#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u18 s THR 4 N -2.42 4.42 -1.03 0.00 -1.32 -1.26 -4.97 115.64 109.06 1u18 s THR 4 Ca 0.64 1.44 0.10 0.00 -1.21 0.00 0.00 61.69 62.66 1u18 s THR 4 Cb -0.16 -3.68 0.20 0.00 -1.51 0.00 0.00 72.50 67.34 1u18 s THR 4 CO 0.36 -0.19 1.06 0.29 -2.21 0.00 0.00 174.62 173.93 1u18 n LYS 5 N -0.32 1.84 -0.43 7.08 4.76 -1.26 -4.66 118.16 125.17 1u18 n LYS 5 Ca 0.05 -1.63 0.04 0.00 -2.87 0.00 0.00 58.31 53.91 1u18 n LYS 5 Cb 0.53 -1.23 0.21 0.00 -1.84 0.00 0.00 35.03 32.71 1u18 n LYS 5 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1u18 n ASN 6 N 0.49 3.26 -4.72 4.39 3.02 -1.26 -4.89 115.26 115.56 1u18 n ASN 6 Ca 0.09 -2.39 -0.42 0.00 -0.03 0.00 0.00 54.58 51.83 1u18 n ASN 6 Cb 0.35 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 1u18 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u18 s ALA 7 N -1.85 3.43 -0.11 5.41 0.00 -1.26 -4.97 121.76 122.41 1u18 s ALA 7 Ca 0.29 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 1u18 s ALA 7 Cb 0.21 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1u18 s ALA 7 CO 0.11 -0.45 0.41 -0.51 0.00 0.00 0.00 175.76 175.32 1u18 s LEU 8 N 0.79 4.31 0.61 0.00 1.43 -1.26 -5.01 118.68 119.56 1u18 s LEU 8 Ca 0.58 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 54.27 1u18 s LEU 8 Cb -0.31 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 1u18 s LEU 8 CO 0.31 0.10 1.13 0.00 0.23 0.00 0.00 176.35 178.11 1u18 s ALA 9 N 0.23 2.54 0.28 4.21 0.00 -1.26 -4.29 121.76 123.48 1u18 s ALA 9 Ca 0.23 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 1u18 s ALA 9 Cb -0.15 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 1u18 s ALA 9 CO 0.09 -1.11 1.62 -1.14 0.00 0.00 0.00 175.76 175.22 1u18 s GLN 10 N -3.72 4.11 -0.05 0.00 0.74 0.69 -4.91 119.66 116.52 1u18 s GLN 10 Ca 0.70 2.60 -0.30 0.00 0.05 0.00 0.00 55.36 58.42 1u18 s GLN 10 Cb -0.23 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 1u18 s GLN 10 CO 0.36 -0.67 1.27 -0.08 -0.55 0.00 0.00 175.29 175.62 1u18 s THR 11 N 0.16 4.10 0.00 -0.34 -1.32 -1.26 -2.54 115.64 114.44 1u18 s THR 11 Ca 0.65 1.44 0.00 0.00 -1.21 0.00 0.00 61.69 62.57 1u18 s THR 11 Cb -0.48 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 66.58 1u18 s THR 11 CO 0.46 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 1u18 n GLY 12 N 3.47 0.50 3.67 6.08 0.00 -1.26 -4.97 105.19 112.68 1u18 n GLY 12 Ca 0.12 -0.88 -0.47 0.00 0.00 0.00 0.00 46.02 44.79 1u18 n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u18 n PHE 13 N -3.32 2.23 -3.29 1.61 7.35 -1.05 -4.91 117.46 116.07 1u18 n PHE 13 Ca 0.00 0.23 -0.46 0.00 -0.76 0.00 0.00 57.45 56.45 1u18 n PHE 13 Cb 0.24 -2.56 -0.03 0.00 0.35 0.00 0.00 39.48 37.48 1u18 n PHE 13 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u18 s ASN 14 N 1.77 6.49 0.31 -2.13 3.04 -1.26 -4.93 114.94 118.23 1u18 s ASN 14 Ca 0.83 -2.23 0.05 0.00 0.04 0.00 0.00 52.86 51.55 1u18 s ASN 14 Cb -0.71 -2.22 0.51 0.00 -1.54 0.00 0.00 41.25 37.29 1u18 s ASN 14 CO 0.43 -0.74 1.77 0.07 -3.04 0.00 0.00 177.10 175.58 1u18 h LYS 15 N 8.35 0.37 -0.50 0.43 2.10 -2.00 -2.85 116.57 122.47 1u18 h LYS 15 Ca -0.08 -0.13 -0.08 0.00 -2.00 0.00 0.00 60.65 58.36 1u18 h LYS 15 Cb 1.07 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 1u18 h LYS 15 CO 0.90 0.60 -0.02 -0.44 -2.00 0.00 0.00 179.45 178.49 1u18 h ASP 16 N 0.33 0.83 -0.47 7.07 5.19 -1.92 -0.74 116.42 126.72 1u18 h ASP 16 Ca 0.05 -0.22 -0.12 0.00 -0.62 0.00 0.00 57.03 56.12 1u18 h ASP 16 Cb 0.62 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1u18 h ASP 16 CO 0.04 0.91 -0.16 0.11 -3.12 0.00 0.00 179.24 177.02 1u18 h LYS 17 N 0.79 0.94 0.10 3.56 1.79 -1.94 -3.28 116.57 118.54 1u18 h LYS 17 Ca 0.15 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1u18 h LYS 17 Cb 0.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1u18 h LYS 17 CO 0.03 1.05 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.47 1u18 h TYR 18 N 0.79 -0.13 -1.13 -1.35 3.20 -1.39 -3.33 116.97 113.63 1u18 h TYR 18 Ca 0.11 -0.00 -0.74 0.00 3.14 0.00 0.00 58.73 61.24 1u18 h TYR 18 Cb 0.73 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.92 1u18 h TYR 18 CO 0.05 0.30 2.44 1.19 -1.64 0.00 0.00 178.16 180.50 1u18 n PHE 19 N -4.94 2.61 0.03 -3.82 3.72 -0.29 -4.63 117.46 110.14 1u18 n PHE 19 Ca -0.09 -2.83 0.11 0.00 -0.05 0.00 0.00 57.45 54.59 1u18 n PHE 19 Cb 0.25 -1.86 0.24 0.00 -0.94 0.00 0.00 39.48 37.16 1u18 n PHE 19 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u18 n ASN 20 N 1.92 3.50 0.00 4.37 6.94 -1.11 -4.33 115.26 126.56 1u18 n ASN 20 Ca 0.61 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 1u18 n ASN 20 Cb 0.25 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1u18 n ASN 20 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u18 n GLY 21 N 1.39 1.44 3.98 4.83 0.00 -0.29 -4.93 105.19 111.61 1u18 n GLY 21 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1u18 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u18 s ASP 22 N -3.17 5.78 0.21 1.61 1.01 -1.26 -4.61 116.67 116.24 1u18 s ASP 22 Ca 0.00 -0.08 -0.30 0.00 0.71 0.00 0.00 52.55 52.88 1u18 s ASP 22 Cb 0.00 -1.16 -0.08 0.00 1.01 0.00 0.00 42.92 42.69 1u18 s ASP 22 CO 0.00 -0.66 1.07 -0.69 0.21 0.00 0.00 175.17 175.10 1u18 s VAL 23 N -2.39 3.84 -0.13 -1.27 1.01 -1.26 -4.06 120.40 116.14 1u18 s VAL 23 Ca 0.49 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 64.14 1u18 s VAL 23 Cb -0.10 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1u18 s VAL 23 CO 0.34 0.33 -0.10 0.26 0.00 0.00 0.00 175.10 175.93 1u18 s TRP 24 N -0.57 2.88 -0.10 5.22 0.52 0.14 -4.61 118.94 122.42 1u18 s TRP 24 Ca 0.47 -0.47 -0.09 0.00 0.02 0.00 0.00 56.10 56.03 1u18 s TRP 24 Cb -0.29 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1u18 s TRP 24 CO 0.36 -0.10 0.21 0.71 0.02 0.00 0.00 176.95 178.15 1u18 s TYR 25 N 0.22 3.61 -0.41 -1.98 2.02 -0.09 -1.10 117.35 119.63 1u18 s TYR 25 Ca -0.06 0.63 -0.27 0.00 -0.37 0.00 0.00 57.07 57.00 1u18 s TYR 25 Cb -0.15 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1u18 s TYR 25 CO 0.04 0.67 1.00 0.08 -1.57 0.00 0.00 175.55 175.77 1u18 s VAL 26 N -0.89 4.45 -0.10 0.71 1.01 -0.24 -1.65 120.40 123.69 1u18 s VAL 26 Ca 0.17 1.19 0.12 0.00 0.00 0.00 0.00 61.98 63.47 1u18 s VAL 26 Cb -0.13 -4.44 -0.24 0.00 0.00 0.00 0.00 36.38 31.58 1u18 s VAL 26 CO 0.06 -0.71 0.44 0.35 0.00 0.00 0.00 175.10 175.24 1u18 n THR 27 N 6.27 1.55 -3.73 3.92 -2.24 -0.16 -4.67 114.28 115.22 1u18 n THR 27 Ca 0.09 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1u18 n THR 27 Cb 0.48 -0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 67.69 1u18 n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u18 s ASP 28 N -5.99 -0.34 0.04 3.42 1.11 -1.21 -1.34 116.67 112.35 1u18 s ASP 28 Ca -0.08 0.53 -0.09 0.00 0.18 0.00 0.00 52.55 53.08 1u18 s ASP 28 Cb 0.07 0.61 0.00 0.00 1.07 0.00 0.00 42.92 44.67 1u18 s ASP 28 CO 0.82 -0.28 0.19 -0.72 1.18 0.00 0.00 175.17 176.36 1u18 s TYR 29 N -0.44 0.06 -0.26 4.23 1.13 -0.46 -0.75 117.35 120.86 1u18 s TYR 29 Ca -0.06 -0.27 -0.01 0.00 -1.41 0.00 0.00 57.07 55.32 1u18 s TYR 29 Cb -0.03 -0.03 0.08 0.00 -1.10 0.00 0.00 41.96 40.87 1u18 s TYR 29 CO 0.02 -0.42 0.04 -1.17 -2.51 0.00 0.00 175.55 171.51 1u18 s LEU 30 N -2.05 2.14 -0.36 -3.49 2.96 -0.13 -0.60 118.68 117.15 1u18 s LEU 30 Ca -0.06 -1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 52.43 1u18 s LEU 30 Cb -0.01 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 1u18 s LEU 30 CO -0.04 -0.33 0.27 -0.62 -1.32 0.00 0.00 176.35 174.32 1u18 s ASP 31 N 1.59 6.09 0.00 3.68 -1.08 -1.26 -1.14 116.67 124.55 1u18 s ASP 31 Ca 0.02 -0.53 0.28 0.00 -0.52 0.00 0.00 52.55 51.80 1u18 s ASP 31 Cb -0.18 -2.15 1.16 0.00 -1.46 0.00 0.00 42.92 40.29 1u18 s ASP 31 CO -0.14 -0.31 1.83 0.18 0.52 0.00 0.00 175.17 177.25 1u18 n LEU 32 N 5.16 0.35 -3.16 -1.34 4.32 -0.60 -4.08 117.00 117.65 1u18 n LEU 32 Ca -0.12 0.12 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 1u18 n LEU 32 Cb 0.49 -0.26 -0.06 0.00 -1.62 0.00 0.00 43.42 41.98 1u18 n LEU 32 CO 0.38 0.07 -0.22 1.21 -1.22 0.00 0.00 177.39 177.62 1u18 n GLU 33 N -1.15 0.57 -1.95 3.23 2.13 -1.26 -4.92 120.64 117.28 1u18 n GLU 33 Ca 0.12 -2.95 -0.38 0.00 0.66 0.00 0.00 57.16 54.61 1u18 n GLU 33 Cb 0.29 -1.38 0.02 0.00 0.27 0.00 0.00 31.44 30.64 1u18 n GLU 33 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1u18 s PRO 34 N -0.49 3.47 0.52 5.31 0.02 -1.26 -4.92 135.00 137.65 1u18 s PRO 34 Ca 0.34 2.11 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 1u18 s PRO 34 Cb 0.13 -2.40 -0.06 0.00 0.02 0.00 0.00 34.50 32.20 1u18 s PRO 34 CO -0.15 -0.89 1.37 0.34 -0.33 0.00 0.00 177.00 177.35 1u18 s ASP 35 N -1.00 5.46 0.51 2.53 -1.08 -1.26 -4.89 116.67 116.94 1u18 s ASP 35 Ca 0.66 2.80 0.19 0.00 -0.52 0.00 0.00 52.55 55.68 1u18 s ASP 35 Cb -0.37 -2.64 1.30 0.00 -1.46 0.00 0.00 42.92 39.75 1u18 s ASP 35 CO 0.45 -1.44 2.11 0.44 0.52 0.00 0.00 175.17 177.24 1u18 h ASP 36 N 1.72 0.00 -3.36 -0.34 3.32 -2.04 -3.41 116.42 112.30 1u18 h ASP 36 Ca -0.51 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 55.98 1u18 h ASP 36 Cb 1.29 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.78 1u18 h ASP 36 CO 0.58 0.08 0.14 -0.69 -1.72 0.00 0.00 179.24 177.63 1u18 s VAL 37 N -4.74 5.02 -0.09 -1.35 1.01 -1.26 -5.00 120.40 113.99 1u18 s VAL 37 Ca -0.04 1.49 -0.34 0.00 0.00 0.00 0.00 61.98 63.09 1u18 s VAL 37 Cb 0.16 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 1u18 s VAL 37 CO 0.65 0.21 1.89 -2.65 0.00 0.00 0.00 175.10 175.20 1u18 n PRO 38 N 4.02 2.21 -3.50 2.72 -0.02 -1.26 -4.95 135.00 134.23 1u18 n PRO 38 Ca -0.00 0.81 -0.26 0.00 -2.02 0.00 0.00 63.50 62.03 1u18 n PRO 38 Cb 0.51 -2.67 -0.13 0.00 -0.02 0.00 0.00 33.50 31.19 1u18 n PRO 38 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1u18 s LYS 39 N 4.15 0.26 -1.11 -0.52 1.02 -1.26 -5.07 119.74 117.20 1u18 s LYS 39 Ca 0.93 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 56.34 1u18 s LYS 39 Cb -0.68 -1.04 0.29 0.00 -0.52 0.00 0.00 37.83 35.88 1u18 s LYS 39 CO 0.51 -1.04 1.23 0.54 -0.92 0.00 0.00 175.35 175.68 1u18 n ARG 40 N 5.16 3.84 -2.07 1.68 1.74 -1.26 -5.03 116.66 120.71 1u18 n ARG 40 Ca -0.03 -4.49 -0.27 0.00 -0.77 0.00 0.00 57.85 52.29 1u18 n ARG 40 Cb 0.43 -2.54 0.09 0.00 -1.02 0.00 0.00 32.46 29.41 1u18 n ARG 40 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1u18 s TYR 41 N -1.74 2.81 0.11 -1.55 4.12 -1.26 -4.46 117.35 115.37 1u18 s TYR 41 Ca 0.31 0.54 0.10 0.00 0.02 0.00 0.00 57.07 58.04 1u18 s TYR 41 Cb -0.05 -3.38 -0.04 0.00 -1.52 0.00 0.00 41.96 36.97 1u18 s TYR 41 CO -0.02 -1.65 -0.25 0.00 0.02 0.00 0.00 175.55 173.64 1u18 s ALA 43 N -1.03 -0.79 0.16 0.00 0.00 -1.26 -0.78 121.76 118.06 1u18 s ALA 43 Ca 0.12 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1u18 s ALA 43 Cb -0.10 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1u18 s ALA 43 CO 0.05 -0.30 0.31 0.00 0.00 0.00 0.00 175.76 175.82 1u18 s ALA 44 N -1.61 -0.19 0.08 0.00 0.00 -0.83 -1.07 121.76 118.13 1u18 s ALA 44 Ca -0.12 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1u18 s ALA 44 Cb -0.04 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1u18 s ALA 44 CO 0.03 -0.66 0.33 -0.48 0.00 0.00 0.00 175.76 174.98 1u18 s LEU 45 N -2.94 0.76 0.01 0.00 0.05 -0.25 -1.46 118.68 114.84 1u18 s LEU 45 Ca 0.14 -0.28 0.02 0.00 0.05 0.00 0.00 54.13 54.07 1u18 s LEU 45 Cb 0.03 1.50 -0.01 0.00 -2.05 0.00 0.00 46.19 45.66 1u18 s LEU 45 CO -0.02 -0.71 -0.07 0.00 -0.55 0.00 0.00 176.35 175.00 1u18 s ALA 46 N -3.13 0.54 -0.14 1.48 0.00 -0.86 0.27 121.76 119.92 1u18 s ALA 46 Ca -0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 1u18 s ALA 46 Cb 0.01 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1u18 s ALA 46 CO -0.07 0.09 0.36 0.00 0.00 0.00 0.00 175.76 176.14 1u18 s ALA 47 N -0.44 -0.90 0.00 0.00 0.00 -1.26 -0.83 121.76 118.33 1u18 s ALA 47 Ca -0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1u18 s ALA 47 Cb -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1u18 s ALA 47 CO -0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1u18 n GLY 48 N 3.56 -1.37 3.79 0.00 0.00 -0.49 -1.14 105.19 109.54 1u18 n GLY 48 Ca -0.18 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1u18 n GLY 48 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u18 s THR 49 N -2.25 4.31 -0.15 2.61 -1.32 -1.26 -1.29 115.64 116.29 1u18 s THR 49 Ca 0.00 1.68 -0.05 0.00 -1.21 0.00 0.00 61.69 62.10 1u18 s THR 49 Cb 0.00 -3.99 0.07 0.00 -1.51 0.00 0.00 72.50 67.07 1u18 s THR 49 CO 0.00 0.20 0.31 0.00 -2.21 0.00 0.00 174.62 172.92 1u18 s ALA 50 N -1.54 -0.73 -1.35 11.08 0.00 0.06 -4.89 121.76 124.38 1u18 s ALA 50 Ca 0.47 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 1u18 s ALA 50 Cb -0.19 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1u18 s ALA 50 CO 0.23 -0.68 0.44 0.43 0.00 0.00 0.00 175.76 176.19 1u18 n SER 51 N 5.36 -1.71 0.00 0.00 7.64 -1.26 -1.41 113.62 122.25 1u18 n SER 51 Ca -0.07 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1u18 n SER 51 Cb 0.50 -2.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.18 1u18 n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u18 n GLY 52 N -2.09 0.39 3.49 0.23 0.00 -1.26 -5.02 105.19 100.93 1u18 n GLY 52 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1u18 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u18 s LYS 53 N -0.72 1.76 -0.20 1.61 1.02 -0.50 -5.11 119.74 117.61 1u18 s LYS 53 Ca 0.00 -1.24 -0.27 0.00 0.02 0.00 0.00 55.97 54.48 1u18 s LYS 53 Cb 0.00 -2.07 -0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1u18 s LYS 53 CO 0.00 0.46 0.92 -1.17 -0.92 0.00 0.00 175.35 174.64 1u18 s LEU 54 N -2.29 4.14 0.11 3.17 0.20 -1.26 -0.76 118.68 121.98 1u18 s LEU 54 Ca 0.19 1.25 0.06 0.00 0.69 0.00 0.00 54.13 56.31 1u18 s LEU 54 Cb -0.10 -3.36 -0.04 0.00 -0.43 0.00 0.00 46.19 42.27 1u18 s LEU 54 CO 0.10 -0.52 -0.14 -0.54 -0.29 0.00 0.00 176.35 174.97 1u18 s LYS 55 N 2.63 0.98 -0.04 1.98 -0.14 -0.41 -0.62 119.74 124.11 1u18 s LYS 55 Ca 0.40 -1.18 -0.02 0.00 -1.36 0.00 0.00 55.97 53.82 1u18 s LYS 55 Cb -0.16 -0.89 0.03 0.00 -1.68 0.00 0.00 37.83 35.13 1u18 s LYS 55 CO 0.10 0.18 0.06 -2.00 -0.76 0.00 0.00 175.35 172.93 1u18 s GLU 56 N -2.48 -0.06 0.06 1.68 2.12 -0.43 -1.40 118.70 118.20 1u18 s GLU 56 Ca 0.07 0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.79 1u18 s GLU 56 Cb -0.06 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1u18 s GLU 56 CO 0.03 -0.28 -0.07 0.00 -0.54 0.00 0.00 175.26 174.40 1u18 s ALA 57 N 1.86 3.05 0.09 6.30 0.00 -0.01 -1.16 121.76 131.88 1u18 s ALA 57 Ca 0.01 -1.13 0.10 0.00 0.00 0.00 0.00 51.96 50.94 1u18 s ALA 57 Cb -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1u18 s ALA 57 CO -0.03 0.64 -0.26 -0.51 0.00 0.00 0.00 175.76 175.60 1u18 s LEU 58 N -1.91 2.30 -0.05 0.00 1.43 0.15 -2.02 118.68 118.59 1u18 s LEU 58 Ca 0.21 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1u18 s LEU 58 Cb -0.11 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1u18 s LEU 58 CO 0.12 0.22 -0.12 -0.47 0.23 0.00 0.00 176.35 176.33 1u18 s TYR 59 N -0.95 1.29 -0.02 0.29 5.04 -0.54 -1.94 117.35 120.52 1u18 s TYR 59 Ca 0.13 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.39 1u18 s TYR 59 Cb -0.10 -0.92 -0.00 0.00 0.35 0.00 0.00 41.96 41.28 1u18 s TYR 59 CO 0.05 -0.19 -0.10 0.00 -1.34 0.00 0.00 175.55 173.97 1u18 s TYR 61 N 0.01 1.90 -0.37 0.00 5.04 0.04 -1.41 117.35 122.56 1u18 s TYR 61 Ca -0.00 -0.63 -0.09 0.00 -2.44 0.00 0.00 57.07 53.91 1u18 s TYR 61 Cb -0.07 -1.29 0.05 0.00 0.35 0.00 0.00 41.96 41.00 1u18 s TYR 61 CO 0.00 -0.24 0.18 0.34 -1.34 0.00 0.00 175.55 174.50 1u18 s ASP 62 N 0.19 5.55 0.53 4.32 2.15 -0.62 -0.38 116.67 128.41 1u18 s ASP 62 Ca -0.09 -1.21 0.22 0.00 0.43 0.00 0.00 52.55 51.90 1u18 s ASP 62 Cb -0.14 -1.95 1.43 0.00 -0.30 0.00 0.00 42.92 41.96 1u18 s ASP 62 CO 0.04 -0.41 2.15 -0.65 -0.17 0.00 0.00 175.17 176.13 1u18 h PRO 63 N 8.34 0.00 -0.67 4.34 0.11 -1.85 0.65 132.00 142.92 1u18 h PRO 63 Ca -0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1u18 h PRO 63 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1u18 h PRO 63 CO 0.67 0.05 0.31 0.87 -0.21 0.00 0.00 178.00 179.68 1u18 h LYS 64 N 0.00 0.97 0.00 1.05 6.56 -1.94 -3.30 116.57 119.91 1u18 h LYS 64 Ca -0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1u18 h LYS 64 Cb 0.09 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1u18 h LYS 64 CO 0.01 0.78 -0.79 0.25 -2.06 0.00 0.00 179.45 177.64 1u18 n THR 65 N -4.45 0.00 -0.90 -0.16 -2.24 -1.06 -4.99 114.28 100.47 1u18 n THR 65 Ca 0.05 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1u18 n THR 65 Cb 0.14 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1u18 n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u18 n GLN 66 N -1.43 -0.89 -1.42 -0.78 3.00 0.22 -4.99 117.38 111.09 1u18 n GLN 66 Ca 0.00 0.22 -0.35 0.00 -0.01 0.00 0.00 57.00 56.87 1u18 n GLN 66 Cb 0.14 -4.13 0.10 0.00 0.00 0.00 0.00 30.24 26.35 1u18 n GLN 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1u18 s ASP 67 N -2.11 4.10 0.04 1.08 -0.00 -1.22 -4.73 116.67 113.83 1u18 s ASP 67 Ca 0.00 2.46 0.05 0.00 -0.00 0.00 0.00 52.55 55.06 1u18 s ASP 67 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.30 1u18 s ASP 67 CO 0.00 -2.33 -0.13 -0.89 -0.00 0.00 0.00 175.17 171.81 1u18 s THR 68 N -1.83 1.06 0.01 -1.27 2.01 -1.26 -1.58 115.64 112.78 1u18 s THR 68 Ca 0.77 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1u18 s THR 68 Cb -0.32 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1u18 s THR 68 CO 0.45 0.00 -0.02 0.72 -0.69 0.00 0.00 174.62 175.08 1u18 s PHE 69 N -0.83 0.20 0.15 4.92 -0.71 -0.50 -5.02 117.98 116.18 1u18 s PHE 69 Ca 0.01 -0.22 0.08 0.00 -1.04 0.00 0.00 56.93 55.75 1u18 s PHE 69 Cb -0.08 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 1u18 s PHE 69 CO 0.01 -0.07 -0.17 0.71 -1.34 0.00 0.00 175.22 174.36 1u18 s TYR 70 N -0.60 1.71 0.04 3.49 1.51 -1.24 -1.35 117.35 120.91 1u18 s TYR 70 Ca -0.06 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1u18 s TYR 70 Cb -0.04 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1u18 s TYR 70 CO -0.00 0.27 0.05 -0.51 -1.11 0.00 0.00 175.55 174.25 1u18 s ASP 71 N -2.54 0.24 -0.07 2.29 1.01 -0.82 -1.48 116.67 115.30 1u18 s ASP 71 Ca 0.13 -0.61 -0.05 0.00 0.71 0.00 0.00 52.55 52.73 1u18 s ASP 71 Cb -0.06 0.20 0.03 0.00 1.01 0.00 0.00 42.92 44.10 1u18 s ASP 71 CO 0.05 -0.49 0.17 0.54 0.21 0.00 0.00 175.17 175.65 1u18 s VAL 72 N -2.67 -0.02 0.05 -1.27 0.11 -0.84 0.32 120.40 116.08 1u18 s VAL 72 Ca -0.04 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 1u18 s VAL 72 Cb -0.01 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 1u18 s VAL 72 CO -0.05 0.03 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.24 1u18 s SER 73 N 0.53 0.81 -0.07 3.54 0.01 -0.31 -1.99 113.70 116.22 1u18 s SER 73 Ca -0.04 -0.70 -0.20 0.00 1.31 0.00 0.00 55.95 56.33 1u18 s SER 73 Cb -0.05 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1u18 s SER 73 CO -0.03 -0.32 0.55 -0.70 0.41 0.00 0.00 173.24 173.16 1u18 s GLU 74 N -2.33 4.34 0.24 12.44 2.12 -1.26 -1.32 118.70 132.93 1u18 s GLU 74 Ca -0.04 0.61 -0.10 0.00 0.36 0.00 0.00 54.97 55.80 1u18 s GLU 74 Cb -0.05 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.86 1u18 s GLU 74 CO -0.02 0.21 0.56 -0.51 -0.54 0.00 0.00 175.26 174.96 1u18 s LEU 75 N 0.39 4.16 -0.19 2.70 1.43 0.21 -4.33 118.68 123.05 1u18 s LEU 75 Ca 0.30 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 1u18 s LEU 75 Cb -0.16 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.38 1u18 s LEU 75 CO 0.14 -0.08 -0.10 -1.58 0.23 0.00 0.00 176.35 174.96 1u18 s GLN 76 N -2.83 1.97 -0.09 1.70 0.74 -0.89 -4.73 119.66 115.54 1u18 s GLN 76 Ca 0.48 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.83 1u18 s GLN 76 Cb -0.11 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.64 1u18 s GLN 76 CO 0.21 -0.41 1.53 -2.00 -0.55 0.00 0.00 175.29 174.07 1u18 s GLU 77 N 1.44 4.20 -0.17 1.67 2.12 -1.26 -2.16 118.70 124.53 1u18 s GLU 77 Ca -0.00 2.01 -0.24 0.00 0.36 0.00 0.00 54.97 57.10 1u18 s GLU 77 Cb -0.16 -3.91 -0.22 0.00 0.26 0.00 0.00 34.13 30.10 1u18 s GLU 77 CO -0.08 -0.80 0.46 0.93 -0.54 0.00 0.00 175.26 175.23 1u18 h GLU 78 N 9.11 0.00 -3.69 4.30 4.39 -1.60 -3.49 114.58 123.60 1u18 h GLU 78 Ca -0.35 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.18 1u18 h GLU 78 Cb 1.15 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 1u18 h GLU 78 CO 0.96 0.95 -0.02 -1.54 -1.16 0.00 0.00 179.01 178.21 1u18 s SER 79 N -6.50 0.55 0.22 1.42 1.04 -1.20 -5.05 113.70 104.19 1u18 s SER 79 Ca -0.23 -1.34 -0.32 0.00 0.48 0.00 0.00 55.95 54.54 1u18 s SER 79 Cb 0.01 0.73 -0.12 0.00 0.10 0.00 0.00 66.02 66.75 1u18 s SER 79 CO 0.62 -1.44 1.69 -2.84 0.98 0.00 0.00 173.24 172.25 1u18 s PRO 80 N -2.82 4.13 0.00 4.02 0.02 -1.26 -1.84 135.00 137.25 1u18 s PRO 80 Ca 0.25 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1u18 s PRO 80 Cb -0.02 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1u18 s PRO 80 CO 0.17 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1u18 n GLY 81 N 3.60 0.19 2.96 0.52 0.00 -1.26 -4.75 105.19 106.44 1u18 n GLY 81 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1u18 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u18 s LYS 82 N -1.25 1.74 0.11 1.61 1.02 -0.77 -1.14 119.74 121.06 1u18 s LYS 82 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.67 1u18 s LYS 82 Cb 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1u18 s LYS 82 CO 0.00 -0.18 -0.10 0.71 -0.92 0.00 0.00 175.35 174.86 1u18 s TYR 83 N 1.37 1.14 -0.02 3.18 1.51 -0.41 -1.41 117.35 122.71 1u18 s TYR 83 Ca -0.01 -0.70 0.08 0.00 -1.01 0.00 0.00 57.07 55.43 1u18 s TYR 83 Cb -0.14 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1u18 s TYR 83 CO -0.05 0.03 -0.25 0.99 -1.11 0.00 0.00 175.55 175.15 1u18 s THR 84 N -2.78 2.02 -0.17 -0.71 2.01 -0.92 -1.42 115.64 113.67 1u18 s THR 84 Ca 0.10 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 1u18 s THR 84 Cb -0.01 -1.68 0.05 0.00 0.01 0.00 0.00 72.50 70.87 1u18 s THR 84 CO 0.00 0.57 0.01 0.00 -0.69 0.00 0.00 174.62 174.51 1u18 s ALA 85 N -0.55 1.09 -0.81 7.40 0.00 0.37 -2.09 121.76 127.18 1u18 s ALA 85 Ca 0.08 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 1u18 s ALA 85 Cb -0.10 -1.10 0.09 0.00 0.00 0.00 0.00 23.12 22.01 1u18 s ALA 85 CO -0.00 -0.97 1.08 -0.80 0.00 0.00 0.00 175.76 175.07 1u18 s ASN 86 N 1.81 6.40 0.50 0.00 0.01 -1.26 -1.37 114.94 121.02 1u18 s ASN 86 Ca 0.00 -1.48 -0.17 0.00 -0.71 0.00 0.00 52.86 50.51 1u18 s ASN 86 Cb -0.16 -2.42 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 1u18 s ASN 86 CO -0.07 -1.29 0.96 0.72 -1.51 0.00 0.00 177.10 175.91 1u18 s PHE 87 N 3.57 3.44 -0.03 2.20 -0.12 -1.24 -4.53 117.98 121.25 1u18 s PHE 87 Ca 0.29 1.45 0.04 0.00 -0.05 0.00 0.00 56.93 58.66 1u18 s PHE 87 Cb -0.10 -2.77 -0.01 0.00 -0.63 0.00 0.00 43.02 39.51 1u18 s PHE 87 CO 0.00 -0.32 -0.17 -1.59 -0.05 0.00 0.00 175.22 173.10 1u18 s LYS 88 N -3.95 1.63 0.05 1.99 -2.85 -0.84 -4.21 119.74 111.56 1u18 s LYS 88 Ca 0.59 -0.59 -0.24 0.00 -1.00 0.00 0.00 55.97 54.72 1u18 s LYS 88 Cb -0.10 -1.46 -0.06 0.00 -2.06 0.00 0.00 37.83 34.15 1u18 s LYS 88 CO 0.29 0.27 0.73 0.21 0.10 0.00 0.00 175.35 176.95 1u18 s LYS 89 N -0.07 4.46 0.06 1.78 2.20 -0.32 -1.99 119.74 125.86 1u18 s LYS 89 Ca -0.01 1.00 -0.04 0.00 -0.36 0.00 0.00 55.97 56.56 1u18 s LYS 89 Cb -0.10 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1u18 s LYS 89 CO 0.01 0.34 0.05 0.14 -0.36 0.00 0.00 175.35 175.53 1u18 s VAL 90 N -0.23 0.19 0.85 4.02 -7.23 -0.55 -0.48 120.40 116.97 1u18 s VAL 90 Ca 0.36 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 1u18 s VAL 90 Cb -0.20 -1.41 0.10 0.00 0.56 0.00 0.00 36.38 35.43 1u18 s VAL 90 CO 0.22 -0.86 1.13 -1.61 -0.31 0.00 0.00 175.10 173.67 1u18 s GLU 91 N -3.79 1.66 0.57 4.82 0.41 -0.00 -3.60 118.70 118.77 1u18 s GLU 91 Ca 0.05 0.39 0.37 0.00 -0.41 0.00 0.00 54.97 55.37 1u18 s GLU 91 Cb 0.06 -1.89 2.02 0.00 -1.78 0.00 0.00 34.13 32.54 1u18 s GLU 91 CO -0.10 -1.86 2.14 1.57 -0.49 0.00 0.00 175.26 176.52 1u18 h LYS 92 N -1.26 0.00 -0.23 1.61 2.10 -1.96 -0.80 116.57 116.02 1u18 h LYS 92 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1u18 h LYS 92 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1u18 h LYS 92 CO 0.62 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.34 1u18 n ASN 93 N -2.83 2.83 0.00 7.07 0.23 -1.26 -4.84 115.26 116.46 1u18 n ASN 93 Ca -0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1u18 n ASN 93 Cb 0.09 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1u18 n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u18 n GLY 94 N 1.37 0.66 3.72 4.83 0.00 -0.31 -5.05 105.19 110.42 1u18 n GLY 94 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1u18 n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u18 s ASN 95 N -2.89 6.79 -0.13 1.61 0.01 -1.26 -4.71 114.94 114.35 1u18 s ASN 95 Ca 0.00 2.42 -0.29 0.00 -0.71 0.00 0.00 52.86 54.27 1u18 s ASN 95 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1u18 s ASN 95 CO 0.00 -0.66 1.18 -0.69 -1.51 0.00 0.00 177.10 175.42 1u18 s VAL 96 N 0.83 4.38 -0.23 1.60 1.01 -1.26 -0.82 120.40 125.90 1u18 s VAL 96 Ca 0.63 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 64.19 1u18 s VAL 96 Cb -0.38 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 31.74 1u18 s VAL 96 CO 0.33 -0.08 -0.05 0.29 0.00 0.00 0.00 175.10 175.59 1u18 n LYS 97 N 5.89 0.63 -3.87 2.72 5.02 0.37 -4.89 118.16 124.04 1u18 n LYS 97 Ca 0.12 0.30 -0.26 0.00 -2.02 0.00 0.00 58.31 56.46 1u18 n LYS 97 Cb 0.46 -1.60 -0.17 0.00 -0.02 0.00 0.00 35.03 33.70 1u18 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u18 s VAL 98 N -2.49 0.85 1.00 -0.18 1.01 -0.92 -4.97 120.40 114.71 1u18 s VAL 98 Ca -0.32 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1u18 s VAL 98 Cb 0.10 -0.93 0.19 0.00 0.00 0.00 0.00 36.38 35.74 1u18 s VAL 98 CO 0.60 0.31 1.08 -1.81 0.00 0.00 0.00 175.10 175.28 1u18 s ASP 99 N 1.78 2.40 0.07 3.32 1.11 -1.26 -1.17 116.67 122.92 1u18 s ASP 99 Ca 0.05 1.59 -0.34 0.00 0.18 0.00 0.00 52.55 54.03 1u18 s ASP 99 Cb -0.13 -2.25 -0.13 0.00 1.07 0.00 0.00 42.92 41.48 1u18 s ASP 99 CO -0.07 -3.33 1.69 0.52 1.18 0.00 0.00 175.17 175.15 1u18 n VAL 100 N -4.34 0.21 -4.07 -1.27 0.31 -1.26 -4.74 118.33 103.16 1u18 n VAL 100 Ca 0.06 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1u18 n VAL 100 Cb 0.55 -1.66 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 1u18 n VAL 100 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u18 s THR 101 N 2.03 0.58 0.23 2.52 2.01 -1.26 -5.07 115.64 116.69 1u18 s THR 101 Ca 0.84 -1.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.55 1u18 s THR 101 Cb -0.68 -0.69 0.28 0.00 0.01 0.00 0.00 72.50 71.41 1u18 s THR 101 CO 0.43 -0.40 1.58 -1.28 -0.69 0.00 0.00 174.62 174.25 1u18 h SER 102 N 4.40 -1.05 -0.02 3.53 0.87 -1.99 -2.18 113.55 117.12 1u18 h SER 102 Ca -0.36 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1u18 h SER 102 Cb 1.20 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 1u18 h SER 102 CO 0.42 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.04 1u18 n GLY 103 N -1.50 -0.44 3.34 5.77 0.00 -1.26 -4.76 105.19 106.33 1u18 n GLY 103 Ca 0.10 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1u18 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u18 s ASN 104 N -1.92 5.72 -0.03 1.61 -0.87 -0.82 -2.77 114.94 115.86 1u18 s ASN 104 Ca 0.40 -1.15 -0.29 0.00 -1.57 0.00 0.00 52.86 50.25 1u18 s ASN 104 Cb 0.20 -2.02 0.08 0.00 -0.02 0.00 0.00 41.25 39.50 1u18 s ASN 104 CO 0.33 -0.44 0.75 -0.72 -2.57 0.00 0.00 177.10 174.45 1u18 s TYR 105 N 1.52 -0.55 0.14 2.20 -0.85 -0.54 -3.68 117.35 115.59 1u18 s TYR 105 Ca 0.02 0.79 0.08 0.00 -0.52 0.00 0.00 57.07 57.44 1u18 s TYR 105 Cb -0.20 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1u18 s TYR 105 CO 0.05 -0.60 -0.19 1.52 -1.52 0.00 0.00 175.55 174.82 1u18 s TYR 106 N -1.85 1.78 0.16 -3.49 -0.85 -0.47 -0.30 117.35 112.33 1u18 s TYR 106 Ca -0.05 -0.46 0.11 0.00 -0.52 0.00 0.00 57.07 56.15 1u18 s TYR 106 Cb -0.00 -0.92 -0.04 0.00 0.38 0.00 0.00 41.96 41.37 1u18 s TYR 106 CO 0.02 0.27 -0.22 0.95 -1.52 0.00 0.00 175.55 175.05 1u18 s THR 107 N -1.74 2.52 0.06 -3.49 -4.23 -0.68 -0.48 115.64 107.59 1u18 s THR 107 Ca 0.12 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1u18 s THR 107 Cb -0.07 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1u18 s THR 107 CO 0.06 -0.02 0.13 0.72 -0.54 0.00 0.00 174.62 174.97 1u18 s PHE 108 N -1.41 0.20 -0.05 3.99 -0.71 -0.51 -1.00 117.98 118.50 1u18 s PHE 108 Ca 0.19 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.54 1u18 s PHE 108 Cb -0.09 -0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.60 1u18 s PHE 108 CO 0.09 -0.45 -0.14 0.99 -1.34 0.00 0.00 175.22 174.38 1u18 s THR 109 N -3.26 1.19 -0.47 -4.49 2.01 -0.50 -1.28 115.64 108.84 1u18 s THR 109 Ca 0.00 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 1u18 s THR 109 Cb 0.02 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1u18 s THR 109 CO -0.08 0.35 0.82 -0.69 -0.69 0.00 0.00 174.62 174.34 1u18 s VAL 110 N 0.28 4.59 0.01 3.82 1.01 -0.30 -1.46 120.40 128.35 1u18 s VAL 110 Ca -0.07 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1u18 s VAL 110 Cb -0.12 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.66 1u18 s VAL 110 CO 0.02 -0.80 0.85 0.24 0.00 0.00 0.00 175.10 175.41 1u18 h MET 111 N 9.05 0.02 -2.77 2.72 2.86 -1.13 0.20 114.93 125.88 1u18 h MET 111 Ca -0.25 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.25 1u18 h MET 111 Cb 1.08 0.01 -0.20 0.00 0.06 0.00 0.00 31.60 32.55 1u18 h MET 111 CO 0.99 0.70 -0.17 -0.47 1.06 0.00 0.00 176.91 179.02 1u18 s TYR 112 N -2.63 -0.32 -0.10 -0.22 5.04 -1.01 -3.49 117.35 114.61 1u18 s TYR 112 Ca -0.04 0.59 -0.30 0.00 -2.44 0.00 0.00 57.07 54.88 1u18 s TYR 112 Cb 0.08 0.17 0.09 0.00 0.35 0.00 0.00 41.96 42.65 1u18 s TYR 112 CO 0.82 -0.41 0.79 0.00 -1.34 0.00 0.00 175.55 175.42 1u18 s ALA 113 N -1.04 -1.83 0.19 3.97 0.00 -1.26 -1.50 121.76 120.29 1u18 s ALA 113 Ca -0.11 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1u18 s ALA 113 Cb -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1u18 s ALA 113 CO 0.05 -0.35 0.27 -0.40 0.00 0.00 0.00 175.76 175.33 1u18 n ASP 114 N 0.91 -0.76 -0.22 0.00 5.68 -0.41 -4.96 116.55 116.78 1u18 n ASP 114 Ca -0.16 -2.00 0.16 0.00 -0.50 0.00 0.00 54.79 52.29 1u18 n ASP 114 Cb 0.57 1.40 0.48 0.00 -1.14 0.00 0.00 41.12 42.43 1u18 n ASP 114 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1u18 h ASP 115 N 1.05 0.46 0.00 -1.12 3.32 -2.01 -3.28 116.42 114.84 1u18 h ASP 115 Ca -0.15 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1u18 h ASP 115 Cb 0.63 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1u18 h ASP 115 CO 0.20 0.21 -1.52 -1.54 -1.72 0.00 0.00 179.24 174.87 1u18 n SER 116 N -4.51 2.46 -4.22 6.45 3.41 -1.26 -4.88 113.62 111.07 1u18 n SER 116 Ca 0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.65 1u18 n SER 116 Cb 0.58 1.45 -0.10 0.00 -0.26 0.00 0.00 64.21 65.88 1u18 n SER 116 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1u18 s SER 117 N -3.35 0.48 0.07 4.04 1.04 -1.24 -1.39 113.70 113.36 1u18 s SER 117 Ca -0.04 -1.34 -0.27 0.00 0.48 0.00 0.00 55.95 54.78 1u18 s SER 117 Cb 0.07 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.57 1u18 s SER 117 CO 0.46 -0.78 0.87 0.00 0.98 0.00 0.00 173.24 174.77 1u18 s ALA 118 N -4.02 -1.72 -0.06 5.32 0.00 -1.00 -1.29 121.76 118.99 1u18 s ALA 118 Ca 0.35 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1u18 s ALA 118 Cb 0.07 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1u18 s ALA 118 CO 0.10 -0.82 -0.07 -1.17 0.00 0.00 0.00 175.76 173.80 1u18 s LEU 119 N -2.67 1.40 0.07 0.00 2.96 -0.56 -0.88 118.68 118.99 1u18 s LEU 119 Ca 0.07 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1u18 s LEU 119 Cb -0.01 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1u18 s LEU 119 CO -0.06 -0.03 -0.14 0.27 -1.32 0.00 0.00 176.35 175.07 1u18 s ILE 120 N 0.92 1.11 -0.04 6.68 -4.36 -0.79 -0.75 121.20 123.95 1u18 s ILE 120 Ca -0.11 -1.33 -0.02 0.00 -0.26 0.00 0.00 60.65 58.93 1u18 s ILE 120 Cb -0.15 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 1u18 s ILE 120 CO 0.01 -0.25 0.09 -2.28 0.24 0.00 0.00 174.94 172.75 1u18 s HIS 121 N -1.35 3.36 0.11 1.37 5.65 -0.54 -1.96 115.29 121.94 1u18 s HIS 121 Ca -0.01 0.29 0.06 0.00 0.25 0.00 0.00 55.06 55.64 1u18 s HIS 121 Cb -0.10 -1.80 -0.04 0.00 -1.18 0.00 0.00 32.58 29.47 1u18 s HIS 121 CO 0.02 0.59 -0.15 0.95 -0.65 0.00 0.00 174.74 175.50 1u18 s THR 122 N -1.11 1.35 -0.07 0.89 -4.23 -0.73 -1.41 115.64 110.33 1u18 s THR 122 Ca 0.20 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1u18 s THR 122 Cb -0.12 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.32 1u18 s THR 122 CO 0.10 -0.32 0.03 0.00 -0.54 0.00 0.00 174.62 173.89 1u18 s LEU 124 N 2.06 3.68 -0.11 0.00 2.96 -1.25 -1.69 118.68 124.32 1u18 s LEU 124 Ca 0.05 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1u18 s LEU 124 Cb -0.13 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1u18 s LEU 124 CO -0.05 0.25 -0.23 -1.00 -1.32 0.00 0.00 176.35 174.01 1u18 s HIS 125 N -0.12 2.61 -0.03 5.38 3.76 0.60 -1.20 115.29 126.28 1u18 s HIS 125 Ca 0.06 -1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 53.85 1u18 s HIS 125 Cb -0.12 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.85 1u18 s HIS 125 CO 0.02 -0.46 0.06 0.21 -0.85 0.00 0.00 174.74 173.71 1u18 s LYS 126 N 0.48 -0.02 -1.46 1.40 2.47 -0.87 -1.46 119.74 120.27 1u18 s LYS 126 Ca -0.15 0.26 -0.09 0.00 -1.56 0.00 0.00 55.97 54.43 1u18 s LYS 126 Cb -0.17 -0.28 0.05 0.00 -1.46 0.00 0.00 37.83 35.97 1u18 s LYS 126 CO 0.06 -0.20 0.77 0.41 0.16 0.00 0.00 175.35 176.55 1u18 n GLY 127 N 4.40 -0.51 4.18 5.54 0.00 -1.25 -2.23 105.19 115.31 1u18 n GLY 127 Ca -0.23 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1u18 n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u18 n ASN 128 N -2.63 0.00 -4.84 1.61 4.13 -1.11 -4.99 115.26 107.43 1u18 n ASN 128 Ca -0.03 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.88 1u18 n ASN 128 Cb 0.57 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 38.20 1u18 n ASN 128 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1u18 s LYS 129 N 0.00 4.03 -0.23 3.52 -2.85 -0.95 -5.05 119.74 118.21 1u18 s LYS 129 Ca 0.00 0.56 -0.28 0.00 -1.00 0.00 0.00 55.97 55.25 1u18 s LYS 129 Cb 0.00 -2.91 0.01 0.00 -2.06 0.00 0.00 37.83 32.87 1u18 s LYS 129 CO 0.00 0.45 1.00 0.34 0.10 0.00 0.00 175.35 177.25 1u18 s ASP 130 N -1.73 7.05 0.00 0.03 -1.08 -1.26 -2.06 116.67 117.62 1u18 s ASP 130 Ca 0.39 1.31 0.20 0.00 -0.52 0.00 0.00 52.55 53.93 1u18 s ASP 130 Cb -0.15 -2.52 0.53 0.00 -1.46 0.00 0.00 42.92 39.32 1u18 s ASP 130 CO 0.19 -0.65 1.44 0.18 0.52 0.00 0.00 175.17 176.85 1u18 n LEU 131 N 6.28 2.78 0.00 -1.34 7.99 -0.34 -4.62 117.00 127.75 1u18 n LEU 131 Ca 0.11 -1.28 0.00 0.00 -0.01 0.00 0.00 56.01 54.83 1u18 n LEU 131 Cb 0.46 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1u18 n LEU 131 CO 0.51 0.64 0.00 0.61 -1.51 0.00 0.00 177.39 177.64 1u18 n GLY 132 N 1.35 -0.12 3.77 -0.72 0.00 -1.26 -4.71 105.19 103.50 1u18 n GLY 132 Ca 0.18 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 1u18 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u18 s ASP 133 N -1.51 7.33 -0.06 1.61 1.01 -1.26 -3.86 116.67 119.93 1u18 s ASP 133 Ca 0.00 1.98 -0.03 0.00 0.71 0.00 0.00 52.55 55.21 1u18 s ASP 133 Cb 0.00 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.37 1u18 s ASP 133 CO 0.00 -0.07 0.06 -0.22 0.21 0.00 0.00 175.17 175.15 1u18 s LEU 134 N -1.77 0.19 -0.08 1.23 0.20 -0.86 -1.55 118.68 116.03 1u18 s LEU 134 Ca 0.48 -0.05 -0.14 0.00 0.69 0.00 0.00 54.13 55.11 1u18 s LEU 134 Cb -0.24 -0.17 -0.05 0.00 -0.43 0.00 0.00 46.19 45.31 1u18 s LEU 134 CO 0.30 -0.27 0.34 -0.31 -0.29 0.00 0.00 176.35 176.12 1u18 s TYR 135 N 2.16 3.60 -0.06 5.38 2.02 -0.29 -1.78 117.35 128.38 1u18 s TYR 135 Ca 0.04 0.79 0.03 0.00 -0.37 0.00 0.00 57.07 57.57 1u18 s TYR 135 Cb -0.13 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.15 1u18 s TYR 135 CO -0.04 0.47 -0.15 0.00 -1.57 0.00 0.00 175.55 174.25 1u18 s ALA 136 N -0.37 1.47 -0.11 3.71 0.00 -0.83 -0.96 121.76 124.67 1u18 s ALA 136 Ca 0.20 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 1u18 s ALA 136 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1u18 s ALA 136 CO 0.09 0.20 0.52 0.08 0.00 0.00 0.00 175.76 176.64 1u18 s VAL 137 N 0.38 5.16 0.20 0.00 1.01 0.07 -1.89 120.40 125.33 1u18 s VAL 137 Ca -0.11 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.00 1u18 s VAL 137 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1u18 s VAL 137 CO 0.04 0.31 -0.04 -0.76 0.00 0.00 0.00 175.10 174.65 1u18 s LEU 138 N 0.65 3.13 -0.04 3.92 1.02 -0.06 -0.99 118.68 126.31 1u18 s LEU 138 Ca 0.28 -0.55 -0.22 0.00 0.02 0.00 0.00 54.13 53.66 1u18 s LEU 138 Cb -0.16 -1.76 0.05 0.00 0.02 0.00 0.00 46.19 44.34 1u18 s LEU 138 CO 0.12 0.07 0.49 0.21 0.02 0.00 0.00 176.35 177.26 1u18 s ASN 139 N -3.12 -0.43 0.00 2.29 3.84 -0.66 -2.38 114.94 114.48 1u18 s ASN 139 Ca 0.28 0.44 0.18 0.00 0.21 0.00 0.00 52.86 53.96 1u18 s ASN 139 Cb -0.08 0.47 0.79 0.00 -0.55 0.00 0.00 41.25 41.87 1u18 s ASN 139 CO 0.18 -0.50 1.58 0.54 -2.79 0.00 0.00 177.10 176.10 1u18 n ARG 140 N 1.20 0.03 -4.54 0.43 1.74 -0.48 -0.92 116.66 114.13 1u18 n ARG 140 Ca -0.20 0.18 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 1u18 n ARG 140 Cb 0.56 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.34 1u18 n ARG 140 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1u18 s ASN 141 N -2.95 1.83 0.52 0.55 3.84 -1.26 -4.84 114.94 112.62 1u18 s ASN 141 Ca 0.10 -0.30 0.27 0.00 0.21 0.00 0.00 52.86 53.13 1u18 s ASN 141 Cb 0.12 -0.84 1.40 0.00 -0.55 0.00 0.00 41.25 41.38 1u18 s ASN 141 CO 0.32 0.02 2.05 0.07 -2.79 0.00 0.00 177.10 176.78 1u18 h LYS 142 N 7.07 0.00 -0.57 0.43 2.10 -1.94 -3.12 116.57 120.54 1u18 h LYS 142 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1u18 h LYS 142 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1u18 h LYS 142 CO 0.47 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.80 1u18 n ASP 143 N -3.63 4.00 -4.74 7.07 8.00 -1.26 -4.87 116.55 121.11 1u18 n ASP 143 Ca -0.02 -2.24 -0.39 0.00 0.71 0.00 0.00 54.79 52.85 1u18 n ASP 143 Cb 0.25 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.83 1u18 n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u18 s THR 144 N -1.45 5.03 0.39 -3.53 2.01 -1.18 -5.06 115.64 111.83 1u18 s THR 144 Ca 0.43 1.20 -0.21 0.00 0.31 0.00 0.00 61.69 63.42 1u18 s THR 144 Cb 0.26 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1u18 s THR 144 CO 0.24 0.36 0.91 0.20 -0.69 0.00 0.00 174.62 175.63 1u18 s ASN 145 N 0.25 6.99 0.06 3.53 0.01 -1.26 -4.95 114.94 119.56 1u18 s ASN 145 Ca 0.31 1.64 -0.31 0.00 -0.71 0.00 0.00 52.86 53.79 1u18 s ASN 145 Cb -0.17 -2.52 -0.10 0.00 0.41 0.00 0.00 41.25 38.88 1u18 s ASN 145 CO 0.15 -0.27 1.93 0.00 -1.51 0.00 0.00 177.10 177.40 1u18 n ALA 146 N -0.34 1.74 -1.93 0.60 0.00 -1.26 -4.96 120.51 114.36 1u18 n ALA 146 Ca 0.05 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 1u18 n ALA 146 Cb 0.53 -2.65 0.16 0.00 0.00 0.00 0.00 19.45 17.49 1u18 n ALA 146 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u18 s GLY 147 N 3.94 1.74 0.38 0.00 0.00 -1.26 -4.84 107.32 107.28 1u18 s GLY 147 Ca 0.87 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 44.54 1u18 s GLY 147 CO 0.41 -0.39 2.01 -0.55 0.00 0.00 0.00 173.10 174.58 1u18 h ASP 148 N -1.49 0.58 -0.13 1.64 3.32 -1.98 -2.01 116.42 116.33 1u18 h ASP 148 Ca -0.45 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1u18 h ASP 148 Cb 1.26 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1u18 h ASP 148 CO 0.44 0.45 -0.06 0.11 -1.72 0.00 0.00 179.24 178.46 1u18 h LYS 149 N 0.67 0.28 -0.09 3.56 1.57 -1.99 -0.52 116.57 120.05 1u18 h LYS 149 Ca 0.18 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1u18 h LYS 149 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1u18 h LYS 149 CO -0.03 0.61 -0.70 -0.24 -0.57 0.00 0.00 179.45 178.52 1u18 h VAL 150 N -0.06 1.38 -0.64 0.50 3.04 -1.92 -2.13 116.25 116.41 1u18 h VAL 150 Ca 0.03 -2.09 -0.01 0.00 -1.01 0.00 0.00 66.70 63.62 1u18 h VAL 150 Cb 0.52 2.07 -0.03 0.00 -2.01 0.00 0.00 31.29 31.84 1u18 h VAL 150 CO 0.02 0.63 0.34 0.11 -1.01 0.00 0.00 177.57 177.66 1u18 h LYS 151 N 0.27 0.89 -0.73 4.17 1.57 -1.34 -0.06 116.57 121.34 1u18 h LYS 151 Ca -0.02 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1u18 h LYS 151 Cb 1.26 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 1u18 h LYS 151 CO 0.12 0.66 0.47 0.78 -0.57 0.00 0.00 179.45 180.91 1u18 h GLY 152 N 0.96 1.03 1.14 3.86 0.00 -0.77 -1.82 103.07 107.47 1u18 h GLY 152 Ca 0.23 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1u18 h GLY 152 CO -0.04 0.34 0.12 0.00 0.00 0.00 0.00 176.54 176.96 1u18 h ALA 153 N 1.28 0.98 -0.48 3.60 0.00 -0.61 0.21 119.26 124.24 1u18 h ALA 153 Ca 0.28 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1u18 h ALA 153 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1u18 h ALA 153 CO -0.08 0.65 0.26 0.28 0.00 0.00 0.00 179.25 180.36 1u18 h VAL 154 N 0.99 0.99 -0.32 0.00 2.07 -0.79 -1.30 116.25 117.89 1u18 h VAL 154 Ca 0.20 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1u18 h VAL 154 Cb 0.41 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1u18 h VAL 154 CO 0.01 0.09 0.01 0.74 0.02 0.00 0.00 177.57 178.44 1u18 h THR 155 N 0.51 1.25 0.00 2.57 2.02 -0.47 -2.45 112.91 116.35 1u18 h THR 155 Ca 0.20 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1u18 h THR 155 Cb 0.08 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1u18 h THR 155 CO -0.13 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1u18 h ALA 156 N 0.86 1.00 -0.28 6.16 0.00 -0.29 -0.29 119.26 126.42 1u18 h ALA 156 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u18 h ALA 156 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1u18 h ALA 156 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1u18 n ALA 157 N -2.00 2.48 -3.53 0.00 0.00 -0.52 -4.93 120.51 112.01 1u18 n ALA 157 Ca -0.02 -0.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.60 1u18 n ALA 157 Cb 0.12 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 18.63 1u18 n ALA 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u18 n SER 158 N 0.49 -5.79 -4.58 0.00 7.64 -0.12 -5.03 113.62 106.23 1u18 n SER 158 Ca 0.14 -0.52 -0.26 0.00 1.01 0.00 0.00 58.87 59.24 1u18 n SER 158 Cb 0.33 -4.85 -0.11 0.00 -1.01 0.00 0.00 64.21 58.58 1u18 n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u18 s LEU 159 N -6.95 2.74 -0.14 -3.43 1.43 -1.04 -5.05 118.68 106.24 1u18 s LEU 159 Ca 0.51 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1u18 s LEU 159 Cb -0.22 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1u18 s LEU 159 CO 0.70 -0.44 -0.14 -0.54 0.23 0.00 0.00 176.35 176.16 1u18 s LYS 160 N -3.73 3.33 0.47 1.70 -0.14 -1.26 -4.20 119.74 115.91 1u18 s LYS 160 Ca 0.35 -0.71 0.20 0.00 -1.36 0.00 0.00 55.97 54.45 1u18 s LYS 160 Cb 0.09 -2.62 1.16 0.00 -1.68 0.00 0.00 37.83 34.77 1u18 s LYS 160 CO 0.17 0.16 2.00 0.35 -0.76 0.00 0.00 175.35 177.27 1u18 h PHE 161 N 6.88 0.00 -0.99 3.18 3.57 -1.93 -0.02 116.94 127.63 1u18 h PHE 161 Ca -0.27 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.44 1u18 h PHE 161 Cb 1.21 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.85 1u18 h PHE 161 CO 0.50 0.18 0.62 1.03 -2.23 0.00 0.00 178.31 178.42 1u18 h SER 162 N 0.00 0.62 1.25 0.41 0.87 -2.03 -1.64 113.55 113.03 1u18 h SER 162 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1u18 h SER 162 Cb 0.38 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1u18 h SER 162 CO 0.02 0.19 0.00 0.47 -0.53 0.00 0.00 176.83 176.99 1u18 n ASP 163 N -4.69 0.47 -4.79 6.23 8.00 -0.02 -4.89 116.55 116.87 1u18 n ASP 163 Ca 0.23 0.55 -0.35 0.00 0.71 0.00 0.00 54.79 55.93 1u18 n ASP 163 Cb 0.69 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1u18 n ASP 163 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1u18 s PHE 164 N -3.06 3.06 -0.21 1.24 0.40 -0.62 -4.84 117.98 113.96 1u18 s PHE 164 Ca 0.12 1.59 -0.08 0.00 -0.60 0.00 0.00 56.93 57.96 1u18 s PHE 164 Cb 0.15 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.51 1u18 s PHE 164 CO 0.56 -0.86 0.08 0.42 0.70 0.00 0.00 175.22 176.12 1u18 s ILE 165 N -1.82 4.74 0.11 0.64 1.01 0.23 -4.86 121.20 121.26 1u18 s ILE 165 Ca 0.64 -0.04 -0.23 0.00 0.00 0.00 0.00 60.65 61.02 1u18 s ILE 165 Cb -0.20 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.03 1u18 s ILE 165 CO 0.24 0.41 0.68 -0.55 0.00 0.00 0.00 174.94 175.72 1u18 s SER 166 N 0.82 7.22 0.00 3.58 0.15 -1.26 -1.36 113.70 122.84 1u18 s SER 166 Ca 0.04 1.44 0.21 0.00 0.70 0.00 0.00 55.95 58.35 1u18 s SER 166 Cb -0.13 -2.43 0.53 0.00 -1.71 0.00 0.00 66.02 62.27 1u18 s SER 166 CO 0.02 0.21 1.44 0.35 1.20 0.00 0.00 173.24 176.47 1u18 n THR 167 N 1.82 0.50 -0.13 6.45 -2.24 -0.45 -4.68 114.28 115.55 1u18 n THR 167 Ca -0.07 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 60.96 1u18 n THR 167 Cb 0.50 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1u18 n THR 167 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1u18 h LYS 168 N 3.67 0.55 -1.24 -0.78 3.64 -1.90 -3.18 116.57 117.34 1u18 h LYS 168 Ca 0.00 -0.08 -0.59 0.00 -1.27 0.00 0.00 60.65 58.72 1u18 h LYS 168 Cb 0.82 -0.10 -0.41 0.00 -0.41 0.00 0.00 32.23 32.12 1u18 h LYS 168 CO 0.00 0.48 -0.64 -0.25 -2.27 0.00 0.00 179.45 176.77 1u18 n ASP 169 N -4.71 4.99 -1.13 4.20 8.00 -1.26 -4.69 116.55 121.94 1u18 n ASP 169 Ca -0.00 -3.74 0.08 0.00 0.71 0.00 0.00 54.79 51.84 1u18 n ASP 169 Cb 0.10 -0.46 0.28 0.00 -0.02 0.00 0.00 41.12 41.02 1u18 n ASP 169 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1u18 n ASN 170 N -0.58 4.06 -3.61 -2.24 4.05 -1.20 -4.96 115.26 110.79 1u18 n ASN 170 Ca 0.42 -2.55 -0.24 0.00 0.45 0.00 0.00 54.58 52.66 1u18 n ASN 170 Cb 0.76 -0.48 0.08 0.00 1.23 0.00 0.00 39.78 41.36 1u18 n ASN 170 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1u18 n LYS 171 N 0.40 -7.77 -2.38 1.20 4.01 -1.26 -4.77 118.16 107.58 1u18 n LYS 171 Ca 0.21 0.82 -0.38 0.00 -0.51 0.00 0.00 58.31 58.44 1u18 n LYS 171 Cb 0.79 -5.86 -0.03 0.00 -0.51 0.00 0.00 35.03 29.42 1u18 n LYS 171 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u18 s GLU 173 N -2.20 1.07 0.45 0.00 0.41 -1.26 -5.15 118.70 112.01 1u18 s GLU 173 Ca 0.55 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 54.41 1u18 s GLU 173 Cb -0.29 -1.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.94 1u18 s GLU 173 CO 0.36 0.28 0.03 0.71 -0.49 0.00 0.00 175.26 176.15 1u18 s TYR 174 N -0.72 2.07 -0.43 1.61 1.51 -1.26 -4.81 117.35 115.32 1u18 s TYR 174 Ca 0.04 -0.91 0.07 0.00 -1.01 0.00 0.00 57.07 55.25 1u18 s TYR 174 Cb -0.07 -1.57 0.23 0.00 -0.11 0.00 0.00 41.96 40.43 1u18 s TYR 174 CO 0.01 0.21 0.62 -3.47 -1.11 0.00 0.00 175.55 171.80 1u18 n ASP 175 N -1.12 -1.17 0.05 2.29 2.03 -1.26 -5.00 116.55 112.38 1u18 n ASP 175 Ca -0.11 -2.83 0.01 0.00 0.52 0.00 0.00 54.79 52.37 1u18 n ASP 175 Cb 0.67 0.31 0.33 0.00 -0.72 0.00 0.00 41.12 41.71 1u18 n ASP 175 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1u18 h ASN 176 N 4.37 0.37 0.37 1.67 -0.26 -1.99 -1.53 115.58 118.59 1u18 h ASN 176 Ca 0.04 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1u18 h ASN 176 Cb 0.95 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1u18 h ASN 176 CO 0.36 0.49 -0.27 0.58 -1.06 0.00 0.00 177.43 177.54 1u18 h VAL 177 N 0.37 0.45 -0.99 2.81 2.07 -1.99 0.40 116.25 119.38 1u18 h VAL 177 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1u18 h VAL 177 Cb 0.38 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1u18 h VAL 177 CO 0.02 0.00 0.65 0.28 0.02 0.00 0.00 177.57 178.54 1u18 h SER 178 N -0.63 1.10 -0.38 0.57 0.02 -1.86 -1.81 113.55 110.57 1u18 h SER 178 Ca -0.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1u18 h SER 178 Cb 0.54 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1u18 h SER 178 CO 0.01 0.77 0.15 0.25 -1.14 0.00 0.00 176.83 176.88 1u18 h LEU 179 N 1.28 0.52 -0.76 5.07 6.46 -0.95 -1.98 115.31 124.95 1u18 h LEU 179 Ca 0.38 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1u18 h LEU 179 Cb -0.06 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 1u18 h LEU 179 CO -0.11 0.54 -0.12 0.11 -0.62 0.00 0.00 178.44 178.24 1u18 h LYS 180 N 0.46 0.81 0.00 1.25 1.57 -0.73 -3.11 116.57 116.82 1u18 h LYS 180 Ca 0.13 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1u18 h LYS 180 Cb 0.18 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1u18 h LYS 180 CO -0.01 0.89 -0.15 0.66 -0.57 0.00 0.00 179.45 180.27 1u18 h SER 181 N 0.73 0.00 0.44 0.86 4.64 -1.07 -2.98 113.55 116.17 1u18 h SER 181 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1u18 h SER 181 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1u18 h SER 181 CO 0.04 0.15 0.00 -0.07 -0.87 0.00 0.00 176.83 176.08 1u18 h LEU 182 N 0.00 0.00 -2.21 5.97 3.38 -1.29 -2.73 115.31 118.43 1u18 h LEU 182 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1u18 h LEU 182 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1u18 h LEU 182 CO 0.02 0.00 0.25 -0.07 0.09 0.00 0.00 178.44 178.73 1u18 h LEU 183 N 0.00 0.00 -0.95 1.67 4.07 -1.65 -1.28 115.31 117.17 1u18 h LEU 183 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1u18 h LEU 183 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1u18 h LEU 183 CO 0.00 0.00 -0.15 0.35 -1.08 0.00 0.00 178.44 177.56 1u18 n THR 184 N -3.59 0.00 0.62 0.22 -2.24 -1.03 -4.74 114.28 103.52 1u18 n THR 184 Ca 0.02 -0.25 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1u18 n THR 184 Cb 0.36 0.71 0.06 0.00 -2.10 0.00 0.00 70.33 69.37 1u18 n THR 184 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79