#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab s LYS 2 N 0.00 2.66 0.00 1.61 1.02 -1.26 -3.83 119.74 119.93 1aab s LYS 2 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1aab s LYS 2 Cb 0.00 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 1aab s LYS 2 CO 0.00 -3.20 0.00 0.41 -0.92 0.00 0.00 175.35 171.64 1aab n GLY 3 N 6.73 -1.80 3.75 -3.33 0.00 -1.26 -5.14 105.19 104.14 1aab n GLY 3 Ca 0.37 0.62 -0.33 0.00 0.00 0.00 0.00 46.02 46.68 1aab n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aab s ASP 4 N -0.31 4.65 0.00 1.61 1.11 -1.25 -5.00 116.67 117.48 1aab s ASP 4 Ca 0.00 2.16 0.00 0.00 0.18 0.00 0.00 52.55 54.89 1aab s ASP 4 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1aab s ASP 4 CO 0.00 -1.95 0.25 -0.81 1.18 0.00 0.00 175.17 173.84 1aab n PRO 5 N -2.60 0.00 -2.81 8.23 -0.04 -1.26 -4.66 135.00 131.86 1aab n PRO 5 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1aab n PRO 5 Cb 0.51 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 6 N -0.26 1.69 -2.41 0.54 5.02 -1.26 -5.06 118.16 116.43 1aab n LYS 6 Ca 0.00 -3.67 -0.41 0.00 -2.02 0.00 0.00 58.31 52.21 1aab n LYS 6 Cb 0.00 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.33 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1aab s LYS 7 N -3.03 4.51 1.14 1.97 2.20 -1.26 -4.78 119.74 120.49 1aab s LYS 7 Ca 0.37 1.83 -0.12 0.00 -0.36 0.00 0.00 55.97 57.69 1aab s LYS 7 Cb 0.40 -3.25 0.27 0.00 -1.51 0.00 0.00 37.83 33.73 1aab s LYS 7 CO -0.05 -0.06 1.02 -0.35 -0.36 0.00 0.00 175.35 175.55 1aab n PRO 8 N 2.53 -2.14 -0.01 4.03 -0.04 -1.26 -4.94 135.00 133.18 1aab n PRO 8 Ca 0.04 -0.59 -0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1aab n PRO 8 Cb 0.45 -2.20 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1aab n PRO 8 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1aab h ARG 9 N -2.56 0.00 0.00 0.54 2.43 -1.95 -3.50 114.38 109.33 1aab h ARG 9 Ca -0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1aab h ARG 9 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1aab h ARG 9 CO 0.47 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.34 1aab n GLY 10 N 1.93 0.74 3.49 2.80 0.00 -1.26 -5.08 105.19 107.80 1aab n GLY 10 Ca -0.00 0.55 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 1aab n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aab n LYS 11 N 0.00 0.78 -1.89 1.61 -0.00 -1.26 -4.90 118.16 112.50 1aab n LYS 11 Ca 0.00 0.13 -0.32 0.00 -0.00 0.00 0.00 58.31 58.11 1aab n LYS 11 Cb 0.00 -2.49 0.03 0.00 -0.00 0.00 0.00 35.03 32.56 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1aab s MET 12 N 7.53 3.11 0.68 -1.58 -1.94 -1.26 -4.98 119.30 120.86 1aab s MET 12 Ca 1.13 1.21 -0.09 0.00 -1.71 0.00 0.00 55.69 56.23 1aab s MET 12 Cb -0.77 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.09 1aab s MET 12 CO 0.43 -0.98 1.04 -1.12 -0.01 0.00 0.00 175.02 174.37 1aab s SER 13 N -2.90 5.32 0.42 3.03 0.01 -1.26 -4.69 113.70 113.63 1aab s SER 13 Ca 0.63 0.89 0.12 0.00 1.31 0.00 0.00 55.95 58.91 1aab s SER 13 Cb -0.17 -1.70 0.97 0.00 0.21 0.00 0.00 66.02 65.33 1aab s SER 13 CO 0.41 -1.34 1.98 0.28 0.41 0.00 0.00 173.24 174.97 1aab h SER 14 N -0.54 0.43 0.08 2.44 0.02 -1.92 0.16 113.55 114.22 1aab h SER 14 Ca -0.45 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1aab h SER 14 Cb 1.27 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1aab h SER 14 CO 0.63 0.27 -0.04 0.22 -1.14 0.00 0.00 176.83 176.76 1aab h TYR 15 N 0.48 -0.10 -0.42 3.45 3.20 -1.92 -2.73 116.97 118.94 1aab h TYR 15 Ca 0.28 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.27 1aab h TYR 15 Cb 0.47 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1aab h TYR 15 CO -0.00 0.40 0.34 0.00 -1.64 0.00 0.00 178.16 177.26 1aab h ALA 16 N 0.14 2.28 -0.15 1.82 0.00 -1.66 0.38 119.26 122.07 1aab h ALA 16 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1aab h ALA 16 CO 0.02 -0.56 -0.49 0.74 0.00 0.00 0.00 179.25 178.96 1aab h PHE 17 N 0.00 0.48 0.00 0.00 0.04 -0.52 -1.29 116.94 115.65 1aab h PHE 17 Ca 0.20 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1aab h PHE 17 Cb 0.89 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1aab h PHE 17 CO 0.00 0.81 0.00 0.35 -0.60 0.00 0.00 178.31 178.87 1aab h PHE 18 N 0.31 0.00 0.07 -0.55 3.04 -0.02 -2.98 116.94 116.81 1aab h PHE 18 Ca 0.02 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.78 1aab h PHE 18 Cb 0.98 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 1aab h PHE 18 CO 0.03 0.00 -0.91 0.28 -2.02 0.00 0.00 178.31 175.68 1aab h VAL 19 N 0.00 1.30 0.00 1.41 2.07 -0.25 -1.96 116.25 118.81 1aab h VAL 19 Ca 0.00 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 1aab h VAL 19 Cb 0.68 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1aab h VAL 19 CO 0.00 0.61 -0.02 0.06 0.02 0.00 0.00 177.57 178.24 1aab h GLN 20 N -0.62 0.00 0.00 1.57 3.07 -1.30 1.13 115.11 118.96 1aab h GLN 20 Ca -0.20 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.34 1aab h GLN 20 Cb 1.46 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.00 1aab h GLN 20 CO 0.01 0.02 -0.94 1.15 0.09 0.00 0.00 178.83 179.16 1aab h THR 21 N 0.00 1.67 0.00 1.86 2.02 -1.53 -3.06 112.91 113.87 1aab h THR 21 Ca -0.00 -3.23 0.00 0.00 0.77 0.00 0.00 66.41 63.95 1aab h THR 21 Cb 0.06 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1aab h THR 21 CO 0.00 0.92 -0.69 -1.28 0.37 0.00 0.00 175.52 174.84 1aab h SER 22 N 0.00 0.00 0.27 4.18 0.87 0.71 -3.32 113.55 116.25 1aab h SER 22 Ca -0.01 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1aab h SER 22 Cb 1.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1aab h SER 22 CO 0.12 0.07 -0.13 -0.09 -0.53 0.00 0.00 176.83 176.27 1aab h ARG 23 N 0.00 -0.35 -0.30 2.24 2.43 0.11 -1.30 114.38 117.22 1aab h ARG 23 Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1aab h ARG 23 Cb 0.83 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1aab h ARG 23 CO 0.00 -0.02 0.21 1.05 -1.51 0.00 0.00 179.97 179.70 1aab h GLU 24 N -0.94 0.18 0.00 0.20 4.11 -1.70 0.54 114.58 116.97 1aab h GLU 24 Ca -0.04 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 1aab h GLU 24 Cb 0.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1aab h GLU 24 CO 0.06 0.12 -0.25 0.93 0.07 0.00 0.00 179.01 179.94 1aab h GLU 25 N 0.19 0.00 0.00 1.06 5.08 -1.64 -2.98 114.58 116.28 1aab h GLU 25 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1aab h GLU 25 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1aab h GLU 25 CO -0.02 0.25 -1.23 1.58 -1.00 0.00 0.00 179.01 178.59 1aab n HIS 26 N -3.31 0.53 -0.27 4.33 -0.00 0.11 -4.03 115.22 112.58 1aab n HIS 26 Ca 0.01 0.15 -0.01 0.00 -0.00 0.00 0.00 57.72 57.88 1aab n HIS 26 Cb 0.50 -0.70 0.11 0.00 -0.00 0.00 0.00 29.99 29.91 1aab n HIS 26 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1aab h LYS 27 N 0.00 0.81 0.00 1.57 3.64 0.02 0.29 116.57 122.91 1aab h LYS 27 Ca 0.00 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1aab h LYS 27 Cb 0.92 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1aab h LYS 27 CO 0.00 0.54 -0.56 0.87 -2.27 0.00 0.00 179.45 178.03 1aab h LYS 28 N 0.84 0.00 -0.06 1.90 1.57 -1.73 -3.25 116.57 115.83 1aab h LYS 28 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1aab h LYS 28 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1aab h LYS 28 CO -0.17 0.41 0.00 1.17 -0.57 0.00 0.00 179.45 180.29 1aab n LYS 29 N -3.16 1.98 -3.01 3.15 4.81 -0.79 -4.47 118.16 116.67 1aab n LYS 29 Ca 0.01 -1.43 -0.16 0.00 -0.87 0.00 0.00 58.31 55.86 1aab n LYS 29 Cb 0.72 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1aab n HIS 30 N 0.72 -1.26 0.27 5.64 8.25 0.96 -4.97 115.22 124.84 1aab n HIS 30 Ca 0.17 -3.02 0.13 0.00 -0.26 0.00 0.00 57.72 54.74 1aab n HIS 30 Cb 0.46 0.42 0.73 0.00 1.12 0.00 0.00 29.99 32.72 1aab n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aab h PRO 31 N 3.39 0.00 0.19 -0.41 0.13 -1.78 -3.08 132.00 130.44 1aab h PRO 31 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.85 1aab h PRO 31 Cb 0.99 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.14 1aab h PRO 31 CO 0.37 0.11 -1.34 -0.44 -0.23 0.00 0.00 178.00 176.47 1aab h ASP 32 N 0.00 0.62 -0.84 1.44 3.32 -1.93 -3.34 116.42 115.69 1aab h ASP 32 Ca -0.00 -0.92 0.11 0.00 0.02 0.00 0.00 57.03 56.24 1aab h ASP 32 Cb 0.36 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 1aab h ASP 32 CO 0.01 1.63 0.47 0.00 -1.72 0.00 0.00 179.24 179.63 1aab h ALA 33 N 0.09 1.22 0.00 3.45 0.00 -1.95 -3.44 119.26 118.62 1aab h ALA 33 Ca -0.25 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1aab h ALA 33 Cb 1.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1aab h ALA 33 CO 0.18 0.04 0.00 0.45 0.00 0.00 0.00 179.25 179.93 1aab n SER 34 N -4.78 0.00 -3.07 0.00 2.88 -1.22 -4.15 113.62 103.28 1aab n SER 34 Ca 0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.61 1aab n SER 34 Cb 0.33 -1.41 0.01 0.00 -0.75 0.00 0.00 64.21 62.39 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1aab n VAL 35 N -2.00 -6.23 1.77 2.46 0.31 -1.26 -4.78 118.33 108.60 1aab n VAL 35 Ca 0.00 0.87 0.10 0.00 -0.01 0.00 0.00 64.34 65.29 1aab n VAL 35 Cb 0.00 -4.70 0.58 0.00 -0.91 0.00 0.00 33.84 28.81 1aab n VAL 35 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1aab n ASN 36 N 0.70 0.00 0.00 4.52 3.02 -1.26 -4.80 115.26 117.44 1aab n ASN 36 Ca -0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1aab n ASN 36 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1aab n ASN 36 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1aab n PHE 37 N -0.84 0.00 1.51 3.10 -0.00 -1.26 -4.58 117.46 115.38 1aab n PHE 37 Ca 0.15 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.74 1aab n PHE 37 Cb 0.07 -0.20 0.55 0.00 -0.00 0.00 0.00 39.48 39.89 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1aab n SER 38 N 0.04 1.27 -2.93 -2.13 7.64 -1.26 -4.24 113.62 112.01 1aab n SER 38 Ca 0.00 -1.34 -0.14 0.00 1.01 0.00 0.00 58.87 58.40 1aab n SER 38 Cb 0.00 0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1aab n GLU 39 N -0.07 0.92 0.07 1.43 1.02 -1.26 -4.95 120.64 117.79 1aab n GLU 39 Ca 0.18 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 1aab n GLU 39 Cb 0.33 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1aab n GLU 39 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1aab n PHE 40 N 0.72 -2.85 0.08 -0.32 7.35 -1.26 -4.70 117.46 116.48 1aab n PHE 40 Ca 0.14 0.45 0.04 0.00 -0.76 0.00 0.00 57.45 57.33 1aab n PHE 40 Cb 0.65 1.45 0.22 0.00 0.35 0.00 0.00 39.48 42.15 1aab n PHE 40 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1aab n SER 41 N -2.79 0.21 -0.10 -2.13 3.41 -1.26 -0.03 113.62 110.92 1aab n SER 41 Ca 0.00 0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 59.10 1aab n SER 41 Cb 0.00 -0.50 0.22 0.00 -0.26 0.00 0.00 64.21 63.67 1aab n SER 41 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1aab h LYS 42 N 0.00 0.77 0.00 4.33 1.63 -1.92 0.42 116.57 121.80 1aab h LYS 42 Ca 0.00 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1aab h LYS 42 Cb 0.30 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1aab h LYS 42 CO 0.00 0.69 -0.00 0.87 -3.45 0.00 0.00 179.45 177.56 1aab h LYS 43 N 0.74 -0.01 -0.77 1.90 1.57 -0.83 -3.15 116.57 116.03 1aab h LYS 43 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1aab h LYS 43 Cb 0.27 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1aab h LYS 43 CO -0.00 0.87 0.51 0.00 -0.57 0.00 0.00 179.45 180.25 1aab h SER 45 N 0.91 0.07 0.41 0.00 0.87 -1.00 0.82 113.55 115.63 1aab h SER 45 Ca 0.31 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1aab h SER 45 Cb 0.10 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1aab h SER 45 CO -0.10 0.07 0.00 1.21 -0.53 0.00 0.00 176.83 177.48 1aab n GLU 46 N -5.05 0.00 -0.00 2.24 2.13 -0.69 -1.40 120.64 117.87 1aab n GLU 46 Ca -0.02 0.30 0.08 0.00 0.66 0.00 0.00 57.16 58.18 1aab n GLU 46 Cb 0.09 -1.51 -0.10 0.00 0.27 0.00 0.00 31.44 30.19 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1aab n ARG 47 N -1.52 1.30 -0.07 5.31 0.63 0.11 -4.44 116.66 117.98 1aab n ARG 47 Ca 0.03 -0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.87 1aab n ARG 47 Cb 0.14 -1.31 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 1aab n ARG 47 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1aab n TRP 48 N -1.41 0.00 0.20 -0.14 -0.00 0.24 -4.32 117.44 112.01 1aab n TRP 48 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.60 1aab n TRP 48 Cb 0.27 -0.46 0.34 0.00 -0.00 0.00 0.00 31.31 31.46 1aab n TRP 48 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1aab h LYS 49 N -0.84 0.00 0.13 5.87 1.57 -1.47 0.22 116.57 122.05 1aab h LYS 49 Ca -0.05 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.41 1aab h LYS 49 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1aab h LYS 49 CO -0.03 0.00 -1.59 0.00 -0.57 0.00 0.00 179.45 177.26 1aab h THR 50 N 0.00 1.09 -2.64 -0.16 1.03 -1.78 -3.47 112.91 106.98 1aab h THR 50 Ca 0.00 -2.72 -0.41 0.00 -0.01 0.00 0.00 66.41 63.27 1aab h THR 50 Cb 0.86 2.76 0.22 0.00 -1.07 0.00 0.00 68.15 70.91 1aab h THR 50 CO 0.00 0.82 -0.48 0.23 -0.01 0.00 0.00 175.52 176.08 1aab n MET 51 N -3.48 -2.60 -3.29 0.00 2.81 0.76 -4.99 117.12 106.32 1aab n MET 51 Ca -0.18 -0.75 -0.26 0.00 -1.81 0.00 0.00 57.70 54.70 1aab n MET 51 Cb 1.05 -1.87 -0.02 0.00 -0.71 0.00 0.00 33.22 31.67 1aab n MET 51 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1aab s SER 52 N -2.24 6.34 0.51 7.83 1.04 -1.26 -4.92 113.70 121.00 1aab s SER 52 Ca 0.60 0.59 0.29 0.00 0.48 0.00 0.00 55.95 57.92 1aab s SER 52 Cb -0.16 -2.09 1.59 0.00 0.10 0.00 0.00 66.02 65.46 1aab s SER 52 CO 0.61 -0.28 1.88 0.00 0.98 0.00 0.00 173.24 176.43 1aab h ALA 53 N 1.05 1.11 0.45 5.32 0.00 -1.95 -1.23 119.26 124.00 1aab h ALA 53 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aab h ALA 53 CO 0.63 -0.11 -0.21 0.87 0.00 0.00 0.00 179.25 180.43 1aab h LYS 54 N 0.00 -0.58 -0.41 0.00 1.57 -1.97 0.54 116.57 115.72 1aab h LYS 54 Ca 0.00 0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1aab h LYS 54 Cb 0.24 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1aab h LYS 54 CO 0.00 -0.28 -0.12 0.93 -0.57 0.00 0.00 179.45 179.41 1aab h GLU 55 N -0.85 0.80 0.00 3.15 5.08 -1.68 -1.06 114.58 120.02 1aab h GLU 55 Ca -0.06 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1aab h GLU 55 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1aab h GLU 55 CO 0.10 0.94 0.00 1.63 -1.00 0.00 0.00 179.01 180.68 1aab n LYS 56 N -4.30 0.24 0.10 2.33 5.02 -0.57 -1.90 118.16 119.09 1aab n LYS 56 Ca -0.01 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1aab n LYS 56 Cb 0.38 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 1aab n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1aab h GLY 57 N 2.77 0.35 2.00 0.72 0.00 0.15 -2.12 103.07 106.94 1aab h GLY 57 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 47.33 46.37 1aab h GLY 57 CO 0.00 0.79 -0.29 1.70 0.00 0.00 0.00 176.54 178.74 1aab h LYS 58 N 0.08 0.00 0.00 4.80 3.11 -1.20 -2.61 116.57 120.76 1aab h LYS 58 Ca -0.18 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.56 1aab h LYS 58 Cb 2.01 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.23 1aab h LYS 58 CO 0.21 0.29 -0.69 0.74 -2.81 0.00 0.00 179.45 177.19 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.54 -2.88 116.94 114.47 1aab h PHE 59 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1aab h PHE 59 Cb 1.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1aab h PHE 59 CO 0.00 0.43 -0.43 0.93 -0.60 0.00 0.00 178.31 178.64 1aab h GLU 60 N 0.00 0.00 -0.18 1.51 4.39 -1.10 -1.15 114.58 118.05 1aab h GLU 60 Ca -0.04 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 1aab h GLU 60 Cb 1.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1aab h GLU 60 CO 0.05 0.43 -0.63 0.22 -1.16 0.00 0.00 179.01 177.92 1aab h ASP 61 N 0.00 0.72 -0.11 1.42 1.82 -1.26 0.10 116.42 119.11 1aab h ASP 61 Ca -0.00 -0.42 -0.09 0.00 -0.39 0.00 0.00 57.03 56.12 1aab h ASP 61 Cb 1.06 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1aab h ASP 61 CO 0.06 1.18 -0.27 0.24 -1.61 0.00 0.00 179.24 178.83 1aab h MET 62 N 0.47 0.39 -0.08 0.28 2.86 -1.38 0.15 114.93 117.62 1aab h MET 62 Ca -0.01 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1aab h MET 62 Cb 1.21 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1aab h MET 62 CO 0.12 0.87 -0.10 0.00 1.06 0.00 0.00 176.91 178.87 1aab h ALA 63 N 0.51 1.69 -0.14 6.32 0.00 -1.19 0.18 119.26 126.64 1aab h ALA 63 Ca -0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1aab h ALA 63 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1aab h ALA 63 CO 0.06 0.23 -0.61 -0.22 0.00 0.00 0.00 179.25 178.71 1aab h LYS 64 N 0.11 0.49 -0.05 0.00 3.64 -0.55 -1.02 116.57 119.20 1aab h LYS 64 Ca 0.03 -0.34 -0.14 0.00 -1.27 0.00 0.00 60.65 58.93 1aab h LYS 64 Cb 0.25 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1aab h LYS 64 CO 0.01 0.95 -0.59 0.00 -2.27 0.00 0.00 179.45 177.56 1aab h ALA 65 N 0.97 0.92 -0.37 5.00 0.00 0.36 -2.81 119.26 123.33 1aab h ALA 65 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 1aab h ALA 65 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1aab h ALA 65 CO 0.11 0.72 -0.40 0.22 0.00 0.00 0.00 179.25 179.90 1aab h ASP 66 N 0.12 0.96 -0.88 0.00 1.82 -0.43 -2.55 116.42 115.46 1aab h ASP 66 Ca -0.00 -0.44 0.17 0.00 -0.39 0.00 0.00 57.03 56.36 1aab h ASP 66 Cb 1.07 -0.27 -0.07 0.00 0.68 0.00 0.00 39.33 40.74 1aab h ASP 66 CO 0.09 1.23 0.57 0.50 -1.61 0.00 0.00 179.24 180.02 1aab h LYS 67 N 0.73 0.54 -0.03 0.28 3.64 -0.93 0.20 116.57 121.00 1aab h LYS 67 Ca 0.06 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 1aab h LYS 67 Cb 0.98 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1aab h LYS 67 CO 0.10 0.35 -0.80 0.00 -2.27 0.00 0.00 179.45 176.83 1aab h ALA 68 N 1.61 0.58 0.00 5.00 0.00 -1.37 -2.38 119.26 122.70 1aab h ALA 68 Ca 0.45 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1aab h ALA 68 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1aab h ALA 68 CO -0.20 0.83 -0.35 0.00 0.00 0.00 0.00 179.25 179.53 1aab h ARG 69 N 0.17 0.00 0.14 0.00 2.47 -0.31 -1.54 114.38 115.32 1aab h ARG 69 Ca -0.04 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.49 1aab h ARG 69 Cb 1.40 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.74 1aab h ARG 69 CO 0.13 0.35 -0.85 -0.92 0.56 0.00 0.00 179.97 179.24 1aab h TYR 70 N 0.00 0.55 0.16 3.04 5.03 -0.94 -3.13 116.97 121.68 1aab h TYR 70 Ca -0.00 -0.40 -0.01 0.00 2.58 0.00 0.00 58.73 60.89 1aab h TYR 70 Cb 0.78 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1aab h TYR 70 CO 0.00 1.32 -0.08 0.93 -1.32 0.00 0.00 178.16 179.02 1aab h GLU 71 N -0.36 -0.21 0.00 1.82 4.39 -1.40 -2.63 114.58 116.19 1aab h GLU 71 Ca -0.15 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1aab h GLU 71 Cb 1.66 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 1aab h GLU 71 CO 0.15 0.19 0.08 0.00 -1.16 0.00 0.00 179.01 178.27 1aab h ARG 72 N -0.68 0.00 0.13 2.33 3.08 -1.45 -0.56 114.38 117.23 1aab h ARG 72 Ca -0.02 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 1aab h ARG 72 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1aab h ARG 72 CO 0.04 0.00 -1.45 0.93 -1.07 0.00 0.00 179.97 178.41 1aab h GLU 73 N 0.00 0.27 -0.06 0.04 4.39 -1.46 -3.26 114.58 114.50 1aab h GLU 73 Ca 0.00 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.26 1aab h GLU 73 Cb 0.16 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1aab h GLU 73 CO 0.00 1.15 0.08 0.52 -1.16 0.00 0.00 179.01 179.61 1aab h MET 74 N 0.07 0.00 0.00 2.33 2.86 -0.73 0.52 114.93 119.99 1aab h MET 74 Ca -0.21 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1aab h MET 74 Cb 2.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 1aab h MET 74 CO 0.18 0.00 -0.30 -0.22 1.06 0.00 0.00 176.91 177.63 1aab h LYS 75 N 0.00 0.00 -0.02 1.72 1.63 -1.59 -2.57 116.57 115.75 1aab h LYS 75 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1aab h LYS 75 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1aab h LYS 75 CO -0.00 0.30 -0.23 0.25 -3.45 0.00 0.00 179.45 176.32 1aab n THR 76 N -3.90 0.00 0.00 1.00 -2.24 0.15 -4.74 114.28 104.55 1aab n THR 76 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1aab n THR 76 Cb 0.38 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aab n TYR 77 N 0.13 0.00 -2.99 4.78 9.36 -0.97 -4.96 117.16 122.51 1aab n TYR 77 Ca 0.13 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.34 1aab n TYR 77 Cb 0.44 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.15 1aab n TYR 77 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1aab n ILE 78 N 0.00 -5.15 -0.48 2.97 -0.00 -1.26 -4.94 119.36 110.50 1aab n ILE 78 Ca 0.00 0.94 -0.29 0.00 -0.00 0.00 0.00 62.75 63.40 1aab n ILE 78 Cb 0.00 -4.10 0.27 0.00 -0.00 0.00 0.00 39.64 35.80 1aab n ILE 78 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 1aab s PRO 79 N -0.81 -1.72 0.00 0.38 0.02 -1.26 -5.01 135.00 126.60 1aab s PRO 79 Ca -0.04 0.58 0.00 0.00 0.02 0.00 0.00 61.00 61.56 1aab s PRO 79 Cb 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 33.04 1aab s PRO 79 CO 0.26 -4.19 0.00 -0.35 -0.33 0.00 0.00 177.00 172.39 1aab n PRO 80 N -5.21 0.41 -1.96 5.54 -0.04 -1.26 -4.71 135.00 127.77 1aab n PRO 80 Ca 0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 1aab n PRO 80 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 1aab n PRO 80 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1aab s LYS 81 N -0.70 2.21 0.00 0.54 2.20 -1.26 -4.67 119.74 118.05 1aab s LYS 81 Ca 0.00 -0.87 0.18 0.00 -0.36 0.00 0.00 55.97 54.92 1aab s LYS 81 Cb 0.00 -5.16 0.99 0.00 -1.51 0.00 0.00 37.83 32.16 1aab s LYS 81 CO 0.00 -4.24 1.50 0.41 -0.36 0.00 0.00 175.35 172.66 1aab n GLY 82 N 6.03 -0.70 0.00 5.54 0.00 -1.26 -5.35 105.19 109.44 1aab n GLY 82 Ca 0.44 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.42 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50