#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp h SER 2 N 0.00 -0.24 -3.65 1.61 0.87 -2.10 -3.43 113.55 106.62 2edp h SER 2 Ca 0.00 -0.27 -0.69 0.00 -1.23 0.00 0.00 61.79 59.60 2edp h SER 2 Cb 0.00 0.06 -0.21 0.00 -0.44 0.00 0.00 62.40 61.81 2edp h SER 2 CO 0.00 0.28 -0.49 -0.55 -0.53 0.00 0.00 176.83 175.54 2edp s SER 3 N -5.36 5.92 0.17 6.23 0.15 -1.26 -4.76 113.70 114.80 2edp s SER 3 Ca -0.12 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2edp s SER 3 Cb 0.01 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2edp s SER 3 CO 0.43 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2edp n GLY 4 N 5.08 -1.80 4.27 9.45 0.00 -1.26 -5.03 105.19 115.90 2edp n GLY 4 Ca -0.12 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 2edp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edp n SER 5 N -2.77 -2.22 -4.77 1.61 2.88 -1.26 -4.86 113.62 102.22 2edp n SER 5 Ca 0.00 -1.09 -0.39 0.00 -1.33 0.00 0.00 58.87 56.06 2edp n SER 5 Cb 0.00 -2.43 -0.01 0.00 -0.75 0.00 0.00 64.21 61.02 2edp n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2edp s SER 6 N -3.52 6.43 -0.28 -3.46 0.01 -1.26 -5.02 113.70 106.59 2edp s SER 6 Ca 0.60 2.56 0.02 0.00 1.31 0.00 0.00 55.95 60.44 2edp s SER 6 Cb -0.34 -2.63 0.17 0.00 0.21 0.00 0.00 66.02 63.43 2edp s SER 6 CO 0.95 -0.76 0.45 -0.83 0.41 0.00 0.00 173.24 173.46 2edp s GLY 7 N -0.84 -0.70 -0.62 3.44 0.00 -1.26 -5.10 107.32 102.24 2edp s GLY 7 Ca 0.56 0.55 -0.26 0.00 0.00 0.00 0.00 44.72 45.57 2edp s GLY 7 CO 0.46 3.13 1.99 -0.32 0.00 0.00 0.00 173.10 178.36 2edp s GLY 8 N 2.61 0.05 0.28 0.20 0.00 -1.26 -4.60 107.32 104.59 2edp s GLY 8 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2edp s GLY 8 CO -0.27 3.58 0.28 -1.35 0.00 0.00 0.00 173.10 175.34 2edp s SER 9 N 8.96 0.79 0.21 1.64 1.04 -1.26 -5.06 113.70 120.02 2edp s SER 9 Ca 0.74 -1.49 0.12 0.00 0.48 0.00 0.00 55.95 55.79 2edp s SER 9 Cb -0.13 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2edp s SER 9 CO 0.20 -1.03 -0.23 -0.36 0.98 0.00 0.00 173.24 172.80 2edp s PHE 10 N -3.70 2.29 -0.08 5.02 0.40 -1.26 -2.21 117.98 118.45 2edp s PHE 10 Ca 0.36 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 2edp s PHE 10 Cb 0.03 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.47 2edp s PHE 10 CO 0.19 0.55 -0.20 -1.14 0.70 0.00 0.00 175.22 175.32 2edp s GLN 11 N -2.88 2.39 -0.31 0.44 0.74 -1.20 -4.86 119.66 113.99 2edp s GLN 11 Ca 0.23 -0.70 -0.09 0.00 0.05 0.00 0.00 55.36 54.84 2edp s GLN 11 Cb -0.07 -1.90 -0.01 0.00 1.10 0.00 0.00 33.01 32.13 2edp s GLN 11 CO 0.11 0.17 0.15 0.71 -0.55 0.00 0.00 175.29 175.87 2edp s TYR 12 N 0.33 3.18 -0.64 1.67 1.51 -1.26 -1.45 117.35 120.69 2edp s TYR 12 Ca -0.14 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 55.22 2edp s TYR 12 Cb -0.16 -2.35 0.16 0.00 -0.11 0.00 0.00 41.96 39.51 2edp s TYR 12 CO 0.06 -0.46 0.55 0.08 -1.11 0.00 0.00 175.55 174.67 2edp s VAL 13 N 1.61 4.91 -0.42 0.71 1.01 0.97 -4.91 120.40 124.28 2edp s VAL 13 Ca 0.04 -2.13 -0.28 0.00 0.00 0.00 0.00 61.98 59.61 2edp s VAL 13 Cb -0.17 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2edp s VAL 13 CO 0.06 -0.91 1.74 -2.16 0.00 0.00 0.00 175.10 173.84 2edp s PRO 14 N 0.78 3.18 -0.44 2.72 0.04 -1.26 -2.83 135.00 137.20 2edp s PRO 14 Ca 0.11 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.04 2edp s PRO 14 Cb -0.20 -4.22 0.02 0.00 0.04 0.00 0.00 34.50 30.14 2edp s PRO 14 CO -0.03 -2.05 0.71 0.08 0.04 0.00 0.00 177.00 175.76 2edp s VAL 15 N 7.22 4.74 -0.36 -0.36 1.01 0.31 -4.91 120.40 128.06 2edp s VAL 15 Ca 0.73 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 2edp s VAL 15 Cb -0.18 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2edp s VAL 15 CO 0.30 -0.63 0.18 -1.58 0.00 0.00 0.00 175.10 173.37 2edp s GLN 16 N 3.04 2.87 0.56 2.72 0.74 -1.26 -1.68 119.66 126.65 2edp s GLN 16 Ca 0.26 -1.04 -0.02 0.00 0.05 0.00 0.00 55.36 54.61 2edp s GLN 16 Cb -0.13 -3.66 0.02 0.00 1.10 0.00 0.00 33.01 30.34 2edp s GLN 16 CO 0.20 -0.65 0.82 -0.51 -0.55 0.00 0.00 175.29 174.60 2edp s LEU 17 N 1.54 3.29 -0.16 3.68 1.43 0.22 -4.92 118.68 123.75 2edp s LEU 17 Ca 0.02 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 2edp s LEU 17 Cb -0.19 -3.15 0.05 0.00 0.03 0.00 0.00 46.19 42.93 2edp s LEU 17 CO 0.06 -1.08 0.43 -1.10 0.23 0.00 0.00 176.35 174.89 2edp s GLN 18 N -4.84 0.47 0.00 1.70 -0.21 -1.26 -2.85 119.66 112.68 2edp s GLN 18 Ca 0.54 0.65 0.00 0.00 0.02 0.00 0.00 55.36 56.58 2edp s GLN 18 Cb -0.10 0.17 0.00 0.00 1.00 0.00 0.00 33.01 34.08 2edp s GLN 18 CO 0.41 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 2edp n GLY 19 N 3.23 3.14 0.00 3.09 0.00 0.26 -4.95 105.19 109.96 2edp n GLY 19 Ca -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 2.68 3.28 -0.02 0.00 0.16 -4.66 105.19 106.62 2edp n GLY 20 Ca 0.00 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 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 0.76 -3.94 -2.18 4.61 0.00 -1.26 -4.56 120.51 113.93 2edp n ALA 21 Ca 0.00 -1.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.91 2edp n ALA 21 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 -3.34 4.29 0.09 0.00 0.04 -1.26 -5.10 135.00 129.71 2edp s PRO 22 Ca 0.54 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 2edp s PRO 22 Cb -0.13 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 2edp s PRO 22 CO 0.67 -0.53 1.42 -1.49 0.04 0.00 0.00 177.00 177.10 2edp h TRP 23 N 7.50 0.73 -0.21 0.56 4.06 -1.98 -3.36 115.95 123.24 2edp h TRP 23 Ca -0.40 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.34 2edp h TRP 23 Cb 1.19 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 2edp h TRP 23 CO 0.72 0.92 0.00 0.41 -3.56 0.00 0.00 178.44 176.92 2edp n GLY 24 N 0.12 1.07 3.08 1.49 0.00 -1.26 0.63 105.19 110.31 2edp n GLY 24 Ca -0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.21 0.06 0.30 1.61 -0.12 -1.26 0.45 117.98 116.81 2edp s PHE 25 Ca 0.00 -0.17 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 2edp s PHE 25 Cb 0.00 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 2edp s PHE 25 CO 0.00 -0.26 0.28 0.95 -0.05 0.00 0.00 175.22 176.14 2edp s THR 26 N -1.33 0.00 0.06 -4.49 -4.23 0.55 -4.97 115.64 101.23 2edp s THR 26 Ca -0.14 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2edp s THR 26 Cb -0.08 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 2edp s THR 26 CO 0.01 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.28 2edp s LEU 27 N -3.29 2.41 0.00 4.79 1.43 -1.26 -1.08 118.68 121.68 2edp s LEU 27 Ca 0.38 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2edp s LEU 27 Cb 0.03 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.26 2edp s LEU 27 CO 0.22 -0.43 0.05 2.29 0.23 0.00 0.00 176.35 178.72 2edp n LYS 28 N 0.56 0.95 0.00 1.70 2.85 -1.10 -4.60 118.16 118.51 2edp n LYS 28 Ca -0.17 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.13 2edp n LYS 28 Cb 0.59 0.86 0.00 0.00 -0.65 0.00 0.00 35.03 35.83 2edp n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2edp n GLY 29 N 0.98 3.59 0.00 2.58 0.00 -1.26 -4.03 105.19 107.05 2edp n GLY 29 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.26 0.44 -0.02 0.00 -0.98 -4.60 105.19 102.29 2edp n GLY 30 Ca 0.00 -1.95 0.26 0.00 0.00 0.00 0.00 46.02 44.33 2edp n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2edp h LEU 31 N 0.00 0.25 -0.88 0.99 5.85 -0.90 0.21 115.31 120.83 2edp h LEU 31 Ca 0.00 0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.99 2edp h LEU 31 Cb 0.00 -0.00 -0.13 0.00 0.37 0.00 0.00 40.66 40.89 2edp h LEU 31 CO 0.00 0.07 0.31 -0.33 -0.34 0.00 0.00 178.44 178.15 2edp h GLU 32 N 0.23 0.29 -0.45 1.25 5.08 -1.83 -0.05 114.58 119.09 2edp h GLU 32 Ca 0.52 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.55 2edp h GLU 32 Cb 1.62 -0.06 -0.22 0.00 0.50 0.00 0.00 28.75 30.58 2edp h GLU 32 CO -0.15 0.19 -0.44 0.72 -1.00 0.00 0.00 179.01 178.33 2edp n HIS 33 N -5.14 1.59 -4.37 4.33 8.25 -0.05 -4.95 115.22 114.87 2edp n HIS 33 Ca 0.22 -1.93 -0.34 0.00 -0.26 0.00 0.00 57.72 55.41 2edp n HIS 33 Cb 0.67 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 31.26 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 -7.33 1.56 -0.65 0.00 2.02 -0.53 -4.97 118.70 108.80 2edp s GLU 35 Ca 0.23 -1.27 -0.26 0.00 0.02 0.00 0.00 54.97 53.69 2edp s GLU 35 Cb -0.13 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 2edp s GLU 35 CO 1.01 0.47 1.88 -1.25 0.02 0.00 0.00 175.26 177.38 2edp s PRO 36 N -2.00 2.61 -0.85 0.39 0.04 -1.26 -2.31 135.00 131.62 2edp s PRO 36 Ca 0.15 0.49 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 2edp s PRO 36 Cb -0.10 -4.48 -0.21 0.00 0.04 0.00 0.00 34.50 29.74 2edp s PRO 36 CO 0.07 -2.83 2.38 -0.11 0.04 0.00 0.00 177.00 176.55 2edp n LEU 37 N 12.95 0.47 -4.19 -3.56 7.94 -1.26 -4.67 117.00 124.67 2edp n LEU 37 Ca 0.23 -0.67 -0.22 0.00 -1.11 0.00 0.00 56.01 54.25 2edp n LEU 37 Cb 0.51 -1.12 -0.13 0.00 0.53 0.00 0.00 43.42 43.22 2edp n LEU 37 CO 0.69 -1.67 -0.48 0.42 -1.11 0.00 0.00 177.39 175.24 2edp s THR 38 N 8.20 1.33 -0.26 1.96 -4.23 -1.26 -2.24 115.64 119.14 2edp s THR 38 Ca 1.16 -1.17 -0.39 0.00 -1.18 0.00 0.00 61.69 60.10 2edp s THR 38 Cb -0.61 -1.20 -0.18 0.00 1.34 0.00 0.00 72.50 71.85 2edp s THR 38 CO 0.36 0.00 1.22 0.52 -0.54 0.00 0.00 174.62 176.19 2edp n VAL 39 N 1.67 0.00 -0.09 2.29 0.31 -0.02 -2.73 118.33 119.76 2edp n VAL 39 Ca -0.19 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.92 2edp n VAL 39 Cb 0.54 -0.26 -0.12 0.00 -0.91 0.00 0.00 33.84 33.09 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 2.63 1.92 -3.66 4.52 3.41 -0.24 -2.12 113.62 120.08 2edp n SER 40 Ca 0.23 0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 59.07 2edp n SER 40 Cb -0.00 -0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 62.94 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 -2.42 0.73 -0.21 4.33 2.36 -1.25 -4.88 119.74 118.40 2edp s LYS 41 Ca -0.29 0.65 -0.00 0.00 -2.55 0.00 0.00 55.97 53.78 2edp s LYS 41 Cb 0.07 0.35 0.06 0.00 -1.05 0.00 0.00 37.83 37.26 2edp s LYS 41 CO 0.62 -0.12 -0.04 0.42 1.55 0.00 0.00 175.35 177.77 2edp s ILE 42 N -0.03 1.29 0.15 5.43 1.01 -1.26 -0.33 121.20 127.46 2edp s ILE 42 Ca -0.03 -1.00 -0.34 0.00 0.00 0.00 0.00 60.65 59.29 2edp s ILE 42 Cb -0.04 -1.57 -0.16 0.00 0.01 0.00 0.00 42.46 40.70 2edp s ILE 42 CO 0.02 -0.07 1.19 -0.62 0.00 0.00 0.00 174.94 175.46 2edp n GLU 43 N 4.77 1.12 -2.46 2.79 1.02 0.17 -4.86 120.64 123.19 2edp n GLU 43 Ca -0.12 0.40 -0.43 0.00 -0.02 0.00 0.00 57.16 56.99 2edp n GLU 43 Cb 0.45 -1.92 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 2edp n GLU 43 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2edp s ASP 44 N 0.09 6.56 0.00 1.62 -4.77 -1.26 -3.16 116.67 115.76 2edp s ASP 44 Ca 0.76 0.85 0.00 0.00 -3.30 0.00 0.00 52.55 50.86 2edp s ASP 44 Cb -0.88 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 38.40 2edp s ASP 44 CO 0.51 -1.24 0.00 0.61 0.70 0.00 0.00 175.17 175.75 2edp n GLY 45 N 4.70 1.32 1.03 2.12 0.00 -1.26 -5.09 105.19 108.01 2edp n GLY 45 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.02 0.34 -0.02 0.00 -1.19 -4.44 105.19 96.87 2edp n GLY 46 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.80 -0.87 1.61 1.79 0.03 -0.64 116.57 117.70 2edp h LYS 47 Ca -0.10 0.05 0.23 0.00 -2.18 0.00 0.00 60.65 58.65 2edp h LYS 47 Cb 0.35 0.18 -0.15 0.00 -1.58 0.00 0.00 32.23 31.04 2edp h LYS 47 CO 0.06 -0.48 0.16 0.00 -1.08 0.00 0.00 179.45 178.11 2edp h ALA 48 N -0.77 1.18 -0.33 3.86 0.00 -1.17 0.24 119.26 122.27 2edp h ALA 48 Ca -0.08 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2edp h ALA 48 Cb 0.68 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2edp h ALA 48 CO 0.14 -0.49 -0.17 0.00 0.00 0.00 0.00 179.25 178.74 2edp h ALA 49 N 1.80 0.47 -0.86 0.00 0.00 -1.74 -3.04 119.26 115.90 2edp h ALA 49 Ca 0.54 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2edp h ALA 49 Cb 1.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2edp h ALA 49 CO -0.70 0.39 0.56 -0.07 0.00 0.00 0.00 179.25 179.42 2edp h LEU 50 N 0.47 0.82 -0.85 0.00 3.38 0.10 -1.55 115.31 117.68 2edp h LEU 50 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2edp h LEU 50 Cb 0.70 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2edp h LEU 50 CO 0.05 0.52 0.43 -1.28 0.09 0.00 0.00 178.44 178.24 2edp h SER 51 N 0.92 1.11 -4.54 -0.43 0.87 -0.90 -3.46 113.55 107.12 2edp h SER 51 Ca 0.37 -0.13 -0.41 0.00 -1.23 0.00 0.00 61.79 60.40 2edp h SER 51 Cb 0.26 -0.28 0.07 0.00 -0.44 0.00 0.00 62.40 62.01 2edp h SER 51 CO -0.14 0.92 -0.61 0.00 -0.53 0.00 0.00 176.83 176.46 2edp n GLN 52 N -4.32 -5.12 -0.01 2.24 6.02 -0.58 -4.87 117.38 110.74 2edp n GLN 52 Ca 0.09 0.91 0.02 0.00 -0.01 0.00 0.00 57.00 58.01 2edp n GLN 52 Cb 0.13 -5.78 -0.06 0.00 1.02 0.00 0.00 30.24 25.55 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 -4.10 0.87 -4.21 -1.09 4.76 -1.26 -5.02 118.16 108.12 2edp n LYS 53 Ca -0.11 -0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.11 2edp n LYS 53 Cb 0.62 -1.17 -0.13 0.00 -1.84 0.00 0.00 35.03 32.51 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 -2.42 0.71 0.04 1.97 0.23 -1.26 -4.96 119.30 113.60 2edp s MET 54 Ca -0.03 -0.70 -0.05 0.00 -1.03 0.00 0.00 55.69 53.89 2edp s MET 54 Cb 0.04 -0.64 -0.01 0.00 -1.53 0.00 0.00 34.83 32.69 2edp s MET 54 CO 0.30 0.15 0.08 1.03 -2.03 0.00 0.00 175.02 174.55 2edp s ARG 55 N -1.20 0.59 -0.42 3.16 0.52 -1.26 -4.84 118.95 115.50 2edp s ARG 55 Ca -0.03 -0.80 -0.42 0.00 -0.52 0.00 0.00 55.73 53.97 2edp s ARG 55 Cb -0.08 0.23 -0.17 0.00 0.52 0.00 0.00 34.95 35.45 2edp s ARG 55 CO 0.01 -0.14 1.97 0.25 0.02 0.00 0.00 175.30 177.40 2edp n THR 56 N 0.70 0.11 0.00 0.02 -2.24 -1.26 -1.84 114.28 109.77 2edp n THR 56 Ca -0.19 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2edp n THR 56 Cb 0.59 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 5.93 1.16 3.74 3.38 0.00 -0.90 -4.98 105.19 113.53 2edp n GLY 57 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.41 4.43 -0.30 1.61 1.01 -0.77 -4.66 116.67 117.58 2edp s ASP 58 Ca 0.00 2.12 -0.10 0.00 0.71 0.00 0.00 52.55 55.27 2edp s ASP 58 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2edp s ASP 58 CO 0.00 -2.09 0.17 -0.70 0.21 0.00 0.00 175.17 172.76 2edp s GLU 59 N -4.22 3.55 -0.26 8.23 2.12 -1.22 -0.84 118.70 126.05 2edp s GLU 59 Ca 0.69 -0.58 -0.12 0.00 0.36 0.00 0.00 54.97 55.31 2edp s GLU 59 Cb -0.23 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 2edp s GLU 59 CO 0.47 -0.34 0.25 -1.17 -0.54 0.00 0.00 175.26 173.93 2edp s LEU 60 N 1.67 4.06 0.00 2.70 0.20 -0.95 -1.68 118.68 124.68 2edp s LEU 60 Ca 0.06 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.03 2edp s LEU 60 Cb -0.17 -2.24 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 2edp s LEU 60 CO 0.08 -0.07 0.00 1.33 -0.29 0.00 0.00 176.35 177.40 2edp n VAL 61 N 4.85 0.00 -4.21 1.68 0.24 -1.23 -4.85 118.33 114.81 2edp n VAL 61 Ca -0.12 -0.09 -0.31 0.00 -2.04 0.00 0.00 64.34 61.78 2edp n VAL 61 Cb 0.52 0.54 -0.16 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.48 2.88 -0.09 -1.34 3.84 -1.24 0.04 114.94 117.55 2edp s ASN 62 Ca 0.00 -0.56 0.01 0.00 0.21 0.00 0.00 52.86 52.53 2edp s ASN 62 Cb 0.00 -1.32 0.02 0.00 -0.55 0.00 0.00 41.25 39.40 2edp s ASN 62 CO 0.00 -0.01 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.55 2edp s ILE 63 N 1.25 1.24 -1.19 -5.21 1.01 -0.81 -1.90 121.20 115.59 2edp s ILE 63 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2edp s ILE 63 Cb -0.14 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.17 2edp s ILE 63 CO -0.09 0.39 0.00 0.59 0.00 0.00 0.00 174.94 175.83 2edp n ASN 64 N 4.23 -4.00 0.00 3.58 3.02 0.50 0.18 115.26 122.77 2edp n ASN 64 Ca -0.19 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2edp n ASN 64 Cb 0.51 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 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 -0.71 0.47 3.11 7.41 0.00 -1.20 -4.89 105.19 109.38 2edp n GLY 65 Ca -0.15 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 2.26 -0.51 2.61 2.01 0.13 -5.07 115.64 115.06 2edp s THR 66 Ca 0.00 -1.35 -0.27 0.00 0.31 0.00 0.00 61.69 60.38 2edp s THR 66 Cb 0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2edp s THR 66 CO 0.00 0.16 1.80 -2.16 -0.69 0.00 0.00 174.62 173.73 2edp s PRO 67 N 1.19 2.92 0.90 4.92 0.04 -1.26 -1.92 135.00 141.79 2edp s PRO 67 Ca -0.04 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 2edp s PRO 67 Cb -0.18 -4.30 0.23 0.00 0.04 0.00 0.00 34.50 30.29 2edp s PRO 67 CO -0.07 -2.37 0.76 1.28 0.04 0.00 0.00 177.00 176.64 2edp n LEU 68 N 11.67 0.00 0.00 -3.56 4.77 0.11 -5.02 117.00 124.97 2edp n LEU 68 Ca 0.21 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2edp n LEU 68 Cb 0.50 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2edp n LEU 68 CO 0.70 -1.92 -0.20 -1.22 -1.33 0.00 0.00 177.39 173.42 2edp n TYR 69 N -4.30 0.00 0.00 -1.77 4.01 -1.26 -4.99 117.16 108.85 2edp n TYR 69 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2edp n TYR 69 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.72 1.40 3.44 2.72 0.00 -1.26 -4.98 105.19 108.23 2edp n GLY 70 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -1.43 -0.06 1.61 3.41 -1.26 -0.48 113.62 115.41 2edp n SER 71 Ca 0.00 0.72 -0.02 0.00 -0.26 0.00 0.00 58.87 59.30 2edp n SER 71 Cb 0.00 -1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 62.81 2edp n SER 71 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2edp h ARG 72 N 0.18 0.00 -0.24 4.33 2.43 -1.92 -3.36 114.38 115.79 2edp h ARG 72 Ca -0.45 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.74 2edp h ARG 72 Cb 1.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 2edp h ARG 72 CO 0.46 0.00 -0.14 1.04 -1.51 0.00 0.00 179.97 179.82 2edp n GLN 73 N -4.58 -0.11 -0.31 0.20 3.00 -1.26 0.82 117.38 115.15 2edp n GLN 73 Ca -0.04 0.86 0.09 0.00 -0.01 0.00 0.00 57.00 57.91 2edp n GLN 73 Cb 0.14 -1.28 0.19 0.00 0.00 0.00 0.00 30.24 29.29 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 -3.46 -0.07 0.00 -1.09 2.13 -1.26 0.28 120.64 117.16 2edp n GLU 74 Ca 0.00 1.33 0.00 0.00 0.66 0.00 0.00 57.16 59.15 2edp n GLU 74 Cb 0.06 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 -3.44 -0.20 -0.21 4.31 0.00 0.24 -1.34 120.51 119.87 2edp n ALA 75 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 2edp n ALA 75 Cb 0.56 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.38 -1.47 0.00 3.38 -0.79 0.46 115.31 115.51 2edp h LEU 76 Ca 0.00 0.24 0.31 0.00 0.09 0.00 0.00 57.88 58.53 2edp h LEU 76 Cb 0.00 0.65 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2edp h LEU 76 CO 0.00 -0.32 0.74 0.40 0.09 0.00 0.00 178.44 179.34 2edp h ILE 77 N -0.19 0.42 -0.77 1.22 2.04 -0.23 0.47 117.51 120.46 2edp h ILE 77 Ca 0.20 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 2edp h ILE 77 Cb 0.56 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2edp h ILE 77 CO -0.70 0.05 0.27 0.25 0.00 0.00 0.00 178.15 178.02 2edp h LEU 78 N 0.27 1.10 -0.95 1.44 5.85 0.12 -2.72 115.31 120.42 2edp h LEU 78 Ca 0.64 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 59.12 2edp h LEU 78 Cb 1.84 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2edp h LEU 78 CO -0.28 1.00 0.28 0.40 -0.34 0.00 0.00 178.44 179.51 2edp h ILE 79 N 1.14 1.24 -1.06 4.05 2.04 0.21 -2.57 117.51 122.57 2edp h ILE 79 Ca 0.25 -0.75 0.28 0.00 1.00 0.00 0.00 64.86 65.64 2edp h ILE 79 Cb 0.28 0.40 -0.11 0.00 -0.74 0.00 0.00 36.82 36.65 2edp h ILE 79 CO -0.01 0.30 0.66 0.11 0.00 0.00 0.00 178.15 179.21 2edp h LYS 80 N 1.02 0.39 0.00 2.37 6.56 -1.14 0.81 116.57 126.59 2edp h LYS 80 Ca 0.24 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.76 2edp h LYS 80 Cb 0.19 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2edp h LYS 80 CO -0.02 0.26 -0.22 0.78 -2.06 0.00 0.00 179.45 178.19 2edp h GLY 81 N 0.41 0.00 -2.77 3.86 0.00 -1.53 -3.46 103.07 99.58 2edp h GLY 81 Ca 0.64 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.57 2edp h GLY 81 CO -0.37 0.00 -0.61 -1.14 0.00 0.00 0.00 176.54 174.41 2edp n SER 82 N -3.51 -1.85 0.00 0.19 3.41 0.28 -4.95 113.62 107.19 2edp n SER 82 Ca -0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2edp n SER 82 Cb 0.37 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.66 0.00 0.00 7.33 3.72 -1.26 -4.94 117.46 121.65 2edp n PHE 83 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2edp n PHE 83 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2edp n PHE 83 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2edp n ARG 84 N -1.78 0.81 -5.16 -1.08 1.74 -1.26 -4.42 116.66 105.52 2edp n ARG 84 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2edp n ARG 84 Cb 0.00 -0.67 -0.17 0.00 -1.02 0.00 0.00 32.46 30.60 2edp n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2edp s ILE 85 N -1.34 1.93 0.05 0.55 1.01 -1.26 0.92 121.20 123.06 2edp s ILE 85 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.74 2edp s ILE 85 Cb 0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2edp s ILE 85 CO 0.00 0.53 -0.15 -0.22 0.00 0.00 0.00 174.94 175.11 2edp s LEU 86 N 0.12 2.78 -0.17 2.97 2.96 -1.13 -4.94 118.68 121.27 2edp s LEU 86 Ca -0.11 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2edp s LEU 86 Cb -0.15 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.96 2edp s LEU 86 CO 0.06 0.24 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.74 2edp s LYS 87 N -1.59 1.41 0.05 1.98 1.02 -1.26 -0.61 119.74 120.74 2edp s LYS 87 Ca 0.16 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.66 2edp s LYS 87 Cb -0.11 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2edp s LYS 87 CO 0.07 -0.45 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.42 2edp s LEU 88 N 1.63 2.23 -0.26 3.17 1.43 -0.68 0.19 118.68 126.39 2edp s LEU 88 Ca 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2edp s LEU 88 Cb -0.15 -0.44 0.07 0.00 0.03 0.00 0.00 46.19 45.70 2edp s LEU 88 CO -0.08 -0.07 -0.01 -0.63 0.23 0.00 0.00 176.35 175.79 2edp s ILE 89 N -1.11 1.54 -0.02 -0.59 1.09 -0.80 0.11 121.20 121.42 2edp s ILE 89 Ca -0.03 -1.42 -0.03 0.00 -1.10 0.00 0.00 60.65 58.08 2edp s ILE 89 Cb -0.09 -1.91 -0.04 0.00 -1.06 0.00 0.00 42.46 39.36 2edp s ILE 89 CO 0.01 -0.26 0.15 0.68 -0.10 0.00 0.00 174.94 175.42 2edp s VAL 90 N 1.35 5.28 -0.10 2.92 -7.23 -1.13 -3.53 120.40 117.96 2edp s VAL 90 Ca -0.01 -0.16 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2edp s VAL 90 Cb -0.19 -3.43 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 2edp s VAL 90 CO -0.09 0.38 -0.08 0.00 -0.31 0.00 0.00 175.10 174.99 2edp s ARG 91 N -1.75 3.13 -0.08 4.82 1.70 -0.67 -0.02 118.95 126.07 2edp s ARG 91 Ca 0.24 -0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 54.90 2edp s ARG 91 Cb -0.12 -2.66 0.03 0.00 -0.57 0.00 0.00 34.95 31.62 2edp s ARG 91 CO 0.15 0.43 0.02 -0.98 -1.08 0.00 0.00 175.30 173.85 2edp s ARG 92 N -0.20 0.44 0.04 3.89 1.70 -0.53 -3.41 118.95 120.89 2edp s ARG 92 Ca 0.02 0.11 -0.31 0.00 -0.47 0.00 0.00 55.73 55.08 2edp s ARG 92 Cb -0.13 -1.03 -0.16 0.00 -0.57 0.00 0.00 34.95 33.06 2edp s ARG 92 CO 0.03 -0.36 0.78 0.54 -1.08 0.00 0.00 175.30 175.21 2edp n ARG 93 N 5.18 0.00 -0.04 3.89 1.74 -1.26 -3.21 116.66 122.96 2edp n ARG 93 Ca -0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.97 2edp n ARG 93 Cb 0.50 -1.15 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 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 2.10 -0.03 -3.93 0.55 -0.73 -1.78 -3.46 115.58 108.30 2edp h ASN 94 Ca -0.38 -0.30 -0.48 0.00 1.87 0.00 0.00 56.30 57.01 2edp h ASN 94 Cb 1.20 0.01 0.01 0.00 0.27 0.00 0.00 38.32 39.80 2edp h ASN 94 CO 0.53 0.61 0.24 -0.94 -0.37 0.00 0.00 177.43 177.49 2edp s SER 95 N -5.70 6.59 -0.43 1.15 1.04 -1.26 -5.05 113.70 110.03 2edp s SER 95 Ca -0.06 1.35 0.05 0.00 0.48 0.00 0.00 55.95 57.76 2edp s SER 95 Cb -0.01 -2.41 0.17 0.00 0.10 0.00 0.00 66.02 63.87 2edp s SER 95 CO 0.23 -0.48 0.47 -0.83 0.98 0.00 0.00 173.24 173.61 2edp s GLY 96 N -3.06 0.08 0.32 7.32 0.00 -1.26 -4.98 107.32 105.74 2edp s GLY 96 Ca 0.55 -1.40 0.11 0.00 0.00 0.00 0.00 44.72 43.99 2edp s GLY 96 CO 0.30 2.78 1.72 -0.56 0.00 0.00 0.00 173.10 177.35 2edp h PRO 97 N 5.86 0.02 -6.00 2.90 0.13 -2.03 -3.44 132.00 129.43 2edp h PRO 97 Ca 0.14 -0.01 -0.78 0.00 -0.87 0.00 0.00 66.00 64.48 2edp h PRO 97 Cb 1.01 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 2edp h PRO 97 CO 0.21 0.50 1.23 0.45 -0.23 0.00 0.00 178.00 180.15 2edp n SER 98 N -3.96 0.85 -4.91 1.44 2.88 -1.26 -4.91 113.62 103.74 2edp n SER 98 Ca -0.02 0.75 -0.21 0.00 -1.33 0.00 0.00 58.87 58.07 2edp n SER 98 Cb 0.50 -0.90 0.07 0.00 -0.75 0.00 0.00 64.21 63.13 2edp n SER 98 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2edp s SER 99 N 5.57 4.88 0.00 -3.46 1.04 -1.26 -5.29 113.70 115.17 2edp s SER 99 Ca 1.18 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.97 2edp s SER 99 Cb -1.49 0.14 0.02 0.00 0.10 0.00 0.00 66.02 64.80 2edp s SER 99 CO 0.68 -1.49 0.59 0.61 0.98 0.00 0.00 173.24 174.62