#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 -2.17 1.61 4.81 -1.26 -4.97 118.16 116.18 1aab n LYS 2 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1aab n LYS 2 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aab n GLY 3 N -0.65 3.34 3.55 3.14 0.00 -1.26 -4.51 105.19 108.81 1aab n GLY 3 Ca 0.00 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 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 7.55 -5.85 -4.56 1.61 8.00 -1.26 -4.78 116.55 117.26 1aab n ASP 4 Ca 0.50 -0.72 -0.32 0.00 0.71 0.00 0.00 54.79 54.97 1aab n ASP 4 Cb 0.43 -3.17 -0.04 0.00 -0.02 0.00 0.00 41.12 38.31 1aab n ASP 4 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1aab s PRO 5 N -4.67 2.57 -0.55 -0.24 0.04 -1.26 -3.75 135.00 127.14 1aab s PRO 5 Ca 0.13 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1aab s PRO 5 Cb -0.05 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1aab s PRO 5 CO 0.85 -3.12 0.00 1.63 0.04 0.00 0.00 177.00 176.40 1aab n LYS 6 N 9.00 -1.57 -0.81 4.56 5.02 -1.26 -4.86 118.16 128.23 1aab n LYS 6 Ca 0.32 0.41 -0.33 0.00 -2.02 0.00 0.00 58.31 56.69 1aab n LYS 6 Cb 0.49 -4.24 0.12 0.00 -0.02 0.00 0.00 35.03 31.37 1aab n LYS 6 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1aab n LYS 7 N -0.68 -0.39 -1.52 1.97 5.02 -1.25 -4.70 118.16 116.62 1aab n LYS 7 Ca -0.05 -0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 1aab n LYS 7 Cb 0.28 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1aab n PRO 8 N -1.21 0.91 0.00 1.97 -0.02 -1.26 -4.91 135.00 130.48 1aab n PRO 8 Ca 0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1aab n PRO 8 Cb 0.55 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 0.62 0.00 0.00 -0.52 0.63 -1.26 -4.93 116.66 111.20 1aab n ARG 9 Ca 0.11 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1aab n ARG 9 Cb 0.35 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.06 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 -0.89 1.29 3.41 5.14 0.00 -1.26 -5.08 105.19 107.81 1aab n GLY 10 Ca 0.00 0.45 -0.49 0.00 0.00 0.00 0.00 46.02 45.98 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 0.51 -0.90 1.61 2.85 -1.26 -4.88 118.16 116.09 1aab n LYS 11 Ca 0.00 0.10 -0.32 0.00 -1.05 0.00 0.00 58.31 57.05 1aab n LYS 11 Cb 0.00 -2.07 0.15 0.00 -0.65 0.00 0.00 35.03 32.46 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 7.07 1.34 0.69 -1.58 -1.94 -1.26 -4.93 119.30 118.69 1aab s MET 12 Ca 1.18 1.61 -0.09 0.00 -1.71 0.00 0.00 55.69 56.68 1aab s MET 12 Cb -1.06 -1.76 0.04 0.00 2.01 0.00 0.00 34.83 34.06 1aab s MET 12 CO 0.51 -2.41 1.04 0.45 -0.01 0.00 0.00 175.02 174.60 1aab s SER 13 N -2.51 5.14 0.49 3.03 0.15 -1.26 -4.71 113.70 114.03 1aab s SER 13 Ca 0.69 0.78 0.16 0.00 0.70 0.00 0.00 55.95 58.27 1aab s SER 13 Cb -0.25 -1.53 1.18 0.00 -1.71 0.00 0.00 66.02 63.71 1aab s SER 13 CO 0.55 -1.44 2.09 -1.28 1.20 0.00 0.00 173.24 174.36 1aab h SER 14 N -0.59 0.00 -0.00 5.45 0.87 -1.92 -1.29 113.55 116.07 1aab h SER 14 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 1aab h SER 14 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1aab h SER 14 CO 0.62 0.07 -0.09 0.22 -0.53 0.00 0.00 176.83 177.13 1aab h TYR 15 N 0.00 0.10 -0.28 2.24 3.20 -1.92 -2.93 116.97 117.37 1aab h TYR 15 Ca -0.00 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.90 1aab h TYR 15 Cb 0.13 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1aab h TYR 15 CO 0.00 0.83 0.29 0.00 -1.64 0.00 0.00 178.16 177.64 1aab h ALA 16 N 0.25 1.98 -0.02 1.82 0.00 -1.80 0.51 119.26 121.99 1aab h ALA 16 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 16 Cb 0.85 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1aab h ALA 16 CO 0.02 -0.44 -0.71 0.74 0.00 0.00 0.00 179.25 178.86 1aab h PHE 17 N 0.00 0.17 0.00 0.00 0.04 -1.13 -1.75 116.94 114.27 1aab h PHE 17 Ca 0.13 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1aab h PHE 17 Cb 0.71 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1aab h PHE 17 CO 0.00 0.79 0.00 0.35 -0.60 0.00 0.00 178.31 178.85 1aab h PHE 18 N 0.08 0.00 0.01 -0.55 3.04 0.13 -2.92 116.94 116.73 1aab h PHE 18 Ca -0.02 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 1aab h PHE 18 Cb 1.25 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1aab h PHE 18 CO 0.01 0.00 -0.39 0.28 -2.02 0.00 0.00 178.31 176.20 1aab h VAL 19 N 0.00 1.54 -0.03 1.41 2.07 -0.68 -1.65 116.25 118.91 1aab h VAL 19 Ca 0.00 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.22 1aab h VAL 19 Cb 0.76 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1aab h VAL 19 CO 0.00 0.54 0.05 0.06 0.02 0.00 0.00 177.57 178.24 1aab h GLN 20 N -0.96 0.00 0.10 1.57 -0.00 -1.38 1.09 115.11 115.53 1aab h GLN 20 Ca -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.29 1aab h GLN 20 Cb 1.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1aab h GLN 20 CO -0.05 0.00 -1.19 1.15 -0.00 0.00 0.00 178.83 178.74 1aab h THR 21 N 0.00 1.52 0.00 1.86 2.02 -1.51 -3.06 112.91 113.75 1aab h THR 21 Ca 0.01 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.12 1aab h THR 21 Cb 0.12 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1aab h THR 21 CO -0.00 0.90 -0.39 -1.20 0.37 0.00 0.00 175.52 175.20 1aab n SER 22 N -3.52 0.74 0.09 4.18 7.64 0.11 -3.69 113.62 119.17 1aab n SER 22 Ca -0.07 0.29 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 1aab n SER 22 Cb 1.00 -0.20 -0.07 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 -0.29 -0.25 1.43 2.43 0.10 0.16 114.38 117.96 1aab h ARG 23 Ca 0.00 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1aab h ARG 23 Cb 0.74 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1aab h ARG 23 CO 0.00 0.08 0.18 0.93 -1.51 0.00 0.00 179.97 179.65 1aab h GLU 24 N -0.88 0.00 0.03 0.20 5.08 -1.67 0.25 114.58 117.60 1aab h GLU 24 Ca -0.03 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1aab h GLU 24 Cb 0.51 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1aab h GLU 24 CO 0.05 0.00 -0.97 0.93 -1.00 0.00 0.00 179.01 178.02 1aab h GLU 25 N 0.00 0.23 0.00 2.33 5.08 -1.61 -3.15 114.58 117.45 1aab h GLU 25 Ca 0.12 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1aab h GLU 25 Cb 0.47 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1aab h GLU 25 CO -0.00 1.03 -0.44 1.25 -1.00 0.00 0.00 179.01 179.85 1aab h HIS 26 N 0.11 0.00 0.00 4.33 -0.00 0.20 -2.95 115.15 116.84 1aab h HIS 26 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1aab h HIS 26 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 1aab h HIS 26 CO 0.04 0.44 0.00 -0.22 -0.00 0.00 0.00 177.93 178.19 1aab h LYS 27 N 0.00 0.00 0.00 5.26 3.64 -0.60 -2.01 116.57 122.86 1aab h LYS 27 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1aab h LYS 27 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1aab h LYS 27 CO 0.06 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.87 1aab n LYS 28 N -2.45 0.51 -2.67 1.90 5.02 -1.11 -4.00 118.16 115.36 1aab n LYS 28 Ca 0.00 0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1aab n LYS 28 Cb 0.15 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.78 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1aab n LYS 29 N -1.19 1.29 -2.87 1.97 2.85 -0.77 -5.02 118.16 114.42 1aab n LYS 29 Ca 0.15 -1.42 -0.12 0.00 -1.05 0.00 0.00 58.31 55.87 1aab n LYS 29 Cb 0.16 0.25 0.02 0.00 -0.65 0.00 0.00 35.03 34.81 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1aab n HIS 30 N -1.19 -2.60 -1.99 5.58 8.25 -1.16 -5.04 115.22 117.08 1aab n HIS 30 Ca -0.12 -2.21 -0.32 0.00 -0.26 0.00 0.00 57.72 54.81 1aab n HIS 30 Cb 0.86 1.07 -0.04 0.00 1.12 0.00 0.00 29.99 33.00 1aab n HIS 30 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1aab s PRO 31 N 0.23 2.50 -1.46 -0.41 0.04 -1.26 -3.24 135.00 131.40 1aab s PRO 31 Ca 0.33 0.24 -0.09 0.00 0.04 0.00 0.00 61.00 61.51 1aab s PRO 31 Cb 0.21 -4.73 0.04 0.00 0.04 0.00 0.00 34.50 30.06 1aab s PRO 31 CO -0.21 -3.16 0.82 -3.47 0.04 0.00 0.00 177.00 171.03 1aab n ASP 32 N 13.83 -5.41 0.00 6.66 -0.08 -1.26 -4.91 116.55 125.37 1aab n ASP 32 Ca 0.32 -0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1aab n ASP 32 Cb 0.49 -4.34 0.00 0.00 2.34 0.00 0.00 41.12 39.62 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aab n ALA 33 N -4.20 0.00 -1.99 -1.67 0.00 -1.20 -4.76 120.51 106.69 1aab n ALA 33 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1aab n ALA 33 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1aab n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aab n SER 34 N -0.52 0.00 -4.69 0.00 7.64 -1.26 -5.11 113.62 109.68 1aab n SER 34 Ca 0.00 -1.15 -0.42 0.00 1.01 0.00 0.00 58.87 58.31 1aab n SER 34 Cb 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 1aab n SER 34 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1aab s VAL 35 N 0.00 2.70 0.00 0.44 1.01 -1.26 -4.60 120.40 118.69 1aab s VAL 35 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1aab s VAL 35 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1aab s VAL 35 CO 0.00 -0.00 0.65 0.59 0.00 0.00 0.00 175.10 176.34 1aab n ASN 36 N 5.65 -0.06 -2.94 3.32 3.02 -1.26 -4.98 115.26 118.01 1aab n ASN 36 Ca 0.17 -1.30 -0.18 0.00 -0.03 0.00 0.00 54.58 53.24 1aab n ASN 36 Cb 0.39 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.01 -1.66 -1.82 3.10 3.01 -1.26 -4.62 117.46 114.22 1aab n PHE 37 Ca -0.02 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1aab n PHE 37 Cb 0.57 -2.96 0.00 0.00 -0.01 0.00 0.00 39.48 37.08 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1aab n SER 38 N -2.10 0.00 0.00 4.37 2.88 -1.26 -4.90 113.62 112.62 1aab n SER 38 Ca -0.08 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1aab n SER 38 Cb 0.58 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1aab n SER 38 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1aab n GLU 39 N 0.00 1.00 -0.08 -1.46 2.13 -1.26 -4.93 120.64 116.04 1aab n GLU 39 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1aab n GLU 39 Cb 0.50 -0.08 -0.12 0.00 0.27 0.00 0.00 31.44 32.01 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1aab h PHE 40 N 0.00 0.06 0.00 4.31 3.57 -1.91 -3.30 116.94 119.67 1aab h PHE 40 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1aab h PHE 40 Cb 0.00 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1aab h PHE 40 CO 0.00 1.40 0.22 0.66 -2.23 0.00 0.00 178.31 178.36 1aab h SER 41 N -0.89 0.00 -0.29 0.41 4.64 -1.92 0.49 113.55 115.99 1aab h SER 41 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1aab h SER 41 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1aab h SER 41 CO -0.13 0.00 0.13 0.50 -0.87 0.00 0.00 176.83 176.46 1aab h LYS 42 N 0.00 0.49 0.24 4.77 3.64 -1.92 0.15 116.57 123.94 1aab h LYS 42 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1aab h LYS 42 Cb 0.45 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1aab h LYS 42 CO 0.00 0.42 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.26 1aab h LYS 43 N 0.49 -0.32 -1.00 1.90 3.64 -0.19 -2.93 116.57 118.16 1aab h LYS 43 Ca 0.12 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1aab h LYS 43 Cb 0.12 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1aab h LYS 43 CO -0.01 0.00 0.63 0.00 -2.27 0.00 0.00 179.45 177.81 1aab h SER 45 N 1.08 -0.68 0.13 0.00 0.87 -0.76 0.64 113.55 114.82 1aab h SER 45 Ca 0.46 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1aab h SER 45 Cb 0.32 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1aab h SER 45 CO -0.22 -0.30 0.00 -0.62 -0.53 0.00 0.00 176.83 175.16 1aab n GLU 46 N -5.36 0.07 -0.00 2.24 1.02 -0.83 -0.66 120.64 117.12 1aab n GLU 46 Ca -0.05 0.51 0.08 0.00 -0.02 0.00 0.00 57.16 57.69 1aab n GLU 46 Cb 0.27 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aab n ARG 47 N -1.85 1.11 -0.07 3.49 0.63 0.11 -4.45 116.66 115.63 1aab n ARG 47 Ca 0.00 -0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1aab n ARG 47 Cb 0.05 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 31.59 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 -1.42 0.00 0.18 -0.14 -0.00 0.18 -4.29 117.44 111.94 1aab n TRP 48 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.59 1aab n TRP 48 Cb 0.28 -0.47 0.33 0.00 -0.00 0.00 0.00 31.31 31.44 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 -0.79 0.00 0.13 5.87 1.79 -1.39 0.13 116.57 122.31 1aab h LYS 49 Ca -0.11 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.03 1aab h LYS 49 Cb 0.93 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1aab h LYS 49 CO -0.07 0.00 -1.72 0.00 -1.08 0.00 0.00 179.45 176.59 1aab h THR 50 N 0.00 0.94 -2.64 -0.16 1.03 -1.78 -3.48 112.91 106.82 1aab h THR 50 Ca 0.00 -2.60 -0.39 0.00 -0.01 0.00 0.00 66.41 63.41 1aab h THR 50 Cb 0.79 2.67 0.21 0.00 -1.07 0.00 0.00 68.15 70.74 1aab h THR 50 CO 0.00 0.81 -0.41 0.23 -0.01 0.00 0.00 175.52 176.14 1aab n MET 51 N -3.46 -2.85 -3.67 0.00 2.81 0.46 -5.01 117.12 105.41 1aab n MET 51 Ca -0.22 -0.83 -0.24 0.00 -1.81 0.00 0.00 57.70 54.60 1aab n MET 51 Cb 1.05 -1.86 -0.02 0.00 -0.71 0.00 0.00 33.22 31.69 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 -2.32 6.33 0.35 7.83 0.15 -1.26 -4.94 113.70 119.85 1aab s SER 52 Ca 0.60 0.31 0.20 0.00 0.70 0.00 0.00 55.95 57.75 1aab s SER 52 Cb -0.15 -1.97 1.09 0.00 -1.71 0.00 0.00 66.02 63.28 1aab s SER 52 CO 0.59 -0.14 1.57 0.00 1.20 0.00 0.00 173.24 176.46 1aab h ALA 53 N 1.27 1.09 0.53 5.45 0.00 -1.94 -1.39 119.26 124.26 1aab h ALA 53 Ca -0.50 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1aab h ALA 53 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1aab h ALA 53 CO 0.63 -0.09 -0.26 0.87 0.00 0.00 0.00 179.25 180.41 1aab h LYS 54 N 0.00 -0.69 -0.26 0.00 1.57 -1.97 0.53 116.57 115.75 1aab h LYS 54 Ca 0.00 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1aab h LYS 54 Cb 0.25 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1aab h LYS 54 CO 0.00 -0.38 -0.18 0.93 -0.57 0.00 0.00 179.45 179.24 1aab h GLU 55 N -0.94 0.59 0.00 3.15 5.08 -1.68 -1.55 114.58 119.23 1aab h GLU 55 Ca -0.07 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1aab h GLU 55 Cb 0.62 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1aab h GLU 55 CO 0.12 0.86 0.00 1.63 -1.00 0.00 0.00 179.01 180.62 1aab n LYS 56 N -4.40 0.22 0.11 2.33 5.02 -0.65 -1.91 118.16 118.88 1aab n LYS 56 Ca -0.04 0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 1aab n LYS 56 Cb 0.40 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 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 2.28 0.56 2.00 0.72 0.00 0.11 -2.20 103.07 106.55 1aab h GLY 57 Ca 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 47.33 45.88 1aab h GLY 57 CO 0.00 1.22 -0.27 1.70 0.00 0.00 0.00 176.54 179.18 1aab h LYS 58 N 0.03 0.00 0.00 4.80 3.11 -1.26 -1.94 116.57 121.32 1aab h LYS 58 Ca -0.22 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.51 1aab h LYS 58 Cb 1.99 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.20 1aab h LYS 58 CO 0.24 0.27 -0.56 0.74 -2.81 0.00 0.00 179.45 177.33 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.54 -2.58 116.94 114.77 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 0.78 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 1aab h PHE 59 CO 0.00 0.56 -0.42 0.93 -0.60 0.00 0.00 178.31 178.78 1aab h GLU 60 N 0.00 0.00 -0.18 1.51 4.39 -0.72 -1.43 114.58 118.15 1aab h GLU 60 Ca -0.01 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1aab h GLU 60 Cb 1.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 1aab h GLU 60 CO 0.07 0.42 -0.40 0.22 -1.16 0.00 0.00 179.01 178.16 1aab h ASP 61 N 0.00 0.44 -0.00 1.42 3.58 -0.97 0.17 116.42 121.06 1aab h ASP 61 Ca -0.00 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 1aab h ASP 61 Cb 1.05 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1aab h ASP 61 CO 0.05 0.80 -0.03 0.24 -2.88 0.00 0.00 179.24 177.42 1aab h MET 62 N 0.35 0.02 -0.04 0.28 2.86 -1.34 -1.79 114.93 115.27 1aab h MET 62 Ca 0.03 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1aab h MET 62 Cb 0.86 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1aab h MET 62 CO 0.07 0.78 0.04 0.00 1.06 0.00 0.00 176.91 178.86 1aab h ALA 63 N 0.24 1.63 0.00 6.32 0.00 -1.20 0.38 119.26 126.63 1aab h ALA 63 Ca -0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 63 Cb 0.79 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1aab h ALA 63 CO 0.01 -0.06 -0.63 -0.22 0.00 0.00 0.00 179.25 178.34 1aab h LYS 64 N 0.00 0.00 -0.02 0.00 3.64 -0.51 -1.55 116.57 118.13 1aab h LYS 64 Ca 0.02 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1aab h LYS 64 Cb 0.10 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1aab h LYS 64 CO -0.00 0.63 -0.97 0.00 -2.27 0.00 0.00 179.45 176.84 1aab h ALA 65 N 1.37 0.25 -0.22 5.00 0.00 0.57 -3.07 119.26 123.16 1aab h ALA 65 Ca -0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 1aab h ALA 65 Cb 1.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1aab h ALA 65 CO 0.08 0.74 -0.39 0.22 0.00 0.00 0.00 179.25 179.90 1aab h ASP 66 N 0.34 0.54 -0.91 0.00 1.82 -1.04 -2.37 116.42 114.79 1aab h ASP 66 Ca -0.10 -0.23 0.14 0.00 -0.39 0.00 0.00 57.03 56.45 1aab h ASP 66 Cb 1.61 -0.15 -0.07 0.00 0.68 0.00 0.00 39.33 41.40 1aab h ASP 66 CO 0.18 0.87 0.58 0.50 -1.61 0.00 0.00 179.24 179.77 1aab h LYS 67 N 0.43 0.74 -0.10 0.28 3.64 -1.19 -0.40 116.57 119.96 1aab h LYS 67 Ca 0.04 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1aab h LYS 67 Cb 0.86 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1aab h LYS 67 CO 0.07 0.49 -0.40 0.00 -2.27 0.00 0.00 179.45 177.34 1aab h ALA 68 N 1.59 0.18 -0.43 5.00 0.00 -1.38 -1.90 119.26 122.32 1aab h ALA 68 Ca 0.46 -0.47 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1aab h ALA 68 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1aab h ALA 68 CO -0.22 0.29 0.32 0.00 0.00 0.00 0.00 179.25 179.65 1aab h ARG 69 N 0.01 0.00 0.00 0.00 2.47 -0.71 0.42 114.38 116.57 1aab h ARG 69 Ca -0.02 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 1aab h ARG 69 Cb 1.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 1aab h ARG 69 CO 0.08 0.00 -0.24 -0.92 0.56 0.00 0.00 179.97 179.45 1aab h TYR 70 N 0.00 0.00 0.10 3.04 5.03 -1.01 -3.31 116.97 120.83 1aab h TYR 70 Ca 0.21 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 1aab h TYR 70 Cb 0.85 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.13 1aab h TYR 70 CO 0.00 0.81 -0.05 0.93 -1.32 0.00 0.00 178.16 178.53 1aab h GLU 71 N -1.00 -0.13 -0.95 1.82 5.08 -1.03 -3.14 114.58 115.23 1aab h GLU 71 Ca -0.06 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.59 1aab h GLU 71 Cb 0.81 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 1aab h GLU 71 CO -0.04 0.38 0.76 -0.09 -1.00 0.00 0.00 179.01 179.02 1aab h ARG 72 N -0.84 0.00 0.00 2.33 2.43 -0.39 0.20 114.38 118.12 1aab h ARG 72 Ca -0.01 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1aab h ARG 72 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1aab h ARG 72 CO 0.02 0.00 -1.12 0.93 -1.51 0.00 0.00 179.97 178.30 1aab h GLU 73 N 0.00 0.00 0.00 0.20 5.08 -1.64 -3.21 114.58 115.00 1aab h GLU 73 Ca 0.45 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1aab h GLU 73 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1aab h GLU 73 CO -0.00 0.92 0.00 -1.33 -1.00 0.00 0.00 179.01 177.59 1aab n MET 74 N -3.30 0.23 0.00 2.33 2.81 0.71 -2.86 117.12 117.04 1aab n MET 74 Ca -0.03 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1aab n MET 74 Cb 0.96 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 1aab n MET 74 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1aab n LYS 75 N -1.15 0.00 -0.01 0.03 2.85 -1.22 -2.73 118.16 115.94 1aab n LYS 75 Ca 0.06 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 1aab n LYS 75 Cb 0.06 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1aab n THR 76 N -1.26 0.00 -2.79 0.58 5.66 -1.14 -5.09 114.28 110.24 1aab n THR 76 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1aab n THR 76 Cb 0.02 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 -3.21 -3.64 1.09 9.36 -1.10 -4.98 117.16 114.68 1aab n TYR 77 Ca 0.00 1.60 -0.39 0.00 3.32 0.00 0.00 57.90 62.43 1aab n TYR 77 Cb 0.37 -3.28 -0.10 0.00 -0.63 0.00 0.00 39.34 35.70 1aab n TYR 77 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1aab s ILE 78 N -1.12 3.89 0.19 2.97 1.01 -1.25 -5.00 121.20 121.89 1aab s ILE 78 Ca -0.08 -1.79 -0.12 0.00 0.00 0.00 0.00 60.65 58.66 1aab s ILE 78 Cb 0.01 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 39.03 1aab s ILE 78 CO 0.60 -0.68 1.79 -0.65 0.00 0.00 0.00 174.94 176.01 1aab h PRO 79 N 8.30 0.55 0.00 2.79 0.11 -1.89 -3.44 132.00 138.42 1aab h PRO 79 Ca -0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1aab h PRO 79 Cb 1.07 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1aab h PRO 79 CO 0.78 0.36 0.00 -0.35 -0.21 0.00 0.00 178.00 178.58 1aab n PRO 80 N -4.85 0.09 -2.29 1.05 -0.04 -1.26 -4.76 135.00 122.94 1aab n PRO 80 Ca 0.06 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1aab n PRO 80 Cb 0.14 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.63 1aab n PRO 80 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 81 N -0.72 4.19 -2.49 0.54 5.02 -1.26 -4.83 118.16 118.61 1aab n LYS 81 Ca 0.00 -4.09 -0.05 0.00 -2.02 0.00 0.00 58.31 52.15 1aab n LYS 81 Cb 0.00 -2.38 0.01 0.00 -0.02 0.00 0.00 35.03 32.64 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 82 N -0.21 -1.13 0.00 0.72 0.00 -1.26 -5.24 105.19 98.08 1aab n GLY 82 Ca 0.50 0.82 0.06 0.00 0.00 0.00 0.00 46.02 47.41 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11