS 28 Ca 0.27 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 54.11 2edp s LYS 28 Cb 0.07 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 2edp s LYS 28 CO 0.04 -0.69 0.00 0.41 0.10 0.00 0.00 175.35 175.21 2edp n GLY 29 N -0.40 1.88 0.00 0.59 0.00 -1.26 -3.87 105.19 102.14 2edp n GLY 29 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.73 0.22 -0.02 0.00 -1.13 -4.67 105.19 97.86 2edp n GLY 30 Ca 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 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 0.29 -1.25 0.99 -0.00 -0.19 0.25 115.31 115.40 2edp h LEU 31 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2edp h LEU 31 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2edp h LEU 31 CO 0.00 0.57 0.47 -0.33 -0.00 0.00 0.00 178.44 179.15 2edp h GLU 32 N 0.26 0.00 0.00 0.17 5.08 -1.84 0.38 114.58 118.64 2edp h GLU 32 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2edp h GLU 32 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2edp h GLU 32 CO 0.05 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.78 2edp n HIS 33 N -2.55 0.00 -2.27 4.33 8.25 -0.99 -5.00 115.22 116.99 2edp n HIS 33 Ca -0.01 -0.16 -0.16 0.00 -0.26 0.00 0.00 57.72 57.12 2edp n HIS 33 Cb 0.50 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 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 -4.74 3.08 -0.91 0.00 2.02 0.83 -4.96 118.70 114.01 2edp s GLU 35 Ca 0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 54.97 54.32 2edp s GLU 35 Cb 0.00 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 2edp s GLU 35 CO 0.00 0.68 1.94 -1.25 0.02 0.00 0.00 175.26 176.65 2edp s PRO 36 N -1.44 2.56 -0.70 0.39 0.04 -1.26 -2.85 135.00 131.73 2edp s PRO 36 Ca 0.20 -0.32 -0.33 0.00 0.04 0.00 0.00 61.00 60.58 2edp s PRO 36 Cb -0.12 -5.07 -0.19 0.00 0.04 0.00 0.00 34.50 29.16 2edp s PRO 36 CO 0.10 -3.39 2.22 -0.11 0.04 0.00 0.00 177.00 175.86 2edp n LEU 37 N 13.95 0.45 -4.12 -3.56 7.94 -1.26 -4.83 117.00 125.57 2edp n LEU 37 Ca 0.40 0.37 -0.11 0.00 -1.11 0.00 0.00 56.01 55.56 2edp n LEU 37 Cb 0.47 -0.83 -0.10 0.00 0.53 0.00 0.00 43.42 43.49 2edp n LEU 37 CO 0.60 -0.67 -0.39 0.42 -1.11 0.00 0.00 177.39 176.24 2edp s THR 38 N 6.93 0.56 -0.10 1.96 -4.23 -1.25 -2.87 115.64 116.65 2edp s THR 38 Ca 1.17 -1.62 -0.41 0.00 -1.18 0.00 0.00 61.69 59.65 2edp s THR 38 Cb -1.24 -1.27 -0.19 0.00 1.34 0.00 0.00 72.50 71.13 2edp s THR 38 CO 0.51 -0.73 1.26 0.52 -0.54 0.00 0.00 174.62 175.64 2edp n VAL 39 N 0.50 0.02 -0.10 2.29 0.31 0.64 -3.24 118.33 118.74 2edp n VAL 39 Ca -0.16 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 2edp n VAL 39 Cb 0.59 -0.31 -0.14 0.00 -0.91 0.00 0.00 33.84 33.07 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 2.38 1.13 -3.60 4.52 3.41 -0.64 -2.68 113.62 118.14 2edp n SER 40 Ca 0.22 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.66 2edp n SER 40 Cb 0.07 0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.51 0.81 -0.31 4.33 2.47 -1.26 -4.97 119.74 118.29 2edp s LYS 41 Ca -0.22 0.68 -0.02 0.00 -1.56 0.00 0.00 55.97 54.85 2edp s LYS 41 Cb 0.08 0.39 0.10 0.00 -1.46 0.00 0.00 37.83 36.94 2edp s LYS 41 CO 0.72 -0.15 0.12 0.42 0.16 0.00 0.00 175.35 176.61 2edp s ILE 42 N -0.14 0.58 -0.48 5.43 1.01 -1.26 0.39 121.20 126.73 2edp s ILE 42 Ca -0.02 -1.29 -0.45 0.00 0.00 0.00 0.00 60.65 58.89 2edp s ILE 42 Cb -0.03 -1.45 -0.19 0.00 0.01 0.00 0.00 42.46 40.80 2edp s ILE 42 CO 0.02 -0.72 1.86 -0.62 0.00 0.00 0.00 174.94 175.47 2edp n GLU 43 N 4.85 0.09 -1.66 2.79 1.02 -1.18 -4.76 120.64 121.80 2edp n GLU 43 Ca -0.02 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 2edp n GLU 43 Cb 0.41 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 2edp n GLU 43 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2edp n ASP 44 N 5.75 3.95 0.00 1.62 9.92 -1.26 -0.94 116.55 135.60 2edp n ASP 44 Ca 0.41 0.85 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2edp n ASP 44 Cb -0.03 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 2edp n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2edp n GLY 45 N 4.65 3.44 2.17 0.44 0.00 -1.26 -5.05 105.19 109.57 2edp n GLY 45 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.80 -3.06 0.30 -0.02 0.00 -0.11 -4.34 105.19 96.16 2edp n GLY 46 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 0.77 -0.28 1.61 1.79 -1.33 -0.09 116.57 119.05 2edp h LYS 47 Ca -0.22 -0.16 -0.16 0.00 -2.18 0.00 0.00 60.65 57.93 2edp h LYS 47 Cb 0.74 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2edp h LYS 47 CO 0.13 0.71 -0.46 0.00 -1.08 0.00 0.00 179.45 178.76 2edp h ALA 48 N 1.37 0.43 -0.46 3.86 0.00 -1.79 -3.11 119.26 119.56 2edp h ALA 48 Ca 0.16 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2edp h ALA 48 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2edp h ALA 48 CO 0.00 0.58 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 2edp h ALA 49 N 0.67 0.69 -0.07 0.00 0.00 -1.71 -2.77 119.26 116.08 2edp h ALA 49 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2edp h ALA 49 Cb 1.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2edp h ALA 49 CO 0.10 0.67 0.07 -0.07 0.00 0.00 0.00 179.25 180.03 2edp h LEU 50 N 0.83 0.00 -0.54 0.00 3.38 -1.02 -0.88 115.31 117.08 2edp h LEU 50 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2edp h LEU 50 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2edp h LEU 50 CO 0.07 0.00 -0.57 0.28 0.09 0.00 0.00 178.44 178.31 2edp h SER 51 N 0.00 0.53 -2.48 -0.43 0.02 -1.42 -3.47 113.55 106.31 2edp h SER 51 Ca 0.03 -0.29 -0.37 0.00 -0.84 0.00 0.00 61.79 60.32 2edp h SER 51 Cb 0.17 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 2edp h SER 51 CO -0.00 0.99 -0.42 0.00 -1.14 0.00 0.00 176.83 176.26 2edp n GLN 52 N -3.93 -1.68 -0.03 3.45 6.02 -0.34 -4.81 117.38 116.05 2edp n GLN 52 Ca -0.03 0.96 0.03 0.00 -0.01 0.00 0.00 57.00 57.95 2edp n GLN 52 Cb 0.61 -5.50 -0.12 0.00 1.02 0.00 0.00 30.24 26.25 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 -2.68 0.86 -4.16 -1.09 4.76 -1.26 -5.01 118.16 109.58 2edp n LYS 53 Ca -0.21 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.02 2edp n LYS 53 Cb 0.64 -1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 32.35 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 -2.85 0.79 0.36 1.97 0.23 -1.26 -4.94 119.30 113.60 2edp s MET 54 Ca -0.06 -1.20 -0.08 0.00 -1.03 0.00 0.00 55.69 53.32 2edp s MET 54 Cb 0.08 -0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.09 2edp s MET 54 CO 0.65 0.02 0.61 1.03 -2.03 0.00 0.00 175.02 175.29 2edp s ARG 55 N -3.19 2.03 -0.04 3.16 0.52 -1.26 -4.85 118.95 115.33 2edp s ARG 55 Ca 0.07 -1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 53.38 2edp s ARG 55 Cb 0.01 0.52 -0.07 0.00 0.52 0.00 0.00 34.95 35.92 2edp s ARG 55 CO -0.02 -0.89 1.91 0.95 0.02 0.00 0.00 175.30 177.26 2edp s THR 56 N -2.80 3.19 0.00 0.02 -4.23 -1.26 -2.33 115.64 108.23 2edp s THR 56 Ca 0.24 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2edp s THR 56 Cb -0.02 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2edp s THR 56 CO 0.16 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2edp n GLY 57 N 4.63 1.79 3.78 3.99 0.00 -1.09 -4.98 105.19 113.31 2edp n GLY 57 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.72 6.63 -0.55 1.61 1.11 -0.98 -4.71 116.67 118.06 2edp s ASP 58 Ca 0.00 2.13 -0.19 0.00 0.18 0.00 0.00 52.55 54.67 2edp s ASP 58 Cb 0.00 -2.59 0.08 0.00 1.07 0.00 0.00 42.92 41.48 2edp s ASP 58 CO 0.00 -0.59 0.64 -0.70 1.18 0.00 0.00 175.17 175.71 2edp s GLU 59 N -2.48 3.07 -0.38 8.23 2.12 -1.25 -0.26 118.70 127.75 2edp s GLU 59 Ca 0.58 -1.16 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 2edp s GLU 59 Cb -0.24 -4.19 0.01 0.00 0.26 0.00 0.00 34.13 29.97 2edp s GLU 59 CO 0.31 -1.37 0.70 -1.17 -0.54 0.00 0.00 175.26 173.19 2edp s LEU 60 N 2.55 4.24 -0.02 2.70 0.20 -1.14 -2.62 118.68 124.59 2edp s LEU 60 Ca 0.12 0.14 0.08 0.00 0.69 0.00 0.00 54.13 55.16 2edp s LEU 60 Cb -0.22 -2.87 -0.13 0.00 -0.43 0.00 0.00 46.19 42.54 2edp s LEU 60 CO 0.08 -0.69 0.16 1.33 -0.29 0.00 0.00 176.35 176.95 2edp n VAL 61 N 5.73 0.08 -4.08 1.68 0.24 -1.24 -4.84 118.33 115.90 2edp n VAL 61 Ca 0.00 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.34 61.76 2edp n VAL 61 Cb 0.48 0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.14 3.65 -0.20 -1.34 3.84 -1.24 -0.50 114.94 116.02 2edp s ASN 62 Ca -0.03 -0.88 -0.01 0.00 0.21 0.00 0.00 52.86 52.15 2edp s ASN 62 Cb 0.05 -1.53 0.01 0.00 -0.55 0.00 0.00 41.25 39.23 2edp s ASN 62 CO 0.35 -0.07 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.83 2edp s ILE 63 N 1.25 2.59 -1.81 -5.21 1.01 -0.77 -2.02 121.20 116.22 2edp s ILE 63 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2edp s ILE 63 Cb -0.15 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2edp s ILE 63 CO -0.10 0.49 0.00 0.59 0.00 0.00 0.00 174.94 175.93 2edp n ASN 64 N 4.68 -5.57 0.00 3.58 3.02 0.42 -0.64 115.26 120.74 2edp n ASN 64 Ca -0.20 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2edp n ASN 64 Cb 0.50 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2edp n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edp n GLY 65 N -0.82 0.60 3.38 7.41 0.00 -1.04 -4.79 105.19 109.93 2edp n GLY 65 Ca -0.23 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.00 4.32 -0.13 2.61 2.01 0.18 -5.06 115.64 117.57 2edp s THR 66 Ca 0.00 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 2edp s THR 66 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2edp s THR 66 CO 0.00 -0.03 1.55 -2.16 -0.69 0.00 0.00 174.62 173.30 2edp s PRO 67 N 1.54 4.07 0.61 4.92 0.04 -1.26 -1.85 135.00 143.07 2edp s PRO 67 Ca 0.03 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.01 2edp s PRO 67 Cb -0.18 -3.95 0.09 0.00 0.04 0.00 0.00 34.50 30.50 2edp s PRO 67 CO 0.05 -0.96 0.84 -0.51 0.04 0.00 0.00 177.00 176.46 2edp s LEU 68 N 4.29 3.13 -0.06 -3.56 1.43 0.35 -5.02 118.68 119.23 2edp s LEU 68 Ca 0.68 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2edp s LEU 68 Cb -0.28 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.08 2edp s LEU 68 CO 0.26 -1.46 1.02 -1.22 0.23 0.00 0.00 176.35 175.18 2edp n TYR 69 N -2.44 0.00 -0.05 0.29 4.01 -1.26 -4.95 117.16 112.76 2edp n TYR 69 Ca 0.14 -0.58 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 2edp n TYR 69 Cb 0.61 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2edp n GLY 70 N -0.79 1.67 3.85 2.72 0.00 -1.26 -4.91 105.19 106.46 2edp n GLY 70 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2edp n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edp s SER 71 N -2.03 6.74 -0.01 1.61 0.15 -1.26 0.40 113.70 119.30 2edp s SER 71 Ca 0.00 0.88 -0.01 0.00 0.70 0.00 0.00 55.95 57.53 2edp s SER 71 Cb 0.00 -2.22 -0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2edp s SER 71 CO 0.00 0.31 0.20 -0.09 1.20 0.00 0.00 173.24 174.87 2edp h ARG 72 N 4.58 -0.02 -0.05 5.44 9.65 -1.95 -3.24 114.38 128.79 2edp h ARG 72 Ca -0.52 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.38 2edp h ARG 72 Cb 1.22 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 2edp h ARG 72 CO 0.62 -0.02 -0.28 1.96 2.80 0.00 0.00 179.97 185.06 2edp h GLN 73 N -0.10 -0.30 -0.77 0.20 1.08 -1.96 -0.84 115.11 112.43 2edp h GLN 73 Ca -0.00 0.02 0.28 0.00 -1.45 0.00 0.00 58.65 57.50 2edp h GLN 73 Cb 0.02 0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 27.38 2edp h GLN 73 CO 0.00 -0.20 0.26 -1.91 -0.95 0.00 0.00 178.83 176.03 2edp n GLU 74 N -4.02 -0.05 0.00 1.46 4.07 -1.26 0.34 120.64 121.18 2edp n GLU 74 Ca -0.03 1.09 0.00 0.00 -0.06 0.00 0.00 57.16 58.16 2edp n GLU 74 Cb 0.19 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 2edp n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2edp n ALA 75 N -2.76 -0.15 -0.24 4.31 0.00 -0.39 -2.06 120.51 119.22 2edp n ALA 75 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.65 2edp n ALA 75 Cb 0.83 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.16 -1.00 0.00 3.38 -0.59 0.36 115.31 116.30 2edp h LEU 76 Ca 0.00 0.24 0.24 0.00 0.09 0.00 0.00 57.88 58.46 2edp h LEU 76 Cb 0.00 0.60 -0.12 0.00 0.09 0.00 0.00 40.66 41.22 2edp h LEU 76 CO 0.00 -0.30 0.59 0.40 0.09 0.00 0.00 178.44 179.22 2edp h ILE 77 N -0.12 0.53 -0.13 1.22 2.04 -0.24 0.67 117.51 121.49 2edp h ILE 77 Ca 0.27 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.97 2edp h ILE 77 Cb 0.56 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2edp h ILE 77 CO -0.75 0.11 0.11 0.25 0.00 0.00 0.00 178.15 177.87 2edp h LEU 78 N 0.58 0.00 0.05 1.44 5.85 0.31 -2.43 115.31 121.11 2edp h LEU 78 Ca 0.64 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.28 2edp h LEU 78 Cb 1.22 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.26 2edp h LEU 78 CO -0.48 0.00 -0.37 0.40 -0.34 0.00 0.00 178.44 177.65 2edp h ILE 79 N 0.00 1.63 -0.69 4.05 2.04 0.50 -3.32 117.51 121.72 2edp h ILE 79 Ca 0.06 -2.32 0.29 0.00 1.00 0.00 0.00 64.86 63.89 2edp h ILE 79 Cb 0.28 3.16 -0.12 0.00 -0.74 0.00 0.00 36.82 39.39 2edp h ILE 79 CO -0.00 0.63 0.37 2.29 0.00 0.00 0.00 178.15 181.44 2edp n LYS 80 N -4.40 -0.04 -2.35 2.37 2.85 -0.91 0.14 118.16 115.82 2edp n LYS 80 Ca -0.11 0.95 -0.31 0.00 -1.05 0.00 0.00 58.31 57.79 2edp n LYS 80 Cb 0.61 -1.70 0.01 0.00 -0.65 0.00 0.00 35.03 33.30 2edp n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2edp n GLY 81 N -1.18 5.87 3.77 2.58 0.00 -1.24 -5.05 105.19 109.94 2edp n GLY 81 Ca 0.26 -2.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.30 2edp n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edp s SER 82 N -2.86 3.18 0.47 1.61 1.04 0.37 -5.06 113.70 112.46 2edp s SER 82 Ca 0.49 0.90 0.06 0.00 0.48 0.00 0.00 55.95 57.88 2edp s SER 82 Cb 0.40 -1.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.11 2edp s SER 82 CO -0.25 -2.75 0.30 -0.36 0.98 0.00 0.00 173.24 171.16 2edp s PHE 83 N -3.28 2.18 0.52 5.02 0.40 -1.26 -4.85 117.98 116.72 2edp s PHE 83 Ca 0.65 -0.69 0.39 0.00 -0.60 0.00 0.00 56.93 56.68 2edp s PHE 83 Cb -0.14 -1.97 1.56 0.00 0.51 0.00 0.00 43.02 42.98 2edp s PHE 83 CO 0.54 -0.15 1.70 0.00 0.70 0.00 0.00 175.22 178.01 2edp h ARG 84 N 1.06 0.04 -4.84 0.44 3.08 -1.96 -3.37 114.38 108.84 2edp h ARG 84 Ca -0.40 -0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.09 2edp h ARG 84 Cb 1.28 -0.01 -0.33 0.00 0.08 0.00 0.00 29.97 30.99 2edp h ARG 84 CO 0.62 0.03 -0.83 0.42 -1.07 0.00 0.00 179.97 179.14 2edp s ILE 85 N -5.01 1.38 0.04 2.04 1.01 -1.26 0.11 121.20 119.50 2edp s ILE 85 Ca -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2edp s ILE 85 Cb 0.25 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2edp s ILE 85 CO 0.84 0.41 -0.01 -0.22 0.00 0.00 0.00 174.94 175.96 2edp s LEU 86 N 0.49 3.46 -0.21 2.97 2.96 -1.05 -4.91 118.68 122.39 2edp s LEU 86 Ca -0.14 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2edp s LEU 86 Cb -0.16 -2.08 0.06 0.00 0.50 0.00 0.00 46.19 44.51 2edp s LEU 86 CO 0.05 0.23 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.76 2edp s LYS 87 N -1.89 1.08 -0.05 1.98 1.02 -1.26 0.17 119.74 120.79 2edp s LYS 87 Ca 0.22 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.62 2edp s LYS 87 Cb -0.12 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2edp s LYS 87 CO 0.14 -0.61 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.23 2edp s LEU 88 N 1.66 2.02 -0.33 3.17 1.43 -0.96 0.16 118.68 125.83 2edp s LEU 88 Ca -0.03 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2edp s LEU 88 Cb -0.18 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 44.93 2edp s LEU 88 CO -0.07 0.22 0.03 -0.63 0.23 0.00 0.00 176.35 176.13 2edp s ILE 89 N -0.17 2.34 0.08 -0.59 1.09 -0.86 0.64 121.20 123.72 2edp s ILE 89 Ca -0.01 -2.17 0.03 0.00 -1.10 0.00 0.00 60.65 57.39 2edp s ILE 89 Cb -0.12 -2.65 -0.04 0.00 -1.06 0.00 0.00 42.46 38.59 2edp s ILE 89 CO 0.02 -0.48 0.09 0.68 -0.10 0.00 0.00 174.94 175.15 2edp s VAL 90 N 0.96 4.58 -0.13 2.92 -7.23 -1.24 -3.62 120.40 116.64 2edp s VAL 90 Ca 0.07 -0.75 -0.04 0.00 -1.81 0.00 0.00 61.98 59.45 2edp s VAL 90 Cb -0.19 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 2edp s VAL 90 CO -0.07 0.12 0.01 0.00 -0.31 0.00 0.00 175.10 174.85 2edp s ARG 91 N -2.40 3.48 0.02 4.82 1.70 -1.08 -2.15 118.95 123.34 2edp s ARG 91 Ca 0.30 -0.42 0.03 0.00 -0.47 0.00 0.00 55.73 55.17 2edp s ARG 91 Cb -0.12 -2.95 -0.01 0.00 -0.57 0.00 0.00 34.95 31.29 2edp s ARG 91 CO 0.22 0.44 -0.09 -0.98 -1.08 0.00 0.00 175.30 173.82 2edp s ARG 92 N -0.16 0.65 -0.30 3.89 1.04 0.66 -3.81 118.95 120.91 2edp s ARG 92 Ca 0.05 -0.48 -0.36 0.00 -1.04 0.00 0.00 55.73 53.90 2edp s ARG 92 Cb -0.12 -0.58 -0.12 0.00 -2.04 0.00 0.00 34.95 32.08 2edp s ARG 92 CO 0.02 0.15 2.08 0.54 -0.04 0.00 0.00 175.30 178.04 2edp n ARG 93 N 2.35 1.22 -0.03 3.89 1.74 -1.26 -0.45 116.66 124.12 2edp n ARG 93 Ca -0.16 0.38 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 2edp n ARG 93 Cb 0.56 -2.42 -0.07 0.00 -1.02 0.00 0.00 32.46 29.52 2edp n ARG 93 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2edp h ASN 94 N 11.09 0.19 -3.58 0.55 -0.00 -1.81 -3.45 115.58 118.56 2edp h ASN 94 Ca -0.33 -0.30 -0.58 0.00 -0.00 0.00 0.00 56.30 55.09 2edp h ASN 94 Cb 1.31 -0.05 -0.19 0.00 -0.00 0.00 0.00 38.32 39.39 2edp h ASN 94 CO 1.00 0.44 -0.81 -0.55 -0.00 0.00 0.00 177.43 177.52 2edp s SER 95 N -5.69 2.93 0.00 1.15 0.15 -1.26 -4.89 113.70 106.09 2edp s SER 95 Ca -0.14 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2edp s SER 95 Cb 0.05 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2edp s SER 95 CO 0.70 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.80 2edp n GLY 96 N 0.48 0.90 0.07 9.45 0.00 -1.26 -4.90 105.19 109.92 2edp n GLY 96 Ca -0.14 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 2edp n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp h PRO 97 N 0.00 -0.04 -7.67 1.61 0.13 -1.93 -3.45 132.00 120.64 2edp h PRO 97 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2edp h PRO 97 Cb 0.00 0.01 0.16 0.00 0.13 0.00 0.00 31.00 31.30 2edp h PRO 97 CO 0.00 0.43 0.34 -1.12 -0.23 0.00 0.00 178.00 177.42 2edp s SER 98 N -5.63 2.75 0.47 1.44 0.01 -1.26 -5.09 113.70 106.38 2edp s SER 98 Ca -0.16 0.48 0.07 0.00 1.31 0.00 0.00 55.95 57.64 2edp s SER 98 Cb 0.02 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 2edp s SER 98 CO 0.65 -2.98 0.32 -0.94 0.41 0.00 0.00 173.24 170.70 2edp s SER 99 N -4.53 4.68 0.00 2.44 1.04 -1.26 -4.94 113.70 111.13 2edp s SER 99 Ca 0.71 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2edp s SER 99 Cb -0.07 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2edp s SER 99 CO 0.53 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.56