#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 -4.99 118.16 118.54 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 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 -2.03 3.38 0.72 0.00 -1.26 -5.17 105.19 100.83 1aab n GLY 3 Ca 0.00 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.48 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 1.66 -0.42 0.00 1.61 1.01 -1.26 -5.00 116.67 114.27 1aab s ASP 4 Ca 0.00 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.68 1aab s ASP 4 Cb 0.00 0.43 0.11 0.00 1.01 0.00 0.00 42.92 44.47 1aab s ASP 4 CO 0.00 -0.52 0.39 -0.81 0.21 0.00 0.00 175.17 174.44 1aab n PRO 5 N 1.12 0.12 -3.18 8.23 -0.04 -1.26 -3.54 135.00 136.45 1aab n PRO 5 Ca -0.20 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.07 1aab n PRO 5 Cb 0.56 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.73 1aab n PRO 5 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1aab s LYS 6 N -2.00 0.94 0.12 0.54 -2.85 -1.26 -5.02 119.74 110.21 1aab s LYS 6 Ca 0.03 -1.66 -0.25 0.00 -1.00 0.00 0.00 55.97 53.08 1aab s LYS 6 Cb 0.01 -0.90 -0.05 0.00 -2.06 0.00 0.00 37.83 34.84 1aab s LYS 6 CO 0.02 -1.35 1.64 -0.22 0.10 0.00 0.00 175.35 175.54 1aab h LYS 7 N 5.54 -0.36 -5.69 1.78 1.63 -1.98 -3.33 116.57 114.16 1aab h LYS 7 Ca 0.18 0.02 -0.31 0.00 -0.85 0.00 0.00 60.65 59.69 1aab h LYS 7 Cb 0.99 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.65 1aab h LYS 7 CO 0.23 -0.24 0.82 -1.25 -3.45 0.00 0.00 179.45 175.57 1aab s PRO 8 N -6.07 2.59 -0.78 1.90 0.04 -1.26 -4.88 135.00 126.54 1aab s PRO 8 Ca -0.15 -0.47 -0.25 0.00 0.04 0.00 0.00 61.00 60.17 1aab s PRO 8 Cb 0.09 -5.10 -0.05 0.00 0.04 0.00 0.00 34.50 29.47 1aab s PRO 8 CO 0.66 -3.42 2.02 0.50 0.04 0.00 0.00 177.00 176.80 1aab s ARG 9 N 6.83 2.41 0.00 4.56 3.00 -1.25 -4.63 118.95 129.86 1aab s ARG 9 Ca 0.69 0.19 0.00 0.00 -1.00 0.00 0.00 55.73 55.61 1aab s ARG 9 Cb -0.05 -4.81 0.00 0.00 0.00 0.00 0.00 34.95 30.09 1aab s ARG 9 CO 0.01 -3.35 0.00 0.41 0.00 0.00 0.00 175.30 172.37 1aab n GLY 10 N 6.47 3.39 3.34 8.12 0.00 -1.26 -4.97 105.19 120.28 1aab n GLY 10 Ca 0.35 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1aab n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aab n LYS 11 N 0.00 -1.59 -2.05 1.61 0.00 -1.26 -4.84 118.16 110.03 1aab n LYS 11 Ca 0.00 0.07 -0.36 0.00 0.00 0.00 0.00 58.31 58.03 1aab n LYS 11 Cb 0.00 -4.02 0.03 0.00 0.00 0.00 0.00 35.03 31.04 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 -5.55 3.05 0.71 1.64 -1.94 -1.26 -5.00 119.30 110.95 1aab s MET 12 Ca 0.42 1.75 -0.11 0.00 -1.71 0.00 0.00 55.69 56.04 1aab s MET 12 Cb -0.25 -1.95 0.01 0.00 2.01 0.00 0.00 34.83 34.66 1aab s MET 12 CO 0.52 -1.13 1.07 -1.12 -0.01 0.00 0.00 175.02 174.35 1aab s SER 13 N -1.70 5.34 0.59 3.03 0.01 -1.26 -4.75 113.70 114.96 1aab s SER 13 Ca 0.76 1.42 0.29 0.00 1.31 0.00 0.00 55.95 59.72 1aab s SER 13 Cb -0.28 -2.28 1.65 0.00 0.21 0.00 0.00 66.02 65.32 1aab s SER 13 CO 0.32 -1.44 2.09 0.28 0.41 0.00 0.00 173.24 174.90 1aab h SER 14 N -0.72 0.00 0.00 2.44 0.02 -1.93 -0.27 113.55 113.10 1aab h SER 14 Ca -0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1aab h SER 14 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1aab h SER 14 CO 0.60 0.00 -0.00 0.22 -1.14 0.00 0.00 176.83 176.50 1aab h TYR 15 N 0.00 -0.01 -0.27 3.45 3.20 -1.90 -2.96 116.97 118.49 1aab h TYR 15 Ca 0.09 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.04 1aab h TYR 15 Cb 0.52 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1aab h TYR 15 CO 0.00 0.85 0.26 0.00 -1.64 0.00 0.00 178.16 177.63 1aab h ALA 16 N 0.07 1.99 0.00 1.82 0.00 -1.58 0.45 119.26 122.01 1aab h ALA 16 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 16 Cb 0.85 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1aab h ALA 16 CO 0.00 -0.40 -0.64 0.74 0.00 0.00 0.00 179.25 178.95 1aab h PHE 17 N 0.00 0.00 0.00 0.00 -1.00 -1.06 -1.41 116.94 113.47 1aab h PHE 17 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1aab h PHE 17 Cb 0.65 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.21 1aab h PHE 17 CO 0.00 0.64 0.00 0.35 -1.61 0.00 0.00 178.31 177.69 1aab h PHE 18 N 0.00 0.00 0.04 -0.55 3.04 0.00 -2.93 116.94 116.54 1aab h PHE 18 Ca -0.01 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.79 1aab h PHE 18 Cb 1.20 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1aab h PHE 18 CO 0.00 0.00 -0.81 0.28 -2.02 0.00 0.00 178.31 175.76 1aab h VAL 19 N 0.00 1.31 -0.15 1.41 2.07 -0.70 -2.60 116.25 117.60 1aab h VAL 19 Ca 0.00 -2.32 0.04 0.00 0.82 0.00 0.00 66.70 65.25 1aab h VAL 19 Cb 0.81 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1aab h VAL 19 CO 0.00 0.54 0.16 0.06 0.02 0.00 0.00 177.57 178.35 1aab h GLN 20 N -0.79 0.00 0.01 1.57 -0.00 -1.32 0.86 115.11 115.43 1aab h GLN 20 Ca -0.20 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.26 1aab h GLN 20 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.79 1aab h GLN 20 CO -0.05 0.00 -0.88 1.15 -0.00 0.00 0.00 178.83 179.05 1aab h THR 21 N 0.00 1.53 -0.17 1.86 2.02 -1.54 -3.07 112.91 113.53 1aab h THR 21 Ca 0.07 -2.73 -0.19 0.00 0.77 0.00 0.00 66.41 64.33 1aab h THR 21 Cb 0.39 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1aab h THR 21 CO -0.00 0.79 -0.65 0.28 0.37 0.00 0.00 175.52 176.31 1aab h SER 22 N 0.07 0.75 -1.00 4.18 0.02 0.10 -3.03 113.55 114.65 1aab h SER 22 Ca -0.04 -0.45 0.14 0.00 -0.84 0.00 0.00 61.79 60.61 1aab h SER 22 Cb 1.52 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 1aab h SER 22 CO 0.13 1.21 0.62 0.03 -1.14 0.00 0.00 176.83 177.68 1aab h ARG 23 N 0.48 0.89 -0.71 3.45 3.08 -0.79 0.68 114.38 121.45 1aab h ARG 23 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1aab h ARG 23 Cb 1.24 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1aab h ARG 23 CO 0.13 0.59 0.00 0.39 -1.07 0.00 0.00 179.97 180.00 1aab n GLU 24 N -4.65 0.66 0.00 0.04 1.02 -1.14 -1.54 120.64 115.03 1aab n GLU 24 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1aab n GLU 24 Cb 0.42 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1aab n GLU 24 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1aab n GLU 25 N 0.21 2.79 -0.08 3.49 2.13 0.18 -4.92 120.64 124.45 1aab n GLU 25 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1aab n GLU 25 Cb 0.18 -0.29 -0.13 0.00 0.27 0.00 0.00 31.44 31.47 1aab n GLU 25 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1aab n HIS 26 N -0.10 0.51 0.25 4.31 -0.00 0.18 -4.02 115.22 116.36 1aab n HIS 26 Ca 0.00 0.11 0.18 0.00 0.46 0.00 0.00 57.72 58.46 1aab n HIS 26 Cb 0.00 -1.07 0.83 0.00 -0.12 0.00 0.00 29.99 29.63 1aab n HIS 26 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1aab h LYS 27 N -0.00 0.00 0.08 1.57 3.64 -1.50 0.65 116.57 121.00 1aab h LYS 27 Ca -0.52 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 1aab h LYS 27 Cb 1.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1aab h LYS 27 CO -0.03 0.00 -1.17 0.87 -2.27 0.00 0.00 179.45 176.85 1aab h LYS 28 N 0.00 0.17 -0.00 1.90 1.57 -1.79 -3.34 116.57 115.07 1aab h LYS 28 Ca 0.07 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1aab h LYS 28 Cb 0.71 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1aab h LYS 28 CO -0.00 1.14 -0.25 1.17 -0.57 0.00 0.00 179.45 180.94 1aab n LYS 29 N -4.12 0.49 -2.89 3.15 4.81 -0.76 -4.29 118.16 114.55 1aab n LYS 29 Ca -0.24 -0.24 -0.23 0.00 -0.87 0.00 0.00 58.31 56.74 1aab n LYS 29 Cb 0.80 -1.50 -0.02 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 -1.05 2.71 0.30 5.64 8.25 0.22 -4.89 115.22 126.40 1aab n HIS 30 Ca 0.11 -3.68 0.19 0.00 -0.26 0.00 0.00 57.72 54.07 1aab n HIS 30 Cb 0.32 -0.39 0.91 0.00 1.12 0.00 0.00 29.99 31.95 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 2.92 0.00 0.11 -0.41 0.13 -1.75 -3.03 132.00 129.97 1aab h PRO 31 Ca 0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.11 1aab h PRO 31 Cb 0.76 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.90 1aab h PRO 31 CO 0.72 0.02 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.37 1aab h ASP 32 N 0.00 0.37 -0.64 1.44 3.32 -1.92 -3.32 116.42 115.68 1aab h ASP 32 Ca -0.00 -0.95 0.06 0.00 0.02 0.00 0.00 57.03 56.15 1aab h ASP 32 Cb 0.28 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1aab h ASP 32 CO 0.00 1.33 0.42 0.00 -1.72 0.00 0.00 179.24 179.28 1aab h ALA 33 N 0.05 1.76 0.00 3.45 0.00 -1.94 -3.44 119.26 119.14 1aab h ALA 33 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 33 Cb 1.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1aab h ALA 33 CO 0.11 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.93 1aab n SER 34 N -4.47 -4.26 -3.06 0.00 7.64 -1.19 -3.71 113.62 104.57 1aab n SER 34 Ca 0.09 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.91 1aab n SER 34 Cb 0.22 -2.76 0.01 0.00 -1.01 0.00 0.00 64.21 60.67 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 -1.54 -6.26 1.57 0.44 0.31 -1.26 -4.82 118.33 106.77 1aab n VAL 35 Ca 0.00 0.91 0.01 0.00 -0.01 0.00 0.00 64.34 65.25 1aab n VAL 35 Cb 0.36 -4.70 0.04 0.00 -0.91 0.00 0.00 33.84 28.62 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 0.76 0.62 -3.88 4.52 3.02 -1.24 -4.87 115.26 114.19 1aab n ASN 36 Ca -0.00 -2.02 -0.25 0.00 -0.03 0.00 0.00 54.58 52.28 1aab n ASN 36 Cb 0.37 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.21 -1.72 -0.76 3.10 3.72 -1.26 -4.69 117.46 115.63 1aab n PHE 37 Ca 0.03 0.74 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 1aab n PHE 37 Cb 0.12 -3.85 0.00 0.00 -0.94 0.00 0.00 39.48 34.81 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 -2.98 0.00 0.00 4.37 3.41 -1.26 -4.92 113.62 112.25 1aab n SER 38 Ca -0.29 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1aab n SER 38 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.94 -0.07 4.33 1.02 -1.26 -4.91 120.64 120.68 1aab n GLU 39 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1aab n GLU 39 Cb 0.17 -0.08 -0.03 0.00 -0.02 0.00 0.00 31.44 31.48 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 0.00 0.00 -0.32 3.57 -1.93 -3.34 116.94 114.92 1aab h PHE 40 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 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 0.25 0.23 0.77 -2.23 0.00 0.00 178.31 177.33 1aab h SER 41 N -1.00 0.00 -0.33 0.41 0.02 -1.93 0.37 113.55 111.08 1aab h SER 41 Ca -0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1aab h SER 41 Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1aab h SER 41 CO -0.03 0.00 0.04 0.50 -1.14 0.00 0.00 176.83 176.20 1aab h LYS 42 N 0.00 0.66 0.06 3.45 3.64 -1.92 -0.21 116.57 122.25 1aab h LYS 42 Ca 0.00 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 1aab h LYS 42 Cb 0.46 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1aab h LYS 42 CO 0.00 0.65 -0.47 0.87 -2.27 0.00 0.00 179.45 178.22 1aab h LYS 43 N 0.63 0.22 -0.58 1.90 6.56 -0.43 -3.08 116.57 121.79 1aab h LYS 43 Ca 0.14 -0.31 0.01 0.00 -1.06 0.00 0.00 60.65 59.43 1aab h LYS 43 Cb 0.33 0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.06 1aab h LYS 43 CO 0.01 1.10 0.37 0.00 -2.06 0.00 0.00 179.45 178.86 1aab h SER 45 N 0.74 -0.34 0.36 0.00 0.87 -1.14 0.96 113.55 115.01 1aab h SER 45 Ca 0.22 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1aab h SER 45 Cb -0.04 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1aab h SER 45 CO -0.07 -0.13 0.00 1.21 -0.53 0.00 0.00 176.83 177.31 1aab n GLU 46 N -5.26 0.16 0.00 2.24 2.13 -0.99 -1.57 120.64 117.35 1aab n GLU 46 Ca -0.02 0.52 0.08 0.00 0.66 0.00 0.00 57.16 58.40 1aab n GLU 46 Cb 0.18 -1.89 -0.10 0.00 0.27 0.00 0.00 31.44 29.90 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 -2.20 1.30 -0.06 5.31 0.63 0.12 -4.47 116.66 117.29 1aab n ARG 47 Ca 0.00 -0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 1aab n ARG 47 Cb 0.13 -1.32 -0.02 0.00 0.45 0.00 0.00 32.46 31.70 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 -1.37 0.00 0.22 -0.14 -0.00 0.29 -4.27 117.44 112.17 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 -0.34 0.34 0.00 -0.00 0.00 0.00 31.31 31.58 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 -0.68 0.00 0.08 5.87 1.57 -1.63 0.22 116.57 122.00 1aab h LYS 49 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1aab h LYS 49 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 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 1.24 -2.77 -0.16 1.03 -1.78 -3.47 112.91 107.00 1aab h THR 50 Ca 0.00 -2.92 -0.36 0.00 -0.01 0.00 0.00 66.41 63.12 1aab h THR 50 Cb 0.99 2.74 0.20 0.00 -1.07 0.00 0.00 68.15 71.01 1aab h THR 50 CO 0.00 0.81 -0.21 0.23 -0.01 0.00 0.00 175.52 176.34 1aab n MET 51 N -3.38 -3.88 -4.13 0.00 2.81 0.78 -5.02 117.12 104.29 1aab n MET 51 Ca -0.13 -1.14 -0.23 0.00 -1.81 0.00 0.00 57.70 54.39 1aab n MET 51 Cb 1.02 -1.88 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 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 -2.70 5.40 0.64 7.83 0.15 -1.26 -4.93 113.70 118.83 1aab s SER 52 Ca 0.62 -0.28 0.22 0.00 0.70 0.00 0.00 55.95 57.21 1aab s SER 52 Cb -0.14 -1.34 1.09 0.00 -1.71 0.00 0.00 66.02 63.92 1aab s SER 52 CO 0.55 -0.02 1.60 0.00 1.20 0.00 0.00 173.24 176.57 1aab h ALA 53 N 1.68 1.94 0.79 5.45 0.00 -1.95 -0.04 119.26 127.13 1aab h ALA 53 Ca -0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1aab h ALA 53 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aab h ALA 53 CO 0.61 -0.80 -0.46 0.87 0.00 0.00 0.00 179.25 179.47 1aab h LYS 54 N 0.00 -1.13 -0.13 0.00 1.57 -1.98 0.89 116.57 115.80 1aab h LYS 54 Ca 0.12 0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1aab h LYS 54 Cb 1.45 0.26 0.01 0.00 0.08 0.00 0.00 32.23 34.02 1aab h LYS 54 CO -0.00 -0.75 -0.48 0.93 -0.57 0.00 0.00 179.45 178.58 1aab h GLU 55 N -1.17 0.55 0.00 3.15 5.08 -1.45 -2.53 114.58 118.21 1aab h GLU 55 Ca -0.11 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1aab h GLU 55 Cb 0.93 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1aab h GLU 55 CO 0.12 1.04 0.00 1.63 -1.00 0.00 0.00 179.01 180.81 1aab n LYS 56 N -4.23 0.25 0.08 2.33 5.02 -0.45 -1.91 118.16 119.25 1aab n LYS 56 Ca -0.07 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1aab n LYS 56 Cb 0.58 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 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 2.07 0.47 2.00 0.72 0.00 0.13 -2.37 103.07 106.09 1aab h GLY 57 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.09 1aab h GLY 57 CO 0.00 1.05 -0.19 1.70 0.00 0.00 0.00 176.54 179.10 1aab h LYS 58 N 0.00 0.00 0.00 4.80 3.11 -1.34 -2.38 116.57 120.76 1aab h LYS 58 Ca -0.29 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.42 1aab h LYS 58 Cb 2.02 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.23 1aab h LYS 58 CO 0.19 0.19 -0.87 0.74 -2.81 0.00 0.00 179.45 176.89 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.57 -2.64 116.94 114.68 1aab h PHE 59 Ca -0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1aab h PHE 59 Cb 0.77 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 1aab h PHE 59 CO 0.00 0.55 -0.51 0.93 -0.60 0.00 0.00 178.31 178.68 1aab h GLU 60 N 0.00 0.00 0.00 1.51 4.39 -0.99 -1.67 114.58 117.82 1aab h GLU 60 Ca -0.06 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 1aab h GLU 60 Cb 1.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 1aab h GLU 60 CO 0.06 0.51 -0.72 0.22 -1.16 0.00 0.00 179.01 177.92 1aab h ASP 61 N 0.00 0.00 0.03 1.42 3.58 -1.33 -2.81 116.42 117.32 1aab h ASP 61 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1aab h ASP 61 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1aab h ASP 61 CO 0.07 0.58 -0.02 0.24 -2.88 0.00 0.00 179.24 177.23 1aab h MET 62 N 0.00 -0.04 -0.10 0.28 2.86 -1.19 -2.15 114.93 114.58 1aab h MET 62 Ca -0.03 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 62 Cb 1.47 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 1aab h MET 62 CO 0.07 0.62 0.10 0.00 1.06 0.00 0.00 176.91 178.76 1aab h ALA 63 N -0.17 1.77 -0.10 6.32 0.00 -1.43 0.26 119.26 125.91 1aab h ALA 63 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1aab h ALA 63 Cb 0.68 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1aab h ALA 63 CO 0.01 -0.16 -0.69 -0.22 0.00 0.00 0.00 179.25 178.19 1aab h LYS 64 N 0.00 0.44 -0.14 0.00 3.64 -1.45 -1.96 116.57 117.10 1aab h LYS 64 Ca 0.05 -0.33 -0.13 0.00 -1.27 0.00 0.00 60.65 58.97 1aab h LYS 64 Cb 0.26 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1aab h LYS 64 CO -0.00 0.96 -0.46 0.00 -2.27 0.00 0.00 179.45 177.68 1aab h ALA 65 N 0.95 0.95 -0.20 5.00 0.00 0.13 -2.45 119.26 123.64 1aab h ALA 65 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1aab h ALA 65 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1aab h ALA 65 CO 0.12 0.64 -0.27 0.22 0.00 0.00 0.00 179.25 179.96 1aab h ASP 66 N 0.28 0.37 -0.97 0.00 3.58 -0.85 -2.39 116.42 116.44 1aab h ASP 66 Ca 0.02 -0.13 0.12 0.00 0.42 0.00 0.00 57.03 57.47 1aab h ASP 66 Cb 0.93 -0.10 -0.09 0.00 1.72 0.00 0.00 39.33 41.79 1aab h ASP 66 CO 0.08 0.65 0.59 0.50 -2.88 0.00 0.00 179.24 178.18 1aab h LYS 67 N 0.33 0.90 -0.12 0.28 3.64 -0.86 0.24 116.57 120.98 1aab h LYS 67 Ca 0.05 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1aab h LYS 67 Cb 0.66 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1aab h LYS 67 CO 0.05 0.59 -0.39 0.00 -2.27 0.00 0.00 179.45 177.43 1aab h ALA 68 N 1.54 1.12 0.00 5.00 0.00 -1.42 -0.96 119.26 124.54 1aab h ALA 68 Ca 0.49 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1aab h ALA 68 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aab h ALA 68 CO -0.28 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.35 1aab h ARG 69 N 0.23 0.00 0.17 0.00 2.47 -0.51 -1.90 114.38 114.84 1aab h ARG 69 Ca 0.02 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.44 1aab h ARG 69 Cb 0.79 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.12 1aab h ARG 69 CO 0.06 0.20 -1.47 -0.92 0.56 0.00 0.00 179.97 178.41 1aab h TYR 70 N 0.00 0.65 0.05 3.04 5.03 -0.14 -3.26 116.97 122.34 1aab h TYR 70 Ca -0.00 -0.48 -0.00 0.00 2.58 0.00 0.00 58.73 60.83 1aab h TYR 70 Cb 0.90 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.15 1aab h TYR 70 CO 0.00 1.57 -0.02 0.93 -1.32 0.00 0.00 178.16 179.32 1aab h GLU 71 N -0.09 -0.07 -0.76 1.82 5.08 -1.22 -2.37 114.58 116.98 1aab h GLU 71 Ca -0.29 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1aab h GLU 71 Cb 1.94 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 1aab h GLU 71 CO 0.15 0.56 0.55 -0.09 -1.00 0.00 0.00 179.01 179.18 1aab h ARG 72 N -0.82 0.01 0.00 2.33 2.43 -1.54 0.16 114.38 116.95 1aab h ARG 72 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1aab h ARG 72 Cb 0.65 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1aab h ARG 72 CO 0.01 0.01 -0.79 0.39 -1.51 0.00 0.00 179.97 178.08 1aab n GLU 73 N -4.31 0.30 -0.02 0.20 -0.58 -1.23 -4.19 120.64 110.81 1aab n GLU 73 Ca 0.15 0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.79 1aab n GLU 73 Cb 0.83 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.94 1aab n GLU 73 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1aab h MET 74 N 0.00 0.29 0.00 3.49 4.05 -0.12 -3.03 114.93 119.62 1aab h MET 74 Ca 0.00 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1aab h MET 74 Cb 0.75 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1aab h MET 74 CO 0.00 0.95 0.12 1.63 0.23 0.00 0.00 176.91 179.83 1aab n LYS 75 N -4.42 0.00 -0.07 0.39 4.01 -1.12 -0.75 118.16 116.21 1aab n LYS 75 Ca -0.09 0.35 -0.04 0.00 -0.51 0.00 0.00 58.31 58.02 1aab n LYS 75 Cb 0.53 -1.62 -0.16 0.00 -0.51 0.00 0.00 35.03 33.28 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1aab n THR 76 N -1.35 1.05 0.00 -0.18 -2.24 -1.15 -4.82 114.28 105.60 1aab n THR 76 Ca 0.00 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1aab n THR 76 Cb 0.12 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.64 0.00 -2.92 4.78 9.36 0.07 -4.99 117.16 120.83 1aab n TYR 77 Ca -0.25 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 60.96 1aab n TYR 77 Cb 1.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.70 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 -6.69 -0.77 2.97 5.41 -1.25 -4.92 119.36 114.11 1aab n ILE 78 Ca 0.00 1.23 -0.31 0.00 1.00 0.00 0.00 62.75 64.67 1aab n ILE 78 Cb 0.00 -4.64 0.16 0.00 -0.71 0.00 0.00 39.64 34.44 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 -0.84 1.15 0.00 0.38 0.02 -1.26 -5.03 135.00 129.43 1aab s PRO 79 Ca -0.07 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.49 1aab s PRO 79 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1aab s PRO 79 CO 0.37 -2.53 0.00 -0.35 -0.33 0.00 0.00 177.00 174.16 1aab n PRO 80 N -4.12 1.85 -1.59 5.54 -0.04 -1.26 -4.67 135.00 130.71 1aab n PRO 80 Ca 0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1aab n PRO 80 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.00 1.38 0.02 0.54 3.01 -1.26 -4.69 119.74 118.74 1aab s LYS 81 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 55.97 54.98 1aab s LYS 81 Cb 0.00 -4.89 0.06 0.00 -1.01 0.00 0.00 37.83 31.99 1aab s LYS 81 CO 0.00 -5.01 0.88 0.41 0.51 0.00 0.00 175.35 172.15 1aab n GLY 82 N 6.47 -0.37 0.00 -3.33 0.00 -1.26 -5.16 105.19 101.54 1aab n GLY 82 Ca 0.44 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50