#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab n LYS 2 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.96 118.16 118.57 1aab n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 2 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 3 N 3.14 0.20 3.71 0.72 0.00 -1.26 -4.90 105.19 106.80 1aab n GLY 3 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1aab n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aab n ASP 4 N 0.00 1.60 -0.06 1.61 8.00 -1.26 -4.91 116.55 121.53 1aab n ASP 4 Ca 0.00 0.74 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 1aab n ASP 4 Cb 0.00 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 39.53 1aab n ASP 4 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1aab h PRO 5 N -0.01 0.32 0.00 -0.24 0.13 -1.94 -3.42 132.00 126.84 1aab h PRO 5 Ca -0.49 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 1aab h PRO 5 Cb 1.33 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1aab h PRO 5 CO 0.50 0.41 -0.02 0.36 -0.23 0.00 0.00 178.00 179.02 1aab n LYS 6 N -4.80 0.00 -1.65 0.86 2.85 -1.26 -4.83 118.16 109.33 1aab n LYS 6 Ca -0.04 -0.07 -0.46 0.00 -1.05 0.00 0.00 58.31 56.69 1aab n LYS 6 Cb 0.14 0.06 -0.03 0.00 -0.65 0.00 0.00 35.03 34.55 1aab n LYS 6 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1aab n LYS 7 N 0.00 1.91 -1.61 -1.58 4.81 -1.26 -4.87 118.16 115.57 1aab n LYS 7 Ca -0.02 0.68 -0.42 0.00 -0.87 0.00 0.00 58.31 57.68 1aab n LYS 7 Cb 0.34 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.04 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 2.43 1.38 -0.31 1.64 -0.02 -1.26 -4.85 135.00 134.01 1aab n PRO 8 Ca 0.14 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 1aab n PRO 8 Cb 0.29 -1.99 0.10 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.34 1.95 -2.02 -0.52 0.63 -1.26 -4.92 116.66 110.86 1aab n ARG 9 Ca 0.09 -0.96 -0.03 0.00 -0.92 0.00 0.00 57.85 56.03 1aab n ARG 9 Cb 0.37 -1.62 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 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 0.13 -4.08 3.58 5.14 0.00 -1.26 -4.77 105.19 103.92 1aab n GLY 10 Ca 0.12 0.68 -0.59 0.00 0.00 0.00 0.00 46.02 46.23 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 0.81 0.65 -2.07 1.61 -0.00 -1.26 -4.93 118.16 112.98 1aab n LYS 11 Ca -0.21 0.22 -0.27 0.00 -0.00 0.00 0.00 58.31 58.05 1aab n LYS 11 Cb 0.32 -1.92 0.08 0.00 -0.00 0.00 0.00 35.03 33.51 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 4.43 2.12 0.68 -1.58 -1.94 -1.26 -4.98 119.30 116.77 1aab s MET 12 Ca 1.06 -0.08 -0.07 0.00 -1.71 0.00 0.00 55.69 54.89 1aab s MET 12 Cb -1.21 -2.07 0.04 0.00 2.01 0.00 0.00 34.83 33.60 1aab s MET 12 CO 0.66 -1.39 1.00 -1.12 -0.01 0.00 0.00 175.02 174.17 1aab s SER 13 N -4.54 5.05 0.42 3.03 0.01 -1.26 -4.72 113.70 111.69 1aab s SER 13 Ca 0.61 0.60 0.11 0.00 1.31 0.00 0.00 55.95 58.58 1aab s SER 13 Cb -0.11 -1.34 0.91 0.00 0.21 0.00 0.00 66.02 65.69 1aab s SER 13 CO 0.47 -1.46 1.99 0.77 0.41 0.00 0.00 173.24 175.41 1aab h SER 14 N -0.53 0.17 0.01 2.44 4.64 -1.93 -1.16 113.55 117.20 1aab h SER 14 Ca -0.45 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1aab h SER 14 Cb 1.30 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1aab h SER 14 CO 0.61 0.28 -0.01 0.22 -0.87 0.00 0.00 176.83 177.06 1aab h TYR 15 N 0.19 -0.02 -0.39 4.77 3.20 -1.93 -3.03 116.97 119.76 1aab h TYR 15 Ca 0.04 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1aab h TYR 15 Cb 0.25 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1aab h TYR 15 CO 0.00 0.73 0.36 0.00 -1.64 0.00 0.00 178.16 177.61 1aab h ALA 16 N 0.12 2.18 -0.08 1.82 0.00 -1.88 0.46 119.26 121.88 1aab h ALA 16 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 16 Cb 0.76 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1aab h ALA 16 CO 0.00 -0.56 -0.55 0.74 0.00 0.00 0.00 179.25 178.88 1aab h PHE 17 N 0.00 0.31 0.00 0.00 0.04 -1.15 -1.35 116.94 114.79 1aab h PHE 17 Ca 0.19 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1aab h PHE 17 Cb 0.90 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1aab h PHE 17 CO 0.00 0.75 0.00 0.35 -0.60 0.00 0.00 178.31 178.81 1aab h PHE 18 N 0.19 0.00 0.07 -0.55 3.04 -0.03 -2.91 116.94 116.75 1aab h PHE 18 Ca 0.00 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1aab h PHE 18 Cb 1.04 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.55 1aab h PHE 18 CO 0.02 0.00 -0.56 0.28 -2.02 0.00 0.00 178.31 176.03 1aab h VAL 19 N 0.00 1.56 0.00 1.41 2.07 -0.60 -1.16 116.25 119.53 1aab h VAL 19 Ca 0.00 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 1aab h VAL 19 Cb 0.85 3.19 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1aab h VAL 19 CO 0.00 0.65 -0.01 0.06 0.02 0.00 0.00 177.57 178.29 1aab h GLN 20 N -0.66 0.00 0.01 1.57 -0.00 -1.30 1.21 115.11 115.94 1aab h GLN 20 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.33 1aab h GLN 20 Cb 1.37 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.82 1aab h GLN 20 CO 0.06 0.01 -0.97 1.15 -0.00 0.00 0.00 178.83 179.08 1aab h THR 21 N 0.00 1.66 0.00 1.86 2.02 -1.47 -3.06 112.91 113.92 1aab h THR 21 Ca -0.00 -3.21 0.00 0.00 0.77 0.00 0.00 66.41 63.97 1aab h THR 21 Cb 0.04 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1aab h THR 21 CO 0.00 0.92 -0.62 -1.28 0.37 0.00 0.00 175.52 174.91 1aab h SER 22 N 0.01 0.00 0.16 4.18 0.87 0.10 -3.36 113.55 115.51 1aab h SER 22 Ca -0.02 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1aab h SER 22 Cb 1.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1aab h SER 22 CO 0.13 0.08 -0.08 -0.09 -0.53 0.00 0.00 176.83 176.34 1aab h ARG 23 N 0.00 -0.21 -0.58 2.24 2.43 0.13 -0.88 114.38 117.51 1aab h ARG 23 Ca 0.00 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 1aab h ARG 23 Cb 0.80 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1aab h ARG 23 CO 0.00 0.21 0.41 0.93 -1.51 0.00 0.00 179.97 180.01 1aab h GLU 24 N -0.73 0.08 0.01 0.20 5.08 -1.69 0.54 114.58 118.06 1aab h GLU 24 Ca -0.02 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1aab h GLU 24 Cb 0.51 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1aab h GLU 24 CO 0.04 0.05 -1.00 1.49 -1.00 0.00 0.00 179.01 178.59 1aab h GLU 25 N 0.08 0.01 0.00 2.33 4.81 -1.68 -3.22 114.58 116.92 1aab h GLU 25 Ca 0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1aab h GLU 25 Cb 1.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1aab h GLU 25 CO -0.02 1.00 -0.37 1.25 -0.73 0.00 0.00 179.01 180.14 1aab h HIS 26 N 0.00 0.00 -0.64 0.92 2.76 0.10 -3.31 115.15 114.99 1aab h HIS 26 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1aab h HIS 26 Cb 1.77 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.69 1aab h HIS 26 CO 0.00 0.00 0.39 -0.22 -1.30 0.00 0.00 177.93 176.81 1aab h LYS 27 N 0.00 0.85 0.03 5.26 3.64 -0.15 0.49 116.57 126.70 1aab h LYS 27 Ca 0.00 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.07 1aab h LYS 27 Cb 0.81 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1aab h LYS 27 CO 0.00 0.59 -1.24 -0.22 -2.27 0.00 0.00 179.45 176.31 1aab h LYS 28 N 0.87 0.07 -0.00 1.90 3.64 -1.73 -3.05 116.57 118.27 1aab h LYS 28 Ca 0.23 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1aab h LYS 28 Cb -0.06 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1aab h LYS 28 CO -0.05 0.95 -0.32 1.17 -2.27 0.00 0.00 179.45 178.93 1aab n LYS 29 N -3.33 0.27 -3.04 1.90 4.81 -0.94 -4.34 118.16 113.49 1aab n LYS 29 Ca -0.06 -0.13 -0.15 0.00 -0.87 0.00 0.00 58.31 57.09 1aab n LYS 29 Cb 0.99 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.54 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 -1.25 -0.38 0.30 5.64 8.25 0.17 -4.94 115.22 123.00 1aab n HIS 30 Ca 0.08 -3.35 0.09 0.00 -0.26 0.00 0.00 57.72 54.29 1aab n HIS 30 Cb 0.33 0.03 0.43 0.00 1.12 0.00 0.00 29.99 31.90 1aab n HIS 30 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1aab n PRO 31 N 0.24 0.12 -0.05 -0.41 -0.04 -1.15 -2.58 135.00 131.13 1aab n PRO 31 Ca 0.19 0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 63.97 1aab n PRO 31 Cb 0.69 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 1aab n PRO 31 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1aab n ASP 32 N -2.03 1.30 0.11 3.54 2.03 -1.26 -4.25 116.55 115.99 1aab n ASP 32 Ca 0.01 0.18 0.04 0.00 0.52 0.00 0.00 54.79 55.54 1aab n ASP 32 Cb 0.14 -0.18 0.47 0.00 -0.72 0.00 0.00 41.12 40.83 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aab h ALA 33 N 0.54 1.71 0.00 -1.67 0.00 -1.90 -3.45 119.26 114.48 1aab h ALA 33 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1aab h ALA 33 Cb 2.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1aab h ALA 33 CO 0.04 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.96 1aab n SER 34 N -4.42 -1.76 -2.96 0.00 7.64 -1.23 -3.99 113.62 106.91 1aab n SER 34 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1aab n SER 34 Cb 0.14 -2.40 -0.01 0.00 -1.01 0.00 0.00 64.21 60.94 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 -1.55 -6.17 1.23 0.44 0.31 -1.26 -4.83 118.33 106.50 1aab n VAL 35 Ca 0.00 1.11 0.03 0.00 -0.01 0.00 0.00 64.34 65.46 1aab n VAL 35 Cb 0.15 -4.51 0.08 0.00 -0.91 0.00 0.00 33.84 28.65 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 1.41 1.23 -2.63 4.52 3.02 -1.26 -4.84 115.26 116.71 1aab n ASN 36 Ca -0.06 -2.05 -0.14 0.00 -0.03 0.00 0.00 54.58 52.30 1aab n ASN 36 Cb 0.29 -0.21 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1aab n PHE 37 N 0.06 -1.53 -1.51 3.10 3.72 -1.26 -4.54 117.46 115.51 1aab n PHE 37 Ca 0.06 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1aab n PHE 37 Cb 0.22 -2.78 0.00 0.00 -0.94 0.00 0.00 39.48 35.98 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1aab n SER 38 N -1.91 0.00 -2.32 4.37 7.64 -1.26 -4.88 113.62 115.27 1aab n SER 38 Ca -0.12 -0.77 -0.01 0.00 1.01 0.00 0.00 58.87 58.98 1aab n SER 38 Cb 0.59 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.00 1.09 0.00 1.43 1.02 -1.26 -4.91 120.64 118.01 1aab n GLU 39 Ca 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.87 1aab n GLU 39 Cb 0.19 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.59 -0.99 0.07 -0.32 7.35 -1.26 -4.79 117.46 116.92 1aab n PHE 40 Ca -0.05 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.68 1aab n PHE 40 Cb 0.87 0.50 0.22 0.00 0.35 0.00 0.00 39.48 41.42 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 -2.50 0.21 -0.06 -2.13 3.41 -1.26 0.12 113.62 111.40 1aab n SER 41 Ca 0.00 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1aab n SER 41 Cb 0.00 -0.54 0.23 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.68 0.00 4.33 3.64 -1.91 0.77 116.57 124.08 1aab h LYS 42 Ca 0.00 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1aab h LYS 42 Cb 0.20 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1aab h LYS 42 CO 0.00 0.66 -0.20 0.87 -2.27 0.00 0.00 179.45 178.52 1aab h LYS 43 N 0.65 0.00 -0.67 1.90 6.56 -0.68 -3.08 116.57 121.24 1aab h LYS 43 Ca 0.14 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.81 1aab h LYS 43 Cb 0.34 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.96 1aab h LYS 43 CO 0.01 0.93 0.44 0.00 -2.06 0.00 0.00 179.45 178.77 1aab h SER 45 N 0.59 0.01 0.25 0.00 0.87 -0.94 0.64 113.55 114.97 1aab h SER 45 Ca 0.30 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1aab h SER 45 Cb 0.40 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1aab h SER 45 CO -0.10 0.09 0.00 1.21 -0.53 0.00 0.00 176.83 177.50 1aab n GLU 46 N -5.04 0.10 -0.00 2.24 2.13 -0.45 -1.27 120.64 118.34 1aab n GLU 46 Ca -0.07 0.24 0.07 0.00 0.66 0.00 0.00 57.16 58.05 1aab n GLU 46 Cb 0.07 -1.50 -0.09 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 -1.36 1.86 -0.07 5.31 0.63 0.11 -4.47 116.66 118.68 1aab n ARG 47 Ca 0.04 -0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 56.87 1aab n ARG 47 Cb 0.10 -1.21 -0.02 0.00 0.45 0.00 0.00 32.46 31.77 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 -1.49 0.00 0.19 -0.14 -0.00 0.20 -4.29 117.44 111.91 1aab n TRP 48 Ca 0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.59 1aab n TRP 48 Cb 0.26 -0.41 0.40 0.00 -0.00 0.00 0.00 31.31 31.55 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 -0.83 0.00 0.01 5.87 1.57 -1.44 0.15 116.57 121.91 1aab h LYS 49 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1aab h LYS 49 Cb 0.83 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1aab h LYS 49 CO 0.00 0.00 -1.44 0.00 -0.57 0.00 0.00 179.45 177.44 1aab h THR 50 N 0.00 1.19 -2.03 -0.16 1.03 -1.78 -3.47 112.91 107.68 1aab h THR 50 Ca 0.00 -2.97 -0.19 0.00 -0.01 0.00 0.00 66.41 63.25 1aab h THR 50 Cb 0.68 2.61 0.11 0.00 -1.07 0.00 0.00 68.15 70.48 1aab h THR 50 CO 0.00 0.70 -0.07 0.23 -0.01 0.00 0.00 175.52 176.37 1aab n MET 51 N -3.20 -3.28 -4.17 0.00 2.81 0.54 -5.03 117.12 104.79 1aab n MET 51 Ca -0.11 -0.75 -0.28 0.00 -1.81 0.00 0.00 57.70 54.74 1aab n MET 51 Cb 1.01 -0.94 -0.08 0.00 -0.71 0.00 0.00 33.22 32.50 1aab n MET 51 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aab s SER 52 N -2.61 4.87 0.61 7.83 0.01 -1.26 -4.95 113.70 118.19 1aab s SER 52 Ca 0.34 -0.29 0.27 0.00 1.31 0.00 0.00 55.95 57.58 1aab s SER 52 Cb -0.06 -1.09 1.16 0.00 0.21 0.00 0.00 66.02 66.25 1aab s SER 52 CO 0.28 0.14 1.58 0.00 0.41 0.00 0.00 173.24 175.65 1aab h ALA 53 N 3.12 2.50 0.12 1.44 0.00 -1.96 0.35 119.26 124.84 1aab h ALA 53 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1aab h ALA 53 CO 0.58 -1.20 -0.06 0.87 0.00 0.00 0.00 179.25 179.44 1aab h LYS 54 N 0.00 -0.16 -0.06 0.00 1.57 -1.97 0.90 116.57 116.84 1aab h LYS 54 Ca 0.32 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1aab h LYS 54 Cb 2.02 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1aab h LYS 54 CO -0.00 0.01 -0.16 0.93 -0.57 0.00 0.00 179.45 179.65 1aab h GLU 55 N -0.30 0.22 0.00 3.15 4.39 -0.77 -2.40 114.58 118.87 1aab h GLU 55 Ca -0.02 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1aab h GLU 55 Cb 0.25 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1aab h GLU 55 CO 0.03 0.76 0.00 1.63 -1.16 0.00 0.00 179.01 180.27 1aab n LYS 56 N -4.59 0.24 0.05 2.33 5.02 -0.30 -1.94 118.16 118.97 1aab n LYS 56 Ca -0.08 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1aab n LYS 56 Cb 0.40 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 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 2.08 0.41 2.00 0.72 0.00 0.14 -1.65 103.07 106.76 1aab h GLY 57 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 1aab h GLY 57 CO 0.00 0.85 -0.13 1.70 0.00 0.00 0.00 176.54 178.96 1aab h LYS 58 N -0.25 0.00 0.00 4.80 3.11 -1.30 -1.77 116.57 121.16 1aab h LYS 58 Ca -0.15 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.51 1aab h LYS 58 Cb 1.66 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.86 1aab h LYS 58 CO 0.16 0.13 -1.04 0.74 -2.81 0.00 0.00 179.45 176.63 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.53 -2.89 116.94 114.47 1aab h PHE 59 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1aab h PHE 59 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1aab h PHE 59 CO 0.00 0.79 -0.19 0.93 -0.60 0.00 0.00 178.31 179.25 1aab h GLU 60 N 0.00 0.00 0.04 1.51 4.39 -0.57 -2.26 114.58 117.70 1aab h GLU 60 Ca -0.08 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 1aab h GLU 60 Cb 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1aab h GLU 60 CO 0.09 0.19 -1.04 0.22 -1.16 0.00 0.00 179.01 177.31 1aab h ASP 61 N 0.00 0.49 0.09 1.42 1.82 -1.16 -2.14 116.42 116.94 1aab h ASP 61 Ca -0.00 -0.43 -0.00 0.00 -0.39 0.00 0.00 57.03 56.20 1aab h ASP 61 Cb 0.81 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1aab h ASP 61 CO 0.02 1.26 -0.04 0.24 -1.61 0.00 0.00 179.24 179.12 1aab h MET 62 N 0.18 -0.11 -0.21 0.28 2.86 -1.28 0.25 114.93 116.88 1aab h MET 62 Ca -0.10 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1aab h MET 62 Cb 1.70 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.38 1aab h MET 62 CO 0.18 0.35 0.15 0.00 1.06 0.00 0.00 176.91 178.64 1aab h ALA 63 N 0.20 2.05 -0.04 6.32 0.00 -1.51 0.48 119.26 126.75 1aab h ALA 63 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1aab h ALA 63 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1aab h ALA 63 CO 0.02 -0.09 -0.79 -0.22 0.00 0.00 0.00 179.25 178.17 1aab h LYS 64 N 0.12 0.34 0.00 0.00 3.64 -1.16 -1.15 116.57 118.36 1aab h LYS 64 Ca 0.09 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1aab h LYS 64 Cb 0.23 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1aab h LYS 64 CO -0.01 0.97 -0.31 0.00 -2.27 0.00 0.00 179.45 177.83 1aab h ALA 65 N 0.94 0.89 0.05 5.00 0.00 0.21 -2.95 119.26 123.40 1aab h ALA 65 Ca -0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 1aab h ALA 65 Cb 1.38 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1aab h ALA 65 CO 0.13 0.38 -1.00 0.22 0.00 0.00 0.00 179.25 178.98 1aab h ASP 66 N 0.00 0.80 -0.76 0.00 1.82 0.06 -1.91 116.42 116.44 1aab h ASP 66 Ca -0.00 -0.78 0.11 0.00 -0.39 0.00 0.00 57.03 55.97 1aab h ASP 66 Cb 1.00 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 40.71 1aab h ASP 66 CO 0.04 1.49 0.50 0.50 -1.61 0.00 0.00 179.24 180.16 1aab h LYS 67 N 0.21 0.59 0.07 0.28 3.64 -1.08 0.71 116.57 120.99 1aab h LYS 67 Ca -0.14 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 58.95 1aab h LYS 67 Cb 1.68 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 33.40 1aab h LYS 67 CO 0.20 0.39 -1.03 0.00 -2.27 0.00 0.00 179.45 176.73 1aab h ALA 68 N 1.63 0.04 0.00 5.00 0.00 -1.44 -3.17 119.26 121.31 1aab h ALA 68 Ca 0.36 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1aab h ALA 68 Cb 0.57 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1aab h ALA 68 CO -0.13 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 1aab h ARG 69 N 0.18 0.00 -0.65 0.00 3.08 -0.43 0.34 114.38 116.90 1aab h ARG 69 Ca -0.15 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1aab h ARG 69 Cb 1.72 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.74 1aab h ARG 69 CO 0.20 0.12 0.17 -0.92 -1.07 0.00 0.00 179.97 178.46 1aab h TYR 70 N 0.00 1.08 0.00 3.04 5.03 -0.88 -0.73 116.97 124.51 1aab h TYR 70 Ca -0.00 -0.13 -0.18 0.00 2.58 0.00 0.00 58.73 61.00 1aab h TYR 70 Cb 0.23 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 1aab h TYR 70 CO 0.00 0.89 -1.14 0.93 -1.32 0.00 0.00 178.16 177.52 1aab h GLU 71 N 0.96 0.00 0.03 1.82 5.08 -1.42 -3.29 114.58 117.76 1aab h GLU 71 Ca 0.20 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.35 1aab h GLU 71 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1aab h GLU 71 CO 0.00 0.52 -1.00 0.00 -1.00 0.00 0.00 179.01 177.54 1aab h ARG 72 N 0.00 0.18 0.00 2.33 2.47 -0.86 -3.20 114.38 115.30 1aab h ARG 72 Ca -0.11 -0.24 -0.10 0.00 -1.26 0.00 0.00 59.98 58.27 1aab h ARG 72 Cb 1.65 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 30.03 1aab h ARG 72 CO 0.07 1.03 -0.47 0.93 0.56 0.00 0.00 179.97 182.09 1aab h GLU 73 N 0.08 0.00 0.00 0.04 5.08 -1.26 -2.11 114.58 116.41 1aab h GLU 73 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1aab h GLU 73 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1aab h GLU 73 CO 0.15 0.47 0.00 0.52 -1.00 0.00 0.00 179.01 179.16 1aab h MET 74 N 0.00 0.00 0.00 2.33 2.86 -1.62 -0.36 114.93 118.14 1aab h MET 74 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 74 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1aab h MET 74 CO 0.06 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.20 1aab n LYS 75 N -2.32 0.74 -0.07 1.72 4.81 -0.79 -3.66 118.16 118.59 1aab n LYS 75 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1aab n LYS 75 Cb 0.05 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1aab n THR 76 N -0.71 0.00 0.00 3.15 5.66 -0.21 -5.05 114.28 117.11 1aab n THR 76 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1aab n THR 76 Cb 0.03 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aab n TYR 77 N 0.00 0.00 -3.16 1.09 9.36 -0.79 -4.96 117.16 118.71 1aab n TYR 77 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 1aab n TYR 77 Cb 0.40 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.11 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 -0.08 -2.02 -0.51 2.97 -0.00 -1.26 -4.91 119.36 113.55 1aab n ILE 78 Ca 0.00 0.44 -0.29 0.00 -0.00 0.00 0.00 62.75 62.90 1aab n ILE 78 Cb 0.00 -2.99 0.24 0.00 -0.00 0.00 0.00 39.64 36.90 1aab n ILE 78 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1aab n PRO 79 N 1.50 -2.18 0.00 0.38 -0.02 -1.26 -5.01 135.00 128.41 1aab n PRO 79 Ca -0.00 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 1aab n PRO 79 Cb 0.41 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1aab n PRO 79 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aab n PRO 80 N -4.80 0.47 -1.99 0.52 -0.04 -1.26 -4.73 135.00 123.17 1aab n PRO 80 Ca 0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.25 1aab n PRO 80 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.64 2.32 0.00 0.54 1.02 -1.26 -4.74 119.74 116.98 1aab s LYS 81 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1aab s LYS 81 Cb 0.00 -5.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.17 1aab s LYS 81 CO 0.00 -4.00 0.89 0.41 -0.92 0.00 0.00 175.35 171.73 1aab n GLY 82 N 6.21 1.66 0.00 -3.33 0.00 -1.26 -5.35 105.19 103.12 1aab n GLY 82 Ca 0.43 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.51 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50