#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n LEU 2 N 0.00 0.00 0.00 -0.89 7.94 -1.26 -4.99 117.00 117.79 2x9s n LEU 2 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 2x9s n LEU 2 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 2x9s n LEU 2 CO 0.00 0.00 0.14 1.15 -1.11 0.00 0.00 177.39 177.57 2x9s n MET 3 N 0.00 0.66 -3.47 1.96 0.00 -1.26 -4.46 117.12 110.55 2x9s n MET 3 Ca 0.00 -3.36 -0.38 0.00 0.00 0.00 0.00 57.70 53.96 2x9s n MET 3 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 33.22 33.37 2x9s n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2x9s s PRO 4 N -4.35 4.00 0.34 3.17 0.04 -1.26 -4.99 135.00 131.95 2x9s s PRO 4 Ca 0.39 0.41 0.12 0.00 0.04 0.00 0.00 61.00 61.95 2x9s s PRO 4 Cb -0.03 -3.26 0.93 0.00 0.04 0.00 0.00 34.50 32.17 2x9s s PRO 4 CO 0.25 0.59 1.76 0.00 0.04 0.00 0.00 177.00 179.63 2x9s h ARG 5 N 5.10 0.54 -3.78 4.56 3.08 -2.00 -3.43 114.38 118.45 2x9s h ARG 5 Ca -0.49 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.44 2x9s h ARG 5 Cb 1.21 -0.12 -0.13 0.00 0.08 0.00 0.00 29.97 31.00 2x9s h ARG 5 CO 0.64 0.36 -0.32 1.03 -1.07 0.00 0.00 179.97 180.61 2x9s s ARG 6 N -5.69 0.95 -0.16 0.04 0.52 -1.26 -5.17 118.95 108.17 2x9s s ARG 6 Ca -0.10 -0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 53.92 2x9s s ARG 6 Cb 0.26 0.37 0.05 0.00 0.52 0.00 0.00 34.95 36.15 2x9s s ARG 6 CO 0.80 -0.33 0.53 -1.64 0.02 0.00 0.00 175.30 174.68 2x9s s MET 7 N -3.88 0.68 0.37 3.54 -1.94 -1.26 -5.03 119.30 111.77 2x9s s MET 7 Ca 0.08 0.58 0.09 0.00 -1.71 0.00 0.00 55.69 54.73 2x9s s MET 7 Cb 0.04 0.33 0.72 0.00 2.01 0.00 0.00 34.83 37.92 2x9s s MET 7 CO -0.08 -0.12 1.87 0.87 -0.01 0.00 0.00 175.02 177.55 2x9s h LYS 8 N 4.86 0.23 -4.80 2.03 1.57 -2.02 -3.43 116.57 115.01 2x9s h LYS 8 Ca -0.28 -0.06 -0.38 0.00 -1.87 0.00 0.00 60.65 58.06 2x9s h LYS 8 Cb 1.17 -0.03 -0.26 0.00 0.08 0.00 0.00 32.23 33.19 2x9s h LYS 8 CO 0.22 0.42 -0.77 0.71 -0.57 0.00 0.00 179.45 179.46 2x9s s TYR 9 N -4.59 0.85 -0.04 -1.35 1.51 -1.26 -5.07 117.35 107.40 2x9s s TYR 9 Ca -0.05 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 2x9s s TYR 9 Cb 0.15 -0.52 -0.30 0.00 -0.11 0.00 0.00 41.96 41.18 2x9s s TYR 9 CO 0.74 -0.01 0.70 -0.09 -1.11 0.00 0.00 175.55 175.77 2x9s h ARG 10 N 5.41 0.36 -6.55 -0.62 2.43 -2.03 -3.46 114.38 109.92 2x9s h ARG 10 Ca -0.33 -0.62 -0.69 0.00 -0.81 0.00 0.00 59.98 57.53 2x9s h ARG 10 Cb 1.19 0.23 -0.23 0.00 -0.42 0.00 0.00 29.97 30.73 2x9s h ARG 10 CO 0.47 1.27 -0.81 0.15 -1.51 0.00 0.00 179.97 179.53 2x9s s LYS 11 N -2.59 2.13 -0.00 0.20 1.02 -1.26 -4.76 119.74 114.48 2x9s s LYS 11 Ca -0.15 -0.94 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 2x9s s LYS 11 Cb 0.06 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2x9s s LYS 11 CO 0.85 0.55 0.09 1.14 -0.92 0.00 0.00 175.35 177.07 2x9s s GLN 12 N -1.21 0.37 0.42 1.68 -2.07 -1.26 -5.08 119.66 112.51 2x9s s GLN 12 Ca 0.13 -0.33 -0.22 0.00 -1.82 0.00 0.00 55.36 53.12 2x9s s GLN 12 Cb -0.10 0.15 -0.12 0.00 -1.09 0.00 0.00 33.01 31.84 2x9s s GLN 12 CO 0.03 -0.08 0.57 1.04 -1.32 0.00 0.00 175.29 175.54 2x9s n GLN 13 N 1.82 0.61 0.13 9.60 6.02 -1.26 -4.90 117.38 129.41 2x9s n GLN 13 Ca -0.21 0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 2x9s n GLN 13 Cb 0.56 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 2x9s n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2x9s h ARG 14 N 0.83 -0.28 0.00 -1.09 3.08 -2.01 -3.49 114.38 111.42 2x9s h ARG 14 Ca -0.41 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2x9s h ARG 14 Cb 1.40 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2x9s h ARG 14 CO 0.52 -0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.64 2x9s n GLY 15 N -1.23 -0.14 2.89 0.04 0.00 -1.26 -5.03 105.19 100.46 2x9s n GLY 15 Ca -0.09 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 2x9s n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s n ARG 16 N 1.19 0.79 -3.46 1.61 5.12 -1.26 -5.14 116.66 115.51 2x9s n ARG 16 Ca 0.00 -1.93 -0.28 0.00 -1.93 0.00 0.00 57.85 53.70 2x9s n ARG 16 Cb 0.00 2.19 -0.11 0.00 -1.16 0.00 0.00 32.46 33.38 2x9s n ARG 16 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2x9s s LEU 17 N 0.00 1.20 -0.11 0.55 1.43 -1.26 -5.10 118.68 115.39 2x9s s LEU 17 Ca 0.16 -2.48 -0.25 0.00 -1.03 0.00 0.00 54.13 50.53 2x9s s LEU 17 Cb -0.03 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 2x9s s LEU 17 CO 0.12 -0.27 0.81 -0.54 0.23 0.00 0.00 176.35 176.71 2x9s s LYS 18 N 0.73 4.39 0.87 1.70 3.01 -1.26 -5.02 119.74 124.15 2x9s s LYS 18 Ca 0.22 1.04 -0.20 0.00 -1.01 0.00 0.00 55.97 56.02 2x9s s LYS 18 Cb -0.15 -3.51 -0.13 0.00 -1.01 0.00 0.00 37.83 33.03 2x9s s LYS 18 CO -0.05 -0.15 -1.06 0.41 0.51 0.00 0.00 175.35 175.00 2x9s n GLY 19 N 3.25 -2.43 0.00 -3.33 0.00 -1.26 -4.86 105.19 96.56 2x9s n GLY 19 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2x9s n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s n ALA 20 N -3.41 -2.24 0.93 4.61 0.00 -1.26 -4.87 120.51 114.29 2x9s n ALA 20 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2x9s n ALA 20 Cb 0.54 -0.45 0.50 0.00 0.00 0.00 0.00 19.45 20.03 2x9s n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2x9s n THR 21 N -0.37 0.09 0.00 0.00 -1.04 -1.07 -4.61 114.28 107.29 2x9s n THR 21 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2x9s n THR 21 Cb 0.00 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 2x9s n THR 21 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2x9s n LYS 22 N -1.63 0.00 -3.67 -2.82 4.81 -1.26 -4.70 118.16 108.89 2x9s n LYS 22 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 2x9s n LYS 22 Cb 0.36 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.35 2x9s n LYS 22 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2x9s s GLY 23 N 0.00 -0.25 0.00 3.14 0.00 -1.26 -4.93 107.32 104.02 2x9s s GLY 23 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2x9s s GLY 23 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.60 2x9s n GLY 24 N 0.27 0.96 0.04 0.20 0.00 -1.26 -4.87 105.19 100.54 2x9s n GLY 24 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2x9s n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x9s n ASP 25 N 0.00 0.26 -4.59 1.61 5.75 -1.26 -1.27 116.55 117.06 2x9s n ASP 25 Ca 0.00 0.55 -0.25 0.00 -0.01 0.00 0.00 54.79 55.08 2x9s n ASP 25 Cb 0.00 -0.61 -0.09 0.00 -1.03 0.00 0.00 41.12 39.39 2x9s n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2x9s s TYR 26 N -3.08 2.48 0.00 2.11 -0.85 -1.26 -4.73 117.35 112.02 2x9s s TYR 26 Ca 0.09 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 2x9s s TYR 26 Cb 0.12 -1.38 0.00 0.00 0.38 0.00 0.00 41.96 41.09 2x9s s TYR 26 CO 0.41 0.55 0.62 0.28 -1.52 0.00 0.00 175.55 175.89 2x9s n VAL 27 N -0.86 0.00 -0.76 -3.49 0.31 -1.26 -4.84 118.33 107.43 2x9s n VAL 27 Ca -0.05 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 2x9s n VAL 27 Cb 0.62 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2x9s n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x9s n ALA 28 N -1.14 0.00 -0.85 3.52 0.00 -1.26 -4.73 120.51 116.05 2x9s n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x9s n ALA 28 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2x9s n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2x9s n PHE 29 N -2.07 0.00 0.00 0.00 3.01 -1.26 -5.14 117.46 112.00 2x9s n PHE 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2x9s n PHE 29 Cb 0.04 0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2x9s n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2x9s n GLY 30 N 1.35 0.82 0.04 1.37 0.00 -1.26 -5.01 105.19 102.49 2x9s n GLY 30 Ca 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 2x9s n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x9s n ASP 31 N 0.00 3.22 -4.13 1.61 8.00 0.20 -4.91 116.55 120.54 2x9s n ASP 31 Ca 0.00 -0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 2x9s n ASP 31 Cb 0.00 0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 41.55 2x9s n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2x9s s TYR 32 N -2.18 1.25 0.19 1.24 1.51 -1.18 -4.27 117.35 113.92 2x9s s TYR 32 Ca -0.05 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2x9s s TYR 32 Cb 0.02 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 41.05 2x9s s TYR 32 CO 0.29 0.01 -0.06 0.20 -1.11 0.00 0.00 175.55 174.88 2x9s s GLY 33 N -0.70 1.34 -0.29 0.71 0.00 -1.10 -1.57 107.32 105.71 2x9s s GLY 33 Ca 0.04 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 2x9s s GLY 33 CO 0.00 -1.65 -0.02 -2.27 0.00 0.00 0.00 173.10 169.16 2x9s s LEU 34 N -3.25 3.74 -0.17 0.66 2.96 -0.89 -1.18 118.68 120.55 2x9s s LEU 34 Ca 0.23 -1.22 -0.06 0.00 -0.22 0.00 0.00 54.13 52.86 2x9s s LEU 34 Cb 0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2x9s s LEU 34 CO 0.05 -0.23 0.02 0.54 -1.32 0.00 0.00 176.35 175.41 2x9s s VAL 35 N 1.25 4.42 0.21 1.68 0.11 -0.34 -0.04 120.40 127.69 2x9s s VAL 35 Ca -0.05 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2x9s s VAL 35 Cb -0.19 -2.97 -0.09 0.00 -1.53 0.00 0.00 36.38 31.60 2x9s s VAL 35 CO -0.02 0.48 1.37 0.00 -3.33 0.00 0.00 175.10 173.60 2x9s s ALA 36 N 0.33 3.58 -0.05 1.54 0.00 0.20 -2.11 121.76 125.25 2x9s s ALA 36 Ca 0.00 1.20 0.15 0.00 0.00 0.00 0.00 51.96 53.31 2x9s s ALA 36 Cb -0.13 -3.52 -0.23 0.00 0.00 0.00 0.00 23.12 19.24 2x9s s ALA 36 CO 0.01 -0.63 0.28 1.28 0.00 0.00 0.00 175.76 176.71 2x9s n LEU 37 N 2.65 0.00 -4.45 0.00 4.77 -0.36 -0.95 117.00 118.66 2x9s n LEU 37 Ca 0.07 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 2x9s n LEU 37 Cb 0.42 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2x9s n LEU 37 CO 0.59 0.07 -0.52 -1.61 -1.33 0.00 0.00 177.39 174.59 2x9s s GLU 38 N -2.93 1.60 0.37 3.23 2.02 -1.26 -4.66 118.70 117.07 2x9s s GLU 38 Ca -0.06 -1.36 -0.20 0.00 0.02 0.00 0.00 54.97 53.37 2x9s s GLU 38 Cb 0.09 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 32.26 2x9s s GLU 38 CO 0.63 0.44 0.88 -1.25 0.02 0.00 0.00 175.26 175.98 2x9s s PRO 39 N -2.38 4.23 -0.05 0.39 0.04 -1.26 -4.43 135.00 131.54 2x9s s PRO 39 Ca 0.18 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 2x9s s PRO 39 Cb -0.09 -2.40 0.13 0.00 0.04 0.00 0.00 34.50 32.17 2x9s s PRO 39 CO 0.09 0.10 1.35 0.00 0.04 0.00 0.00 177.00 178.58 2x9s s ALA 40 N -1.98 -2.40 -0.32 8.56 0.00 0.91 -4.99 121.76 121.54 2x9s s ALA 40 Ca 0.57 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 2x9s s ALA 40 Cb -0.12 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 2x9s s ALA 40 CO 0.16 -1.08 0.16 -1.58 0.00 0.00 0.00 175.76 173.43 2x9s s TRP 41 N -2.20 3.19 -0.28 0.00 0.52 -1.26 0.18 118.94 119.08 2x9s s TRP 41 Ca 0.17 -0.59 -0.12 0.00 0.02 0.00 0.00 56.10 55.59 2x9s s TRP 41 Cb 0.05 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.96 2x9s s TRP 41 CO -0.04 -0.47 0.23 0.42 0.02 0.00 0.00 176.95 177.11 2x9s s ILE 42 N 1.61 5.28 0.42 2.03 1.09 0.18 -4.89 121.20 126.93 2x9s s ILE 42 Ca 0.04 0.24 -0.24 0.00 -1.10 0.00 0.00 60.65 59.59 2x9s s ILE 42 Cb -0.17 -3.57 -0.08 0.00 -1.06 0.00 0.00 42.46 37.57 2x9s s ILE 42 CO 0.06 0.22 1.11 0.42 -0.10 0.00 0.00 174.94 176.65 2x9s s THR 43 N 1.83 3.42 0.56 2.92 -4.23 -1.26 -0.58 115.64 118.29 2x9s s THR 43 Ca 0.09 1.09 0.26 0.00 -1.18 0.00 0.00 61.69 61.95 2x9s s THR 43 Cb -0.16 -3.57 0.36 0.00 1.34 0.00 0.00 72.50 70.48 2x9s s THR 43 CO 0.11 0.01 2.05 0.00 -0.54 0.00 0.00 174.62 176.25 2x9s h ALA 44 N 2.36 2.13 0.00 3.99 0.00 -1.79 0.18 119.26 126.14 2x9s h ALA 44 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2x9s h ALA 44 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2x9s h ALA 44 CO 0.62 -0.43 0.00 -0.56 0.00 0.00 0.00 179.25 178.88 2x9s h GLN 45 N 0.00 0.00 0.00 0.00 -0.00 -1.91 0.27 115.11 113.48 2x9s h GLN 45 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.56 2x9s h GLN 45 Cb 0.68 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.12 2x9s h GLN 45 CO -0.00 0.00 -1.29 1.96 -0.00 0.00 0.00 178.83 179.49 2x9s h GLN 46 N 0.00 0.01 -0.46 0.06 4.20 -0.99 -2.40 115.11 115.52 2x9s h GLN 46 Ca 0.00 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2x9s h GLN 46 Cb 0.45 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.14 2x9s h GLN 46 CO 0.00 1.01 -0.26 0.82 -0.67 0.00 0.00 178.83 179.73 2x9s h ILE 47 N -0.96 0.30 0.21 2.54 2.04 -1.33 0.83 117.51 121.14 2x9s h ILE 47 Ca -0.35 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2x9s h ILE 47 Cb 1.33 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2x9s h ILE 47 CO -0.20 0.00 -0.31 -0.08 0.00 0.00 0.00 178.15 177.56 2x9s h GLU 48 N -0.16 -0.53 -0.86 2.37 4.57 -1.07 -1.01 114.58 117.89 2x9s h GLU 48 Ca 0.21 0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.65 2x9s h GLU 48 Cb 0.50 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 29.07 2x9s h GLU 48 CO -0.56 -0.35 0.23 0.00 -1.18 0.00 0.00 179.01 177.15 2x9s h ALA 49 N -1.13 1.23 -0.01 2.92 0.00 -0.86 0.29 119.26 121.71 2x9s h ALA 49 Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2x9s h ALA 49 Cb 0.50 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2x9s h ALA 49 CO -0.09 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 178.73 2x9s h ALA 50 N 1.75 0.02 0.25 0.00 0.00 -0.58 -0.13 119.26 120.58 2x9s h ALA 50 Ca 0.53 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2x9s h ALA 50 Cb 1.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2x9s h ALA 50 CO -0.63 -0.44 -0.35 -0.09 0.00 0.00 0.00 179.25 177.74 2x9s h ARG 51 N -0.07 -0.61 -0.92 0.00 2.43 0.36 -1.42 114.38 114.16 2x9s h ARG 51 Ca 0.00 0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.45 2x9s h ARG 51 Cb 0.09 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 29.65 2x9s h ARG 51 CO -0.00 -0.41 0.42 0.28 -1.51 0.00 0.00 179.97 178.75 2x9s h VAL 52 N -0.63 0.45 -0.88 0.20 2.07 -1.11 0.27 116.25 116.61 2x9s h VAL 52 Ca -0.03 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.50 2x9s h VAL 52 Cb 0.57 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 2x9s h VAL 52 CO -0.10 0.07 0.57 0.00 0.02 0.00 0.00 177.57 178.13 2x9s h ALA 53 N 1.73 1.85 0.21 1.67 0.00 0.03 0.11 119.26 124.87 2x9s h ALA 53 Ca 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2x9s h ALA 53 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2x9s h ALA 53 CO -0.54 -0.09 -0.10 0.52 0.00 0.00 0.00 179.25 179.04 2x9s h MET 54 N 0.67 -0.28 -0.89 0.00 2.07 0.22 -1.01 114.93 115.72 2x9s h MET 54 Ca 0.44 0.02 0.14 0.00 -2.07 0.00 0.00 59.70 58.23 2x9s h MET 54 Cb 0.72 0.06 -0.09 0.00 -1.87 0.00 0.00 31.60 30.43 2x9s h MET 54 CO -0.20 0.06 0.50 -0.39 1.07 0.00 0.00 176.91 177.95 2x9s h VAL 55 N -0.96 0.79 -0.49 -2.22 -1.51 -1.31 0.18 116.25 110.74 2x9s h VAL 55 Ca -0.03 -0.25 0.02 0.00 -1.23 0.00 0.00 66.70 65.21 2x9s h VAL 55 Cb 0.46 -0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 29.58 2x9s h VAL 55 CO 0.05 0.13 0.30 0.03 -1.23 0.00 0.00 177.57 176.85 2x9s h ARG 56 N 0.74 0.58 0.14 5.19 2.47 -0.80 0.51 114.38 123.21 2x9s h ARG 56 Ca 0.47 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 2x9s h ARG 56 Cb 0.60 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2x9s h ARG 56 CO -0.33 0.39 -0.10 1.25 0.56 0.00 0.00 179.97 181.74 2x9s h HIS 57 N 0.60 -0.27 -1.92 3.04 2.76 0.72 -3.09 115.15 116.99 2x9s h HIS 57 Ca 0.19 -0.00 -0.77 0.00 -2.20 0.00 0.00 60.37 57.59 2x9s h HIS 57 Cb -0.01 0.10 -0.23 0.00 1.55 0.00 0.00 27.41 28.82 2x9s h HIS 57 CO -0.06 -0.14 1.30 1.97 -1.30 0.00 0.00 177.93 179.70 2x9s n PHE 58 N -2.83 2.70 -1.42 5.26 1.16 -0.56 -5.01 117.46 116.76 2x9s n PHE 58 Ca -0.03 -2.55 -0.46 0.00 -1.87 0.00 0.00 57.45 52.54 2x9s n PHE 58 Cb 0.10 -1.34 -0.02 0.00 -1.61 0.00 0.00 39.48 36.60 2x9s n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2x9s n ARG 59 N 0.30 0.25 -3.25 3.97 -4.01 0.17 -3.05 116.66 111.04 2x9s n ARG 59 Ca 0.51 0.09 -0.26 0.00 -1.04 0.00 0.00 57.85 57.15 2x9s n ARG 59 Cb 0.27 -1.17 0.03 0.00 -3.04 0.00 0.00 32.46 28.55 2x9s n ARG 59 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2x9s n ARG 60 N 0.97 -2.09 0.00 2.89 1.74 -1.26 -4.97 116.66 113.93 2x9s n ARG 60 Ca 0.15 1.70 0.00 0.00 -0.77 0.00 0.00 57.85 58.93 2x9s n ARG 60 Cb 0.29 -3.43 0.00 0.00 -1.02 0.00 0.00 32.46 28.30 2x9s n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 61 N -0.18 2.70 0.00 -0.13 0.00 -1.17 -5.18 105.19 101.22 2x9s n GLY 61 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2x9s n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9s n GLY 62 N 0.00 -0.59 3.46 -0.02 0.00 -1.24 -5.02 105.19 101.78 2x9s n GLY 62 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2x9s n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x9s s LYS 63 N -0.23 2.04 -0.04 1.61 2.20 -0.36 -4.98 119.74 119.98 2x9s s LYS 63 Ca 0.00 -1.00 0.05 0.00 -0.36 0.00 0.00 55.97 54.66 2x9s s LYS 63 Cb 0.00 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 34.12 2x9s s LYS 63 CO 0.00 0.53 -0.19 0.42 -0.36 0.00 0.00 175.35 175.76 2x9s s ILE 64 N -0.95 2.69 -0.20 5.43 1.01 -1.26 -1.92 121.20 125.99 2x9s s ILE 64 Ca 0.15 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2x9s s ILE 64 Cb -0.10 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.37 2x9s s ILE 64 CO 0.06 0.59 -0.16 -0.36 0.00 0.00 0.00 174.94 175.07 2x9s s PHE 65 N -0.65 2.89 -0.46 3.97 0.08 -0.03 -5.00 117.98 118.78 2x9s s PHE 65 Ca 0.10 -1.67 -0.17 0.00 0.12 0.00 0.00 56.93 55.31 2x9s s PHE 65 Cb -0.11 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2x9s s PHE 65 CO 0.00 -0.79 0.48 0.96 -0.10 0.00 0.00 175.22 175.77 2x9s s ILE 66 N 1.29 5.08 -1.36 0.64 -4.36 -1.26 -1.79 121.20 119.42 2x9s s ILE 66 Ca 0.03 -0.63 0.30 0.00 -0.26 0.00 0.00 60.65 60.08 2x9s s ILE 66 Cb -0.14 -4.14 0.44 0.00 1.25 0.00 0.00 42.46 39.86 2x9s s ILE 66 CO -0.10 -0.58 1.98 -1.14 0.24 0.00 0.00 174.94 175.33 2x9s n ARG 67 N 5.63 0.37 -4.43 0.37 3.00 0.10 -4.87 116.66 116.83 2x9s n ARG 67 Ca -0.09 -0.04 -0.22 0.00 -0.00 0.00 0.00 57.85 57.50 2x9s n ARG 67 Cb 0.46 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.32 2x9s n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2x9s s ILE 68 N -2.66 2.07 -0.12 5.15 -4.36 -1.24 -4.94 121.20 115.09 2x9s s ILE 68 Ca 0.25 -2.27 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 2x9s s ILE 68 Cb 0.20 -2.28 0.06 0.00 1.25 0.00 0.00 42.46 41.68 2x9s s ILE 68 CO 0.49 -0.42 0.26 0.12 0.24 0.00 0.00 174.94 175.63 2x9s s PHE 69 N -2.76 -0.39 -0.85 1.37 5.36 -1.26 -5.09 117.98 114.35 2x9s s PHE 69 Ca 0.28 0.91 -0.25 0.00 -0.96 0.00 0.00 56.93 56.91 2x9s s PHE 69 Cb -0.01 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.68 2x9s s PHE 69 CO 0.12 -0.30 1.73 -1.25 -1.46 0.00 0.00 175.22 174.06 2x9s s PRO 70 N 1.84 2.90 0.00 10.12 0.04 -1.26 -4.52 135.00 144.12 2x9s s PRO 70 Ca -0.04 -0.31 0.10 0.00 0.04 0.00 0.00 61.00 60.79 2x9s s PRO 70 Cb -0.11 -4.90 -0.03 0.00 0.04 0.00 0.00 34.50 29.50 2x9s s PRO 70 CO -0.09 -2.82 0.58 -0.40 0.04 0.00 0.00 177.00 174.32 2x9s n ASP 71 N 11.95 1.02 -4.69 6.66 5.75 -1.21 -4.41 116.55 131.62 2x9s n ASP 71 Ca 0.30 -1.01 -0.39 0.00 -0.01 0.00 0.00 54.79 53.69 2x9s n ASP 71 Cb 0.49 0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 41.14 2x9s n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2x9s s LYS 72 N -1.56 4.25 0.36 0.11 2.20 -1.01 -4.93 119.74 119.16 2x9s s LYS 72 Ca 0.07 0.41 -0.24 0.00 -0.36 0.00 0.00 55.97 55.84 2x9s s LYS 72 Cb 0.08 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.79 2x9s s LYS 72 CO 0.31 -0.02 0.97 -2.14 -0.36 0.00 0.00 175.35 174.11 2x9s s PRO 73 N 1.22 4.41 -0.18 4.03 0.02 -1.26 0.38 135.00 143.61 2x9s s PRO 73 Ca 0.24 1.33 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 2x9s s PRO 73 Cb -0.15 -2.60 -0.02 0.00 0.02 0.00 0.00 34.50 31.75 2x9s s PRO 73 CO 0.10 0.11 -0.05 -0.47 -0.33 0.00 0.00 177.00 176.36 2x9s s TYR 74 N -1.75 2.96 0.13 6.54 5.04 0.28 -4.73 117.35 125.83 2x9s s TYR 74 Ca 0.55 -0.63 0.03 0.00 -2.44 0.00 0.00 57.07 54.57 2x9s s TYR 74 Cb -0.17 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 2x9s s TYR 74 CO 0.22 -0.30 0.23 0.99 -1.34 0.00 0.00 175.55 175.35 2x9s s THR 75 N 0.91 5.13 -0.30 4.34 2.01 -1.26 0.18 115.64 126.64 2x9s s THR 75 Ca -0.01 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 2x9s s THR 75 Cb -0.15 -3.60 0.13 0.00 0.01 0.00 0.00 72.50 68.89 2x9s s THR 75 CO 0.01 -0.04 0.67 -0.75 -0.69 0.00 0.00 174.62 173.82 2x9s s LYS 76 N -3.03 0.56 0.93 4.92 2.47 -0.18 -4.80 119.74 120.60 2x9s s LYS 76 Ca 0.34 1.40 -0.12 0.00 -1.56 0.00 0.00 55.97 56.04 2x9s s LYS 76 Cb -0.11 0.85 0.15 0.00 -1.46 0.00 0.00 37.83 37.25 2x9s s LYS 76 CO 0.27 -0.20 1.09 0.15 0.16 0.00 0.00 175.35 176.82 2x9s s LYS 77 N 2.87 1.00 1.20 4.03 1.02 -1.26 -3.20 119.74 125.39 2x9s s LYS 77 Ca -0.05 0.90 -0.19 0.00 0.02 0.00 0.00 55.97 56.64 2x9s s LYS 77 Cb -0.12 -1.77 0.29 0.00 -0.52 0.00 0.00 37.83 35.71 2x9s s LYS 77 CO -0.19 -2.44 1.13 -2.14 -0.92 0.00 0.00 175.35 170.79 2x9s s PRO 78 N -4.85 -1.17 0.40 -1.68 0.02 -1.26 -4.96 135.00 121.49 2x9s s PRO 78 Ca 0.64 -0.14 -0.09 0.00 0.02 0.00 0.00 61.00 61.44 2x9s s PRO 78 Cb -0.19 -1.61 -0.06 0.00 0.02 0.00 0.00 34.50 32.66 2x9s s PRO 78 CO 0.58 -3.67 0.74 -0.51 -0.33 0.00 0.00 177.00 173.81 2x9s s LEU 79 N -6.88 3.84 -1.98 -5.54 1.43 -1.26 -4.03 118.68 104.27 2x9s s LEU 79 Ca 0.72 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2x9s s LEU 79 Cb -0.09 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2x9s s LEU 79 CO 0.56 -0.39 0.00 -0.62 0.23 0.00 0.00 176.35 176.13 2x9s n GLU 80 N -1.34 -1.48 -4.10 1.70 1.02 -1.26 -4.97 120.64 110.21 2x9s n GLU 80 Ca 0.02 1.10 -0.32 0.00 -0.02 0.00 0.00 57.16 57.94 2x9s n GLU 80 Cb 0.54 -5.50 -0.07 0.00 -0.02 0.00 0.00 31.44 26.39 2x9s n GLU 80 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2x9s s VAL 81 N -2.68 4.56 0.79 2.62 -7.23 -1.26 -5.11 120.40 112.10 2x9s s VAL 81 Ca 0.00 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 2x9s s VAL 81 Cb 0.00 -3.13 0.18 0.00 0.56 0.00 0.00 36.38 33.99 2x9s s VAL 81 CO 0.00 0.25 1.08 0.54 -0.31 0.00 0.00 175.10 176.65 2x9s n ARG 82 N 0.87 -0.95 -1.52 4.82 1.74 -1.26 -5.00 116.66 115.37 2x9s n ARG 82 Ca -0.11 -1.79 -0.30 0.00 -0.77 0.00 0.00 57.85 54.88 2x9s n ARG 82 Cb 0.52 -1.07 0.08 0.00 -1.02 0.00 0.00 32.46 30.97 2x9s n ARG 82 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2x9s s MET 83 N -5.33 2.34 1.06 5.56 -1.94 -1.26 -4.93 119.30 114.81 2x9s s MET 83 Ca 0.62 0.79 0.00 0.00 -1.71 0.00 0.00 55.69 55.39 2x9s s MET 83 Cb -0.02 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.89 2x9s s MET 83 CO 0.43 -1.48 0.00 0.41 -0.01 0.00 0.00 175.02 174.38 2x9s n GLY 84 N -1.96 -1.88 2.07 -0.03 0.00 -1.26 -4.98 105.19 97.15 2x9s n GLY 84 Ca 0.07 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 2x9s n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x9s n LYS 85 N -0.67 -0.27 0.00 1.61 4.01 -1.26 -4.91 118.16 116.67 2x9s n LYS 85 Ca 0.00 0.25 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 2x9s n LYS 85 Cb 0.02 -3.94 0.00 0.00 -0.51 0.00 0.00 35.03 30.61 2x9s n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2x9s n GLY 86 N -1.29 1.70 3.77 0.72 0.00 -1.26 -5.01 105.19 103.82 2x9s n GLY 86 Ca -0.04 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2x9s n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x9s s LYS 87 N -2.64 3.99 0.18 1.61 2.20 -1.26 -5.03 119.74 118.79 2x9s s LYS 87 Ca 0.00 1.77 -0.03 0.00 -0.36 0.00 0.00 55.97 57.35 2x9s s LYS 87 Cb 0.00 -2.58 0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2x9s s LYS 87 CO 0.00 -0.36 0.10 0.41 -0.36 0.00 0.00 175.35 175.14 2x9s n GLY 88 N 0.54 -3.18 3.79 5.54 0.00 -1.26 -5.02 105.19 105.59 2x9s n GLY 88 Ca 0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2x9s n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x9s s ASN 89 N -1.97 5.58 0.03 1.61 0.02 -1.20 -4.74 114.94 114.27 2x9s s ASN 89 Ca 0.08 -0.03 -0.30 0.00 -1.02 0.00 0.00 52.86 51.58 2x9s s ASN 89 Cb -0.01 -1.50 -0.06 0.00 0.02 0.00 0.00 41.25 39.70 2x9s s ASN 89 CO 0.07 0.14 1.40 -0.69 0.02 0.00 0.00 177.10 178.04 2x9s s VAL 90 N -1.51 3.60 -0.61 1.60 1.01 -1.26 -1.01 120.40 122.23 2x9s s VAL 90 Ca 0.30 1.04 0.20 0.00 0.00 0.00 0.00 61.98 63.52 2x9s s VAL 90 Cb -0.12 -3.67 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 2x9s s VAL 90 CO 0.23 0.02 0.71 -0.62 0.00 0.00 0.00 175.10 175.43 2x9s n GLU 91 N 5.01 0.45 -3.56 2.72 -0.58 0.46 -4.93 120.64 120.22 2x9s n GLU 91 Ca 0.13 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2x9s n GLU 91 Cb 0.43 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2x9s n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x9s n GLY 92 N 1.42 -0.85 3.20 0.62 0.00 -1.23 -4.99 105.19 103.35 2x9s n GLY 92 Ca 0.01 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2x9s n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x9s s TYR 93 N -3.00 1.13 0.03 1.61 1.51 -1.26 -0.55 117.35 116.82 2x9s s TYR 93 Ca 0.00 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.38 2x9s s TYR 93 Cb 0.00 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 2x9s s TYR 93 CO 0.00 0.03 -0.01 0.14 -1.11 0.00 0.00 175.55 174.60 2x9s s VAL 94 N -2.58 0.14 -0.15 0.71 -7.23 0.16 -2.09 120.40 109.36 2x9s s VAL 94 Ca 0.08 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 2x9s s VAL 94 Cb -0.02 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 2x9s s VAL 94 CO 0.00 -0.63 0.03 0.00 -0.31 0.00 0.00 175.10 174.19 2x9s s ALA 95 N -2.22 3.33 -0.03 1.32 0.00 0.26 -2.41 121.76 122.00 2x9s s ALA 95 Ca -0.09 -0.76 -0.28 0.00 0.00 0.00 0.00 51.96 50.83 2x9s s ALA 95 Cb -0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2x9s s ALA 95 CO -0.04 0.30 0.88 0.08 0.00 0.00 0.00 175.76 176.98 2x9s s VAL 96 N 0.03 4.93 -0.06 0.00 1.01 -1.26 -0.64 120.40 124.41 2x9s s VAL 96 Ca 0.04 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.90 2x9s s VAL 96 Cb -0.12 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 2x9s s VAL 96 CO 0.01 0.19 -0.22 -0.69 0.00 0.00 0.00 175.10 174.39 2x9s s VAL 97 N 0.98 1.82 0.39 2.92 1.01 0.13 -4.97 120.40 122.68 2x9s s VAL 97 Ca 0.46 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.60 2x9s s VAL 97 Cb -0.20 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 2x9s s VAL 97 CO 0.24 0.51 0.09 -0.54 0.00 0.00 0.00 175.10 175.40 2x9s s LYS 98 N 0.04 2.12 0.12 2.72 1.02 -1.26 -0.07 119.74 124.43 2x9s s LYS 98 Ca -0.07 -1.89 -0.31 0.00 0.02 0.00 0.00 55.97 53.72 2x9s s LYS 98 Cb -0.14 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 2x9s s LYS 98 CO 0.04 -0.03 1.65 -2.14 -0.92 0.00 0.00 175.35 173.95 2x9s s PRO 99 N -3.80 4.19 0.00 -1.68 0.02 -1.26 -2.91 135.00 129.56 2x9s s PRO 99 Ca 0.38 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2x9s s PRO 99 Cb 0.04 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2x9s s PRO 99 CO 0.20 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2x9s n GLY 100 N 3.94 2.15 3.73 0.52 0.00 -0.12 -2.59 105.19 112.82 2x9s n GLY 100 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x9s n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x9s s ARG 101 N -0.51 4.29 -0.49 1.61 6.06 -1.14 -4.24 118.95 124.52 2x9s s ARG 101 Ca 0.00 2.21 -0.22 0.00 -2.50 0.00 0.00 55.73 55.22 2x9s s ARG 101 Cb 0.00 -3.18 0.04 0.00 0.06 0.00 0.00 34.95 31.87 2x9s s ARG 101 CO 0.00 -0.46 0.74 0.08 -2.50 0.00 0.00 175.30 173.16 2x9s s VAL 102 N 0.74 4.70 0.02 7.11 1.01 -0.39 -0.63 120.40 132.95 2x9s s VAL 102 Ca 0.64 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 2x9s s VAL 102 Cb -0.40 -4.34 -0.35 0.00 0.00 0.00 0.00 36.38 31.30 2x9s s VAL 102 CO 0.34 -0.81 0.99 0.24 0.00 0.00 0.00 175.10 175.87 2x9s h MET 103 N 9.04 0.52 -5.02 2.72 0.00 -0.77 -3.43 114.93 117.98 2x9s h MET 103 Ca -0.26 -0.86 -0.37 0.00 0.00 0.00 0.00 59.70 58.21 2x9s h MET 103 Cb 1.09 0.32 -0.14 0.00 0.00 0.00 0.00 31.60 32.86 2x9s h MET 103 CO 0.97 1.41 -0.65 -0.06 0.00 0.00 0.00 176.91 178.59 2x9s s PHE 104 N -2.61 1.54 -0.02 -0.22 2.99 -1.20 0.01 117.98 118.46 2x9s s PHE 104 Ca -0.10 -0.99 -0.17 0.00 0.00 0.00 0.00 56.93 55.67 2x9s s PHE 104 Cb 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 43.02 42.18 2x9s s PHE 104 CO 0.93 -0.11 0.37 -1.21 -0.00 0.00 0.00 175.22 175.19 2x9s s GLU 105 N -3.90 0.72 0.05 0.44 2.02 -0.74 -2.10 118.70 115.19 2x9s s GLU 105 Ca 0.30 -0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.21 2x9s s GLU 105 Cb 0.06 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.59 2x9s s GLU 105 CO 0.09 -0.20 -0.08 0.14 0.02 0.00 0.00 175.26 175.23 2x9s s VAL 106 N -1.27 0.59 0.08 2.63 -7.23 -0.61 -0.85 120.40 113.74 2x9s s VAL 106 Ca -0.13 -1.18 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 2x9s s VAL 106 Cb -0.04 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.17 2x9s s VAL 106 CO 0.05 -0.42 0.31 0.00 -0.31 0.00 0.00 175.10 174.73 2x9s s ALA 107 N -1.60 -0.66 -1.22 1.32 0.00 -0.81 0.62 121.76 119.41 2x9s s ALA 107 Ca -0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2x9s s ALA 107 Cb -0.08 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2x9s s ALA 107 CO 0.00 -0.50 0.65 0.41 0.00 0.00 0.00 175.76 176.31 2x9s n GLY 108 N 0.19 -0.29 2.96 0.00 0.00 -1.26 -1.23 105.19 105.56 2x9s n GLY 108 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2x9s n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 109 N -3.12 0.04 0.69 1.61 1.01 -1.26 -3.59 120.40 115.77 2x9s s VAL 109 Ca 0.32 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 2x9s s VAL 109 Cb -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2x9s s VAL 109 CO 0.40 -0.16 1.19 0.35 0.00 0.00 0.00 175.10 176.88 2x9s n THR 110 N 2.52 3.96 0.29 3.92 -2.24 -1.26 -4.67 114.28 116.81 2x9s n THR 110 Ca -0.16 -0.42 0.15 0.00 -2.27 0.00 0.00 64.05 61.34 2x9s n THR 110 Cb 0.58 -1.34 0.89 0.00 -2.10 0.00 0.00 70.33 68.36 2x9s n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2x9s h GLU 111 N 0.12 0.00 0.38 -0.78 4.81 -2.01 0.30 114.58 117.40 2x9s h GLU 111 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2x9s h GLU 111 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2x9s h GLU 111 CO 0.50 0.02 -0.18 1.49 -0.73 0.00 0.00 179.01 180.11 2x9s h GLU 112 N 0.00 -0.49 -0.89 1.92 4.81 -2.00 -2.91 114.58 115.03 2x9s h GLU 112 Ca -0.00 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.43 2x9s h GLU 112 Cb 0.04 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 2x9s h GLU 112 CO 0.00 -0.25 0.46 1.96 -0.73 0.00 0.00 179.01 180.46 2x9s h GLN 113 N -1.08 0.60 0.42 1.92 4.20 -1.71 -2.22 115.11 117.24 2x9s h GLN 113 Ca -0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2x9s h GLN 113 Cb 0.47 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2x9s h GLN 113 CO 0.08 0.39 -0.32 0.00 -0.67 0.00 0.00 178.83 178.32 2x9s h ALA 114 N 1.60 -0.74 -0.61 3.87 0.00 -0.48 0.81 119.26 123.71 2x9s h ALA 114 Ca 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2x9s h ALA 114 Cb 0.77 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2x9s h ALA 114 CO -0.39 -0.94 0.00 -1.33 0.00 0.00 0.00 179.25 176.58 2x9s n MET 115 N -5.44 0.00 -0.31 0.00 2.81 -0.97 -1.55 117.12 111.66 2x9s n MET 115 Ca -0.11 0.55 0.11 0.00 -1.81 0.00 0.00 57.70 56.44 2x9s n MET 115 Cb 0.34 -1.40 0.22 0.00 -0.71 0.00 0.00 33.22 31.67 2x9s n MET 115 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2x9s n GLU 116 N -1.96 -0.07 0.02 0.03 4.07 -0.87 -0.79 120.64 121.06 2x9s n GLU 116 Ca 0.00 1.33 -0.03 0.00 -0.06 0.00 0.00 57.16 58.40 2x9s n GLU 116 Cb 0.00 -2.07 -0.01 0.00 -0.06 0.00 0.00 31.44 29.30 2x9s n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2x9s h ALA 117 N 1.75 -0.66 -0.44 4.31 0.00 -0.40 -2.27 119.26 121.54 2x9s h ALA 117 Ca 0.50 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.48 2x9s h ALA 117 Cb 0.95 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2x9s h ALA 117 CO -0.85 -0.68 0.31 -0.07 0.00 0.00 0.00 179.25 177.96 2x9s h LEU 118 N -0.12 0.15 -1.30 0.00 3.38 -0.10 -0.71 115.31 116.61 2x9s h LEU 118 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2x9s h LEU 118 Cb 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2x9s h LEU 118 CO -0.04 0.09 0.07 -0.09 0.09 0.00 0.00 178.44 178.57 2x9s h ARG 119 N 0.17 0.54 -0.03 1.13 2.43 -0.55 -1.27 114.38 116.79 2x9s h ARG 119 Ca 0.21 -0.09 -0.23 0.00 -0.81 0.00 0.00 59.98 59.05 2x9s h ARG 119 Cb 0.59 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2x9s h ARG 119 CO -0.03 0.52 -0.92 0.82 -1.51 0.00 0.00 179.97 178.84 2x9s h ILE 120 N 0.53 1.34 0.00 1.20 1.08 -0.58 -3.22 117.51 117.86 2x9s h ILE 120 Ca 0.12 -2.28 -0.06 0.00 -0.39 0.00 0.00 64.86 62.26 2x9s h ILE 120 Cb 0.23 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 2x9s h ILE 120 CO -0.00 0.69 -0.29 0.00 -0.69 0.00 0.00 178.15 177.86 2x9s h ALA 121 N 0.64 1.51 0.00 1.87 0.00 -1.00 -2.23 119.26 120.05 2x9s h ALA 121 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2x9s h ALA 121 Cb 1.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2x9s h ALA 121 CO 0.17 0.37 0.00 0.78 0.00 0.00 0.00 179.25 180.57 2x9s h GLY 122 N 0.89 0.00 0.73 0.00 0.00 -1.26 -2.67 103.07 100.75 2x9s h GLY 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x9s h GLY 122 CO 0.04 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.00 2x9s n HIS 123 N -2.77 0.01 0.35 5.60 -0.00 -0.84 -2.54 115.22 115.02 2x9s n HIS 123 Ca 0.03 -0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.79 2x9s n HIS 123 Cb 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.39 2x9s n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2x9s n LYS 124 N -0.81 2.22 -3.77 -0.41 4.76 -1.01 -4.99 118.16 114.16 2x9s n LYS 124 Ca 0.21 -0.53 -0.36 0.00 -2.87 0.00 0.00 58.31 54.76 2x9s n LYS 124 Cb 0.13 -1.01 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 2x9s n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x9s s LEU 125 N -1.47 4.33 0.00 -0.35 1.43 -1.05 -4.87 118.68 116.70 2x9s s LEU 125 Ca 0.06 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2x9s s LEU 125 Cb 0.06 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2x9s s LEU 125 CO 0.20 0.30 0.48 -0.81 0.23 0.00 0.00 176.35 176.75 2x9s n PRO 126 N 2.59 0.03 -1.45 1.29 -0.04 -1.26 -4.72 135.00 131.45 2x9s n PRO 126 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2x9s n PRO 126 Cb 0.54 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2x9s n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2x9s n ILE 127 N -0.93 0.00 -4.03 0.52 -5.35 -1.26 -5.09 119.36 103.21 2x9s n ILE 127 Ca 0.01 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.16 2x9s n ILE 127 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 2x9s n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2x9s s LYS 128 N -1.17 3.19 0.35 6.28 1.02 -1.26 -4.95 119.74 123.19 2x9s s LYS 128 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.59 2x9s s LYS 128 Cb 0.00 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2x9s s LYS 128 CO 0.00 0.66 0.09 0.25 -0.92 0.00 0.00 175.35 175.43 2x9s n THR 129 N 1.13 0.00 -3.72 2.17 -2.24 -1.26 -1.23 114.28 109.13 2x9s n THR 129 Ca -0.13 -1.93 -0.14 0.00 -2.27 0.00 0.00 64.05 59.59 2x9s n THR 129 Cb 0.53 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 2x9s n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2x9s s LYS 130 N -3.32 0.59 -0.05 -0.78 2.20 -0.90 -4.88 119.74 112.61 2x9s s LYS 130 Ca 0.12 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2x9s s LYS 130 Cb 0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 2x9s s LYS 130 CO 0.09 -0.11 0.03 0.42 -0.36 0.00 0.00 175.35 175.41 2x9s s ILE 131 N -0.28 4.48 0.34 5.43 1.01 -1.26 -1.20 121.20 129.72 2x9s s ILE 131 Ca -0.04 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2x9s s ILE 131 Cb -0.03 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2x9s s ILE 131 CO 0.02 0.51 0.10 0.68 0.00 0.00 0.00 174.94 176.25 2x9s s VAL 132 N -1.01 0.79 0.00 2.92 -7.23 -0.32 -4.97 120.40 110.59 2x9s s VAL 132 Ca 0.17 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2x9s s VAL 132 Cb -0.12 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2x9s s VAL 132 CO 0.07 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.72 2x9s n ARG 133 N -0.70 0.00 0.00 4.82 0.63 -1.26 -2.69 116.66 117.45 2x9s n ARG 133 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2x9s n ARG 133 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 2x9s n ARG 133 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2x9s n ARG 134 N 0.00 0.00 0.00 -0.14 5.12 -1.26 -4.22 116.66 116.16 2x9s n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2x9s n ARG 134 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2x9s n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2x9s n ASP 135 N 0.00 0.00 -0.00 0.55 5.75 -1.26 -4.90 116.55 116.69 2x9s n ASP 135 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 2x9s n ASP 135 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 2x9s n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x9s n ALA 136 N 0.00 3.66 -0.28 2.12 0.00 -1.26 -4.45 120.51 120.30 2x9s n ALA 136 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2x9s n ALA 136 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2x9s n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x9s n TYR 137 N -1.33 0.00 -3.53 0.00 0.53 -1.26 -4.26 117.16 107.31 2x9s n TYR 137 Ca 0.02 -0.64 -0.27 0.00 -1.02 0.00 0.00 57.90 55.99 2x9s n TYR 137 Cb 0.21 -0.40 -0.10 0.00 -1.03 0.00 0.00 39.34 38.02 2x9s n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2x9s n ASP 138 N 1.62 1.85 -1.04 7.72 8.00 -1.26 -4.13 116.55 129.31 2x9s n ASP 138 Ca 0.00 -2.98 -0.01 0.00 0.71 0.00 0.00 54.79 52.52 2x9s n ASP 138 Cb 0.33 -0.67 0.10 0.00 -0.02 0.00 0.00 41.12 40.86 2x9s n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2x9s n GLU 139 N 1.79 1.93 -0.34 -1.24 4.71 -1.26 -4.38 120.64 121.85 2x9s n GLU 139 Ca 0.25 -0.92 0.21 0.00 -0.01 0.00 0.00 57.16 56.69 2x9s n GLU 139 Cb 0.43 -1.62 0.43 0.00 -1.01 0.00 0.00 31.44 29.68 2x9s n GLU 139 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2x9s h ALA 140 N 2.34 1.90 0.00 0.62 0.00 -1.95 -3.55 119.26 118.62 2x9s h ALA 140 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2x9s h ALA 140 Cb 1.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2x9s h ALA 140 CO 0.20 -0.44 0.00 0.94 0.00 0.00 0.00 179.25 179.95