#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 1.96 -0.17 1.61 1.04 -1.26 -5.12 113.70 111.77 2edp s SER 2 Ca 0.00 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.83 2edp s SER 2 Cb 0.00 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 2edp s SER 2 CO 0.00 0.10 0.96 -0.94 0.98 0.00 0.00 173.24 174.33 2edp s SER 3 N 0.32 7.10 -0.01 7.02 1.04 -1.26 -4.98 113.70 122.94 2edp s SER 3 Ca -0.09 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.70 2edp s SER 3 Cb -0.13 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 2edp s SER 3 CO 0.03 -0.50 0.17 1.23 0.98 0.00 0.00 173.24 175.15 2edp h GLY 4 N 8.57 -0.03 -4.81 7.32 0.00 -1.99 -3.48 103.07 108.65 2edp h GLY 4 Ca -0.27 0.01 -0.30 0.00 0.00 0.00 0.00 47.33 46.77 2edp h GLY 4 CO 0.89 -0.01 -0.74 -0.45 0.00 0.00 0.00 176.54 176.22 2edp s SER 5 N -3.13 0.96 -0.48 0.19 0.15 -1.26 -5.08 113.70 105.05 2edp s SER 5 Ca -0.00 -0.50 -0.39 0.00 0.70 0.00 0.00 55.95 55.76 2edp s SER 5 Cb 0.00 0.01 -0.16 0.00 -1.71 0.00 0.00 66.02 64.16 2edp s SER 5 CO 0.01 -0.14 2.21 -1.20 1.20 0.00 0.00 173.24 175.32 2edp n SER 6 N 1.65 1.28 0.00 5.45 7.64 -1.26 -4.66 113.62 123.72 2edp n SER 6 Ca -0.21 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2edp n SER 6 Cb 0.55 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2edp n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edp n GLY 7 N 7.02 -0.12 0.00 0.23 0.00 -1.26 -5.12 105.19 105.94 2edp n GLY 7 Ca 0.50 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.45 -1.20 3.85 -0.02 0.00 -1.26 -4.99 105.19 100.11 2edp n GLY 8 Ca 0.00 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 6.66 0.25 1.61 0.01 -1.26 -5.08 113.70 115.89 2edp s SER 9 Ca 0.00 1.44 -0.05 0.00 1.31 0.00 0.00 55.95 58.64 2edp s SER 9 Cb 0.00 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2edp s SER 9 CO 0.00 -0.45 0.33 -0.36 0.41 0.00 0.00 173.24 173.16 2edp s PHE 10 N -2.41 0.89 -0.31 2.43 0.40 -1.26 -4.25 117.98 113.47 2edp s PHE 10 Ca 0.57 -1.14 0.02 0.00 -0.60 0.00 0.00 56.93 55.77 2edp s PHE 10 Cb -0.10 -0.21 0.08 0.00 0.51 0.00 0.00 43.02 43.30 2edp s PHE 10 CO 0.27 -0.87 -0.00 -1.14 0.70 0.00 0.00 175.22 174.17 2edp s GLN 11 N -3.87 2.02 -0.86 0.44 0.74 -1.25 -4.88 119.66 112.00 2edp s GLN 11 Ca 0.32 -1.55 -0.17 0.00 0.05 0.00 0.00 55.36 54.01 2edp s GLN 11 Cb 0.03 -3.13 0.16 0.00 1.10 0.00 0.00 33.01 31.17 2edp s GLN 11 CO 0.13 -0.75 0.96 0.71 -0.55 0.00 0.00 175.29 175.79 2edp s TYR 12 N 1.08 3.32 -0.54 1.67 2.02 -1.26 -2.87 117.35 120.77 2edp s TYR 12 Ca -0.00 -1.53 -0.16 0.00 -0.37 0.00 0.00 57.07 55.00 2edp s TYR 12 Cb -0.20 -4.10 0.12 0.00 -0.40 0.00 0.00 41.96 37.38 2edp s TYR 12 CO -0.05 -1.30 0.51 0.54 -1.57 0.00 0.00 175.55 173.67 2edp s VAL 13 N 1.86 5.18 -0.70 0.71 0.11 -1.11 -4.92 120.40 121.52 2edp s VAL 13 Ca 0.25 -1.41 -0.26 0.00 -2.93 0.00 0.00 61.98 57.63 2edp s VAL 13 Cb -0.09 -4.33 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 2edp s VAL 13 CO -0.07 -0.86 1.89 -2.16 -3.33 0.00 0.00 175.10 170.56 2edp s PRO 14 N 1.70 2.60 -0.88 1.54 0.04 -1.26 -3.69 135.00 135.05 2edp s PRO 14 Ca 0.04 0.34 -0.25 0.00 0.04 0.00 0.00 61.00 61.17 2edp s PRO 14 Cb -0.29 -4.60 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 2edp s PRO 14 CO 0.04 -2.94 1.79 0.08 0.04 0.00 0.00 177.00 176.01 2edp s VAL 15 N 9.41 3.56 -0.60 -0.36 1.01 0.18 -4.82 120.40 128.79 2edp s VAL 15 Ca 0.68 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 2edp s VAL 15 Cb -0.11 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2edp s VAL 15 CO 0.14 -1.22 1.14 -1.58 0.00 0.00 0.00 175.10 173.58 2edp s GLN 16 N 6.49 3.42 0.39 2.72 0.74 -1.26 -3.04 119.66 129.12 2edp s GLN 16 Ca 0.62 0.03 -0.12 0.00 0.05 0.00 0.00 55.36 55.95 2edp s GLN 16 Cb -0.06 -4.05 -0.07 0.00 1.10 0.00 0.00 33.01 29.93 2edp s GLN 16 CO 0.01 -1.70 0.77 -0.51 -0.55 0.00 0.00 175.29 173.31 2edp s LEU 17 N 4.80 3.87 -0.02 3.68 1.43 0.14 -4.90 118.68 127.68 2edp s LEU 17 Ca 0.38 1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2edp s LEU 17 Cb -0.09 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.09 2edp s LEU 17 CO 0.22 -0.37 0.07 -1.10 0.23 0.00 0.00 176.35 175.40 2edp s GLN 18 N -3.69 0.14 0.00 1.70 -0.21 -1.26 -1.72 119.66 114.62 2edp s GLN 18 Ca 0.52 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.89 2edp s GLN 18 Cb -0.10 0.06 0.00 0.00 1.00 0.00 0.00 33.01 33.97 2edp s GLN 18 CO 0.29 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 2edp n GLY 19 N 2.76 2.75 0.00 3.09 0.00 0.32 -4.97 105.19 109.14 2edp n GLY 19 Ca -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 2.29 3.26 -0.02 0.00 0.20 -4.75 105.19 106.16 2edp n GLY 20 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 1.75 -3.87 -1.90 4.61 0.00 -1.26 -4.60 120.51 115.24 2edp n ALA 21 Ca 0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.18 2edp n ALA 21 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.10 4.42 -0.02 0.00 0.04 -1.26 -5.10 135.00 129.99 2edp s PRO 22 Ca 0.51 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.44 2edp s PRO 22 Cb -0.15 -3.16 -0.33 0.00 0.04 0.00 0.00 34.50 30.90 2edp s PRO 22 CO 0.70 -0.15 0.85 -1.49 0.04 0.00 0.00 177.00 176.95 2edp h TRP 23 N 4.57 0.76 -0.54 0.56 4.06 -1.98 -3.38 115.95 120.00 2edp h TRP 23 Ca -0.46 -0.56 0.00 0.00 2.06 0.00 0.00 58.89 59.93 2edp h TRP 23 Cb 1.22 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2edp h TRP 23 CO 0.60 1.53 0.00 0.41 -3.56 0.00 0.00 178.44 177.42 2edp n GLY 24 N 1.74 0.79 3.11 1.49 0.00 -1.26 0.38 105.19 111.44 2edp n GLY 24 Ca -0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.16 -0.22 0.38 1.61 -0.12 -1.26 -0.83 117.98 115.37 2edp s PHE 25 Ca 0.00 0.53 0.05 0.00 -0.05 0.00 0.00 56.93 57.46 2edp s PHE 25 Cb 0.00 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 2edp s PHE 25 CO 0.00 -0.14 0.19 0.95 -0.05 0.00 0.00 175.22 176.17 2edp s THR 26 N -0.04 0.33 0.10 -4.49 -4.23 0.18 -4.97 115.64 102.51 2edp s THR 26 Ca -0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2edp s THR 26 Cb -0.02 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 2edp s THR 26 CO 0.01 0.00 0.01 -0.76 -0.54 0.00 0.00 174.62 173.33 2edp s LEU 27 N -3.51 2.14 0.34 4.79 1.43 -1.26 -1.58 118.68 121.03 2edp s LEU 27 Ca 0.30 -1.11 0.06 0.00 -1.03 0.00 0.00 54.13 52.36 2edp s LEU 27 Cb 0.02 0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.41 2edp s LEU 27 CO 0.20 -0.64 0.25 -1.59 0.23 0.00 0.00 176.35 174.79 2edp s LYS 28 N -3.97 1.78 6.10 1.70 -2.85 -0.80 -4.55 119.74 117.14 2edp s LYS 28 Ca 0.16 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 53.09 2edp s LYS 28 Cb 0.07 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 2edp s LYS 28 CO -0.03 -0.61 0.00 0.41 0.10 0.00 0.00 175.35 175.22 2edp n GLY 29 N -0.67 2.20 0.00 0.59 0.00 -1.26 -3.33 105.19 102.71 2edp n GLY 29 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 2.74 0.56 -0.02 0.00 0.63 -4.65 105.19 104.45 2edp n GLY 30 Ca 0.00 -1.86 0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -0.00 0.99 8.10 -1.61 0.71 115.31 123.49 2edp h LEU 31 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.02 2edp h LEU 31 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.16 2edp h LEU 31 CO 0.00 0.00 -0.43 -0.08 -4.11 0.00 0.00 178.44 173.82 2edp h GLU 32 N 0.00 -0.56 -0.52 0.17 4.22 -1.84 -2.14 114.58 113.90 2edp h GLU 32 Ca 0.58 0.04 0.00 0.00 0.08 0.00 0.00 59.36 60.06 2edp h GLU 32 Cb 2.80 0.13 0.00 0.00 0.50 0.00 0.00 28.75 32.18 2edp h GLU 32 CO -0.01 -0.37 0.00 0.72 -2.18 0.00 0.00 179.01 177.17 2edp n HIS 33 N -5.45 0.68 -2.48 0.92 8.25 0.10 -4.93 115.22 112.31 2edp n HIS 33 Ca -0.06 -0.34 -0.11 0.00 -0.26 0.00 0.00 57.72 56.95 2edp n HIS 33 Cb 0.37 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.49 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 -4.90 2.35 -0.67 0.00 2.02 -0.81 -4.93 118.70 111.76 2edp s GLU 35 Ca 0.10 -0.85 -0.26 0.00 0.02 0.00 0.00 54.97 53.97 2edp s GLU 35 Cb -0.04 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2edp s GLU 35 CO 0.12 0.56 1.88 -1.25 0.02 0.00 0.00 175.26 176.60 2edp s PRO 36 N -1.67 2.61 -1.00 0.39 0.04 -1.26 -0.27 135.00 133.84 2edp s PRO 36 Ca 0.18 0.43 -0.23 0.00 0.04 0.00 0.00 61.00 61.41 2edp s PRO 36 Cb -0.11 -4.53 -0.26 0.00 0.04 0.00 0.00 34.50 29.64 2edp s PRO 36 CO 0.09 -2.87 2.51 -0.11 0.04 0.00 0.00 177.00 176.66 2edp n LEU 37 N 13.02 -0.30 -4.20 -3.56 7.94 -1.26 -4.71 117.00 123.93 2edp n LEU 37 Ca 0.24 -0.08 -0.18 0.00 -1.11 0.00 0.00 56.01 54.89 2edp n LEU 37 Cb 0.51 -0.79 -0.12 0.00 0.53 0.00 0.00 43.42 43.55 2edp n LEU 37 CO 0.69 -0.98 -0.45 0.42 -1.11 0.00 0.00 177.39 175.96 2edp s THR 38 N 5.96 1.19 0.05 1.96 -4.23 -1.21 -2.73 115.64 116.63 2edp s THR 38 Ca 1.34 -1.50 -0.33 0.00 -1.18 0.00 0.00 61.69 60.03 2edp s THR 38 Cb -1.11 -1.28 -0.17 0.00 1.34 0.00 0.00 72.50 71.28 2edp s THR 38 CO 0.51 -0.32 0.81 0.52 -0.54 0.00 0.00 174.62 175.60 2edp n VAL 39 N 0.93 0.54 -0.06 2.29 0.31 0.92 -1.90 118.33 121.35 2edp n VAL 39 Ca -0.19 -0.13 -0.07 0.00 -0.01 0.00 0.00 64.34 63.94 2edp n VAL 39 Cb 0.55 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.42 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 1.48 2.78 -3.60 4.52 3.41 -0.61 -2.90 113.62 118.70 2edp n SER 40 Ca 0.17 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 2edp n SER 40 Cb 0.12 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.24 0.85 -0.23 4.33 2.47 -1.25 -4.96 119.74 118.70 2edp s LYS 41 Ca -0.11 0.73 -0.04 0.00 -1.56 0.00 0.00 55.97 54.99 2edp s LYS 41 Cb 0.04 0.41 0.08 0.00 -1.46 0.00 0.00 37.83 36.90 2edp s LYS 41 CO 0.35 -0.16 0.10 0.42 0.16 0.00 0.00 175.35 176.22 2edp s ILE 42 N -0.12 0.07 0.03 5.43 1.01 -1.26 0.47 121.20 126.83 2edp s ILE 42 Ca -0.03 -0.53 -0.37 0.00 0.00 0.00 0.00 60.65 59.73 2edp s ILE 42 Cb -0.03 -0.87 -0.16 0.00 0.01 0.00 0.00 42.46 41.41 2edp s ILE 42 CO 0.03 -0.47 1.48 -0.62 0.00 0.00 0.00 174.94 175.36 2edp n GLU 43 N 5.21 1.41 -2.16 2.79 -0.58 -0.01 -4.85 120.64 122.45 2edp n GLU 43 Ca -0.06 0.51 -0.43 0.00 -0.42 0.00 0.00 57.16 56.76 2edp n GLU 43 Cb 0.46 -2.20 -0.02 0.00 -0.57 0.00 0.00 31.44 29.10 2edp n GLU 43 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2edp s ASP 44 N 1.26 6.47 0.00 1.62 -4.77 -1.26 -2.76 116.67 117.24 2edp s ASP 44 Ca 0.86 1.63 0.00 0.00 -3.30 0.00 0.00 52.55 51.74 2edp s ASP 44 Cb -0.90 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 38.40 2edp s ASP 44 CO 0.48 -1.18 0.00 0.61 0.70 0.00 0.00 175.17 175.79 2edp n GLY 45 N 4.51 0.88 1.73 2.12 0.00 -1.26 -5.05 105.19 108.11 2edp n GLY 45 Ca 0.18 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.73 0.27 -0.02 0.00 -1.11 -4.32 105.19 96.27 2edp n GLY 46 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 0.90 -0.64 1.61 6.56 -0.26 0.18 116.57 124.92 2edp h LYS 47 Ca -0.21 -0.26 -0.02 0.00 -1.06 0.00 0.00 60.65 59.11 2edp h LYS 47 Cb 0.70 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.24 2edp h LYS 47 CO 0.12 0.90 0.33 0.00 -2.06 0.00 0.00 179.45 178.74 2edp h ALA 48 N 0.97 0.82 0.07 3.86 0.00 -1.51 -1.24 119.26 122.23 2edp h ALA 48 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2edp h ALA 48 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2edp h ALA 48 CO 0.02 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 2edp h ALA 49 N 1.16 -0.09 -0.91 0.00 0.00 -1.72 -3.22 119.26 114.48 2edp h ALA 49 Ca 0.22 -0.28 0.19 0.00 0.00 0.00 0.00 54.91 55.05 2edp h ALA 49 Cb 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2edp h ALA 49 CO -0.03 -0.23 0.60 -0.07 0.00 0.00 0.00 179.25 179.51 2edp h LEU 50 N -0.73 0.48 -1.18 0.00 3.38 -0.62 0.13 115.31 116.77 2edp h LEU 50 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2edp h LEU 50 Cb 0.59 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2edp h LEU 50 CO 0.02 0.20 0.40 0.28 0.09 0.00 0.00 178.44 179.42 2edp h SER 51 N 0.48 0.85 -2.60 -0.43 0.02 -1.24 -3.46 113.55 107.17 2edp h SER 51 Ca 0.48 -0.06 -0.39 0.00 -0.84 0.00 0.00 61.79 60.98 2edp h SER 51 Cb 1.08 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.35 2edp h SER 51 CO -0.20 0.67 -0.46 0.00 -1.14 0.00 0.00 176.83 175.70 2edp n GLN 52 N -4.38 -1.69 -0.08 3.45 1.13 0.47 -4.83 117.38 111.46 2edp n GLN 52 Ca 0.07 1.00 -0.07 0.00 -1.94 0.00 0.00 57.00 56.05 2edp n GLN 52 Cb 0.09 -5.58 -0.12 0.00 0.11 0.00 0.00 30.24 24.74 2edp n GLN 52 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2edp n LYS 53 N -2.80 1.49 -4.28 -1.09 4.76 -1.26 -5.00 118.16 109.98 2edp n LYS 53 Ca -0.22 -0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.01 2edp n LYS 53 Cb 0.67 -1.39 -0.13 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.38 0.91 0.29 1.97 0.23 -1.26 -5.01 119.30 114.05 2edp s MET 54 Ca -0.08 -0.88 -0.03 0.00 -1.03 0.00 0.00 55.69 53.67 2edp s MET 54 Cb 0.05 -0.95 -0.01 0.00 -1.53 0.00 0.00 34.83 32.39 2edp s MET 54 CO 0.63 0.22 0.39 1.03 -2.03 0.00 0.00 175.02 175.26 2edp s ARG 55 N -1.46 1.68 -0.16 3.16 1.81 -1.26 -4.79 118.95 117.93 2edp s ARG 55 Ca 0.01 -1.65 -0.36 0.00 -1.72 0.00 0.00 55.73 52.01 2edp s ARG 55 Cb -0.09 0.40 -0.13 0.00 -0.45 0.00 0.00 34.95 34.69 2edp s ARG 55 CO 0.02 -0.67 1.87 0.25 -0.68 0.00 0.00 175.30 176.09 2edp n THR 56 N -0.47 0.49 0.00 0.02 -2.24 -1.26 -2.10 114.28 108.72 2edp n THR 56 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2edp n THR 56 Cb 0.63 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 4.48 0.90 3.76 3.38 0.00 -1.14 -4.98 105.19 111.59 2edp n GLY 57 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.76 5.56 -0.57 1.61 1.01 -0.89 -4.63 116.67 118.00 2edp s ASP 58 Ca 0.00 2.73 -0.13 0.00 0.71 0.00 0.00 52.55 55.86 2edp s ASP 58 Cb 0.00 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.44 2edp s ASP 58 CO 0.00 -1.37 0.49 -0.70 0.21 0.00 0.00 175.17 173.80 2edp s GLU 59 N -2.76 2.92 -0.20 8.23 2.12 -1.24 -0.06 118.70 127.72 2edp s GLU 59 Ca 0.68 -1.88 -0.29 0.00 0.36 0.00 0.00 54.97 53.84 2edp s GLU 59 Cb -0.39 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 29.81 2edp s GLU 59 CO 0.48 -1.28 1.00 -1.17 -0.54 0.00 0.00 175.26 173.75 2edp s LEU 60 N 1.24 4.14 -0.00 2.70 0.20 -1.11 -1.91 118.68 123.94 2edp s LEU 60 Ca 0.07 1.38 0.00 0.00 0.69 0.00 0.00 54.13 56.26 2edp s LEU 60 Cb -0.25 -3.50 -0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2edp s LEU 60 CO -0.00 -0.59 0.00 1.33 -0.29 0.00 0.00 176.35 176.80 2edp n VAL 61 N 5.11 0.01 -3.96 1.68 0.24 -1.21 -4.83 118.33 115.36 2edp n VAL 61 Ca 0.10 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.34 62.05 2edp n VAL 61 Cb 0.47 -0.36 -0.14 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.60 4.27 -0.19 -1.34 3.84 -1.23 -0.70 114.94 117.00 2edp s ASN 62 Ca -0.00 -0.80 -0.00 0.00 0.21 0.00 0.00 52.86 52.27 2edp s ASN 62 Cb 0.00 -1.67 0.01 0.00 -0.55 0.00 0.00 41.25 39.04 2edp s ASN 62 CO 0.01 -0.11 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.42 2edp s ILE 63 N 1.35 2.46 -1.55 -5.21 1.01 -0.73 -1.79 121.20 116.73 2edp s ILE 63 Ca 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2edp s ILE 63 Cb -0.16 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2edp s ILE 63 CO -0.05 0.51 0.07 0.59 0.00 0.00 0.00 174.94 176.06 2edp n ASN 64 N 4.62 -5.33 0.00 3.58 3.02 0.28 -0.56 115.26 120.86 2edp n ASN 64 Ca -0.20 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2edp n ASN 64 Cb 0.50 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 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 -1.01 0.42 3.26 7.41 0.00 -1.23 -4.92 105.19 109.12 2edp n GLY 65 Ca -0.20 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 3.36 -0.07 2.61 2.01 0.27 -5.08 115.64 116.74 2edp s THR 66 Ca 0.00 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 2edp s THR 66 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 2edp s THR 66 CO 0.00 0.12 1.51 -2.16 -0.69 0.00 0.00 174.62 173.40 2edp s PRO 67 N 1.40 4.21 0.34 4.92 0.04 -1.26 -1.77 135.00 142.87 2edp s PRO 67 Ca 0.01 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2edp s PRO 67 Cb -0.17 -3.85 0.06 0.00 0.04 0.00 0.00 34.50 30.58 2edp s PRO 67 CO -0.01 -0.77 0.46 1.28 0.04 0.00 0.00 177.00 178.01 2edp n LEU 68 N 6.69 0.00 0.00 -3.56 4.77 0.13 -5.01 117.00 120.01 2edp n LEU 68 Ca 0.16 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 2edp n LEU 68 Cb 0.43 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2edp n LEU 68 CO 0.60 -0.68 -0.19 -1.22 -1.33 0.00 0.00 177.39 174.57 2edp n TYR 69 N -1.90 0.00 0.00 -1.77 4.01 -1.26 -4.98 117.16 111.26 2edp n TYR 69 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2edp n TYR 69 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.94 0.59 3.25 2.72 0.00 -1.26 -4.91 105.19 107.51 2edp n GLY 70 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2edp n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edp n SER 71 N 0.00 -2.26 -0.08 1.61 2.88 -1.26 -2.82 113.62 111.69 2edp n SER 71 Ca 0.00 0.90 -0.23 0.00 -1.33 0.00 0.00 58.87 58.21 2edp n SER 71 Cb 0.00 -0.88 -0.12 0.00 -0.75 0.00 0.00 64.21 62.46 2edp n SER 71 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2edp n ARG 72 N 1.19 0.64 0.13 -1.46 3.00 -1.26 -4.17 116.66 114.73 2edp n ARG 72 Ca 0.13 0.37 -0.06 0.00 -0.00 0.00 0.00 57.85 58.29 2edp n ARG 72 Cb 0.34 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 2edp n ARG 72 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2edp h GLN 73 N -0.57 -0.34 -0.74 -0.14 7.50 -1.98 -2.91 115.11 115.92 2edp h GLN 73 Ca -0.48 0.02 0.10 0.00 0.50 0.00 0.00 58.65 58.80 2edp h GLN 73 Cb 1.65 0.08 -0.11 0.00 0.05 0.00 0.00 27.48 29.15 2edp h GLN 73 CO -0.16 -0.23 -0.33 -1.91 -1.50 0.00 0.00 178.83 174.71 2edp n GLU 74 N -3.04 -0.21 0.00 1.46 2.13 -1.26 -0.29 120.64 119.43 2edp n GLU 74 Ca -0.04 1.14 0.00 0.00 0.66 0.00 0.00 57.16 58.91 2edp n GLU 74 Cb 0.14 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 -3.57 -0.12 -0.26 4.31 0.00 -1.19 -0.43 120.51 119.26 2edp n ALA 75 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2edp n ALA 75 Cb 0.27 0.32 0.19 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.02 -1.34 0.00 3.38 -0.99 0.29 115.31 116.63 2edp h LEU 76 Ca 0.00 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2edp h LEU 76 Cb 0.00 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2edp h LEU 76 CO 0.00 -0.06 0.58 0.40 0.09 0.00 0.00 178.44 179.44 2edp h ILE 77 N 0.25 0.79 -0.22 1.22 2.04 0.14 -1.27 117.51 120.44 2edp h ILE 77 Ca 0.43 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 2edp h ILE 77 Cb 0.76 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2edp h ILE 77 CO -0.54 0.11 0.11 0.25 0.00 0.00 0.00 178.15 178.08 2edp h LEU 78 N 0.61 0.28 -0.81 1.44 5.85 0.24 -2.82 115.31 120.11 2edp h LEU 78 Ca 0.46 -0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.24 2edp h LEU 78 Cb 0.84 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 2edp h LEU 78 CO -0.21 0.31 0.32 0.40 -0.34 0.00 0.00 178.44 178.92 2edp h ILE 79 N 0.24 0.58 -1.30 4.05 2.04 -1.04 0.71 117.51 122.79 2edp h ILE 79 Ca 0.08 -0.14 0.42 0.00 1.00 0.00 0.00 64.86 66.21 2edp h ILE 79 Cb 0.09 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.17 2edp h ILE 79 CO -0.01 0.08 0.84 0.11 0.00 0.00 0.00 178.15 179.17 2edp h LYS 80 N 0.42 0.11 -0.22 2.37 1.57 -1.35 1.19 116.57 120.66 2edp h LYS 80 Ca 0.47 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.14 2edp h LYS 80 Cb 0.78 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2edp h LYS 80 CO -0.46 0.07 -0.29 0.78 -0.57 0.00 0.00 179.45 178.99 2edp h GLY 81 N 0.11 0.46 -2.89 3.86 0.00 -0.97 -3.45 103.07 100.19 2edp h GLY 81 Ca 0.79 -0.39 -0.40 0.00 0.00 0.00 0.00 47.33 47.33 2edp h GLY 81 CO -0.39 0.36 -0.48 -1.14 0.00 0.00 0.00 176.54 174.88 2edp n SER 82 N -4.10 -1.37 0.00 0.19 3.41 0.41 -4.94 113.62 107.21 2edp n SER 82 Ca -0.01 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2edp n SER 82 Cb 0.42 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.37 0.00 0.00 7.33 3.72 -1.26 -4.89 117.46 121.99 2edp n PHE 83 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2edp n PHE 83 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.87 0.49 -4.98 -1.08 1.85 -1.26 -4.24 116.66 105.57 2edp n ARG 84 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2edp n ARG 84 Cb 0.00 -0.83 -0.14 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.66 2.79 0.06 8.89 1.01 -1.26 0.59 121.20 131.62 2edp s ILE 85 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.92 2edp s ILE 85 Cb 0.00 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 2edp s ILE 85 CO 0.00 0.58 -0.23 -0.22 0.00 0.00 0.00 174.94 175.07 2edp s LEU 86 N -0.48 2.20 -0.19 2.97 2.96 -0.70 -4.94 118.68 120.50 2edp s LEU 86 Ca 0.06 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2edp s LEU 86 Cb -0.12 -1.08 0.05 0.00 0.50 0.00 0.00 46.19 45.54 2edp s LEU 86 CO 0.01 0.18 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.63 2edp s LYS 87 N -1.38 1.44 -0.06 1.98 1.02 -1.26 0.26 119.74 121.75 2edp s LYS 87 Ca 0.09 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2edp s LYS 87 Cb -0.09 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 2edp s LYS 87 CO 0.03 -0.49 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.33 2edp s LEU 88 N 1.59 1.71 -0.37 3.17 1.43 -1.17 0.10 118.68 125.14 2edp s LEU 88 Ca -0.01 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2edp s LEU 88 Cb -0.16 -0.82 0.08 0.00 0.03 0.00 0.00 46.19 45.32 2edp s LEU 88 CO -0.07 0.06 0.14 -0.63 0.23 0.00 0.00 176.35 176.07 2edp s ILE 89 N 0.50 3.31 0.00 -0.59 1.09 -0.74 0.49 121.20 125.27 2edp s ILE 89 Ca -0.12 -1.72 -0.03 0.00 -1.10 0.00 0.00 60.65 57.69 2edp s ILE 89 Cb -0.14 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 2edp s ILE 89 CO 0.03 -0.45 0.20 0.68 -0.10 0.00 0.00 174.94 175.31 2edp s VAL 90 N 1.22 5.40 -0.19 2.92 -7.23 -1.24 -3.31 120.40 117.97 2edp s VAL 90 Ca 0.03 -0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.04 2edp s VAL 90 Cb -0.22 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2edp s VAL 90 CO -0.02 0.30 -0.06 0.00 -0.31 0.00 0.00 175.10 175.01 2edp s ARG 91 N -1.99 3.40 -0.48 4.82 1.70 -0.80 -2.77 118.95 122.84 2edp s ARG 91 Ca 0.28 -0.63 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 2edp s ARG 91 Cb -0.13 -2.91 0.15 0.00 -0.57 0.00 0.00 34.95 31.49 2edp s ARG 91 CO 0.19 -0.06 0.30 -0.98 -1.08 0.00 0.00 175.30 173.67 2edp s ARG 92 N 1.11 1.38 0.01 3.89 1.70 -1.14 -3.64 118.95 122.27 2edp s ARG 92 Ca 0.01 -2.23 -0.35 0.00 -0.47 0.00 0.00 55.73 52.69 2edp s ARG 92 Cb -0.15 -2.29 -0.18 0.00 -0.57 0.00 0.00 34.95 31.76 2edp s ARG 92 CO -0.01 -1.23 0.93 2.89 -1.08 0.00 0.00 175.30 176.80 2edp n ARG 93 N 3.15 0.00 -3.53 3.89 1.85 -1.26 -3.84 116.66 116.92 2edp n ARG 93 Ca 0.15 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.62 2edp n ARG 93 Cb 0.37 -1.32 -0.09 0.00 -1.05 0.00 0.00 32.46 30.37 2edp n ARG 93 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2edp s ASN 94 N -0.06 6.22 0.45 2.89 -0.87 -1.26 -4.93 114.94 117.38 2edp s ASN 94 Ca 0.80 0.25 -0.22 0.00 -1.57 0.00 0.00 52.86 52.12 2edp s ASN 94 Cb -1.12 -2.16 -0.11 0.00 -0.02 0.00 0.00 41.25 37.84 2edp s ASN 94 CO 0.51 -0.02 0.73 -1.54 -2.57 0.00 0.00 177.10 174.21 2edp n SER 95 N 4.56 -0.08 0.00 -1.22 3.41 -1.26 -4.97 113.62 114.06 2edp n SER 95 Ca -0.12 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2edp n SER 95 Cb 0.52 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2edp n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2edp n GLY 96 N 1.55 3.25 3.77 5.00 0.00 -1.26 -5.15 105.19 112.35 2edp n GLY 96 Ca 0.11 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 1.33 3.91 0.55 1.61 0.04 -1.26 -5.01 135.00 136.17 2edp s PRO 97 Ca 0.00 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 2edp s PRO 97 Cb 0.00 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 2edp s PRO 97 CO 0.00 -0.44 1.08 0.45 0.04 0.00 0.00 177.00 178.13 2edp s SER 98 N -1.20 5.88 0.04 6.66 0.15 -1.26 -5.07 113.70 118.90 2edp s SER 98 Ca 0.60 1.98 -0.00 0.00 0.70 0.00 0.00 55.95 59.23 2edp s SER 98 Cb -0.30 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.42 2edp s SER 98 CO 0.38 -1.10 -0.04 -0.55 1.20 0.00 0.00 173.24 173.13 2edp s SER 99 N -2.19 0.42 0.00 5.45 0.15 -1.26 -5.23 113.70 111.05 2edp s SER 99 Ca 0.68 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2edp s SER 99 Cb -0.19 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2edp s SER 99 CO 0.29 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.92