#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1szb n GLY 4 N 0.00 2.45 3.57 -3.96 0.00 -1.26 -5.05 105.19 100.94 1szb n GLY 4 Ca 0.00 -0.83 -0.48 0.00 0.00 0.00 0.00 46.02 44.71 1szb n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1szb n PRO 5 N 0.06 1.67 -1.72 1.61 -0.02 -1.26 -4.91 135.00 130.44 1szb n PRO 5 Ca 0.00 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1szb n PRO 5 Cb 0.00 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 30.76 1szb n PRO 5 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1szb n LYS 6 N 7.67 2.59 -3.66 -0.52 4.81 -1.26 -4.98 118.16 122.81 1szb n LYS 6 Ca 0.32 0.93 -0.14 0.00 -0.87 0.00 0.00 58.31 58.54 1szb n LYS 6 Cb 0.30 -2.72 -0.08 0.00 0.02 0.00 0.00 35.03 32.55 1szb n LYS 6 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1szb s TRP 7 N 0.58 -0.55 -0.03 5.64 -0.11 -1.26 -5.01 118.94 118.19 1szb s TRP 7 Ca 0.71 1.21 -0.25 0.00 1.22 0.00 0.00 56.10 58.98 1szb s TRP 7 Cb -0.54 0.23 -0.20 0.00 -1.50 0.00 0.00 33.47 31.46 1szb s TRP 7 CO 0.41 -0.38 1.17 -1.35 -4.62 0.00 0.00 176.95 172.18 1szb h PRO 8 N 4.55 -0.06 -7.05 5.86 0.11 -1.94 -3.46 132.00 130.02 1szb h PRO 8 Ca -0.28 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.34 1szb h PRO 8 Cb 1.17 0.01 0.06 0.00 0.11 0.00 0.00 31.00 32.35 1szb h PRO 8 CO 0.25 0.46 0.44 -1.21 -0.21 0.00 0.00 178.00 177.72 1szb s GLU 9 N -3.98 3.57 0.67 1.05 2.02 -1.26 -5.03 118.70 115.74 1szb s GLU 9 Ca -0.16 1.62 -0.11 0.00 0.02 0.00 0.00 54.97 56.35 1szb s GLU 9 Cb 0.01 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 32.08 1szb s GLU 9 CO 0.64 -0.68 1.05 -2.14 0.02 0.00 0.00 175.26 174.16 1szb s PRO 10 N -3.07 3.10 0.56 0.39 0.02 -1.26 -4.95 135.00 129.79 1szb s PRO 10 Ca 0.69 0.93 0.34 0.00 0.02 0.00 0.00 61.00 62.98 1szb s PRO 10 Cb -0.24 -2.01 1.45 0.00 0.02 0.00 0.00 34.50 33.72 1szb s PRO 10 CO 0.28 -0.97 2.01 -0.39 -0.33 0.00 0.00 177.00 177.61 1szb h VAL 11 N -0.57 0.00 -3.84 3.83 -1.51 -1.97 -3.46 116.25 108.74 1szb h VAL 11 Ca -0.44 -0.47 -0.10 0.00 -1.23 0.00 0.00 66.70 64.46 1szb h VAL 11 Cb 1.21 1.46 -0.10 0.00 -2.13 0.00 0.00 31.29 31.73 1szb h VAL 11 CO 0.58 0.00 -0.21 0.72 -1.23 0.00 0.00 177.57 177.43 1szb s PHE 12 N -3.70 0.53 0.00 5.19 -0.12 -1.26 0.38 117.98 119.00 1szb s PHE 12 Ca 0.01 -0.86 -0.20 0.00 -0.05 0.00 0.00 56.93 55.83 1szb s PHE 12 Cb 0.09 0.04 0.06 0.00 -0.63 0.00 0.00 43.02 42.59 1szb s PHE 12 CO 0.53 -0.94 0.89 0.41 -0.05 0.00 0.00 175.22 176.07 1szb n GLY 13 N -0.37 0.39 2.97 1.99 0.00 -0.59 -4.98 105.19 104.60 1szb n GLY 13 Ca -0.01 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1szb n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1szb s ARG 14 N -2.01 0.50 0.02 1.61 3.52 -1.26 -1.94 118.95 119.38 1szb s ARG 14 Ca 0.21 -0.22 0.06 0.00 -0.13 0.00 0.00 55.73 55.65 1szb s ARG 14 Cb -0.01 -0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 32.88 1szb s ARG 14 CO 0.00 0.13 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.93 1szb s LEU 15 N -0.14 2.11 -0.10 -0.88 1.43 0.08 -4.99 118.68 116.19 1szb s LEU 15 Ca 0.02 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1szb s LEU 15 Cb -0.02 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1szb s LEU 15 CO -0.00 0.16 0.42 0.00 0.23 0.00 0.00 176.35 177.15 1szb s ALA 16 N -0.64 -1.05 0.67 4.21 0.00 -1.26 0.56 121.76 124.25 1szb s ALA 16 Ca 0.06 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 1szb s ALA 16 Cb -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1szb s ALA 16 CO 0.01 -0.24 1.26 -1.54 0.00 0.00 0.00 175.76 175.24 1szb s SER 17 N -0.50 4.52 0.24 0.00 1.04 -0.22 -4.89 113.70 113.91 1szb s SER 17 Ca -0.06 2.52 -0.31 0.00 0.48 0.00 0.00 55.95 58.57 1szb s SER 17 Cb -0.03 -2.61 -0.13 0.00 0.10 0.00 0.00 66.02 63.34 1szb s SER 17 CO 0.03 -2.05 1.38 -2.65 0.98 0.00 0.00 173.24 170.93 1szb n PRO 18 N -2.13 1.98 -1.10 4.02 -0.02 -1.26 -1.74 135.00 134.75 1szb n PRO 18 Ca 0.15 0.71 -0.04 0.00 -2.02 0.00 0.00 63.50 62.30 1szb n PRO 18 Cb 0.49 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1szb n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1szb n GLY 19 N 2.06 0.55 3.76 -1.23 0.00 -1.26 -4.21 105.19 104.86 1szb n GLY 19 Ca 0.11 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1szb n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1szb s PHE 20 N -1.77 2.43 -1.17 1.61 5.36 -0.71 0.52 117.98 124.25 1szb s PHE 20 Ca 0.00 1.29 0.06 0.00 -0.96 0.00 0.00 56.93 57.32 1szb s PHE 20 Cb 0.00 -3.89 0.27 0.00 -0.34 0.00 0.00 43.02 39.06 1szb s PHE 20 CO 0.00 -2.91 1.02 -0.35 -1.46 0.00 0.00 175.22 171.52 1szb n PRO 21 N -0.37 2.10 -0.37 10.12 -0.04 -1.26 -5.04 135.00 140.14 1szb n PRO 21 Ca 0.06 -1.04 -0.03 0.00 -0.04 0.00 0.00 63.50 62.46 1szb n PRO 21 Cb 0.42 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 1szb n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1szb n GLY 22 N 0.45 -0.67 3.73 0.55 0.00 0.18 -4.70 105.19 104.74 1szb n GLY 22 Ca 0.09 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1szb n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1szb s GLU 23 N -3.15 4.46 0.05 1.61 2.12 -1.26 -4.35 118.70 118.18 1szb s GLU 23 Ca 0.08 1.85 -0.29 0.00 0.36 0.00 0.00 54.97 56.97 1szb s GLU 23 Cb -0.00 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1szb s GLU 23 CO 0.05 -0.17 0.92 1.52 -0.54 0.00 0.00 175.26 177.04 1szb s TYR 24 N 0.44 3.73 1.01 5.30 -0.85 -1.17 -4.82 117.35 120.99 1szb s TYR 24 Ca 0.56 1.68 -0.16 0.00 -0.52 0.00 0.00 57.07 58.63 1szb s TYR 24 Cb -0.32 -3.03 0.03 0.00 0.38 0.00 0.00 41.96 39.02 1szb s TYR 24 CO 0.33 0.13 0.04 0.00 -1.52 0.00 0.00 175.55 174.53 1szb n ALA 25 N 3.24 -3.60 -1.99 9.51 0.00 -1.26 -4.99 120.51 121.42 1szb n ALA 25 Ca 0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 53.44 52.36 1szb n ALA 25 Cb 0.50 -1.58 0.04 0.00 0.00 0.00 0.00 19.45 18.41 1szb n ALA 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1szb s ASN 26 N -1.80 5.20 -1.69 0.00 -0.87 -1.26 -4.46 114.94 110.07 1szb s ASN 26 Ca 0.54 0.17 -0.11 0.00 -1.57 0.00 0.00 52.86 51.88 1szb s ASN 26 Cb -0.16 -1.02 0.11 0.00 -0.02 0.00 0.00 41.25 40.16 1szb s ASN 26 CO 0.69 -1.24 0.36 -0.90 -2.57 0.00 0.00 177.10 173.44 1szb n ASP 27 N -2.50 -0.71 -4.55 -1.22 5.75 0.15 -4.95 116.55 108.52 1szb n ASP 27 Ca 0.07 -1.22 -0.34 0.00 -0.01 0.00 0.00 54.79 53.30 1szb n ASP 27 Cb 0.60 -1.85 -0.12 0.00 -1.03 0.00 0.00 41.12 38.72 1szb n ASP 27 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1szb s GLN 28 N -7.21 2.96 -0.16 0.11 -1.52 -0.88 -4.91 119.66 108.04 1szb s GLN 28 Ca 0.41 -0.55 -0.04 0.00 -1.95 0.00 0.00 55.36 53.23 1szb s GLN 28 Cb -0.24 -2.65 0.06 0.00 -0.22 0.00 0.00 33.01 29.96 1szb s GLN 28 CO 0.99 0.56 0.07 -2.00 -0.25 0.00 0.00 175.29 174.66 1szb s GLU 29 N -0.52 0.24 -0.02 2.91 2.12 -1.25 0.10 118.70 122.28 1szb s GLU 29 Ca 0.08 -0.13 0.05 0.00 0.36 0.00 0.00 54.97 55.33 1szb s GLU 29 Cb -0.12 -1.77 -0.01 0.00 0.26 0.00 0.00 34.13 32.49 1szb s GLU 29 CO 0.02 -0.62 -0.16 1.03 -0.54 0.00 0.00 175.26 174.99 1szb s ARG 30 N 2.06 1.38 0.01 4.30 0.52 0.05 -4.97 118.95 122.28 1szb s ARG 30 Ca 0.02 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 54.70 1szb s ARG 30 Cb -0.16 -1.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 1szb s ARG 30 CO -0.08 0.34 -0.19 1.03 0.02 0.00 0.00 175.30 176.42 1szb s ARG 31 N -0.33 1.47 0.05 3.54 0.52 -1.26 0.37 118.95 123.31 1szb s ARG 31 Ca 0.05 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1szb s ARG 31 Cb -0.07 -1.47 -0.03 0.00 0.52 0.00 0.00 34.95 33.90 1szb s ARG 31 CO -0.00 0.39 -0.24 -1.58 0.02 0.00 0.00 175.30 173.89 1szb s TRP 32 N -0.57 2.38 -0.26 -0.53 0.51 0.28 -4.94 118.94 115.81 1szb s TRP 32 Ca 0.07 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.68 1szb s TRP 32 Cb -0.08 -1.40 0.04 0.00 -0.81 0.00 0.00 33.47 31.23 1szb s TRP 32 CO 0.00 0.17 -0.08 0.99 -0.51 0.00 0.00 176.95 177.52 1szb s THR 33 N -0.85 2.54 -0.20 2.01 2.01 -1.26 -0.27 115.64 119.61 1szb s THR 33 Ca 0.13 -1.35 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 1szb s THR 33 Cb -0.10 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1szb s THR 33 CO 0.03 0.07 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.21 1szb s LEU 34 N 1.21 2.88 -0.09 4.42 1.43 0.37 -4.98 118.68 123.93 1szb s LEU 34 Ca -0.04 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1szb s LEU 34 Cb -0.18 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1szb s LEU 34 CO -0.05 0.02 0.22 -0.89 0.23 0.00 0.00 176.35 175.89 1szb s THR 35 N 1.23 -0.02 0.47 5.49 2.01 -1.26 0.47 115.64 124.03 1szb s THR 35 Ca 0.03 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1szb s THR 35 Cb -0.14 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1szb s THR 35 CO -0.02 0.03 0.12 0.00 -0.69 0.00 0.00 174.62 174.06 1szb s ALA 36 N 0.69 3.81 1.04 7.40 0.00 -1.02 -4.62 121.76 129.07 1szb s ALA 36 Ca -0.05 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 1szb s ALA 36 Cb -0.06 -0.18 0.22 0.00 0.00 0.00 0.00 23.12 23.10 1szb s ALA 36 CO -0.04 -0.15 1.09 -2.14 0.00 0.00 0.00 175.76 174.51 1szb s PRO 37 N -3.91 0.01 0.41 0.00 0.02 -1.26 -4.90 135.00 125.37 1szb s PRO 37 Ca 0.27 1.21 -0.26 0.00 0.02 0.00 0.00 61.00 62.24 1szb s PRO 37 Cb 0.04 -1.64 -0.10 0.00 0.02 0.00 0.00 34.50 32.82 1szb s PRO 37 CO 0.15 -3.21 1.23 -2.30 -0.33 0.00 0.00 177.00 172.54 1szb n PRO 38 N -4.60 1.86 0.00 5.54 -0.02 -1.26 -3.19 135.00 133.33 1szb n PRO 38 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1szb n PRO 38 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1szb n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1szb n GLY 39 N 0.87 2.04 3.38 -1.23 0.00 -1.26 -4.79 105.19 104.20 1szb n GLY 39 Ca 0.07 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1szb n GLY 39 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1szb n TYR 40 N 0.00 -1.31 -4.16 1.61 4.01 -1.19 -3.82 117.16 112.29 1szb n TYR 40 Ca 0.00 0.19 -0.11 0.00 -0.16 0.00 0.00 57.90 57.81 1szb n TYR 40 Cb 0.00 -1.71 -0.09 0.00 -0.31 0.00 0.00 39.34 37.23 1szb n TYR 40 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1szb s ARG 41 N -3.66 1.24 -0.08 -0.72 1.70 0.07 -4.24 118.95 113.27 1szb s ARG 41 Ca 0.58 -1.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.30 1szb s ARG 41 Cb -0.18 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.47 1szb s ARG 41 CO 0.66 -0.43 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.87 1szb s LEU 42 N -3.13 3.07 -0.13 -1.89 1.43 -1.26 -0.14 118.68 116.63 1szb s LEU 42 Ca 0.35 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1szb s LEU 42 Cb 0.06 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1szb s LEU 42 CO 0.11 0.33 -0.12 -0.60 0.23 0.00 0.00 176.35 176.30 1szb s ARG 43 N -0.59 3.36 0.02 1.70 3.52 0.63 -1.31 118.95 126.28 1szb s ARG 43 Ca 0.09 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1szb s ARG 43 Cb -0.12 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 1szb s ARG 43 CO 0.02 0.25 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.55 1szb s LEU 44 N 0.26 2.15 0.09 -0.88 0.20 0.48 -0.40 118.68 120.57 1szb s LEU 44 Ca -0.08 -0.32 -0.16 0.00 0.69 0.00 0.00 54.13 54.25 1szb s LEU 44 Cb -0.15 -0.08 0.03 0.00 -0.43 0.00 0.00 46.19 45.56 1szb s LEU 44 CO 0.05 -0.13 0.38 -0.72 -0.29 0.00 0.00 176.35 175.64 1szb s TYR 45 N -0.84 -0.19 -0.13 5.38 1.13 -0.29 -0.87 117.35 121.54 1szb s TYR 45 Ca -0.07 -0.03 -0.05 0.00 -1.41 0.00 0.00 57.07 55.51 1szb s TYR 45 Cb -0.06 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1szb s TYR 45 CO -0.00 -0.63 0.05 -0.06 -2.51 0.00 0.00 175.55 172.40 1szb s PHE 46 N -3.26 3.29 -0.12 -3.49 0.40 -1.26 -1.08 117.98 112.46 1szb s PHE 46 Ca -0.00 0.20 0.22 0.00 -0.60 0.00 0.00 56.93 56.75 1szb s PHE 46 Cb 0.01 -1.94 -0.24 0.00 0.51 0.00 0.00 43.02 41.37 1szb s PHE 46 CO -0.08 0.39 0.66 0.25 0.70 0.00 0.00 175.22 177.13 1szb n THR 47 N 2.70 0.17 -3.70 0.64 -2.24 -0.85 -4.80 114.28 106.20 1szb n THR 47 Ca -0.18 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1szb n THR 47 Cb 0.53 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 1szb n THR 47 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1szb s HIS 48 N -3.46 -0.50 -0.22 4.78 5.65 -1.20 -4.98 115.29 115.37 1szb s HIS 48 Ca -0.05 1.08 -0.03 0.00 0.25 0.00 0.00 55.06 56.31 1szb s HIS 48 Cb 0.13 0.16 0.10 0.00 -1.18 0.00 0.00 32.58 31.79 1szb s HIS 48 CO 0.87 -0.31 0.23 0.12 -0.65 0.00 0.00 174.74 175.00 1szb s PHE 49 N 1.50 -0.28 -0.37 3.88 2.19 -1.26 -1.18 117.98 122.45 1szb s PHE 49 Ca -0.08 0.11 0.02 0.00 0.33 0.00 0.00 56.93 57.30 1szb s PHE 49 Cb -0.10 -0.40 0.15 0.00 -1.31 0.00 0.00 43.02 41.36 1szb s PHE 49 CO -0.11 -0.67 0.28 0.34 1.83 0.00 0.00 175.22 176.89 1szb s ASP 50 N 2.32 2.23 0.26 6.13 2.15 0.29 -4.62 116.67 125.43 1szb s ASP 50 Ca 0.07 -2.26 0.09 0.00 0.43 0.00 0.00 52.55 50.88 1szb s ASP 50 Cb -0.15 -0.19 -0.05 0.00 -0.30 0.00 0.00 42.92 42.22 1szb s ASP 50 CO -0.17 -0.27 -0.13 -0.76 -0.17 0.00 0.00 175.17 173.68 1szb s LEU 51 N 0.91 2.56 0.30 -1.34 1.43 -0.95 -0.97 118.68 120.62 1szb s LEU 51 Ca 0.21 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 1szb s LEU 51 Cb -0.16 -0.81 -0.12 0.00 0.03 0.00 0.00 46.19 45.14 1szb s LEU 51 CO -0.04 -0.16 1.57 1.21 0.23 0.00 0.00 176.35 179.15 1szb n GLU 52 N -0.54 2.64 -3.07 1.70 2.13 -1.26 -1.96 120.64 120.28 1szb n GLU 52 Ca -0.06 0.94 -0.32 0.00 0.66 0.00 0.00 57.16 58.37 1szb n GLU 52 Cb 0.61 -2.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 1szb n GLU 52 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1szb s LEU 53 N -0.58 4.02 -0.18 4.31 2.96 -1.26 -3.38 118.68 124.56 1szb s LEU 53 Ca 0.63 1.29 -0.30 0.00 -0.22 0.00 0.00 54.13 55.53 1szb s LEU 53 Cb -0.51 -4.11 0.14 0.00 0.50 0.00 0.00 46.19 42.22 1szb s LEU 53 CO 0.50 -0.25 1.09 -0.94 -1.32 0.00 0.00 176.35 175.44 1szb s SER 54 N -2.40 -0.27 -0.08 3.68 1.04 -1.26 -4.95 113.70 109.47 1szb s SER 54 Ca 0.54 0.25 -0.29 0.00 0.48 0.00 0.00 55.95 56.93 1szb s SER 54 Cb -0.10 0.23 -0.07 0.00 0.10 0.00 0.00 66.02 66.18 1szb s SER 54 CO 0.19 -0.28 1.92 -2.28 0.98 0.00 0.00 173.24 173.77 1szb s HIS 55 N -1.36 1.48 -1.18 5.02 2.46 -1.26 -0.98 115.29 119.46 1szb s HIS 55 Ca 0.02 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.57 1szb s HIS 55 Cb -0.01 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.36 1szb s HIS 55 CO -0.02 -4.57 0.00 1.28 -2.47 0.00 0.00 174.74 168.96 1szb n LEU 56 N 8.57 -1.14 -3.83 8.88 4.77 -1.25 -3.28 117.00 129.72 1szb n LEU 56 Ca 0.22 0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 56.00 1szb n LEU 56 Cb 0.43 -1.88 0.03 0.00 -2.33 0.00 0.00 43.42 39.67 1szb n LEU 56 CO 0.66 -0.44 -0.11 0.00 -1.33 0.00 0.00 177.39 176.18 1szb h GLU 58 N -2.10 0.36 0.00 0.00 4.81 -1.74 -3.43 114.58 112.48 1szb h GLU 58 Ca -0.67 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 57.94 1szb h GLU 58 Cb 1.38 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1szb h GLU 58 CO 0.49 1.29 0.00 0.66 -0.73 0.00 0.00 179.01 180.72 1szb n TYR 59 N -3.88 0.00 -4.12 0.92 4.01 -1.26 -4.92 117.16 107.92 1szb n TYR 59 Ca -0.20 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.24 1szb n TYR 59 Cb 0.96 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 39.58 1szb n TYR 59 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1szb s ASP 60 N -2.26 5.07 0.16 7.72 1.01 -1.26 -3.80 116.67 123.30 1szb s ASP 60 Ca 0.00 -0.16 -0.25 0.00 0.71 0.00 0.00 52.55 52.85 1szb s ASP 60 Cb 0.00 -1.22 0.06 0.00 1.01 0.00 0.00 42.92 42.77 1szb s ASP 60 CO 0.00 0.17 0.92 0.72 0.21 0.00 0.00 175.17 177.19 1szb s PHE 61 N -1.32 -0.16 -0.21 4.23 -0.12 -0.51 -4.78 117.98 115.11 1szb s PHE 61 Ca 0.26 -0.15 -0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1szb s PHE 61 Cb -0.12 0.64 0.06 0.00 -0.63 0.00 0.00 43.02 42.98 1szb s PHE 61 CO 0.19 -0.86 0.04 0.08 -0.05 0.00 0.00 175.22 174.62 1szb s VAL 62 N -3.36 0.58 -0.16 -2.49 1.01 -0.66 -2.12 120.40 113.21 1szb s VAL 62 Ca 0.11 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1szb s VAL 62 Cb -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1szb s VAL 62 CO 0.02 -0.25 0.03 -0.75 0.00 0.00 0.00 175.10 174.15 1szb s LYS 63 N 1.83 3.72 -0.27 2.72 2.20 -0.61 -0.73 119.74 128.60 1szb s LYS 63 Ca -0.00 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1szb s LYS 63 Cb -0.17 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1szb s LYS 63 CO -0.10 0.36 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.68 1szb s LEU 64 N 0.09 3.46 0.15 5.43 1.43 -0.19 -2.21 118.68 126.83 1szb s LEU 64 Ca 0.04 -1.19 0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1szb s LEU 64 Cb -0.13 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1szb s LEU 64 CO 0.01 -0.19 -0.22 -0.94 0.23 0.00 0.00 176.35 175.24 1szb s SER 65 N 1.22 2.97 -0.28 2.29 1.04 -1.11 -0.26 113.70 119.57 1szb s SER 65 Ca -0.05 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1szb s SER 65 Cb -0.19 -0.19 0.09 0.00 0.10 0.00 0.00 66.02 65.83 1szb s SER 65 CO -0.04 0.07 0.07 -0.55 0.98 0.00 0.00 173.24 173.78 1szb s SER 66 N -2.34 3.78 1.37 7.02 0.15 -0.57 -2.43 113.70 120.68 1szb s SER 66 Ca 0.14 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1szb s SER 66 Cb -0.08 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1szb s SER 66 CO 0.07 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1szb n GLY 67 N 4.88 1.62 0.18 9.45 0.00 -1.26 -3.12 105.19 116.94 1szb n GLY 67 Ca -0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1szb n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1szb n ALA 68 N 8.25 1.35 -1.72 4.61 0.00 -1.26 -4.94 120.51 126.80 1szb n ALA 68 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 1szb n ALA 68 Cb 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1szb n ALA 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1szb s LYS 69 N -2.48 4.14 -0.46 0.00 2.47 -1.18 -4.94 119.74 117.29 1szb s LYS 69 Ca -0.36 2.59 -0.27 0.00 -1.56 0.00 0.00 55.97 56.38 1szb s LYS 69 Cb 0.13 -3.60 0.03 0.00 -1.46 0.00 0.00 37.83 32.92 1szb s LYS 69 CO 0.48 -0.84 0.99 0.08 0.16 0.00 0.00 175.35 176.22 1szb s VAL 70 N 2.76 4.41 0.16 4.02 1.01 -1.26 -1.52 120.40 129.98 1szb s VAL 70 Ca 0.81 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 1szb s VAL 70 Cb -0.46 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.48 1szb s VAL 70 CO 0.36 -0.86 1.78 -0.07 0.00 0.00 0.00 175.10 176.32 1szb h LEU 71 N 10.70 0.56 -7.00 3.92 3.38 -0.96 -3.48 115.31 122.44 1szb h LEU 71 Ca -0.24 -0.06 0.27 0.00 0.09 0.00 0.00 57.88 57.94 1szb h LEU 71 Cb 1.07 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 41.45 1szb h LEU 71 CO 1.05 0.46 0.90 0.00 0.09 0.00 0.00 178.44 180.94 1szb s ALA 72 N -5.97 -2.12 -0.04 1.53 0.00 -0.84 -5.02 121.76 109.30 1szb s ALA 72 Ca -0.13 1.81 0.06 0.00 0.00 0.00 0.00 51.96 53.69 1szb s ALA 72 Cb 0.11 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1szb s ALA 72 CO 0.74 -0.44 -0.21 0.99 0.00 0.00 0.00 175.76 176.85 1szb s THR 73 N -1.72 2.48 0.04 0.00 2.01 -1.26 -1.02 115.64 116.17 1szb s THR 73 Ca 0.09 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1szb s THR 73 Cb -0.01 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1szb s THR 73 CO -0.05 0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.61 1szb s LEU 74 N -0.52 2.21 0.07 4.42 1.43 0.09 -4.34 118.68 122.05 1szb s LEU 74 Ca 0.07 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1szb s LEU 74 Cb -0.11 -0.30 0.09 0.00 0.03 0.00 0.00 46.19 45.90 1szb s LEU 74 CO 0.01 -0.11 1.12 0.00 0.23 0.00 0.00 176.35 177.60 1szb n GLY 76 N -0.50 -1.77 0.02 0.00 0.00 -0.83 -4.45 105.19 97.66 1szb n GLY 76 Ca -0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 1szb n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1szb n GLN 77 N 0.00 3.08 -4.51 1.61 3.00 -1.26 -2.24 117.38 117.06 1szb n GLN 77 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 1szb n GLN 77 Cb 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 30.24 29.06 1szb n GLN 77 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1szb s GLU 78 N -2.07 1.78 -0.04 -1.09 0.41 -1.26 -4.92 118.70 111.50 1szb s GLU 78 Ca -0.02 -2.01 -0.04 0.00 -0.41 0.00 0.00 54.97 52.50 1szb s GLU 78 Cb 0.01 -1.07 -0.04 0.00 -1.78 0.00 0.00 34.13 31.25 1szb s GLU 78 CO 0.12 -0.18 0.15 -1.12 -0.49 0.00 0.00 175.26 173.73 1szb s SER 79 N -3.57 6.23 0.00 -0.19 0.01 -1.26 -4.39 113.70 110.54 1szb s SER 79 Ca 0.34 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1szb s SER 79 Cb 0.08 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1szb s SER 79 CO 0.15 0.31 0.00 0.35 0.41 0.00 0.00 173.24 174.46 1szb n THR 80 N 1.31 0.00 -3.30 1.44 -2.24 0.19 -4.96 114.28 106.72 1szb n THR 80 Ca -0.14 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 1szb n THR 80 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 1szb n THR 80 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1szb s ASP 81 N 1.00 6.94 -1.41 3.42 1.01 -1.26 -3.85 116.67 122.53 1szb s ASP 81 Ca 0.00 1.12 0.00 0.00 0.71 0.00 0.00 52.55 54.38 1szb s ASP 81 Cb 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1szb s ASP 81 CO 0.00 0.20 0.00 0.35 0.21 0.00 0.00 175.17 175.93 1szb n THR 82 N 2.29 0.00 -3.50 -1.27 -2.24 -1.26 -4.91 114.28 103.38 1szb n THR 82 Ca -0.09 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.41 1szb n THR 82 Cb 0.51 -1.50 -0.14 0.00 -2.10 0.00 0.00 70.33 67.10 1szb n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1szb s GLU 83 N -3.05 0.29 0.01 -0.78 8.01 -1.25 -3.81 118.70 118.12 1szb s GLU 83 Ca 0.00 -0.65 -0.19 0.00 0.01 0.00 0.00 54.97 54.13 1szb s GLU 83 Cb 0.00 -1.11 -0.06 0.00 -4.31 0.00 0.00 34.13 28.65 1szb s GLU 83 CO 0.00 -1.06 0.56 0.50 0.01 0.00 0.00 175.26 175.26 1szb s ARG 84 N 1.91 4.24 -0.08 1.61 3.52 -1.26 -0.64 118.95 128.24 1szb s ARG 84 Ca 0.11 0.68 0.03 0.00 -0.13 0.00 0.00 55.73 56.41 1szb s ARG 84 Cb -0.17 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1szb s ARG 84 CO -0.28 0.47 -0.17 0.00 -0.81 0.00 0.00 175.30 174.51 1szb s ALA 85 N -0.50 2.50 0.15 6.12 0.00 -1.26 -2.98 121.76 125.79 1szb s ALA 85 Ca 0.29 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 1szb s ALA 85 Cb -0.18 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1szb s ALA 85 CO 0.17 0.39 1.57 -1.35 0.00 0.00 0.00 175.76 176.54 1szb h PRO 86 N 6.10 -0.30 0.00 0.00 0.11 -1.92 -3.45 132.00 132.55 1szb h PRO 86 Ca -0.34 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1szb h PRO 86 Cb 1.19 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1szb h PRO 86 CO 0.51 -0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 1szb n GLY 87 N -1.40 1.50 0.81 -0.55 0.00 -1.26 -2.79 105.19 101.49 1szb n GLY 87 Ca -0.00 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.43 1szb n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1szb n LYS 88 N 12.04 1.80 -1.00 1.61 5.02 -1.26 -4.67 118.16 131.70 1szb n LYS 88 Ca 0.00 -1.75 -0.34 0.00 -2.02 0.00 0.00 58.31 54.20 1szb n LYS 88 Cb 0.00 -1.38 0.10 0.00 -0.02 0.00 0.00 35.03 33.73 1szb n LYS 88 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1szb n ASP 89 N 1.09 -1.79 -4.63 4.39 9.92 -1.12 -4.91 116.55 119.50 1szb n ASP 89 Ca 0.12 0.43 -0.32 0.00 -0.53 0.00 0.00 54.79 54.50 1szb n ASP 89 Cb 0.48 -1.20 -0.10 0.00 -0.64 0.00 0.00 41.12 39.67 1szb n ASP 89 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1szb s THR 90 N -2.18 3.81 -0.02 -3.53 2.01 -1.26 -4.59 115.64 109.87 1szb s THR 90 Ca 0.60 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.85 1szb s THR 90 Cb -0.27 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1szb s THR 90 CO 0.64 0.31 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.28 1szb s PHE 91 N -1.10 2.13 0.06 4.92 0.40 -0.05 -4.99 117.98 119.36 1szb s PHE 91 Ca 0.20 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1szb s PHE 91 Cb -0.11 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1szb s PHE 91 CO 0.11 -0.03 -0.19 0.71 0.70 0.00 0.00 175.22 176.52 1szb s TYR 92 N -0.57 1.61 -0.02 0.36 2.02 -1.26 -0.38 117.35 119.11 1szb s TYR 92 Ca 0.09 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.12 1szb s TYR 92 Cb -0.09 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1szb s TYR 92 CO -0.01 0.11 0.90 -1.54 -1.57 0.00 0.00 175.55 173.44 1szb s SER 93 N -1.46 7.26 -0.57 2.29 1.04 -0.43 -4.95 113.70 116.87 1szb s SER 93 Ca 0.05 1.52 -0.27 0.00 0.48 0.00 0.00 55.95 57.73 1szb s SER 93 Cb -0.09 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 1szb s SER 93 CO 0.02 -0.22 1.71 -0.76 0.98 0.00 0.00 173.24 174.98 1szb s LEU 94 N 0.95 3.33 0.00 2.42 1.43 -1.26 -4.56 118.68 120.99 1szb s LEU 94 Ca 0.48 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1szb s LEU 94 Cb -0.20 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1szb s LEU 94 CO 0.25 -2.10 0.00 0.61 0.23 0.00 0.00 176.35 175.34 1szb n GLY 95 N 5.54 -0.83 1.46 -3.19 0.00 -1.26 -4.31 105.19 102.60 1szb n GLY 95 Ca 0.18 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.66 1szb n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1szb n SER 96 N 0.21 4.29 -4.26 1.61 2.88 -1.26 -4.26 113.62 112.83 1szb n SER 96 Ca 0.00 -2.20 -0.29 0.00 -1.33 0.00 0.00 58.87 55.05 1szb n SER 96 Cb 0.00 -0.53 -0.16 0.00 -0.75 0.00 0.00 64.21 62.77 1szb n SER 96 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1szb s SER 97 N -0.95 2.71 -0.26 -3.46 0.15 -1.26 -2.42 113.70 108.21 1szb s SER 97 Ca 0.50 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.63 1szb s SER 97 Cb 0.29 -0.30 0.11 0.00 -1.71 0.00 0.00 66.02 64.41 1szb s SER 97 CO 0.29 0.28 0.56 -0.22 1.20 0.00 0.00 173.24 175.35 1szb s LEU 98 N -0.59 -0.89 0.05 3.45 2.96 0.18 -4.34 118.68 119.49 1szb s LEU 98 Ca 0.09 1.33 0.07 0.00 -0.22 0.00 0.00 54.13 55.40 1szb s LEU 98 Cb -0.09 1.94 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 1szb s LEU 98 CO -0.01 -0.22 -0.20 1.51 -1.32 0.00 0.00 176.35 176.11 1szb s ASP 99 N 2.55 2.41 0.13 3.68 -4.77 -1.02 0.14 116.67 119.80 1szb s ASP 99 Ca -0.05 -0.53 0.10 0.00 -3.30 0.00 0.00 52.55 48.77 1szb s ASP 99 Cb -0.11 -0.19 -0.04 0.00 -1.09 0.00 0.00 42.92 41.49 1szb s ASP 99 CO -0.17 0.14 -0.24 -0.63 0.70 0.00 0.00 175.17 174.98 1szb s ILE 100 N -0.83 2.48 -0.03 2.11 1.09 0.62 -2.76 121.20 123.88 1szb s ILE 100 Ca 0.07 -1.69 0.00 0.00 -1.10 0.00 0.00 60.65 57.93 1szb s ILE 100 Cb -0.09 -2.12 0.03 0.00 -1.06 0.00 0.00 42.46 39.22 1szb s ILE 100 CO 0.02 0.07 0.01 -0.89 -0.10 0.00 0.00 174.94 174.06 1szb s THR 101 N -1.14 0.10 -0.22 2.92 2.01 -0.94 1.00 115.64 119.36 1szb s THR 101 Ca 0.16 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1szb s THR 101 Cb -0.10 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.23 1szb s THR 101 CO 0.08 0.14 -0.15 0.12 -0.69 0.00 0.00 174.62 174.12 1szb s PHE 102 N 1.15 3.05 -0.10 4.92 5.36 0.16 -1.58 117.98 130.94 1szb s PHE 102 Ca -0.08 -2.01 0.03 0.00 -0.96 0.00 0.00 56.93 53.92 1szb s PHE 102 Cb -0.13 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1szb s PHE 102 CO -0.02 -0.84 -0.21 0.50 -1.46 0.00 0.00 175.22 173.18 1szb s ARG 103 N 1.19 2.75 -0.07 10.12 3.00 -0.90 -0.77 118.95 134.27 1szb s ARG 103 Ca -0.03 -0.77 0.04 0.00 -1.00 0.00 0.00 55.73 53.97 1szb s ARG 103 Cb -0.17 -2.15 -0.02 0.00 0.00 0.00 0.00 34.95 32.62 1szb s ARG 103 CO -0.08 0.10 -0.19 -1.54 0.00 0.00 0.00 175.30 173.59 1szb s SER 104 N 0.54 3.61 0.73 -2.12 1.04 0.28 -1.43 113.70 116.36 1szb s SER 104 Ca -0.15 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1szb s SER 104 Cb -0.17 -1.01 0.06 0.00 0.10 0.00 0.00 66.02 65.00 1szb s SER 104 CO 0.05 0.26 0.37 -0.90 0.98 0.00 0.00 173.24 174.00 1szb n ASP 105 N 2.86 0.24 -0.33 7.02 5.75 -1.25 -2.08 116.55 128.77 1szb n ASP 105 Ca -0.17 -1.26 0.13 0.00 -0.01 0.00 0.00 54.79 53.47 1szb n ASP 105 Cb 0.52 -0.26 0.26 0.00 -1.03 0.00 0.00 41.12 40.61 1szb n ASP 105 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1szb h TYR 106 N -0.83 -0.04 -3.84 2.11 3.20 -1.94 0.45 116.97 116.09 1szb h TYR 106 Ca -0.12 0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.65 1szb h TYR 106 Cb 0.38 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.75 1szb h TYR 106 CO 0.00 -0.39 -0.12 -1.54 -1.64 0.00 0.00 178.16 174.47 1szb s SER 107 N -5.06 0.44 -0.01 -2.11 1.04 -1.26 -4.43 113.70 102.31 1szb s SER 107 Ca -0.13 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.05 1szb s SER 107 Cb 0.28 0.65 0.01 0.00 0.10 0.00 0.00 66.02 67.06 1szb s SER 107 CO 0.77 -1.28 -0.02 0.20 0.98 0.00 0.00 173.24 173.90 1szb s ASN 108 N -3.14 0.37 -0.00 7.02 -0.87 -1.26 -5.04 114.94 112.02 1szb s ASN 108 Ca 0.26 -0.04 -0.02 0.00 -1.57 0.00 0.00 52.86 51.49 1szb s ASN 108 Cb -0.01 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.25 41.09 1szb s ASN 108 CO 0.15 -0.02 0.62 -0.33 -2.57 0.00 0.00 177.10 174.95 1szb h GLU 109 N 6.57 -0.07 -6.78 -0.60 4.39 -2.02 -3.45 114.58 112.62 1szb h GLU 109 Ca -0.33 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.88 1szb h GLU 109 Cb 1.17 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1szb h GLU 109 CO 0.49 -0.05 0.03 0.21 -1.16 0.00 0.00 179.01 178.54 1szb s LYS 110 N -2.36 3.61 -1.10 2.33 2.20 -1.26 -5.00 119.74 118.16 1szb s LYS 110 Ca -0.01 0.17 -0.22 0.00 -0.36 0.00 0.00 55.97 55.55 1szb s LYS 110 Cb 0.00 -2.46 0.03 0.00 -1.51 0.00 0.00 37.83 33.89 1szb s LYS 110 CO 0.03 -0.04 1.65 -2.14 -0.36 0.00 0.00 175.35 174.49 1szb s PRO 111 N -4.24 3.46 0.08 4.03 0.02 -1.26 -4.98 135.00 132.10 1szb s PRO 111 Ca 0.47 -1.25 -0.30 0.00 0.02 0.00 0.00 61.00 59.93 1szb s PRO 111 Cb -0.10 -5.36 -0.05 0.00 0.02 0.00 0.00 34.50 29.01 1szb s PRO 111 CO 0.38 -2.55 1.10 -0.06 -0.33 0.00 0.00 177.00 175.53 1szb s PHE 112 N 6.03 3.57 -1.70 6.54 0.08 -1.26 -4.85 117.98 126.39 1szb s PHE 112 Ca 0.54 1.52 0.31 0.00 0.12 0.00 0.00 56.93 59.42 1szb s PHE 112 Cb 0.00 -3.27 1.66 0.00 -0.57 0.00 0.00 43.02 40.84 1szb s PHE 112 CO -0.02 -0.65 2.11 0.25 -0.10 0.00 0.00 175.22 176.82 1szb n THR 113 N 3.45 0.00 -3.26 0.64 -2.24 -1.21 -3.05 114.28 108.61 1szb n THR 113 Ca 0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1szb n THR 113 Cb 0.48 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1szb n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1szb n GLY 114 N 1.16 0.36 3.40 3.38 0.00 -0.14 -4.42 105.19 108.93 1szb n GLY 114 Ca 0.18 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1szb n GLY 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1szb s PHE 115 N 0.00 0.05 -0.01 1.61 -0.71 -1.26 0.11 117.98 117.77 1szb s PHE 115 Ca 0.00 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 55.49 1szb s PHE 115 Cb 0.00 0.19 0.01 0.00 -1.21 0.00 0.00 43.02 42.01 1szb s PHE 115 CO 0.00 -0.78 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.09 1szb s GLU 116 N -3.89 0.21 0.08 1.99 2.12 -0.32 -1.05 118.70 117.83 1szb s GLU 116 Ca 0.10 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.45 1szb s GLU 116 Cb 0.01 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 1szb s GLU 116 CO -0.04 -0.05 -0.05 0.00 -0.54 0.00 0.00 175.26 174.58 1szb s ALA 117 N 0.50 0.77 0.04 6.30 0.00 0.19 -2.01 121.76 127.54 1szb s ALA 117 Ca -0.05 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1szb s ALA 117 Cb -0.07 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1szb s ALA 117 CO -0.01 -0.26 -0.09 -0.06 0.00 0.00 0.00 175.76 175.34 1szb s PHE 118 N -3.47 0.80 0.05 0.00 0.40 -0.24 -0.75 117.98 114.77 1szb s PHE 118 Ca 0.08 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1szb s PHE 118 Cb 0.04 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 1szb s PHE 118 CO -0.06 -0.04 0.03 1.52 0.70 0.00 0.00 175.22 177.37 1szb s TYR 119 N -1.09 0.37 -0.12 0.36 -0.85 -0.82 -1.14 117.35 114.07 1szb s TYR 119 Ca -0.05 -0.82 -0.22 0.00 -0.52 0.00 0.00 57.07 55.45 1szb s TYR 119 Cb -0.08 -0.27 0.05 0.00 0.38 0.00 0.00 41.96 42.04 1szb s TYR 119 CO 0.01 -0.38 0.55 0.00 -1.52 0.00 0.00 175.55 174.21 1szb s ALA 120 N -3.34 -1.39 0.39 9.51 0.00 0.46 -1.54 121.76 125.85 1szb s ALA 120 Ca 0.01 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 1szb s ALA 120 Cb 0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 1szb s ALA 120 CO -0.08 -0.30 0.83 0.00 0.00 0.00 0.00 175.76 176.21 1szb s ALA 121 N -0.55 3.21 -0.14 0.00 0.00 0.16 -0.27 121.76 124.18 1szb s ALA 121 Ca -0.07 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1szb s ALA 121 Cb -0.03 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1szb s ALA 121 CO 0.05 0.16 0.38 -1.83 0.00 0.00 0.00 175.76 174.51 1szb s GLU 122 N -3.30 0.46 0.42 0.00 -1.05 0.80 -4.90 118.70 111.12 1szb s GLU 122 Ca 0.57 0.49 -0.26 0.00 -0.15 0.00 0.00 54.97 55.62 1szb s GLU 122 Cb -0.10 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.72 1szb s GLU 122 CO 0.20 -0.06 1.38 0.34 0.95 0.00 0.00 175.26 178.07 1szb s ASP 123 N 0.12 6.15 0.10 0.83 2.15 -1.26 -0.75 116.67 124.01 1szb s ASP 123 Ca -0.01 2.83 -0.15 0.00 0.43 0.00 0.00 52.55 55.65 1szb s ASP 123 Cb -0.03 -2.65 -0.07 0.00 -0.30 0.00 0.00 42.92 39.88 1szb s ASP 123 CO 0.01 -0.98 0.51 -0.63 -0.17 0.00 0.00 175.17 173.91 1szb s ILE 124 N -1.21 4.88 -1.01 4.11 1.01 -1.25 -4.83 121.20 122.90 1szb s ILE 124 Ca 0.58 0.89 -0.08 0.00 0.00 0.00 0.00 60.65 62.03 1szb s ILE 124 Cb -0.42 -3.76 0.25 0.00 0.01 0.00 0.00 42.46 38.54 1szb s ILE 124 CO 0.54 0.38 0.97 -0.62 0.00 0.00 0.00 174.94 176.22 1szb s ASP 125 N -1.46 6.90 0.03 3.58 -1.08 -1.26 -4.82 116.67 118.55 1szb s ASP 125 Ca 0.33 -3.46 0.05 0.00 -0.52 0.00 0.00 52.55 48.94 1szb s ASP 125 Cb -0.16 -2.14 0.22 0.00 -1.46 0.00 0.00 42.92 39.39 1szb s ASP 125 CO 0.18 -0.31 1.15 -1.84 0.52 0.00 0.00 175.17 174.87 1szb n GLU 126 N 2.84 0.01 0.16 4.34 0.00 -1.26 0.67 120.64 127.41 1szb n GLU 126 Ca 0.21 0.46 0.13 0.00 0.00 0.00 0.00 57.16 57.96 1szb n GLU 126 Cb 0.40 -1.54 0.45 0.00 0.00 0.00 0.00 31.44 30.75 1szb n GLU 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1szb s GLN 128 N -3.29 4.48 0.01 0.00 2.00 0.21 -4.77 119.66 118.31 1szb s GLN 128 Ca 0.06 1.07 -0.02 0.00 -2.00 0.00 0.00 55.36 54.47 1szb s GLN 128 Cb 0.10 -3.45 -0.01 0.00 0.80 0.00 0.00 33.01 30.44 1szb s GLN 128 CO 0.53 0.03 0.02 0.14 -0.50 0.00 0.00 175.29 175.52 1szb s VAL 129 N 0.85 0.10 0.05 1.34 -7.23 -1.26 -4.98 120.40 109.27 1szb s VAL 129 Ca 0.42 -0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 59.47 1szb s VAL 129 Cb -0.19 -0.31 -0.07 0.00 0.56 0.00 0.00 36.38 36.37 1szb s VAL 129 CO 0.22 -0.45 1.54 0.00 -0.31 0.00 0.00 175.10 176.09 1szb s ALA 130 N -1.40 3.65 0.43 1.32 0.00 -1.26 -4.93 121.76 119.57 1szb s ALA 130 Ca -0.15 1.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 1szb s ALA 130 Cb -0.09 -3.64 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 1szb s ALA 130 CO -0.00 -0.98 -0.16 -2.30 0.00 0.00 0.00 175.76 172.32 1szb n PRO 131 N 5.28 0.00 0.00 0.00 -0.02 -1.26 -2.09 135.00 136.91 1szb n PRO 131 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1szb n PRO 131 Cb 0.42 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 1szb n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1szb n GLY 132 N 2.00 2.05 3.76 -1.23 0.00 -1.26 -4.99 105.19 105.52 1szb n GLY 132 Ca 0.05 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1szb n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1szb s GLU 133 N 0.00 3.41 0.74 1.61 2.02 -0.89 -4.98 118.70 120.62 1szb s GLU 133 Ca 0.00 2.05 -0.13 0.00 0.02 0.00 0.00 54.97 56.90 1szb s GLU 133 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.94 1szb s GLU 133 CO 0.00 -0.91 1.14 0.00 0.02 0.00 0.00 175.26 175.51 1szb s ALA 134 N -1.40 2.17 0.56 5.21 0.00 -1.26 -4.92 121.76 122.11 1szb s ALA 134 Ca 0.68 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 1szb s ALA 134 Cb -0.36 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1szb s ALA 134 CO 0.42 -1.78 1.27 -2.14 0.00 0.00 0.00 175.76 173.53 1szb s PRO 135 N -4.26 3.12 0.36 0.00 0.02 -1.26 -4.90 135.00 128.08 1szb s PRO 135 Ca 0.68 2.00 0.11 0.00 0.02 0.00 0.00 61.00 63.81 1szb s PRO 135 Cb -0.23 -2.13 0.68 0.00 0.02 0.00 0.00 34.50 32.84 1szb s PRO 135 CO 0.48 -1.14 1.82 1.79 -0.33 0.00 0.00 177.00 179.62 1szb h THR 136 N 1.23 1.25 -3.76 0.99 1.35 -1.87 -3.43 112.91 108.67 1szb h THR 136 Ca -0.50 -1.21 -0.66 0.00 -0.55 0.00 0.00 66.41 63.49 1szb h THR 136 Cb 1.30 1.57 -0.21 0.00 -1.73 0.00 0.00 68.15 69.08 1szb h THR 136 CO 0.57 0.35 -0.85 0.00 -0.25 0.00 0.00 175.52 175.34 1szb h ASP 138 N 3.77 0.18 0.00 0.00 3.58 -1.64 -3.44 116.42 118.86 1szb h ASP 138 Ca -0.49 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.50 1szb h ASP 138 Cb 1.18 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1szb h ASP 138 CO 0.41 0.60 0.00 1.41 -2.88 0.00 0.00 179.24 178.78 1szb n HIS 139 N -4.73 0.00 -4.66 0.28 8.25 -1.26 -4.96 115.22 108.14 1szb n HIS 139 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 1szb n HIS 139 Cb 0.29 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.28 1szb n HIS 139 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1szb s HIS 140 N -0.03 2.89 -0.18 4.41 3.76 -0.43 -5.01 115.29 120.71 1szb s HIS 140 Ca 0.00 -0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 54.75 1szb s HIS 140 Cb 0.00 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1szb s HIS 140 CO 0.00 0.17 -0.12 0.00 -0.85 0.00 0.00 174.74 173.94 1szb s HIS 142 N 1.12 3.11 -0.10 0.00 3.76 -0.34 -5.02 115.29 117.82 1szb s HIS 142 Ca 0.01 -1.67 -0.06 0.00 -0.15 0.00 0.00 55.06 53.19 1szb s HIS 142 Cb -0.14 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1szb s HIS 142 CO -0.04 -0.76 0.13 1.21 -0.85 0.00 0.00 174.74 174.44 1szb s ASN 143 N 1.29 6.28 0.29 1.40 2.47 -1.26 -1.72 114.94 123.69 1szb s ASN 143 Ca -0.01 0.41 -0.05 0.00 0.42 0.00 0.00 52.86 53.63 1szb s ASN 143 Cb -0.17 -2.00 -0.01 0.00 -1.45 0.00 0.00 41.25 37.62 1szb s ASN 143 CO -0.04 0.38 0.41 -1.38 -3.72 0.00 0.00 177.10 172.75 1szb s HIS 144 N -1.07 0.88 0.01 0.43 -3.43 -1.05 -5.01 115.29 106.06 1szb s HIS 144 Ca 0.17 -1.14 -0.30 0.00 -0.80 0.00 0.00 55.06 52.99 1szb s HIS 144 Cb -0.12 -0.10 -0.07 0.00 -1.43 0.00 0.00 32.58 30.86 1szb s HIS 144 CO 0.07 -1.00 1.78 -0.51 -2.00 0.00 0.00 174.74 173.08 1szb s LEU 145 N -3.16 4.38 0.00 5.38 1.43 -1.26 -2.70 118.68 122.75 1szb s LEU 145 Ca 0.30 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 1szb s LEU 145 Cb 0.01 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1szb s LEU 145 CO 0.16 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1szb n GLY 146 N 4.27 1.58 0.00 -3.19 0.00 -1.26 -4.95 105.19 101.64 1szb n GLY 146 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1szb n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1szb n GLY 147 N -2.00 1.35 3.69 -0.02 0.00 -1.10 -4.53 105.19 102.58 1szb n GLY 147 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1szb n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1szb s PHE 148 N -1.93 -0.07 0.03 1.61 -0.71 -1.26 -2.51 117.98 113.12 1szb s PHE 148 Ca 0.00 -0.12 -0.27 0.00 -1.04 0.00 0.00 56.93 55.50 1szb s PHE 148 Cb 0.00 0.59 0.09 0.00 -1.21 0.00 0.00 43.02 42.49 1szb s PHE 148 CO 0.00 -0.52 0.80 1.52 -1.34 0.00 0.00 175.22 175.68 1szb s TYR 149 N -2.77 -0.43 0.29 3.49 1.13 -0.70 -5.02 117.35 113.35 1szb s TYR 149 Ca 0.14 0.34 0.06 0.00 -1.41 0.00 0.00 57.07 56.20 1szb s TYR 149 Cb 0.02 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 1szb s TYR 149 CO -0.01 -0.62 0.33 0.00 -2.51 0.00 0.00 175.55 172.74 1szb s SER 151 N -4.00 0.12 0.29 0.00 1.04 -0.47 -4.95 113.70 105.73 1szb s SER 151 Ca 0.38 -1.03 0.11 0.00 0.48 0.00 0.00 55.95 55.89 1szb s SER 151 Cb -0.08 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1szb s SER 151 CO 0.28 -0.86 -0.17 0.00 0.98 0.00 0.00 173.24 173.47 1szb s ARG 153 N -3.53 1.17 0.34 0.00 0.52 -1.26 -4.87 118.95 111.31 1szb s ARG 153 Ca 0.31 1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 56.46 1szb s ARG 153 Cb -0.04 -1.77 -0.11 0.00 0.52 0.00 0.00 34.95 33.56 1szb s ARG 153 CO 0.15 -2.42 1.42 0.00 0.02 0.00 0.00 175.30 174.48 1szb s ALA 154 N -2.75 3.57 0.00 2.13 0.00 -1.26 -1.73 121.76 121.72 1szb s ALA 154 Ca 0.65 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1szb s ALA 154 Cb -0.21 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1szb s ALA 154 CO 0.58 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1szb n GLY 155 N 0.96 2.91 3.95 0.00 0.00 -1.26 -5.03 105.19 106.71 1szb n GLY 155 Ca 0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1szb n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1szb s TYR 156 N -2.87 3.19 0.06 1.61 1.51 -0.70 -2.29 117.35 117.86 1szb s TYR 156 Ca 0.00 -0.16 0.05 0.00 -1.01 0.00 0.00 57.07 55.95 1szb s TYR 156 Cb 0.00 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1szb s TYR 156 CO 0.00 0.21 -0.14 0.54 -1.11 0.00 0.00 175.55 175.05 1szb s VAL 157 N -2.13 1.10 0.13 0.71 0.11 0.32 -4.68 120.40 115.96 1szb s VAL 157 Ca 0.40 -1.21 -0.30 0.00 -2.93 0.00 0.00 61.98 57.93 1szb s VAL 157 Cb -0.09 -1.04 -0.07 0.00 -1.53 0.00 0.00 36.38 33.65 1szb s VAL 157 CO 0.29 -0.16 1.11 -0.22 -3.33 0.00 0.00 175.10 172.79 1szb s LEU 158 N -1.56 4.45 0.77 2.54 2.96 -1.26 -1.24 118.68 125.33 1szb s LEU 158 Ca -0.01 2.03 -0.11 0.00 -0.22 0.00 0.00 54.13 55.81 1szb s LEU 158 Cb -0.09 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.06 1szb s LEU 158 CO 0.02 -0.29 1.08 -1.00 -1.32 0.00 0.00 176.35 174.84 1szb s HIS 159 N 0.24 2.86 0.59 5.38 3.76 0.12 -4.89 115.29 123.35 1szb s HIS 159 Ca 0.52 1.29 0.30 0.00 -0.15 0.00 0.00 55.06 57.02 1szb s HIS 159 Cb -0.29 -3.04 1.35 0.00 1.11 0.00 0.00 32.58 31.72 1szb s HIS 159 CO 0.33 -1.64 1.71 0.00 -0.85 0.00 0.00 174.74 174.28 1szb h ARG 160 N -1.01 0.00 0.00 1.40 2.47 -1.96 0.16 114.38 115.44 1szb h ARG 160 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1szb h ARG 160 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1szb h ARG 160 CO 0.57 0.00 0.00 0.27 0.56 0.00 0.00 179.97 181.37 1szb n ASN 161 N -3.64 0.00 -1.59 7.04 0.23 -1.26 -4.89 115.26 111.15 1szb n ASN 161 Ca 0.16 -0.88 -0.19 0.00 -0.53 0.00 0.00 54.58 53.13 1szb n ASN 161 Cb 1.02 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.65 1szb n ASN 161 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1szb n LYS 162 N -0.95 -1.35 0.11 -3.83 4.76 0.04 -4.75 118.16 112.20 1szb n LYS 162 Ca 0.17 1.11 0.00 0.00 -2.87 0.00 0.00 58.31 56.72 1szb n LYS 162 Cb 0.08 -5.46 0.00 0.00 -1.84 0.00 0.00 35.03 27.81 1szb n LYS 162 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1szb n ARG 163 N -2.53 0.00 -2.34 1.97 1.74 -1.26 -4.02 116.66 110.22 1szb n ARG 163 Ca -0.20 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.50 1szb n ARG 163 Cb 0.63 -0.03 -0.03 0.00 -1.02 0.00 0.00 32.46 32.01 1szb n ARG 163 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1szb s THR 164 N -2.00 3.25 0.12 0.55 2.01 -1.26 -1.83 115.64 116.47 1szb s THR 164 Ca 0.00 1.08 0.08 0.00 0.31 0.00 0.00 61.69 63.16 1szb s THR 164 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1szb s THR 164 CO 0.00 0.13 -0.13 0.00 -0.69 0.00 0.00 174.62 173.93 1szb s SER 166 N -2.26 -0.64 0.06 0.00 0.15 -0.38 -4.94 113.70 105.71 1szb s SER 166 Ca 0.21 1.22 -0.37 0.00 0.70 0.00 0.00 55.95 57.71 1szb s SER 166 Cb -0.11 1.24 -0.18 0.00 -1.71 0.00 0.00 66.02 65.25 1szb s SER 166 CO 0.13 -0.22 1.07 -0.62 1.20 0.00 0.00 173.24 174.80 1szb n GLU 167 N 2.72 0.37 0.00 5.44 1.02 -1.26 -0.52 120.64 128.40 1szb n GLU 167 Ca -0.14 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1szb n GLU 167 Cb 0.56 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1szb n GLU 167 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35