#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 -0.10 0.00 1.61 -2.85 -1.26 -4.88 119.74 112.26 1aab s LYS 2 Ca 0.00 0.57 0.00 0.00 -1.00 0.00 0.00 55.97 55.54 1aab s LYS 2 Cb 0.00 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.10 1aab s LYS 2 CO 0.00 -3.10 0.00 0.41 0.10 0.00 0.00 175.35 172.76 1aab n GLY 3 N -0.53 0.00 3.68 0.59 0.00 -1.26 -5.00 105.19 102.68 1aab n GLY 3 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1aab n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aab n ASP 4 N 0.00 -5.39 0.00 1.61 2.03 -1.26 -4.94 116.55 108.60 1aab n ASP 4 Ca 0.00 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1aab n ASP 4 Cb 0.00 -3.13 0.00 0.00 -0.72 0.00 0.00 41.12 37.27 1aab n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1aab n PRO 5 N -3.83 0.00 -0.39 -0.67 -0.04 -1.26 -4.65 135.00 124.16 1aab n PRO 5 Ca -0.12 0.41 0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1aab n PRO 5 Cb 0.59 -1.19 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.74 0.18 -1.59 0.54 5.02 -1.26 -5.10 118.16 114.21 1aab n LYS 6 Ca 0.00 -1.11 -0.47 0.00 -2.02 0.00 0.00 58.31 54.70 1aab n LYS 6 Cb 0.00 -0.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 1aab n LYS 6 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1aab n LYS 7 N -0.16 1.30 -0.76 1.97 4.81 -1.26 -4.90 118.16 119.17 1aab n LYS 7 Ca 0.02 0.46 -0.32 0.00 -0.87 0.00 0.00 58.31 57.59 1aab n LYS 7 Cb 0.66 -1.95 0.14 0.00 0.02 0.00 0.00 35.03 33.90 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1aab n PRO 8 N 1.58 -0.45 0.00 1.64 -0.02 -1.26 -4.84 135.00 131.65 1aab n PRO 8 Ca 0.14 -0.09 0.09 0.00 -2.02 0.00 0.00 63.50 61.62 1aab n PRO 8 Cb 0.27 -1.95 0.55 0.00 -0.02 0.00 0.00 33.50 32.35 1aab n PRO 8 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1aab n ARG 9 N -2.28 0.94 -1.47 -0.52 0.63 -1.26 -4.94 116.66 107.76 1aab n ARG 9 Ca 0.07 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1aab n ARG 9 Cb 0.54 -1.31 -0.00 0.00 0.45 0.00 0.00 32.46 32.13 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aab n GLY 10 N 0.72 -3.22 3.45 5.14 0.00 -1.26 -4.79 105.19 105.23 1aab n GLY 10 Ca 0.14 -0.24 -0.48 0.00 0.00 0.00 0.00 46.02 45.44 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 0.22 0.87 -0.80 1.61 2.85 -1.26 -4.89 118.16 116.76 1aab n LYS 11 Ca -0.04 0.20 -0.30 0.00 -1.05 0.00 0.00 58.31 57.12 1aab n LYS 11 Cb 0.05 -2.41 0.17 0.00 -0.65 0.00 0.00 35.03 32.20 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1aab s MET 12 N 6.83 0.73 0.66 -1.58 -1.94 -1.26 -4.94 119.30 117.80 1aab s MET 12 Ca 1.12 1.23 -0.04 0.00 -1.71 0.00 0.00 55.69 56.29 1aab s MET 12 Cb -0.86 -1.72 0.05 0.00 2.01 0.00 0.00 34.83 34.32 1aab s MET 12 CO 0.47 -2.72 0.94 -1.12 -0.01 0.00 0.00 175.02 172.58 1aab s SER 13 N -2.83 4.93 0.46 3.03 0.01 -1.26 -4.73 113.70 113.31 1aab s SER 13 Ca 0.66 0.30 0.13 0.00 1.31 0.00 0.00 55.95 58.35 1aab s SER 13 Cb -0.22 -1.01 1.05 0.00 0.21 0.00 0.00 66.02 66.05 1aab s SER 13 CO 0.59 -1.47 2.05 0.28 0.41 0.00 0.00 173.24 175.10 1aab h SER 14 N -0.40 0.10 0.01 2.44 0.02 -1.92 -1.00 113.55 112.79 1aab h SER 14 Ca -0.44 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1aab h SER 14 Cb 1.31 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1aab h SER 14 CO 0.57 0.17 -0.01 0.22 -1.14 0.00 0.00 176.83 176.64 1aab h TYR 15 N 0.11 -0.02 -0.40 3.45 3.20 -1.93 -2.97 116.97 118.41 1aab h TYR 15 Ca 0.03 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1aab h TYR 15 Cb 0.16 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1aab h TYR 15 CO 0.00 0.69 0.36 0.00 -1.64 0.00 0.00 178.16 177.58 1aab h ALA 16 N 0.19 2.18 -0.04 1.82 0.00 -1.82 0.48 119.26 122.07 1aab h ALA 16 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1aab h ALA 16 CO 0.00 -0.57 -0.65 0.74 0.00 0.00 0.00 179.25 178.77 1aab h PHE 17 N 0.00 0.20 0.00 0.00 0.04 -1.10 -0.84 116.94 115.25 1aab h PHE 17 Ca 0.19 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1aab h PHE 17 Cb 0.92 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1aab h PHE 17 CO 0.00 0.76 0.00 0.35 -0.60 0.00 0.00 178.31 178.82 1aab h PHE 18 N 0.11 0.00 0.06 -0.55 3.04 0.05 -2.79 116.94 116.86 1aab h PHE 18 Ca -0.01 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 1aab h PHE 18 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1aab h PHE 18 CO 0.02 0.00 -0.53 0.28 -2.02 0.00 0.00 178.31 176.05 1aab h VAL 19 N 0.00 1.54 -0.02 1.41 2.07 -0.53 -1.13 116.25 119.59 1aab h VAL 19 Ca 0.00 -2.40 0.01 0.00 0.82 0.00 0.00 66.70 65.13 1aab h VAL 19 Cb 0.83 3.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1aab h VAL 19 CO 0.00 0.62 0.04 0.06 0.02 0.00 0.00 177.57 178.32 1aab h GLN 20 N -0.73 0.00 0.12 1.57 -0.00 -1.19 1.32 115.11 116.21 1aab h GLN 20 Ca -0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.25 1aab h GLN 20 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1aab h GLN 20 CO 0.03 0.00 -1.36 1.15 -0.00 0.00 0.00 178.83 178.66 1aab h THR 21 N 0.00 1.36 0.00 1.86 2.02 -1.45 -3.08 112.91 113.62 1aab h THR 21 Ca 0.01 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 64.23 1aab h THR 21 Cb 0.10 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1aab h THR 21 CO -0.00 0.86 -0.31 -1.20 0.37 0.00 0.00 175.52 175.24 1aab n SER 22 N -3.49 0.64 0.11 4.18 7.64 0.75 -3.76 113.62 119.69 1aab n SER 22 Ca -0.11 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 1aab n SER 22 Cb 1.03 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 1aab n SER 22 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1aab h ARG 23 N 0.00 -0.36 -0.18 1.43 2.43 0.16 -0.43 114.38 117.43 1aab h ARG 23 Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1aab h ARG 23 Cb 0.69 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1aab h ARG 23 CO 0.00 -0.07 0.20 0.93 -1.51 0.00 0.00 179.97 179.52 1aab h GLU 24 N -1.01 0.00 0.00 0.20 5.08 -1.67 0.52 114.58 117.70 1aab h GLU 24 Ca -0.04 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1aab h GLU 24 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1aab h GLU 24 CO 0.06 0.00 -0.66 0.93 -1.00 0.00 0.00 179.01 178.34 1aab h GLU 25 N 0.00 0.00 0.00 2.33 4.39 -1.63 -3.29 114.58 116.38 1aab h GLU 25 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1aab h GLU 25 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1aab h GLU 25 CO -0.00 0.31 -1.05 1.58 -1.16 0.00 0.00 179.01 178.69 1aab n HIS 26 N -3.07 0.81 -0.29 4.33 -0.00 0.15 -4.07 115.22 113.08 1aab n HIS 26 Ca -0.00 0.24 0.04 0.00 -0.00 0.00 0.00 57.72 57.99 1aab n HIS 26 Cb 0.70 -0.86 0.18 0.00 -0.00 0.00 0.00 29.99 30.01 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 0.70 0.00 1.57 3.64 -0.68 0.43 116.57 122.23 1aab h LYS 27 Ca 0.00 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1aab h LYS 27 Cb 0.96 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1aab h LYS 27 CO 0.00 0.46 -0.63 0.87 -2.27 0.00 0.00 179.45 177.88 1aab h LYS 28 N 0.72 0.00 -0.02 1.90 1.57 -1.77 -3.22 116.57 115.76 1aab h LYS 28 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1aab h LYS 28 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1aab h LYS 28 CO -0.29 0.50 -0.05 1.17 -0.57 0.00 0.00 179.45 180.21 1aab n LYS 29 N -3.19 1.64 -2.97 3.15 4.81 -0.56 -4.45 118.16 116.59 1aab n LYS 29 Ca 0.01 -1.06 -0.15 0.00 -0.87 0.00 0.00 58.31 56.24 1aab n LYS 29 Cb 0.76 -1.48 0.01 0.00 0.02 0.00 0.00 35.03 34.33 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 0.25 -1.59 0.30 5.64 8.25 0.14 -4.96 115.22 123.24 1aab n HIS 30 Ca 0.17 -2.82 0.18 0.00 -0.26 0.00 0.00 57.72 54.99 1aab n HIS 30 Cb 0.40 0.58 0.77 0.00 1.12 0.00 0.00 29.99 32.86 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 3.55 0.00 0.08 -0.41 0.13 -1.77 -3.20 132.00 130.38 1aab h PRO 31 Ca -0.02 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.80 1aab h PRO 31 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1aab h PRO 31 CO 0.36 0.00 -1.69 -0.44 -0.23 0.00 0.00 178.00 176.00 1aab h ASP 32 N 0.00 0.27 -0.87 1.44 5.19 -1.93 -3.36 116.42 117.16 1aab h ASP 32 Ca 0.00 -0.79 0.21 0.00 -0.62 0.00 0.00 57.03 55.83 1aab h ASP 32 Cb 0.40 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.76 1aab h ASP 32 CO 0.00 1.71 0.59 0.00 -3.12 0.00 0.00 179.24 178.42 1aab h ALA 33 N -0.14 2.35 0.00 3.45 0.00 -1.96 -3.44 119.26 119.52 1aab h ALA 33 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1aab h ALA 33 Cb 1.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1aab h ALA 33 CO -0.02 -0.62 0.00 0.43 0.00 0.00 0.00 179.25 179.04 1aab n SER 34 N -4.45 -3.10 -3.04 0.00 7.64 -1.23 -3.78 113.62 105.65 1aab n SER 34 Ca 0.18 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.04 1aab n SER 34 Cb 0.74 -2.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.64 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aab n VAL 35 N -1.25 -5.71 1.44 0.44 0.31 -1.26 -4.84 118.33 107.46 1aab n VAL 35 Ca 0.00 0.94 0.04 0.00 -0.01 0.00 0.00 64.34 65.31 1aab n VAL 35 Cb 0.26 -4.46 0.14 0.00 -0.91 0.00 0.00 33.84 28.86 1aab n VAL 35 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1aab n ASN 36 N 0.97 0.96 -3.97 4.52 5.15 -1.25 -4.88 115.26 116.77 1aab n ASN 36 Ca -0.00 -1.94 -0.29 0.00 -0.60 0.00 0.00 54.58 51.75 1aab n ASN 36 Cb 0.34 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1aab n PHE 37 N 0.00 -1.90 -1.57 1.20 3.72 -1.26 -4.68 117.46 112.97 1aab n PHE 37 Ca 0.07 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.30 1aab n PHE 37 Cb 0.16 -3.73 0.00 0.00 -0.94 0.00 0.00 39.48 34.97 1aab n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1aab n SER 38 N -2.87 0.00 0.00 4.37 3.41 -1.26 -4.91 113.62 112.35 1aab n SER 38 Ca -0.11 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1aab n SER 38 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aab n GLU 39 N 0.00 0.96 -0.04 4.33 1.02 -1.26 -4.90 120.64 120.74 1aab n GLU 39 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1aab n GLU 39 Cb 0.34 -0.24 -0.09 0.00 -0.02 0.00 0.00 31.44 31.44 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1aab h PHE 40 N 0.00 -0.03 -0.45 -0.32 3.57 -1.93 -3.26 116.94 114.52 1aab h PHE 40 Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1aab h PHE 40 Cb 0.00 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1aab h PHE 40 CO 0.00 0.60 0.47 0.66 -2.23 0.00 0.00 178.31 177.81 1aab h SER 41 N -0.96 0.00 -0.18 0.41 4.64 -1.92 0.73 113.55 116.28 1aab h SER 41 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1aab h SER 41 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1aab h SER 41 CO 0.01 0.00 0.09 0.50 -0.87 0.00 0.00 176.83 176.55 1aab h LYS 42 N 0.00 0.31 0.19 4.77 1.63 -1.91 0.21 116.57 121.78 1aab h LYS 42 Ca 0.21 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1aab h LYS 42 Cb 1.15 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1aab h LYS 42 CO -0.00 0.27 -0.09 -0.22 -3.45 0.00 0.00 179.45 175.95 1aab h LYS 43 N 0.31 -0.25 -0.61 1.90 1.63 0.36 -2.98 116.57 116.92 1aab h LYS 43 Ca 0.08 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.96 1aab h LYS 43 Cb 0.08 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 1aab h LYS 43 CO -0.01 -0.00 0.41 0.00 -3.45 0.00 0.00 179.45 176.40 1aab h SER 45 N 0.61 0.48 0.31 0.00 0.87 -0.66 0.31 113.55 115.48 1aab h SER 45 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1aab h SER 45 Cb 0.26 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1aab h SER 45 CO -0.08 0.34 0.00 -0.08 -0.53 0.00 0.00 176.83 176.48 1aab h GLU 46 N 0.58 0.00 -0.01 2.24 4.57 -1.02 -0.47 114.58 120.47 1aab h GLU 46 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1aab h GLU 46 Cb -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1aab h GLU 46 CO -0.08 0.00 -0.79 -2.13 -1.18 0.00 0.00 179.01 174.83 1aab n ARG 47 N -2.55 0.58 -0.07 1.92 0.63 0.79 -4.43 116.66 113.54 1aab n ARG 47 Ca -0.01 -0.35 -0.09 0.00 -0.92 0.00 0.00 57.85 56.48 1aab n ARG 47 Cb 0.13 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 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 -0.97 0.00 0.18 -0.14 -0.00 0.53 -4.31 117.44 112.74 1aab n TRP 48 Ca 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.61 1aab n TRP 48 Cb 0.37 -0.46 0.31 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.14 5.87 1.79 -1.53 0.15 116.57 122.16 1aab h LYS 49 Ca -0.06 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.08 1aab h LYS 49 Cb 0.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1aab h LYS 49 CO -0.04 0.00 -1.68 0.00 -1.08 0.00 0.00 179.45 176.66 1aab h THR 50 N 0.00 1.00 -2.66 -0.16 1.03 -1.78 -3.47 112.91 106.87 1aab h THR 50 Ca 0.00 -2.63 -0.41 0.00 -0.01 0.00 0.00 66.41 63.36 1aab h THR 50 Cb 0.83 2.73 0.22 0.00 -1.07 0.00 0.00 68.15 70.85 1aab h THR 50 CO 0.00 0.83 -0.48 0.23 -0.01 0.00 0.00 175.52 176.09 1aab n MET 51 N -3.50 -2.59 -3.41 0.00 2.81 0.53 -5.00 117.12 105.97 1aab n MET 51 Ca -0.21 -0.74 -0.25 0.00 -1.81 0.00 0.00 57.70 54.68 1aab n MET 51 Cb 1.06 -1.88 -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 0.45 1.51 0.00 0.00 175.97 177.93 1aab s SER 52 N -2.23 6.33 0.66 7.83 0.15 -1.26 -4.93 113.70 120.24 1aab s SER 52 Ca 0.61 0.50 0.36 0.00 0.70 0.00 0.00 55.95 58.11 1aab s SER 52 Cb -0.17 -2.05 1.98 0.00 -1.71 0.00 0.00 66.02 64.07 1aab s SER 52 CO 0.61 -0.25 2.14 0.00 1.20 0.00 0.00 173.24 176.94 1aab h ALA 53 N 1.08 1.27 0.44 5.45 0.00 -1.95 -1.16 119.26 124.39 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 19.01 1aab h ALA 53 CO 0.63 -0.19 -0.21 0.87 0.00 0.00 0.00 179.25 180.35 1aab h LYS 54 N 0.00 -0.57 -0.52 0.00 1.57 -1.98 0.58 116.57 115.66 1aab h LYS 54 Ca 0.01 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1aab h LYS 54 Cb 0.37 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1aab h LYS 54 CO -0.00 -0.28 -0.01 0.93 -0.57 0.00 0.00 179.45 179.52 1aab h GLU 55 N -0.81 0.92 0.00 3.15 4.39 -1.70 0.09 114.58 120.63 1aab h GLU 55 Ca -0.06 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1aab h GLU 55 Cb 0.55 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1aab h GLU 55 CO 0.10 0.95 0.00 1.63 -1.16 0.00 0.00 179.01 180.53 1aab n LYS 56 N -4.29 0.28 0.09 2.33 5.02 -0.53 -2.09 118.16 118.96 1aab n LYS 56 Ca 0.01 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 1aab n LYS 56 Cb 0.33 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.72 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 2.84 0.66 2.00 0.72 0.00 0.23 -1.71 103.07 107.80 1aab h GLY 57 Ca 0.00 -1.37 -0.08 0.00 0.00 0.00 0.00 47.33 45.88 1aab h GLY 57 CO 0.00 1.21 -0.38 1.70 0.00 0.00 0.00 176.54 179.07 1aab h LYS 58 N 0.26 0.00 0.00 4.80 3.11 -1.30 -2.45 116.57 120.99 1aab h LYS 58 Ca -0.18 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.57 1aab h LYS 58 Cb 1.90 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.11 1aab h LYS 58 CO 0.23 0.38 -0.50 0.74 -2.81 0.00 0.00 179.45 177.49 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.52 -2.75 116.94 114.63 1aab h PHE 59 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1aab h PHE 59 Cb 0.96 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1aab h PHE 59 CO 0.00 0.43 -0.36 0.93 -0.60 0.00 0.00 178.31 178.71 1aab h GLU 60 N 0.00 0.00 -0.06 1.51 4.39 -0.87 -1.89 114.58 117.65 1aab h GLU 60 Ca -0.01 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1aab h GLU 60 Cb 1.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1aab h GLU 60 CO 0.05 0.36 -0.80 0.22 -1.16 0.00 0.00 179.01 177.68 1aab h ASP 61 N 0.00 0.55 0.04 1.42 1.82 -1.15 -0.89 116.42 118.22 1aab h ASP 61 Ca -0.00 -0.39 -0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1aab h ASP 61 Cb 1.01 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1aab h ASP 61 CO 0.05 1.15 -0.02 0.24 -1.61 0.00 0.00 179.24 179.05 1aab h MET 62 N 0.29 -0.06 -0.27 0.28 2.86 -1.36 -0.75 114.93 115.93 1aab h MET 62 Ca -0.05 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 62 Cb 1.40 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 1aab h MET 62 CO 0.14 0.45 0.18 0.00 1.06 0.00 0.00 176.91 178.75 1aab h ALA 63 N 0.30 2.03 0.00 6.32 0.00 -1.39 0.36 119.26 126.89 1aab h ALA 63 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1aab h ALA 63 Cb 0.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1aab h ALA 63 CO 0.01 -0.09 -0.51 -0.22 0.00 0.00 0.00 179.25 178.44 1aab h LYS 64 N 0.17 0.00 -0.16 0.00 3.64 -0.94 -1.60 116.57 117.68 1aab h LYS 64 Ca 0.12 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 1aab h LYS 64 Cb 0.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1aab h LYS 64 CO -0.02 0.51 -0.63 0.00 -2.27 0.00 0.00 179.45 177.05 1aab h ALA 65 N 1.49 0.30 -0.63 5.00 0.00 0.12 -2.95 119.26 122.58 1aab h ALA 65 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1aab h ALA 65 Cb 1.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1aab h ALA 65 CO 0.07 0.57 0.24 0.22 0.00 0.00 0.00 179.25 180.34 1aab h ASP 66 N 0.41 0.86 -0.93 0.00 1.82 -0.88 -1.81 116.42 115.90 1aab h ASP 66 Ca -0.03 -0.12 0.18 0.00 -0.39 0.00 0.00 57.03 56.67 1aab h ASP 66 Cb 1.26 -0.22 -0.11 0.00 0.68 0.00 0.00 39.33 40.94 1aab h ASP 66 CO 0.13 0.78 0.51 0.50 -1.61 0.00 0.00 179.24 179.55 1aab h LYS 67 N 0.91 0.62 -0.15 0.28 3.64 -1.12 0.32 116.57 121.07 1aab h LYS 67 Ca 0.21 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1aab h LYS 67 Cb 0.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1aab h LYS 67 CO -0.02 0.41 -0.62 0.00 -2.27 0.00 0.00 179.45 176.96 1aab h ALA 68 N 1.63 0.63 0.00 5.00 0.00 -1.28 -0.97 119.26 124.27 1aab h ALA 68 Ca 0.54 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1aab h ALA 68 Cb 0.85 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1aab h ALA 68 CO -0.40 0.71 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 1aab h ARG 69 N 0.40 0.00 0.00 0.00 2.47 -0.29 -0.63 114.38 116.32 1aab h ARG 69 Ca -0.01 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 1aab h ARG 69 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1aab h ARG 69 CO 0.12 0.10 -0.57 -0.92 0.56 0.00 0.00 179.97 179.26 1aab h TYR 70 N 0.00 0.00 -0.28 3.04 5.03 -0.21 -3.22 116.97 121.33 1aab h TYR 70 Ca -0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1aab h TYR 70 Cb 0.53 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 1aab h TYR 70 CO 0.00 0.94 0.01 0.93 -1.32 0.00 0.00 178.16 178.72 1aab h GLU 71 N -1.00 0.49 -0.13 1.82 5.08 -1.18 -0.63 114.58 119.02 1aab h GLU 71 Ca -0.14 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1aab h GLU 71 Cb 0.93 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1aab h GLU 71 CO -0.08 0.63 0.09 -0.09 -1.00 0.00 0.00 179.01 178.56 1aab h ARG 72 N 0.28 0.08 0.00 2.33 2.43 -1.30 -2.12 114.38 116.08 1aab h ARG 72 Ca 0.08 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 1aab h ARG 72 Cb 0.40 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1aab h ARG 72 CO 0.01 0.05 -1.17 0.93 -1.51 0.00 0.00 179.97 178.28 1aab h GLU 73 N 0.08 0.00 -0.18 0.20 5.08 -1.50 -3.31 114.58 114.96 1aab h GLU 73 Ca 0.06 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1aab h GLU 73 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1aab h GLU 73 CO -0.01 0.51 0.22 0.52 -1.00 0.00 0.00 179.01 179.25 1aab h MET 74 N 0.00 0.00 -0.01 2.33 2.86 -0.40 0.27 114.93 119.98 1aab h MET 74 Ca -0.12 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 1aab h MET 74 Cb 1.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.29 1aab h MET 74 CO 0.07 0.00 -0.62 0.87 1.06 0.00 0.00 176.91 178.29 1aab h LYS 75 N 0.00 0.02 -0.28 1.72 6.56 -1.64 -2.78 116.57 120.16 1aab h LYS 75 Ca 0.09 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1aab h LYS 75 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1aab h LYS 75 CO -0.00 0.63 0.00 0.25 -2.06 0.00 0.00 179.45 178.27 1aab n THR 76 N -3.81 0.37 0.00 -0.16 -2.24 0.90 -4.65 114.28 104.68 1aab n THR 76 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1aab n THR 76 Cb 0.62 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.68 0.00 -2.98 4.78 9.36 -0.90 -4.99 117.16 123.11 1aab n TYR 77 Ca 0.16 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.38 1aab n TYR 77 Cb 0.40 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.10 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 -5.43 -0.89 2.97 -0.00 -1.26 -4.93 119.36 109.82 1aab n ILE 78 Ca 0.00 0.99 -0.30 0.00 -0.00 0.00 0.00 62.75 63.44 1aab n ILE 78 Cb 0.00 -4.22 0.17 0.00 -0.00 0.00 0.00 39.64 35.59 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 -0.86 0.75 0.00 0.38 0.02 -1.26 -5.02 135.00 129.00 1aab s PRO 79 Ca -0.04 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1aab s PRO 79 Cb 0.00 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1aab s PRO 79 CO 0.28 -2.67 0.00 -0.35 -0.33 0.00 0.00 177.00 173.93 1aab n PRO 80 N -4.21 0.53 -2.12 5.54 -0.04 -1.26 -4.75 135.00 128.68 1aab n PRO 80 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 1aab n PRO 80 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 1aab n PRO 80 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aab s LYS 81 N -0.59 2.68 0.58 0.54 -0.14 -1.26 -4.75 119.74 116.80 1aab s LYS 81 Ca 0.00 -0.89 0.29 0.00 -1.36 0.00 0.00 55.97 54.01 1aab s LYS 81 Cb 0.00 -5.20 1.48 0.00 -1.68 0.00 0.00 37.83 32.43 1aab s LYS 81 CO 0.00 -3.54 1.92 0.78 -0.76 0.00 0.00 175.35 173.75 1aab h GLY 82 N 17.17 0.00 0.00 -3.33 0.00 -1.96 -3.54 103.07 111.40 1aab h GLY 82 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1aab h GLY 82 CO 1.25 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 175.58