#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s PHE 6 N 0.00 3.26 0.02 2.11 2.99 -1.26 -4.81 117.98 120.29 2uua s PHE 6 Ca 0.00 1.57 0.05 0.00 0.00 0.00 0.00 56.93 58.55 2uua s PHE 6 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 43.02 40.10 2uua s PHE 6 CO 0.00 -0.37 -0.13 -2.00 -0.00 0.00 0.00 175.22 172.72 2uua s GLU 7 N -3.44 2.31 -0.01 0.44 2.12 0.39 -4.90 118.70 115.62 2uua s GLU 7 Ca 0.62 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2uua s GLU 7 Cb -0.11 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.95 2uua s GLU 7 CO 0.20 0.57 -0.04 -1.83 -0.54 0.00 0.00 175.26 173.62 2uua s GLU 8 N -1.35 0.36 0.03 4.30 -1.05 -1.26 -0.23 118.70 119.51 2uua s GLU 8 Ca 0.15 -0.13 0.06 0.00 -0.15 0.00 0.00 54.97 54.90 2uua s GLU 8 Cb -0.11 -0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 33.19 2uua s GLU 8 CO 0.06 0.06 -0.16 0.21 0.95 0.00 0.00 175.26 176.38 2uua s LYS 9 N 0.04 1.14 -0.27 -4.83 2.20 -0.35 -4.97 119.74 112.70 2uua s LYS 9 Ca -0.00 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 54.72 2uua s LYS 9 Cb -0.03 -1.17 -0.05 0.00 -1.51 0.00 0.00 37.83 35.06 2uua s LYS 9 CO -0.00 0.30 0.19 0.00 -0.36 0.00 0.00 175.35 175.47 2uua s MET 10 N -1.02 3.98 0.05 4.03 0.23 -1.26 -0.03 119.30 125.28 2uua s MET 10 Ca 0.04 -0.30 -0.24 0.00 -1.03 0.00 0.00 55.69 54.15 2uua s MET 10 Cb -0.08 -3.63 -0.17 0.00 -1.53 0.00 0.00 34.83 29.42 2uua s MET 10 CO 0.01 -0.13 1.56 0.82 -2.03 0.00 0.00 175.02 175.25 2uua h ILE 11 N 5.29 1.07 -1.98 3.16 1.08 -1.15 -3.47 117.51 121.51 2uua h ILE 11 Ca -0.36 -0.39 0.08 0.00 -0.39 0.00 0.00 64.86 63.80 2uua h ILE 11 Cb 1.19 1.33 -0.19 0.00 -3.07 0.00 0.00 36.82 36.08 2uua h ILE 11 CO 0.57 0.10 0.48 -1.48 -0.69 0.00 0.00 178.15 177.14 2uua s LEU 12 N -9.84 -0.40 -0.02 1.44 -0.00 -1.19 -4.99 118.68 103.67 2uua s LEU 12 Ca -0.14 0.23 0.02 0.00 -0.00 0.00 0.00 54.13 54.23 2uua s LEU 12 Cb 0.04 2.02 0.01 0.00 -0.00 0.00 0.00 46.19 48.26 2uua s LEU 12 CO 0.66 -0.52 -0.07 0.27 -0.00 0.00 0.00 176.35 176.69 2uua s ILE 13 N -2.16 0.62 0.14 1.48 -5.25 -1.26 0.10 121.20 114.88 2uua s ILE 13 Ca 0.01 -0.27 0.00 0.00 -0.99 0.00 0.00 60.65 59.40 2uua s ILE 13 Cb -0.01 -0.57 -0.04 0.00 2.95 0.00 0.00 42.46 44.79 2uua s ILE 13 CO -0.03 0.21 0.03 0.00 -1.79 0.00 0.00 174.94 173.35 2uua s ARG 14 N 0.27 0.98 -0.33 0.37 1.70 0.09 -4.97 118.95 117.06 2uua s ARG 14 Ca -0.04 -1.46 0.01 0.00 -0.47 0.00 0.00 55.73 53.77 2uua s ARG 14 Cb -0.08 0.04 0.08 0.00 -0.57 0.00 0.00 34.95 34.42 2uua s ARG 14 CO 0.00 -0.20 0.04 0.50 -1.08 0.00 0.00 175.30 174.56 2uua s ARG 15 N -3.99 1.96 0.86 3.89 3.52 -1.26 -1.17 118.95 122.76 2uua s ARG 15 Ca 0.23 -1.62 -0.10 0.00 -0.13 0.00 0.00 55.73 54.11 2uua s ARG 15 Cb 0.07 -3.21 0.19 0.00 -1.56 0.00 0.00 34.95 30.44 2uua s ARG 15 CO 0.02 -0.82 1.18 0.25 -0.81 0.00 0.00 175.30 175.12 2uua n THR 16 N 4.44 0.00 -3.69 4.11 -2.24 -0.63 -4.90 114.28 111.37 2uua n THR 16 Ca -0.05 -1.20 -0.11 0.00 -2.27 0.00 0.00 64.05 60.42 2uua n THR 16 Cb 0.42 -1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.28 2uua n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uua s ALA 17 N -3.65 -1.23 0.19 6.98 0.00 -1.26 -2.75 121.76 120.04 2uua s ALA 17 Ca 0.70 1.60 0.07 0.00 0.00 0.00 0.00 51.96 54.34 2uua s ALA 17 Cb -0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2uua s ALA 17 CO 0.48 -0.27 0.03 -0.98 0.00 0.00 0.00 175.76 175.03 2uua s ARG 18 N 1.00 2.51 0.01 0.00 1.70 0.13 -4.92 118.95 119.37 2uua s ARG 18 Ca -0.06 -1.09 0.01 0.00 -0.47 0.00 0.00 55.73 54.11 2uua s ARG 18 Cb -0.06 -2.40 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 2uua s ARG 18 CO -0.09 0.45 0.05 -1.64 -1.08 0.00 0.00 175.30 172.99 2uua s MET 19 N -3.09 2.94 -0.05 3.89 -1.94 -1.26 -0.44 119.30 119.34 2uua s MET 19 Ca 0.29 -0.56 -0.24 0.00 -1.71 0.00 0.00 55.69 53.47 2uua s MET 19 Cb -0.09 -2.77 0.05 0.00 2.01 0.00 0.00 34.83 34.03 2uua s MET 19 CO 0.20 0.63 0.53 -1.14 -0.01 0.00 0.00 175.02 175.23 2uua s GLN 20 N -1.76 0.88 -0.17 2.03 -0.44 -0.76 -4.96 119.66 114.49 2uua s GLN 20 Ca 0.22 0.12 -0.41 0.00 -2.50 0.00 0.00 55.36 52.79 2uua s GLN 20 Cb -0.12 0.41 -0.19 0.00 -1.64 0.00 0.00 33.01 31.47 2uua s GLN 20 CO 0.14 -0.26 1.37 0.00 0.50 0.00 0.00 175.29 177.04 2uua n ALA 21 N 1.18 -2.00 0.00 1.58 0.00 -1.26 -0.02 120.51 119.99 2uua n ALA 21 Ca -0.20 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2uua n ALA 21 Cb 0.57 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2uua n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uua n GLY 22 N 2.79 3.10 0.00 0.00 0.00 -1.26 -5.02 105.19 104.80 2uua n GLY 22 Ca 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2uua n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 23 N 0.00 -0.75 3.81 -0.02 0.00 0.97 -5.12 105.19 104.08 2uua n GLY 23 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 2uua n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 24 N -1.37 4.21 -0.14 1.61 0.52 -1.26 -1.83 118.95 120.69 2uua s ARG 24 Ca 0.00 0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 2uua s ARG 24 Cb 0.00 -3.21 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2uua s ARG 24 CO 0.00 0.62 -0.05 1.03 0.02 0.00 0.00 175.30 176.92 2uua s ARG 25 N -1.18 1.34 0.67 3.54 0.52 0.41 -4.97 118.95 119.28 2uua s ARG 25 Ca 0.30 -0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.10 2uua s ARG 25 Cb -0.19 -1.73 0.03 0.00 0.52 0.00 0.00 34.95 33.58 2uua s ARG 25 CO 0.19 -0.36 1.00 -0.06 0.02 0.00 0.00 175.30 176.10 2uua s PHE 26 N 1.71 3.17 0.21 -0.53 0.40 -1.26 -0.70 117.98 120.98 2uua s PHE 26 Ca 0.03 0.72 -0.17 0.00 -0.60 0.00 0.00 56.93 56.91 2uua s PHE 26 Cb -0.14 -2.99 0.02 0.00 0.51 0.00 0.00 43.02 40.42 2uua s PHE 26 CO -0.08 -1.13 0.52 1.03 0.70 0.00 0.00 175.22 176.26 2uua s ARG 27 N -5.20 1.42 -0.03 0.44 0.52 -1.11 -4.80 118.95 110.19 2uua s ARG 27 Ca 0.57 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2uua s ARG 27 Cb -0.11 0.52 0.00 0.00 0.52 0.00 0.00 34.95 35.88 2uua s ARG 27 CO 0.47 -0.60 -0.11 -0.06 0.02 0.00 0.00 175.30 175.02 2uua s PHE 28 N -3.90 1.09 -0.05 -0.53 0.40 0.34 -1.60 117.98 113.74 2uua s PHE 28 Ca 0.11 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 2uua s PHE 28 Cb -0.01 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 2uua s PHE 28 CO -0.01 -0.10 -0.10 0.20 0.70 0.00 0.00 175.22 175.91 2uua s GLY 29 N 0.12 1.64 -0.04 4.36 0.00 -0.32 -0.94 107.32 112.15 2uua s GLY 29 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2uua s GLY 29 CO 0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 173.10 172.34 2uua s ALA 30 N -0.82 0.45 -0.25 3.20 0.00 0.06 -0.73 121.76 123.67 2uua s ALA 30 Ca 0.13 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 2uua s ALA 30 Cb -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2uua s ALA 30 CO 0.02 -0.09 0.14 -1.17 0.00 0.00 0.00 175.76 174.66 2uua s LEU 31 N 1.06 3.86 -0.07 0.00 0.20 0.12 -1.43 118.68 122.42 2uua s LEU 31 Ca -0.09 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.70 2uua s LEU 31 Cb -0.14 -2.05 0.02 0.00 -0.43 0.00 0.00 46.19 43.60 2uua s LEU 31 CO -0.01 -0.00 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.29 2uua s VAL 32 N 1.45 0.75 0.06 1.68 1.01 0.71 -0.48 120.40 125.59 2uua s VAL 32 Ca 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2uua s VAL 32 Cb -0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2uua s VAL 32 CO 0.07 0.29 0.31 -0.69 0.00 0.00 0.00 175.10 175.07 2uua s VAL 33 N 1.14 5.25 -0.12 2.92 1.01 0.96 -0.84 120.40 130.72 2uua s VAL 33 Ca -0.07 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2uua s VAL 33 Cb -0.14 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2uua s VAL 33 CO -0.01 0.23 0.29 0.54 0.00 0.00 0.00 175.10 176.14 2uua s VAL 34 N -1.45 -0.02 0.23 2.92 0.11 0.03 -1.21 120.40 121.01 2uua s VAL 34 Ca 0.33 0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.27 2uua s VAL 34 Cb -0.13 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2uua s VAL 34 CO 0.21 0.03 0.62 -0.83 -3.33 0.00 0.00 175.10 171.80 2uua s GLY 35 N 0.88 -0.11 0.00 6.54 0.00 0.69 -0.25 107.32 115.06 2uua s GLY 35 Ca -0.06 -0.21 0.21 0.00 0.00 0.00 0.00 44.72 44.66 2uua s GLY 35 CO -0.06 -0.15 1.42 2.09 0.00 0.00 0.00 173.10 176.39 2uua n ASP 36 N -0.40 3.55 -2.62 1.64 5.68 -0.88 -0.46 116.55 123.05 2uua n ASP 36 Ca -0.08 -1.98 -0.18 0.00 -0.50 0.00 0.00 54.79 52.06 2uua n ASP 36 Cb 0.61 -0.33 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 2uua n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2uua n ARG 37 N 1.42 -2.59 -2.36 0.11 5.12 -0.53 -4.81 116.66 113.04 2uua n ARG 37 Ca 0.20 0.76 -0.01 0.00 -1.93 0.00 0.00 57.85 56.87 2uua n ARG 37 Cb 0.58 -5.43 0.05 0.00 -1.16 0.00 0.00 32.46 26.50 2uua n ARG 37 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2uua n GLN 38 N -3.16 1.14 -0.50 5.56 6.02 -1.26 -4.25 117.38 120.93 2uua n GLN 38 Ca -0.16 -2.31 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 2uua n GLN 38 Cb 0.63 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.38 2uua n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uua n GLY 39 N -0.62 0.75 2.78 1.08 0.00 -0.83 -4.93 105.19 103.41 2uua n GLY 39 Ca -0.04 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2uua n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 40 N -1.03 0.85 0.14 1.61 0.52 -1.26 0.38 118.95 120.16 2uua s ARG 40 Ca 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 55.73 54.76 2uua s ARG 40 Cb 0.00 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 2uua s ARG 40 CO 0.00 -0.62 -0.15 0.14 0.02 0.00 0.00 175.30 174.69 2uua s VAL 41 N 1.77 1.51 -0.08 3.52 -7.23 -0.80 -2.07 120.40 117.01 2uua s VAL 41 Ca -0.02 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2uua s VAL 41 Cb -0.17 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.12 2uua s VAL 41 CO -0.08 -0.41 0.19 -0.83 -0.31 0.00 0.00 175.10 173.66 2uua s GLY 42 N -2.61 -0.11 -0.10 2.32 0.00 0.65 0.88 107.32 108.35 2uua s GLY 42 Ca 0.12 0.68 -0.00 0.00 0.00 0.00 0.00 44.72 45.52 2uua s GLY 42 CO 0.04 0.78 -0.08 -2.27 0.00 0.00 0.00 173.10 171.57 2uua s LEU 43 N 0.65 3.05 -0.03 0.66 0.20 -1.21 -0.79 118.68 121.21 2uua s LEU 43 Ca -0.05 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 54.65 2uua s LEU 43 Cb -0.06 -1.68 0.03 0.00 -0.43 0.00 0.00 46.19 44.05 2uua s LEU 43 CO -0.03 0.28 0.00 -0.83 -0.29 0.00 0.00 176.35 175.48 2uua s GLY 44 N -0.33 0.22 -0.35 7.98 0.00 -0.02 -4.05 107.32 110.77 2uua s GLY 44 Ca 0.04 0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.99 2uua s GLY 44 CO 0.02 0.60 0.06 -0.12 0.00 0.00 0.00 173.10 173.66 2uua s PHE 45 N 1.00 3.75 0.08 1.90 5.36 -1.26 -0.21 117.98 128.61 2uua s PHE 45 Ca -0.10 -3.02 0.06 0.00 -0.96 0.00 0.00 56.93 52.92 2uua s PHE 45 Cb -0.13 -2.93 -0.04 0.00 -0.34 0.00 0.00 43.02 39.58 2uua s PHE 45 CO -0.02 -0.94 -0.10 0.20 -1.46 0.00 0.00 175.22 172.90 2uua s GLY 46 N 0.85 1.77 0.04 13.12 0.00 -0.51 -4.92 107.32 117.68 2uua s GLY 46 Ca 0.11 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.68 2uua s GLY 46 CO -0.08 -1.15 -0.14 0.54 0.00 0.00 0.00 173.10 172.27 2uua s LYS 47 N -2.03 0.93 0.17 2.90 3.01 -1.26 -0.76 119.74 122.70 2uua s LYS 47 Ca 0.20 -0.77 -0.24 0.00 -1.01 0.00 0.00 55.97 54.15 2uua s LYS 47 Cb -0.11 -0.93 0.06 0.00 -1.01 0.00 0.00 37.83 35.83 2uua s LYS 47 CO 0.12 0.23 0.81 0.00 0.51 0.00 0.00 175.35 177.02 2uua s ALA 48 N -0.88 -1.53 0.63 5.17 0.00 -0.11 -4.86 121.76 120.17 2uua s ALA 48 Ca 0.01 0.19 0.33 0.00 0.00 0.00 0.00 51.96 52.49 2uua s ALA 48 Cb -0.08 0.71 1.85 0.00 0.00 0.00 0.00 23.12 25.61 2uua s ALA 48 CO 0.01 -0.94 2.14 -1.35 0.00 0.00 0.00 175.76 175.62 2uua h PRO 49 N 2.00 0.00 -3.44 0.00 0.11 -1.87 0.99 132.00 129.78 2uua h PRO 49 Ca -0.24 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.59 2uua h PRO 49 Cb 1.25 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.03 2uua h PRO 49 CO 0.28 0.00 -0.69 -2.00 -0.21 0.00 0.00 178.00 175.38 2uua s GLU 50 N -4.40 0.01 0.05 1.05 2.56 -1.26 -4.68 118.70 112.02 2uua s GLU 50 Ca -0.04 0.24 -0.10 0.00 0.00 0.00 0.00 54.97 55.06 2uua s GLU 50 Cb 0.13 -0.22 -0.02 0.00 2.00 0.00 0.00 34.13 36.02 2uua s GLU 50 CO 0.46 -0.16 0.59 0.28 -0.56 0.00 0.00 175.26 175.86 2uua n VAL 51 N 4.14 -0.22 -0.04 3.70 0.31 -1.26 -0.70 118.33 124.26 2uua n VAL 51 Ca -0.27 0.92 -0.03 0.00 -0.01 0.00 0.00 64.34 64.95 2uua n VAL 51 Cb 0.51 -1.15 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 2uua n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2uua h PRO 52 N 0.00 -0.08 0.00 5.55 0.11 -1.96 0.66 132.00 136.28 2uua h PRO 52 Ca 0.05 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2uua h PRO 52 Cb 0.13 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2uua h PRO 52 CO -0.31 -0.05 0.00 1.37 -0.21 0.00 0.00 178.00 178.80 2uua h LEU 53 N -0.08 0.00 0.36 2.35 -0.00 -1.74 -0.06 115.31 116.14 2uua h LEU 53 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 2uua h LEU 53 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2uua h LEU 53 CO -0.15 0.00 -0.17 0.00 -0.00 0.00 0.00 178.44 178.12 2uua h ALA 54 N 2.03 -0.49 -0.07 0.17 0.00 0.16 0.27 119.26 121.32 2uua h ALA 54 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2uua h ALA 54 Cb 0.17 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2uua h ALA 54 CO 0.00 -0.58 -0.40 0.28 0.00 0.00 0.00 179.25 178.55 2uua h VAL 55 N -0.87 0.18 -0.66 0.00 2.07 0.14 0.35 116.25 117.46 2uua h VAL 55 Ca -0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.61 2uua h VAL 55 Cb 0.54 0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 2uua h VAL 55 CO 0.08 0.00 0.10 -0.61 0.02 0.00 0.00 177.57 177.16 2uua h GLN 56 N -0.51 0.20 -0.34 1.57 4.15 -1.08 0.43 115.11 119.54 2uua h GLN 56 Ca 0.07 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2uua h GLN 56 Cb 0.62 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2uua h GLN 56 CO -0.35 0.13 0.14 -0.22 -1.93 0.00 0.00 178.83 176.60 2uua h LYS 57 N 0.21 0.48 0.50 1.69 3.64 -0.12 -1.97 116.57 121.00 2uua h LYS 57 Ca 0.36 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2uua h LYS 57 Cb 0.58 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2uua h LYS 57 CO -0.49 0.40 -0.24 0.00 -2.27 0.00 0.00 179.45 176.84 2uua h ALA 58 N 1.68 -0.68 -0.42 5.00 0.00 0.19 -2.02 119.26 123.01 2uua h ALA 58 Ca 0.12 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2uua h ALA 58 Cb 0.10 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2uua h ALA 58 CO -0.01 -0.84 -0.33 0.78 0.00 0.00 0.00 179.25 178.84 2uua h GLY 59 N -0.75 -0.25 -0.02 0.00 0.00 -0.63 0.34 103.07 101.74 2uua h GLY 59 Ca -0.07 0.42 0.15 0.00 0.00 0.00 0.00 47.33 47.83 2uua h GLY 59 CO 0.11 -0.21 0.14 -1.82 0.00 0.00 0.00 176.54 174.77 2uua h TYR 60 N -0.25 0.20 -0.46 5.60 3.20 -1.28 -0.29 116.97 123.70 2uua h TYR 60 Ca 0.18 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 2uua h TYR 60 Cb 0.54 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2uua h TYR 60 CO -0.55 -0.09 -0.19 1.88 -1.64 0.00 0.00 178.16 177.57 2uua h TYR 61 N 0.24 1.03 -0.01 -3.82 0.05 -0.24 -3.05 116.97 111.17 2uua h TYR 61 Ca 0.38 -0.23 0.03 0.00 0.05 0.00 0.00 58.73 58.96 2uua h TYR 61 Cb 0.63 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 38.07 2uua h TYR 61 CO -0.28 1.02 -0.29 0.00 -1.05 0.00 0.00 178.16 177.55 2uua h ALA 62 N 0.98 -0.40 -0.22 3.88 0.00 0.13 -2.11 119.26 121.51 2uua h ALA 62 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2uua h ALA 62 Cb 0.74 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2uua h ALA 62 CO 0.06 -0.80 0.15 0.00 0.00 0.00 0.00 179.25 178.66 2uua h ARG 63 N -0.43 0.22 0.00 0.00 3.08 -1.34 0.60 114.38 116.51 2uua h ARG 63 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2uua h ARG 63 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2uua h ARG 63 CO -0.26 0.14 0.00 0.54 -1.07 0.00 0.00 179.97 179.32 2uua n ARG 64 N -4.50 0.73 -3.47 0.04 1.74 -0.82 -4.14 116.66 106.23 2uua n ARG 64 Ca 0.01 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.83 2uua n ARG 64 Cb 0.14 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 2uua n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2uua n ASN 65 N -1.09 1.34 -4.88 0.55 5.15 0.20 -5.10 115.26 111.44 2uua n ASN 65 Ca 0.19 -2.86 -0.37 0.00 -0.60 0.00 0.00 54.58 50.94 2uua n ASN 65 Cb 0.13 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 38.68 2uua n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2uua s MET 66 N -1.11 3.51 -0.09 1.20 -1.94 -1.26 -3.29 119.30 116.33 2uua s MET 66 Ca 0.33 -0.08 0.04 0.00 -1.71 0.00 0.00 55.69 54.27 2uua s MET 66 Cb 0.07 -3.17 -0.00 0.00 2.01 0.00 0.00 34.83 33.74 2uua s MET 66 CO -0.13 0.75 -0.23 0.08 -0.01 0.00 0.00 175.02 175.47 2uua s VAL 67 N -1.09 1.94 -0.62 -6.03 1.01 0.25 -4.97 120.40 110.90 2uua s VAL 67 Ca 0.19 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2uua s VAL 67 Cb -0.13 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.64 2uua s VAL 67 CO 0.08 0.54 0.88 -0.70 0.00 0.00 0.00 175.10 175.90 2uua s GLU 68 N 0.30 3.12 -0.63 2.72 2.56 -1.26 -1.91 118.70 123.60 2uua s GLU 68 Ca -0.16 -0.87 -0.27 0.00 0.00 0.00 0.00 54.97 53.68 2uua s GLU 68 Cb -0.17 -4.20 0.04 0.00 2.00 0.00 0.00 34.13 31.79 2uua s GLU 68 CO 0.08 -1.67 1.15 0.08 -0.56 0.00 0.00 175.26 174.34 2uua s VAL 69 N 3.66 4.02 -0.40 3.70 1.01 0.16 -4.91 120.40 127.64 2uua s VAL 69 Ca 0.20 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.44 2uua s VAL 69 Cb -0.18 -4.75 -0.28 0.00 0.00 0.00 0.00 36.38 31.17 2uua s VAL 69 CO 0.11 -1.46 1.76 -0.81 0.00 0.00 0.00 175.10 174.69 2uua n PRO 70 N 8.48 0.56 -1.63 2.72 -0.04 -1.26 -4.36 135.00 139.46 2uua n PRO 70 Ca 0.05 -1.41 -0.37 0.00 -0.04 0.00 0.00 63.50 61.73 2uua n PRO 70 Cb 0.48 -2.83 0.08 0.00 -0.04 0.00 0.00 33.50 31.19 2uua n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2uua n LEU 71 N 9.85 5.62 -3.24 1.53 4.77 -1.26 -4.17 117.00 130.09 2uua n LEU 71 Ca 0.47 0.79 -0.21 0.00 -0.03 0.00 0.00 56.01 57.04 2uua n LEU 71 Cb 0.42 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.90 2uua n LEU 71 CO 1.07 -1.18 -0.20 -1.10 -1.33 0.00 0.00 177.39 174.65 2uua s GLN 72 N -3.42 0.90 -0.89 3.23 -0.21 0.11 -4.92 119.66 114.47 2uua s GLN 72 Ca 0.81 -1.72 -0.00 0.00 0.02 0.00 0.00 55.36 54.46 2uua s GLN 72 Cb -0.37 -1.02 -0.01 0.00 1.00 0.00 0.00 33.01 32.61 2uua s GLN 72 CO 0.42 -1.35 0.74 -1.71 -2.12 0.00 0.00 175.29 171.27 2uua n ASN 73 N 3.04 -2.40 0.00 5.90 4.05 -1.26 -3.17 115.26 121.41 2uua n ASN 73 Ca 0.25 -0.47 0.00 0.00 0.45 0.00 0.00 54.58 54.81 2uua n ASN 73 Cb 0.49 -3.97 0.00 0.00 1.23 0.00 0.00 39.78 37.53 2uua n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2uua n GLY 74 N -1.12 1.03 3.43 8.20 0.00 -1.26 -4.83 105.19 110.64 2uua n GLY 74 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2uua n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2uua s THR 75 N -3.54 0.36 0.19 2.61 -1.32 -1.19 -0.38 115.64 112.37 2uua s THR 75 Ca 0.00 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.31 2uua s THR 75 Cb 0.00 -2.39 -0.08 0.00 -1.51 0.00 0.00 72.50 68.52 2uua s THR 75 CO 0.00 0.00 0.64 -0.63 -2.21 0.00 0.00 174.62 172.42 2uua s ILE 76 N -3.31 4.72 0.15 5.08 1.09 -1.26 -0.71 121.20 126.95 2uua s ILE 76 Ca 0.30 1.04 -0.17 0.00 -1.10 0.00 0.00 60.65 60.72 2uua s ILE 76 Cb 0.02 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.65 2uua s ILE 76 CO 0.19 0.21 1.74 1.55 -0.10 0.00 0.00 174.94 178.54 2uua h PRO 77 N 3.45 0.23 0.00 2.79 0.13 -1.87 -3.42 132.00 133.30 2uua h PRO 77 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2uua h PRO 77 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2uua h PRO 77 CO 0.65 0.15 0.00 -2.39 -0.23 0.00 0.00 178.00 176.19 2uua n HIS 78 N -5.04 0.00 -4.21 1.56 1.44 -1.26 -4.99 115.22 102.72 2uua n HIS 78 Ca 0.01 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.40 2uua n HIS 78 Cb 0.13 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.08 2uua n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2uua s GLU 79 N 1.84 2.78 0.27 -1.40 8.01 -1.26 -4.06 118.70 124.88 2uua s GLU 79 Ca 0.00 -0.75 0.10 0.00 0.01 0.00 0.00 54.97 54.33 2uua s GLU 79 Cb 0.00 -2.39 -0.04 0.00 -4.31 0.00 0.00 34.13 27.39 2uua s GLU 79 CO 0.00 -0.17 -0.03 0.96 0.01 0.00 0.00 175.26 176.02 2uua s ILE 80 N 1.24 3.28 -0.10 -1.63 -5.25 -1.15 -5.01 121.20 112.58 2uua s ILE 80 Ca 0.02 -1.99 -0.03 0.00 -0.99 0.00 0.00 60.65 57.67 2uua s ILE 80 Cb -0.13 -2.76 0.04 0.00 2.95 0.00 0.00 42.46 42.55 2uua s ILE 80 CO -0.10 -0.37 0.05 -0.70 -1.79 0.00 0.00 174.94 172.03 2uua s GLU 81 N -3.65 0.20 -0.02 0.37 2.12 -1.26 -2.01 118.70 114.44 2uua s GLU 81 Ca 0.31 0.12 0.06 0.00 0.36 0.00 0.00 54.97 55.82 2uua s GLU 81 Cb -0.06 -1.12 -0.02 0.00 0.26 0.00 0.00 34.13 33.19 2uua s GLU 81 CO 0.19 -0.44 -0.20 0.08 -0.54 0.00 0.00 175.26 174.35 2uua s VAL 82 N 2.08 2.55 -0.18 3.70 1.01 -0.79 -4.99 120.40 123.78 2uua s VAL 82 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2uua s VAL 82 Cb -0.14 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 2uua s VAL 82 CO -0.06 0.54 -0.11 -1.61 0.00 0.00 0.00 175.10 173.86 2uua s GLU 83 N -0.80 3.29 -0.30 2.72 2.02 -1.26 -0.83 118.70 123.54 2uua s GLU 83 Ca 0.11 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.43 2uua s GLU 83 Cb -0.10 -2.76 0.08 0.00 0.10 0.00 0.00 34.13 31.45 2uua s GLU 83 CO 0.01 -0.04 0.01 0.12 0.02 0.00 0.00 175.26 175.37 2uua s PHE 84 N 1.00 3.11 0.00 1.61 5.36 0.32 -4.96 117.98 124.42 2uua s PHE 84 Ca -0.01 -2.45 0.00 0.00 -0.96 0.00 0.00 56.93 53.51 2uua s PHE 84 Cb -0.15 -2.30 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2uua s PHE 84 CO -0.02 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.26 2uua n GLY 85 N 4.45 2.74 1.11 13.12 0.00 -1.26 -1.19 105.19 124.17 2uua n GLY 85 Ca -0.03 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.82 2uua n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua n ALA 86 N 10.91 2.32 -2.81 4.61 0.00 -1.26 -4.92 120.51 129.37 2uua n ALA 86 Ca 0.00 -1.26 -0.36 0.00 0.00 0.00 0.00 53.44 51.82 2uua n ALA 86 Cb 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 2uua n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2uua s SER 87 N -1.00 6.31 -0.04 0.00 0.01 -0.33 0.64 113.70 119.28 2uua s SER 87 Ca 0.40 0.37 0.06 0.00 1.31 0.00 0.00 55.95 58.08 2uua s SER 87 Cb 0.21 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 2uua s SER 87 CO 0.27 0.30 -0.21 -0.75 0.41 0.00 0.00 173.24 173.26 2uua s LYS 88 N -0.39 2.01 -0.00 12.44 2.20 -0.31 0.12 119.74 135.80 2uua s LYS 88 Ca 0.12 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 2uua s LYS 88 Cb -0.12 -1.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 2uua s LYS 88 CO 0.01 0.36 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.65 2uua s ILE 89 N -0.20 1.69 -0.14 5.43 -1.16 -0.01 -0.26 121.20 126.54 2uua s ILE 89 Ca 0.00 -0.98 0.01 0.00 -0.51 0.00 0.00 60.65 59.18 2uua s ILE 89 Cb -0.11 -1.42 0.02 0.00 0.61 0.00 0.00 42.46 41.56 2uua s ILE 89 CO 0.02 0.42 -0.17 -0.69 -2.81 0.00 0.00 174.94 171.71 2uua s VAL 90 N -0.56 1.71 -0.08 4.00 1.01 0.13 -1.89 120.40 124.71 2uua s VAL 90 Ca 0.08 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2uua s VAL 90 Cb -0.08 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2uua s VAL 90 CO -0.00 0.48 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 2uua s LEU 91 N 1.19 2.51 -0.02 3.92 1.43 -0.85 -0.53 118.68 126.32 2uua s LEU 91 Ca -0.01 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2uua s LEU 91 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2uua s LEU 91 CO -0.07 0.25 -0.01 -0.75 0.23 0.00 0.00 176.35 176.01 2uua s LYS 92 N -0.17 0.31 0.45 1.70 2.20 0.60 -2.96 119.74 121.86 2uua s LYS 92 Ca -0.01 0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 55.39 2uua s LYS 92 Cb -0.14 -0.45 -0.07 0.00 -1.51 0.00 0.00 37.83 35.66 2uua s LYS 92 CO 0.03 -0.10 1.24 -1.25 -0.36 0.00 0.00 175.35 174.92 2uua s PRO 93 N 0.82 3.75 0.04 4.03 0.04 -1.26 0.13 135.00 142.55 2uua s PRO 93 Ca -0.08 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2uua s PRO 93 Cb -0.12 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 2uua s PRO 93 CO -0.01 -0.61 0.01 0.00 0.04 0.00 0.00 177.00 176.42 2uua s ALA 94 N -1.40 0.21 0.86 8.56 0.00 -1.25 -4.65 121.76 124.09 2uua s ALA 94 Ca 0.62 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 2uua s ALA 94 Cb -0.34 0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.12 2uua s ALA 94 CO 0.42 -0.29 1.09 0.00 0.00 0.00 0.00 175.76 176.98 2uua s ALA 95 N -2.78 1.76 0.85 0.00 0.00 -1.26 -4.65 121.76 115.68 2uua s ALA 95 Ca -0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2uua s ALA 95 Cb -0.00 -3.18 0.11 0.00 0.00 0.00 0.00 23.12 20.04 2uua s ALA 95 CO -0.06 -2.16 1.14 -2.14 0.00 0.00 0.00 175.76 172.53 2uua s PRO 96 N -4.98 1.53 0.00 0.00 0.02 -1.26 -2.61 135.00 127.70 2uua s PRO 96 Ca 0.63 1.45 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2uua s PRO 96 Cb -0.17 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2uua s PRO 96 CO 0.56 -2.23 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 2uua n GLY 97 N -0.22 3.18 0.06 0.52 0.00 -1.26 -4.89 105.19 102.58 2uua n GLY 97 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2uua n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2uua h THR 98 N 0.00 1.22 0.00 2.61 2.02 -1.83 -3.50 112.91 113.42 2uua h THR 98 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2uua h THR 98 Cb 0.00 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2uua h THR 98 CO 0.00 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.68 2uua n GLY 99 N -0.29 -2.48 3.25 2.16 0.00 -1.22 -4.71 105.19 101.90 2uua n GLY 99 Ca -0.08 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2uua n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 100 N -0.33 5.01 -0.96 1.61 1.01 -1.18 -1.02 120.40 124.54 2uua s VAL 100 Ca 0.00 -2.73 -0.24 0.00 0.00 0.00 0.00 61.98 59.01 2uua s VAL 100 Cb 0.00 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2uua s VAL 100 CO 0.00 -0.99 1.40 -0.63 0.00 0.00 0.00 175.10 174.88 2uua s ILE 101 N -0.05 3.90 0.20 2.22 1.09 -0.84 -4.95 121.20 122.77 2uua s ILE 101 Ca 0.19 -0.53 -0.17 0.00 -1.10 0.00 0.00 60.65 59.04 2uua s ILE 101 Cb -0.13 -5.02 0.03 0.00 -1.06 0.00 0.00 42.46 36.27 2uua s ILE 101 CO -0.07 -1.91 0.52 0.00 -0.10 0.00 0.00 174.94 173.37 2uua s ALA 102 N 5.09 -0.90 0.55 9.38 0.00 -1.26 -2.73 121.76 131.89 2uua s ALA 102 Ca 0.43 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 2uua s ALA 102 Cb -0.02 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 2uua s ALA 102 CO -0.05 -0.80 1.13 0.20 0.00 0.00 0.00 175.76 176.24 2uua s GLY 103 N -2.88 2.61 0.36 0.00 0.00 -1.26 -4.73 107.32 101.42 2uua s GLY 103 Ca 0.10 0.81 0.17 0.00 0.00 0.00 0.00 44.72 45.81 2uua s GLY 103 CO -0.02 1.17 1.67 0.00 0.00 0.00 0.00 173.10 175.92 2uua h ALA 104 N 1.10 2.12 0.53 3.20 0.00 -2.00 0.49 119.26 124.70 2uua h ALA 104 Ca -0.50 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2uua h ALA 104 Cb 1.26 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.20 2uua h ALA 104 CO 0.57 -0.70 -0.25 0.28 0.00 0.00 0.00 179.25 179.14 2uua h VAL 105 N 0.30 0.00 0.00 0.00 2.07 -1.95 -2.66 116.25 114.01 2uua h VAL 105 Ca 0.73 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.86 2uua h VAL 105 Cb 1.79 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2uua h VAL 105 CO -0.53 0.00 0.00 1.55 0.02 0.00 0.00 177.57 178.61 2uua h PRO 106 N -1.10 0.00 0.66 1.57 0.13 -1.83 -2.82 132.00 128.62 2uua h PRO 106 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2uua h PRO 106 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 2uua h PRO 106 CO 0.12 0.00 -0.32 -0.09 -0.23 0.00 0.00 178.00 177.48 2uua h ARG 107 N 0.00 -0.86 -0.96 0.86 2.43 -0.83 -0.66 114.38 114.36 2uua h ARG 107 Ca 0.00 0.06 0.27 0.00 -0.81 0.00 0.00 59.98 59.50 2uua h ARG 107 Cb 0.17 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 29.78 2uua h ARG 107 CO 0.00 -0.57 0.48 0.00 -1.51 0.00 0.00 179.97 178.37 2uua h ALA 108 N -1.31 1.70 -0.48 2.80 0.00 -1.23 0.35 119.26 121.10 2uua h ALA 108 Ca -0.09 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2uua h ALA 108 Cb 0.68 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2uua h ALA 108 CO 0.15 -0.44 -0.18 0.82 0.00 0.00 0.00 179.25 179.60 2uua h ILE 109 N 0.37 1.27 0.47 0.00 2.04 -1.41 -2.61 117.51 117.64 2uua h ILE 109 Ca 0.65 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2uua h ILE 109 Cb 1.36 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2uua h ILE 109 CO -0.57 0.46 -0.23 -0.07 0.00 0.00 0.00 178.15 177.74 2uua h LEU 110 N 0.81 -0.54 -0.51 1.44 3.38 0.11 -2.44 115.31 117.57 2uua h LEU 110 Ca 0.11 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2uua h LEU 110 Cb 0.75 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2uua h LEU 110 CO 0.06 -0.12 -0.20 -0.33 0.09 0.00 0.00 178.44 177.94 2uua h GLU 111 N -1.08 -0.08 0.00 1.13 5.08 -0.61 0.60 114.58 119.63 2uua h GLU 111 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2uua h GLU 111 Cb 0.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2uua h GLU 111 CO 0.11 -0.05 0.00 -0.07 -1.00 0.00 0.00 179.01 177.99 2uua h LEU 112 N -0.08 0.00 -0.63 1.33 3.38 -1.56 0.22 115.31 117.97 2uua h LEU 112 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2uua h LEU 112 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2uua h LEU 112 CO -0.57 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.96 2uua n ALA 113 N -1.97 2.51 -1.67 1.53 0.00 0.21 -1.45 120.51 119.67 2uua n ALA 113 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 2uua n ALA 113 Cb 0.20 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 2uua n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uua n GLY 114 N 0.88 0.37 3.89 0.00 0.00 0.06 -1.97 105.19 108.43 2uua n GLY 114 Ca 0.10 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 2uua n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 115 N -2.04 5.48 0.00 1.61 1.01 -0.97 -4.73 120.40 120.76 2uua s VAL 115 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2uua s VAL 115 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2uua s VAL 115 CO 0.00 0.52 0.00 1.07 0.00 0.00 0.00 175.10 176.69 2uua n THR 116 N 1.62 0.00 -3.75 3.92 5.66 0.49 -4.22 114.28 117.99 2uua n THR 116 Ca -0.17 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.59 2uua n THR 116 Cb 0.54 -0.43 -0.17 0.00 -1.55 0.00 0.00 70.33 68.72 2uua n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2uua s ASP 117 N -2.12 1.83 -0.17 1.09 1.01 0.23 -3.13 116.67 115.42 2uua s ASP 117 Ca 0.00 -0.23 -0.28 0.00 0.71 0.00 0.00 52.55 52.75 2uua s ASP 117 Cb 0.00 -0.45 0.10 0.00 1.01 0.00 0.00 42.92 43.58 2uua s ASP 117 CO 0.00 -0.22 0.86 -0.51 0.21 0.00 0.00 175.17 175.51 2uua s ILE 118 N 1.97 0.00 -0.14 0.77 2.07 -0.19 -3.91 121.20 121.77 2uua s ILE 118 Ca 0.04 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 2uua s ILE 118 Cb -0.13 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 2uua s ILE 118 CO -0.06 0.00 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.16 2uua s LEU 119 N -0.58 3.18 0.22 8.50 1.43 0.36 -1.98 118.68 129.80 2uua s LEU 119 Ca -0.03 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2uua s LEU 119 Cb -0.02 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2uua s LEU 119 CO 0.02 0.20 0.04 0.42 0.23 0.00 0.00 176.35 177.26 2uua s THR 120 N 0.20 0.69 -0.29 5.49 -4.23 -1.10 0.22 115.64 116.61 2uua s THR 120 Ca -0.03 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 2uua s THR 120 Cb -0.14 -2.37 0.10 0.00 1.34 0.00 0.00 72.50 71.44 2uua s THR 120 CO 0.03 -0.26 0.68 -0.75 -0.54 0.00 0.00 174.62 173.79 2uua s LYS 121 N -3.96 0.65 -0.20 3.99 2.47 0.31 -4.85 119.74 118.15 2uua s LYS 121 Ca 0.30 1.30 -0.22 0.00 -1.56 0.00 0.00 55.97 55.79 2uua s LYS 121 Cb 0.07 0.43 -0.02 0.00 -1.46 0.00 0.00 37.83 36.85 2uua s LYS 121 CO 0.09 -0.17 0.70 -1.21 0.16 0.00 0.00 175.35 174.92 2uua s GLU 122 N 2.14 4.22 0.37 4.03 2.02 -1.26 -0.70 118.70 129.52 2uua s GLU 122 Ca -0.08 0.74 0.06 0.00 0.02 0.00 0.00 54.97 55.71 2uua s GLU 122 Cb -0.08 -3.59 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 2uua s GLU 122 CO -0.19 -0.30 0.02 -0.51 0.02 0.00 0.00 175.26 174.29 2uua s LEU 123 N 2.10 2.61 0.00 1.80 1.43 0.64 -5.01 118.68 122.24 2uua s LEU 123 Ca 0.31 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2uua s LEU 123 Cb -0.16 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.35 2uua s LEU 123 CO 0.10 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2uua n GLY 124 N -0.84 2.44 3.70 -3.19 0.00 -1.26 -1.16 105.19 104.88 2uua n GLY 124 Ca -0.04 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2uua n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uua s SER 125 N -4.00 7.03 -0.04 1.61 0.15 0.21 -4.87 113.70 113.79 2uua s SER 125 Ca 0.00 1.94 0.04 0.00 0.70 0.00 0.00 55.95 58.63 2uua s SER 125 Cb 0.00 -2.57 0.19 0.00 -1.71 0.00 0.00 66.02 61.93 2uua s SER 125 CO 0.00 -0.56 0.94 0.54 1.20 0.00 0.00 173.24 175.36 2uua n ARG 126 N 4.71 1.76 -1.59 5.44 5.12 -1.26 -4.28 116.66 126.57 2uua n ARG 126 Ca 0.10 -0.74 -0.47 0.00 -1.93 0.00 0.00 57.85 54.81 2uua n ARG 126 Cb 0.46 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.23 2uua n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2uua n ASN 127 N 0.11 3.04 0.00 0.55 2.85 -1.26 -4.80 115.26 115.75 2uua n ASN 127 Ca 0.07 0.56 0.00 0.00 -0.11 0.00 0.00 54.58 55.09 2uua n ASN 127 Cb 0.36 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 39.97 2uua n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2uua n PRO 128 N 7.83 0.00 -0.29 1.20 -0.02 -1.26 -0.01 135.00 142.45 2uua n PRO 128 Ca 0.30 0.91 0.05 0.00 -2.02 0.00 0.00 63.50 62.74 2uua n PRO 128 Cb 0.33 -1.36 0.13 0.00 -0.02 0.00 0.00 33.50 32.58 2uua n PRO 128 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2uua h ILE 129 N 0.00 0.18 -0.37 4.25 5.03 -1.99 0.28 117.51 124.89 2uua h ILE 129 Ca 0.00 -0.01 -0.15 0.00 -0.12 0.00 0.00 64.86 64.58 2uua h ILE 129 Cb 0.00 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 33.94 2uua h ILE 129 CO 0.00 0.00 -0.36 0.78 -0.68 0.00 0.00 178.15 177.89 2uua h ASN 130 N 0.02 0.96 -0.66 1.72 2.35 -1.46 -1.51 115.58 116.99 2uua h ASN 130 Ca 0.42 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2uua h ASN 130 Cb 0.70 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 2uua h ASN 130 CO -0.83 1.22 0.43 0.40 -1.65 0.00 0.00 177.43 176.99 2uua h ILE 131 N 0.70 1.18 0.11 2.81 1.08 0.12 0.23 117.51 123.75 2uua h ILE 131 Ca 0.06 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 2uua h ILE 131 Cb 0.95 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 2uua h ILE 131 CO 0.09 0.18 -0.21 0.00 -0.69 0.00 0.00 178.15 177.52 2uua h ALA 132 N 1.23 -0.35 -0.18 1.87 0.00 -0.28 0.31 119.26 121.86 2uua h ALA 132 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2uua h ALA 132 Cb -0.08 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2uua h ALA 132 CO -0.05 -0.74 -0.05 1.88 0.00 0.00 0.00 179.25 180.30 2uua h TYR 133 N -0.39 0.27 0.34 0.00 -1.99 -0.95 -1.34 116.97 112.91 2uua h TYR 133 Ca 0.03 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 2uua h TYR 133 Cb 0.41 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2uua h TYR 133 CO -0.20 0.32 -0.17 0.00 -0.00 0.00 0.00 178.16 178.12 2uua h ALA 134 N 1.70 -0.46 -0.30 3.88 0.00 0.72 -1.14 119.26 123.66 2uua h ALA 134 Ca 0.06 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2uua h ALA 134 Cb 0.26 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2uua h ALA 134 CO 0.01 -0.75 -0.32 1.15 0.00 0.00 0.00 179.25 179.34 2uua h THR 135 N -0.48 0.26 0.05 0.00 2.02 0.14 0.25 112.91 115.15 2uua h THR 135 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2uua h THR 135 Cb 0.37 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2uua h THR 135 CO 0.08 0.00 -0.52 0.24 0.37 0.00 0.00 175.52 175.69 2uua h MET 136 N -0.30 -0.67 -0.97 6.66 2.07 -1.05 0.72 114.93 121.39 2uua h MET 136 Ca 0.14 0.05 0.21 0.00 -2.07 0.00 0.00 59.70 58.03 2uua h MET 136 Cb 0.53 0.15 -0.12 0.00 -1.87 0.00 0.00 31.60 30.30 2uua h MET 136 CO -0.47 -0.45 0.55 0.93 1.07 0.00 0.00 176.91 178.55 2uua h GLU 137 N -0.69 0.59 0.47 1.72 4.39 -0.51 0.54 114.58 121.09 2uua h GLU 137 Ca 0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2uua h GLU 137 Cb 0.73 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2uua h GLU 137 CO -0.33 0.39 -0.47 0.00 -1.16 0.00 0.00 179.01 177.44 2uua h ALA 138 N 1.68 -1.13 0.24 3.43 0.00 0.16 -1.01 119.26 122.63 2uua h ALA 138 Ca 0.59 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2uua h ALA 138 Cb 1.04 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 2uua h ALA 138 CO -0.44 -1.16 -0.38 -0.07 0.00 0.00 0.00 179.25 177.19 2uua h LEU 139 N -0.94 -1.11 -1.39 0.00 3.38 0.69 -0.48 115.31 115.46 2uua h LEU 139 Ca -0.06 0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.31 2uua h LEU 139 Cb 0.82 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2uua h LEU 139 CO -0.06 -0.46 1.07 -0.09 0.09 0.00 0.00 178.44 179.00 2uua h ARG 140 N -0.66 0.00 -0.00 1.13 2.43 0.10 0.58 114.38 117.96 2uua h ARG 140 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2uua h ARG 140 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2uua h ARG 140 CO -0.13 0.00 -0.36 1.04 -1.51 0.00 0.00 179.97 179.01 2uua n GLN 141 N -3.45 0.36 -1.68 0.20 6.02 -0.20 -4.94 117.38 113.69 2uua n GLN 141 Ca 0.23 -0.20 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 2uua n GLN 141 Cb 1.39 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 31.18 2uua n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2uua n LEU 142 N -1.15 3.83 -4.07 1.08 4.77 0.20 -5.01 117.00 116.66 2uua n LEU 142 Ca 0.09 1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.99 2uua n LEU 142 Cb 0.34 -1.46 -0.11 0.00 -2.33 0.00 0.00 43.42 39.85 2uua n LEU 142 CO 0.30 -0.93 -0.41 -0.13 -1.33 0.00 0.00 177.39 174.90 2uua s ARG 143 N -2.28 0.54 0.17 3.23 1.81 -1.26 -4.95 118.95 116.21 2uua s ARG 143 Ca 0.64 -0.76 0.06 0.00 -1.72 0.00 0.00 55.73 53.95 2uua s ARG 143 Cb -0.50 -0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 33.63 2uua s ARG 143 CO 0.56 0.06 0.04 0.99 -0.68 0.00 0.00 175.30 176.27 2uua s THR 144 N -1.35 3.96 0.24 0.02 2.01 -1.26 -4.66 115.64 114.60 2uua s THR 144 Ca -0.09 -1.30 -0.10 0.00 0.31 0.00 0.00 61.69 60.51 2uua s THR 144 Cb -0.10 -2.99 0.32 0.00 0.01 0.00 0.00 72.50 69.75 2uua s THR 144 CO 0.00 -0.09 1.60 0.50 -0.69 0.00 0.00 174.62 175.95 2uua h LYS 145 N 2.67 0.02 -0.02 4.92 3.64 -1.99 0.47 116.57 126.28 2uua h LYS 145 Ca -0.47 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 2uua h LYS 145 Cb 1.20 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2uua h LYS 145 CO 0.60 0.01 -0.36 0.00 -2.27 0.00 0.00 179.45 177.43 2uua h ALA 146 N 1.78 -0.53 -0.58 5.00 0.00 -1.98 0.27 119.26 123.22 2uua h ALA 146 Ca 0.39 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2uua h ALA 146 Cb 0.63 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2uua h ALA 146 CO -0.79 -0.87 0.19 -0.44 0.00 0.00 0.00 179.25 177.34 2uua h ASP 147 N -0.50 0.16 0.42 0.00 3.32 -0.60 0.32 116.42 119.55 2uua h ASP 147 Ca 0.06 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2uua h ASP 147 Cb 0.60 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2uua h ASP 147 CO -0.30 0.10 -0.26 0.58 -1.72 0.00 0.00 179.24 177.64 2uua h VAL 148 N 0.36 0.46 -0.04 -1.35 2.07 -0.07 0.10 116.25 117.77 2uua h VAL 148 Ca 0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 2uua h VAL 148 Cb 0.38 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2uua h VAL 148 CO -0.32 0.00 0.04 1.05 0.02 0.00 0.00 177.57 178.37 2uua h GLU 149 N -0.66 0.00 0.03 1.57 4.11 -0.45 0.41 114.58 119.59 2uua h GLU 149 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2uua h GLU 149 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2uua h GLU 149 CO 0.05 0.00 -0.02 -0.09 0.07 0.00 0.00 179.01 179.02 2uua h ARG 150 N 0.00 -0.04 -0.58 1.06 1.12 0.11 -2.40 114.38 113.65 2uua h ARG 150 Ca 0.02 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.82 2uua h ARG 150 Cb 0.11 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 2uua h ARG 150 CO -0.00 0.25 0.05 -0.07 -3.11 0.00 0.00 179.97 177.09 2uua h LEU 151 N -0.33 0.92 -0.55 3.80 4.07 0.78 -3.11 115.31 120.89 2uua h LEU 151 Ca -0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2uua h LEU 151 Cb 0.31 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2uua h LEU 151 CO 0.01 0.95 0.00 0.54 -1.08 0.00 0.00 178.44 178.86 2uua n ARG 152 N -4.21 1.37 0.07 1.13 1.74 -0.03 -4.23 116.66 112.51 2uua n ARG 152 Ca 0.03 -0.55 -0.11 0.00 -0.77 0.00 0.00 57.85 56.45 2uua n ARG 152 Cb 0.30 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 2uua n ARG 152 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2uua h LYS 153 N 1.26 -0.25 -3.50 5.56 3.64 -1.35 -3.50 116.57 118.43 2uua h LYS 153 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2uua h LYS 153 Cb 0.27 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2uua h LYS 153 CO 0.00 0.16 -0.06 0.41 -2.27 0.00 0.00 179.45 177.69 2uua n GLY 154 N 0.42 -0.18 0.00 5.01 0.00 -1.26 -5.15 105.19 104.03 2uua n GLY 154 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2uua n GLY 154 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48