#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s GLN 3 N 0.00 2.11 0.01 5.31 -2.07 -1.26 -3.72 119.66 120.04 2uua s GLN 3 Ca 0.00 -1.57 -0.08 0.00 -1.82 0.00 0.00 55.36 51.89 2uua s GLN 3 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 2uua s GLN 3 CO 0.00 -0.95 0.15 0.71 -1.32 0.00 0.00 175.29 173.89 2uua s TYR 4 N -2.61 0.04 0.19 9.60 2.02 0.80 -4.93 117.35 122.46 2uua s TYR 4 Ca 0.21 -0.15 0.10 0.00 -0.37 0.00 0.00 57.07 56.86 2uua s TYR 4 Cb -0.03 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.44 2uua s TYR 4 CO 0.15 -0.32 -0.19 -0.47 -1.57 0.00 0.00 175.55 173.15 2uua s TYR 5 N -1.61 1.98 0.12 2.71 5.04 -1.26 -0.54 117.35 123.78 2uua s TYR 5 Ca -0.13 -0.44 -0.17 0.00 -2.44 0.00 0.00 57.07 53.90 2uua s TYR 5 Cb -0.06 -0.96 0.04 0.00 0.35 0.00 0.00 41.96 41.33 2uua s TYR 5 CO 0.01 0.42 0.42 0.20 -1.34 0.00 0.00 175.55 175.26 2uua s GLY 6 N -2.83 -0.30 -0.11 8.97 0.00 -1.00 -2.87 107.32 109.17 2uua s GLY 6 Ca 0.19 0.03 0.07 0.00 0.00 0.00 0.00 44.72 45.02 2uua s GLY 6 CO 0.08 -0.23 -0.01 2.41 0.00 0.00 0.00 173.10 175.36 2uua n THR 7 N -0.16 0.73 -1.23 0.90 -1.04 -1.26 -2.85 114.28 109.37 2uua n THR 7 Ca -0.16 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2uua n THR 7 Cb 0.63 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2uua n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2uua n GLY 8 N 2.49 0.00 3.02 3.41 0.00 -1.26 -2.90 105.19 109.95 2uua n GLY 8 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2uua n GLY 8 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2uua s ARG 9 N -0.31 0.40 -0.30 1.61 3.52 -1.26 -1.41 118.95 121.20 2uua s ARG 9 Ca 0.00 -0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2uua s ARG 9 Cb 0.00 0.14 0.18 0.00 -1.56 0.00 0.00 34.95 33.71 2uua s ARG 9 CO 0.00 -0.07 0.84 0.50 -0.81 0.00 0.00 175.30 175.76 2uua s ARG 10 N -2.06 0.37 -0.95 5.12 6.06 0.14 -4.47 118.95 123.16 2uua s ARG 10 Ca -0.10 0.70 -0.09 0.00 -2.50 0.00 0.00 55.73 53.73 2uua s ARG 10 Cb -0.06 0.39 -0.01 0.00 0.06 0.00 0.00 34.95 35.34 2uua s ARG 10 CO -0.03 -0.36 0.74 1.17 -2.50 0.00 0.00 175.30 174.32 2uua n LYS 11 N 5.41 -1.42 -1.01 5.12 4.81 -1.26 -2.49 118.16 127.31 2uua n LYS 11 Ca -0.05 0.86 -0.00 0.00 -0.87 0.00 0.00 58.31 58.24 2uua n LYS 11 Cb 0.52 -4.41 -0.00 0.00 0.02 0.00 0.00 35.03 31.16 2uua n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2uua n GLU 12 N -3.08 -0.81 -5.05 1.64 4.07 -1.26 -4.71 120.64 111.43 2uua n GLU 12 Ca -0.11 0.24 -0.30 0.00 -0.06 0.00 0.00 57.16 56.93 2uua n GLU 12 Cb 0.59 -3.87 -0.17 0.00 -0.06 0.00 0.00 31.44 27.93 2uua n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2uua s ALA 13 N -1.62 1.94 0.04 4.31 0.00 -1.04 -2.66 121.76 122.72 2uua s ALA 13 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.20 2uua s ALA 13 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2uua s ALA 13 CO 0.00 0.24 -0.17 0.14 0.00 0.00 0.00 175.76 175.97 2uua s VAL 14 N 0.43 2.85 -0.07 0.00 -7.23 -1.10 -0.69 120.40 114.59 2uua s VAL 14 Ca -0.18 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2uua s VAL 14 Cb -0.17 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.60 2uua s VAL 14 CO 0.07 0.35 0.07 0.00 -0.31 0.00 0.00 175.10 175.28 2uua s ALA 15 N -0.92 0.28 -0.06 1.32 0.00 -0.50 -3.01 121.76 118.86 2uua s ALA 15 Ca 0.15 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2uua s ALA 15 Cb -0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2uua s ALA 15 CO 0.05 -0.64 1.15 1.03 0.00 0.00 0.00 175.76 177.35 2uua s ARG 16 N 2.16 4.38 -0.19 0.00 0.52 0.49 -4.06 118.95 122.25 2uua s ARG 16 Ca 0.04 1.60 0.01 0.00 -0.52 0.00 0.00 55.73 56.86 2uua s ARG 16 Cb -0.13 -3.54 0.04 0.00 0.52 0.00 0.00 34.95 31.84 2uua s ARG 16 CO -0.04 -0.40 -0.11 0.08 0.02 0.00 0.00 175.30 174.85 2uua s VAL 17 N 2.09 1.58 -0.28 3.52 1.01 -1.13 -2.08 120.40 125.10 2uua s VAL 17 Ca 0.54 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2uua s VAL 17 Cb -0.23 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.56 2uua s VAL 17 CO 0.21 0.22 -0.03 -0.36 0.00 0.00 0.00 175.10 175.15 2uua s PHE 18 N 1.44 3.21 -0.30 5.22 0.40 -0.53 -2.38 117.98 125.04 2uua s PHE 18 Ca 0.00 -1.82 -0.14 0.00 -0.60 0.00 0.00 56.93 54.38 2uua s PHE 18 Cb -0.15 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 2uua s PHE 18 CO -0.09 -0.79 0.31 -0.51 0.70 0.00 0.00 175.22 174.85 2uua s LEU 19 N 1.26 4.19 -0.06 -0.37 1.43 0.29 -1.81 118.68 123.62 2uua s LEU 19 Ca -0.04 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 2uua s LEU 19 Cb -0.19 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2uua s LEU 19 CO -0.02 -0.20 -0.21 -0.13 0.23 0.00 0.00 176.35 176.01 2uua s ARG 20 N 1.95 2.26 0.52 1.70 0.52 -0.20 -0.14 118.95 125.57 2uua s ARG 20 Ca 0.11 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.37 2uua s ARG 20 Cb -0.16 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.29 2uua s ARG 20 CO 0.11 0.30 0.37 -2.30 0.02 0.00 0.00 175.30 173.79 2uua n PRO 21 N 3.10 0.39 0.00 3.54 -0.02 -1.24 0.20 135.00 140.97 2uua n PRO 21 Ca -0.18 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2uua n PRO 21 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2uua n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uua n GLY 22 N 1.96 0.54 0.00 -1.23 0.00 0.16 -4.46 105.19 102.16 2uua n GLY 22 Ca 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2uua n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2uua n ASN 23 N 0.00 0.00 0.00 1.61 4.05 -1.26 -3.16 115.26 116.50 2uua n ASN 23 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2uua n ASN 23 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2uua n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2uua n GLY 24 N 0.74 0.22 3.73 8.20 0.00 -1.14 -2.11 105.19 114.83 2uua n GLY 24 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2uua n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uua s LYS 25 N 0.00 4.32 -0.11 1.61 -2.85 -1.26 -4.79 119.74 116.66 2uua s LYS 25 Ca 0.00 2.13 0.02 0.00 -1.00 0.00 0.00 55.97 57.13 2uua s LYS 25 Cb 0.00 -3.20 -0.01 0.00 -2.06 0.00 0.00 37.83 32.56 2uua s LYS 25 CO 0.00 -0.40 -0.19 0.08 0.10 0.00 0.00 175.35 174.93 2uua s VAL 26 N 0.68 2.49 -0.13 1.79 1.01 -1.26 -1.82 120.40 123.15 2uua s VAL 26 Ca 0.62 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2uua s VAL 26 Cb -0.38 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2uua s VAL 26 CO 0.34 0.55 -0.15 0.28 0.00 0.00 0.00 175.10 176.12 2uua s THR 27 N 0.27 1.59 -0.25 3.92 -1.32 0.12 -1.51 115.64 118.46 2uua s THR 27 Ca -0.14 -0.67 -0.05 0.00 -1.21 0.00 0.00 61.69 59.63 2uua s THR 27 Cb -0.17 -1.47 -0.00 0.00 -1.51 0.00 0.00 72.50 69.35 2uua s THR 27 CO 0.07 0.46 0.00 -0.69 -2.21 0.00 0.00 174.62 172.26 2uua s VAL 28 N 1.25 3.60 -1.30 5.08 1.01 -1.26 0.79 120.40 129.56 2uua s VAL 28 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2uua s VAL 28 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2uua s VAL 28 CO -0.07 0.28 0.13 0.59 0.00 0.00 0.00 175.10 176.04 2uua n ASN 29 N 4.82 -4.58 -2.83 3.32 3.02 0.16 -2.83 115.26 116.33 2uua n ASN 29 Ca -0.17 0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.39 2uua n ASN 29 Cb 0.50 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 2uua n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uua n GLY 30 N -0.98 -1.08 0.00 7.41 0.00 -1.26 -4.97 105.19 104.31 2uua n GLY 30 Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2uua n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2uua n GLN 31 N -1.75 0.19 -0.03 1.61 6.02 -1.13 -5.11 117.38 117.18 2uua n GLN 31 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2uua n GLN 31 Cb 0.51 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.65 2uua n GLN 31 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2uua n ASP 32 N -0.43 -0.96 0.00 1.08 4.64 -1.25 -4.37 116.55 115.27 2uua n ASP 32 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2uua n ASP 32 Cb 0.00 0.36 0.00 0.00 -1.04 0.00 0.00 41.12 40.44 2uua n ASP 32 CO 0.00 0.00 0.00 0.33 -0.82 0.00 0.00 177.20 176.71 2uua n PHE 33 N 1.35 0.00 0.34 -0.67 7.35 -0.57 0.13 117.46 125.39 2uua n PHE 33 Ca 0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 2uua n PHE 33 Cb 0.00 -0.00 0.89 0.00 0.35 0.00 0.00 39.48 40.72 2uua n PHE 33 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2uua h ASN 34 N 0.00 0.00 -0.01 -2.13 4.21 -1.90 0.25 115.58 116.00 2uua h ASN 34 Ca 0.00 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.27 2uua h ASN 34 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2uua h ASN 34 CO 0.00 0.00 -0.92 -0.08 -1.29 0.00 0.00 177.43 175.14 2uua h GLU 35 N 0.00 0.69 0.00 0.81 4.57 0.90 -2.96 114.58 118.59 2uua h GLU 35 Ca 0.00 -0.66 -0.18 0.00 -1.18 0.00 0.00 59.36 57.34 2uua h GLU 35 Cb 0.55 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 2uua h GLU 35 CO -0.00 1.26 -1.19 -0.92 -1.18 0.00 0.00 179.01 176.98 2uua h TYR 36 N 0.43 0.00 0.00 0.92 3.20 -0.27 -3.45 116.97 117.81 2uua h TYR 36 Ca -0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2uua h TYR 36 Cb 1.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.83 2uua h TYR 36 CO 0.09 0.70 0.00 1.19 -1.64 0.00 0.00 178.16 178.50 2uua n PHE 37 N -3.07 0.00 0.00 -3.82 0.99 0.53 -5.07 117.46 107.01 2uua n PHE 37 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 2uua n PHE 37 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.35 2uua n PHE 37 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2uua n GLN 38 N -0.88 0.00 0.00 -1.08 -0.06 -1.12 -3.99 117.38 110.25 2uua n GLN 38 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2uua n GLN 38 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2uua n GLN 38 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2uua n GLY 39 N 0.17 1.66 3.14 1.69 0.00 -1.26 -4.99 105.19 105.60 2uua n GLY 39 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2uua n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uua s LEU 40 N 0.00 4.45 0.46 0.99 1.43 -1.26 -4.97 118.68 119.79 2uua s LEU 40 Ca 0.00 -1.62 0.23 0.00 -1.03 0.00 0.00 54.13 51.70 2uua s LEU 40 Cb 0.00 -1.74 1.24 0.00 0.03 0.00 0.00 46.19 45.71 2uua s LEU 40 CO 0.00 -0.37 1.65 0.58 0.23 0.00 0.00 176.35 178.45 2uua h VAL 41 N 6.45 0.00 0.12 -1.59 2.07 -1.97 -3.04 116.25 118.29 2uua h VAL 41 Ca -0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2uua h VAL 41 Cb 1.05 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2uua h VAL 41 CO 0.59 0.00 -0.06 0.03 0.02 0.00 0.00 177.57 178.15 2uua h ARG 42 N 0.00 -0.16 0.00 1.57 2.47 -2.01 -3.39 114.38 112.86 2uua h ARG 42 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2uua h ARG 42 Cb 0.46 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2uua h ARG 42 CO 0.00 -0.10 0.00 0.00 0.56 0.00 0.00 179.97 180.43 2uua n ALA 43 N -2.12 0.00 -0.38 0.04 0.00 -1.15 0.13 120.51 117.02 2uua n ALA 43 Ca -0.02 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.75 2uua n ALA 43 Cb 0.06 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.07 2uua n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2uua n VAL 44 N -2.41 -0.22 0.11 0.00 0.31 -1.26 -0.41 118.33 114.44 2uua n VAL 44 Ca 0.00 1.53 -0.16 0.00 -0.01 0.00 0.00 64.34 65.69 2uua n VAL 44 Cb 0.00 -2.50 -0.10 0.00 -0.91 0.00 0.00 33.84 30.33 2uua n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uua h ALA 45 N 1.36 -0.99 -0.79 3.52 0.00 -0.61 -3.02 119.26 118.73 2uua h ALA 45 Ca 0.73 -0.11 0.31 0.00 0.00 0.00 0.00 54.91 55.84 2uua h ALA 45 Cb 2.32 0.90 -0.12 0.00 0.00 0.00 0.00 17.79 20.90 2uua h ALA 45 CO -0.41 -1.12 0.46 0.00 0.00 0.00 0.00 179.25 178.17 2uua n ALA 46 N -2.93 0.80 0.65 0.00 0.00 0.45 0.19 120.51 119.68 2uua n ALA 46 Ca -0.08 0.67 0.07 0.00 0.00 0.00 0.00 53.44 54.10 2uua n ALA 46 Cb 0.41 -0.72 0.20 0.00 0.00 0.00 0.00 19.45 19.34 2uua n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2uua n LEU 47 N -4.40 2.29 -0.05 0.00 4.77 -1.14 -3.99 117.00 114.49 2uua n LEU 47 Ca 0.27 -1.14 -0.00 0.00 -0.03 0.00 0.00 56.01 55.11 2uua n LEU 47 Cb 0.97 -0.28 0.29 0.00 -2.33 0.00 0.00 43.42 42.07 2uua n LEU 47 CO 0.05 0.57 1.00 -0.08 -1.33 0.00 0.00 177.39 177.60 2uua h GLU 48 N 2.53 0.63 -0.07 3.23 4.57 0.21 -2.38 114.58 123.30 2uua h GLU 48 Ca 0.00 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2uua h GLU 48 Cb 0.58 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2uua h GLU 48 CO 0.00 0.58 0.06 -1.00 -1.18 0.00 0.00 179.01 177.47 2uua h PRO 49 N 0.62 0.00 0.55 0.92 0.13 -1.78 -1.84 132.00 130.60 2uua h PRO 49 Ca 0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 2uua h PRO 49 Cb 0.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.36 2uua h PRO 49 CO -0.00 0.00 -0.26 -0.07 -0.23 0.00 0.00 178.00 177.43 2uua h LEU 50 N 0.00 -0.62 -0.94 1.56 3.38 -1.75 -3.20 115.31 113.73 2uua h LEU 50 Ca 0.03 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.28 2uua h LEU 50 Cb 0.16 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 40.90 2uua h LEU 50 CO -0.00 -0.28 0.09 0.03 0.09 0.00 0.00 178.44 178.36 2uua h ARG 51 N -1.06 0.05 -1.03 1.13 3.08 -1.43 0.26 114.38 115.39 2uua h ARG 51 Ca -0.07 -0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.23 2uua h ARG 51 Cb 0.56 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.51 2uua h ARG 51 CO 0.12 0.04 0.66 0.00 -1.07 0.00 0.00 179.97 179.72 2uua h ALA 52 N 1.91 2.22 -0.07 0.04 0.00 -1.35 -1.95 119.26 120.07 2uua h ALA 52 Ca 0.58 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2uua h ALA 52 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2uua h ALA 52 CO -0.84 -0.61 0.00 1.33 0.00 0.00 0.00 179.25 179.13 2uua n VAL 53 N -4.62 0.11 -1.61 0.00 0.24 0.85 -4.99 118.33 108.32 2uua n VAL 53 Ca 0.25 -0.56 -0.07 0.00 -2.04 0.00 0.00 64.34 61.92 2uua n VAL 53 Cb 0.85 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 34.41 2uua n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2uua n ASP 54 N 0.80 -3.32 -1.15 -1.34 8.00 -0.73 -4.94 116.55 113.87 2uua n ASP 54 Ca 0.09 0.09 0.08 0.00 0.71 0.00 0.00 54.79 55.77 2uua n ASP 54 Cb 0.37 -1.96 0.28 0.00 -0.02 0.00 0.00 41.12 39.79 2uua n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uua n ALA 55 N 0.05 2.84 -0.36 2.24 0.00 -1.15 -4.58 120.51 119.55 2uua n ALA 55 Ca -0.08 -1.68 0.04 0.00 0.00 0.00 0.00 53.44 51.72 2uua n ALA 55 Cb 0.37 -0.78 0.20 0.00 0.00 0.00 0.00 19.45 19.25 2uua n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2uua h LEU 56 N 2.91 1.00 -5.10 0.00 6.46 -1.92 -2.61 115.31 116.05 2uua h LEU 56 Ca 0.00 0.02 -0.76 0.00 -0.12 0.00 0.00 57.88 57.01 2uua h LEU 56 Cb 1.27 -0.20 -0.28 0.00 -0.73 0.00 0.00 40.66 40.73 2uua h LEU 56 CO 0.17 0.62 0.95 0.61 -0.62 0.00 0.00 178.44 180.17 2uua n GLY 57 N -1.37 5.61 0.00 3.75 0.00 -1.26 -4.27 105.19 107.66 2uua n GLY 57 Ca 0.16 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.67 2uua n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uua n HIS 58 N -0.49 0.00 -4.18 1.61 8.25 -0.90 -4.79 115.22 114.73 2uua n HIS 58 Ca 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.82 2uua n HIS 58 Cb 0.26 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 2uua n HIS 58 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2uua s PHE 59 N 0.00 1.15 0.06 4.41 0.40 -1.21 0.35 117.98 123.15 2uua s PHE 59 Ca 0.00 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 55.84 2uua s PHE 59 Cb 0.00 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 2uua s PHE 59 CO 0.00 0.04 -0.21 -0.51 0.70 0.00 0.00 175.22 175.24 2uua s ASP 60 N -2.21 3.59 -0.07 1.36 1.01 0.13 -2.88 116.67 117.60 2uua s ASP 60 Ca 0.03 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 52.79 2uua s ASP 60 Cb -0.06 -0.47 0.01 0.00 1.01 0.00 0.00 42.92 43.42 2uua s ASP 60 CO 0.01 0.24 -0.11 0.00 0.21 0.00 0.00 175.17 175.52 2uua s ALA 61 N -0.94 1.20 -0.15 5.23 0.00 -0.76 -1.03 121.76 125.32 2uua s ALA 61 Ca 0.14 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 2uua s ALA 61 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 2uua s ALA 61 CO 0.05 0.07 0.19 -0.47 0.00 0.00 0.00 175.76 175.60 2uua s TYR 62 N 0.74 3.52 -0.00 0.00 5.04 -0.75 0.13 117.35 126.03 2uua s TYR 62 Ca -0.13 0.51 -0.00 0.00 -2.44 0.00 0.00 57.07 55.00 2uua s TYR 62 Cb -0.15 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2uua s TYR 62 CO 0.03 0.48 0.01 0.42 -1.34 0.00 0.00 175.55 175.15 2uua s ILE 63 N -0.28 -0.00 -0.12 3.14 1.01 0.24 -1.45 121.20 123.74 2uua s ILE 63 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2uua s ILE 63 Cb -0.12 -0.02 0.01 0.00 0.01 0.00 0.00 42.46 42.33 2uua s ILE 63 CO 0.03 0.00 -0.23 -0.89 0.00 0.00 0.00 174.94 173.85 2uua s THR 64 N 0.03 2.06 0.02 2.92 2.01 -0.89 0.37 115.64 122.16 2uua s THR 64 Ca -0.00 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.05 2uua s THR 64 Cb -0.00 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2uua s THR 64 CO -0.00 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.64 2uua s VAL 65 N 0.61 1.22 -0.28 3.82 1.01 -1.26 -0.38 120.40 125.13 2uua s VAL 65 Ca -0.12 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 2uua s VAL 65 Cb -0.17 -1.07 0.12 0.00 0.00 0.00 0.00 36.38 35.27 2uua s VAL 65 CO 0.03 0.16 0.94 0.00 0.00 0.00 0.00 175.10 176.23 2uua s ARG 66 N -0.84 0.50 0.00 2.72 1.70 -1.17 -4.97 118.95 116.90 2uua s ARG 66 Ca 0.04 0.74 0.00 0.00 -0.47 0.00 0.00 55.73 56.05 2uua s ARG 66 Cb -0.07 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 2uua s ARG 66 CO 0.01 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 2uua n GLY 67 N 3.19 2.30 4.56 3.88 0.00 -1.26 -2.70 105.19 115.17 2uua n GLY 67 Ca -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2uua n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 68 N 1.62 0.57 3.28 -0.02 0.00 -1.09 -3.57 105.19 105.98 2uua n GLY 68 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 2uua n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uua s GLY 69 N 0.00 1.38 0.37 -0.02 0.00 -1.26 -5.03 107.32 102.76 2uua s GLY 69 Ca 0.00 -1.67 0.12 0.00 0.00 0.00 0.00 44.72 43.17 2uua s GLY 69 CO 0.00 -1.60 1.84 0.50 0.00 0.00 0.00 173.10 173.84 2uua h LYS 70 N 2.59 0.57 0.00 2.90 1.57 -1.98 0.12 116.57 122.33 2uua h LYS 70 Ca -0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2uua h LYS 70 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2uua h LYS 70 CO 0.63 0.38 0.00 0.45 -0.57 0.00 0.00 179.45 180.34 2uua n SER 71 N -4.59 0.70 -0.08 0.86 2.88 -1.26 -0.35 113.62 111.78 2uua n SER 71 Ca 0.20 0.60 -0.15 0.00 -1.33 0.00 0.00 58.87 58.19 2uua n SER 71 Cb 0.60 -0.78 -0.09 0.00 -0.75 0.00 0.00 64.21 63.19 2uua n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2uua h GLY 72 N 3.65 0.00 0.01 0.46 0.00 -1.16 -3.28 103.07 102.75 2uua h GLY 72 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2uua h GLY 72 CO 0.00 0.00 0.04 1.46 0.00 0.00 0.00 176.54 178.04 2uua h GLN 73 N -1.00 0.15 -0.63 4.80 4.20 -0.98 0.28 115.11 121.93 2uua h GLN 73 Ca -0.16 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.66 2uua h GLN 73 Cb 0.97 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.60 2uua h GLN 73 CO -0.10 0.10 -0.18 0.82 -0.67 0.00 0.00 178.83 178.80 2uua h ILE 74 N 0.15 0.34 -0.19 2.54 2.04 -0.82 0.27 117.51 121.84 2uua h ILE 74 Ca 0.32 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.14 2uua h ILE 74 Cb 0.51 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2uua h ILE 74 CO -0.49 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.07 2uua h ASP 75 N -0.02 0.35 -0.27 1.72 3.32 -0.82 -1.82 116.42 118.88 2uua h ASP 75 Ca 0.30 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.05 2uua h ASP 75 Cb 0.48 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 2uua h ASP 75 CO -0.66 0.62 -0.49 0.00 -1.72 0.00 0.00 179.24 176.99 2uua h ALA 76 N 0.75 -0.67 -0.87 3.45 0.00 0.86 0.37 119.26 123.15 2uua h ALA 76 Ca 0.05 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.18 2uua h ALA 76 Cb 0.46 0.96 -0.13 0.00 0.00 0.00 0.00 17.79 19.07 2uua h ALA 76 CO 0.02 -0.99 0.31 0.82 0.00 0.00 0.00 179.25 179.41 2uua h ILE 77 N -0.45 0.41 -0.64 0.00 2.04 -0.48 0.58 117.51 118.97 2uua h ILE 77 Ca 0.08 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 65.97 2uua h ILE 77 Cb 0.63 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2uua h ILE 77 CO -0.50 0.06 0.44 0.50 0.00 0.00 0.00 178.15 178.64 2uua h LYS 78 N 0.30 0.27 0.04 2.37 3.64 0.61 -0.70 116.57 123.10 2uua h LYS 78 Ca 0.55 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2uua h LYS 78 Cb 1.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2uua h LYS 78 CO -0.58 0.18 -0.02 1.25 -2.27 0.00 0.00 179.45 178.01 2uua h LEU 79 N 0.28 -0.04 -0.43 5.20 6.46 0.88 -2.90 115.31 124.75 2uua h LEU 79 Ca 0.31 -0.60 0.07 0.00 -0.12 0.00 0.00 57.88 57.53 2uua h LEU 79 Cb 0.82 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.67 2uua h LEU 79 CO -0.07 0.71 -0.45 1.23 -0.62 0.00 0.00 178.44 179.25 2uua h GLY 80 N -0.93 -0.60 0.76 3.75 0.00 -0.92 1.14 103.07 106.27 2uua h GLY 80 Ca -0.01 0.57 0.16 0.00 0.00 0.00 0.00 47.33 48.06 2uua h GLY 80 CO 0.01 -0.17 0.46 -2.22 0.00 0.00 0.00 176.54 174.62 2uua h ILE 81 N -0.32 0.55 0.16 2.60 2.04 -1.26 1.57 117.51 122.86 2uua h ILE 81 Ca 0.14 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.66 2uua h ILE 81 Cb 0.58 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2uua h ILE 81 CO -0.60 0.00 -1.69 0.00 0.00 0.00 0.00 178.15 175.87 2uua h ALA 82 N 1.61 0.21 0.26 1.87 0.00 -0.03 -2.91 119.26 120.27 2uua h ALA 82 Ca 0.27 -1.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 2uua h ALA 82 Cb 1.19 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2uua h ALA 82 CO -0.00 1.08 -0.13 0.00 0.00 0.00 0.00 179.25 180.20 2uua h ARG 83 N 0.09 -0.34 -0.59 0.00 3.08 0.33 -2.66 114.38 114.29 2uua h ARG 83 Ca -0.31 0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.90 2uua h ARG 83 Cb 2.07 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 32.17 2uua h ARG 83 CO 0.17 0.01 0.41 0.00 -1.07 0.00 0.00 179.97 179.49 2uua h ALA 84 N -0.43 2.31 -0.09 0.04 0.00 0.23 -0.06 119.26 121.25 2uua h ALA 84 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2uua h ALA 84 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2uua h ALA 84 CO 0.06 -0.47 -0.46 1.25 0.00 0.00 0.00 179.25 179.64 2uua h LEU 85 N 0.18 0.23 -0.41 0.00 5.85 -1.42 -2.27 115.31 117.47 2uua h LEU 85 Ca 0.28 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2uua h LEU 85 Cb 0.87 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2uua h LEU 85 CO -0.05 0.66 0.00 0.52 -0.34 0.00 0.00 178.44 179.24 2uua n VAL 86 N -3.99 0.73 0.09 1.05 0.31 -0.05 -2.09 118.33 114.37 2uua n VAL 86 Ca -0.02 0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.34 2uua n VAL 86 Cb 0.51 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 32.48 2uua n VAL 86 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2uua h GLN 87 N 0.00 -0.23 -1.45 5.55 1.08 -1.25 -2.34 115.11 116.48 2uua h GLN 87 Ca 0.00 0.02 0.45 0.00 -1.45 0.00 0.00 58.65 57.66 2uua h GLN 87 Cb 0.48 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.86 2uua h GLN 87 CO 0.00 -0.15 0.98 -0.92 -0.95 0.00 0.00 178.83 177.79 2uua h TYR 88 N -0.38 0.34 -1.08 2.96 3.20 -1.44 -3.38 116.97 117.18 2uua h TYR 88 Ca -0.02 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.01 2uua h TYR 88 Cb 0.18 -0.08 -0.22 0.00 1.54 0.00 0.00 36.73 38.15 2uua h TYR 88 CO 0.09 -0.11 0.05 1.21 -1.64 0.00 0.00 178.16 177.75 2uua s ASN 89 N -4.48 -0.82 0.23 -2.11 2.47 -0.89 -5.02 114.94 104.33 2uua s ASN 89 Ca -0.07 0.88 0.24 0.00 0.42 0.00 0.00 52.86 54.32 2uua s ASN 89 Cb 0.28 1.83 0.94 0.00 -1.45 0.00 0.00 41.25 42.85 2uua s ASN 89 CO 0.84 -0.15 1.71 -0.81 -3.72 0.00 0.00 177.10 174.96 2uua n PRO 90 N 5.24 0.19 0.00 0.43 -0.04 -0.89 -1.97 135.00 137.96 2uua n PRO 90 Ca -0.08 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2uua n PRO 90 Cb 0.52 -1.84 0.57 0.00 -0.04 0.00 0.00 33.50 32.71 2uua n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2uua n ASP 91 N -2.19 0.00 0.11 3.54 9.92 -1.26 -2.48 116.55 124.18 2uua n ASP 91 Ca 0.03 0.21 0.13 0.00 -0.53 0.00 0.00 54.79 54.63 2uua n ASP 91 Cb 0.26 -0.39 0.42 0.00 -0.64 0.00 0.00 41.12 40.77 2uua n ASP 91 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2uua n TYR 92 N -1.39 0.91 -0.02 1.24 0.53 -0.83 -3.25 117.16 114.35 2uua n TYR 92 Ca 0.09 0.27 -0.13 0.00 -1.02 0.00 0.00 57.90 57.11 2uua n TYR 92 Cb 0.24 -0.95 -0.09 0.00 -1.03 0.00 0.00 39.34 37.51 2uua n TYR 92 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2uua h ARG 93 N 0.00 0.06 -1.09 -0.72 3.08 -1.68 0.13 114.38 114.16 2uua h ARG 93 Ca 0.00 -0.03 0.31 0.00 0.07 0.00 0.00 59.98 60.34 2uua h ARG 93 Cb 0.69 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 2uua h ARG 93 CO 0.00 0.48 1.00 0.00 -1.07 0.00 0.00 179.97 180.38 2uua h ALA 94 N 0.58 2.96 0.00 0.04 0.00 -1.74 0.79 119.26 121.90 2uua h ALA 94 Ca 0.01 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 2uua h ALA 94 Cb 0.47 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2uua h ALA 94 CO 0.00 -1.56 -2.34 1.63 0.00 0.00 0.00 179.25 176.98 2uua n LYS 95 N -3.66 0.58 0.20 0.00 4.76 -1.08 -4.48 118.16 114.48 2uua n LYS 95 Ca 0.24 0.15 0.14 0.00 -2.87 0.00 0.00 58.31 55.96 2uua n LYS 95 Cb 1.35 -1.46 0.47 0.00 -1.84 0.00 0.00 35.03 33.55 2uua n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2uua h LEU 96 N -0.11 0.00 0.57 -0.35 4.07 0.58 -3.35 115.31 116.72 2uua h LEU 96 Ca -0.54 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.40 2uua h LEU 96 Cb 1.78 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.53 2uua h LEU 96 CO -0.12 0.00 -0.28 0.50 -1.08 0.00 0.00 178.44 177.47 2uua h LYS 97 N 0.00 -0.74 -0.70 1.13 3.11 0.34 -2.21 116.57 117.49 2uua h LYS 97 Ca 0.00 0.05 0.20 0.00 -2.81 0.00 0.00 60.65 58.09 2uua h LYS 97 Cb 0.63 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.00 2uua h LYS 97 CO 0.00 -0.45 0.66 -1.35 -2.81 0.00 0.00 179.45 175.49 2uua h PRO 98 N -1.13 0.00 -0.01 1.90 0.11 -1.80 1.56 132.00 132.63 2uua h PRO 98 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2uua h PRO 98 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2uua h PRO 98 CO 0.13 0.00 -0.38 1.28 -0.21 0.00 0.00 178.00 178.81 2uua n LEU 99 N -3.80 0.99 -1.74 2.35 7.99 -1.20 -4.98 117.00 116.62 2uua n LEU 99 Ca 0.14 -0.26 -0.13 0.00 -0.01 0.00 0.00 56.01 55.75 2uua n LEU 99 Cb 0.91 -0.14 -0.04 0.00 -0.11 0.00 0.00 43.42 44.04 2uua n LEU 99 CO 0.31 0.20 -0.14 0.61 -1.51 0.00 0.00 177.39 176.85 2uua n GLY 100 N 1.40 0.66 0.05 -0.72 0.00 0.53 -4.79 105.19 102.32 2uua n GLY 100 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 2uua n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2uua n PHE 101 N -2.42 0.22 1.31 1.61 3.01 -1.19 -0.88 117.46 119.13 2uua n PHE 101 Ca -0.14 0.11 0.11 0.00 1.01 0.00 0.00 57.45 58.54 2uua n PHE 101 Cb 0.50 -0.67 0.42 0.00 -0.01 0.00 0.00 39.48 39.71 2uua n PHE 101 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2uua n LEU 102 N -1.72 1.59 -4.89 4.37 -0.00 -1.26 -4.47 117.00 110.62 2uua n LEU 102 Ca 0.00 -0.63 -0.34 0.00 -0.00 0.00 0.00 56.01 55.04 2uua n LEU 102 Cb 0.05 -0.08 -0.05 0.00 -0.00 0.00 0.00 43.42 43.34 2uua n LEU 102 CO 0.06 0.32 -0.03 -0.89 -0.00 0.00 0.00 177.39 176.85 2uua s THR 103 N -1.84 5.25 -0.35 1.47 2.01 -0.06 -5.07 115.64 117.05 2uua s THR 103 Ca 0.34 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 2uua s THR 103 Cb 0.18 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 2uua s THR 103 CO 0.28 0.28 0.26 -0.60 -0.69 0.00 0.00 174.62 174.15 2uua s ARG 104 N -1.99 3.41 -0.53 4.92 3.00 -1.26 -5.00 118.95 121.50 2uua s ARG 104 Ca 0.31 -0.69 -0.26 0.00 -1.00 0.00 0.00 55.73 54.09 2uua s ARG 104 Cb -0.13 -3.84 -0.08 0.00 0.00 0.00 0.00 34.95 30.90 2uua s ARG 104 CO 0.19 -0.51 2.41 0.34 0.00 0.00 0.00 175.30 177.73 2uua s ASP 105 N 1.72 4.35 0.36 -2.12 2.15 -1.26 -4.80 116.67 117.07 2uua s ASP 105 Ca 0.06 0.93 0.27 0.00 0.43 0.00 0.00 52.55 54.25 2uua s ASP 105 Cb -0.18 -2.51 1.22 0.00 -0.30 0.00 0.00 42.92 41.16 2uua s ASP 105 CO 0.11 -3.03 1.81 0.00 -0.17 0.00 0.00 175.17 173.88 2uua h ALA 106 N 18.66 1.00 -2.22 3.66 0.00 -1.94 -3.38 119.26 135.03 2uua h ALA 106 Ca -0.21 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.12 2uua h ALA 106 Cb 1.23 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.05 2uua h ALA 106 CO 1.14 0.00 1.06 0.54 0.00 0.00 0.00 179.25 181.98 2uua n ARG 107 N -2.48 2.40 -3.89 0.00 1.74 -1.26 -4.98 116.66 108.19 2uua n ARG 107 Ca 0.01 0.87 -0.10 0.00 -0.77 0.00 0.00 57.85 57.86 2uua n ARG 107 Cb 0.19 -2.73 -0.09 0.00 -1.02 0.00 0.00 32.46 28.81 2uua n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2uua s VAL 108 N 3.16 0.11 -0.37 1.55 1.01 -1.26 -4.51 120.40 120.09 2uua s VAL 108 Ca 0.87 -0.91 -0.43 0.00 0.00 0.00 0.00 61.98 61.51 2uua s VAL 108 Cb -0.61 -0.74 -0.18 0.00 0.00 0.00 0.00 36.38 34.85 2uua s VAL 108 CO 0.44 -0.50 1.67 0.52 0.00 0.00 0.00 175.10 177.23 2uua n VAL 109 N 0.98 0.16 -2.68 2.92 0.31 -1.26 -4.88 118.33 113.88 2uua n VAL 109 Ca -0.20 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.70 2uua n VAL 109 Cb 0.58 -0.87 -0.06 0.00 -0.91 0.00 0.00 33.84 32.58 2uua n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2uua s GLU 110 N 3.22 4.77 0.45 5.55 2.12 -1.26 -4.99 118.70 128.56 2uua s GLU 110 Ca 1.01 1.56 -0.22 0.00 0.36 0.00 0.00 54.97 57.68 2uua s GLU 110 Cb -1.27 -3.20 -0.10 0.00 0.26 0.00 0.00 34.13 29.81 2uua s GLU 110 CO 0.73 0.41 0.80 -2.13 -0.54 0.00 0.00 175.26 174.53 2uua n ARG 111 N 1.30 0.95 -3.01 4.30 0.00 -1.26 -4.91 116.66 114.03 2uua n ARG 111 Ca -0.01 0.35 -0.43 0.00 -0.00 0.00 0.00 57.85 57.75 2uua n ARG 111 Cb 0.47 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 31.03 2uua n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2uua s LYS 112 N -1.95 3.38 0.64 -0.14 2.36 -1.26 -4.41 119.74 118.36 2uua s LYS 112 Ca 0.65 -0.18 -0.11 0.00 -2.55 0.00 0.00 55.97 53.78 2uua s LYS 112 Cb -0.55 -3.94 -0.02 0.00 -1.05 0.00 0.00 37.83 32.27 2uua s LYS 112 CO 0.56 -1.06 1.05 0.15 1.55 0.00 0.00 175.35 177.59 2uua s LYS 113 N 3.12 3.39 0.39 4.03 3.01 -1.26 -4.81 119.74 127.60 2uua s LYS 113 Ca 0.27 0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 55.83 2uua s LYS 113 Cb -0.13 -2.06 -0.07 0.00 -1.01 0.00 0.00 37.83 34.56 2uua s LYS 113 CO 0.21 -0.71 0.76 1.52 0.51 0.00 0.00 175.35 177.64 2uua s TYR 114 N -3.20 3.45 0.00 3.18 -0.85 -1.26 -3.61 117.35 115.06 2uua s TYR 114 Ca 0.56 1.07 0.00 0.00 -0.52 0.00 0.00 57.07 58.18 2uua s TYR 114 Cb -0.11 -2.46 0.00 0.00 0.38 0.00 0.00 41.96 39.77 2uua s TYR 114 CO 0.54 -0.06 0.00 0.41 -1.52 0.00 0.00 175.55 174.91 2uua n GLY 115 N -1.11 1.58 1.52 5.49 0.00 -1.26 -4.98 105.19 106.43 2uua n GLY 115 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2uua n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uua n LYS 116 N -2.00 1.45 -0.07 1.61 4.76 -1.24 -4.45 118.16 118.22 2uua n LYS 116 Ca 0.00 -1.55 -0.13 0.00 -2.87 0.00 0.00 58.31 53.76 2uua n LYS 116 Cb 0.00 0.43 -0.05 0.00 -1.84 0.00 0.00 35.03 33.57 2uua n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2uua n HIS 117 N -0.52 0.00 -2.55 2.13 8.25 0.12 -4.81 115.22 117.83 2uua n HIS 117 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 2uua n HIS 117 Cb 0.27 -0.50 0.02 0.00 1.12 0.00 0.00 29.99 30.90 2uua n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2uua n LYS 118 N -3.36 2.26 0.00 -0.41 5.02 -1.20 -4.96 118.16 115.52 2uua n LYS 118 Ca -0.26 -3.81 0.00 0.00 -2.02 0.00 0.00 58.31 52.22 2uua n LYS 118 Cb 0.71 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2uua n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uua n ALA 119 N -0.34 0.00 -0.08 7.82 0.00 -1.26 -4.02 120.51 122.63 2uua n ALA 119 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 2uua n ALA 119 Cb 0.78 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.17 2uua n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uua n ARG 120 N 0.00 0.35 -1.49 0.00 1.74 -1.26 -4.33 116.66 111.67 2uua n ARG 120 Ca 0.00 0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 2uua n ARG 120 Cb 0.00 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.20 2uua n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2uua n ARG 121 N -3.47 0.46 -3.06 5.56 0.00 -1.26 -4.78 116.66 110.10 2uua n ARG 121 Ca -0.30 0.03 -0.38 0.00 -0.00 0.00 0.00 57.85 57.20 2uua n ARG 121 Cb 0.74 -2.24 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 2uua n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2uua s ALA 122 N 9.66 3.46 0.72 5.13 0.00 -1.26 0.15 121.76 139.62 2uua s ALA 122 Ca 1.20 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 2uua s ALA 122 Cb -0.88 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 19.41 2uua s ALA 122 CO 0.43 0.32 1.25 -1.25 0.00 0.00 0.00 175.76 176.51 2uua s PRO 123 N -1.43 2.11 0.30 0.00 0.04 -1.26 -4.89 135.00 129.87 2uua s PRO 123 Ca 0.37 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2uua s PRO 123 Cb -0.20 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2uua s PRO 123 CO 0.23 -1.90 0.49 1.14 0.04 0.00 0.00 177.00 177.00 2uua s GLN 124 N -3.74 3.49 0.18 4.56 -2.07 -1.26 -5.11 119.66 115.72 2uua s GLN 124 Ca 0.78 -0.39 0.02 0.00 -1.82 0.00 0.00 55.36 53.95 2uua s GLN 124 Cb -0.33 -2.73 -0.05 0.00 -1.09 0.00 0.00 33.01 28.81 2uua s GLN 124 CO 0.45 0.25 0.01 1.52 -1.32 0.00 0.00 175.29 176.20 2uua s TYR 125 N -2.16 1.26 -1.70 9.60 -0.00 -1.26 -5.06 117.35 118.04 2uua s TYR 125 Ca 0.39 -1.03 0.14 0.00 -0.00 0.00 0.00 57.07 56.57 2uua s TYR 125 Cb -0.10 -0.72 0.13 0.00 -0.00 0.00 0.00 41.96 41.27 2uua s TYR 125 CO 0.33 -0.22 0.97 -1.13 -0.00 0.00 0.00 175.55 175.50 2uua n SER 126 N -0.27 2.23 0.00 -0.18 3.41 -1.26 -5.01 113.62 112.54 2uua n SER 126 Ca -0.06 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 2uua n SER 126 Cb 0.64 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2uua n SER 126 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2uua n LYS 127 N 0.78 0.00 0.00 4.33 4.81 -1.26 -5.40 118.16 121.42 2uua n LYS 127 Ca 0.09 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.62 2uua n LYS 127 Cb 0.36 0.00 0.56 0.00 0.02 0.00 0.00 35.03 35.97 2uua n LYS 127 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44