#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z1s h LEU -5 N 0.00 0.00 -0.77 3.41 8.10 -2.02 0.11 115.31 124.13 1z1s h LEU -5 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1z1s h LEU -5 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1z1s h LEU -5 CO 0.00 0.00 -0.31 -1.22 -4.11 0.00 0.00 178.44 172.80 1z1s n TYR -4 N -2.62 0.00 -2.95 0.17 4.02 -1.26 -4.47 117.16 110.05 1z1s n TYR -4 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1z1s n TYR -4 Cb 0.19 -0.06 -0.01 0.00 -0.02 0.00 0.00 39.34 39.44 1z1s n TYR -4 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1z1s n PHE -3 N -0.28 0.79 -2.86 -0.72 3.01 0.32 -5.11 117.46 112.61 1z1s n PHE -3 Ca 0.12 -3.39 -0.37 0.00 1.01 0.00 0.00 57.45 54.82 1z1s n PHE -3 Cb 0.40 -0.40 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1z1s n PHE -3 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1z1s s GLN -2 N -2.77 4.49 0.67 -1.08 -0.21 -0.89 -4.72 119.66 115.15 1z1s s GLN -2 Ca 0.35 1.21 -0.10 0.00 0.02 0.00 0.00 55.36 56.85 1z1s s GLN -2 Cb 0.39 -2.79 0.01 0.00 1.00 0.00 0.00 33.01 31.62 1z1s s GLN -2 CO -0.04 0.29 1.03 0.20 -2.12 0.00 0.00 175.29 174.66 1z1s s GLY -1 N -1.65 1.62 0.82 3.09 0.00 -1.26 -5.06 107.32 104.88 1z1s s GLY -1 Ca 0.49 -0.44 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 1z1s s GLY -1 CO 0.23 -0.10 1.16 -2.38 0.00 0.00 0.00 173.10 172.00 1z1s s HIS 0 N -3.24 1.95 0.46 1.90 -3.43 -1.26 -4.96 115.29 106.70 1z1s s HIS 0 Ca 0.57 1.68 -0.24 0.00 -0.80 0.00 0.00 55.06 56.27 1z1s s HIS 0 Cb -0.11 -3.33 -0.07 0.00 -1.43 0.00 0.00 32.58 27.64 1z1s s HIS 0 CO 0.50 -2.54 1.24 -1.64 -2.00 0.00 0.00 174.74 170.30 1z1s s MET 1 N -4.44 3.72 0.75 -0.38 -1.94 -1.26 -4.83 119.30 110.91 1z1s s MET 1 Ca 0.68 1.97 -0.06 0.00 -1.71 0.00 0.00 55.69 56.58 1z1s s MET 1 Cb -0.24 -2.50 0.11 0.00 2.01 0.00 0.00 34.83 34.21 1z1s s MET 1 CO 0.53 -0.64 1.04 0.54 -0.01 0.00 0.00 175.02 176.48 1z1s s ASN 2 N -1.09 4.36 0.26 3.03 2.20 -1.26 -3.46 114.94 118.99 1z1s s ASN 2 Ca 0.63 0.09 -0.03 0.00 -0.94 0.00 0.00 52.86 52.61 1z1s s ASN 2 Cb -0.34 -0.55 0.33 0.00 -2.00 0.00 0.00 41.25 38.70 1z1s s ASN 2 CO 0.41 -1.87 1.79 0.00 -2.94 0.00 0.00 177.10 174.49 1z1s h ALA 3 N -0.71 1.14 -0.16 3.54 0.00 -1.52 -1.47 119.26 120.08 1z1s h ALA 3 Ca -0.41 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.29 1z1s h ALA 3 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1z1s h ALA 3 CO 0.48 0.57 0.04 0.87 0.00 0.00 0.00 179.25 181.21 1z1s h LYS 4 N 0.84 0.10 -0.86 0.00 1.57 -1.87 -1.25 116.57 115.09 1z1s h LYS 4 Ca 0.18 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1z1s h LYS 4 Cb 0.35 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1z1s h LYS 4 CO 0.00 0.07 0.56 0.93 -0.57 0.00 0.00 179.45 180.44 1z1s h GLU 5 N 0.10 1.08 -0.40 3.15 5.08 -1.86 -2.14 114.58 119.59 1z1s h GLU 5 Ca 0.07 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1z1s h GLU 5 Cb 0.06 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1z1s h GLU 5 CO -0.09 0.71 0.03 0.82 -1.00 0.00 0.00 179.01 179.48 1z1s h ILE 6 N 1.11 1.25 -0.22 3.13 2.04 -1.03 -1.39 117.51 122.40 1z1s h ILE 6 Ca 0.34 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1z1s h ILE 6 Cb -0.03 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1z1s h ILE 6 CO -0.10 0.32 0.14 0.25 0.00 0.00 0.00 178.15 178.76 1z1s h LEU 7 N 0.53 0.26 -0.55 1.44 5.85 -0.87 0.16 115.31 122.12 1z1s h LEU 7 Ca 0.12 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1z1s h LEU 7 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1z1s h LEU 7 CO 0.02 0.22 0.32 0.58 -0.34 0.00 0.00 178.44 179.23 1z1s h VAL 8 N 0.28 1.17 -0.39 1.05 2.07 -1.31 -1.89 116.25 117.22 1z1s h VAL 8 Ca 0.08 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1z1s h VAL 8 Cb 0.00 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1z1s h VAL 8 CO -0.02 0.18 0.11 -0.74 0.02 0.00 0.00 177.57 177.12 1z1s h HIS 9 N 0.74 0.65 -0.78 1.57 -0.00 -1.05 -2.57 115.15 113.72 1z1s h HIS 9 Ca 0.20 -0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.56 1z1s h HIS 9 Cb 0.01 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 27.17 1z1s h HIS 9 CO -0.02 0.62 0.46 0.66 -0.00 0.00 0.00 177.93 179.64 1z1s h SER 10 N 0.49 0.69 -0.57 3.26 4.64 -0.39 -1.49 113.55 120.18 1z1s h SER 10 Ca 0.12 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1z1s h SER 10 Cb 0.29 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1z1s h SER 10 CO -0.00 0.44 0.15 -0.07 -0.87 0.00 0.00 176.83 176.47 1z1s h LEU 11 N 0.82 0.90 -0.72 5.97 3.38 -1.09 -1.70 115.31 122.86 1z1s h LEU 11 Ca 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1z1s h LEU 11 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1z1s h LEU 11 CO -0.19 0.87 0.46 0.03 0.09 0.00 0.00 178.44 179.71 1z1s h ARG 12 N 0.91 0.96 -0.82 1.13 3.08 -0.99 -0.95 114.38 117.70 1z1s h ARG 12 Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1z1s h ARG 12 Cb 0.33 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1z1s h ARG 12 CO 0.00 0.65 0.53 -0.07 -1.07 0.00 0.00 179.97 180.01 1z1s h LEU 13 N 0.98 0.96 -0.60 3.04 3.38 -0.79 -0.89 115.31 121.38 1z1s h LEU 13 Ca 0.26 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1z1s h LEU 13 Cb -0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1z1s h LEU 13 CO -0.05 0.71 0.10 -0.07 0.09 0.00 0.00 178.44 179.21 1z1s h LEU 14 N 1.12 0.95 -1.15 1.67 3.38 -0.88 0.00 115.31 120.41 1z1s h LEU 14 Ca 0.30 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1z1s h LEU 14 Cb -0.11 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.32 1z1s h LEU 14 CO -0.06 0.97 0.60 -0.33 0.09 0.00 0.00 178.44 179.71 1z1s h GLU 15 N 0.90 0.85 0.00 1.13 5.08 -0.55 -0.43 114.58 121.56 1z1s h GLU 15 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1z1s h GLU 15 Cb 0.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1z1s h GLU 15 CO 0.01 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 1z1s n ASN 16 N -4.57 0.00 -0.56 1.42 3.02 -0.40 -4.71 115.26 109.46 1z1s n ASN 16 Ca 0.17 -0.38 -0.07 0.00 -0.03 0.00 0.00 54.58 54.27 1z1s n ASN 16 Cb 0.37 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1z1s n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1z1s n GLY 17 N 1.17 0.93 3.15 7.41 0.00 -0.17 -4.92 105.19 112.75 1z1s n GLY 17 Ca 0.17 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1z1s n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1z1s n ASP 18 N 0.33 5.08 -0.28 1.61 2.03 -0.07 -4.54 116.55 120.70 1z1s n ASP 18 Ca -0.07 -3.03 -0.05 0.00 0.52 0.00 0.00 54.79 52.15 1z1s n ASP 18 Cb 0.28 -1.54 0.06 0.00 -0.72 0.00 0.00 41.12 39.21 1z1s n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z1s h ALA 19 N 6.43 0.99 -0.63 -1.67 0.00 -1.87 -1.59 119.26 120.92 1z1s h ALA 19 Ca 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1z1s h ALA 19 Cb 0.74 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1z1s h ALA 19 CO 1.47 0.49 0.25 -0.09 0.00 0.00 0.00 179.25 181.37 1z1s h ARG 20 N 1.07 0.95 -0.26 0.00 9.65 -1.88 -1.36 114.38 122.54 1z1s h ARG 20 Ca 0.27 -0.17 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 1z1s h ARG 20 Cb 0.02 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1z1s h ARG 20 CO -0.05 0.80 -0.23 0.78 2.80 0.00 0.00 179.97 184.07 1z1s h GLY 21 N 0.88 0.52 0.80 2.80 0.00 -1.89 -0.79 103.07 105.39 1z1s h GLY 21 Ca 0.21 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1z1s h GLY 21 CO -0.02 0.38 0.00 -0.25 0.00 0.00 0.00 176.54 176.66 1z1s h TRP 22 N 0.43 0.03 -0.58 5.60 7.01 -1.02 -2.86 115.95 124.55 1z1s h TRP 22 Ca 0.07 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1z1s h TRP 22 Cb 0.64 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 1z1s h TRP 22 CO 0.02 0.22 0.37 0.00 -2.79 0.00 0.00 178.44 176.26 1z1s h ASP 24 N 0.80 0.00 1.24 0.00 3.32 -0.91 -1.14 116.42 119.72 1z1s h ASP 24 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1z1s h ASP 24 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1z1s h ASP 24 CO -0.04 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.41 1z1s h LEU 25 N 0.00 0.00 -9.84 1.55 3.38 -1.23 -3.45 115.31 105.72 1z1s h LEU 25 Ca 0.01 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1z1s h LEU 25 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1z1s h LEU 25 CO -0.00 0.00 0.38 -0.36 0.09 0.00 0.00 178.44 178.55 1z1s s PHE 26 N -3.31 3.69 0.65 1.13 0.08 -0.43 -1.12 117.98 118.66 1z1s s PHE 26 Ca 0.06 1.79 -0.18 0.00 0.12 0.00 0.00 56.93 58.72 1z1s s PHE 26 Cb 0.09 -3.04 -0.02 0.00 -0.57 0.00 0.00 43.02 39.49 1z1s s PHE 26 CO 0.53 0.02 1.11 1.58 -0.10 0.00 0.00 175.22 178.36 1z1s n HIS 27 N 0.84 1.26 -0.26 0.36 -0.00 -0.02 -4.69 115.22 112.71 1z1s n HIS 27 Ca 0.01 0.42 0.22 0.00 -0.00 0.00 0.00 57.72 58.37 1z1s n HIS 27 Cb 0.48 -2.18 0.55 0.00 -0.00 0.00 0.00 29.99 28.84 1z1s n HIS 27 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1z1s h PRO 28 N 0.34 0.33 -0.60 1.57 0.11 -1.97 0.20 132.00 131.99 1z1s h PRO 28 Ca -0.49 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.36 1z1s h PRO 28 Cb 1.35 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1z1s h PRO 28 CO 0.51 0.22 0.20 0.39 -0.21 0.00 0.00 178.00 179.11 1z1s n GLU 29 N -4.49 2.66 -1.60 1.05 4.71 -1.26 -1.09 120.64 120.61 1z1s n GLU 29 Ca 0.21 -3.07 -0.33 0.00 -0.01 0.00 0.00 57.16 53.96 1z1s n GLU 29 Cb 0.80 -2.02 0.07 0.00 -1.01 0.00 0.00 31.44 29.28 1z1s n GLU 29 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1z1s s GLY 30 N -1.73 2.14 -0.03 0.62 0.00 0.71 -4.45 107.32 104.57 1z1s s GLY 30 Ca 0.50 0.60 0.05 0.00 0.00 0.00 0.00 44.72 45.86 1z1s s GLY 30 CO 0.08 0.96 -0.17 0.14 0.00 0.00 0.00 173.10 174.11 1z1s s VAL 31 N -2.32 1.42 -0.12 1.40 1.01 -0.11 -0.01 120.40 121.66 1z1s s VAL 31 Ca 0.68 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1z1s s VAL 31 Cb -0.22 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1z1s s VAL 31 CO 0.44 0.41 -0.12 -0.22 0.00 0.00 0.00 175.10 175.61 1z1s s LEU 32 N -0.10 2.79 -0.00 3.92 2.96 -0.45 -0.54 118.68 127.25 1z1s s LEU 32 Ca -0.01 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1z1s s LEU 32 Cb -0.10 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1z1s s LEU 32 CO 0.01 0.19 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.50 1z1s s GLU 33 N 0.22 0.98 -0.40 1.98 2.02 -0.19 -0.57 118.70 122.74 1z1s s GLU 33 Ca -0.08 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 1z1s s GLU 33 Cb -0.15 -0.95 0.11 0.00 0.10 0.00 0.00 34.13 33.24 1z1s s GLU 33 CO 0.05 0.26 0.18 -0.06 0.02 0.00 0.00 175.26 175.71 1z1s s PHE 34 N -0.36 3.62 0.44 1.61 0.08 -0.06 -0.43 117.98 122.88 1z1s s PHE 34 Ca 0.04 -2.54 0.11 0.00 0.12 0.00 0.00 56.93 54.66 1z1s s PHE 34 Cb -0.05 -3.17 0.99 0.00 -0.57 0.00 0.00 43.02 40.22 1z1s s PHE 34 CO -0.00 -0.96 2.05 -1.35 -0.10 0.00 0.00 175.22 174.86 1z1s h PRO 35 N 7.93 0.27 -5.05 0.24 0.11 -1.84 -3.39 132.00 130.26 1z1s h PRO 35 Ca -0.11 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.30 1z1s h PRO 35 Cb 1.04 -0.05 -0.35 0.00 0.11 0.00 0.00 31.00 31.75 1z1s h PRO 35 CO 0.67 0.23 -0.85 0.71 -0.21 0.00 0.00 178.00 178.55 1z1s s TYR 36 N -5.14 2.79 0.09 0.65 2.02 -1.26 -5.11 117.35 111.40 1z1s s TYR 36 Ca -0.06 -1.62 -0.11 0.00 -0.37 0.00 0.00 57.07 54.91 1z1s s TYR 36 Cb 0.17 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1z1s s TYR 36 CO 0.71 -0.80 0.25 0.00 -1.57 0.00 0.00 175.55 174.14 1z1s s ALA 37 N 1.30 -0.43 0.55 3.71 0.00 -1.26 -4.60 121.76 121.03 1z1s s ALA 37 Ca 0.05 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.39 1z1s s ALA 37 Cb -0.13 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 1z1s s ALA 37 CO -0.12 -0.53 1.05 -2.30 0.00 0.00 0.00 175.76 173.86 1z1s n PRO 38 N -0.01 1.15 -1.99 0.00 -0.02 -1.26 -4.91 135.00 127.96 1z1s n PRO 38 Ca -0.16 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 1z1s n PRO 38 Cb 0.62 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1z1s n PRO 38 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1z1s s PRO 39 N -2.62 3.40 0.00 0.52 0.04 -1.26 -2.83 135.00 132.25 1z1s s PRO 39 Ca 0.72 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1z1s s PRO 39 Cb -0.44 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1z1s s PRO 39 CO 0.50 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1z1s n GLY 40 N 0.60 0.88 3.88 0.56 0.00 -1.26 -5.05 105.19 104.80 1z1s n GLY 40 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1z1s n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1z1s s TRP 41 N -2.52 3.44 0.08 1.61 0.52 -1.13 -5.06 118.94 115.89 1z1s s TRP 41 Ca 0.00 0.91 -0.31 0.00 0.02 0.00 0.00 56.10 56.72 1z1s s TRP 41 Cb 0.00 -2.31 -0.06 0.00 -1.15 0.00 0.00 33.47 29.95 1z1s s TRP 41 CO 0.00 0.12 1.23 0.21 0.02 0.00 0.00 176.95 178.53 1z1s s LYS 42 N -3.30 4.42 0.00 4.98 2.20 -1.26 -4.95 119.74 121.82 1z1s s LYS 42 Ca 0.49 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1z1s s LYS 42 Cb -0.11 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1z1s s LYS 42 CO 0.25 -0.27 0.87 0.25 -0.36 0.00 0.00 175.35 176.09 1z1s n THR 43 N 3.78 0.75 -3.76 3.43 -2.24 -1.26 -4.94 114.28 110.04 1z1s n THR 43 Ca 0.09 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1z1s n THR 43 Cb 0.45 0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 69.19 1z1s n THR 43 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1z1s s ARG 44 N -0.75 0.14 -0.13 -0.78 3.52 -1.26 -0.88 118.95 118.80 1z1s s ARG 44 Ca 0.00 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.95 1z1s s ARG 44 Cb 0.00 -0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 1z1s s ARG 44 CO 0.00 -0.12 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.21 1z1s s PHE 45 N 0.87 1.73 -0.31 5.12 0.40 0.27 -5.00 117.98 121.05 1z1s s PHE 45 Ca -0.06 -0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 55.25 1z1s s PHE 45 Cb -0.08 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.11 1z1s s PHE 45 CO -0.05 -0.58 0.10 -2.00 0.70 0.00 0.00 175.22 173.40 1z1s s GLU 46 N 1.63 2.93 0.00 0.44 -6.30 -1.26 -1.35 118.70 114.79 1z1s s GLU 46 Ca 0.04 -0.97 0.00 0.00 -2.50 0.00 0.00 54.97 51.54 1z1s s GLU 46 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 34.13 30.57 1z1s s GLU 46 CO -0.09 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1z1s n GLY 47 N 4.86 3.09 0.27 -1.50 0.00 0.98 -4.61 105.19 108.28 1z1s n GLY 47 Ca -0.14 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.43 1z1s n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1z1s h ARG 48 N 0.00 0.55 0.00 1.61 2.43 -1.21 -1.22 114.38 116.54 1z1s h ARG 48 Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1z1s h ARG 48 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1z1s h ARG 48 CO 0.00 0.36 -0.53 0.93 -1.51 0.00 0.00 179.97 179.23 1z1s h GLU 49 N 0.57 0.00 -0.51 0.20 4.39 -1.91 -1.11 114.58 116.21 1z1s h GLU 49 Ca 0.37 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 1z1s h GLU 49 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1z1s h GLU 49 CO -0.30 0.42 0.21 1.15 -1.16 0.00 0.00 179.01 179.33 1z1s h THR 50 N 0.00 1.21 -0.42 1.13 2.02 -1.69 -0.70 112.91 114.46 1z1s h THR 50 Ca -0.02 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1z1s h THR 50 Cb 1.35 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1z1s h THR 50 CO 0.06 0.24 0.22 0.40 0.37 0.00 0.00 175.52 176.81 1z1s h ILE 51 N 0.67 1.00 -0.67 3.11 2.04 -0.95 -2.55 117.51 120.16 1z1s h ILE 51 Ca 0.17 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1z1s h ILE 51 Cb 0.18 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1z1s h ILE 51 CO -0.02 0.08 0.41 -0.25 0.00 0.00 0.00 178.15 178.37 1z1s h TRP 52 N 0.45 0.75 -0.41 1.37 -0.00 -1.04 -1.52 115.95 115.56 1z1s h TRP 52 Ca 0.18 0.02 0.12 0.00 -0.00 0.00 0.00 58.89 59.21 1z1s h TRP 52 Cb 0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 28.96 1z1s h TRP 52 CO -0.09 0.41 0.32 0.00 -0.00 0.00 0.00 178.44 179.08 1z1s h ALA 53 N 1.31 2.30 -0.30 2.65 0.00 -0.70 0.42 119.26 124.94 1z1s h ALA 53 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1z1s h ALA 53 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1z1s h ALA 53 CO -0.13 -0.53 0.00 0.72 0.00 0.00 0.00 179.25 179.31 1z1s n HIS 54 N -4.23 0.38 -0.11 0.00 8.25 -0.66 -4.53 115.22 114.32 1z1s n HIS 54 Ca 0.07 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1z1s n HIS 54 Cb 0.51 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1z1s n HIS 54 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1z1s n MET 55 N 1.35 1.08 -0.23 -0.41 2.81 0.10 -4.83 117.12 116.99 1z1s n MET 55 Ca 0.17 -0.30 0.04 0.00 -1.81 0.00 0.00 57.70 55.79 1z1s n MET 55 Cb 0.57 -0.78 0.15 0.00 -0.71 0.00 0.00 33.22 32.45 1z1s n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1z1s h ARG 56 N 0.00 0.23 -0.65 0.03 3.08 -1.69 -2.51 114.38 112.87 1z1s h ARG 56 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1z1s h ARG 56 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1z1s h ARG 56 CO 0.00 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.33 1z1s n LEU 57 N -5.18 4.17 -0.13 3.04 4.77 -1.26 -4.59 117.00 117.83 1z1s n LEU 57 Ca 0.12 -2.11 -0.04 0.00 -0.03 0.00 0.00 56.01 53.95 1z1s n LEU 57 Cb 0.41 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1z1s n LEU 57 CO 0.13 0.60 0.80 0.15 -1.33 0.00 0.00 177.39 177.73 1z1s h PHE 58 N 3.11 -0.17 0.00 -1.77 3.57 -1.80 -1.11 116.94 118.77 1z1s h PHE 58 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1z1s h PHE 58 Cb 1.39 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.27 1z1s h PHE 58 CO 0.71 -0.16 -0.02 -1.00 -2.23 0.00 0.00 178.31 175.61 1z1s h PRO 59 N 0.03 0.00 0.00 6.41 0.13 -1.80 0.01 132.00 136.78 1z1s h PRO 59 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1z1s h PRO 59 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1z1s h PRO 59 CO -0.42 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 178.42 1z1s h GLU 60 N 0.00 0.00 0.00 0.86 4.11 -1.55 -3.34 114.58 114.66 1z1s h GLU 60 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1z1s h GLU 60 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1z1s h GLU 60 CO 0.00 0.00 -1.77 0.72 0.07 0.00 0.00 179.01 178.03 1z1s n HIS 61 N -2.33 0.00 -3.69 2.06 8.25 -0.06 -4.59 115.22 114.86 1z1s n HIS 61 Ca 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1z1s n HIS 61 Cb 0.37 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 1z1s n HIS 61 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1z1s s LEU 62 N -4.37 -0.13 -0.08 2.41 2.96 -0.88 -1.10 118.68 117.49 1z1s s LEU 62 Ca -0.06 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1z1s s LEU 62 Cb 0.08 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.41 1z1s s LEU 62 CO 0.60 -0.19 -0.18 0.28 -1.32 0.00 0.00 176.35 175.54 1z1s s THR 63 N 0.91 2.69 -0.05 3.68 -1.32 -1.01 -4.50 115.64 116.04 1z1s s THR 63 Ca -0.05 -0.83 -0.12 0.00 -1.21 0.00 0.00 61.69 59.48 1z1s s THR 63 Cb -0.06 -2.06 0.02 0.00 -1.51 0.00 0.00 72.50 68.90 1z1s s THR 63 CO -0.08 0.56 0.29 0.54 -2.21 0.00 0.00 174.62 173.72 1z1s s VAL 64 N -0.11 0.04 -0.04 5.08 0.11 -1.26 -1.26 120.40 122.97 1z1s s VAL 64 Ca -0.03 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1z1s s VAL 64 Cb -0.14 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1z1s s VAL 64 CO 0.04 -0.17 -0.13 -0.60 -3.33 0.00 0.00 175.10 170.91 1z1s s ARG 65 N -0.75 1.37 0.04 1.54 3.52 0.32 -4.28 118.95 120.70 1z1s s ARG 65 Ca -0.08 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 1z1s s ARG 65 Cb -0.04 -1.22 -0.04 0.00 -1.56 0.00 0.00 34.95 32.09 1z1s s ARG 65 CO 0.02 0.16 0.01 -0.06 -0.81 0.00 0.00 175.30 174.62 1z1s s PHE 66 N 0.18 3.05 0.88 5.12 0.08 -1.26 -0.99 117.98 125.05 1z1s s PHE 66 Ca -0.04 0.04 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 1z1s s PHE 66 Cb -0.10 -1.61 0.12 0.00 -0.57 0.00 0.00 43.02 40.85 1z1s s PHE 66 CO 0.01 0.47 1.11 0.95 -0.10 0.00 0.00 175.22 177.67 1z1s s THR 67 N -1.20 2.42 0.30 0.64 -4.23 0.20 -4.98 115.64 108.79 1z1s s THR 67 Ca 0.23 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 1z1s s THR 67 Cb -0.12 -2.82 -0.11 0.00 1.34 0.00 0.00 72.50 70.79 1z1s s THR 67 CO 0.14 -0.18 1.49 -1.81 -0.54 0.00 0.00 174.62 173.73 1z1s s ASP 68 N -3.85 6.51 0.14 3.99 1.01 -1.26 -4.61 116.67 118.59 1z1s s ASP 68 Ca 0.63 2.84 -0.31 0.00 0.71 0.00 0.00 52.55 56.43 1z1s s ASP 68 Cb -0.15 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.06 1z1s s ASP 68 CO 0.54 -0.79 1.29 -0.69 0.21 0.00 0.00 175.17 175.73 1z1s s VAL 69 N -0.32 3.49 -0.43 -1.27 1.01 -1.26 -4.75 120.40 116.86 1z1s s VAL 69 Ca 0.58 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 1z1s s VAL 69 Cb -0.45 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1z1s s VAL 69 CO 0.50 0.13 0.38 -1.10 0.00 0.00 0.00 175.10 175.01 1z1s s GLN 70 N 0.50 3.02 0.05 2.72 -1.52 0.10 -4.93 119.66 119.61 1z1s s GLN 70 Ca 0.59 -1.00 -0.15 0.00 -1.95 0.00 0.00 55.36 52.84 1z1s s GLN 70 Cb -0.34 -4.02 -0.06 0.00 -0.22 0.00 0.00 33.01 28.37 1z1s s GLN 70 CO 0.33 -0.87 0.47 -0.06 -0.25 0.00 0.00 175.29 174.91 1z1s s PHE 71 N 1.87 3.71 0.19 0.91 0.08 -1.26 -1.23 117.98 122.25 1z1s s PHE 71 Ca 0.08 1.05 -0.22 0.00 0.12 0.00 0.00 56.93 57.96 1z1s s PHE 71 Cb -0.20 -2.34 -0.08 0.00 -0.57 0.00 0.00 43.02 39.84 1z1s s PHE 71 CO 0.10 0.58 0.73 0.71 -0.10 0.00 0.00 175.22 177.25 1z1s s TYR 72 N -1.19 3.76 -0.23 0.36 2.02 -0.20 -5.01 117.35 116.87 1z1s s TYR 72 Ca 0.28 1.48 -0.29 0.00 -0.37 0.00 0.00 57.07 58.17 1z1s s TYR 72 Cb -0.17 -2.67 0.01 0.00 -0.40 0.00 0.00 41.96 38.73 1z1s s TYR 72 CO 0.16 0.43 1.10 -1.21 -1.57 0.00 0.00 175.55 174.46 1z1s s GLU 73 N -1.58 4.23 0.32 -0.62 0.41 -1.26 -4.49 118.70 115.72 1z1s s GLU 73 Ca 0.39 1.40 0.07 0.00 -0.41 0.00 0.00 54.97 56.41 1z1s s GLU 73 Cb -0.19 -3.68 -0.01 0.00 -1.78 0.00 0.00 34.13 28.46 1z1s s GLU 73 CO 0.23 -0.69 0.42 0.95 -0.49 0.00 0.00 175.26 175.69 1z1s s THR 74 N 3.34 4.11 0.18 3.63 -4.23 -1.26 -5.03 115.64 116.38 1z1s s THR 74 Ca 0.47 -1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1z1s s THR 74 Cb -0.16 -3.41 -0.07 0.00 1.34 0.00 0.00 72.50 70.19 1z1s s THR 74 CO 0.09 -0.18 1.48 0.00 -0.54 0.00 0.00 174.62 175.47 1z1s h ALA 75 N 0.99 0.65 -3.11 3.99 0.00 -1.96 -3.44 119.26 116.38 1z1s h ALA 75 Ca -0.46 -0.53 -0.66 0.00 0.00 0.00 0.00 54.91 53.26 1z1s h ALA 75 Cb 1.25 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 1z1s h ALA 75 CO 0.55 0.70 -0.74 0.34 0.00 0.00 0.00 179.25 180.10 1z1s s ASP 76 N -6.94 4.20 0.62 0.00 -1.08 -1.26 -5.00 116.67 107.22 1z1s s ASP 76 Ca -0.07 -0.36 0.42 0.00 -0.52 0.00 0.00 52.55 52.01 1z1s s ASP 76 Cb 0.11 -1.69 2.27 0.00 -1.46 0.00 0.00 42.92 42.15 1z1s s ASP 76 CO 0.85 0.05 2.28 -0.65 0.52 0.00 0.00 175.17 178.22 1z1s h PRO 77 N 7.59 0.00 -0.21 4.34 0.11 -2.01 -0.39 132.00 141.43 1z1s h PRO 77 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1z1s h PRO 77 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1z1s h PRO 77 CO 0.60 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 1z1s n ASP 78 N -2.97 1.18 -4.06 -2.05 8.00 -1.26 -1.34 116.55 114.04 1z1s n ASP 78 Ca -0.03 -1.96 -0.27 0.00 0.71 0.00 0.00 54.79 53.25 1z1s n ASP 78 Cb 0.07 -0.14 -0.17 0.00 -0.02 0.00 0.00 41.12 40.86 1z1s n ASP 78 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1z1s s LEU 79 N -1.06 1.72 0.02 0.64 2.96 -0.16 -0.84 118.68 121.96 1z1s s LEU 79 Ca 0.17 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1z1s s LEU 79 Cb 0.09 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 1z1s s LEU 79 CO 0.12 0.04 -0.17 0.00 -1.32 0.00 0.00 176.35 175.02 1z1s s ALA 80 N 0.76 1.45 -0.12 5.97 0.00 -0.27 -4.75 121.76 124.80 1z1s s ALA 80 Ca -0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1z1s s ALA 80 Cb -0.16 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.70 1z1s s ALA 80 CO 0.02 0.33 -0.00 0.42 0.00 0.00 0.00 175.76 176.53 1z1s s ILE 81 N -0.64 0.57 0.03 0.00 1.01 -1.26 -0.75 121.20 120.16 1z1s s ILE 81 Ca 0.05 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1z1s s ILE 81 Cb -0.08 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1z1s s ILE 81 CO 0.01 0.11 -0.09 -0.83 0.00 0.00 0.00 174.94 174.14 1z1s s GLY 82 N 1.87 0.52 -0.02 6.18 0.00 -0.55 -1.03 107.32 114.29 1z1s s GLY 82 Ca 0.03 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1z1s s GLY 82 CO -0.07 -0.65 -0.11 -0.54 0.00 0.00 0.00 173.10 171.73 1z1s s GLU 83 N -1.09 2.48 0.22 2.90 2.02 -0.37 -1.00 118.70 123.87 1z1s s GLU 83 Ca -0.04 -0.73 -0.23 0.00 0.02 0.00 0.00 54.97 53.99 1z1s s GLU 83 Cb -0.07 -2.42 0.04 0.00 0.10 0.00 0.00 34.13 31.78 1z1s s GLU 83 CO 0.00 0.61 0.82 -0.59 0.02 0.00 0.00 175.26 176.12 1z1s s PHE 84 N -0.86 -0.18 0.03 1.61 -0.12 -1.04 -0.72 117.98 116.70 1z1s s PHE 84 Ca 0.14 -0.20 0.08 0.00 -0.05 0.00 0.00 56.93 56.89 1z1s s PHE 84 Cb -0.11 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1z1s s PHE 84 CO 0.04 -1.05 -0.23 -1.58 -0.05 0.00 0.00 175.22 172.35 1z1s s HIS 85 N -3.64 2.06 -0.03 3.49 5.65 -1.26 -0.72 115.29 120.84 1z1s s HIS 85 Ca 0.11 -0.39 0.07 0.00 0.25 0.00 0.00 55.06 55.10 1z1s s HIS 85 Cb -0.04 -1.26 -0.02 0.00 -1.18 0.00 0.00 32.58 30.08 1z1s s HIS 85 CO 0.04 0.07 -0.25 0.20 -0.65 0.00 0.00 174.74 174.15 1z1s s GLY 86 N -1.00 1.30 -0.11 1.59 0.00 0.49 -0.63 107.32 108.95 1z1s s GLY 86 Ca 0.09 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1z1s s GLY 86 CO 0.01 -0.87 -0.21 0.99 0.00 0.00 0.00 173.10 173.01 1z1s s ASP 87 N -0.56 2.93 0.15 1.64 1.01 -0.16 -0.75 116.67 120.94 1z1s s ASP 87 Ca 0.08 -0.54 -0.05 0.00 0.71 0.00 0.00 52.55 52.74 1z1s s ASP 87 Cb -0.11 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.50 1z1s s ASP 87 CO -0.00 0.10 0.30 0.61 0.21 0.00 0.00 175.17 176.39 1z1s n GLY 88 N 3.84 1.70 2.94 0.21 0.00 -0.13 -0.52 105.19 113.24 1z1s n GLY 88 Ca -0.20 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 1z1s n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z1s s VAL 89 N -2.65 0.98 -0.32 1.61 1.01 -0.38 -0.21 120.40 120.44 1z1s s VAL 89 Ca 0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1z1s s VAL 89 Cb -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1z1s s VAL 89 CO 0.05 0.34 1.26 0.00 0.00 0.00 0.00 175.10 176.74 1z1s s ALA 90 N 1.20 3.36 0.16 5.51 0.00 0.21 -2.40 121.76 129.80 1z1s s ALA 90 Ca -0.05 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1z1s s ALA 90 Cb -0.14 -3.77 0.07 0.00 0.00 0.00 0.00 23.12 19.27 1z1s s ALA 90 CO -0.02 -1.79 1.74 1.15 0.00 0.00 0.00 175.76 176.84 1z1s h THR 91 N 5.96 0.86 -0.34 0.00 2.02 -1.37 0.16 112.91 120.21 1z1s h THR 91 Ca -0.25 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 1z1s h THR 91 Cb 1.09 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1z1s h THR 91 CO 1.04 0.04 -0.21 0.58 0.37 0.00 0.00 175.52 177.35 1z1s h VAL 92 N 0.24 1.29 0.00 3.16 2.07 -1.81 -3.18 116.25 118.01 1z1s h VAL 92 Ca 0.17 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1z1s h VAL 92 Cb 0.16 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1z1s h VAL 92 CO -0.19 0.44 -0.85 0.77 0.02 0.00 0.00 177.57 177.76 1z1s h SER 93 N 0.51 0.00 0.00 0.57 4.64 -1.85 -3.47 113.55 113.95 1z1s h SER 93 Ca 0.07 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1z1s h SER 93 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1z1s h SER 93 CO 0.06 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1z1s n GLY 94 N 1.20 1.24 3.77 -0.77 0.00 0.56 -4.99 105.19 106.19 1z1s n GLY 94 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1z1s n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1z1s s GLY 95 N -2.00 2.93 0.17 -0.02 0.00 -1.20 -4.68 107.32 102.53 1z1s s GLY 95 Ca 0.00 1.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 1z1s s GLY 95 CO 0.00 2.05 0.93 0.54 0.00 0.00 0.00 173.10 176.62 1z1s s LYS 96 N -2.28 4.76 -0.20 2.90 1.02 -1.26 -0.62 119.74 124.06 1z1s s LYS 96 Ca 0.57 1.44 -0.07 0.00 0.02 0.00 0.00 55.97 57.93 1z1s s LYS 96 Cb -0.43 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 1z1s s LYS 96 CO 0.56 0.39 0.04 -1.17 -0.92 0.00 0.00 175.35 174.25 1z1s s LEU 97 N -0.64 3.54 -0.24 3.17 2.96 0.71 -3.84 118.68 124.34 1z1s s LEU 97 Ca 0.43 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1z1s s LEU 97 Cb -0.24 -1.91 0.07 0.00 0.50 0.00 0.00 46.19 44.61 1z1s s LEU 97 CO 0.30 0.09 0.01 0.00 -1.32 0.00 0.00 176.35 175.44 1z1s s ALA 98 N 0.85 1.55 0.09 5.97 0.00 -1.26 -0.95 121.76 128.01 1z1s s ALA 98 Ca 0.03 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.87 1z1s s ALA 98 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1z1s s ALA 98 CO 0.02 -1.29 -0.19 -1.14 0.00 0.00 0.00 175.76 173.16 1z1s s GLN 99 N 1.60 1.06 -0.11 0.00 2.00 0.07 -4.86 119.66 119.42 1z1s s GLN 99 Ca -0.01 -1.10 0.01 0.00 -2.00 0.00 0.00 55.36 52.26 1z1s s GLN 99 Cb -0.18 -1.26 0.02 0.00 0.80 0.00 0.00 33.01 32.39 1z1s s GLN 99 CO -0.10 0.29 -0.11 -0.51 -0.50 0.00 0.00 175.29 174.36 1z1s s ASP 100 N -1.83 2.24 0.08 6.67 1.11 -1.26 -0.38 116.67 123.30 1z1s s ASP 100 Ca 0.04 -0.36 0.08 0.00 0.18 0.00 0.00 52.55 52.50 1z1s s ASP 100 Cb -0.10 -0.94 -0.04 0.00 1.07 0.00 0.00 42.92 42.91 1z1s s ASP 100 CO 0.04 -0.05 -0.20 -0.31 1.18 0.00 0.00 175.17 175.83 1z1s s TYR 101 N 1.34 2.51 -0.17 4.23 2.02 0.10 -3.80 117.35 123.57 1z1s s TYR 101 Ca -0.01 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1z1s s TYR 101 Cb -0.14 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1z1s s TYR 101 CO -0.05 0.31 -0.04 -1.50 -1.57 0.00 0.00 175.55 172.70 1z1s s ILE 102 N -1.03 1.02 -0.15 2.71 2.07 -0.91 -2.49 121.20 122.42 1z1s s ILE 102 Ca 0.16 -0.63 -0.07 0.00 -1.41 0.00 0.00 60.65 58.70 1z1s s ILE 102 Cb -0.10 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.19 1z1s s ILE 102 CO 0.07 0.07 0.07 -0.44 -1.91 0.00 0.00 174.94 172.81 1z1s s SER 103 N 1.66 5.79 -0.27 4.50 0.01 -0.17 -2.08 113.70 123.13 1z1s s SER 103 Ca 0.00 0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.41 1z1s s SER 103 Cb -0.16 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1z1s s SER 103 CO -0.07 0.26 0.02 -0.69 0.41 0.00 0.00 173.24 173.17 1z1s s VAL 104 N -0.17 3.60 -0.12 3.43 1.01 -0.45 -1.49 120.40 126.22 1z1s s VAL 104 Ca 0.08 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1z1s s VAL 104 Cb -0.12 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1z1s s VAL 104 CO 0.01 0.17 -0.15 -0.76 0.00 0.00 0.00 175.10 174.37 1z1s s LEU 105 N 1.45 2.58 -0.16 3.92 1.02 0.07 -0.57 118.68 127.00 1z1s s LEU 105 Ca 0.02 -0.37 -0.02 0.00 0.02 0.00 0.00 54.13 53.78 1z1s s LEU 105 Cb -0.17 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 1z1s s LEU 105 CO -0.00 0.17 -0.07 -0.13 0.02 0.00 0.00 176.35 176.34 1z1s s ARG 106 N 0.32 3.52 0.25 1.70 0.52 -0.15 -1.11 118.95 123.99 1z1s s ARG 106 Ca -0.12 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 1z1s s ARG 106 Cb -0.16 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1z1s s ARG 106 CO 0.06 0.15 -0.01 0.95 0.02 0.00 0.00 175.30 176.48 1z1s s THR 107 N 0.56 1.15 -0.20 0.02 -4.23 -0.02 -0.53 115.64 112.39 1z1s s THR 107 Ca -0.05 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.31 1z1s s THR 107 Cb -0.15 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.36 1z1s s THR 107 CO 0.03 -0.29 0.48 -0.60 -0.54 0.00 0.00 174.62 173.69 1z1s s ARG 108 N -3.84 0.46 -1.47 3.99 3.52 -0.31 -4.78 118.95 116.52 1z1s s ARG 108 Ca 0.29 0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 56.69 1z1s s ARG 108 Cb 0.06 0.05 0.08 0.00 -1.56 0.00 0.00 34.95 33.58 1z1s s ARG 108 CO 0.10 -0.16 0.75 -0.25 -0.81 0.00 0.00 175.30 174.92 1z1s n ASP 109 N 4.37 -4.36 0.00 -2.12 8.00 -1.26 -1.63 116.55 119.55 1z1s n ASP 109 Ca -0.21 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1z1s n ASP 109 Cb 0.56 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1z1s n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1z1s n GLY 110 N -1.45 0.55 3.46 0.44 0.00 -1.22 -4.80 105.19 102.17 1z1s n GLY 110 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1z1s n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1z1s s GLN 111 N -0.03 1.69 -0.17 1.61 -0.21 -0.65 -4.64 119.66 117.26 1z1s s GLN 111 Ca 0.00 -1.22 -0.29 0.00 0.02 0.00 0.00 55.36 53.88 1z1s s GLN 111 Cb 0.00 -2.06 -0.00 0.00 1.00 0.00 0.00 33.01 31.95 1z1s s GLN 111 CO 0.00 0.47 0.99 0.42 -2.12 0.00 0.00 175.29 175.06 1z1s s ILE 112 N -1.11 4.75 -0.12 1.08 1.01 -0.27 -1.16 121.20 125.37 1z1s s ILE 112 Ca 0.17 1.97 -0.03 0.00 0.00 0.00 0.00 60.65 62.76 1z1s s ILE 112 Cb -0.10 -4.28 -0.25 0.00 0.01 0.00 0.00 42.46 37.83 1z1s s ILE 112 CO 0.09 -0.08 0.35 0.18 0.00 0.00 0.00 174.94 175.48 1z1s n LEU 113 N 5.65 2.41 -3.71 2.97 4.77 0.31 -0.84 117.00 128.56 1z1s n LEU 113 Ca 0.10 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1z1s n LEU 113 Cb 0.47 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 1z1s n LEU 113 CO 0.51 0.80 -0.17 -0.22 -1.33 0.00 0.00 177.39 176.99 1z1s s LEU 114 N -6.85 0.27 -0.30 2.23 2.96 -0.77 -0.94 118.68 115.29 1z1s s LEU 114 Ca -0.21 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1z1s s LEU 114 Cb 0.07 0.57 0.07 0.00 0.50 0.00 0.00 46.19 47.40 1z1s s LEU 114 CO 0.76 -0.19 -0.03 -0.47 -1.32 0.00 0.00 176.35 175.11 1z1s s TYR 115 N 1.62 3.40 -0.44 5.38 6.04 0.30 -0.97 117.35 132.68 1z1s s TYR 115 Ca -0.05 -2.38 -0.10 0.00 0.04 0.00 0.00 57.07 54.57 1z1s s TYR 115 Cb -0.11 -2.28 0.09 0.00 -1.04 0.00 0.00 41.96 38.61 1z1s s TYR 115 CO -0.07 -0.88 0.30 0.50 -1.54 0.00 0.00 175.55 173.85 1z1s s ARG 116 N 1.09 2.66 -0.76 4.97 3.52 0.27 -1.02 118.95 129.68 1z1s s ARG 116 Ca -0.03 -1.50 -0.08 0.00 -0.13 0.00 0.00 55.73 53.99 1z1s s ARG 116 Cb -0.20 -3.88 0.20 0.00 -1.56 0.00 0.00 34.95 29.51 1z1s s ARG 116 CO -0.05 -1.01 0.64 0.34 -0.81 0.00 0.00 175.30 174.41 1z1s s ASP 117 N 2.33 6.08 0.09 -2.12 2.15 0.43 -1.35 116.67 124.29 1z1s s ASP 117 Ca 0.04 -2.85 -0.27 0.00 0.43 0.00 0.00 52.55 49.89 1z1s s ASP 117 Cb -0.24 -2.04 -0.06 0.00 -0.30 0.00 0.00 42.92 40.28 1z1s s ASP 117 CO 0.02 -0.45 0.85 -0.36 -0.17 0.00 0.00 175.17 175.06 1z1s s PHE 118 N -0.07 3.80 0.24 -5.34 0.08 -0.89 -4.08 117.98 111.72 1z1s s PHE 118 Ca 0.18 1.64 -0.18 0.00 0.12 0.00 0.00 56.93 58.69 1z1s s PHE 118 Cb -0.14 -2.91 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1z1s s PHE 118 CO -0.07 0.29 0.59 1.67 -0.10 0.00 0.00 175.22 177.60 1z1s s TRP 119 N -0.23 -0.01 -0.46 0.36 1.48 -1.26 -2.15 118.94 116.66 1z1s s TRP 119 Ca 0.41 -0.38 -0.25 0.00 -1.06 0.00 0.00 56.10 54.83 1z1s s TRP 119 Cb -0.22 0.46 0.03 0.00 -1.16 0.00 0.00 33.47 32.57 1z1s s TRP 119 CO 0.26 -1.06 0.91 1.21 -4.06 0.00 0.00 176.95 174.21 1z1s s ASN 120 N -2.93 6.48 0.51 -2.66 3.84 -1.25 -4.67 114.94 114.27 1z1s s ASN 120 Ca 0.14 0.08 0.25 0.00 0.21 0.00 0.00 52.86 53.54 1z1s s ASN 120 Cb -0.03 -2.44 1.38 0.00 -0.55 0.00 0.00 41.25 39.61 1z1s s ASN 120 CO 0.04 -1.04 2.06 1.55 -2.79 0.00 0.00 177.10 176.92 1z1s h PRO 121 N 9.08 0.00 -0.56 0.43 0.13 -1.93 -2.26 132.00 136.89 1z1s h PRO 121 Ca -0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 1z1s h PRO 121 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1z1s h PRO 121 CO 1.02 0.13 0.15 -0.07 -0.23 0.00 0.00 178.00 179.00 1z1s h LEU 122 N 0.00 0.84 -0.85 1.56 3.38 -1.98 -1.13 115.31 117.13 1z1s h LEU 122 Ca -0.00 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1z1s h LEU 122 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1z1s h LEU 122 CO 0.02 0.84 -0.29 0.03 0.09 0.00 0.00 178.44 179.13 1z1s h ARG 123 N 0.79 0.53 -0.43 1.13 2.47 -1.76 -1.37 114.38 115.74 1z1s h ARG 123 Ca 0.18 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1z1s h ARG 123 Cb 0.32 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1z1s h ARG 123 CO -0.00 0.76 -0.02 1.25 0.56 0.00 0.00 179.97 182.52 1z1s h HIS 124 N 0.46 0.84 -0.53 3.04 2.76 -1.21 -2.21 115.15 118.31 1z1s h HIS 124 Ca 0.06 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 1z1s h HIS 124 Cb 0.73 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 1z1s h HIS 124 CO 0.03 0.84 0.25 -0.07 -1.30 0.00 0.00 177.93 177.68 1z1s h LEU 125 N 0.60 0.67 -0.43 0.26 3.38 -1.04 -1.59 115.31 117.16 1z1s h LEU 125 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1z1s h LEU 125 Cb 0.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1z1s h LEU 125 CO 0.03 0.58 0.27 -0.33 0.09 0.00 0.00 178.44 179.07 1z1s h GLU 126 N 0.74 0.58 -0.47 1.13 5.08 -0.94 -1.47 114.58 119.22 1z1s h GLU 126 Ca 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1z1s h GLU 126 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1z1s h GLU 126 CO -0.02 0.41 0.26 0.00 -1.00 0.00 0.00 179.01 178.66 1z1s h ALA 127 N 1.13 0.61 0.00 3.43 0.00 -0.97 -2.87 119.26 120.59 1z1s h ALA 127 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1z1s h ALA 127 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1z1s h ALA 127 CO -0.03 0.13 -0.18 -0.07 0.00 0.00 0.00 179.25 179.09 1z1s h LEU 128 N 0.63 0.00 -1.88 0.00 4.07 -1.07 -3.32 115.31 113.73 1z1s h LEU 128 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1z1s h LEU 128 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1z1s h LEU 128 CO -0.03 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.13