#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgz s SER -2 N 0.00 0.29 -0.42 1.61 0.15 -1.26 -3.00 113.70 111.07 1sgz s SER -2 Ca 0.00 0.52 0.10 0.00 0.70 0.00 0.00 55.95 57.27 1sgz s SER -2 Cb 0.00 0.54 0.41 0.00 -1.71 0.00 0.00 66.02 65.26 1sgz s SER -2 CO 0.00 -0.22 0.97 0.49 1.20 0.00 0.00 173.24 175.67 1sgz n PHE -1 N 5.08 2.28 -0.36 3.44 3.01 -1.26 -4.95 117.46 124.70 1sgz n PHE -1 Ca -0.10 -3.30 0.28 0.00 1.01 0.00 0.00 57.45 55.33 1sgz n PHE -1 Cb 0.50 -0.31 0.54 0.00 -0.01 0.00 0.00 39.48 40.20 1sgz n PHE -1 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1sgz h VAL 0 N 2.51 0.28 0.00 -4.37 -1.51 -1.96 0.28 116.25 111.48 1sgz h VAL 0 Ca 0.11 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1sgz h VAL 0 Cb 0.93 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1sgz h VAL 0 CO 0.68 0.05 -0.00 1.05 -1.23 0.00 0.00 177.57 178.11 1sgz h GLU 1 N 0.26 0.00 -0.00 5.19 9.09 -1.97 -2.12 114.58 125.03 1sgz h GLU 1 Ca 0.74 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.15 1sgz h GLU 1 Cb 1.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.03 1sgz h GLU 1 CO -0.50 0.00 -0.85 -1.33 0.05 0.00 0.00 179.01 176.39 1sgz n MET 2 N -3.09 0.88 -1.96 1.06 2.81 0.99 -4.59 117.12 113.21 1sgz n MET 2 Ca -0.02 -0.07 -0.41 0.00 -1.81 0.00 0.00 57.70 55.39 1sgz n MET 2 Cb 0.11 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 1sgz n MET 2 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1sgz s VAL 3 N -2.72 2.46 -1.28 2.03 1.01 -0.80 -2.73 120.40 118.38 1sgz s VAL 3 Ca 0.08 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1sgz s VAL 3 Cb 0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1sgz s VAL 3 CO 0.75 0.09 0.55 0.47 0.00 0.00 0.00 175.10 176.96 1sgz n ASP 4 N 1.45 -5.39 -0.97 3.32 10.43 -1.18 -4.91 116.55 119.30 1sgz n ASP 4 Ca 0.04 -0.26 0.09 0.00 2.57 0.00 0.00 54.79 57.23 1sgz n ASP 4 Cb 0.40 -4.21 0.25 0.00 1.84 0.00 0.00 41.12 39.40 1sgz n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1sgz n ASN 5 N -1.82 2.82 -4.59 -2.24 6.94 -0.89 -4.85 115.26 110.62 1sgz n ASN 5 Ca -0.08 -1.97 -0.24 0.00 -0.02 0.00 0.00 54.58 52.27 1sgz n ASN 5 Cb 0.60 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.61 1sgz n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1sgz s LEU 6 N -1.10 3.00 0.08 -4.53 1.43 -0.58 -4.39 118.68 112.60 1sgz s LEU 6 Ca 0.36 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1sgz s LEU 6 Cb 0.19 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1sgz s LEU 6 CO 0.25 0.02 0.09 -0.13 0.23 0.00 0.00 176.35 176.82 1sgz s ARG 7 N -3.54 0.77 0.00 1.70 0.52 -0.86 0.27 118.95 117.81 1sgz s ARG 7 Ca 0.30 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1sgz s ARG 7 Cb -0.06 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.69 1sgz s ARG 7 CO 0.18 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1sgz n GLY 8 N -0.00 0.61 3.56 -3.53 0.00 -1.26 -0.54 105.19 104.02 1sgz n GLY 8 Ca -0.13 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 1sgz n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgz s LYS 9 N -0.59 1.36 0.34 1.61 -2.85 -0.95 -4.75 119.74 113.91 1sgz s LYS 9 Ca 0.00 -0.60 0.08 0.00 -1.00 0.00 0.00 55.97 54.45 1sgz s LYS 9 Cb 0.00 0.57 0.79 0.00 -2.06 0.00 0.00 37.83 37.12 1sgz s LYS 9 CO 0.00 -0.61 1.83 0.66 0.10 0.00 0.00 175.35 177.33 1sgz h SER 10 N 2.00 0.71 -0.28 0.03 4.64 -1.93 0.15 113.55 118.86 1sgz h SER 10 Ca -0.29 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.02 1sgz h SER 10 Cb 1.28 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1sgz h SER 10 CO 0.33 0.32 -0.07 1.23 -0.87 0.00 0.00 176.83 177.77 1sgz h GLY 11 N 0.73 0.72 0.00 -0.77 0.00 -1.96 -3.33 103.07 98.46 1sgz h GLY 11 Ca 0.50 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sgz h GLY 11 CO -0.27 0.46 0.00 -1.06 0.00 0.00 0.00 176.54 175.67 1sgz n GLN 12 N -4.20 1.62 0.00 4.80 6.02 -1.02 -4.93 117.38 119.67 1sgz n GLN 12 Ca 0.01 -1.14 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 1sgz n GLN 12 Cb 0.32 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.60 1sgz n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgz n GLY 13 N -0.32 0.68 3.56 1.08 0.00 0.48 -4.88 105.19 105.79 1sgz n GLY 13 Ca 0.00 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1sgz n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sgz s TYR 14 N -2.92 3.05 0.16 1.61 1.51 -1.26 -2.24 117.35 117.27 1sgz s TYR 14 Ca 0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1sgz s TYR 14 Cb 0.00 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1sgz s TYR 14 CO 0.00 0.14 -0.13 1.52 -1.11 0.00 0.00 175.55 175.97 1sgz s TYR 15 N -0.08 1.50 0.14 2.71 -0.85 0.30 -0.79 117.35 120.27 1sgz s TYR 15 Ca 0.02 -0.62 0.09 0.00 -0.52 0.00 0.00 57.07 56.05 1sgz s TYR 15 Cb -0.13 -0.74 -0.04 0.00 0.38 0.00 0.00 41.96 41.43 1sgz s TYR 15 CO 0.02 0.22 -0.20 0.54 -1.52 0.00 0.00 175.55 174.61 1sgz s VAL 16 N -2.78 1.84 0.14 -3.49 0.11 0.40 -2.03 120.40 114.58 1sgz s VAL 16 Ca 0.16 -1.77 -0.29 0.00 -2.93 0.00 0.00 61.98 57.16 1sgz s VAL 16 Cb -0.01 -1.76 -0.07 0.00 -1.53 0.00 0.00 36.38 33.01 1sgz s VAL 16 CO 0.04 -0.18 0.91 -0.70 -3.33 0.00 0.00 175.10 171.84 1sgz s GLU 17 N -2.40 4.70 0.13 1.54 2.12 -1.26 -0.25 118.70 123.28 1sgz s GLU 17 Ca 0.12 1.38 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 1sgz s GLU 17 Cb -0.08 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1sgz s GLU 17 CO 0.06 0.32 0.10 -1.64 -0.54 0.00 0.00 175.26 173.56 1sgz s MET 18 N -0.38 0.93 -0.01 4.30 -1.94 -0.25 -4.16 119.30 117.79 1sgz s MET 18 Ca 0.43 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 53.12 1sgz s MET 18 Cb -0.24 0.27 -0.01 0.00 2.01 0.00 0.00 34.83 36.86 1sgz s MET 18 CO 0.29 -0.28 -0.14 0.95 -0.01 0.00 0.00 175.02 175.83 1sgz s THR 19 N -4.01 1.10 0.05 2.05 -4.23 -0.34 -0.65 115.64 109.61 1sgz s THR 19 Ca 0.20 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 60.18 1sgz s THR 19 Cb 0.07 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 1sgz s THR 19 CO -0.01 0.31 -0.21 0.68 -0.54 0.00 0.00 174.62 174.86 1sgz s VAL 20 N -0.33 1.67 0.06 2.29 -7.23 0.19 -1.69 120.40 115.35 1sgz s VAL 20 Ca 0.05 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1sgz s VAL 20 Cb -0.05 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1sgz s VAL 20 CO -0.01 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1sgz n GLY 21 N 1.74 -1.45 2.85 2.32 0.00 -0.20 -0.23 105.19 110.22 1sgz n GLY 21 Ca -0.17 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 1sgz n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgz s SER 22 N -3.12 2.11 0.94 1.61 0.01 -1.26 -2.64 113.70 111.35 1sgz s SER 22 Ca 0.00 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 56.84 1sgz s SER 22 Cb 0.00 -0.70 0.15 0.00 0.21 0.00 0.00 66.02 65.68 1sgz s SER 22 CO 0.00 -0.16 1.10 -2.16 0.41 0.00 0.00 173.24 172.42 1sgz s PRO 23 N 1.80 0.89 0.11 12.44 0.04 -1.26 -1.12 135.00 147.89 1sgz s PRO 23 Ca 0.04 1.15 -0.33 0.00 0.04 0.00 0.00 61.00 61.90 1sgz s PRO 23 Cb -0.13 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 1sgz s PRO 23 CO -0.07 -2.59 1.71 -2.30 0.04 0.00 0.00 177.00 173.78 1sgz n PRO 24 N -4.17 2.35 -3.74 0.56 -0.02 -1.08 -4.91 135.00 124.00 1sgz n PRO 24 Ca 0.08 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 62.05 1sgz n PRO 24 Cb 0.53 -2.67 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 1sgz n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sgz s GLN 25 N 1.92 3.59 0.03 -0.52 -0.21 0.68 -4.88 119.66 120.28 1sgz s GLN 25 Ca 0.82 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 55.38 1sgz s GLN 25 Cb -0.62 -3.37 -0.04 0.00 1.00 0.00 0.00 33.01 29.98 1sgz s GLN 25 CO 0.40 -0.23 0.94 0.99 -2.12 0.00 0.00 175.29 175.27 1sgz s THR 26 N 1.61 4.77 0.02 -0.19 2.01 -1.26 -0.64 115.64 121.97 1sgz s THR 26 Ca 0.06 1.99 -0.02 0.00 0.31 0.00 0.00 61.69 64.03 1sgz s THR 26 Cb -0.15 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 1sgz s THR 26 CO 0.04 0.22 0.01 -0.76 -0.69 0.00 0.00 174.62 173.44 1sgz s LEU 27 N 0.66 2.11 -0.22 4.42 1.43 0.18 -4.95 118.68 122.30 1sgz s LEU 27 Ca 0.49 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 1sgz s LEU 27 Cb -0.21 0.25 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 1sgz s LEU 27 CO 0.27 -0.36 0.37 0.20 0.23 0.00 0.00 176.35 177.07 1sgz s ASN 28 N -1.64 6.37 -0.12 2.29 0.02 -1.26 -1.10 114.94 119.50 1sgz s ASN 28 Ca -0.13 0.43 0.03 0.00 -1.02 0.00 0.00 52.86 52.18 1sgz s ASN 28 Cb -0.07 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 38.99 1sgz s ASN 28 CO -0.02 -0.09 -0.23 -0.63 0.02 0.00 0.00 177.10 176.15 1sgz s ILE 29 N 1.46 2.05 0.20 0.60 -1.09 0.66 0.20 121.20 125.29 1sgz s ILE 29 Ca 0.17 -0.99 -0.31 0.00 -2.23 0.00 0.00 60.65 57.29 1sgz s ILE 29 Cb -0.15 -1.79 -0.11 0.00 -1.58 0.00 0.00 42.46 38.84 1sgz s ILE 29 CO 0.08 0.55 1.60 -0.22 -1.23 0.00 0.00 174.94 175.72 1sgz s LEU 30 N 0.57 4.37 -0.37 2.97 2.96 0.17 -0.45 118.68 128.90 1sgz s LEU 30 Ca -0.13 2.73 -0.25 0.00 -0.22 0.00 0.00 54.13 56.26 1sgz s LEU 30 Cb -0.17 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1sgz s LEU 30 CO 0.04 -0.86 0.88 -0.69 -1.32 0.00 0.00 176.35 174.40 1sgz s VAL 31 N 0.87 4.63 -0.28 1.68 1.01 0.03 -0.04 120.40 128.29 1sgz s VAL 31 Ca 0.69 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1sgz s VAL 31 Cb -0.46 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 31.71 1sgz s VAL 31 CO 0.35 -0.53 0.03 -0.62 0.00 0.00 0.00 175.10 174.33 1sgz s ASP 32 N 1.89 3.99 0.00 3.32 2.15 -0.54 -4.26 116.67 123.22 1sgz s ASP 32 Ca 0.36 -1.49 0.30 0.00 0.43 0.00 0.00 52.55 52.15 1sgz s ASP 32 Cb -0.12 -1.09 1.45 0.00 -0.30 0.00 0.00 42.92 42.86 1sgz s ASP 32 CO 0.19 -0.33 1.98 0.35 -0.17 0.00 0.00 175.17 177.18 1sgz n THR 33 N 4.70 0.00 -0.41 1.71 -2.24 -1.26 0.01 114.28 116.78 1sgz n THR 33 Ca -0.05 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1sgz n THR 33 Cb 0.43 -0.14 0.33 0.00 -2.10 0.00 0.00 70.33 68.86 1sgz n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgz n GLY 34 N 1.16 2.51 3.48 3.38 0.00 -1.26 -4.11 105.19 110.35 1sgz n GLY 34 Ca 0.19 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1sgz n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgz s SER 35 N -0.97 0.41 -0.00 1.61 1.04 -1.24 -4.98 113.70 109.57 1sgz s SER 35 Ca 0.50 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1sgz s SER 35 Cb 0.27 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.99 1sgz s SER 35 CO 0.31 -1.16 0.73 -1.20 0.98 0.00 0.00 173.24 172.90 1sgz n SER 36 N -0.83 0.86 -4.78 7.02 7.64 -1.26 -0.30 113.62 121.97 1sgz n SER 36 Ca 0.00 -1.47 -0.36 0.00 1.01 0.00 0.00 58.87 58.05 1sgz n SER 36 Cb 0.62 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 1sgz n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1sgz s ASN 37 N -0.49 5.77 -0.36 6.43 -0.87 -1.26 -4.49 114.94 119.67 1sgz s ASN 37 Ca 0.01 0.29 -0.16 0.00 -1.57 0.00 0.00 52.86 51.42 1sgz s ASN 37 Cb 0.01 -1.74 -0.00 0.00 -0.02 0.00 0.00 41.25 39.49 1sgz s ASN 37 CO 0.00 0.38 0.41 0.12 -2.57 0.00 0.00 177.10 175.44 1sgz s PHE 38 N -0.97 3.19 -0.02 2.20 5.99 -1.26 -1.64 117.98 125.47 1sgz s PHE 38 Ca 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 56.93 57.02 1sgz s PHE 38 Cb -0.12 -2.78 0.01 0.00 0.00 0.00 0.00 43.02 40.13 1sgz s PHE 38 CO 0.04 -0.52 -0.04 0.00 -0.00 0.00 0.00 175.22 174.70 1sgz s ALA 39 N 2.12 0.46 0.02 11.12 0.00 -0.66 -0.93 121.76 133.90 1sgz s ALA 39 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1sgz s ALA 39 Cb -0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1sgz s ALA 39 CO 0.12 0.05 -0.11 0.14 0.00 0.00 0.00 175.76 175.97 1sgz s VAL 40 N 0.28 0.84 0.22 0.00 -7.23 -0.70 0.26 120.40 114.07 1sgz s VAL 40 Ca -0.03 -0.79 -0.32 0.00 -1.81 0.00 0.00 61.98 59.03 1sgz s VAL 40 Cb -0.07 -0.77 -0.13 0.00 0.56 0.00 0.00 36.38 35.97 1sgz s VAL 40 CO -0.00 -0.01 1.49 0.61 -0.31 0.00 0.00 175.10 176.88 1sgz n GLY 41 N 2.16 0.97 0.06 2.32 0.00 0.41 -0.90 105.19 110.20 1sgz n GLY 41 Ca -0.17 0.55 0.03 0.00 0.00 0.00 0.00 46.02 46.43 1sgz n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgz n ALA 42 N 2.50 1.95 -3.15 4.61 0.00 -0.13 -0.38 120.51 125.90 1sgz n ALA 42 Ca 0.13 -1.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.03 1sgz n ALA 42 Cb 0.31 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 1sgz n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sgz s ALA 43 N -1.36 -1.09 0.40 0.00 0.00 -1.25 -4.69 121.76 113.77 1sgz s ALA 43 Ca 0.10 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 1sgz s ALA 43 Cb 0.08 0.52 -0.11 0.00 0.00 0.00 0.00 23.12 23.61 1sgz s ALA 43 CO 0.01 -0.56 1.16 -0.35 0.00 0.00 0.00 175.76 176.02 1sgz n PRO 44 N 0.16 1.70 -3.76 0.00 -0.04 -1.26 -4.91 135.00 126.89 1sgz n PRO 44 Ca -0.17 0.60 -0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1sgz n PRO 44 Cb 0.62 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 1sgz n PRO 44 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1sgz s HIS 45 N -1.20 -0.29 0.39 0.54 2.46 -1.26 -5.05 115.29 110.89 1sgz s HIS 45 Ca 0.61 0.62 0.18 0.00 0.47 0.00 0.00 55.06 56.94 1sgz s HIS 45 Cb -0.55 0.11 1.09 0.00 -0.13 0.00 0.00 32.58 33.10 1sgz s HIS 45 CO 0.58 -0.28 1.77 -1.35 -2.47 0.00 0.00 174.74 173.00 1sgz h PRO 46 N 4.82 0.40 -0.72 2.88 0.11 -2.00 -1.80 132.00 135.68 1sgz h PRO 46 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sgz h PRO 46 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sgz h PRO 46 CO 0.34 0.26 0.00 1.19 -0.21 0.00 0.00 178.00 179.58 1sgz n PHE 47 N -4.64 1.00 -4.49 0.65 0.99 -1.26 -4.91 117.46 104.80 1sgz n PHE 47 Ca 0.25 -0.49 -0.34 0.00 -0.00 0.00 0.00 57.45 56.88 1sgz n PHE 47 Cb 0.86 -0.02 -0.14 0.00 -1.00 0.00 0.00 39.48 39.19 1sgz n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1sgz s LEU 48 N -1.06 2.92 0.16 4.37 1.43 -0.68 -4.69 118.68 121.14 1sgz s LEU 48 Ca 0.48 -0.27 0.14 0.00 -1.03 0.00 0.00 54.13 53.45 1sgz s LEU 48 Cb 0.26 -1.69 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 1sgz s LEU 48 CO 0.32 0.13 1.17 -0.74 0.23 0.00 0.00 176.35 177.46 1sgz h HIS 49 N 6.96 0.00 -3.49 0.29 -0.00 -1.91 -3.42 115.15 113.59 1sgz h HIS 49 Ca -0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.02 1sgz h HIS 49 Cb 1.20 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.49 1sgz h HIS 49 CO 0.53 0.65 -0.09 -0.98 -0.00 0.00 0.00 177.93 178.03 1sgz s ARG 50 N -2.88 1.26 0.27 5.26 1.70 -1.26 -5.13 118.95 118.17 1sgz s ARG 50 Ca 0.01 -0.93 -0.17 0.00 -0.47 0.00 0.00 55.73 54.17 1sgz s ARG 50 Cb 0.08 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1sgz s ARG 50 CO 0.78 -0.51 0.60 1.52 -1.08 0.00 0.00 175.30 176.62 1sgz s TYR 51 N -3.89 0.08 -0.14 5.89 -0.85 -1.26 -4.90 117.35 112.27 1sgz s TYR 51 Ca 0.10 -0.49 -0.29 0.00 -0.52 0.00 0.00 57.07 55.87 1sgz s TYR 51 Cb 0.01 0.46 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1sgz s TYR 51 CO -0.04 -1.12 1.48 -0.47 -1.52 0.00 0.00 175.55 173.88 1sgz s TYR 52 N -3.96 2.38 -0.70 -3.49 5.04 0.49 -4.95 117.35 112.16 1sgz s TYR 52 Ca 0.17 0.61 -0.07 0.00 -2.44 0.00 0.00 57.07 55.34 1sgz s TYR 52 Cb -0.03 -3.77 0.18 0.00 0.35 0.00 0.00 41.96 38.69 1sgz s TYR 52 CO 0.08 -2.73 0.56 -0.65 -1.34 0.00 0.00 175.55 171.47 1sgz s GLN 53 N 3.95 2.94 0.26 4.97 -0.21 -1.26 -4.44 119.66 125.88 1sgz s GLN 53 Ca 0.65 -2.52 -0.02 0.00 0.02 0.00 0.00 55.36 53.48 1sgz s GLN 53 Cb -0.26 -3.98 0.45 0.00 1.00 0.00 0.00 33.01 30.21 1sgz s GLN 53 CO 0.23 -1.22 1.82 0.00 -2.12 0.00 0.00 175.29 174.01 1sgz h ARG 54 N 7.28 0.86 0.00 2.91 3.08 -1.93 -1.29 114.38 125.28 1sgz h ARG 54 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1sgz h ARG 54 Cb 0.98 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1sgz h ARG 54 CO 0.73 0.57 0.10 1.96 -1.07 0.00 0.00 179.97 182.26 1sgz h GLN 55 N 0.89 0.00 -0.17 0.04 4.20 -2.00 -0.11 115.11 117.95 1sgz h GLN 55 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1sgz h GLN 55 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1sgz h GLN 55 CO -0.25 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.19 1sgz n LEU 56 N -2.97 2.67 -4.38 1.46 4.77 -0.49 -4.84 117.00 113.21 1sgz n LEU 56 Ca -0.03 -1.02 -0.37 0.00 -0.03 0.00 0.00 56.01 54.56 1sgz n LEU 56 Cb 0.16 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.02 1sgz n LEU 56 CO 0.17 0.51 -0.28 -0.55 -1.33 0.00 0.00 177.39 175.91 1sgz s SER 57 N -1.75 5.06 0.58 -1.43 0.15 -0.06 -4.23 113.70 112.01 1sgz s SER 57 Ca 0.34 -0.49 0.36 0.00 0.70 0.00 0.00 55.95 56.86 1sgz s SER 57 Cb 0.21 -1.89 1.62 0.00 -1.71 0.00 0.00 66.02 64.25 1sgz s SER 57 CO 0.30 -0.12 2.08 0.77 1.20 0.00 0.00 173.24 177.48 1sgz h SER 58 N 8.23 0.00 -0.34 5.45 4.64 -1.41 -2.85 113.55 127.28 1sgz h SER 58 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1sgz h SER 58 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1sgz h SER 58 CO 0.60 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 1sgz n THR 59 N -3.11 0.44 -1.95 2.95 -2.24 -1.26 -4.98 114.28 104.13 1sgz n THR 59 Ca -0.00 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1sgz n THR 59 Cb 0.25 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 1sgz n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1sgz s TYR 60 N -1.53 2.94 -0.15 4.78 5.04 -1.08 -4.53 117.35 122.83 1sgz s TYR 60 Ca 0.37 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 1sgz s TYR 60 Cb 0.22 -3.88 0.02 0.00 0.35 0.00 0.00 41.96 38.67 1sgz s TYR 60 CO 0.31 -2.86 -0.13 1.03 -1.34 0.00 0.00 175.55 172.56 1sgz s ARG 61 N -0.56 2.20 -0.13 4.97 0.52 -0.10 -4.99 118.95 120.86 1sgz s ARG 61 Ca 0.59 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.98 1sgz s ARG 61 Cb -0.43 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 1sgz s ARG 61 CO 0.46 -0.24 1.02 0.34 0.02 0.00 0.00 175.30 176.89 1sgz s ASP 62 N 1.51 7.22 0.00 0.23 -1.08 -1.26 -0.93 116.67 122.36 1sgz s ASP 62 Ca 0.05 1.51 0.27 0.00 -0.52 0.00 0.00 52.55 53.86 1sgz s ASP 62 Cb -0.13 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.63 1sgz s ASP 62 CO -0.10 -0.49 1.63 0.18 0.52 0.00 0.00 175.17 176.91 1sgz n LEU 63 N 5.25 1.74 -3.92 -1.34 4.77 -0.72 -4.96 117.00 117.82 1sgz n LEU 63 Ca 0.09 -0.58 -0.27 0.00 -0.03 0.00 0.00 56.01 55.23 1sgz n LEU 63 Cb 0.48 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1sgz n LEU 63 CO 0.52 0.29 -0.11 0.54 -1.33 0.00 0.00 177.39 177.31 1sgz n ARG 64 N 0.31 -4.08 -3.73 3.23 1.74 -1.26 -4.98 116.66 107.90 1sgz n ARG 64 Ca 0.17 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.62 1sgz n ARG 64 Cb 0.40 -4.94 -0.11 0.00 -1.02 0.00 0.00 32.46 26.79 1sgz n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1sgz s LYS 65 N -6.47 0.38 0.59 5.56 2.20 -1.26 -5.05 119.74 115.69 1sgz s LYS 65 Ca 0.22 0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 56.40 1sgz s LYS 65 Cb -0.11 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.32 1sgz s LYS 65 CO 0.86 -0.10 0.85 0.20 -0.36 0.00 0.00 175.35 176.80 1sgz s GLY 66 N 0.76 1.70 -0.13 5.54 0.00 -1.26 -0.15 107.32 113.79 1sgz s GLY 66 Ca -0.05 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 1sgz s GLY 66 CO -0.05 -0.74 0.33 0.54 0.00 0.00 0.00 173.10 173.17 1sgz s VAL 67 N -2.91 -0.01 -0.10 1.40 0.11 -0.13 -4.78 120.40 113.99 1sgz s VAL 67 Ca 0.56 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1sgz s VAL 67 Cb -0.10 -0.47 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1sgz s VAL 67 CO 0.41 0.01 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.67 1sgz s TYR 68 N 0.35 1.20 -0.33 1.54 5.04 -1.26 -0.22 117.35 123.66 1sgz s TYR 68 Ca -0.01 -0.54 0.03 0.00 -2.44 0.00 0.00 57.07 54.11 1sgz s TYR 68 Cb -0.03 -1.08 0.09 0.00 0.35 0.00 0.00 41.96 41.29 1sgz s TYR 68 CO -0.01 -0.44 0.04 0.08 -1.34 0.00 0.00 175.55 173.88 1sgz s VAL 69 N 1.75 2.35 0.19 3.14 1.01 0.14 -4.98 120.40 124.00 1sgz s VAL 69 Ca 0.04 -2.21 0.04 0.00 0.00 0.00 0.00 61.98 59.85 1sgz s VAL 69 Cb -0.13 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1sgz s VAL 69 CO -0.07 -0.52 0.30 -2.16 0.00 0.00 0.00 175.10 172.66 1sgz s PRO 70 N 0.95 3.39 0.11 2.72 0.04 -1.26 -0.70 135.00 140.24 1sgz s PRO 70 Ca 0.08 -0.70 -0.26 0.00 0.04 0.00 0.00 61.00 60.16 1sgz s PRO 70 Cb -0.19 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.52 1sgz s PRO 70 CO -0.07 0.47 0.82 1.52 0.04 0.00 0.00 177.00 179.78 1sgz s TYR 71 N -1.86 -0.32 0.00 0.56 -0.85 -0.69 -4.97 117.35 109.22 1sgz s TYR 71 Ca 0.34 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 1sgz s TYR 71 Cb -0.10 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1sgz s TYR 71 CO 0.28 -0.77 0.00 0.25 -1.52 0.00 0.00 175.55 173.79 1sgz n THR 72 N -0.36 0.00 -3.89 -3.49 -2.24 -1.26 -2.53 114.28 100.52 1sgz n THR 72 Ca -0.09 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 1sgz n THR 72 Cb 0.62 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.72 1sgz n THR 72 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1sgz s GLN 73 N -0.03 2.14 0.00 -0.78 0.74 -1.26 -5.04 119.66 115.43 1sgz s GLN 73 Ca 0.00 -2.59 0.00 0.00 0.05 0.00 0.00 55.36 52.82 1sgz s GLN 73 Cb 0.00 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1sgz s GLN 73 CO 0.00 -1.13 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 1sgz n GLY 74 N 3.22 -0.12 0.00 2.59 0.00 -1.05 -4.74 105.19 105.10 1sgz n GLY 74 Ca 0.06 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1sgz n GLY 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sgz n LYS 75 N 0.00 -2.38 -3.73 1.61 -0.00 0.12 -1.70 118.16 112.08 1sgz n LYS 75 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1sgz n LYS 75 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 1sgz n LYS 75 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 1sgz s TRP 76 N -2.43 -0.24 0.04 5.58 1.48 0.12 -0.50 118.94 122.99 1sgz s TRP 76 Ca 0.00 0.37 -0.03 0.00 -1.06 0.00 0.00 56.10 55.38 1sgz s TRP 76 Cb 0.00 0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.43 1sgz s TRP 76 CO 0.00 -0.42 0.04 -1.83 -4.06 0.00 0.00 176.95 170.68 1sgz s GLU 77 N -1.34 0.54 0.00 3.25 -1.05 0.74 0.25 118.70 121.09 1sgz s GLU 77 Ca -0.13 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 1sgz s GLU 77 Cb -0.04 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1sgz s GLU 77 CO 0.05 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.55 1sgz n GLY 78 N 0.76 1.91 3.17 -3.83 0.00 0.69 -1.51 105.19 106.37 1sgz n GLY 78 Ca -0.19 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1sgz n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sgz s GLU 79 N -0.03 2.65 0.37 1.61 2.02 -0.02 -0.95 118.70 124.36 1sgz s GLU 79 Ca 0.00 -0.75 -0.25 0.00 0.02 0.00 0.00 54.97 53.99 1sgz s GLU 79 Cb 0.00 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 32.09 1sgz s GLU 79 CO 0.00 0.15 1.00 -0.51 0.02 0.00 0.00 175.26 175.92 1sgz s LEU 80 N 0.40 4.21 0.17 1.80 1.43 0.79 -0.97 118.68 126.51 1sgz s LEU 80 Ca -0.17 1.93 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 1sgz s LEU 80 Cb -0.17 -4.14 0.08 0.00 0.03 0.00 0.00 46.19 41.98 1sgz s LEU 80 CO 0.07 -0.30 1.05 -0.83 0.23 0.00 0.00 176.35 176.57 1sgz s GLY 81 N -1.63 0.11 0.18 -3.19 0.00 -0.72 -1.76 107.32 100.30 1sgz s GLY 81 Ca 0.55 -0.32 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1sgz s GLY 81 CO 0.25 2.70 -0.07 -0.51 0.00 0.00 0.00 173.10 175.47 1sgz s THR 82 N -2.14 1.15 0.06 0.90 -4.23 -0.10 0.13 115.64 111.42 1sgz s THR 82 Ca 0.23 -2.06 -0.28 0.00 -1.18 0.00 0.00 61.69 58.40 1sgz s THR 82 Cb -0.03 -2.03 0.09 0.00 1.34 0.00 0.00 72.50 71.88 1sgz s THR 82 CO 0.05 -0.60 1.07 -0.62 -0.54 0.00 0.00 174.62 173.98 1sgz s ASP 83 N -3.22 -0.16 0.19 3.99 -1.08 -0.89 -0.92 116.67 114.57 1sgz s ASP 83 Ca 0.21 -0.26 -0.30 0.00 -0.52 0.00 0.00 52.55 51.68 1sgz s ASP 83 Cb 0.03 0.36 -0.08 0.00 -1.46 0.00 0.00 42.92 41.77 1sgz s ASP 83 CO 0.04 -0.65 0.95 -0.76 0.52 0.00 0.00 175.17 175.27 1sgz s LEU 84 N -2.86 4.58 0.02 -1.34 1.43 -1.26 -1.60 118.68 117.65 1sgz s LEU 84 Ca 0.12 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1sgz s LEU 84 Cb 0.01 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1sgz s LEU 84 CO -0.01 0.05 -0.10 -0.69 0.23 0.00 0.00 176.35 175.83 1sgz s VAL 85 N -0.67 0.78 0.11 -1.59 1.01 0.73 -1.04 120.40 119.73 1sgz s VAL 85 Ca 0.44 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1sgz s VAL 85 Cb -0.25 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1sgz s VAL 85 CO 0.31 0.00 0.04 -0.44 0.00 0.00 0.00 175.10 175.02 1sgz s SER 86 N -0.80 0.35 -0.37 3.32 0.01 -0.68 -1.44 113.70 114.09 1sgz s SER 86 Ca -0.00 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.16 1sgz s SER 86 Cb -0.06 0.27 0.11 0.00 0.21 0.00 0.00 66.02 66.55 1sgz s SER 86 CO 0.00 -0.69 0.13 -0.63 0.41 0.00 0.00 173.24 172.46 1sgz s ILE 87 N -4.00 1.63 0.24 1.44 1.01 -1.26 -1.20 121.20 119.05 1sgz s ILE 87 Ca 0.18 -2.15 -0.16 0.00 0.00 0.00 0.00 60.65 58.52 1sgz s ILE 87 Cb 0.07 -2.19 0.27 0.00 0.01 0.00 0.00 42.46 40.63 1sgz s ILE 87 CO -0.02 -0.71 1.56 -0.65 0.00 0.00 0.00 174.94 175.12 1sgz h PRO 88 N 7.49 -0.02 -2.38 2.79 0.11 -1.90 -1.04 132.00 137.05 1sgz h PRO 88 Ca -0.07 0.00 -0.81 0.00 0.11 0.00 0.00 66.00 65.23 1sgz h PRO 88 Cb 0.99 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.83 1sgz h PRO 88 CO 0.51 -0.01 0.97 0.72 -0.21 0.00 0.00 178.00 179.99 1sgz n HIS 89 N -5.50 2.67 -2.15 0.65 8.25 -1.26 -4.88 115.22 113.00 1sgz n HIS 89 Ca 0.11 -2.57 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 1sgz n HIS 89 Cb 0.41 -1.20 0.00 0.00 1.12 0.00 0.00 29.99 30.32 1sgz n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sgz n GLY 90 N 0.22 3.68 3.73 -1.41 0.00 -0.39 -4.55 105.19 106.45 1sgz n GLY 90 Ca 0.43 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1sgz n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sgz s PRO 91 N 1.14 2.17 -1.41 1.61 0.04 -1.26 -4.86 135.00 132.43 1sgz s PRO 91 Ca 0.00 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 1sgz s PRO 91 Cb 0.00 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.77 1sgz s PRO 91 CO 0.00 -1.79 2.17 -1.71 0.04 0.00 0.00 177.00 175.71 1sgz n ASN 92 N -2.79 4.64 -4.11 6.66 2.85 -1.26 -4.68 115.26 116.56 1sgz n ASN 92 Ca 0.13 -2.92 -0.08 0.00 -0.11 0.00 0.00 54.58 51.60 1sgz n ASN 92 Cb 0.51 -1.59 -0.10 0.00 1.24 0.00 0.00 39.78 39.84 1sgz n ASN 92 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1sgz s VAL 93 N 2.15 0.16 -0.05 3.44 -7.23 -1.26 -5.15 120.40 112.46 1sgz s VAL 93 Ca 0.46 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1sgz s VAL 93 Cb 0.13 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1sgz s VAL 93 CO -0.06 -0.75 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.00 1sgz s THR 94 N -3.98 0.86 0.11 5.32 2.01 -1.26 -4.47 115.64 114.23 1sgz s THR 94 Ca 0.15 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 61.87 1sgz s THR 94 Cb 0.08 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1sgz s THR 94 CO -0.05 0.29 -0.14 0.68 -0.69 0.00 0.00 174.62 174.71 1sgz s VAL 95 N 0.63 1.28 -0.34 3.82 -7.23 -0.52 -4.92 120.40 113.12 1sgz s VAL 95 Ca -0.11 -1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 58.29 1sgz s VAL 95 Cb -0.14 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1sgz s VAL 95 CO 0.02 -0.35 0.52 -0.60 -0.31 0.00 0.00 175.10 174.38 1sgz s ARG 96 N -2.36 3.69 0.22 4.82 3.52 -1.26 -0.19 118.95 127.39 1sgz s ARG 96 Ca 0.05 -0.08 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 1sgz s ARG 96 Cb -0.07 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 1sgz s ARG 96 CO 0.03 -0.61 -0.06 0.00 -0.81 0.00 0.00 175.30 173.84 1sgz s ALA 97 N 2.41 1.93 0.27 6.12 0.00 -0.63 -4.91 121.76 126.95 1sgz s ALA 97 Ca 0.19 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 1sgz s ALA 97 Cb -0.15 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 1sgz s ALA 97 CO 0.13 -0.11 1.17 -0.80 0.00 0.00 0.00 175.76 176.15 1sgz s ASN 98 N -3.32 7.11 -0.04 0.00 0.01 -1.26 -2.09 114.94 115.34 1sgz s ASN 98 Ca 0.25 2.36 0.00 0.00 -0.71 0.00 0.00 52.86 54.77 1sgz s ASN 98 Cb 0.03 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1sgz s ASN 98 CO 0.08 -0.29 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.74 1sgz s ILE 99 N -0.89 0.34 -0.46 0.60 1.01 0.12 -4.62 121.20 117.31 1sgz s ILE 99 Ca 0.47 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 1sgz s ILE 99 Cb -0.34 -0.43 0.04 0.00 0.01 0.00 0.00 42.46 41.74 1sgz s ILE 99 CO 0.43 0.20 0.56 0.00 0.00 0.00 0.00 174.94 176.13 1sgz s ALA 100 N 1.22 3.39 -0.49 9.38 0.00 -0.10 -1.75 121.76 133.40 1sgz s ALA 100 Ca -0.07 -1.52 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 1sgz s ALA 100 Cb -0.14 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1sgz s ALA 100 CO -0.02 -1.80 1.23 0.00 0.00 0.00 0.00 175.76 175.17 1sgz s ALA 101 N 2.50 3.07 -0.31 0.00 0.00 -0.15 -1.72 121.76 125.16 1sgz s ALA 101 Ca 0.16 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1sgz s ALA 101 Cb -0.17 -3.95 -0.00 0.00 0.00 0.00 0.00 23.12 19.00 1sgz s ALA 101 CO 0.14 -2.41 1.40 0.42 0.00 0.00 0.00 175.76 175.31 1sgz s ILE 102 N 4.89 3.99 -0.06 0.00 1.01 -0.08 -0.84 121.20 130.12 1sgz s ILE 102 Ca 0.50 1.09 0.19 0.00 0.00 0.00 0.00 60.65 62.43 1sgz s ILE 102 Cb -0.09 -4.06 -0.29 0.00 0.01 0.00 0.00 42.46 38.03 1sgz s ILE 102 CO 0.31 -0.50 0.35 0.35 0.00 0.00 0.00 174.94 175.45 1sgz n THR 103 N 6.46 0.24 -3.74 2.92 -2.24 -0.57 -0.96 114.28 116.39 1sgz n THR 103 Ca 0.16 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1sgz n THR 103 Cb 0.47 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1sgz n THR 103 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sgz s GLU 104 N -3.17 0.46 0.10 -0.78 2.02 -1.05 -4.89 118.70 111.39 1sgz s GLU 104 Ca -0.07 0.51 -0.18 0.00 0.02 0.00 0.00 54.97 55.25 1sgz s GLU 104 Cb 0.11 0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.61 1sgz s GLU 104 CO 0.79 -0.06 0.44 -1.54 0.02 0.00 0.00 175.26 174.91 1sgz s SER 105 N 0.14 -0.30 -0.07 -0.19 1.04 -1.26 -0.18 113.70 112.87 1sgz s SER 105 Ca -0.01 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 1sgz s SER 105 Cb -0.03 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1sgz s SER 105 CO 0.01 -0.81 0.01 -0.62 0.98 0.00 0.00 173.24 172.82 1sgz s ASP 106 N -2.52 1.56 -1.41 7.02 2.15 0.34 -4.84 116.67 118.97 1sgz s ASP 106 Ca -0.00 -0.09 -0.09 0.00 0.43 0.00 0.00 52.55 52.81 1sgz s ASP 106 Cb 0.01 -0.39 0.04 0.00 -0.30 0.00 0.00 42.92 42.28 1sgz s ASP 106 CO -0.09 -0.21 0.99 0.29 -0.17 0.00 0.00 175.17 175.98 1sgz n LYS 107 N 5.17 -6.18 -0.02 4.34 5.02 -1.26 -0.70 118.16 124.53 1sgz n LYS 107 Ca -0.06 0.69 -0.05 0.00 -2.02 0.00 0.00 58.31 56.86 1sgz n LYS 107 Cb 0.50 -5.57 -0.02 0.00 -0.02 0.00 0.00 35.03 29.92 1sgz n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sgz n PHE 108 N -4.65 0.00 -2.62 2.13 7.35 -1.26 -4.70 117.46 113.71 1sgz n PHE 108 Ca -0.06 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.20 1sgz n PHE 108 Cb 0.58 -0.26 -0.02 0.00 0.35 0.00 0.00 39.48 40.12 1sgz n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1sgz s PHE 109 N -2.39 3.27 -0.08 -5.13 0.40 -1.26 -5.01 117.98 107.78 1sgz s PHE 109 Ca -0.14 1.40 -0.22 0.00 -0.60 0.00 0.00 56.93 57.37 1sgz s PHE 109 Cb 0.03 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 1sgz s PHE 109 CO 0.20 -0.67 0.64 0.42 0.70 0.00 0.00 175.22 176.51 1sgz s ILE 110 N 3.18 5.08 0.02 0.64 1.01 -1.26 -4.90 121.20 124.97 1sgz s ILE 110 Ca 0.46 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 1sgz s ILE 110 Cb -0.16 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 1sgz s ILE 110 CO 0.08 0.28 1.97 -3.20 0.00 0.00 0.00 174.94 174.07 1sgz n ASN 111 N 3.70 4.11 0.00 3.58 4.05 -1.26 -1.36 115.26 128.08 1sgz n ASN 111 Ca -0.03 0.90 0.00 0.00 0.45 0.00 0.00 54.58 55.90 1sgz n ASN 111 Cb 0.51 -1.52 0.00 0.00 1.23 0.00 0.00 39.78 40.01 1sgz n ASN 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sgz n GLY 112 N 4.56 1.70 0.27 8.20 0.00 -1.26 -4.88 105.19 113.77 1sgz n GLY 112 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1sgz n GLY 112 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sgz h SER 113 N 0.00 0.00 0.00 1.61 4.64 -1.57 -3.46 113.55 114.76 1sgz h SER 113 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgz h SER 113 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sgz h SER 113 CO 0.00 0.08 0.00 -3.20 -0.87 0.00 0.00 176.83 172.84 1sgz n ASN 114 N -3.98 0.00 -4.79 4.97 5.15 -1.26 -4.94 115.26 110.41 1sgz n ASN 114 Ca -0.03 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.68 1sgz n ASN 114 Cb 0.17 -0.29 -0.06 0.00 -0.53 0.00 0.00 39.78 39.07 1sgz n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1sgz s TRP 115 N -3.52 3.18 -0.30 1.20 1.48 -1.26 -4.73 118.94 114.99 1sgz s TRP 115 Ca 0.00 0.03 0.03 0.00 -1.06 0.00 0.00 56.10 55.10 1sgz s TRP 115 Cb 0.00 -1.56 0.07 0.00 -1.16 0.00 0.00 33.47 30.82 1sgz s TRP 115 CO 0.00 0.52 0.96 0.39 -4.06 0.00 0.00 176.95 174.76 1sgz n GLU 116 N -0.02 2.14 -3.84 3.25 4.71 0.13 -4.89 120.64 122.12 1sgz n GLU 116 Ca -0.08 -1.43 -0.02 0.00 -0.01 0.00 0.00 57.16 55.62 1sgz n GLU 116 Cb 0.53 -1.07 0.01 0.00 -1.01 0.00 0.00 31.44 29.90 1sgz n GLU 116 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1sgz s GLY 117 N -0.83 -0.06 -0.03 0.62 0.00 -1.14 -0.45 107.32 105.44 1sgz s GLY 117 Ca 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1sgz s GLY 117 CO 0.04 2.06 -0.15 -1.50 0.00 0.00 0.00 173.10 173.56 1sgz s ILE 118 N -2.41 1.25 -0.52 0.90 2.07 0.14 -0.65 121.20 121.98 1sgz s ILE 118 Ca 0.20 -0.65 -0.05 0.00 -1.41 0.00 0.00 60.65 58.74 1sgz s ILE 118 Cb -0.01 -1.06 0.14 0.00 0.13 0.00 0.00 42.46 41.65 1sgz s ILE 118 CO 0.03 0.36 0.35 -0.22 -1.91 0.00 0.00 174.94 173.55 1sgz s LEU 119 N -0.14 5.46 -0.31 8.50 2.96 0.94 -1.66 118.68 134.43 1sgz s LEU 119 Ca 0.01 -2.31 -0.29 0.00 -0.22 0.00 0.00 54.13 51.32 1sgz s LEU 119 Cb -0.08 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1sgz s LEU 119 CO 0.01 -0.53 1.33 -0.83 -1.32 0.00 0.00 176.35 175.01 1sgz s GLY 120 N 1.69 1.35 0.00 7.98 0.00 -0.65 -1.46 107.32 116.23 1sgz s GLY 120 Ca 0.11 0.10 0.25 0.00 0.00 0.00 0.00 44.72 45.18 1sgz s GLY 120 CO -0.03 2.63 1.36 1.04 0.00 0.00 0.00 173.10 178.10 1sgz n LEU 121 N 7.79 2.30 0.00 0.66 4.77 0.10 -4.24 117.00 128.38 1sgz n LEU 121 Ca 0.15 -0.78 -0.12 0.00 -0.03 0.00 0.00 56.01 55.23 1sgz n LEU 121 Cb 0.47 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1sgz n LEU 121 CO 0.64 0.39 0.35 0.00 -1.33 0.00 0.00 177.39 177.44 1sgz n ALA 122 N 0.65 -0.73 -2.07 -1.18 0.00 0.59 -4.95 120.51 112.81 1sgz n ALA 122 Ca 0.14 -0.71 -0.29 0.00 0.00 0.00 0.00 53.44 52.57 1sgz n ALA 122 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1sgz n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sgz s TYR 123 N -2.16 3.59 0.39 0.00 1.51 -0.76 -4.59 117.35 115.32 1sgz s TYR 123 Ca 0.31 1.06 0.15 0.00 -1.01 0.00 0.00 57.07 57.57 1sgz s TYR 123 Cb -0.01 -2.51 1.00 0.00 -0.11 0.00 0.00 41.96 40.33 1sgz s TYR 123 CO 0.22 -0.46 1.83 0.00 -1.11 0.00 0.00 175.55 176.03 1sgz h ALA 124 N 0.04 2.08 -1.18 3.71 0.00 -1.87 -2.39 119.26 119.64 1sgz h ALA 124 Ca -0.46 0.04 0.38 0.00 0.00 0.00 0.00 54.91 54.87 1sgz h ALA 124 Cb 1.20 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1sgz h ALA 124 CO 0.62 -0.40 0.73 1.49 0.00 0.00 0.00 179.25 181.70 1sgz h GLU 125 N 0.50 0.17 -0.56 0.00 4.57 -1.86 0.21 114.58 117.61 1sgz h GLU 125 Ca 0.51 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1sgz h GLU 125 Cb 1.14 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1sgz h GLU 125 CO -0.24 0.12 0.00 0.44 -1.18 0.00 0.00 179.01 178.15 1sgz n ILE 126 N -4.81 1.12 -2.47 2.32 -5.35 -0.90 -4.62 119.36 104.66 1sgz n ILE 126 Ca 0.34 -1.05 -0.35 0.00 -0.27 0.00 0.00 62.75 61.42 1sgz n ILE 126 Cb 1.23 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 39.54 1sgz n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sgz s ALA 127 N -1.14 2.91 0.04 -1.28 0.00 0.74 -4.62 121.76 118.40 1sgz s ALA 127 Ca 0.39 0.70 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1sgz s ALA 127 Cb 0.21 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1sgz s ALA 127 CO 0.25 -0.39 0.01 1.03 0.00 0.00 0.00 175.76 176.65 1sgz s ARG 128 N -3.01 2.73 0.35 0.00 1.81 -1.26 -2.93 118.95 116.64 1sgz s ARG 128 Ca 0.65 -0.69 0.06 0.00 -1.72 0.00 0.00 55.73 54.03 1sgz s ARG 128 Cb -0.20 -2.64 0.66 0.00 -0.45 0.00 0.00 34.95 32.32 1sgz s ARG 128 CO 0.24 0.59 1.89 -1.35 -0.68 0.00 0.00 175.30 175.99 1sgz h PRO 129 N 3.93 0.44 0.00 3.54 0.11 -1.93 -3.46 132.00 134.62 1sgz h PRO 129 Ca -0.48 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 65.42 1sgz h PRO 129 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1sgz h PRO 129 CO 0.59 0.50 0.09 -0.40 -0.21 0.00 0.00 178.00 178.57 1sgz n ASP 130 N -4.28 -1.68 -0.03 -2.05 5.75 -1.15 -5.03 116.55 108.07 1sgz n ASP 130 Ca 0.01 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1sgz n ASP 130 Cb 0.25 2.91 0.00 0.00 -1.03 0.00 0.00 41.12 43.24 1sgz n ASP 130 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1sgz n ASP 131 N -1.55 0.03 0.12 -1.12 5.75 -1.25 -2.59 116.55 115.93 1sgz n ASP 131 Ca -0.04 -1.20 0.12 0.00 -0.01 0.00 0.00 54.79 53.65 1sgz n ASP 131 Cb 0.52 -0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.65 1sgz n ASP 131 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1sgz h SER 132 N 0.02 0.00 -2.15 -1.12 0.87 -1.90 -3.44 113.55 105.83 1sgz h SER 132 Ca 0.00 -0.04 -0.58 0.00 -1.23 0.00 0.00 61.79 59.95 1sgz h SER 132 Cb 0.02 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 1sgz h SER 132 CO 0.00 0.02 1.05 -0.22 -0.53 0.00 0.00 176.83 177.15 1sgz s LEU 133 N -5.31 3.53 0.06 2.23 2.96 -1.07 -4.98 118.68 116.11 1sgz s LEU 133 Ca 0.02 -0.83 -0.33 0.00 -0.22 0.00 0.00 54.13 52.77 1sgz s LEU 133 Cb 0.09 -2.53 -0.12 0.00 0.50 0.00 0.00 46.19 44.14 1sgz s LEU 133 CO 0.76 -1.67 1.78 1.21 -1.32 0.00 0.00 176.35 177.11 1sgz n GLU 134 N 8.85 2.40 -1.46 1.98 2.13 -1.26 -4.89 120.64 128.39 1sgz n GLU 134 Ca 0.09 0.87 -0.32 0.00 0.66 0.00 0.00 57.16 58.46 1sgz n GLU 134 Cb 0.49 -2.72 0.08 0.00 0.27 0.00 0.00 31.44 29.56 1sgz n GLU 134 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1sgz s PRO 135 N 2.73 2.38 0.16 5.31 0.02 -1.26 -4.52 135.00 139.81 1sgz s PRO 135 Ca 0.85 1.38 -0.20 0.00 0.02 0.00 0.00 61.00 63.04 1sgz s PRO 135 Cb -0.61 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.07 1sgz s PRO 135 CO 0.43 -1.58 1.64 0.35 -0.33 0.00 0.00 177.00 177.51 1sgz h PHE 136 N -0.56 -0.50 -0.77 6.54 3.57 -1.81 -2.44 116.94 120.98 1sgz h PHE 136 Ca -0.45 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1sgz h PHE 136 Cb 1.25 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 1sgz h PHE 136 CO 0.54 -0.27 0.51 0.35 -2.23 0.00 0.00 178.31 177.21 1sgz h PHE 137 N -0.16 0.93 -0.73 0.41 3.57 -1.93 -0.03 116.94 119.01 1sgz h PHE 137 Ca 0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1sgz h PHE 137 Cb 0.41 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1sgz h PHE 137 CO -0.39 0.56 0.28 -0.44 -2.23 0.00 0.00 178.31 176.09 1sgz h ASP 138 N 0.98 1.02 -0.45 0.41 3.32 -1.83 -1.33 116.42 118.54 1sgz h ASP 138 Ca 0.30 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1sgz h ASP 138 Cb -0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1sgz h ASP 138 CO -0.08 0.92 0.15 0.28 -1.72 0.00 0.00 179.24 178.80 1sgz h SER 139 N 1.06 0.64 -0.58 6.45 0.02 -0.89 -0.33 113.55 119.93 1sgz h SER 139 Ca 0.24 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1sgz h SER 139 Cb 0.23 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1sgz h SER 139 CO -0.02 0.67 0.30 0.25 -1.14 0.00 0.00 176.83 176.89 1sgz h LEU 140 N 0.59 0.42 -0.27 5.07 5.85 -0.62 0.11 115.31 126.45 1sgz h LEU 140 Ca 0.15 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1sgz h LEU 140 Cb 0.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1sgz h LEU 140 CO -0.01 0.28 -0.19 0.58 -0.34 0.00 0.00 178.44 178.76 1sgz h VAL 141 N 0.56 1.30 -0.60 1.05 2.07 -1.04 -2.14 116.25 117.46 1sgz h VAL 141 Ca 0.26 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1sgz h VAL 141 Cb 0.18 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1sgz h VAL 141 CO -0.18 0.42 0.26 0.11 0.02 0.00 0.00 177.57 178.19 1sgz h LYS 142 N 0.34 0.88 0.00 1.57 1.57 -0.69 -3.21 116.57 117.03 1sgz h LYS 142 Ca 0.05 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1sgz h LYS 142 Cb 0.73 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1sgz h LYS 142 CO 0.05 0.74 -0.30 1.04 -0.57 0.00 0.00 179.45 180.41 1sgz n GLN 143 N -4.48 0.02 -3.72 3.15 6.02 0.34 -4.95 117.38 113.75 1sgz n GLN 143 Ca 0.04 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.87 1sgz n GLN 143 Cb 0.15 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 1sgz n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1sgz n THR 144 N -1.54 0.00 -0.77 5.09 -2.24 -0.81 -5.04 114.28 108.99 1sgz n THR 144 Ca 0.06 -1.79 0.07 0.00 -2.27 0.00 0.00 64.05 60.12 1sgz n THR 144 Cb 0.34 0.79 0.38 0.00 -2.10 0.00 0.00 70.33 69.74 1sgz n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1sgz n HIS 145 N -0.56 1.92 -2.21 4.78 8.25 -1.26 -4.75 115.22 121.38 1sgz n HIS 145 Ca 0.01 -0.67 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 1sgz n HIS 145 Cb 0.45 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1sgz n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sgz s VAL 146 N -2.57 3.68 0.47 1.59 1.01 -1.26 -4.96 120.40 118.36 1sgz s VAL 146 Ca 0.52 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 1sgz s VAL 146 Cb 0.39 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1sgz s VAL 146 CO 0.16 -0.00 1.13 -2.65 0.00 0.00 0.00 175.10 173.74 1sgz n PRO 147 N 5.39 1.51 -1.28 2.72 -0.02 -1.26 -4.67 135.00 137.39 1sgz n PRO 147 Ca 0.13 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1sgz n PRO 147 Cb 0.43 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1sgz n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sgz n ASN 148 N -0.02 3.28 -3.60 2.55 5.15 -1.26 -4.30 115.26 117.06 1sgz n ASN 148 Ca 0.09 -2.69 -0.09 0.00 -0.60 0.00 0.00 54.58 51.29 1sgz n ASN 148 Cb 0.41 -1.27 -0.06 0.00 -0.53 0.00 0.00 39.78 38.34 1sgz n ASN 148 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1sgz s LEU 149 N 1.32 -0.35 0.04 1.20 0.20 -1.26 -1.29 118.68 118.54 1sgz s LEU 149 Ca 0.53 0.48 -0.09 0.00 0.69 0.00 0.00 54.13 55.74 1sgz s LEU 149 Cb 0.14 1.77 0.00 0.00 -0.43 0.00 0.00 46.19 47.68 1sgz s LEU 149 CO 0.04 -0.25 0.20 0.72 -0.29 0.00 0.00 176.35 176.77 1sgz s PHE 150 N -0.68 0.06 0.07 5.38 -0.71 -1.08 -0.27 117.98 120.75 1sgz s PHE 150 Ca 0.01 -0.29 0.05 0.00 -1.04 0.00 0.00 56.93 55.66 1sgz s PHE 150 Cb -0.02 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.73 1sgz s PHE 150 CO -0.02 -0.44 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.76 1sgz s SER 151 N -2.13 1.55 -0.06 1.98 1.04 -0.25 -0.66 113.70 115.18 1sgz s SER 151 Ca -0.05 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1sgz s SER 151 Cb -0.01 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1sgz s SER 151 CO -0.04 -0.13 -0.12 -0.76 0.98 0.00 0.00 173.24 173.17 1sgz s LEU 152 N -1.87 1.65 -0.32 2.42 1.43 0.34 -0.93 118.68 121.39 1sgz s LEU 152 Ca -0.01 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1sgz s LEU 152 Cb -0.09 -0.80 0.10 0.00 0.03 0.00 0.00 46.19 45.43 1sgz s LEU 152 CO 0.02 0.04 0.04 -1.58 0.23 0.00 0.00 176.35 175.10 1sgz s GLN 153 N 0.63 1.39 -0.17 1.70 0.74 -0.19 -1.00 119.66 122.76 1sgz s GLN 153 Ca -0.13 -1.64 -0.17 0.00 0.05 0.00 0.00 55.36 53.46 1sgz s GLN 153 Cb -0.15 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 1sgz s GLN 153 CO 0.03 -0.91 0.46 -0.51 -0.55 0.00 0.00 175.29 173.81 1sgz s LEU 154 N 1.08 4.20 -0.37 3.68 1.43 -1.26 -0.72 118.68 126.72 1sgz s LEU 154 Ca 0.09 0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 53.80 1sgz s LEU 154 Cb -0.19 -2.63 0.07 0.00 0.03 0.00 0.00 46.19 43.48 1sgz s LEU 154 CO -0.11 -0.07 0.14 0.00 0.23 0.00 0.00 176.35 176.54 1sgz s GLY 156 N 1.65 2.30 0.19 0.00 0.00 -1.26 -4.72 107.32 105.48 1sgz s GLY 156 Ca 0.01 0.23 0.19 0.00 0.00 0.00 0.00 44.72 45.16 1sgz s GLY 156 CO -0.00 0.48 1.08 0.00 0.00 0.00 0.00 173.10 174.66 1sgz h ALA 157 N 1.82 0.64 0.00 3.20 0.00 -1.94 -3.44 119.26 119.54 1sgz h ALA 157 Ca -0.48 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1sgz h ALA 157 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1sgz h ALA 157 CO 0.62 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1sgz n GLY 158 N 1.26 0.83 3.34 0.00 0.00 -1.26 -5.00 105.19 104.36 1sgz n GLY 158 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1sgz n GLY 158 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sgz s PHE 159 N -3.21 -0.30 0.42 1.61 -0.71 -1.26 -4.85 117.98 109.69 1sgz s PHE 159 Ca 0.00 0.02 -0.25 0.00 -1.04 0.00 0.00 56.93 55.66 1sgz s PHE 159 Cb 0.00 0.34 -0.08 0.00 -1.21 0.00 0.00 43.02 42.07 1sgz s PHE 159 CO 0.00 -0.74 1.29 -1.25 -1.34 0.00 0.00 175.22 173.18 1sgz s PRO 160 N -3.73 3.89 -0.13 1.99 0.04 -1.26 -4.92 135.00 130.88 1sgz s PRO 160 Ca 0.02 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.17 1sgz s PRO 160 Cb 0.01 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1sgz s PRO 160 CO -0.12 -0.54 -0.15 -0.51 0.04 0.00 0.00 177.00 175.72 1sgz s LEU 161 N -2.57 2.60 1.09 -3.56 1.43 -1.26 -5.02 118.68 111.38 1sgz s LEU 161 Ca 0.59 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 1sgz s LEU 161 Cb -0.37 -1.57 0.24 0.00 0.03 0.00 0.00 46.19 44.52 1sgz s LEU 161 CO 0.47 0.16 1.18 0.54 0.23 0.00 0.00 176.35 178.93 1sgz s ASN 162 N 0.36 1.95 0.23 2.29 4.22 -1.26 -4.63 114.94 118.10 1sgz s ASN 162 Ca -0.12 0.56 -0.08 0.00 -2.14 0.00 0.00 52.86 51.09 1sgz s ASN 162 Cb -0.16 -0.79 0.24 0.00 1.28 0.00 0.00 41.25 41.82 1sgz s ASN 162 CO 0.06 -3.48 1.88 -0.61 -2.04 0.00 0.00 177.10 172.92 1sgz h GLN 163 N -2.15 1.07 -0.61 3.55 5.75 -2.00 0.94 115.11 121.67 1sgz h GLN 163 Ca -0.46 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 1sgz h GLN 163 Cb 1.28 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1sgz h GLN 163 CO 0.39 0.71 0.09 1.03 -2.65 0.00 0.00 178.83 178.40 1sgz h SER 164 N 1.10 0.95 -0.11 -0.69 0.87 -1.99 -2.52 113.55 111.15 1sgz h SER 164 Ca 0.33 -0.22 -0.20 0.00 -1.23 0.00 0.00 61.79 60.47 1sgz h SER 164 Cb -0.04 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1sgz h SER 164 CO -0.10 0.95 -0.72 -0.33 -0.53 0.00 0.00 176.83 176.10 1sgz h GLU 165 N 0.94 0.69 0.00 2.24 5.08 -1.78 0.46 114.58 122.21 1sgz h GLU 165 Ca 0.19 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1sgz h GLU 165 Cb 0.41 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1sgz h GLU 165 CO 0.01 1.20 -0.03 0.28 -1.00 0.00 0.00 179.01 179.47 1sgz h VAL 166 N 0.37 0.18 0.00 3.13 2.07 -0.72 0.45 116.25 121.72 1sgz h VAL 166 Ca -0.06 -0.25 -0.41 0.00 0.82 0.00 0.00 66.70 66.80 1sgz h VAL 166 Cb 1.36 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 1sgz h VAL 166 CO 0.15 0.03 -2.28 0.18 0.02 0.00 0.00 177.57 175.66 1sgz n LEU 167 N -3.28 2.04 0.00 2.57 4.77 -0.96 -4.10 117.00 118.04 1sgz n LEU 167 Ca -0.02 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1sgz n LEU 167 Cb 0.17 -0.86 0.42 0.00 -2.33 0.00 0.00 43.42 40.82 1sgz n LEU 167 CO 0.25 0.55 0.73 0.00 -1.33 0.00 0.00 177.39 177.60 1sgz n ALA 168 N -3.98 1.93 -2.32 -1.18 0.00 0.16 -4.82 120.51 110.30 1sgz n ALA 168 Ca -0.49 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 1sgz n ALA 168 Cb 0.86 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1sgz n ALA 168 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sgz s SER 169 N -2.52 4.84 -0.31 0.00 1.04 0.14 -4.99 113.70 111.89 1sgz s SER 169 Ca 0.17 -0.84 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 1sgz s SER 169 Cb 0.11 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 1sgz s SER 169 CO 0.25 -0.58 0.18 -0.69 0.98 0.00 0.00 173.24 173.38 1sgz s VAL 170 N -2.50 4.93 -2.15 5.02 1.01 -1.26 -4.76 120.40 120.68 1sgz s VAL 170 Ca 0.45 -0.24 0.17 0.00 0.00 0.00 0.00 61.98 62.35 1sgz s VAL 170 Cb -0.01 -3.48 0.40 0.00 0.00 0.00 0.00 36.38 33.29 1sgz s VAL 170 CO 0.26 0.09 1.41 0.61 0.00 0.00 0.00 175.10 177.47 1sgz n GLY 171 N 5.03 0.64 0.00 4.51 0.00 0.14 -4.91 105.19 110.60 1sgz n GLY 171 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1sgz n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgz n GLY 172 N 1.15 0.84 2.90 -0.02 0.00 -1.21 -0.72 105.19 108.13 1sgz n GLY 172 Ca 0.15 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1sgz n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgz s SER 173 N -4.00 0.06 -0.32 1.61 0.01 0.10 -1.52 113.70 109.64 1sgz s SER 173 Ca 0.00 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1sgz s SER 173 Cb 0.00 0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.35 1sgz s SER 173 CO 0.00 -0.08 0.01 -0.32 0.41 0.00 0.00 173.24 173.26 1sgz s MET 174 N -0.37 1.70 -0.37 12.44 0.00 -1.26 -1.02 119.30 130.41 1sgz s MET 174 Ca -0.04 -1.74 -0.22 0.00 0.00 0.00 0.00 55.69 53.69 1sgz s MET 174 Cb -0.03 -3.13 0.01 0.00 0.00 0.00 0.00 34.83 31.68 1sgz s MET 174 CO -0.00 -0.84 0.74 0.42 0.00 0.00 0.00 175.02 175.33 1sgz s ILE 175 N 0.96 4.77 -0.36 10.11 -1.09 -0.11 -4.88 121.20 130.61 1sgz s ILE 175 Ca 0.06 0.72 -0.18 0.00 -2.23 0.00 0.00 60.65 59.01 1sgz s ILE 175 Cb -0.19 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1sgz s ILE 175 CO -0.07 -0.44 0.53 -0.63 -1.23 0.00 0.00 174.94 173.10 1sgz s ILE 176 N 3.01 5.00 0.00 2.92 1.01 -1.26 -1.09 121.20 130.79 1sgz s ILE 176 Ca 0.29 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1sgz s ILE 176 Cb -0.13 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1sgz s ILE 176 CO 0.17 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1sgz n GLY 177 N 4.80 0.68 0.45 6.18 0.00 0.63 -4.75 105.19 113.18 1sgz n GLY 177 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sgz n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgz n GLY 178 N -2.05 0.90 3.14 -0.02 0.00 -1.24 -4.35 105.19 101.57 1sgz n GLY 178 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1sgz n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgz s ILE 179 N -2.32 1.84 -0.33 -0.61 1.01 -1.26 -3.96 121.20 115.57 1sgz s ILE 179 Ca 0.03 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1sgz s ILE 179 Cb -0.00 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1sgz s ILE 179 CO 0.00 0.51 0.12 -0.62 0.00 0.00 0.00 174.94 174.96 1sgz s ASP 180 N 0.73 5.37 0.54 3.58 3.68 -1.26 -0.84 116.67 128.46 1sgz s ASP 180 Ca -0.11 -0.89 0.36 0.00 2.13 0.00 0.00 52.55 54.05 1sgz s ASP 180 Cb -0.16 -1.92 1.97 0.00 -1.45 0.00 0.00 42.92 41.36 1sgz s ASP 180 CO 0.01 -0.28 2.11 0.45 0.13 0.00 0.00 175.17 177.59 1sgz h HIS 181 N 8.29 0.00 0.00 -5.34 3.86 -1.92 -1.96 115.15 118.08 1sgz h HIS 181 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1sgz h HIS 181 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1sgz h HIS 181 CO 0.60 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.26 1sgz n SER 182 N -2.77 0.00 -0.33 2.45 3.41 -1.26 -3.41 113.62 111.71 1sgz n SER 182 Ca -0.02 0.48 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1sgz n SER 182 Cb 0.06 -0.49 0.47 0.00 -0.26 0.00 0.00 64.21 63.99 1sgz n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sgz n LEU 183 N -1.49 1.16 -3.91 1.04 4.77 -0.74 -4.81 117.00 113.03 1sgz n LEU 183 Ca 0.06 -0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 1sgz n LEU 183 Cb 0.27 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1sgz n LEU 183 CO 0.21 0.20 0.14 -0.72 -1.33 0.00 0.00 177.39 175.90 1sgz s TYR 184 N -2.27 0.23 0.17 -1.77 1.13 -1.22 -1.31 117.35 112.30 1sgz s TYR 184 Ca 0.31 -0.58 0.06 0.00 -1.41 0.00 0.00 57.07 55.45 1sgz s TYR 184 Cb 0.20 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1sgz s TYR 184 CO 0.43 -0.87 -0.13 0.95 -2.51 0.00 0.00 175.55 173.42 1sgz s THR 185 N -3.96 1.48 0.00 -3.49 -4.23 -0.66 -4.78 115.64 100.00 1sgz s THR 185 Ca 0.16 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1sgz s THR 185 Cb 0.01 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.97 1sgz s THR 185 CO 0.02 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1sgz n GLY 186 N -0.12 -0.91 3.94 3.99 0.00 -1.26 -3.63 105.19 107.20 1sgz n GLY 186 Ca -0.10 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1sgz n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgz s SER 187 N -4.00 6.26 -0.19 1.61 0.01 -1.26 -4.96 113.70 111.17 1sgz s SER 187 Ca 0.00 0.43 -0.12 0.00 1.31 0.00 0.00 55.95 57.57 1sgz s SER 187 Cb 0.00 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 1sgz s SER 187 CO 0.00 -0.32 0.20 -0.76 0.41 0.00 0.00 173.24 172.77 1sgz s LEU 188 N -4.33 4.21 -0.10 2.44 1.43 -1.26 -4.43 118.68 116.63 1sgz s LEU 188 Ca 0.41 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1sgz s LEU 188 Cb -0.10 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1sgz s LEU 188 CO 0.36 0.13 -0.18 0.26 0.23 0.00 0.00 176.35 177.15 1sgz s TRP 189 N 0.53 2.68 -0.06 0.29 0.52 -0.17 -4.89 118.94 117.85 1sgz s TRP 189 Ca 0.11 -0.68 -0.01 0.00 0.02 0.00 0.00 56.10 55.54 1sgz s TRP 189 Cb -0.12 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1sgz s TRP 189 CO 0.01 -0.21 0.01 0.71 0.02 0.00 0.00 176.95 177.50 1sgz s TYR 190 N 0.12 3.16 -0.01 -1.98 1.51 -1.26 -0.28 117.35 118.61 1sgz s TYR 190 Ca -0.09 0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.22 1sgz s TYR 190 Cb -0.15 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1sgz s TYR 190 CO 0.05 0.48 -0.23 -0.08 -1.11 0.00 0.00 175.55 174.67 1sgz s THR 191 N -0.97 2.33 0.57 -0.71 -1.32 -0.11 -3.34 115.64 112.09 1sgz s THR 191 Ca 0.16 -1.08 -0.20 0.00 -1.21 0.00 0.00 61.69 59.35 1sgz s THR 191 Cb -0.11 -1.86 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 1sgz s THR 191 CO 0.05 0.53 1.27 -2.84 -2.21 0.00 0.00 174.62 171.43 1sgz s PRO 192 N -0.80 3.04 -0.36 7.08 0.02 -1.26 -0.85 135.00 141.87 1sgz s PRO 192 Ca 0.11 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 62.91 1sgz s PRO 192 Cb -0.10 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1sgz s PRO 192 CO 0.00 -1.20 0.76 0.42 -0.33 0.00 0.00 177.00 176.65 1sgz s ILE 193 N -1.44 4.76 0.15 2.83 1.01 -0.46 -4.64 121.20 123.40 1sgz s ILE 193 Ca 0.75 0.82 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 1sgz s ILE 193 Cb -0.35 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1sgz s ILE 193 CO 0.40 -0.42 1.81 -0.09 0.00 0.00 0.00 174.94 176.64 1sgz h ARG 194 N 8.49 0.49 -2.64 2.79 2.43 -1.45 -3.44 114.38 121.05 1sgz h ARG 194 Ca -0.25 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.78 1sgz h ARG 194 Cb 1.10 -0.11 -0.24 0.00 -0.42 0.00 0.00 29.97 30.30 1sgz h ARG 194 CO 0.90 0.33 -0.20 0.50 -1.51 0.00 0.00 179.97 179.99 1sgz s ARG 195 N -6.16 0.51 -1.12 0.20 3.52 -1.26 -5.09 118.95 109.54 1sgz s ARG 195 Ca -0.13 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 55.92 1sgz s ARG 195 Cb 0.10 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.80 1sgz s ARG 195 CO 0.72 -0.07 1.50 -1.21 -0.81 0.00 0.00 175.30 175.43 1sgz s GLU 196 N 0.37 3.78 0.00 5.12 2.02 -1.26 -4.15 118.70 124.58 1sgz s GLU 196 Ca -0.01 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.32 1sgz s GLU 196 Cb -0.04 -5.33 0.00 0.00 0.10 0.00 0.00 34.13 28.87 1sgz s GLU 196 CO -0.01 -2.12 0.00 -2.67 0.02 0.00 0.00 175.26 170.48 1sgz n TRP 197 N 8.05 0.00 -2.45 1.61 4.27 -1.26 -4.61 117.44 123.04 1sgz n TRP 197 Ca 0.38 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.75 1sgz n TRP 197 Cb 0.48 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.51 1sgz n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 1sgz s TYR 198 N 0.00 2.42 -1.14 -2.67 2.02 -1.26 -1.83 117.35 114.89 1sgz s TYR 198 Ca 0.00 0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.58 1sgz s TYR 198 Cb 0.00 -3.04 0.11 0.00 -0.40 0.00 0.00 41.96 38.64 1sgz s TYR 198 CO 0.00 -1.39 1.45 0.71 -1.57 0.00 0.00 175.55 174.75 1sgz s TYR 199 N -3.09 3.05 0.07 2.71 1.51 -1.26 -4.84 117.35 115.50 1sgz s TYR 199 Ca 0.62 -1.61 -0.24 0.00 -1.01 0.00 0.00 57.07 54.83 1sgz s TYR 199 Cb -0.09 -4.49 -0.06 0.00 -0.11 0.00 0.00 41.96 37.21 1sgz s TYR 199 CO 0.43 -1.62 0.75 -2.00 -1.11 0.00 0.00 175.55 171.99 1sgz s GLU 200 N 3.13 4.48 0.31 -0.62 2.12 -1.26 -2.00 118.70 124.87 1sgz s GLU 200 Ca 0.44 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.85 1sgz s GLU 200 Cb -0.01 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1sgz s GLU 200 CO -0.02 0.36 0.14 0.14 -0.54 0.00 0.00 175.26 175.35 1sgz s VAL 201 N -0.32 0.44 -0.16 3.70 -7.23 0.11 -1.12 120.40 115.82 1sgz s VAL 201 Ca 0.37 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1sgz s VAL 201 Cb -0.21 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1sgz s VAL 201 CO 0.23 0.00 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.20 1sgz s ILE 202 N -3.55 1.89 -0.16 -0.62 1.01 -1.26 -4.11 121.20 114.39 1sgz s ILE 202 Ca 0.34 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 1sgz s ILE 202 Cb 0.05 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1sgz s ILE 202 CO 0.17 0.51 0.38 -0.63 0.00 0.00 0.00 174.94 175.37 1sgz s ILE 203 N 1.19 5.24 -0.50 2.92 1.01 -1.26 -2.22 121.20 127.58 1sgz s ILE 203 Ca 0.01 0.71 0.14 0.00 0.00 0.00 0.00 60.65 61.51 1sgz s ILE 203 Cb -0.14 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.45 1sgz s ILE 203 CO -0.09 0.32 0.52 1.33 0.00 0.00 0.00 174.94 177.03 1sgz n VAL 204 N 3.87 0.00 -3.58 2.92 0.24 0.23 -4.70 118.33 117.31 1sgz n VAL 204 Ca -0.09 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 1sgz n VAL 204 Cb 0.51 0.82 -0.06 0.00 -1.47 0.00 0.00 33.84 33.65 1sgz n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1sgz s ARG 205 N -2.44 0.67 -0.03 7.34 3.52 -1.24 -4.81 118.95 121.96 1sgz s ARG 205 Ca 0.03 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 1sgz s ARG 205 Cb 0.10 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 1sgz s ARG 205 CO 0.57 -0.19 -0.05 0.08 -0.81 0.00 0.00 175.30 174.90 1sgz s VAL 206 N -0.91 0.50 0.08 7.11 1.01 -1.26 -0.22 120.40 126.71 1sgz s VAL 206 Ca -0.03 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1sgz s VAL 206 Cb -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1sgz s VAL 206 CO 0.02 0.20 -0.20 -1.61 0.00 0.00 0.00 175.10 173.51 1sgz s GLU 207 N 0.65 1.19 -0.26 2.72 2.02 -0.49 -1.03 118.70 123.50 1sgz s GLU 207 Ca -0.08 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 53.87 1sgz s GLU 207 Cb -0.12 -1.38 0.06 0.00 0.10 0.00 0.00 34.13 32.80 1sgz s GLU 207 CO 0.00 0.33 -0.08 0.42 0.02 0.00 0.00 175.26 175.96 1sgz s ILE 208 N -1.02 1.96 -1.38 -1.63 -1.09 -0.44 -1.62 121.20 115.97 1sgz s ILE 208 Ca 0.06 -1.56 -0.05 0.00 -2.23 0.00 0.00 60.65 56.87 1sgz s ILE 208 Cb -0.09 -2.15 0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1sgz s ILE 208 CO 0.03 -0.11 0.80 0.59 -1.23 0.00 0.00 174.94 175.02 1sgz n ASN 209 N 4.50 -2.42 0.00 3.58 5.03 -0.43 -1.62 115.26 123.91 1sgz n ASN 209 Ca -0.12 -0.80 0.00 0.00 0.87 0.00 0.00 54.58 54.53 1sgz n ASN 209 Cb 0.43 -4.02 0.00 0.00 -1.02 0.00 0.00 39.78 35.17 1sgz n ASN 209 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sgz n GLY 210 N -1.63 2.93 3.66 7.41 0.00 -1.26 -4.98 105.19 111.31 1sgz n GLY 210 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1sgz n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgz s GLN 211 N 0.00 4.24 0.15 1.61 0.74 -0.64 -4.96 119.66 120.80 1sgz s GLN 211 Ca 0.00 0.93 -0.31 0.00 0.05 0.00 0.00 55.36 56.02 1sgz s GLN 211 Cb 0.00 -3.60 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 1sgz s GLN 211 CO 0.00 -0.38 1.66 0.34 -0.55 0.00 0.00 175.29 176.36 1sgz s ASP 212 N 1.23 6.52 0.59 6.67 2.15 -1.26 -1.32 116.67 131.25 1sgz s ASP 212 Ca 0.35 2.67 0.37 0.00 0.43 0.00 0.00 52.55 56.37 1sgz s ASP 212 Cb -0.16 -2.58 1.70 0.00 -0.30 0.00 0.00 42.92 41.58 1sgz s ASP 212 CO 0.10 -0.90 2.11 0.25 -0.17 0.00 0.00 175.17 176.56 1sgz h LEU 213 N 7.42 0.00 -1.31 -1.34 5.85 -1.46 -3.47 115.31 121.00 1sgz h LEU 213 Ca -0.43 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 57.81 1sgz h LEU 213 Cb 1.20 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1sgz h LEU 213 CO 0.93 0.00 -0.81 1.17 -0.34 0.00 0.00 178.44 179.40 1sgz n LYS 214 N -3.09 -4.67 -3.68 1.25 4.81 -1.26 -5.00 118.16 106.51 1sgz n LYS 214 Ca -0.01 0.54 -0.20 0.00 -0.87 0.00 0.00 58.31 57.77 1sgz n LYS 214 Cb 0.23 -5.21 -0.02 0.00 0.02 0.00 0.00 35.03 30.05 1sgz n LYS 214 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1sgz s MET 215 N -6.53 3.00 0.10 1.64 -1.94 -1.26 -5.04 119.30 109.28 1sgz s MET 215 Ca 0.44 -1.09 -0.31 0.00 -1.71 0.00 0.00 55.69 53.02 1sgz s MET 215 Cb -0.22 -2.69 -0.10 0.00 2.01 0.00 0.00 34.83 33.83 1sgz s MET 215 CO 0.85 0.13 1.77 0.34 -0.01 0.00 0.00 175.02 178.10 1sgz s ASP 216 N -4.07 6.49 0.63 3.03 3.68 -1.26 -4.85 116.67 120.32 1sgz s ASP 216 Ca 0.42 2.66 0.34 0.00 2.13 0.00 0.00 52.55 58.09 1sgz s ASP 216 Cb -0.08 -2.56 1.87 0.00 -1.45 0.00 0.00 42.92 40.70 1sgz s ASP 216 CO 0.29 -0.96 2.13 0.00 0.13 0.00 0.00 175.17 176.76 1sgz h LYS 218 N 0.00 0.00 -0.22 0.00 1.57 -1.79 -1.57 116.57 114.57 1sgz h LYS 218 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1sgz h LYS 218 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1sgz h LYS 218 CO -0.00 0.10 -0.07 0.93 -0.57 0.00 0.00 179.45 179.84 1sgz h GLU 219 N 0.00 0.34 0.00 3.15 4.39 -1.16 -0.52 114.58 120.78 1sgz h GLU 219 Ca -0.00 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1sgz h GLU 219 Cb 0.22 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1sgz h GLU 219 CO 0.01 0.42 -0.21 1.88 -1.16 0.00 0.00 179.01 179.95 1sgz h TYR 220 N 0.32 0.00 -0.04 4.33 0.99 -1.42 -2.69 116.97 118.46 1sgz h TYR 220 Ca 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1sgz h TYR 220 Cb 0.33 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 1sgz h TYR 220 CO 0.01 0.21 -0.19 0.09 -0.00 0.00 0.00 178.16 178.28 1sgz n ASN 221 N -3.50 2.22 -4.58 3.88 3.02 -0.97 -4.37 115.26 110.97 1sgz n ASN 221 Ca -0.01 -3.44 -0.40 0.00 -0.03 0.00 0.00 54.58 50.70 1sgz n ASN 221 Cb 0.38 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1sgz n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sgz s TYR 222 N -3.04 1.17 0.00 3.10 5.04 -0.24 -1.49 117.35 121.89 1sgz s TYR 222 Ca 0.36 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1sgz s TYR 222 Cb 0.33 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.85 1sgz s TYR 222 CO -0.01 -3.25 0.00 -3.47 -1.34 0.00 0.00 175.55 167.49 1sgz n ASP 223 N 13.62 0.00 -3.62 4.32 -0.08 -1.26 -3.30 116.55 126.23 1sgz n ASP 223 Ca 0.32 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.60 1sgz n ASP 223 Cb 0.50 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.95 1sgz n ASP 223 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1sgz s LYS 224 N 0.00 0.40 -0.05 -0.67 -2.85 -0.56 -4.77 119.74 111.25 1sgz s LYS 224 Ca 0.00 -0.21 0.02 0.00 -1.00 0.00 0.00 55.97 54.78 1sgz s LYS 224 Cb 0.00 0.15 0.02 0.00 -2.06 0.00 0.00 37.83 35.94 1sgz s LYS 224 CO 0.00 -0.18 -0.08 -1.12 0.10 0.00 0.00 175.35 174.07 1sgz s SER 225 N -2.73 1.31 0.16 0.03 0.01 -1.26 0.48 113.70 111.70 1sgz s SER 225 Ca 0.13 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1sgz s SER 225 Cb 0.03 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1sgz s SER 225 CO -0.04 -0.02 0.02 0.27 0.41 0.00 0.00 173.24 173.88 1sgz s ILE 226 N 0.81 0.47 -0.32 1.44 -4.36 -0.31 -0.72 121.20 118.21 1sgz s ILE 226 Ca -0.13 -1.95 -0.09 0.00 -0.26 0.00 0.00 60.65 58.22 1sgz s ILE 226 Cb -0.15 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1sgz s ILE 226 CO 0.02 -0.48 0.15 -0.69 0.24 0.00 0.00 174.94 174.18 1sgz s VAL 227 N -3.80 4.49 -0.31 8.37 1.01 -0.85 -0.73 120.40 128.58 1sgz s VAL 227 Ca 0.24 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1sgz s VAL 227 Cb 0.07 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.19 1sgz s VAL 227 CO 0.03 -0.01 0.07 -0.62 0.00 0.00 0.00 175.10 174.57 1sgz s ASP 228 N 1.58 4.28 0.08 3.32 2.15 -0.18 -4.43 116.67 123.47 1sgz s ASP 228 Ca 0.04 -1.79 0.18 0.00 0.43 0.00 0.00 52.55 51.41 1sgz s ASP 228 Cb -0.18 -1.17 0.75 0.00 -0.30 0.00 0.00 42.92 42.03 1sgz s ASP 228 CO 0.06 -0.39 1.56 -1.54 -0.17 0.00 0.00 175.17 174.69 1sgz n SER 229 N 4.62 0.21 -0.48 -0.34 3.41 -1.26 -2.20 113.62 117.58 1sgz n SER 229 Ca -0.01 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1sgz n SER 229 Cb 0.42 -0.60 0.41 0.00 -0.26 0.00 0.00 64.21 64.19 1sgz n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgz n GLY 230 N 0.06 0.10 3.33 5.00 0.00 -1.26 -4.54 105.19 107.87 1sgz n GLY 230 Ca 0.03 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1sgz n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgz s THR 231 N -1.83 2.18 -0.05 2.61 2.01 -0.94 -5.02 115.64 114.61 1sgz s THR 231 Ca 0.32 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1sgz s THR 231 Cb 0.17 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.84 1sgz s THR 231 CO 0.26 0.58 0.54 0.74 -0.69 0.00 0.00 174.62 176.06 1sgz h THR 232 N 4.48 0.06 -4.42 -0.82 2.02 -1.86 0.49 112.91 112.87 1sgz h THR 232 Ca -0.43 -0.70 -0.46 0.00 0.77 0.00 0.00 66.41 65.58 1sgz h THR 232 Cb 1.13 0.10 0.11 0.00 -1.74 0.00 0.00 68.15 67.75 1sgz h THR 232 CO 0.47 0.02 0.40 0.20 0.37 0.00 0.00 175.52 176.98 1sgz s ASN 233 N -5.07 4.21 -0.28 4.18 0.01 -1.26 -0.74 114.94 115.99 1sgz s ASN 233 Ca -0.07 0.64 -0.20 0.00 -0.71 0.00 0.00 52.86 52.52 1sgz s ASN 233 Cb 0.01 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.61 1sgz s ASN 233 CO 0.22 -2.07 0.61 -0.22 -1.51 0.00 0.00 177.10 174.13 1sgz s LEU 234 N -5.63 4.10 -0.12 0.60 0.20 -0.36 -2.30 118.68 115.18 1sgz s LEU 234 Ca 0.65 0.53 -0.01 0.00 0.69 0.00 0.00 54.13 55.99 1sgz s LEU 234 Cb -0.09 -2.80 -0.03 0.00 -0.43 0.00 0.00 46.19 42.84 1sgz s LEU 234 CO 0.50 -0.41 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.94 1sgz s ARG 235 N 2.53 3.26 0.03 1.98 0.52 0.76 -1.82 118.95 126.20 1sgz s ARG 235 Ca 0.25 -0.57 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 1sgz s ARG 235 Cb -0.15 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 1sgz s ARG 235 CO 0.10 0.40 -0.18 -0.51 0.02 0.00 0.00 175.30 175.13 1sgz s LEU 236 N -0.09 2.14 0.48 2.53 1.43 -0.35 -0.33 118.68 124.49 1sgz s LEU 236 Ca 0.01 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 1sgz s LEU 236 Cb -0.13 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 1sgz s LEU 236 CO 0.03 0.14 1.00 -2.65 0.23 0.00 0.00 176.35 175.09 1sgz n PRO 237 N 2.06 1.23 -0.28 1.29 -0.02 -1.26 0.54 135.00 138.56 1sgz n PRO 237 Ca -0.17 0.45 -0.07 0.00 -2.02 0.00 0.00 63.50 61.69 1sgz n PRO 237 Cb 0.54 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 1sgz n PRO 237 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sgz n LYS 238 N -0.23 -0.30 -0.28 -0.52 4.81 -1.07 -0.41 118.16 120.16 1sgz n LYS 238 Ca 0.10 1.12 -0.02 0.00 -0.87 0.00 0.00 58.31 58.65 1sgz n LYS 238 Cb 0.42 -1.64 0.11 0.00 0.02 0.00 0.00 35.03 33.93 1sgz n LYS 238 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1sgz h LYS 239 N 0.00 0.89 -0.22 1.64 1.57 -1.92 -0.78 116.57 117.75 1sgz h LYS 239 Ca 0.11 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1sgz h LYS 239 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1sgz h LYS 239 CO -0.63 0.59 -0.06 0.28 -0.57 0.00 0.00 179.45 179.06 1sgz h VAL 240 N 0.92 1.29 -0.48 0.50 2.07 -1.49 -2.38 116.25 116.67 1sgz h VAL 240 Ca 0.33 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.87 1sgz h VAL 240 Cb 0.08 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1sgz h VAL 240 CO -0.14 0.32 0.11 0.15 0.02 0.00 0.00 177.57 178.04 1sgz h PHE 241 N 0.15 0.19 -0.64 1.57 3.57 -0.39 0.20 116.94 121.59 1sgz h PHE 241 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1sgz h PHE 241 Cb 0.51 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1sgz h PHE 241 CO 0.05 0.02 0.38 0.93 -2.23 0.00 0.00 178.31 177.46 1sgz h GLU 242 N 0.26 0.88 -0.53 1.11 5.08 -1.07 -0.08 114.58 120.22 1sgz h GLU 242 Ca 0.24 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1sgz h GLU 242 Cb 0.29 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1sgz h GLU 242 CO -0.29 0.64 -0.07 0.00 -1.00 0.00 0.00 179.01 178.28 1sgz h ALA 243 N 1.19 0.72 -0.05 3.43 0.00 -0.85 -2.49 119.26 121.22 1sgz h ALA 243 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sgz h ALA 243 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1sgz h ALA 243 CO -0.04 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.83 1sgz h ALA 244 N 0.93 0.06 -0.81 0.00 0.00 -0.30 -2.30 119.26 116.84 1sgz h ALA 244 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sgz h ALA 244 Cb 0.63 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1sgz h ALA 244 CO 0.04 -0.32 0.49 0.28 0.00 0.00 0.00 179.25 179.75 1sgz h VAL 245 N -0.14 1.22 -0.49 0.00 2.07 -1.02 0.25 116.25 118.14 1sgz h VAL 245 Ca 0.01 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1sgz h VAL 245 Cb 0.24 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1sgz h VAL 245 CO 0.00 0.23 0.26 0.50 0.02 0.00 0.00 177.57 178.59 1sgz h LYS 246 N 1.12 0.69 -0.22 1.57 3.64 -1.38 0.13 116.57 122.11 1sgz h LYS 246 Ca 0.29 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1sgz h LYS 246 Cb -0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1sgz h LYS 246 CO -0.06 0.54 -0.14 1.03 -2.27 0.00 0.00 179.45 178.56 1sgz h SER 247 N 0.65 0.51 -0.19 4.20 0.87 -0.80 -1.16 113.55 117.62 1sgz h SER 247 Ca 0.17 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1sgz h SER 247 Cb 0.06 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1sgz h SER 247 CO -0.03 0.83 0.00 0.40 -0.53 0.00 0.00 176.83 177.51 1sgz h ILE 248 N 0.19 1.18 -0.37 2.23 2.04 -0.40 -0.97 117.51 121.41 1sgz h ILE 248 Ca 0.05 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1sgz h ILE 248 Cb 0.65 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1sgz h ILE 248 CO 0.04 0.24 -0.00 0.11 0.00 0.00 0.00 178.15 178.54 1sgz h LYS 249 N 0.44 0.66 -0.75 2.37 1.57 -0.54 -2.16 116.57 118.16 1sgz h LYS 249 Ca 0.10 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1sgz h LYS 249 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1sgz h LYS 249 CO 0.01 0.77 0.28 0.00 -0.57 0.00 0.00 179.45 179.94 1sgz h ALA 250 N 0.87 1.07 0.00 3.86 0.00 -0.61 -1.69 119.26 122.77 1sgz h ALA 250 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1sgz h ALA 250 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sgz h ALA 250 CO 0.02 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.51 1sgz h ALA 251 N 1.20 1.13 -0.36 0.00 0.00 -1.09 -3.18 119.26 116.96 1sgz h ALA 251 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sgz h ALA 251 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sgz h ALA 251 CO -0.02 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 1sgz n SER 252 N -3.76 4.22 0.00 0.00 3.41 -0.82 -4.73 113.62 111.93 1sgz n SER 252 Ca -0.01 -2.85 0.04 0.00 -0.26 0.00 0.00 58.87 55.79 1sgz n SER 252 Cb 0.48 -0.54 0.18 0.00 -0.26 0.00 0.00 64.21 64.07 1sgz n SER 252 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sgz n SER 253 N -0.05 0.00 0.05 4.04 3.41 -0.66 -2.08 113.62 118.33 1sgz n SER 253 Ca 0.22 0.31 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1sgz n SER 253 Cb 0.90 -0.37 0.35 0.00 -0.26 0.00 0.00 64.21 64.83 1sgz n SER 253 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sgz n THR 254 N -1.37 1.06 -4.38 6.66 -2.24 -1.26 -4.46 114.28 108.29 1sgz n THR 254 Ca 0.03 0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.91 1sgz n THR 254 Cb 0.07 -1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 67.00 1sgz n THR 254 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sgz s GLU 255 N -3.13 0.98 -0.09 -0.78 2.02 -0.88 -5.15 118.70 111.67 1sgz s GLU 255 Ca 0.05 -0.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 1sgz s GLU 255 Cb 0.08 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1sgz s GLU 255 CO 0.27 0.09 0.07 0.15 0.02 0.00 0.00 175.26 175.86 1sgz s LYS 256 N 0.27 3.18 0.03 1.61 -0.14 -1.26 -4.94 119.74 118.48 1sgz s LYS 256 Ca -0.04 -0.30 0.05 0.00 -1.36 0.00 0.00 55.97 54.31 1sgz s LYS 256 Cb -0.09 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.07 1sgz s LYS 256 CO 0.01 0.73 -0.15 -0.06 -0.76 0.00 0.00 175.35 175.12 1sgz s PHE 257 N -0.98 1.28 0.71 3.18 0.40 -1.26 -5.14 117.98 116.17 1sgz s PHE 257 Ca 0.15 -0.33 -0.16 0.00 -0.60 0.00 0.00 56.93 55.99 1sgz s PHE 257 Cb -0.12 -0.77 0.03 0.00 0.51 0.00 0.00 43.02 42.66 1sgz s PHE 257 CO 0.05 0.03 1.23 -1.25 0.70 0.00 0.00 175.22 175.98 1sgz s PRO 258 N -0.98 2.24 0.58 0.24 0.04 -1.26 -4.87 135.00 130.98 1sgz s PRO 258 Ca 0.03 1.86 0.28 0.00 0.04 0.00 0.00 61.00 63.20 1sgz s PRO 258 Cb -0.07 -1.83 1.60 0.00 0.04 0.00 0.00 34.50 34.23 1sgz s PRO 258 CO 0.01 -1.78 2.08 -0.44 0.04 0.00 0.00 177.00 176.90 1sgz h ASP 259 N -0.05 0.00 -0.30 6.66 3.32 -2.00 0.13 116.42 124.18 1sgz h ASP 259 Ca -0.49 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 1sgz h ASP 259 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1sgz h ASP 259 CO 0.51 0.00 0.10 1.23 -1.72 0.00 0.00 179.24 179.35 1sgz h GLY 260 N 0.00 0.58 0.78 2.75 0.00 -1.95 -2.06 103.07 103.17 1sgz h GLY 260 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1sgz h GLY 260 CO -0.00 0.28 -0.05 -2.75 0.00 0.00 0.00 176.54 174.01 1sgz h PHE 261 N 0.53 -0.13 0.00 5.60 3.57 -0.90 -2.28 116.94 123.33 1sgz h PHE 261 Ca 0.13 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1sgz h PHE 261 Cb 0.19 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1sgz h PHE 261 CO 0.01 0.11 -0.00 -1.49 -2.23 0.00 0.00 178.31 174.70 1sgz h TRP 262 N -0.36 0.00 -0.49 0.41 4.06 -1.45 -1.70 115.95 116.41 1sgz h TRP 262 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1sgz h TRP 262 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1sgz h TRP 262 CO -0.00 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.16 1sgz n LEU 263 N -3.10 3.28 0.00 -4.49 4.77 -0.80 -4.95 117.00 111.70 1sgz n LEU 263 Ca -0.01 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1sgz n LEU 263 Cb 0.20 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1sgz n LEU 263 CO 0.24 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1sgz n GLY 264 N 1.48 0.46 0.82 -0.72 0.00 -0.64 -4.91 105.19 101.69 1sgz n GLY 264 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1sgz n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sgz n GLU 265 N -2.53 2.12 -4.08 1.61 4.71 -0.90 -4.83 120.64 116.74 1sgz n GLU 265 Ca 0.00 -1.94 -0.15 0.00 -0.01 0.00 0.00 57.16 55.06 1sgz n GLU 265 Cb 0.06 -1.36 -0.14 0.00 -1.01 0.00 0.00 31.44 28.98 1sgz n GLU 265 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1sgz s GLN 266 N -1.18 0.33 0.34 3.49 0.74 -0.96 -4.96 119.66 117.46 1sgz s GLN 266 Ca 0.28 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.56 1sgz s GLN 266 Cb 0.16 -0.34 -0.03 0.00 1.10 0.00 0.00 33.01 33.90 1sgz s GLN 266 CO 0.22 0.06 0.54 -0.48 -0.55 0.00 0.00 175.29 175.09 1sgz s LEU 267 N 0.02 4.02 -0.01 3.68 2.34 -1.26 -4.23 118.68 123.24 1sgz s LEU 267 Ca 0.00 0.47 0.07 0.00 0.06 0.00 0.00 54.13 54.73 1sgz s LEU 267 Cb -0.03 -3.33 -0.02 0.00 -0.56 0.00 0.00 46.19 42.26 1sgz s LEU 267 CO -0.00 -0.28 -0.23 -0.69 -1.06 0.00 0.00 176.35 174.09 1sgz s VAL 268 N -2.29 1.83 0.05 1.48 1.01 -0.47 -4.93 120.40 117.08 1sgz s VAL 268 Ca 0.40 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1sgz s VAL 268 Cb -0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1sgz s VAL 268 CO 0.35 0.49 -0.19 0.00 0.00 0.00 0.00 175.10 175.75 1sgz s TRP 270 N -0.83 1.23 0.51 0.00 0.51 -0.63 -4.98 118.94 114.76 1sgz s TRP 270 Ca 0.06 -0.63 -0.22 0.00 -2.12 0.00 0.00 56.10 53.20 1sgz s TRP 270 Cb -0.09 -0.65 -0.07 0.00 -0.81 0.00 0.00 33.47 31.85 1sgz s TRP 270 CO 0.02 0.07 1.09 0.94 -0.51 0.00 0.00 176.95 178.56 1sgz n GLN 271 N 0.44 1.32 -1.71 4.98 7.27 -1.26 -1.00 117.38 127.43 1sgz n GLN 271 Ca -0.15 0.48 -0.65 0.00 0.07 0.00 0.00 57.00 56.75 1sgz n GLN 271 Cb 0.58 -2.23 -0.09 0.00 2.41 0.00 0.00 30.24 30.90 1sgz n GLN 271 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sgz n ALA 272 N -1.03 -1.55 -0.38 1.69 0.00 -1.26 -1.17 120.51 116.82 1sgz n ALA 272 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1sgz n ALA 272 Cb 0.43 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1sgz n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgz n GLY 273 N 3.63 2.19 1.27 0.00 0.00 -1.26 -4.90 105.19 106.12 1sgz n GLY 273 Ca 0.29 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.40 1sgz n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgz n THR 274 N -2.00 1.13 -1.67 2.61 -2.24 -0.32 -4.97 114.28 106.82 1sgz n THR 274 Ca 0.00 -0.92 -0.52 0.00 -2.27 0.00 0.00 64.05 60.35 1sgz n THR 274 Cb 0.00 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 1sgz n THR 274 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1sgz n THR 275 N 1.22 0.29 -1.64 4.28 -1.04 -1.26 -4.81 114.28 111.32 1sgz n THR 275 Ca 0.22 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.77 1sgz n THR 275 Cb 0.63 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.73 1sgz n THR 275 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sgz n PRO 276 N 4.95 3.58 -0.29 -2.82 -0.04 -1.26 -4.77 135.00 134.35 1sgz n PRO 276 Ca 0.22 -2.64 0.11 0.00 -0.04 0.00 0.00 63.50 61.15 1sgz n PRO 276 Cb 0.22 -2.93 0.27 0.00 -0.04 0.00 0.00 33.50 31.01 1sgz n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1sgz h TRP 277 N 5.32 0.40 -0.11 0.54 4.06 -1.95 -1.70 115.95 122.49 1sgz h TRP 277 Ca 0.71 0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.74 1sgz h TRP 277 Cb 0.43 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1sgz h TRP 277 CO 1.65 -0.15 0.14 -2.95 -3.56 0.00 0.00 178.44 173.58 1sgz h ASN 278 N 0.26 0.00 1.66 -3.49 7.08 -2.00 -1.85 115.58 117.24 1sgz h ASN 278 Ca 0.52 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.70 1sgz h ASN 278 Cb 1.01 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.25 1sgz h ASN 278 CO -0.60 0.00 -0.19 0.16 -2.08 0.00 0.00 177.43 174.72 1sgz h ILE 279 N 0.00 0.34 -3.53 6.14 3.07 -1.67 -3.44 117.51 118.43 1sgz h ILE 279 Ca 0.05 -1.39 -0.53 0.00 1.55 0.00 0.00 64.86 64.55 1sgz h ILE 279 Cb 0.34 2.09 -0.03 0.00 -0.27 0.00 0.00 36.82 38.95 1sgz h ILE 279 CO -0.00 0.19 0.14 -0.36 -1.05 0.00 0.00 178.15 177.07 1sgz s PHE 280 N -3.20 3.79 0.65 0.16 0.08 -0.70 -3.76 117.98 115.01 1sgz s PHE 280 Ca 0.05 1.51 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 1sgz s PHE 280 Cb 0.07 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1sgz s PHE 280 CO 0.68 0.44 1.01 -1.25 -0.10 0.00 0.00 175.22 176.01 1sgz s PRO 281 N -1.50 2.93 0.50 0.24 0.04 -1.26 -4.83 135.00 131.13 1sgz s PRO 281 Ca 0.38 0.29 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 1sgz s PRO 281 Cb -0.20 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1sgz s PRO 281 CO 0.23 -0.86 0.80 0.14 0.04 0.00 0.00 177.00 177.35 1sgz s VAL 282 N -3.19 4.51 -0.07 -0.36 -7.23 -1.26 -4.29 120.40 108.50 1sgz s VAL 282 Ca 0.56 0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.82 1sgz s VAL 282 Cb -0.11 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.12 1sgz s VAL 282 CO 0.49 -0.70 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.84 1sgz s ILE 283 N -2.78 1.14 -0.12 -0.62 1.01 -0.59 -1.31 121.20 117.94 1sgz s ILE 283 Ca 0.49 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1sgz s ILE 283 Cb -0.10 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1sgz s ILE 283 CO 0.44 0.36 -0.18 -0.44 0.00 0.00 0.00 174.94 175.12 1sgz s SER 284 N 0.75 3.57 -0.20 3.58 0.01 -0.64 -0.56 113.70 120.20 1sgz s SER 284 Ca -0.13 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 1sgz s SER 284 Cb -0.16 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1sgz s SER 284 CO 0.03 0.16 -0.04 -0.76 0.41 0.00 0.00 173.24 173.03 1sgz s LEU 285 N 0.36 2.99 -0.08 2.44 1.43 0.55 -1.40 118.68 124.97 1sgz s LEU 285 Ca -0.14 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1sgz s LEU 285 Cb -0.17 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1sgz s LEU 285 CO 0.07 0.04 0.46 -0.31 0.23 0.00 0.00 176.35 176.84 1sgz s TYR 286 N 1.14 3.58 0.08 0.29 1.51 0.70 -0.84 117.35 123.81 1sgz s TYR 286 Ca 0.02 0.92 0.07 0.00 -1.01 0.00 0.00 57.07 57.07 1sgz s TYR 286 Cb -0.15 -2.48 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1sgz s TYR 286 CO -0.00 0.31 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.10 1sgz s LEU 287 N 0.11 2.85 0.35 -1.29 1.43 0.10 -0.60 118.68 121.64 1sgz s LEU 287 Ca 0.25 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 1sgz s LEU 287 Cb -0.16 -1.67 -0.11 0.00 0.03 0.00 0.00 46.19 44.28 1sgz s LEU 287 CO 0.11 0.21 1.53 -0.32 0.23 0.00 0.00 176.35 178.11 1sgz s MET 288 N -1.89 4.10 0.60 1.70 -2.45 -0.94 -1.95 119.30 118.47 1sgz s MET 288 Ca 0.18 2.59 0.04 0.00 -1.25 0.00 0.00 55.69 57.25 1sgz s MET 288 Cb -0.11 -2.98 0.08 0.00 1.25 0.00 0.00 34.83 33.07 1sgz s MET 288 CO 0.10 -0.58 0.83 0.20 1.05 0.00 0.00 175.02 176.61 1sgz s GLY 289 N 0.08 1.79 0.37 2.11 0.00 0.10 -4.10 107.32 107.67 1sgz s GLY 289 Ca 0.56 -1.74 0.20 0.00 0.00 0.00 0.00 44.72 43.74 1sgz s GLY 289 CO 0.59 -1.32 1.61 0.83 0.00 0.00 0.00 173.10 174.80 1sgz h GLU 290 N -0.04 0.00 -5.84 2.90 5.08 -1.79 -3.42 114.58 111.47 1sgz h GLU 290 Ca -0.36 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.42 1sgz h GLU 290 Cb 1.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 1sgz h GLU 290 CO 0.44 0.30 -0.01 0.08 -1.00 0.00 0.00 179.01 178.82 1sgz s VAL 291 N -3.24 5.11 0.21 3.13 1.01 -1.26 -5.01 120.40 120.35 1sgz s VAL 291 Ca 0.03 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1sgz s VAL 291 Cb 0.08 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1sgz s VAL 291 CO 0.69 0.27 0.95 0.41 0.00 0.00 0.00 175.10 177.42 1sgz n THR 292 N 3.86 1.52 -1.98 3.92 -1.04 -1.26 -0.46 114.28 118.83 1sgz n THR 292 Ca -0.04 -0.38 -0.19 0.00 -2.04 0.00 0.00 64.05 61.40 1sgz n THR 292 Cb 0.51 -0.66 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 1sgz n THR 292 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1sgz n ASN 293 N 1.68 -5.16 -4.16 8.00 3.02 -1.26 -4.96 115.26 112.42 1sgz n ASN 293 Ca 0.14 0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.68 1sgz n ASN 293 Cb 0.27 -4.46 -0.16 0.00 -0.61 0.00 0.00 39.78 34.82 1sgz n ASN 293 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1sgz s GLN 294 N -4.32 1.52 0.24 3.52 0.74 0.39 -1.82 119.66 119.92 1sgz s GLN 294 Ca 0.00 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.80 1sgz s GLN 294 Cb 0.00 -1.42 -0.04 0.00 1.10 0.00 0.00 33.01 32.65 1sgz s GLN 294 CO 0.00 0.34 0.16 -1.54 -0.55 0.00 0.00 175.29 173.70 1sgz s SER 295 N -0.28 0.61 0.18 6.67 1.04 -0.35 0.01 113.70 121.59 1sgz s SER 295 Ca 0.04 -1.48 -0.06 0.00 0.48 0.00 0.00 55.95 54.93 1sgz s SER 295 Cb -0.08 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1sgz s SER 295 CO 0.00 -0.89 0.22 0.72 0.98 0.00 0.00 173.24 174.28 1sgz s PHE 296 N -3.95 0.71 0.09 5.02 -0.12 -0.82 -0.42 117.98 118.49 1sgz s PHE 296 Ca 0.39 -1.03 0.05 0.00 -0.05 0.00 0.00 56.93 56.29 1sgz s PHE 296 Cb 0.06 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1sgz s PHE 296 CO 0.16 -0.70 -0.13 -0.98 -0.05 0.00 0.00 175.22 173.52 1sgz s ARG 297 N -4.05 0.90 -0.07 1.99 1.70 0.23 0.02 118.95 119.67 1sgz s ARG 297 Ca 0.26 -1.09 0.04 0.00 -0.47 0.00 0.00 55.73 54.47 1sgz s ARG 297 Cb 0.05 -0.80 -0.02 0.00 -0.57 0.00 0.00 34.95 33.61 1sgz s ARG 297 CO 0.05 0.16 -0.20 0.96 -1.08 0.00 0.00 175.30 175.19 1sgz s ILE 298 N -1.80 2.50 -0.10 4.99 -4.36 -0.02 -1.55 121.20 120.86 1sgz s ILE 298 Ca 0.03 -0.90 0.04 0.00 -0.26 0.00 0.00 60.65 59.56 1sgz s ILE 298 Cb -0.07 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.69 1sgz s ILE 298 CO 0.02 0.57 -0.24 -0.89 0.24 0.00 0.00 174.94 174.64 1sgz s THR 299 N -0.20 2.09 0.29 8.37 2.01 0.25 -0.33 115.64 128.11 1sgz s THR 299 Ca -0.01 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.08 1sgz s THR 299 Cb -0.13 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1sgz s THR 299 CO 0.03 0.56 -0.08 0.27 -0.69 0.00 0.00 174.62 174.71 1sgz s ILE 300 N 0.36 2.79 0.42 1.82 -4.36 0.27 -1.99 121.20 120.52 1sgz s ILE 300 Ca -0.18 -2.14 0.08 0.00 -0.26 0.00 0.00 60.65 58.14 1sgz s ILE 300 Cb -0.18 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 1sgz s ILE 300 CO 0.08 -0.33 0.34 -0.76 0.24 0.00 0.00 174.94 174.52 1sgz s LEU 301 N -3.62 3.31 0.57 0.37 1.43 -1.26 -1.54 118.68 117.95 1sgz s LEU 301 Ca 0.32 -0.83 0.34 0.00 -1.03 0.00 0.00 54.13 52.93 1sgz s LEU 301 Cb -0.04 -1.90 1.73 0.00 0.03 0.00 0.00 46.19 46.01 1sgz s LEU 301 CO 0.18 -0.65 2.15 1.55 0.23 0.00 0.00 176.35 179.80 1sgz h PRO 302 N 1.09 0.00 0.00 1.29 0.13 -1.88 0.97 132.00 133.59 1sgz h PRO 302 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1sgz h PRO 302 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1sgz h PRO 302 CO 0.60 0.05 0.00 1.96 -0.23 0.00 0.00 178.00 180.38 1sgz h GLN 303 N 0.00 0.00 0.03 0.86 7.50 -1.86 0.96 115.11 122.60 1sgz h GLN 303 Ca -0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.80 1sgz h GLN 303 Cb 0.27 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.75 1sgz h GLN 303 CO 0.01 0.00 -1.96 1.04 -1.50 0.00 0.00 178.83 176.41 1sgz n GLN 304 N -2.65 0.63 0.00 1.46 3.00 0.29 -4.56 117.38 115.54 1sgz n GLN 304 Ca -0.00 0.36 0.15 0.00 -0.01 0.00 0.00 57.00 57.49 1sgz n GLN 304 Cb 0.16 -1.63 0.65 0.00 0.00 0.00 0.00 30.24 29.42 1sgz n GLN 304 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1sgz n TYR 305 N -4.00 0.00 -3.73 1.08 0.18 -0.90 -4.50 117.16 105.28 1sgz n TYR 305 Ca -0.40 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.00 1sgz n TYR 305 Cb 0.87 -0.04 -0.12 0.00 -0.38 0.00 0.00 39.34 39.67 1sgz n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1sgz s LEU 306 N -2.12 4.60 -0.18 -3.48 1.43 0.31 0.11 118.68 119.34 1sgz s LEU 306 Ca 0.38 -1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 51.89 1sgz s LEU 306 Cb 0.21 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1sgz s LEU 306 CO 0.38 -0.40 0.82 -0.60 0.23 0.00 0.00 176.35 176.78 1sgz s ARG 307 N 1.37 4.28 0.34 1.70 3.52 0.88 -4.77 118.95 126.26 1sgz s ARG 307 Ca 0.00 0.98 -0.29 0.00 -0.13 0.00 0.00 55.73 56.30 1sgz s ARG 307 Cb -0.21 -3.58 -0.11 0.00 -1.56 0.00 0.00 34.95 29.50 1sgz s ARG 307 CO 0.01 -0.33 1.39 -2.14 -0.81 0.00 0.00 175.30 173.43 1sgz s PRO 308 N 2.17 4.25 -0.07 5.12 0.02 -1.26 -0.74 135.00 144.49 1sgz s PRO 308 Ca 0.37 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.65 1sgz s PRO 308 Cb -0.16 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.35 1sgz s PRO 308 CO 0.12 -0.35 0.29 0.14 -0.33 0.00 0.00 177.00 176.87 1sgz s VAL 309 N -1.01 0.03 0.28 3.83 -7.23 -0.81 -4.69 120.40 110.80 1sgz s VAL 309 Ca 0.52 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 1sgz s VAL 309 Cb -0.43 -0.50 -0.10 0.00 0.56 0.00 0.00 36.38 35.92 1sgz s VAL 309 CO 0.56 -0.14 1.13 -0.70 -0.31 0.00 0.00 175.10 175.65 1sgz s GLU 310 N -0.55 4.59 0.51 4.82 2.56 -1.26 -3.96 118.70 125.41 1sgz s GLU 310 Ca -0.07 1.87 -0.21 0.00 0.00 0.00 0.00 54.97 56.56 1sgz s GLU 310 Cb -0.04 -3.18 -0.08 0.00 2.00 0.00 0.00 34.13 32.84 1sgz s GLU 310 CO 0.02 0.14 0.97 -3.47 -0.56 0.00 0.00 175.26 172.36 1sgz n ASP 311 N 1.23 0.97 -0.21 -1.70 2.03 -1.26 -4.93 116.55 112.68 1sgz n ASP 311 Ca -0.01 0.92 -0.13 0.00 0.52 0.00 0.00 54.79 56.09 1sgz n ASP 311 Cb 0.44 -1.37 -0.10 0.00 -0.72 0.00 0.00 41.12 39.38 1sgz n ASP 311 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1sgz h VAL 312 N 1.02 0.00 0.00 5.18 -1.51 -1.99 -3.41 116.25 115.54 1sgz h VAL 312 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1sgz h VAL 312 Cb 1.35 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1sgz h VAL 312 CO 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.88 1sgz n ALA 313 N -3.13 0.00 -3.74 5.19 0.00 -1.26 -5.09 120.51 112.48 1sgz n ALA 313 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1sgz n ALA 313 Cb 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.63 1sgz n ALA 313 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sgz s THR 314 N 1.36 -0.06 0.07 0.00 -4.23 -1.26 -5.15 115.64 106.37 1sgz s THR 314 Ca 0.00 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.42 1sgz s THR 314 Cb 0.00 -0.28 0.09 0.00 1.34 0.00 0.00 72.50 73.65 1sgz s THR 314 CO 0.00 0.07 1.06 -0.94 -0.54 0.00 0.00 174.62 174.27 1sgz s SER 315 N 1.26 -0.16 0.10 3.99 1.04 -1.26 -4.98 113.70 113.68 1sgz s SER 315 Ca -0.09 -0.26 0.25 0.00 0.48 0.00 0.00 55.95 56.33 1sgz s SER 315 Cb -0.11 0.37 0.58 0.00 0.10 0.00 0.00 66.02 66.95 1sgz s SER 315 CO -0.07 -0.66 1.51 0.00 0.98 0.00 0.00 173.24 175.00 1sgz n GLN 316 N -0.43 0.19 -1.48 4.02 1.13 -1.26 -4.90 117.38 114.66 1sgz n GLN 316 Ca -0.07 0.09 -0.49 0.00 -1.94 0.00 0.00 57.00 54.59 1sgz n GLN 316 Cb 0.61 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 1sgz n GLN 316 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1sgz n ASP 317 N -1.95 -0.21 -4.56 1.08 9.92 -1.26 -4.01 116.55 115.56 1sgz n ASP 317 Ca 0.05 1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 55.05 1sgz n ASP 317 Cb 0.41 -1.05 -0.10 0.00 -0.64 0.00 0.00 41.12 39.74 1sgz n ASP 317 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1sgz s ASP 318 N -0.62 6.13 0.18 -2.24 -0.00 -0.17 -4.68 116.67 115.27 1sgz s ASP 318 Ca 0.69 -0.16 0.10 0.00 -0.00 0.00 0.00 52.55 53.17 1sgz s ASP 318 Cb -0.93 -2.17 -0.04 0.00 -0.00 0.00 0.00 42.92 39.78 1sgz s ASP 318 CO 0.56 -0.23 -0.16 0.00 -0.00 0.00 0.00 175.17 175.34 1sgz s TYR 320 N -1.61 0.09 0.06 0.00 1.51 -0.29 -1.93 117.35 115.19 1sgz s TYR 320 Ca 0.22 -0.47 0.08 0.00 -1.01 0.00 0.00 57.07 55.89 1sgz s TYR 320 Cb -0.09 0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.80 1sgz s TYR 320 CO 0.12 -0.67 -0.20 0.15 -1.11 0.00 0.00 175.55 173.84 1sgz s LYS 321 N -3.87 1.92 -0.32 -0.62 1.02 0.08 -1.36 119.74 116.58 1sgz s LYS 321 Ca 0.08 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 1sgz s LYS 321 Cb 0.03 -2.12 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1sgz s LYS 321 CO -0.08 0.52 1.40 0.12 -0.92 0.00 0.00 175.35 176.39 1sgz s PHE 322 N -0.95 2.48 -0.36 3.18 5.36 -1.26 -0.09 117.98 126.34 1sgz s PHE 322 Ca 0.15 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.88 1sgz s PHE 322 Cb -0.10 -4.04 0.36 0.00 -0.34 0.00 0.00 43.02 38.90 1sgz s PHE 322 CO 0.06 -2.02 1.81 0.00 -1.46 0.00 0.00 175.22 173.61 1sgz n ALA 323 N 8.17 5.03 -3.20 11.12 0.00 0.12 -4.54 120.51 137.20 1sgz n ALA 323 Ca 0.16 -2.07 -0.29 0.00 0.00 0.00 0.00 53.44 51.24 1sgz n ALA 323 Cb 0.47 -1.40 -0.17 0.00 0.00 0.00 0.00 19.45 18.35 1sgz n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sgz s ILE 324 N -2.64 1.72 0.17 0.00 1.01 -1.26 -1.22 121.20 118.97 1sgz s ILE 324 Ca 0.40 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1sgz s ILE 324 Cb 0.32 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1sgz s ILE 324 CO 0.03 0.48 0.23 -0.94 0.00 0.00 0.00 174.94 174.74 1sgz s SER 325 N 0.35 0.11 0.32 3.58 1.04 -0.76 -4.73 113.70 113.61 1sgz s SER 325 Ca -0.14 -1.01 -0.16 0.00 0.48 0.00 0.00 55.95 55.11 1sgz s SER 325 Cb -0.16 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 1sgz s SER 325 CO 0.06 -0.87 0.76 0.00 0.98 0.00 0.00 173.24 174.17 1sgz s GLN 326 N -4.01 4.06 0.14 4.02 -2.07 -1.26 -1.21 119.66 119.33 1sgz s GLN 326 Ca 0.21 0.74 0.09 0.00 -1.82 0.00 0.00 55.36 54.58 1sgz s GLN 326 Cb 0.04 -2.47 -0.04 0.00 -1.09 0.00 0.00 33.01 29.46 1sgz s GLN 326 CO 0.02 0.17 -0.21 0.45 -1.32 0.00 0.00 175.29 174.41 1sgz s SER 327 N -2.18 2.76 0.00 12.60 0.15 0.19 -4.74 113.70 122.47 1sgz s SER 327 Ca 0.53 -0.79 0.07 0.00 0.70 0.00 0.00 55.95 56.47 1sgz s SER 327 Cb -0.11 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1sgz s SER 327 CO 0.17 0.04 0.63 -1.54 1.20 0.00 0.00 173.24 173.73 1sgz n SER 328 N 0.64 1.32 -1.31 5.45 3.41 -1.26 -2.60 113.62 119.27 1sgz n SER 328 Ca -0.16 -1.16 -0.08 0.00 -0.26 0.00 0.00 58.87 57.21 1sgz n SER 328 Cb 0.55 0.19 0.16 0.00 -0.26 0.00 0.00 64.21 64.86 1sgz n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sgz n THR 329 N 0.09 2.57 -0.99 6.66 -2.24 -1.26 -5.02 114.28 114.08 1sgz n THR 329 Ca 0.03 -3.12 0.00 0.00 -2.27 0.00 0.00 64.05 58.69 1sgz n THR 329 Cb 0.15 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1sgz n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgz n GLY 330 N -1.04 -2.58 3.76 3.38 0.00 -1.21 -4.51 105.19 103.00 1sgz n GLY 330 Ca 0.35 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1sgz n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgz s THR 331 N -0.45 4.56 -0.16 2.61 2.01 0.18 -4.19 115.64 120.20 1sgz s THR 331 Ca 0.00 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.69 1sgz s THR 331 Cb 0.00 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1sgz s THR 331 CO 0.00 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 1sgz s VAL 332 N -0.53 1.39 -0.88 3.82 1.01 0.55 -1.17 120.40 124.59 1sgz s VAL 332 Ca 0.38 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1sgz s VAL 332 Cb -0.22 -1.44 0.13 0.00 0.00 0.00 0.00 36.38 34.85 1sgz s VAL 332 CO 0.25 0.26 1.07 -0.04 0.00 0.00 0.00 175.10 176.63 1sgz s MET 333 N 1.53 3.51 0.04 2.72 -1.94 0.09 -0.17 119.30 125.08 1sgz s MET 333 Ca 0.02 -1.67 -0.00 0.00 -1.71 0.00 0.00 55.69 52.32 1sgz s MET 333 Cb -0.15 -4.78 0.01 0.00 2.01 0.00 0.00 34.83 31.92 1sgz s MET 333 CO -0.09 -1.74 0.05 0.41 -0.01 0.00 0.00 175.02 173.64 1sgz n GLY 334 N 5.38 -0.23 0.34 -0.03 0.00 -0.97 -1.01 105.19 108.66 1sgz n GLY 334 Ca 0.18 -1.81 0.19 0.00 0.00 0.00 0.00 46.02 44.58 1sgz n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgz h ALA 335 N -1.26 1.79 -0.14 4.61 0.00 0.20 0.87 119.26 125.33 1sgz h ALA 335 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sgz h ALA 335 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sgz h ALA 335 CO 0.01 -0.35 0.06 0.28 0.00 0.00 0.00 179.25 179.25 1sgz h VAL 336 N 0.49 1.06 0.15 0.00 2.07 -1.17 -0.10 116.25 118.75 1sgz h VAL 336 Ca 0.66 -0.19 -0.28 0.00 0.82 0.00 0.00 66.70 67.71 1sgz h VAL 336 Cb 1.32 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1sgz h VAL 336 CO -0.52 0.07 -1.39 0.40 0.02 0.00 0.00 177.57 176.15 1sgz h ILE 337 N 0.20 1.12 0.00 4.57 1.08 -1.13 -3.33 117.51 120.02 1sgz h ILE 337 Ca 0.05 -2.48 -0.02 0.00 -0.39 0.00 0.00 64.86 62.02 1sgz h ILE 337 Cb 0.04 2.85 -0.00 0.00 -3.07 0.00 0.00 36.82 36.64 1sgz h ILE 337 CO -0.01 0.75 -0.09 0.24 -0.69 0.00 0.00 178.15 178.36 1sgz h MET 338 N -0.17 0.00 0.00 2.37 2.86 -0.94 -1.95 114.93 117.10 1sgz h MET 338 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1sgz h MET 338 Cb 1.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.52 1sgz h MET 338 CO 0.13 0.09 0.00 0.93 1.06 0.00 0.00 176.91 179.12 1sgz h GLU 339 N 0.00 0.00 0.00 1.72 5.08 -1.13 -2.02 114.58 118.23 1sgz h GLU 339 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sgz h GLU 339 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1sgz h GLU 339 CO 0.01 0.00 -0.96 0.41 -1.00 0.00 0.00 179.01 177.47 1sgz n GLY 340 N -0.71 -1.21 3.23 -3.84 0.00 -0.73 -4.21 105.19 97.72 1sgz n GLY 340 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1sgz n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgz s PHE 341 N -3.17 1.17 -0.24 1.61 0.40 -0.76 -1.63 117.98 115.37 1sgz s PHE 341 Ca 0.05 -0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 55.43 1sgz s PHE 341 Cb 0.15 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 43.03 1sgz s PHE 341 CO 0.79 0.03 0.38 -0.47 0.70 0.00 0.00 175.22 176.65 1sgz s TYR 342 N -3.39 3.30 -0.18 0.36 5.04 0.71 -4.49 117.35 118.71 1sgz s TYR 342 Ca 0.15 0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 55.27 1sgz s TYR 342 Cb 0.03 -2.54 -0.00 0.00 0.35 0.00 0.00 41.96 39.80 1sgz s TYR 342 CO -0.01 -0.12 -0.12 0.08 -1.34 0.00 0.00 175.55 174.04 1sgz s VAL 343 N 1.70 2.88 -0.30 3.14 1.01 -0.17 -1.92 120.40 126.74 1sgz s VAL 343 Ca 0.16 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1sgz s VAL 343 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1sgz s VAL 343 CO 0.09 0.49 0.19 -0.69 0.00 0.00 0.00 175.10 175.17 1sgz s VAL 344 N 1.05 5.03 -0.97 2.92 1.01 0.57 -0.51 120.40 129.51 1sgz s VAL 344 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1sgz s VAL 344 Cb -0.15 -3.50 0.20 0.00 0.00 0.00 0.00 36.38 32.94 1sgz s VAL 344 CO -0.02 0.13 1.02 -0.36 0.00 0.00 0.00 175.10 175.87 1sgz s PHE 345 N 1.70 3.67 -1.23 5.22 0.08 0.17 -0.18 117.98 127.41 1sgz s PHE 345 Ca 0.06 -2.00 -0.16 0.00 0.12 0.00 0.00 56.93 54.95 1sgz s PHE 345 Cb -0.17 -4.01 0.13 0.00 -0.57 0.00 0.00 43.02 38.40 1sgz s PHE 345 CO 0.09 -1.17 1.54 0.34 -0.10 0.00 0.00 175.22 175.92 1sgz s ASP 346 N 2.46 6.96 0.32 1.36 -1.08 -0.23 -2.64 116.67 123.83 1sgz s ASP 346 Ca 0.28 -2.73 0.02 0.00 -0.52 0.00 0.00 52.55 49.61 1sgz s ASP 346 Cb -0.08 -2.47 0.54 0.00 -1.46 0.00 0.00 42.92 39.46 1sgz s ASP 346 CO -0.08 -0.93 1.87 0.03 0.52 0.00 0.00 175.17 176.58 1sgz h ARG 347 N 7.43 0.65 -0.67 4.34 3.08 -1.75 0.01 114.38 127.47 1sgz h ARG 347 Ca 0.36 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1sgz h ARG 347 Cb 0.88 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1sgz h ARG 347 CO 1.32 0.61 0.43 0.00 -1.07 0.00 0.00 179.97 181.26 1sgz h ALA 348 N 1.46 0.86 -0.65 0.04 0.00 -1.50 -2.39 119.26 117.08 1sgz h ALA 348 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sgz h ALA 348 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sgz h ALA 348 CO 0.00 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1sgz n ARG 349 N -4.66 3.43 -3.88 0.00 1.74 -1.08 -4.97 116.66 107.25 1sgz n ARG 349 Ca 0.06 -2.80 -0.28 0.00 -0.77 0.00 0.00 57.85 54.06 1sgz n ARG 349 Cb 0.05 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1sgz n ARG 349 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1sgz n LYS 350 N 1.18 -2.57 -3.70 5.56 4.81 -0.12 -4.92 118.16 118.41 1sgz n LYS 350 Ca 0.25 0.40 -0.11 0.00 -0.87 0.00 0.00 58.31 57.98 1sgz n LYS 350 Cb 0.80 -4.32 -0.06 0.00 0.02 0.00 0.00 35.03 31.48 1sgz n LYS 350 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1sgz s ARG 351 N -6.43 0.93 -0.14 1.64 1.70 -0.55 -1.36 118.95 114.74 1sgz s ARG 351 Ca 0.16 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.89 1sgz s ARG 351 Cb -0.06 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1sgz s ARG 351 CO 0.88 -0.33 -0.20 0.42 -1.08 0.00 0.00 175.30 175.00 1sgz s ILE 352 N -3.01 2.27 -0.02 4.99 1.01 -0.03 -1.06 121.20 125.35 1sgz s ILE 352 Ca -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1sgz s ILE 352 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1sgz s ILE 352 CO -0.06 0.54 0.11 -0.83 0.00 0.00 0.00 174.94 174.70 1sgz s GLY 353 N 0.76 2.07 -0.04 6.18 0.00 0.75 -0.94 107.32 116.09 1sgz s GLY 353 Ca -0.08 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1sgz s GLY 353 CO -0.00 -0.67 -0.17 -1.36 0.00 0.00 0.00 173.10 170.90 1sgz s PHE 354 N -1.20 1.68 0.02 1.90 0.40 0.61 -0.31 117.98 121.09 1sgz s PHE 354 Ca 0.23 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1sgz s PHE 354 Cb -0.12 -1.14 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1sgz s PHE 354 CO 0.14 -0.17 0.07 0.00 0.70 0.00 0.00 175.22 175.96 1sgz s ALA 355 N 0.07 -0.08 0.19 5.36 0.00 -0.81 -1.00 121.76 125.49 1sgz s ALA 355 Ca -0.04 -0.44 -0.32 0.00 0.00 0.00 0.00 51.96 51.16 1sgz s ALA 355 Cb -0.12 0.17 -0.12 0.00 0.00 0.00 0.00 23.12 23.06 1sgz s ALA 355 CO 0.02 -0.24 1.74 0.08 0.00 0.00 0.00 175.76 177.36 1sgz s VAL 356 N -1.91 2.15 0.17 0.00 1.01 -1.24 -0.21 120.40 120.37 1sgz s VAL 356 Ca -0.11 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1sgz s VAL 356 Cb -0.06 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1sgz s VAL 356 CO -0.02 0.00 1.08 -0.55 0.00 0.00 0.00 175.10 175.61 1sgz s SER 357 N 1.49 7.30 0.00 3.32 0.15 -0.65 -1.65 113.70 123.67 1sgz s SER 357 Ca 0.76 2.04 0.11 0.00 0.70 0.00 0.00 55.95 59.56 1sgz s SER 357 Cb -0.49 -2.60 0.51 0.00 -1.71 0.00 0.00 66.02 61.74 1sgz s SER 357 CO 0.33 -0.19 1.28 0.00 1.20 0.00 0.00 173.24 175.85 1sgz n ALA 358 N 2.43 1.61 -1.17 5.45 0.00 -0.42 -2.37 120.51 126.04 1sgz n ALA 358 Ca 0.03 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1sgz n ALA 358 Cb 0.47 -1.17 0.13 0.00 0.00 0.00 0.00 19.45 18.87 1sgz n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sgz s HIS 360 N -2.60 3.18 0.03 0.00 -0.00 -1.00 -4.55 115.29 110.36 1sgz s HIS 360 Ca 0.29 1.54 -0.22 0.00 -0.00 0.00 0.00 55.06 56.67 1sgz s HIS 360 Cb 0.25 -2.94 -0.06 0.00 -0.00 0.00 0.00 32.58 29.84 1sgz s HIS 360 CO 0.03 -0.61 0.66 0.08 -0.00 0.00 0.00 174.74 174.90 1sgz s VAL 361 N -2.28 4.79 0.19 -5.38 1.01 -1.26 -5.04 120.40 112.42 1sgz s VAL 361 Ca 0.63 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.95 1sgz s VAL 361 Cb -0.13 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1sgz s VAL 361 CO 0.25 0.42 0.37 0.00 0.00 0.00 0.00 175.10 176.14 1sgz n HIS 362 N 2.56 -1.61 -4.34 5.22 -0.00 -1.26 -4.70 115.22 111.08 1sgz n HIS 362 Ca -0.06 -0.91 -0.16 0.00 -0.00 0.00 0.00 57.72 56.59 1sgz n HIS 362 Cb 0.50 0.44 -0.04 0.00 -0.00 0.00 0.00 29.99 30.89 1sgz n HIS 362 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1sgz n ASP 363 N -1.30 1.91 0.14 4.39 5.68 -1.19 -5.03 116.55 121.15 1sgz n ASP 363 Ca -0.04 -2.20 0.13 0.00 -0.50 0.00 0.00 54.79 52.18 1sgz n ASP 363 Cb 0.29 0.38 0.47 0.00 -1.14 0.00 0.00 41.12 41.12 1sgz n ASP 363 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1sgz h GLU 364 N 0.00 0.00 0.00 0.11 4.81 -2.05 -3.27 114.58 114.17 1sgz h GLU 364 Ca -0.20 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.91 1sgz h GLU 364 Cb 0.68 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1sgz h GLU 364 CO 0.33 0.00 -1.63 1.19 -0.73 0.00 0.00 179.01 178.16 1sgz n PHE 365 N -2.36 0.58 -3.87 0.92 3.01 -1.26 -4.99 117.46 109.50 1sgz n PHE 365 Ca 0.03 0.18 -0.11 0.00 1.01 0.00 0.00 57.45 58.56 1sgz n PHE 365 Cb 0.31 -0.90 -0.10 0.00 -0.01 0.00 0.00 39.48 38.78 1sgz n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1sgz s ARG 366 N -3.10 0.47 0.18 -1.08 0.52 -1.23 -5.17 118.95 109.54 1sgz s ARG 366 Ca -0.05 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1sgz s ARG 366 Cb 0.10 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 1sgz s ARG 366 CO 0.84 -0.11 -0.01 0.95 0.02 0.00 0.00 175.30 176.98 1sgz s THR 367 N -1.30 0.82 0.92 0.02 -4.23 -1.26 -3.15 115.64 107.45 1sgz s THR 367 Ca -0.14 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.26 1sgz s THR 367 Cb -0.07 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.79 1sgz s THR 367 CO 0.02 -0.49 1.09 0.00 -0.54 0.00 0.00 174.62 174.69 1sgz s ALA 368 N -3.56 1.39 0.05 3.99 0.00 -1.26 -4.90 121.76 117.47 1sgz s ALA 368 Ca 0.23 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 1sgz s ALA 368 Cb 0.05 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1sgz s ALA 368 CO 0.04 -2.48 0.41 0.00 0.00 0.00 0.00 175.76 173.73 1sgz s ALA 369 N -2.90 -1.01 -0.20 0.00 0.00 -0.84 -4.96 121.76 111.84 1sgz s ALA 369 Ca 0.64 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 1sgz s ALA 369 Cb -0.18 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.37 1sgz s ALA 369 CO 0.57 -0.47 0.02 0.08 0.00 0.00 0.00 175.76 175.96 1sgz s VAL 370 N -2.58 0.71 0.03 0.00 1.01 -1.26 -0.58 120.40 117.73 1sgz s VAL 370 Ca -0.05 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1sgz s VAL 370 Cb -0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1sgz s VAL 370 CO -0.03 -0.19 -0.14 -1.61 0.00 0.00 0.00 175.10 173.13 1sgz s GLU 371 N 1.77 0.92 0.11 2.72 2.02 -0.60 -4.84 118.70 120.81 1sgz s GLU 371 Ca -0.02 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.00 1sgz s GLU 371 Cb -0.17 -0.92 0.08 0.00 0.10 0.00 0.00 34.13 33.22 1sgz s GLU 371 CO -0.08 0.23 1.11 0.20 0.02 0.00 0.00 175.26 176.74 1sgz s GLY 372 N -1.07 -0.07 0.36 -1.39 0.00 -1.26 -0.60 107.32 103.29 1sgz s GLY 372 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.75 1sgz s GLY 372 CO 0.01 2.24 0.50 2.56 0.00 0.00 0.00 173.10 178.41 1sgz s PRO 373 N -2.38 3.09 -0.03 2.90 0.04 -1.26 -5.08 135.00 132.28 1sgz s PRO 373 Ca 0.20 -0.96 0.04 0.00 0.04 0.00 0.00 61.00 60.33 1sgz s PRO 373 Cb -0.01 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1sgz s PRO 373 CO 0.02 -0.00 -0.16 -0.06 0.04 0.00 0.00 177.00 176.84 1sgz s PHE 374 N -2.24 1.53 -0.34 0.56 0.40 0.44 -4.94 117.98 113.40 1sgz s PHE 374 Ca 0.46 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 56.13 1sgz s PHE 374 Cb -0.10 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.43 1sgz s PHE 374 CO 0.32 -0.10 1.22 0.08 0.70 0.00 0.00 175.22 177.44 1sgz s VAL 375 N -0.11 4.24 -0.00 -0.44 1.01 -1.26 -1.20 120.40 122.62 1sgz s VAL 375 Ca 0.00 1.38 0.05 0.00 0.00 0.00 0.00 61.98 63.41 1sgz s VAL 375 Cb -0.09 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1sgz s VAL 375 CO 0.01 -0.57 -0.15 -0.89 0.00 0.00 0.00 175.10 173.50 1sgz s THR 376 N 4.25 1.21 0.27 3.92 2.01 -0.75 -4.97 115.64 121.58 1sgz s THR 376 Ca 0.52 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.90 1sgz s THR 376 Cb -0.14 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1sgz s THR 376 CO 0.23 0.29 0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 1sgz s LEU 377 N -0.50 3.22 -1.61 4.42 1.43 -1.26 -4.02 118.68 120.35 1sgz s LEU 377 Ca 0.05 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1sgz s LEU 377 Cb -0.06 -1.73 0.09 0.00 0.03 0.00 0.00 46.19 44.52 1sgz s LEU 377 CO -0.00 -0.02 0.49 0.47 0.23 0.00 0.00 176.35 177.52 1sgz n ASP 378 N -0.92 -1.34 0.19 2.29 8.00 -1.26 -4.84 116.55 118.67 1sgz n ASP 378 Ca -0.06 -1.10 0.06 0.00 0.71 0.00 0.00 54.79 54.39 1sgz n ASP 378 Cb 0.59 -2.43 0.36 0.00 -0.02 0.00 0.00 41.12 39.62 1sgz n ASP 378 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1sgz h MET 379 N -1.57 0.00 0.00 -1.24 2.86 -2.00 -2.32 114.93 110.66 1sgz h MET 379 Ca -0.62 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.00 1sgz h MET 379 Cb 1.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.04 1sgz h MET 379 CO 0.74 0.37 -0.10 1.49 1.06 0.00 0.00 176.91 180.46 1sgz h GLU 380 N 0.00 0.00 0.00 1.72 4.81 -1.98 0.30 114.58 119.44 1sgz h GLU 380 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sgz h GLU 380 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1sgz h GLU 380 CO 0.05 0.10 0.00 -0.25 -0.73 0.00 0.00 179.01 178.18 1sgz n ASP 381 N -3.56 0.30 0.13 1.04 8.00 -0.87 -1.88 116.55 119.71 1sgz n ASP 381 Ca -0.02 0.57 0.01 0.00 0.71 0.00 0.00 54.79 56.07 1sgz n ASP 381 Cb 0.23 -0.64 0.01 0.00 -0.02 0.00 0.00 41.12 40.70 1sgz n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sgz s GLY 383 N -4.49 2.75 0.07 0.00 0.00 -0.79 -3.94 107.32 100.92 1sgz s GLY 383 Ca 0.04 1.01 0.04 0.00 0.00 0.00 0.00 44.72 45.81 1sgz s GLY 383 CO 0.75 1.41 -0.01 -0.47 0.00 0.00 0.00 173.10 174.78 1sgz s TYR 384 N -1.59 2.98 0.00 1.90 5.04 -1.26 -4.93 117.35 119.50 1sgz s TYR 384 Ca 0.75 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1sgz s TYR 384 Cb -0.30 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1sgz s TYR 384 CO 0.33 0.47 0.07 0.09 -1.34 0.00 0.00 175.55 175.17