#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1szb s LEU 3 N 0.00 3.66 0.33 2.45 0.20 -1.26 -4.94 118.68 119.12 1szb s LEU 3 Ca 0.00 1.13 -0.25 0.00 0.69 0.00 0.00 54.13 55.70 1szb s LEU 3 Cb 0.00 -3.54 -0.14 0.00 -0.43 0.00 0.00 46.19 42.08 1szb s LEU 3 CO 0.00 -1.42 0.59 0.61 -0.29 0.00 0.00 176.35 175.84 1szb n GLY 4 N 4.98 -1.43 3.72 7.98 0.00 -1.26 -4.88 105.19 114.30 1szb n GLY 4 Ca 0.18 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 0.81 2.75 -2.39 1.61 -0.02 -1.26 -4.95 135.00 131.55 1szb n PRO 5 Ca 0.13 0.99 -0.43 0.00 -2.02 0.00 0.00 63.50 62.17 1szb n PRO 5 Cb 0.34 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 30.97 1szb n PRO 5 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1szb s LYS 6 N 1.08 3.95 0.59 -0.52 -0.14 -1.26 -5.02 119.74 118.41 1szb s LYS 6 Ca 0.75 1.35 0.03 0.00 -1.36 0.00 0.00 55.97 56.73 1szb s LYS 6 Cb -0.51 -3.88 0.06 0.00 -1.68 0.00 0.00 37.83 31.82 1szb s LYS 6 CO 0.33 -1.08 0.81 -1.58 -0.76 0.00 0.00 175.35 173.08 1szb s TRP 7 N 4.33 2.32 0.18 3.18 0.52 -1.26 -5.06 118.94 123.14 1szb s TRP 7 Ca 0.57 -0.22 -0.31 0.00 0.02 0.00 0.00 56.10 56.17 1szb s TRP 7 Cb -0.18 -2.71 -0.09 0.00 -1.15 0.00 0.00 33.47 29.34 1szb s TRP 7 CO 0.22 -1.09 1.40 -2.14 0.02 0.00 0.00 176.95 175.37 1szb s PRO 8 N -4.81 4.31 0.19 4.98 0.02 -1.26 -5.01 135.00 133.43 1szb s PRO 8 Ca 0.60 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 63.49 1szb s PRO 8 Cb -0.08 -3.18 -0.08 0.00 0.02 0.00 0.00 34.50 31.18 1szb s PRO 8 CO 0.39 -0.40 1.03 -1.21 -0.33 0.00 0.00 177.00 176.49 1szb s GLU 9 N 0.36 4.68 -1.36 5.54 2.02 -1.26 -4.93 118.70 123.75 1szb s GLU 9 Ca 0.62 1.63 -0.15 0.00 0.02 0.00 0.00 54.97 57.08 1szb s GLU 9 Cb -0.39 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.56 1szb s GLU 9 CO 0.36 0.23 2.19 -2.30 0.02 0.00 0.00 175.26 175.76 1szb n PRO 10 N 2.07 2.66 -2.28 0.39 -0.02 -1.26 -4.92 135.00 131.63 1szb n PRO 10 Ca 0.01 -2.48 -0.43 0.00 -2.02 0.00 0.00 63.50 58.58 1szb n PRO 10 Cb 0.47 -3.23 -0.02 0.00 -0.02 0.00 0.00 33.50 30.70 1szb n PRO 10 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1szb s VAL 11 N 3.45 3.84 0.14 -1.45 1.01 -1.26 -4.95 120.40 121.19 1szb s VAL 11 Ca 0.49 0.88 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 1szb s VAL 11 Cb 0.14 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.51 1szb s VAL 11 CO -0.06 -0.64 0.56 0.72 0.00 0.00 0.00 175.10 175.68 1szb s PHE 12 N 5.54 -0.47 0.01 5.22 -0.12 -1.26 0.48 117.98 127.37 1szb s PHE 12 Ca 0.64 0.27 -0.02 0.00 -0.05 0.00 0.00 56.93 57.78 1szb s PHE 12 Cb -0.16 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1szb s PHE 12 CO 0.32 -0.81 0.07 0.41 -0.05 0.00 0.00 175.22 175.16 1szb n GLY 13 N -0.28 1.21 2.95 1.99 0.00 -0.20 -4.96 105.19 105.90 1szb n GLY 13 Ca -0.17 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 0.36 0.03 1.61 3.52 -1.26 -1.27 118.95 119.93 1szb s ARG 14 Ca 0.02 -0.18 0.06 0.00 -0.13 0.00 0.00 55.73 55.50 1szb s ARG 14 Cb -0.00 -0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.03 1szb s ARG 14 CO 0.00 0.09 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.90 1szb s LEU 15 N -0.16 2.13 -0.09 -0.88 1.43 -0.35 -4.98 118.68 115.79 1szb s LEU 15 Ca 0.01 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1szb s LEU 15 Cb -0.02 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.41 1szb s LEU 15 CO -0.00 0.13 0.41 0.00 0.23 0.00 0.00 176.35 177.13 1szb s ALA 16 N -0.70 -1.04 0.67 4.21 0.00 -1.26 0.40 121.76 124.04 1szb s ALA 16 Ca 0.05 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.71 1szb s ALA 16 Cb -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1szb s ALA 16 CO 0.01 -0.25 1.24 -1.54 0.00 0.00 0.00 175.76 175.22 1szb s SER 17 N -0.60 4.55 0.23 0.00 1.04 -0.61 -4.89 113.70 113.42 1szb s SER 17 Ca -0.07 2.47 -0.32 0.00 0.48 0.00 0.00 55.95 58.51 1szb s SER 17 Cb -0.04 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 63.35 1szb s SER 17 CO 0.03 -2.03 1.43 -2.65 0.98 0.00 0.00 173.24 171.01 1szb n PRO 18 N -2.17 2.06 -1.05 4.02 -0.02 -1.26 -1.63 135.00 134.94 1szb n PRO 18 Ca 0.14 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.34 1szb n PRO 18 Cb 0.49 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.31 0.45 3.77 -1.23 0.00 -1.26 -4.59 105.19 104.63 1szb n GLY 19 Ca 0.12 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.74 2.43 -1.23 1.61 5.36 -0.65 0.49 117.98 124.25 1szb s PHE 20 Ca 0.00 1.24 0.06 0.00 -0.96 0.00 0.00 56.93 57.28 1szb s PHE 20 Cb 0.00 -3.95 0.28 0.00 -0.34 0.00 0.00 43.02 39.01 1szb s PHE 20 CO 0.00 -3.03 1.06 -0.35 -1.46 0.00 0.00 175.22 171.44 1szb n PRO 21 N -0.20 2.14 -1.87 10.12 -0.04 -1.26 -5.04 135.00 138.84 1szb n PRO 21 Ca 0.05 -1.10 -0.30 0.00 -0.04 0.00 0.00 63.50 62.11 1szb n PRO 21 Cb 0.41 -1.56 0.19 0.00 -0.04 0.00 0.00 33.50 32.50 1szb n PRO 21 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1szb s GLY 22 N -0.57 1.77 0.66 0.55 0.00 0.18 -4.70 107.32 105.21 1szb s GLY 22 Ca 0.20 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 1szb s GLY 22 CO 0.09 -0.40 1.12 1.18 0.00 0.00 0.00 173.10 175.08 1szb n GLU 23 N -3.83 0.86 -4.25 2.90 1.02 -1.26 -4.44 120.64 111.65 1szb n GLU 23 Ca 0.15 0.35 -0.34 0.00 -0.02 0.00 0.00 57.16 57.30 1szb n GLU 23 Cb 0.59 -2.35 -0.11 0.00 -0.02 0.00 0.00 31.44 29.55 1szb n GLU 23 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1szb s TYR 24 N -1.55 3.12 1.01 -0.32 -0.85 -0.98 -4.81 117.35 112.97 1szb s TYR 24 Ca 0.79 -0.13 -0.16 0.00 -0.52 0.00 0.00 57.07 57.05 1szb s TYR 24 Cb -0.38 -1.99 0.03 0.00 0.38 0.00 0.00 41.96 40.00 1szb s TYR 24 CO 0.45 0.07 0.10 0.00 -1.52 0.00 0.00 175.55 174.65 1szb n ALA 25 N 3.46 -3.46 -2.20 9.51 0.00 -1.26 -4.93 120.51 121.62 1szb n ALA 25 Ca -0.17 -0.86 -0.26 0.00 0.00 0.00 0.00 53.44 52.15 1szb n ALA 25 Cb 0.52 -1.62 0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.84 5.82 -1.33 0.00 -0.87 -1.26 -4.28 114.94 111.18 1szb s ASN 26 Ca 0.54 0.64 -0.03 0.00 -1.57 0.00 0.00 52.86 52.44 1szb s ASN 26 Cb -0.17 -1.79 0.02 0.00 -0.02 0.00 0.00 41.25 39.29 1szb s ASN 26 CO 0.68 -0.84 0.24 0.47 -2.57 0.00 0.00 177.10 175.08 1szb n ASP 27 N -2.36 -4.65 -4.87 -1.22 8.00 0.69 -4.90 116.55 107.24 1szb n ASP 27 Ca 0.03 -0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.15 1szb n ASP 27 Cb 0.57 -3.87 -0.04 0.00 -0.02 0.00 0.00 41.12 37.77 1szb n ASP 27 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1szb s GLN 28 N -5.39 3.82 -0.12 -1.24 -1.52 -0.84 -4.87 119.66 109.50 1szb s GLN 28 Ca 0.15 0.55 -0.05 0.00 -1.95 0.00 0.00 55.36 54.06 1szb s GLN 28 Cb -0.08 -2.37 0.05 0.00 -0.22 0.00 0.00 33.01 30.40 1szb s GLN 28 CO 0.19 -0.04 0.26 -1.21 -0.25 0.00 0.00 175.29 174.24 1szb s GLU 29 N -3.77 0.19 0.01 2.91 0.41 -1.26 -0.62 118.70 116.56 1szb s GLU 29 Ca 0.52 0.64 -0.03 0.00 -0.41 0.00 0.00 54.97 55.69 1szb s GLU 29 Cb -0.10 -0.08 -0.01 0.00 -1.78 0.00 0.00 34.13 32.16 1szb s GLU 29 CO 0.30 -0.21 0.05 1.03 -0.49 0.00 0.00 175.26 175.93 1szb s ARG 30 N 1.75 0.34 0.00 1.61 1.81 -0.72 -4.99 118.95 118.75 1szb s ARG 30 Ca -0.05 -0.42 0.01 0.00 -1.72 0.00 0.00 55.73 53.55 1szb s ARG 30 Cb -0.11 0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.52 1szb s ARG 30 CO -0.09 -0.07 -0.02 1.03 -0.68 0.00 0.00 175.30 175.47 1szb s ARG 31 N -1.19 0.17 -0.00 3.54 0.52 -1.26 -1.35 118.95 119.38 1szb s ARG 31 Ca -0.13 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1szb s ARG 31 Cb -0.08 -0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 1szb s ARG 31 CO 0.00 0.03 -0.08 -1.58 0.02 0.00 0.00 175.30 173.69 1szb s TRP 32 N -0.18 0.72 -0.14 -0.53 0.51 0.26 -4.99 118.94 114.59 1szb s TRP 32 Ca -0.01 -0.17 0.00 0.00 -2.12 0.00 0.00 56.10 53.81 1szb s TRP 32 Cb -0.02 -0.46 0.02 0.00 -0.81 0.00 0.00 33.47 32.21 1szb s TRP 32 CO -0.00 -0.01 -0.14 0.99 -0.51 0.00 0.00 176.95 177.28 1szb s THR 33 N -0.30 1.52 0.01 2.01 2.01 -1.26 -0.94 115.64 118.68 1szb s THR 33 Ca 0.02 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.49 1szb s THR 33 Cb -0.04 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 1szb s THR 33 CO -0.00 0.45 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.39 1szb s LEU 34 N 1.42 2.29 0.01 4.42 1.43 0.72 -5.00 118.68 123.98 1szb s LEU 34 Ca 0.03 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1szb s LEU 34 Cb -0.13 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1szb s LEU 34 CO -0.09 0.29 0.01 0.42 0.23 0.00 0.00 176.35 177.21 1szb s THR 35 N -0.74 0.10 0.22 5.49 -4.23 -1.26 -0.31 115.64 114.90 1szb s THR 35 Ca 0.12 -0.81 0.11 0.00 -1.18 0.00 0.00 61.69 59.92 1szb s THR 35 Cb -0.10 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.41 1szb s THR 35 CO 0.01 -0.45 -0.18 0.00 -0.54 0.00 0.00 174.62 173.47 1szb s ALA 36 N -1.37 2.74 0.72 3.99 0.00 -0.11 -5.02 121.76 122.72 1szb s ALA 36 Ca -0.15 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 49.98 1szb s ALA 36 Cb -0.09 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1szb s ALA 36 CO -0.00 0.38 1.17 -2.30 0.00 0.00 0.00 175.76 175.01 1szb n PRO 37 N -0.13 0.63 -1.68 0.00 -0.02 -1.26 -4.81 135.00 127.73 1szb n PRO 37 Ca -0.10 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1szb n PRO 37 Cb 0.57 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1szb n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1szb n PRO 38 N -2.33 1.80 -0.44 0.52 -0.02 -1.26 -1.41 135.00 131.86 1szb n PRO 38 Ca 0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1szb n PRO 38 Cb 0.49 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.90 0.73 2.95 -1.23 0.00 -1.26 -4.85 105.19 102.42 1szb n GLY 39 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1szb n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1szb s TYR 40 N -2.68 0.73 0.40 1.61 1.51 -0.50 -2.76 117.35 115.66 1szb s TYR 40 Ca 0.00 -0.17 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 1szb s TYR 40 Cb 0.00 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 1szb s TYR 40 CO 0.00 -0.10 0.52 -0.98 -1.11 0.00 0.00 175.55 173.88 1szb s ARG 41 N 0.34 2.83 -0.09 -0.62 1.70 -0.43 -4.50 118.95 118.19 1szb s ARG 41 Ca -0.05 -1.24 -0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1szb s ARG 41 Cb -0.09 -2.72 -0.03 0.00 -0.57 0.00 0.00 34.95 31.55 1szb s ARG 41 CO 0.00 -0.20 -0.06 -0.51 -1.08 0.00 0.00 175.30 173.45 1szb s LEU 42 N -4.29 3.19 -0.13 -1.89 1.43 -1.26 -1.70 118.68 114.02 1szb s LEU 42 Ca 0.52 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1szb s LEU 42 Cb -0.09 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1szb s LEU 42 CO 0.32 0.31 -0.11 -0.60 0.23 0.00 0.00 176.35 176.50 1szb s ARG 43 N -0.48 3.44 0.02 1.70 3.52 -0.32 -1.94 118.95 124.89 1szb s ARG 43 Ca 0.07 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1szb s ARG 43 Cb -0.12 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 1szb s ARG 43 CO 0.02 0.22 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.51 1szb s LEU 44 N 0.35 2.14 0.09 -0.88 0.20 -0.07 -1.14 118.68 119.37 1szb s LEU 44 Ca -0.10 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.23 1szb s LEU 44 Cb -0.16 -0.13 0.04 0.00 -0.43 0.00 0.00 46.19 45.51 1szb s LEU 44 CO 0.05 -0.11 0.40 -0.72 -0.29 0.00 0.00 176.35 175.69 1szb s TYR 45 N -0.81 -0.23 -0.13 5.38 1.13 -0.61 -0.82 117.35 121.26 1szb s TYR 45 Ca -0.06 0.03 -0.05 0.00 -1.41 0.00 0.00 57.07 55.58 1szb s TYR 45 Cb -0.06 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 1szb s TYR 45 CO -0.00 -0.64 0.06 -0.06 -2.51 0.00 0.00 175.55 172.40 1szb s PHE 46 N -3.22 3.33 -0.07 -3.49 0.40 -1.26 -1.21 117.98 112.46 1szb s PHE 46 Ca -0.01 0.26 0.22 0.00 -0.60 0.00 0.00 56.93 56.80 1szb s PHE 46 Cb 0.01 -1.93 -0.27 0.00 0.51 0.00 0.00 43.02 41.33 1szb s PHE 46 CO -0.08 0.45 0.58 0.25 0.70 0.00 0.00 175.22 177.12 1szb n THR 47 N 2.55 0.16 -3.71 0.64 -2.24 -0.68 -4.87 114.28 106.12 1szb n THR 47 Ca -0.18 -0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 60.96 1szb n THR 47 Cb 0.54 -0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.43 -0.22 4.78 5.65 -1.18 -4.97 115.29 115.45 1szb s HIS 48 Ca -0.07 0.98 -0.03 0.00 0.25 0.00 0.00 55.06 56.19 1szb s HIS 48 Cb 0.13 0.13 0.11 0.00 -1.18 0.00 0.00 32.58 31.76 1szb s HIS 48 CO 0.89 -0.28 0.27 0.12 -0.65 0.00 0.00 174.74 175.09 1szb s PHE 49 N 1.36 -0.44 -0.36 3.88 2.19 -1.26 -1.32 117.98 122.02 1szb s PHE 49 Ca -0.09 0.35 0.02 0.00 0.33 0.00 0.00 56.93 57.54 1szb s PHE 49 Cb -0.10 -0.27 0.15 0.00 -1.31 0.00 0.00 43.02 41.49 1szb s PHE 49 CO -0.10 -0.66 0.29 0.34 1.83 0.00 0.00 175.22 176.92 1szb s ASP 50 N 2.39 2.09 0.20 6.13 2.15 0.96 -1.31 116.67 129.28 1szb s ASP 50 Ca 0.09 -1.97 0.08 0.00 0.43 0.00 0.00 52.55 51.17 1szb s ASP 50 Cb -0.16 0.03 -0.05 0.00 -0.30 0.00 0.00 42.92 42.45 1szb s ASP 50 CO -0.15 -0.28 -0.15 -0.76 -0.17 0.00 0.00 175.17 173.67 1szb s LEU 51 N 1.17 2.55 -0.04 -1.34 1.43 -0.86 -1.63 118.68 119.96 1szb s LEU 51 Ca 0.18 -1.01 -0.34 0.00 -1.03 0.00 0.00 54.13 51.93 1szb s LEU 51 Cb -0.18 -0.68 -0.12 0.00 0.03 0.00 0.00 46.19 45.23 1szb s LEU 51 CO -0.01 -0.16 1.80 1.21 0.23 0.00 0.00 176.35 179.42 1szb n GLU 52 N -0.34 2.12 -2.36 1.70 2.13 -1.26 -2.50 120.64 120.13 1szb n GLU 52 Ca -0.08 0.78 -0.42 0.00 0.66 0.00 0.00 57.16 58.10 1szb n GLU 52 Cb 0.60 -2.60 -0.03 0.00 0.27 0.00 0.00 31.44 29.68 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 3.33 4.41 -0.05 4.31 0.20 -1.26 -3.53 118.68 126.09 1szb s LEU 53 Ca 0.90 2.18 -0.03 0.00 0.69 0.00 0.00 54.13 57.87 1szb s LEU 53 Cb -0.71 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 41.48 1szb s LEU 53 CO 0.49 -0.44 0.12 -0.55 -0.29 0.00 0.00 176.35 175.68 1szb s SER 54 N 0.53 -0.09 0.47 3.68 0.15 -1.26 -4.93 113.70 112.25 1szb s SER 54 Ca 0.56 0.24 0.33 0.00 0.70 0.00 0.00 55.95 57.77 1szb s SER 54 Cb -0.32 0.17 1.44 0.00 -1.71 0.00 0.00 66.02 65.61 1szb s SER 54 CO 0.34 -0.10 1.67 0.45 1.20 0.00 0.00 173.24 176.79 1szb h HIS 55 N 6.73 0.38 0.00 3.44 -0.00 -2.00 -1.49 115.15 122.21 1szb h HIS 55 Ca -0.36 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 59.87 1szb h HIS 55 Cb 1.16 -0.10 -0.34 0.00 -0.00 0.00 0.00 27.41 28.13 1szb h HIS 55 CO 0.43 -0.10 -0.97 1.28 -0.00 0.00 0.00 177.93 178.57 1szb n LEU 56 N -4.48 0.88 -3.86 2.43 4.77 -1.26 -5.00 117.00 110.48 1szb n LEU 56 Ca 0.35 -1.88 -0.30 0.00 -0.03 0.00 0.00 56.01 54.14 1szb n LEU 56 Cb 1.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.50 1szb n LEU 56 CO 0.28 0.47 0.04 0.00 -1.33 0.00 0.00 177.39 176.85 1szb h GLU 58 N -1.65 0.00 0.00 0.00 9.09 -1.95 -3.41 114.58 116.66 1szb h GLU 58 Ca -0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.86 1szb h GLU 58 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1szb h GLU 58 CO 0.67 0.00 0.00 0.66 0.05 0.00 0.00 179.01 180.39 1szb n TYR 59 N -2.99 0.00 -3.62 2.06 4.01 -1.26 -4.99 117.16 110.37 1szb n TYR 59 Ca 0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.49 1szb n TYR 59 Cb 0.49 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.00 6.42 0.02 7.72 1.01 -1.26 -4.33 116.67 125.26 1szb s ASP 60 Ca 0.00 0.51 -0.29 0.00 0.71 0.00 0.00 52.55 53.48 1szb s ASP 60 Cb 0.00 -2.06 0.11 0.00 1.01 0.00 0.00 42.92 41.98 1szb s ASP 60 CO 0.00 -0.05 1.19 0.72 0.21 0.00 0.00 175.17 177.24 1szb s PHE 61 N -1.86 -0.07 -0.15 4.23 -0.12 -0.77 -4.72 117.98 114.51 1szb s PHE 61 Ca 0.40 -0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 57.18 1szb s PHE 61 Cb -0.11 0.57 0.05 0.00 -0.63 0.00 0.00 43.02 42.89 1szb s PHE 61 CO 0.28 -0.42 0.00 0.08 -0.05 0.00 0.00 175.22 175.11 1szb s VAL 62 N -2.66 0.64 -0.11 -2.49 1.01 0.58 -1.13 120.40 116.24 1szb s VAL 62 Ca 0.13 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1szb s VAL 62 Cb 0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1szb s VAL 62 CO -0.02 0.01 0.02 -0.75 0.00 0.00 0.00 175.10 174.35 1szb s LYS 63 N 1.83 3.21 -0.08 2.72 2.20 -0.46 0.24 119.74 129.41 1szb s LYS 63 Ca 0.01 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1szb s LYS 63 Cb -0.15 -2.90 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1szb s LYS 63 CO -0.07 0.62 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.86 1szb s LEU 64 N -0.64 2.55 -0.04 5.43 1.43 -0.82 -1.86 118.68 124.74 1szb s LEU 64 Ca 0.11 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1szb s LEU 64 Cb -0.12 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1szb s LEU 64 CO 0.02 0.26 0.11 -0.44 0.23 0.00 0.00 176.35 176.53 1szb s SER 65 N -0.21 -0.11 -0.26 2.29 0.01 0.26 -0.15 113.70 115.53 1szb s SER 65 Ca -0.00 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1szb s SER 65 Cb -0.13 0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.38 1szb s SER 65 CO 0.03 -0.04 -0.04 -0.94 0.41 0.00 0.00 173.24 172.66 1szb s SER 66 N 0.06 4.17 1.56 2.44 1.04 -1.01 0.70 113.70 122.66 1szb s SER 66 Ca -0.00 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1szb s SER 66 Cb -0.01 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1szb s SER 66 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1szb n GLY 67 N 4.55 3.29 0.19 7.32 0.00 -1.26 -3.08 105.19 116.21 1szb n GLY 67 Ca -0.09 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1szb n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1szb h ALA 68 N -0.97 -0.40 -1.88 4.61 0.00 -2.01 -3.46 119.26 115.16 1szb h ALA 68 Ca 0.00 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 1szb h ALA 68 Cb 0.00 0.15 0.11 0.00 0.00 0.00 0.00 17.79 18.05 1szb h ALA 68 CO 0.00 -0.47 0.09 1.17 0.00 0.00 0.00 179.25 180.03 1szb n LYS 69 N -5.07 1.23 -3.61 0.00 4.81 -1.18 -4.95 118.16 109.39 1szb n LYS 69 Ca -0.08 0.43 -0.39 0.00 -0.87 0.00 0.00 58.31 57.39 1szb n LYS 69 Cb 0.26 -1.78 -0.11 0.00 0.02 0.00 0.00 35.03 33.42 1szb n LYS 69 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1szb s VAL 70 N -0.98 4.80 0.31 3.15 1.01 -1.26 -2.40 120.40 125.02 1szb s VAL 70 Ca 0.60 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1szb s VAL 70 Cb -0.73 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 32.31 1szb s VAL 70 CO 0.59 0.03 1.82 -0.07 0.00 0.00 0.00 175.10 177.46 1szb h LEU 71 N 8.40 0.55 0.00 3.92 3.38 -0.91 -3.47 115.31 127.17 1szb h LEU 71 Ca -0.31 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1szb h LEU 71 Cb 1.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1szb h LEU 71 CO 0.62 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.80 1szb n ALA 72 N -2.48 0.00 -3.78 1.53 0.00 -1.22 -4.98 120.51 109.59 1szb n ALA 72 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1szb n ALA 72 Cb 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 1szb n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1szb s THR 73 N -2.00 2.84 0.06 0.00 2.01 -1.26 -1.94 115.64 115.35 1szb s THR 73 Ca 0.00 -1.68 -0.08 0.00 0.31 0.00 0.00 61.69 60.24 1szb s THR 73 Cb 0.00 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1szb s THR 73 CO 0.00 -0.28 0.34 -0.76 -0.69 0.00 0.00 174.62 173.24 1szb s LEU 74 N 1.16 4.35 0.12 4.42 1.43 0.14 -4.86 118.68 125.45 1szb s LEU 74 Ca -0.01 0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 1szb s LEU 74 Cb -0.20 -2.89 0.08 0.00 0.03 0.00 0.00 46.19 43.21 1szb s LEU 74 CO -0.03 0.19 1.06 0.00 0.23 0.00 0.00 176.35 177.80 1szb n GLY 76 N -0.56 0.06 3.88 0.00 0.00 -1.04 -1.44 105.19 106.10 1szb n GLY 76 Ca -0.05 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 1szb n GLY 76 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1szb s GLN 77 N -2.03 3.56 0.36 1.61 -0.21 -1.21 -2.03 119.66 119.72 1szb s GLN 77 Ca 0.00 -0.09 0.27 0.00 0.02 0.00 0.00 55.36 55.56 1szb s GLN 77 Cb 0.00 -3.10 1.01 0.00 1.00 0.00 0.00 33.01 31.93 1szb s GLN 77 CO 0.00 0.67 1.80 0.93 -2.12 0.00 0.00 175.29 176.56 1szb h GLU 78 N 4.09 0.00 -0.11 2.91 4.39 -1.58 -2.79 114.58 121.49 1szb h GLU 78 Ca -0.50 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 58.98 1szb h GLU 78 Cb 1.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1szb h GLU 78 CO 0.65 0.00 -0.80 0.66 -1.16 0.00 0.00 179.01 178.36 1szb h SER 79 N 0.00 0.81 0.79 1.42 4.64 -1.93 -3.16 113.55 116.12 1szb h SER 79 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1szb h SER 79 Cb 0.54 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1szb h SER 79 CO 0.00 1.33 -0.42 0.35 -0.87 0.00 0.00 176.83 177.22 1szb n THR 80 N -3.89 0.17 -3.87 2.95 -2.24 -1.16 -4.97 114.28 101.27 1szb n THR 80 Ca -0.07 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 1szb n THR 80 Cb 0.75 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1szb n THR 80 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1szb n ASP 81 N -1.78 -1.64 -3.38 3.42 2.03 -1.06 -4.98 116.55 109.16 1szb n ASP 81 Ca 0.05 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1szb n ASP 81 Cb 0.38 -3.17 0.00 0.00 -0.72 0.00 0.00 41.12 37.61 1szb n ASP 81 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1szb n THR 82 N -4.36 0.00 -0.02 5.18 5.66 -1.26 -4.99 114.28 114.50 1szb n THR 82 Ca -0.25 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.82 1szb n THR 82 Cb 0.66 -0.83 -0.14 0.00 -1.55 0.00 0.00 70.33 68.47 1szb n THR 82 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1szb n GLU 83 N 0.00 0.61 0.18 1.09 2.13 -1.26 -4.45 120.64 118.94 1szb n GLU 83 Ca 0.00 -0.16 0.06 0.00 0.66 0.00 0.00 57.16 57.73 1szb n GLU 83 Cb 0.00 -1.44 0.20 0.00 0.27 0.00 0.00 31.44 30.47 1szb n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1szb h ARG 84 N 0.00 0.00 -7.11 5.31 -0.00 -1.91 -3.46 114.38 107.21 1szb h ARG 84 Ca -0.04 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.92 1szb h ARG 84 Cb 0.95 0.00 0.11 0.00 0.00 0.00 0.00 29.97 31.03 1szb h ARG 84 CO 0.00 0.34 0.45 0.00 0.00 0.00 0.00 179.97 180.76 1szb s ALA 85 N -3.25 2.53 0.17 0.04 0.00 -0.52 -2.46 121.76 118.26 1szb s ALA 85 Ca 0.03 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 1szb s ALA 85 Cb 0.08 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1szb s ALA 85 CO 0.70 -1.15 1.48 -1.35 0.00 0.00 0.00 175.76 175.43 1szb h PRO 86 N 0.78 0.72 0.00 0.00 0.11 -1.89 -3.48 132.00 128.25 1szb h PRO 86 Ca -0.50 -0.43 0.00 0.00 0.11 0.00 0.00 66.00 65.18 1szb h PRO 86 Cb 1.29 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1szb h PRO 86 CO 0.55 1.06 0.00 0.41 -0.21 0.00 0.00 178.00 179.80 1szb n GLY 87 N 0.24 1.55 1.31 -0.55 0.00 -1.26 -2.70 105.19 103.78 1szb n GLY 87 Ca -0.03 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 11.00 2.68 -1.46 1.61 5.02 -1.26 -4.65 118.16 131.11 1szb n LYS 88 Ca 0.00 -2.58 -0.37 0.00 -2.02 0.00 0.00 58.31 53.34 1szb n LYS 88 Cb 0.00 -1.56 0.06 0.00 -0.02 0.00 0.00 35.03 33.51 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 1.61 -0.21 -4.62 4.39 9.92 -1.10 -4.94 116.55 121.61 1szb n ASP 89 Ca 0.23 0.71 -0.32 0.00 -0.53 0.00 0.00 54.79 54.88 1szb n ASP 89 Cb 0.62 -1.30 -0.10 0.00 -0.64 0.00 0.00 41.12 39.70 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 -1.71 3.76 0.02 -3.53 2.01 -1.26 -4.58 115.64 110.36 1szb s THR 90 Ca 0.72 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1szb s THR 90 Cb -0.39 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1szb s THR 90 CO 0.52 0.35 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.19 1szb s PHE 91 N -1.05 2.22 0.04 4.92 0.40 -0.00 -4.97 117.98 119.54 1szb s PHE 91 Ca 0.18 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1szb s PHE 91 Cb -0.11 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 1szb s PHE 91 CO 0.09 0.06 -0.15 0.71 0.70 0.00 0.00 175.22 176.63 1szb s TYR 92 N -0.72 1.34 0.05 0.36 2.02 -1.26 -0.89 117.35 118.25 1szb s TYR 92 Ca 0.10 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 1szb s TYR 92 Cb -0.10 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 1szb s TYR 92 CO 0.01 0.04 0.96 -1.54 -1.57 0.00 0.00 175.55 173.46 1szb s SER 93 N -1.11 7.42 0.32 2.29 1.04 -0.82 -4.94 113.70 117.91 1szb s SER 93 Ca 0.03 1.72 0.11 0.00 0.48 0.00 0.00 55.95 58.29 1szb s SER 93 Cb -0.08 -2.58 0.54 0.00 0.10 0.00 0.00 66.02 64.00 1szb s SER 93 CO 0.01 -0.16 1.72 -0.07 0.98 0.00 0.00 173.24 175.72 1szb h LEU 94 N 6.20 0.01 0.00 2.42 3.38 -1.88 -3.42 115.31 122.03 1szb h LEU 94 Ca -0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1szb h LEU 94 Cb 1.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1szb h LEU 94 CO 0.73 0.50 0.00 0.61 0.09 0.00 0.00 178.44 180.37 1szb n GLY 95 N -0.13 3.06 0.55 0.83 0.00 -1.26 -4.99 105.19 103.25 1szb n GLY 95 Ca -0.02 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.37 1szb n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1szb n SER 96 N 0.00 3.11 -4.44 1.61 3.41 -1.26 -4.63 113.62 111.42 1szb n SER 96 Ca 0.00 -2.70 -0.30 0.00 -0.26 0.00 0.00 58.87 55.61 1szb n SER 96 Cb 0.00 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 1szb n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1szb s SER 97 N -1.84 3.63 -0.05 4.04 0.15 -1.26 -0.93 113.70 117.44 1szb s SER 97 Ca 0.31 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 1szb s SER 97 Cb 0.24 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1szb s SER 97 CO 0.08 0.20 0.08 -0.22 1.20 0.00 0.00 173.24 174.59 1szb s LEU 98 N -1.88 0.56 -0.19 3.45 2.96 0.57 -4.50 118.68 119.65 1szb s LEU 98 Ca 0.15 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.21 1szb s LEU 98 Cb -0.10 0.07 -0.00 0.00 0.50 0.00 0.00 46.19 46.65 1szb s LEU 98 CO 0.07 -0.18 -0.11 -1.81 -1.32 0.00 0.00 176.35 173.00 1szb s ASP 99 N 1.58 3.88 -0.05 3.68 1.01 0.22 -0.20 116.67 126.78 1szb s ASP 99 Ca -0.03 -0.46 0.05 0.00 0.71 0.00 0.00 52.55 52.81 1szb s ASP 99 Cb -0.12 -1.63 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 1szb s ASP 99 CO -0.04 0.02 -0.19 -0.63 0.21 0.00 0.00 175.17 174.54 1szb s ILE 100 N 1.19 2.63 -0.04 0.77 1.09 -0.12 -0.58 121.20 126.14 1szb s ILE 100 Ca 0.02 -0.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.71 1szb s ILE 100 Cb -0.14 -2.00 0.02 0.00 -1.06 0.00 0.00 42.46 39.28 1szb s ILE 100 CO -0.04 0.58 -0.05 -0.89 -0.10 0.00 0.00 174.94 174.43 1szb s THR 101 N -0.46 0.58 -0.12 2.92 2.01 -0.78 -0.57 115.64 119.21 1szb s THR 101 Ca 0.05 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 1szb s THR 101 Cb -0.12 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1szb s THR 101 CO 0.01 0.23 0.01 0.12 -0.69 0.00 0.00 174.62 174.30 1szb s PHE 102 N 0.81 3.15 -0.15 4.92 5.36 -0.45 -1.35 117.98 130.27 1szb s PHE 102 Ca -0.11 0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 55.90 1szb s PHE 102 Cb -0.14 -1.89 0.04 0.00 -0.34 0.00 0.00 43.02 40.70 1szb s PHE 102 CO 0.01 0.29 -0.02 0.50 -1.46 0.00 0.00 175.22 174.54 1szb s ARG 103 N -0.35 1.02 -0.17 10.12 3.00 -0.28 -1.76 118.95 130.54 1szb s ARG 103 Ca 0.07 -0.33 -0.06 0.00 -1.00 0.00 0.00 55.73 54.41 1szb s ARG 103 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 34.95 33.02 1szb s ARG 103 CO 0.02 -0.46 0.01 0.45 0.00 0.00 0.00 175.30 175.33 1szb s SER 104 N 1.78 5.23 0.33 -2.12 0.15 0.21 -1.85 113.70 117.42 1szb s SER 104 Ca 0.01 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1szb s SER 104 Cb -0.15 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1szb s SER 104 CO -0.07 0.17 0.00 -0.90 1.20 0.00 0.00 173.24 173.64 1szb n ASP 105 N 3.54 0.00 0.25 5.45 5.75 -1.26 -1.99 116.55 128.30 1szb n ASP 105 Ca -0.17 -0.64 0.11 0.00 -0.01 0.00 0.00 54.79 54.08 1szb n ASP 105 Cb 0.52 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.29 1szb n ASP 105 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1szb h TYR 106 N -0.33 0.00 -2.91 2.11 -0.00 -1.95 2.04 116.97 115.93 1szb h TYR 106 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.66 1szb h TYR 106 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 36.73 36.56 1szb h TYR 106 CO 0.00 0.14 -0.06 -1.54 -0.00 0.00 0.00 178.16 176.70 1szb s SER 107 N -6.28 -0.34 -0.14 0.10 1.04 -1.26 -4.67 113.70 102.15 1szb s SER 107 Ca -0.03 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1szb s SER 107 Cb 0.13 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1szb s SER 107 CO 0.60 -0.67 -0.18 0.20 0.98 0.00 0.00 173.24 174.17 1szb s ASN 108 N -1.93 3.45 0.24 7.02 0.01 -1.26 -5.00 114.94 117.47 1szb s ASN 108 Ca -0.06 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.54 1szb s ASN 108 Cb -0.01 -1.51 0.44 0.00 0.41 0.00 0.00 41.25 40.58 1szb s ASN 108 CO -0.01 0.11 1.75 -0.08 -1.51 0.00 0.00 177.10 177.35 1szb h GLU 109 N 7.13 0.50 -4.65 -0.60 4.81 -2.01 -3.45 114.58 116.31 1szb h GLU 109 Ca -0.29 -0.03 -0.40 0.00 -0.13 0.00 0.00 59.36 58.51 1szb h GLU 109 Cb 1.20 -0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.35 1szb h GLU 109 CO 0.54 0.33 -0.41 0.15 -0.73 0.00 0.00 179.01 178.89 1szb s LYS 110 N -6.02 1.77 -1.14 1.92 1.02 -1.26 -5.08 119.74 110.95 1szb s LYS 110 Ca -0.12 -1.92 -0.20 0.00 0.02 0.00 0.00 55.97 53.75 1szb s LYS 110 Cb 0.20 0.36 0.08 0.00 -0.52 0.00 0.00 37.83 37.94 1szb s LYS 110 CO 0.77 -0.68 1.53 -2.14 -0.92 0.00 0.00 175.35 173.91 1szb s PRO 111 N -3.37 3.79 0.11 -1.68 0.02 -1.26 -4.98 135.00 127.63 1szb s PRO 111 Ca 0.38 -1.66 -0.30 0.00 0.02 0.00 0.00 61.00 59.43 1szb s PRO 111 Cb 0.02 -5.36 -0.06 0.00 0.02 0.00 0.00 34.50 29.11 1szb s PRO 111 CO 0.25 -2.15 1.12 -0.06 -0.33 0.00 0.00 177.00 175.83 1szb s PHE 112 N 4.16 3.55 -2.07 6.54 0.08 -1.26 -4.83 117.98 124.15 1szb s PHE 112 Ca 0.48 1.50 0.31 0.00 0.12 0.00 0.00 56.93 59.34 1szb s PHE 112 Cb 0.01 -3.31 1.71 0.00 -0.57 0.00 0.00 43.02 40.87 1szb s PHE 112 CO -0.02 -0.77 2.12 0.25 -0.10 0.00 0.00 175.22 176.70 1szb n THR 113 N 3.19 0.00 -3.70 0.64 -2.24 -1.21 -2.31 114.28 108.65 1szb n THR 113 Ca 0.06 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1szb n THR 113 Cb 0.47 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.05 0.23 3.41 3.38 0.00 -0.65 -4.47 105.19 108.14 1szb n GLY 114 Ca 0.22 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 0.03 -0.01 1.61 -0.71 -1.26 -0.03 117.98 117.61 1szb s PHE 115 Ca 0.00 -0.38 0.01 0.00 -1.04 0.00 0.00 56.93 55.51 1szb s PHE 115 Cb 0.00 0.21 0.01 0.00 -1.21 0.00 0.00 43.02 42.03 1szb s PHE 115 CO 0.00 -0.80 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.07 1szb s GLU 116 N -3.89 0.21 0.13 1.99 2.12 -0.44 -1.57 118.70 117.26 1szb s GLU 116 Ca 0.10 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.44 1szb s GLU 116 Cb 0.01 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.06 1szb s GLU 116 CO -0.04 -0.03 -0.04 0.00 -0.54 0.00 0.00 175.26 174.60 1szb s ALA 117 N 0.43 1.12 0.03 6.30 0.00 0.16 -1.69 121.76 128.12 1szb s ALA 117 Ca -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1szb s ALA 117 Cb -0.07 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1szb s ALA 117 CO -0.01 -0.27 -0.06 -0.06 0.00 0.00 0.00 175.76 175.37 1szb s PHE 118 N -3.64 0.49 0.06 0.00 0.40 -0.35 -1.22 117.98 113.73 1szb s PHE 118 Ca 0.17 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1szb s PHE 118 Cb 0.06 -0.31 -0.02 0.00 0.51 0.00 0.00 43.02 43.25 1szb s PHE 118 CO -0.01 -0.12 0.06 1.52 0.70 0.00 0.00 175.22 177.37 1szb s TYR 119 N -1.32 0.36 -0.19 0.36 -0.85 -0.40 -1.57 117.35 113.74 1szb s TYR 119 Ca -0.11 -0.86 -0.25 0.00 -0.52 0.00 0.00 57.07 55.33 1szb s TYR 119 Cb -0.09 -0.25 0.06 0.00 0.38 0.00 0.00 41.96 42.06 1szb s TYR 119 CO -0.00 -0.44 0.65 0.00 -1.52 0.00 0.00 175.55 174.24 1szb s ALA 120 N -3.82 -1.64 0.31 9.51 0.00 -0.29 -1.03 121.76 124.81 1szb s ALA 120 Ca 0.05 1.66 -0.26 0.00 0.00 0.00 0.00 51.96 53.41 1szb s ALA 120 Cb 0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 1szb s ALA 120 CO -0.10 -0.33 0.94 0.00 0.00 0.00 0.00 175.76 176.27 1szb s ALA 121 N -0.13 3.23 0.04 0.00 0.00 0.18 -1.17 121.76 123.92 1szb s ALA 121 Ca -0.04 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 1szb s ALA 121 Cb -0.03 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1szb s ALA 121 CO 0.03 0.18 0.04 -1.83 0.00 0.00 0.00 175.76 174.19 1szb s GLU 122 N -1.94 0.58 0.23 0.00 -1.05 -0.69 -4.87 118.70 110.96 1szb s GLU 122 Ca 0.49 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 54.10 1szb s GLU 122 Cb -0.19 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.62 1szb s GLU 122 CO 0.25 -0.13 1.31 0.34 0.95 0.00 0.00 175.26 177.97 1szb s ASP 123 N -2.36 6.88 -0.02 0.83 2.15 -1.26 -1.32 116.67 121.57 1szb s ASP 123 Ca -0.02 2.47 -0.22 0.00 0.43 0.00 0.00 52.55 55.21 1szb s ASP 123 Cb 0.01 -2.62 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 1szb s ASP 123 CO -0.06 -0.52 0.67 -0.63 -0.17 0.00 0.00 175.17 174.45 1szb s ILE 124 N -0.23 4.93 -0.89 4.11 1.01 -1.11 -4.81 121.20 124.21 1szb s ILE 124 Ca 0.55 1.39 -0.14 0.00 0.00 0.00 0.00 60.65 62.44 1szb s ILE 124 Cb -0.37 -4.01 0.21 0.00 0.01 0.00 0.00 42.46 38.30 1szb s ILE 124 CO 0.42 0.34 0.89 -0.62 0.00 0.00 0.00 174.94 175.97 1szb s ASP 125 N 0.23 6.81 0.00 3.58 -1.08 -1.26 -4.81 116.67 120.14 1szb s ASP 125 Ca 0.35 -2.67 0.00 0.00 -0.52 0.00 0.00 52.55 49.70 1szb s ASP 125 Cb -0.18 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1szb s ASP 125 CO 0.18 -0.64 0.48 -1.84 0.52 0.00 0.00 175.17 173.87 1szb n GLU 126 N 4.37 0.52 0.03 4.34 0.00 -1.26 -1.03 120.64 127.61 1szb n GLU 126 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.45 1szb n GLU 126 Cb 0.46 -1.04 0.01 0.00 0.00 0.00 0.00 31.44 30.87 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 -3.23 4.44 0.03 0.00 2.00 -0.20 -4.59 119.66 118.11 1szb s GLN 128 Ca 0.03 1.46 0.01 0.00 -2.00 0.00 0.00 55.36 54.85 1szb s GLN 128 Cb 0.14 -3.52 -0.02 0.00 0.80 0.00 0.00 33.01 30.41 1szb s GLN 128 CO 0.81 -0.29 -0.06 0.08 -0.50 0.00 0.00 175.29 175.34 1szb s VAL 129 N 1.83 0.35 0.61 1.34 1.01 -1.26 -4.99 120.40 119.29 1szb s VAL 129 Ca 0.51 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1szb s VAL 129 Cb -0.20 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1szb s VAL 129 CO 0.21 -0.42 1.06 0.00 0.00 0.00 0.00 175.10 175.95 1szb s ALA 130 N -1.37 2.73 -0.06 5.51 0.00 -1.26 -4.94 121.76 122.36 1szb s ALA 130 Ca -0.12 0.35 -0.36 0.00 0.00 0.00 0.00 51.96 51.83 1szb s ALA 130 Cb -0.10 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 1szb s ALA 130 CO -0.00 -0.87 1.69 -2.30 0.00 0.00 0.00 175.76 174.28 1szb n PRO 131 N -2.18 1.71 -0.47 0.00 -0.02 -1.26 -1.37 135.00 131.41 1szb n PRO 131 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1szb n PRO 131 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.83 0.74 3.85 -1.23 0.00 -1.26 -5.05 105.19 106.07 1szb n GLY 132 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.53 3.12 0.22 1.61 2.02 -0.47 -5.05 118.70 119.63 1szb s GLU 133 Ca 0.00 -0.66 -0.32 0.00 0.02 0.00 0.00 54.97 54.01 1szb s GLU 133 Cb 0.00 -2.82 -0.13 0.00 0.10 0.00 0.00 34.13 31.28 1szb s GLU 133 CO 0.00 0.54 1.59 0.00 0.02 0.00 0.00 175.26 177.41 1szb n ALA 134 N -0.00 1.96 -1.78 5.21 0.00 -1.26 -4.86 120.51 119.78 1szb n ALA 134 Ca -0.07 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1szb n ALA 134 Cb 0.53 -2.41 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 1szb n ALA 134 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1szb s PRO 135 N 0.40 4.11 0.60 0.00 0.02 -1.26 -4.91 135.00 133.97 1szb s PRO 135 Ca 0.72 2.57 0.36 0.00 0.02 0.00 0.00 61.00 64.67 1szb s PRO 135 Cb -0.59 -2.97 1.95 0.00 0.02 0.00 0.00 34.50 32.91 1szb s PRO 135 CO 0.41 -0.54 2.24 0.00 -0.33 0.00 0.00 177.00 178.79 1szb h THR 136 N 2.99 0.28 -3.66 0.99 1.03 -1.86 -3.42 112.91 109.25 1szb h THR 136 Ca -0.51 -0.16 -0.46 0.00 -0.01 0.00 0.00 66.41 65.28 1szb h THR 136 Cb 1.24 1.12 -0.19 0.00 -1.07 0.00 0.00 68.15 69.24 1szb h THR 136 CO 0.65 0.02 -0.78 0.00 -0.01 0.00 0.00 175.52 175.40 1szb h ASP 138 N 3.72 -0.05 0.00 0.00 3.58 -1.83 -3.44 116.42 118.39 1szb h ASP 138 Ca -0.42 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 56.65 1szb h ASP 138 Cb 1.19 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1szb h ASP 138 CO 0.47 0.36 0.00 1.41 -2.88 0.00 0.00 179.24 178.60 1szb n HIS 139 N -4.92 0.00 -5.09 0.28 8.25 -1.26 -5.01 115.22 107.47 1szb n HIS 139 Ca -0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.06 1szb n HIS 139 Cb 0.22 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.19 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 0.00 2.53 -0.16 4.41 3.76 -0.37 -4.99 115.29 120.47 1szb s HIS 140 Ca 0.00 -0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 1szb s HIS 140 Cb 0.00 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 1szb s HIS 140 CO 0.00 0.06 -0.01 0.00 -0.85 0.00 0.00 174.74 173.94 1szb s HIS 142 N 0.37 2.86 -0.13 0.00 3.76 -0.24 -5.02 115.29 116.89 1szb s HIS 142 Ca -0.02 -1.95 -0.07 0.00 -0.15 0.00 0.00 55.06 52.87 1szb s HIS 142 Cb -0.14 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 1szb s HIS 142 CO 0.02 -0.82 0.14 1.21 -0.85 0.00 0.00 174.74 174.44 1szb s ASN 143 N 1.25 6.38 0.30 1.40 2.47 -1.26 -1.34 114.94 124.13 1szb s ASN 143 Ca -0.04 0.45 -0.01 0.00 0.42 0.00 0.00 52.86 53.68 1szb s ASN 143 Cb -0.18 -2.07 -0.02 0.00 -1.45 0.00 0.00 41.25 37.53 1szb s ASN 143 CO -0.07 0.39 0.36 -1.38 -3.72 0.00 0.00 177.10 172.67 1szb s HIS 144 N -0.89 1.19 -0.02 0.43 -3.43 -1.04 -5.00 115.29 106.51 1szb s HIS 144 Ca 0.14 -1.34 -0.30 0.00 -0.80 0.00 0.00 55.06 52.76 1szb s HIS 144 Cb -0.12 -0.31 -0.06 0.00 -1.43 0.00 0.00 32.58 30.66 1szb s HIS 144 CO 0.04 -0.96 1.70 -0.51 -2.00 0.00 0.00 174.74 173.01 1szb s LEU 145 N -3.23 4.35 0.00 5.38 1.43 -1.26 -2.82 118.68 122.52 1szb s LEU 145 Ca 0.34 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1szb s LEU 145 Cb 0.02 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1szb s LEU 145 CO 0.19 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1szb n GLY 146 N 4.18 1.50 0.00 -3.19 0.00 -1.26 -4.96 105.19 101.46 1szb n GLY 146 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.58 3.65 -0.02 0.00 -1.13 -4.48 105.19 102.80 1szb n GLY 147 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.03 -0.15 0.21 1.61 -0.71 -1.26 -2.51 117.98 113.14 1szb s PHE 148 Ca 0.00 -0.05 -0.22 0.00 -1.04 0.00 0.00 56.93 55.62 1szb s PHE 148 Cb 0.00 0.58 0.05 0.00 -1.21 0.00 0.00 43.02 42.44 1szb s PHE 148 CO 0.00 -0.57 0.69 1.52 -1.34 0.00 0.00 175.22 175.52 1szb s TYR 149 N -2.95 -0.34 0.25 3.49 1.13 -0.45 -5.01 117.35 113.47 1szb s TYR 149 Ca 0.11 0.01 0.08 0.00 -1.41 0.00 0.00 57.07 55.86 1szb s TYR 149 Cb 0.00 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 1szb s TYR 149 CO -0.02 -1.02 0.11 0.00 -2.51 0.00 0.00 175.55 172.11 1szb s SER 151 N -3.73 0.21 0.22 0.00 1.04 -0.45 -4.97 113.70 106.03 1szb s SER 151 Ca 0.32 -1.11 0.10 0.00 0.48 0.00 0.00 55.95 55.74 1szb s SER 151 Cb -0.07 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1szb s SER 151 CO 0.23 -0.79 -0.12 0.00 0.98 0.00 0.00 173.24 173.54 1szb s ARG 153 N -3.15 0.19 0.33 0.00 0.52 -1.26 -4.89 118.95 110.69 1szb s ARG 153 Ca 0.27 0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 56.01 1szb s ARG 153 Cb -0.07 -1.69 -0.10 0.00 0.52 0.00 0.00 34.95 33.61 1szb s ARG 153 CO 0.15 -2.97 1.40 0.00 0.02 0.00 0.00 175.30 173.90 1szb s ALA 154 N -2.74 3.55 0.00 2.13 0.00 -1.26 -2.37 121.76 121.08 1szb s ALA 154 Ca 0.66 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1szb s ALA 154 Cb -0.21 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1szb s ALA 154 CO 0.60 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1szb n GLY 155 N 1.02 0.69 3.65 0.00 0.00 -1.26 -5.05 105.19 104.24 1szb n GLY 155 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.31 2.40 -0.09 1.61 1.51 -1.00 -0.75 117.35 118.73 1szb s TYR 156 Ca 0.00 -0.72 -0.11 0.00 -1.01 0.00 0.00 57.07 55.24 1szb s TYR 156 Cb 0.00 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1szb s TYR 156 CO 0.00 0.39 0.29 0.08 -1.11 0.00 0.00 175.55 175.20 1szb s VAL 157 N -2.73 0.01 0.15 0.71 1.01 -0.09 -4.83 120.40 114.62 1szb s VAL 157 Ca 0.30 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 1szb s VAL 157 Cb 0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.92 1szb s VAL 157 CO 0.16 -0.05 1.62 -0.22 0.00 0.00 0.00 175.10 176.60 1szb s LEU 158 N -0.10 4.37 0.78 3.92 2.96 -1.26 -1.46 118.68 127.89 1szb s LEU 158 Ca -0.02 2.63 -0.11 0.00 -0.22 0.00 0.00 54.13 56.41 1szb s LEU 158 Cb -0.03 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.14 1szb s LEU 158 CO 0.01 -0.86 1.08 -2.28 -1.32 0.00 0.00 176.35 172.98 1szb s HIS 159 N 1.52 2.79 0.56 5.38 5.65 0.75 -4.92 115.29 127.02 1szb s HIS 159 Ca 0.72 1.31 0.25 0.00 0.25 0.00 0.00 55.06 57.59 1szb s HIS 159 Cb -0.44 -3.05 1.49 0.00 -1.18 0.00 0.00 32.58 29.40 1szb s HIS 159 CO 0.32 -1.72 2.06 0.00 -0.65 0.00 0.00 174.74 174.75 1szb h ARG 160 N -1.06 0.00 0.00 2.88 2.47 -1.94 -0.58 114.38 116.14 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 0.56 0.00 0.00 0.27 0.56 0.00 0.00 179.97 181.36 1szb n ASN 161 N -4.14 0.00 0.00 7.04 0.23 -1.26 -4.87 115.26 112.26 1szb n ASN 161 Ca 0.04 -0.61 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 1szb n ASN 161 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 -1.00 -0.99 0.00 -3.83 4.76 -0.23 -4.72 118.16 112.15 1szb n LYS 162 Ca 0.15 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1szb n LYS 162 Cb 0.07 -4.03 0.00 0.00 -1.84 0.00 0.00 35.03 29.22 1szb n LYS 162 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1szb n ARG 163 N -0.94 0.00 -1.72 1.97 0.63 -1.26 -4.24 116.66 111.09 1szb n ARG 163 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1szb n ARG 163 Cb 0.25 -0.14 -0.03 0.00 0.45 0.00 0.00 32.46 32.98 1szb n ARG 163 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1szb n THR 164 N -2.63 0.09 -3.75 5.15 -1.04 -1.26 -3.73 114.28 107.10 1szb n THR 164 Ca 0.00 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1szb n THR 164 Cb 0.14 -1.97 -0.12 0.00 -1.82 0.00 0.00 70.33 66.57 1szb n THR 164 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1szb s SER 166 N 1.44 3.47 0.41 0.00 1.04 -0.54 -4.86 113.70 114.65 1szb s SER 166 Ca 0.06 -0.42 -0.24 0.00 0.48 0.00 0.00 55.95 55.83 1szb s SER 166 Cb -0.15 -1.10 -0.11 0.00 0.10 0.00 0.00 66.02 64.76 1szb s SER 166 CO 0.05 0.23 0.88 -1.84 0.98 0.00 0.00 173.24 173.55 1szb n GLU 167 N 3.04 1.12 0.00 4.02 0.28 -1.26 -0.92 120.64 126.92 1szb n GLU 167 Ca -0.18 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1szb n GLU 167 Cb 0.52 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.52 1szb n GLU 167 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91