#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mda s THR 4 N 0.00 -0.01 -0.08 0.00 -4.23 -1.10 -4.78 115.64 105.43 1mda s THR 4 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1mda s THR 4 Cb 0.00 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.37 1mda s THR 4 CO 0.00 0.01 0.03 0.00 -0.54 0.00 0.00 174.62 174.12 1mda n ILE 5 N 3.22 -5.55 -4.08 2.99 3.06 -1.25 -2.26 119.36 115.49 1mda n ILE 5 Ca -0.16 0.70 -0.15 0.00 -2.50 0.00 0.00 62.75 60.65 1mda n ILE 5 Cb 0.57 -4.74 -0.04 0.00 0.54 0.00 0.00 39.64 35.97 1mda n ILE 5 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1mda s PRO 6 N -0.67 1.95 0.00 9.51 0.02 -1.26 -4.41 135.00 140.15 1mda s PRO 6 Ca -0.04 -1.77 0.00 0.00 0.02 0.00 0.00 61.00 59.22 1mda s PRO 6 Cb 0.00 0.45 0.00 0.00 0.02 0.00 0.00 34.50 34.98 1mda s PRO 6 CO 0.25 -0.82 0.00 0.43 -0.33 0.00 0.00 177.00 176.53 1mda n SER 7 N -1.47 0.00 0.00 2.53 7.64 -1.09 -4.56 113.62 116.68 1mda n SER 7 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1mda n SER 7 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1mda n SER 7 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mda n GLU 8 N 0.00 0.00 0.00 1.43 1.02 -1.26 -3.36 120.64 118.47 1mda n GLU 8 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mda n GLU 8 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 1mda n GLU 8 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1mda n SER 9 N -0.68 -0.36 -4.57 1.62 7.64 -1.26 -4.40 113.62 111.60 1mda n SER 9 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1mda n SER 9 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1mda n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mda s PRO 10 N 0.00 1.48 -0.42 1.43 0.04 -1.26 -4.98 135.00 131.29 1mda s PRO 10 Ca 0.00 -0.77 0.05 0.00 0.04 0.00 0.00 61.00 60.32 1mda s PRO 10 Cb 0.00 -2.17 0.18 0.00 0.04 0.00 0.00 34.50 32.55 1mda s PRO 10 CO 0.00 -1.67 0.40 1.19 0.04 0.00 0.00 177.00 176.96 1mda n PHE 11 N -3.10 -1.21 -0.52 0.56 3.01 -1.25 -2.80 117.46 112.14 1mda n PHE 11 Ca 0.14 -3.11 0.00 0.00 1.01 0.00 0.00 57.45 55.48 1mda n PHE 11 Cb 0.60 0.35 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 1mda n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mda n ALA 12 N 2.70 -2.57 0.00 4.37 0.00 2.67 -4.84 120.51 122.84 1mda n ALA 12 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1mda n ALA 12 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1mda n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 13 N 0.43 0.00 -2.03 0.00 0.00 -1.26 -4.66 120.51 113.00 1mda n ALA 13 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1mda n ALA 13 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1mda n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 14 N 0.00 2.83 -2.81 0.00 0.00 -1.26 -0.40 120.51 118.87 1mda n ALA 14 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1mda n ALA 14 Cb 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1mda n ALA 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1mda s GLU 15 N 0.00 3.60 0.00 0.00 8.01 -1.26 -4.95 118.70 124.11 1mda s GLU 15 Ca 0.02 -0.36 0.00 0.00 0.01 0.00 0.00 54.97 54.64 1mda s GLU 15 Cb 0.02 -3.05 0.00 0.00 -4.31 0.00 0.00 34.13 26.79 1mda s GLU 15 CO -0.01 0.45 0.00 0.28 0.01 0.00 0.00 175.26 175.99 1mda n VAL 16 N 2.96 0.00 0.00 2.63 0.31 -1.26 -5.04 118.33 117.94 1mda n VAL 16 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1mda n VAL 16 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1mda n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mda n ALA 17 N -3.00 0.00 -1.00 3.52 0.00 -1.26 -5.00 120.51 113.77 1mda n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mda n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mda n ALA 17 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mda n ASP 18 N 0.00 0.00 -4.47 0.00 5.75 -1.26 -4.85 116.55 111.72 1mda n ASP 18 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 54.79 54.31 1mda n ASP 18 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1mda n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mda n GLY 19 N 1.84 -1.16 0.00 6.12 0.00 -1.26 -4.96 105.19 105.78 1mda n GLY 19 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1mda n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 20 N 0.20 0.00 -0.42 4.61 0.00 -1.26 -5.00 120.51 118.63 1mda n ALA 20 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1mda n ALA 20 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1mda n ALA 20 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1mda n ILE 21 N 0.00 -0.56 -3.26 0.00 2.08 -1.26 -4.87 119.36 111.48 1mda n ILE 21 Ca 0.00 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 1mda n ILE 21 Cb 0.00 -1.13 -0.05 0.00 -0.75 0.00 0.00 39.64 37.72 1mda n ILE 21 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1mda s VAL 22 N -0.24 -0.77 0.54 1.39 -7.23 -1.26 0.00 120.40 112.83 1mda s VAL 22 Ca 0.00 -0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.90 1mda s VAL 22 Cb 0.00 -0.91 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 1mda s VAL 22 CO 0.00 -0.09 1.10 1.33 -0.31 0.00 0.00 175.10 177.13 1mda n VAL 23 N 5.39 3.41 0.00 1.32 0.24 -0.37 -4.87 118.33 123.45 1mda n VAL 23 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1mda n VAL 23 Cb 0.51 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1mda n VAL 23 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1mda n ASP 24 N -0.51 0.00 0.00 -1.34 -0.08 -1.26 -3.61 116.55 109.75 1mda n ASP 24 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1mda n ASP 24 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1mda n ASP 24 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1mda n ILE 25 N 0.00 0.00 -0.72 5.18 2.08 -1.25 -3.59 119.36 121.06 1mda n ILE 25 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1mda n ILE 25 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1mda n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mda n ALA 26 N -1.03 0.00 -2.26 -1.39 0.00 -1.26 -4.05 120.51 110.52 1mda n ALA 26 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1mda n ALA 26 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1mda n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mda n LYS 27 N -0.89 -1.96 -4.06 0.00 5.02 -1.26 0.13 118.16 115.14 1mda n LYS 27 Ca 0.00 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1mda n LYS 27 Cb 0.00 -3.06 -0.01 0.00 -0.02 0.00 0.00 35.03 31.95 1mda n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1mda n MET 28 N -1.98 -0.86 -2.99 1.97 2.81 -1.26 -4.93 117.12 109.89 1mda n MET 28 Ca 0.02 0.17 0.04 0.00 -1.81 0.00 0.00 57.70 56.12 1mda n MET 28 Cb 0.33 -3.21 0.00 0.00 -0.71 0.00 0.00 33.22 29.63 1mda n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mda s LYS 29 N -7.12 0.16 0.00 0.03 0.00 0.34 -4.69 119.74 108.46 1mda s LYS 29 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 55.97 56.35 1mda s LYS 29 Cb -0.17 0.04 0.00 0.00 0.00 0.00 0.00 37.83 37.71 1mda s LYS 29 CO 0.95 -0.27 0.00 0.66 0.00 0.00 0.00 175.35 176.69 1mda n TYR 30 N 4.48 0.00 -0.71 1.78 4.01 -1.26 -4.71 117.16 120.75 1mda n TYR 30 Ca 0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.50 1mda n TYR 30 Cb 0.60 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.79 1mda n TYR 30 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1mda n GLU 31 N 0.00 -0.75 -4.00 -0.72 1.02 -1.26 -2.69 120.64 112.25 1mda n GLU 31 Ca 0.00 -0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 56.68 1mda n GLU 31 Cb 0.00 -2.00 -0.06 0.00 -0.02 0.00 0.00 31.44 29.37 1mda n GLU 31 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1mda n THR 32 N -4.03 -1.12 0.27 2.62 -1.04 -1.26 -4.39 114.28 105.33 1mda n THR 32 Ca 0.07 -0.43 -0.18 0.00 -2.04 0.00 0.00 64.05 61.47 1mda n THR 32 Cb 0.55 -1.05 -0.10 0.00 -1.82 0.00 0.00 70.33 67.91 1mda n THR 32 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1mda h PRO 33 N -1.36 -0.93 -6.35 -2.82 0.13 -1.83 -3.36 132.00 115.47 1mda h PRO 33 Ca -0.55 0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1mda h PRO 33 Cb 1.15 0.21 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1mda h PRO 33 CO 0.54 -0.62 0.86 -2.00 -0.23 0.00 0.00 178.00 176.55 1mda s GLU 34 N -5.79 4.03 -0.08 0.86 2.12 -1.26 -2.96 118.70 115.62 1mda s GLU 34 Ca -0.17 1.03 -0.14 0.00 0.36 0.00 0.00 54.97 56.04 1mda s GLU 34 Cb 0.04 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.71 1mda s GLU 34 CO 0.59 -0.95 0.35 -0.48 -0.54 0.00 0.00 175.26 174.24 1mda s LEU 35 N 3.74 0.67 0.13 2.70 -0.00 -1.03 -5.00 118.68 119.88 1mda s LEU 35 Ca 0.46 0.45 0.03 0.00 -0.00 0.00 0.00 54.13 55.06 1mda s LEU 35 Cb -0.12 1.31 -0.04 0.00 -0.00 0.00 0.00 46.19 47.35 1mda s LEU 35 CO 0.17 -0.29 0.22 -1.00 -0.00 0.00 0.00 176.35 175.45 1mda s HIS 36 N -0.54 3.37 0.16 3.48 3.76 -1.26 -2.13 115.29 122.14 1mda s HIS 36 Ca -0.06 0.10 -0.23 0.00 -0.15 0.00 0.00 55.06 54.71 1mda s HIS 36 Cb -0.04 -1.63 0.07 0.00 1.11 0.00 0.00 32.58 32.09 1mda s HIS 36 CO 0.03 0.53 0.61 0.54 -0.85 0.00 0.00 174.74 175.59 1mda s VAL 37 N -1.68 0.00 0.55 -0.90 0.11 -0.75 -4.95 120.40 112.78 1mda s VAL 37 Ca 0.33 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.29 1mda s VAL 37 Cb -0.11 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1mda s VAL 37 CO 0.26 0.00 0.87 -1.59 -3.33 0.00 0.00 175.10 171.31 1mda s LYS 38 N -3.75 3.27 0.44 1.54 -2.85 -1.26 -1.00 119.74 116.14 1mda s LYS 38 Ca 0.01 0.18 -0.07 0.00 -1.00 0.00 0.00 55.97 55.09 1mda s LYS 38 Cb -0.01 -2.29 0.11 0.00 -2.06 0.00 0.00 37.83 33.58 1mda s LYS 38 CO -0.12 -0.48 0.31 1.33 0.10 0.00 0.00 175.35 176.49 1mda n VAL 39 N -2.47 0.00 -3.23 1.79 0.24 -1.21 -4.41 118.33 109.04 1mda n VAL 39 Ca 0.03 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1mda n VAL 39 Cb 0.56 -0.64 0.01 0.00 -1.47 0.00 0.00 33.84 32.30 1mda n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mda n GLY 40 N -1.03 0.07 0.00 7.63 0.00 0.41 -4.93 105.19 107.34 1mda n GLY 40 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1mda n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mda n ASP 41 N 0.80 0.00 0.00 1.61 9.92 -0.86 -4.83 116.55 123.19 1mda n ASP 41 Ca -0.03 -0.45 0.00 0.00 -0.53 0.00 0.00 54.79 53.78 1mda n ASP 41 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 1mda n ASP 41 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1mda n THR 42 N 0.00 0.00 -3.48 -3.53 5.66 -1.24 -1.99 114.28 109.70 1mda n THR 42 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1mda n THR 42 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1mda n THR 42 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1mda s VAL 43 N 0.00 5.09 -0.21 1.08 -7.23 0.89 -4.77 120.40 115.26 1mda s VAL 43 Ca 0.00 0.82 -0.14 0.00 -1.81 0.00 0.00 61.98 60.85 1mda s VAL 43 Cb 0.00 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1mda s VAL 43 CO 0.00 0.51 0.30 -0.89 -0.31 0.00 0.00 175.10 174.71 1mda s THR 44 N -0.61 5.27 0.00 5.32 2.01 0.10 -1.82 115.64 125.92 1mda s THR 44 Ca 0.23 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.70 1mda s THR 44 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1mda s THR 44 CO 0.12 0.30 0.19 0.26 -0.69 0.00 0.00 174.62 174.79 1mda s TRP 45 N 1.13 3.54 -0.28 4.92 0.51 0.06 -1.23 118.94 127.59 1mda s TRP 45 Ca 0.14 0.34 -0.11 0.00 -2.12 0.00 0.00 56.10 54.35 1mda s TRP 45 Cb -0.14 -1.82 0.11 0.00 -0.81 0.00 0.00 33.47 30.81 1mda s TRP 45 CO 0.06 0.64 0.63 -1.50 -0.51 0.00 0.00 176.95 176.27 1mda s ILE 46 N -1.36 -0.67 -0.21 2.03 2.07 -1.24 -1.33 121.20 120.49 1mda s ILE 46 Ca 0.29 0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.25 1mda s ILE 46 Cb -0.13 -0.96 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 1mda s ILE 46 CO 0.20 0.01 1.72 0.21 -1.91 0.00 0.00 174.94 175.17 1mda s ASN 47 N 2.49 6.24 0.01 4.50 3.84 0.96 -3.96 114.94 129.02 1mda s ASN 47 Ca -0.07 1.69 0.22 0.00 0.21 0.00 0.00 52.86 54.91 1mda s ASN 47 Cb -0.10 -2.53 -0.06 0.00 -0.55 0.00 0.00 41.25 38.01 1mda s ASN 47 CO -0.19 -1.36 0.96 -1.14 -2.79 0.00 0.00 177.10 172.58 1mda n ARG 48 N 7.85 0.15 -2.15 0.43 3.00 -1.26 -2.53 116.66 122.15 1mda n ARG 48 Ca 0.20 -0.02 -0.32 0.00 -0.00 0.00 0.00 57.85 57.71 1mda n ARG 48 Cb 0.45 -1.53 -0.01 0.00 0.00 0.00 0.00 32.46 31.37 1mda n ARG 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mda s GLU 49 N -3.11 3.76 -0.91 -0.14 2.02 -1.26 -4.93 118.70 114.12 1mda s GLU 49 Ca 0.05 0.88 -0.04 0.00 0.02 0.00 0.00 54.97 55.88 1mda s GLU 49 Cb 0.16 -2.11 0.13 0.00 0.10 0.00 0.00 34.13 32.40 1mda s GLU 49 CO 0.83 -0.43 2.48 0.00 0.02 0.00 0.00 175.26 178.16 1mda n ALA 50 N -2.11 6.59 0.00 5.21 0.00 -1.26 -4.50 120.51 124.44 1mda n ALA 50 Ca 0.06 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.80 1mda n ALA 50 Cb 0.54 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1mda n ALA 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1mda n MET 51 N 1.10 0.00 -0.87 0.00 0.00 -1.26 -5.14 117.12 110.95 1mda n MET 51 Ca 0.55 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.97 1mda n MET 51 Cb 0.37 0.00 0.21 0.00 0.00 0.00 0.00 33.22 33.80 1mda n MET 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1mda s PRO 52 N 0.00 -0.12 0.25 2.12 0.04 -1.26 -4.75 135.00 131.28 1mda s PRO 52 Ca 0.00 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 1mda s PRO 52 Cb 0.00 -1.66 0.06 0.00 0.04 0.00 0.00 34.50 32.94 1mda s PRO 52 CO 0.00 -3.15 0.91 -1.01 0.04 0.00 0.00 177.00 173.79 1mda s HIS 53 N -2.72 0.01 0.28 0.56 3.76 -1.26 -4.93 115.29 110.98 1mda s HIS 53 Ca 0.67 -0.48 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1mda s HIS 53 Cb -0.22 0.73 -0.02 0.00 1.11 0.00 0.00 32.58 34.19 1mda s HIS 53 CO 0.61 -1.13 0.36 0.54 -0.85 0.00 0.00 174.74 174.27 1mda s ASN 54 N -3.15 0.54 -0.33 1.40 4.22 -1.22 -3.32 114.94 113.09 1mda s ASN 54 Ca 0.17 -1.35 0.01 0.00 -2.14 0.00 0.00 52.86 49.54 1mda s ASN 54 Cb -0.03 0.55 0.10 0.00 1.28 0.00 0.00 41.25 43.15 1mda s ASN 54 CO 0.07 -1.10 0.09 0.54 -2.04 0.00 0.00 177.10 174.66 1mda s VAL 55 N -3.66 1.37 -0.23 3.54 0.11 -1.25 -4.11 120.40 116.17 1mda s VAL 55 Ca 0.32 -1.79 -0.04 0.00 -2.93 0.00 0.00 61.98 57.54 1mda s VAL 55 Cb 0.02 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.84 1mda s VAL 55 CO 0.16 -0.67 -0.02 -2.28 -3.33 0.00 0.00 175.10 168.96 1mda s HIS 56 N 1.29 2.98 0.00 1.54 5.04 0.52 -3.60 115.29 123.07 1mda s HIS 56 Ca 0.11 -0.86 0.00 0.00 -1.54 0.00 0.00 55.06 52.77 1mda s HIS 56 Cb -0.18 -2.13 0.00 0.00 0.04 0.00 0.00 32.58 30.31 1mda s HIS 56 CO -0.18 -0.52 0.00 1.19 -2.34 0.00 0.00 174.74 172.89 1mda n PHE 57 N 4.82 0.00 0.00 3.88 3.01 -1.22 0.49 117.46 128.43 1mda n PHE 57 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1mda n PHE 57 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1mda n PHE 57 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1mda n VAL 58 N 0.00 0.00 -2.67 -4.37 0.31 -1.26 -4.26 118.33 106.09 1mda n VAL 58 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1mda n VAL 58 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1mda n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mda n ALA 59 N -3.00 -2.20 -1.48 3.52 0.00 -1.26 -4.50 120.51 111.58 1mda n ALA 59 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1mda n ALA 59 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1mda n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mda n GLY 60 N -0.21 0.74 2.82 0.00 0.00 -1.26 -4.86 105.19 102.41 1mda n GLY 60 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1mda n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mda s VAL 61 N 0.00 -0.31 0.00 1.61 -7.23 -1.26 -4.70 120.40 108.50 1mda s VAL 61 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 1mda s VAL 61 Cb 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1mda s VAL 61 CO 0.00 -0.03 0.00 -0.11 -0.31 0.00 0.00 175.10 174.65 1mda n LEU 62 N 5.33 0.00 0.00 1.32 0.00 -1.26 -4.47 117.00 117.91 1mda n LEU 62 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.96 1mda n LEU 62 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1mda n LEU 62 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.06 1mda n GLY 63 N -0.80 0.11 0.00 -3.96 0.00 -0.96 -2.72 105.19 96.86 1mda n GLY 63 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1mda n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mda n GLU 64 N 0.00 1.25 0.00 1.61 1.02 -1.26 -4.63 120.64 118.63 1mda n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mda n GLU 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1mda n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mda n ALA 65 N -3.00 0.00 0.00 0.62 0.00 -1.26 -4.62 120.51 112.25 1mda n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mda n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mda n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 66 N 9.09 0.00 -1.22 0.00 0.00 -1.26 -4.46 120.51 122.66 1mda n ALA 66 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1mda n ALA 66 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1mda n ALA 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1mda n LEU 67 N 0.00 -0.36 -0.06 0.00 7.94 -1.26 -4.78 117.00 118.48 1mda n LEU 67 Ca 0.00 0.96 -0.03 0.00 -1.11 0.00 0.00 56.01 55.82 1mda n LEU 67 Cb 0.00 -0.77 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1mda n LEU 67 CO 0.00 -1.89 -0.17 0.11 -1.11 0.00 0.00 177.39 174.33 1mda h LYS 68 N 1.93 0.00 -0.11 1.96 1.57 -1.93 -3.23 116.57 116.75 1mda h LYS 68 Ca -0.36 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1mda h LYS 68 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1mda h LYS 68 CO 0.52 0.06 -0.04 0.41 -0.57 0.00 0.00 179.45 179.83 1mda n GLY 69 N 1.69 -2.71 0.00 3.86 0.00 -1.24 -1.23 105.19 105.55 1mda n GLY 69 Ca -0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1mda n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mda n PRO 70 N -1.88 3.62 -3.83 1.61 -0.04 -1.26 -4.57 135.00 128.64 1mda n PRO 70 Ca -0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1mda n PRO 70 Cb 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.49 1mda n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mda s MET 71 N 3.88 1.55 0.00 0.54 0.23 -1.21 -3.38 119.30 120.91 1mda s MET 71 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 53.70 1mda s MET 71 Cb 0.00 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 1mda s MET 71 CO 0.00 -0.72 0.00 -0.12 -2.03 0.00 0.00 175.02 172.15 1mda n MET 72 N -0.59 0.00 0.00 3.16 0.00 -1.25 -4.91 117.12 113.54 1mda n MET 72 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.65 1mda n MET 72 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 1mda n MET 72 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1mda n LYS 73 N 0.00 0.00 -1.04 2.12 2.85 -1.26 -4.45 118.16 116.37 1mda n LYS 73 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1mda n LYS 73 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1mda n LYS 73 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1mda n LYS 74 N 0.00 -1.50 0.00 -1.58 4.81 -1.26 -1.67 118.16 116.96 1mda n LYS 74 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1mda n LYS 74 Cb 0.00 -4.49 0.00 0.00 0.02 0.00 0.00 35.03 30.56 1mda n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mda n GLU 75 N -0.95 0.00 -1.45 1.64 -0.58 -1.05 -4.99 120.64 113.25 1mda n GLU 75 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1mda n GLU 75 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 1mda n GLU 75 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1mda n GLN 76 N 0.00 -2.50 -4.04 3.49 6.02 -0.67 -0.03 117.38 119.65 1mda n GLN 76 Ca 0.00 1.85 -0.11 0.00 -0.01 0.00 0.00 57.00 58.73 1mda n GLN 76 Cb 0.00 -2.32 -0.11 0.00 1.02 0.00 0.00 30.24 28.82 1mda n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mda s ALA 77 N -2.83 0.45 -0.10 -1.58 0.00 0.47 -1.81 121.76 116.36 1mda s ALA 77 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1mda s ALA 77 Cb 0.00 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.27 1mda s ALA 77 CO 0.00 -0.10 0.20 -0.47 0.00 0.00 0.00 175.76 175.39 1mda s TYR 78 N -1.71 -0.27 -0.06 0.00 5.04 -0.44 0.62 117.35 120.52 1mda s TYR 78 Ca -0.09 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1mda s TYR 78 Cb -0.08 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.03 1mda s TYR 78 CO -0.01 -0.31 -0.06 -1.54 -1.34 0.00 0.00 175.55 172.30 1mda s SER 79 N 2.34 4.72 -0.03 4.32 1.04 -1.12 -0.76 113.70 124.22 1mda s SER 79 Ca 0.02 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.44 1mda s SER 79 Cb -0.12 -1.20 0.03 0.00 0.10 0.00 0.00 66.02 64.83 1mda s SER 79 CO -0.07 0.36 0.03 -1.48 0.98 0.00 0.00 173.24 173.06 1mda s LEU 80 N -0.89 0.84 0.36 2.42 2.34 -0.75 -4.60 118.68 118.41 1mda s LEU 80 Ca 0.13 0.04 -0.04 0.00 0.06 0.00 0.00 54.13 54.32 1mda s LEU 80 Cb -0.11 -0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.37 1mda s LEU 80 CO 0.02 -0.16 0.63 0.28 -1.06 0.00 0.00 176.35 176.06 1mda s THR 81 N 1.35 5.00 0.07 5.48 -1.32 -1.21 -0.07 115.64 124.94 1mda s THR 81 Ca -0.05 -0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.42 1mda s THR 81 Cb -0.13 -3.80 -0.03 0.00 -1.51 0.00 0.00 72.50 67.03 1mda s THR 81 CO -0.03 -0.54 -0.07 -0.36 -2.21 0.00 0.00 174.62 171.41 1mda s PHE 82 N -2.34 0.77 0.00 9.09 0.40 -0.84 -2.67 117.98 122.40 1mda s PHE 82 Ca 0.44 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1mda s PHE 82 Cb -0.10 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 42.97 1mda s PHE 82 CO 0.35 -0.12 0.00 0.25 0.70 0.00 0.00 175.22 176.41 1mda n THR 83 N 0.75 0.00 -1.38 0.64 -2.24 -1.26 0.15 114.28 110.94 1mda n THR 83 Ca -0.18 0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 1mda n THR 83 Cb 0.58 -1.08 0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1mda n THR 83 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mda s GLU 84 N -0.59 2.39 0.40 -0.78 2.02 -1.26 -4.09 118.70 116.78 1mda s GLU 84 Ca 0.00 1.22 -0.08 0.00 0.02 0.00 0.00 54.97 56.13 1mda s GLU 84 Cb 0.00 -1.91 -0.06 0.00 0.10 0.00 0.00 34.13 32.27 1mda s GLU 84 CO 0.00 -1.55 0.73 0.00 0.02 0.00 0.00 175.26 174.46 1mda s ALA 85 N -2.76 3.42 0.00 5.21 0.00 -1.26 -4.86 121.76 121.50 1mda s ALA 85 Ca 0.63 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1mda s ALA 85 Cb -0.18 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1mda s ALA 85 CO 0.52 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1mda n GLY 86 N -1.43 0.59 3.00 0.00 0.00 -1.05 -4.97 105.19 101.33 1mda n GLY 86 Ca 0.01 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 1mda n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mda s THR 87 N -2.02 1.56 0.20 2.61 -1.32 -1.26 -0.88 115.64 114.53 1mda s THR 87 Ca 0.00 -0.75 -0.15 0.00 -1.21 0.00 0.00 61.69 59.58 1mda s THR 87 Cb 0.00 -1.54 -0.08 0.00 -1.51 0.00 0.00 72.50 69.38 1mda s THR 87 CO 0.00 0.34 0.62 -0.31 -2.21 0.00 0.00 174.62 173.06 1mda s TYR 88 N 1.47 3.57 -0.09 9.09 1.51 0.20 -4.92 117.35 128.18 1mda s TYR 88 Ca 0.03 1.14 -0.01 0.00 -1.01 0.00 0.00 57.07 57.22 1mda s TYR 88 Cb -0.14 -2.44 0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1mda s TYR 88 CO -0.10 0.35 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.16 1mda s ASP 89 N -1.84 1.85 0.36 2.29 1.01 -1.26 0.57 116.67 119.65 1mda s ASP 89 Ca 0.42 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.55 1mda s ASP 89 Cb -0.14 -0.60 -0.07 0.00 1.01 0.00 0.00 42.92 43.12 1mda s ASP 89 CO 0.20 -0.17 0.03 -0.72 0.21 0.00 0.00 175.17 174.72 1mda s TYR 90 N 1.87 2.19 0.21 4.23 1.13 0.13 -4.08 117.35 123.03 1mda s TYR 90 Ca 0.05 -0.82 -0.19 0.00 -1.41 0.00 0.00 57.07 54.70 1mda s TYR 90 Cb -0.12 -1.48 0.03 0.00 -1.10 0.00 0.00 41.96 39.29 1mda s TYR 90 CO -0.06 0.21 0.57 -3.38 -2.51 0.00 0.00 175.55 170.37 1mda s HIS 91 N -3.04 -0.18 -0.32 -3.49 -3.43 0.18 -1.48 115.29 103.52 1mda s HIS 91 Ca 0.36 -0.17 -0.17 0.00 -0.80 0.00 0.00 55.06 54.28 1mda s HIS 91 Cb 0.09 0.46 -0.01 0.00 -1.43 0.00 0.00 32.58 31.69 1mda s HIS 91 CO 0.16 -0.96 0.48 0.00 -2.00 0.00 0.00 174.74 172.42 1mda h THR 93 N 5.54 0.09 0.00 0.00 1.03 -1.89 -2.16 112.91 115.52 1mda h THR 93 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1mda h THR 93 Cb 1.13 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1mda h THR 93 CO 0.74 0.00 0.15 -0.81 -0.01 0.00 0.00 175.52 175.59 1mda n PRO 94 N -5.49 0.00 -3.03 0.00 -0.04 -1.26 -2.62 135.00 122.56 1mda n PRO 94 Ca -0.09 0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1mda n PRO 94 Cb 0.40 -1.65 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1mda n PRO 94 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1mda s HIS 95 N -2.45 -1.55 -1.23 0.54 3.76 -1.02 -4.99 115.29 108.35 1mda s HIS 95 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1mda s HIS 95 Cb 0.00 0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1mda s HIS 95 CO 0.00 -1.10 0.66 -0.35 -0.85 0.00 0.00 174.74 173.10 1mda n PRO 96 N 3.89 0.00 0.08 8.40 -0.04 -0.84 -3.56 135.00 142.93 1mda n PRO 96 Ca 0.12 0.21 -0.03 0.00 -0.04 0.00 0.00 63.50 63.76 1mda n PRO 96 Cb 0.58 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1mda n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1mda h PHE 97 N 0.00 -0.21 -2.53 0.54 -5.15 -1.90 -3.42 116.94 104.28 1mda h PHE 97 Ca 0.00 -0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.23 1mda h PHE 97 Cb 0.09 0.07 0.01 0.00 0.22 0.00 0.00 35.95 36.34 1mda h PHE 97 CO 0.00 -0.13 1.13 0.00 -2.00 0.00 0.00 178.31 177.31 1mda s MET 98 N -2.80 4.17 0.16 6.09 0.23 -1.23 -4.88 119.30 121.03 1mda s MET 98 Ca -0.03 2.41 0.05 0.00 -1.03 0.00 0.00 55.69 57.10 1mda s MET 98 Cb 0.00 -3.94 -0.04 0.00 -1.53 0.00 0.00 34.83 29.32 1mda s MET 98 CO 0.10 -0.86 -0.12 -0.98 -2.03 0.00 0.00 175.02 171.13 1mda s ARG 99 N 3.79 1.12 0.07 3.16 1.70 -1.26 -2.37 118.95 125.16 1mda s ARG 99 Ca 0.80 -1.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.56 1mda s ARG 99 Cb -0.39 -0.78 -0.03 0.00 -0.57 0.00 0.00 34.95 33.18 1mda s ARG 99 CO 0.35 0.11 0.04 0.20 -1.08 0.00 0.00 175.30 174.93 1mda s GLY 100 N -3.14 0.44 -0.11 3.88 0.00 -0.55 -4.80 107.32 103.04 1mda s GLY 100 Ca 0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 1mda s GLY 100 CO 0.02 -1.18 0.22 1.25 0.00 0.00 0.00 173.10 173.41 1mda s LYS 101 N -3.92 0.10 -0.12 2.90 2.20 -1.16 -0.69 119.74 119.05 1mda s LYS 101 Ca 0.09 0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 56.32 1mda s LYS 101 Cb 0.07 -0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1mda s LYS 101 CO -0.09 -0.29 0.02 0.08 -0.36 0.00 0.00 175.35 174.72 1mda s VAL 102 N 2.32 4.47 -0.37 4.02 1.01 0.19 -2.47 120.40 129.58 1mda s VAL 102 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1mda s VAL 102 Cb -0.12 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.38 1mda s VAL 102 CO -0.07 0.56 0.16 -0.69 0.00 0.00 0.00 175.10 175.05 1mda s VAL 103 N -0.42 3.94 -0.55 2.92 1.01 -0.90 0.61 120.40 127.01 1mda s VAL 103 Ca 0.08 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 1mda s VAL 103 Cb -0.12 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1mda s VAL 103 CO 0.02 -0.29 0.88 -0.69 0.00 0.00 0.00 175.10 175.02 1mda s VAL 104 N 1.41 4.48 -2.54 2.92 1.01 -0.05 -1.81 120.40 125.82 1mda s VAL 104 Ca 0.00 0.12 0.20 0.00 0.00 0.00 0.00 61.98 62.31 1mda s VAL 104 Cb -0.21 -4.50 0.16 0.00 0.00 0.00 0.00 36.38 31.84 1mda s VAL 104 CO 0.03 -1.07 1.14 -1.84 0.00 0.00 0.00 175.10 173.36