#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n PHE 2 N 0.00 0.00 -0.52 1.12 7.35 -1.26 -4.85 117.46 119.30 2x9s n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2x9s n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2x9s n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2x9s n ALA 3 N -3.00 -2.37 -3.79 3.13 0.00 -1.26 -4.12 120.51 109.10 2x9s n ALA 3 Ca 0.00 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 2x9s n ALA 3 Cb 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 2x9s n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x9s s ILE 4 N -1.67 2.71 0.10 0.00 1.01 -1.05 -2.18 121.20 120.13 2x9s s ILE 4 Ca 0.00 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 59.46 2x9s s ILE 4 Cb 0.00 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2x9s s ILE 4 CO 0.00 0.08 -0.08 0.54 0.00 0.00 0.00 174.94 175.48 2x9s s VAL 5 N 1.25 3.53 -0.14 2.92 0.11 -0.27 -1.96 120.40 125.84 2x9s s VAL 5 Ca -0.03 -1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 57.77 2x9s s VAL 5 Cb -0.18 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 2x9s s VAL 5 CO -0.04 0.12 0.06 -0.75 -3.33 0.00 0.00 175.10 171.16 2x9s s LYS 6 N -2.21 3.60 -0.25 1.54 2.20 -1.25 -0.68 119.74 122.70 2x9s s LYS 6 Ca 0.22 -0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.25 2x9s s LYS 6 Cb -0.11 -3.09 0.08 0.00 -1.51 0.00 0.00 37.83 33.20 2x9s s LYS 6 CO 0.15 0.48 0.77 -0.08 -0.36 0.00 0.00 175.35 176.31 2x9s s THR 7 N -0.23 0.00 -1.19 3.43 -1.32 0.30 -4.68 115.64 111.95 2x9s s THR 7 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2x9s s THR 7 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2x9s s THR 7 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2x9s n GLY 8 N 2.38 1.22 1.56 6.08 0.00 -1.26 -1.81 105.19 113.36 2x9s n GLY 8 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2x9s n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9s n GLY 9 N -1.36 0.52 3.32 -0.02 0.00 -1.26 -5.02 105.19 101.38 2x9s n GLY 9 Ca -0.11 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2x9s n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 10 N -1.50 1.18 0.13 1.61 1.02 -0.75 -5.18 119.74 116.26 2x9s s LYS 10 Ca 0.00 -1.29 0.08 0.00 0.02 0.00 0.00 55.97 54.78 2x9s s LYS 10 Cb 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 2x9s s LYS 10 CO 0.00 -0.42 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.22 2x9s s GLN 11 N -4.01 1.94 0.07 1.68 -0.21 -1.26 0.11 119.66 117.98 2x9s s GLN 11 Ca 0.22 -1.17 -0.06 0.00 0.02 0.00 0.00 55.36 54.37 2x9s s GLN 11 Cb 0.04 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 2x9s s GLN 11 CO 0.03 0.47 0.12 0.71 -2.12 0.00 0.00 175.29 174.51 2x9s s TYR 12 N -1.32 0.26 -0.76 0.91 2.02 0.15 -4.96 117.35 113.66 2x9s s TYR 12 Ca 0.21 -0.73 -0.09 0.00 -0.37 0.00 0.00 57.07 56.09 2x9s s TYR 12 Cb -0.10 -0.16 0.20 0.00 -0.40 0.00 0.00 41.96 41.49 2x9s s TYR 12 CO 0.12 -0.49 0.64 0.50 -1.57 0.00 0.00 175.55 174.76 2x9s s ARG 13 N -3.83 3.17 0.55 -0.62 3.52 -1.26 -1.11 118.95 119.36 2x9s s ARG 13 Ca 0.05 -2.56 -0.07 0.00 -0.13 0.00 0.00 55.73 53.02 2x9s s ARG 13 Cb 0.06 -4.11 -0.02 0.00 -1.56 0.00 0.00 34.95 29.31 2x9s s ARG 13 CO -0.10 -1.24 0.88 0.14 -0.81 0.00 0.00 175.30 174.16 2x9s s VAL 14 N -0.07 4.40 0.31 7.11 -7.23 -0.93 -5.01 120.40 118.99 2x9s s VAL 14 Ca 0.18 0.26 -0.04 0.00 -1.81 0.00 0.00 61.98 60.57 2x9s s VAL 14 Cb -0.14 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 2x9s s VAL 14 CO -0.07 -0.76 0.43 -1.61 -0.31 0.00 0.00 175.10 172.78 2x9s s GLU 15 N -4.92 1.75 0.00 4.82 2.02 -1.26 -4.18 118.70 116.92 2x9s s GLU 15 Ca 0.51 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2x9s s GLU 15 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2x9s s GLU 15 CO 0.47 -0.71 0.00 -2.30 0.02 0.00 0.00 175.26 172.74 2x9s n PRO 16 N -0.49 0.00 -3.33 0.39 -0.02 -1.26 -4.30 135.00 125.99 2x9s n PRO 16 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 2x9s n PRO 16 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.08 2x9s n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2x9s s GLY 17 N -2.55 -0.89 0.00 -1.23 0.00 -1.23 -3.35 107.32 98.07 2x9s s GLY 17 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 44.72 46.70 2x9s s GLY 17 CO 0.00 3.24 0.00 1.47 0.00 0.00 0.00 173.10 177.81 2x9s n LEU 18 N 5.43 0.00 -0.63 0.66 -0.00 -1.26 -4.90 117.00 116.31 2x9s n LEU 18 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2x9s n LEU 18 Cb 0.50 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 2x9s n LEU 18 CO 0.01 -0.18 0.00 1.17 -0.00 0.00 0.00 177.39 178.39 2x9s n LYS 19 N -1.64 0.00 0.00 1.47 3.00 -1.26 -4.68 118.16 115.05 2x9s n LYS 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2x9s n LYS 19 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 35.03 34.56 2x9s n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2x9s n LEU 20 N -2.51 0.00 -4.90 3.14 4.32 -1.26 -4.74 117.00 111.04 2x9s n LEU 20 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 2x9s n LEU 20 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2x9s n LEU 20 CO 0.00 0.00 0.51 -0.13 -1.22 0.00 0.00 177.39 176.55 2x9s s ARG 21 N 2.58 3.35 0.00 3.23 3.00 -1.26 -3.01 118.95 126.84 2x9s s ARG 21 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 55.73 55.95 2x9s s ARG 21 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 34.95 32.65 2x9s s ARG 21 CO 0.00 -0.42 0.00 1.33 0.00 0.00 0.00 175.30 176.21 2x9s n VAL 22 N -2.44 0.00 0.00 3.52 0.24 -1.12 -4.93 118.33 113.60 2x9s n VAL 22 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2x9s n VAL 22 Cb 0.56 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 2x9s n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2x9s n GLU 23 N 0.00 0.00 -1.19 7.34 -0.58 -1.26 -4.30 120.64 120.65 2x9s n GLU 23 Ca 0.00 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.27 2x9s n GLU 23 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2x9s n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2x9s n LYS 24 N -0.15 0.00 -5.04 3.49 0.00 -1.25 -4.30 118.16 110.92 2x9s n LYS 24 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.03 2x9s n LYS 24 Cb 0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 35.03 33.73 2x9s n LYS 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2x9s s LEU 25 N 0.61 2.00 -1.18 3.14 1.43 -1.26 -4.99 118.68 118.44 2x9s s LEU 25 Ca 0.72 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 2x9s s LEU 25 Cb -1.01 -1.13 0.10 0.00 0.03 0.00 0.00 46.19 44.17 2x9s s LEU 25 CO 0.48 0.22 1.54 -0.62 0.23 0.00 0.00 176.35 178.21 2x9s s ASP 26 N -0.21 6.80 -0.18 2.29 2.15 -1.26 -4.88 116.67 121.38 2x9s s ASP 26 Ca 0.01 -2.33 -0.12 0.00 0.43 0.00 0.00 52.55 50.54 2x9s s ASP 26 Cb -0.11 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 40.05 2x9s s ASP 26 CO 0.02 -1.13 0.45 0.00 -0.17 0.00 0.00 175.17 174.34 2x9s s ALA 27 N 3.60 -1.16 0.07 3.66 0.00 -1.26 -5.13 121.76 121.54 2x9s s ALA 27 Ca 0.47 1.54 -0.37 0.00 0.00 0.00 0.00 51.96 53.61 2x9s s ALA 27 Cb 0.01 -0.92 -0.18 0.00 0.00 0.00 0.00 23.12 22.02 2x9s s ALA 27 CO 0.01 -0.26 1.12 0.39 0.00 0.00 0.00 175.76 177.02 2x9s n GLU 28 N 3.82 0.54 -0.50 0.00 -0.58 -1.26 -4.75 120.64 117.92 2x9s n GLU 28 Ca -0.20 0.20 0.43 0.00 -0.42 0.00 0.00 57.16 57.17 2x9s n GLU 28 Cb 0.56 -1.70 0.70 0.00 -0.57 0.00 0.00 31.44 30.43 2x9s n GLU 28 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2x9s h PRO 29 N 3.38 0.00 0.00 3.49 0.13 -1.95 0.27 132.00 137.32 2x9s h PRO 29 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2x9s h PRO 29 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2x9s h PRO 29 CO 0.69 0.00 -0.60 0.41 -0.23 0.00 0.00 178.00 178.27 2x9s n GLY 30 N -1.84 -0.12 0.33 1.56 0.00 -1.25 -2.61 105.19 101.26 2x9s n GLY 30 Ca 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2x9s n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s n ALA 31 N -1.31 -0.33 -3.60 4.61 0.00 0.96 -4.65 120.51 116.19 2x9s n ALA 31 Ca 0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 2x9s n ALA 31 Cb 0.19 -0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.47 2x9s n ALA 31 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2x9s s THR 32 N -0.73 0.26 0.08 0.00 -1.32 -1.26 -2.65 115.64 110.02 2x9s s THR 32 Ca 0.04 0.02 0.08 0.00 -1.21 0.00 0.00 61.69 60.62 2x9s s THR 32 Cb -0.01 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 2x9s s THR 32 CO 0.04 0.15 -0.22 0.68 -2.21 0.00 0.00 174.62 173.05 2x9s s VAL 33 N 0.87 1.83 -0.16 5.08 -7.23 0.47 -4.96 120.40 116.30 2x9s s VAL 33 Ca -0.09 -1.46 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2x9s s VAL 33 Cb -0.13 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2x9s s VAL 33 CO -0.01 0.09 0.01 -0.70 -0.31 0.00 0.00 175.10 174.17 2x9s s GLU 34 N -1.65 3.73 -1.12 4.82 2.12 -1.26 -0.72 118.70 124.62 2x9s s GLU 34 Ca 0.08 -0.44 -0.06 0.00 0.36 0.00 0.00 54.97 54.92 2x9s s GLU 34 Cb -0.10 -3.03 0.28 0.00 0.26 0.00 0.00 34.13 31.55 2x9s s GLU 34 CO 0.04 0.30 1.53 1.28 -0.54 0.00 0.00 175.26 177.87 2x9s n LEU 35 N 3.39 6.39 0.10 2.70 4.32 0.60 -4.77 117.00 129.74 2x9s n LEU 35 Ca -0.17 -5.09 0.18 0.00 -0.02 0.00 0.00 56.01 50.91 2x9s n LEU 35 Cb 0.52 -1.33 0.73 0.00 -1.62 0.00 0.00 43.42 41.72 2x9s n LEU 35 CO 0.33 1.60 1.16 1.55 -1.22 0.00 0.00 177.39 180.81 2x9s h PRO 36 N 5.61 0.00 -6.28 3.23 0.13 -1.87 -3.20 132.00 129.61 2x9s h PRO 36 Ca 0.24 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.72 2x9s h PRO 36 Cb 0.64 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.80 2x9s h PRO 36 CO 1.36 0.00 0.93 0.28 -0.23 0.00 0.00 178.00 180.35 2x9s n VAL 37 N -4.18 0.35 -3.29 1.56 0.31 -1.26 -4.73 118.33 107.09 2x9s n VAL 37 Ca 0.06 -0.06 0.03 0.00 -0.01 0.00 0.00 64.34 64.35 2x9s n VAL 37 Cb 0.46 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.81 2x9s n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2x9s s LEU 38 N 3.02 -0.51 -0.07 7.52 0.20 -1.26 -3.94 118.68 123.65 2x9s s LEU 38 Ca 0.91 0.56 0.02 0.00 0.69 0.00 0.00 54.13 56.31 2x9s s LEU 38 Cb -0.81 1.52 0.01 0.00 -0.43 0.00 0.00 46.19 46.49 2x9s s LEU 38 CO 0.52 -0.10 -0.13 -1.48 -0.29 0.00 0.00 176.35 174.87 2x9s s LEU 39 N 2.56 1.70 0.14 -0.68 -0.00 -0.83 -2.32 118.68 119.25 2x9s s LEU 39 Ca -0.01 -0.32 0.00 0.00 -0.00 0.00 0.00 54.13 53.80 2x9s s LEU 39 Cb -0.07 -0.88 0.00 0.00 -0.00 0.00 0.00 46.19 45.24 2x9s s LEU 39 CO -0.16 0.05 0.00 -0.11 -0.00 0.00 0.00 176.35 176.13 2x9s n LEU 40 N 3.76 -3.62 -4.62 1.48 -0.00 -1.26 -3.65 117.00 109.08 2x9s n LEU 40 Ca -0.22 1.19 -0.29 0.00 -0.00 0.00 0.00 56.01 56.69 2x9s n LEU 40 Cb 0.52 -0.55 -0.08 0.00 -0.00 0.00 0.00 43.42 43.31 2x9s n LEU 40 CO 0.26 -0.25 -0.21 -0.83 -0.00 0.00 0.00 177.39 176.36 2x9s s GLY 41 N -1.33 2.85 0.00 -3.96 0.00 -1.26 -2.53 107.32 101.09 2x9s s GLY 41 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2x9s s GLY 41 CO 0.00 -1.98 0.47 0.61 0.00 0.00 0.00 173.10 172.20 2x9s n GLY 42 N -1.08 -3.37 3.50 0.20 0.00 -1.26 -3.95 105.19 99.24 2x9s n GLY 42 Ca -0.12 0.60 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 2x9s n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x9s s GLU 43 N -0.94 3.63 0.00 1.61 0.41 -1.26 -4.76 118.70 117.38 2x9s s GLU 43 Ca 0.00 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.05 2x9s s GLU 43 Cb 0.00 -5.14 0.00 0.00 -1.78 0.00 0.00 34.13 27.21 2x9s s GLU 43 CO 0.00 -1.98 0.00 1.63 -0.49 0.00 0.00 175.26 174.42 2x9s n LYS 44 N 7.63 -0.12 -0.01 1.61 5.02 -1.25 -4.92 118.16 126.11 2x9s n LYS 44 Ca 0.29 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.83 2x9s n LYS 44 Cb 0.50 -0.32 -0.01 0.00 -0.02 0.00 0.00 35.03 35.18 2x9s n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2x9s n THR 45 N 0.84 0.12 -1.42 -0.18 -1.04 -1.26 -4.98 114.28 106.36 2x9s n THR 45 Ca 0.00 -0.03 0.18 0.00 -2.04 0.00 0.00 64.05 62.16 2x9s n THR 45 Cb 0.15 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.06 2x9s n THR 45 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2x9s n VAL 46 N -3.09 -0.15 -3.71 12.58 0.31 -1.26 -4.72 118.33 118.29 2x9s n VAL 46 Ca -0.04 0.54 -0.38 0.00 -0.01 0.00 0.00 64.34 64.45 2x9s n VAL 46 Cb 0.53 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.33 2x9s n VAL 46 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2x9s s VAL 47 N -3.46 3.68 0.43 2.52 -7.23 -1.26 -4.46 120.40 110.62 2x9s s VAL 47 Ca 0.00 -1.72 0.30 0.00 -1.81 0.00 0.00 61.98 58.75 2x9s s VAL 47 Cb 0.00 -3.37 0.47 0.00 0.56 0.00 0.00 36.38 34.05 2x9s s VAL 47 CO 0.00 -0.57 1.58 0.61 -0.31 0.00 0.00 175.10 176.41 2x9s n GLY 48 N 4.75 -0.83 0.00 2.32 0.00 -1.26 -4.30 105.19 105.87 2x9s n GLY 48 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2x9s n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2x9s n THR 49 N -4.85 0.00 0.42 2.61 -1.04 -1.26 -5.03 114.28 105.13 2x9s n THR 49 Ca 0.40 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.54 2x9s n THR 49 Cb 1.52 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 70.48 2x9s n THR 49 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2x9s h PRO 50 N 0.00 0.00 -3.07 -2.82 0.11 -1.99 -3.45 132.00 120.78 2x9s h PRO 50 Ca 0.00 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.89 2x9s h PRO 50 Cb 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 30.80 2x9s h PRO 50 CO 0.00 0.00 -0.53 0.08 -0.21 0.00 0.00 178.00 177.34 2x9s s VAL 51 N -3.30 -0.09 -0.05 3.15 1.01 -1.26 -4.48 120.40 115.38 2x9s s VAL 51 Ca 0.06 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2x9s s VAL 51 Cb 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 2x9s s VAL 51 CO 0.53 0.07 1.73 0.68 0.00 0.00 0.00 175.10 178.11 2x9s s VAL 52 N 1.41 3.46 0.00 2.92 -7.23 -0.98 -4.87 120.40 115.11 2x9s s VAL 52 Ca -0.08 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 2x9s s VAL 52 Cb -0.11 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.46 2x9s s VAL 52 CO -0.08 -0.06 0.79 1.21 -0.31 0.00 0.00 175.10 176.65 2x9s n GLU 53 N 7.28 0.00 -1.00 4.82 2.13 -1.26 -3.53 120.64 129.08 2x9s n GLU 53 Ca 0.18 0.49 -0.31 0.00 0.66 0.00 0.00 57.16 58.18 2x9s n GLU 53 Cb 0.43 -1.29 -0.03 0.00 0.27 0.00 0.00 31.44 30.82 2x9s n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x9s n GLY 54 N -0.87 3.24 3.47 8.31 0.00 -1.26 -4.80 105.19 113.27 2x9s n GLY 54 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2x9s n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s s ALA 55 N 3.63 -1.73 0.00 4.61 0.00 -1.23 -4.54 121.76 122.50 2x9s s ALA 55 Ca 0.49 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2x9s s ALA 55 Cb 0.13 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2x9s s ALA 55 CO -0.00 -0.70 0.00 0.45 0.00 0.00 0.00 175.76 175.51 2x9s n SER 56 N -0.23 0.00 -4.39 0.00 2.88 -0.45 -4.80 113.62 106.63 2x9s n SER 56 Ca -0.13 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.07 2x9s n SER 56 Cb 0.63 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.95 2x9s n SER 56 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2x9s s VAL 57 N -1.77 3.49 0.04 2.46 0.11 -1.21 -2.21 120.40 121.30 2x9s s VAL 57 Ca 0.00 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 2x9s s VAL 57 Cb 0.00 -2.54 -0.06 0.00 -1.53 0.00 0.00 36.38 32.25 2x9s s VAL 57 CO 0.00 0.47 0.55 -0.69 -3.33 0.00 0.00 175.10 172.10 2x9s s VAL 58 N 0.86 4.84 -0.00 2.04 1.01 0.18 -0.29 120.40 129.04 2x9s s VAL 58 Ca -0.01 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.09 2x9s s VAL 58 Cb -0.15 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2x9s s VAL 58 CO 0.01 0.51 0.07 0.00 0.00 0.00 0.00 175.10 175.70 2x9s s ALA 59 N -0.79 -0.15 -0.20 5.51 0.00 0.10 0.98 121.76 127.20 2x9s s ALA 59 Ca 0.29 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 2x9s s ALA 59 Cb -0.19 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2x9s s ALA 59 CO 0.17 -0.14 0.02 -2.00 0.00 0.00 0.00 175.76 173.81 2x9s s GLU 60 N -0.95 3.69 -0.32 0.00 2.12 -0.18 -0.40 118.70 122.66 2x9s s GLU 60 Ca -0.10 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 2x9s s GLU 60 Cb -0.06 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2x9s s GLU 60 CO 0.00 0.05 1.36 0.54 -0.54 0.00 0.00 175.26 176.68 2x9s s VAL 61 N 0.91 4.03 -0.99 3.70 0.11 -1.08 -0.47 120.40 126.60 2x9s s VAL 61 Ca 0.02 1.14 0.28 0.00 -2.93 0.00 0.00 61.98 60.48 2x9s s VAL 61 Cb -0.14 -4.13 0.16 0.00 -1.53 0.00 0.00 36.38 30.75 2x9s s VAL 61 CO 0.02 -0.53 1.75 0.18 -3.33 0.00 0.00 175.10 173.19 2x9s n LEU 62 N 8.03 0.19 0.00 2.54 7.99 0.18 -3.77 117.00 132.16 2x9s n LEU 62 Ca 0.16 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 2x9s n LEU 62 Cb 0.47 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 2x9s n LEU 62 CO 0.65 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 177.17 2x9s n GLY 63 N 1.49 3.33 3.87 -0.72 0.00 -1.07 -4.84 105.19 107.25 2x9s n GLY 63 Ca 0.06 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 2x9s n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x9s s HIS 64 N -2.00 2.94 0.11 1.61 3.76 -1.26 -0.06 115.29 120.39 2x9s s HIS 64 Ca 0.00 -0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 54.37 2x9s s HIS 64 Cb 0.00 -1.80 0.08 0.00 1.11 0.00 0.00 32.58 31.97 2x9s s HIS 64 CO 0.00 0.18 1.07 0.20 -0.85 0.00 0.00 174.74 175.33 2x9s s GLY 65 N -4.01 -0.20 -0.14 -2.22 0.00 -0.76 -4.92 107.32 95.07 2x9s s GLY 65 Ca 0.41 0.16 -0.00 0.00 0.00 0.00 0.00 44.72 45.29 2x9s s GLY 65 CO 0.27 0.70 -0.12 0.50 0.00 0.00 0.00 173.10 174.44 2x9s s ARG 66 N -2.81 3.39 0.98 2.90 0.52 -1.26 -0.10 118.95 122.56 2x9s s ARG 66 Ca 0.15 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.56 2x9s s ARG 66 Cb -0.00 -2.66 0.18 0.00 0.52 0.00 0.00 34.95 32.98 2x9s s ARG 66 CO 0.01 0.18 1.09 0.20 0.02 0.00 0.00 175.30 176.80 2x9s s GLY 67 N 0.43 1.58 0.74 -3.53 0.00 0.11 -4.93 107.32 101.73 2x9s s GLY 67 Ca -0.09 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 2x9s s GLY 67 CO 0.05 0.36 0.99 1.17 0.00 0.00 0.00 173.10 175.66 2x9s n LYS 68 N -4.15 0.43 -2.64 2.90 3.00 -1.26 -4.31 118.16 112.14 2x9s n LYS 68 Ca 0.06 0.21 -0.41 0.00 -0.00 0.00 0.00 58.31 58.16 2x9s n LYS 68 Cb 0.56 -2.25 -0.04 0.00 0.00 0.00 0.00 35.03 33.30 2x9s n LYS 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2x9s s LYS 69 N -3.47 4.67 -0.10 1.64 2.20 -1.26 -4.49 119.74 118.93 2x9s s LYS 69 Ca 0.73 1.57 0.02 0.00 -0.36 0.00 0.00 55.97 57.93 2x9s s LYS 69 Cb -0.33 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2x9s s LYS 69 CO 0.51 0.18 -0.17 0.42 -0.36 0.00 0.00 175.35 175.92 2x9s s ILE 70 N -0.19 2.71 -0.60 5.43 1.01 0.47 -4.95 121.20 125.07 2x9s s ILE 70 Ca 0.48 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 2x9s s ILE 70 Cb -0.26 -2.08 0.09 0.00 0.01 0.00 0.00 42.46 40.21 2x9s s ILE 70 CO 0.32 0.55 0.78 -0.76 0.00 0.00 0.00 174.94 175.83 2x9s s LEU 71 N 0.05 5.02 -0.62 2.97 1.43 -1.26 -0.76 118.68 125.51 2x9s s LEU 71 Ca -0.07 -1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 51.52 2x9s s LEU 71 Cb -0.15 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.74 2x9s s LEU 71 CO 0.05 -1.20 1.23 -0.69 0.23 0.00 0.00 176.35 175.97 2x9s s VAL 72 N 3.12 3.93 -0.06 -1.59 1.01 0.24 -4.91 120.40 122.15 2x9s s VAL 72 Ca 0.15 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2x9s s VAL 72 Cb -0.21 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 2x9s s VAL 72 CO 0.08 -1.45 -0.10 -0.55 0.00 0.00 0.00 175.10 173.08 2x9s s SER 73 N 3.23 4.39 -0.05 3.32 0.15 -1.26 -0.73 113.70 122.74 2x9s s SER 73 Ca 0.42 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 57.01 2x9s s SER 73 Cb -0.08 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2x9s s SER 73 CO 0.23 0.35 -0.16 -0.54 1.20 0.00 0.00 173.24 174.32 2x9s s LYS 74 N -0.77 1.82 -0.11 5.44 1.02 -0.37 -5.00 119.74 121.77 2x9s s LYS 74 Ca 0.12 -0.57 -0.07 0.00 0.02 0.00 0.00 55.97 55.46 2x9s s LYS 74 Cb -0.11 -1.54 0.04 0.00 -0.52 0.00 0.00 37.83 35.70 2x9s s LYS 74 CO 0.01 0.19 0.28 0.12 -0.92 0.00 0.00 175.35 175.02 2x9s s PHE 75 N 0.20 -0.35 -0.11 3.18 2.19 -1.26 -0.77 117.98 121.06 2x9s s PHE 75 Ca -0.07 0.82 0.03 0.00 0.33 0.00 0.00 56.93 58.04 2x9s s PHE 75 Cb -0.13 0.10 0.01 0.00 -1.31 0.00 0.00 43.02 41.69 2x9s s PHE 75 CO 0.03 -0.21 -0.19 0.15 1.83 0.00 0.00 175.22 176.83 2x9s s LYS 76 N 0.82 2.65 0.84 10.12 1.02 0.94 -5.00 119.74 131.12 2x9s s LYS 76 Ca -0.06 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 2x9s s LYS 76 Cb -0.07 -2.13 0.10 0.00 -0.52 0.00 0.00 37.83 35.21 2x9s s LYS 76 CO -0.05 0.02 1.15 0.00 -0.92 0.00 0.00 175.35 175.55 2x9s s ALA 77 N 0.75 1.80 -0.75 5.17 0.00 -1.26 -3.72 121.76 123.74 2x9s s ALA 77 Ca -0.10 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 2x9s s ALA 77 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2x9s s ALA 77 CO 0.01 -2.33 0.15 1.63 0.00 0.00 0.00 175.76 175.22 2x9s n LYS 78 N -3.70 -0.82 -0.00 0.00 5.02 -1.26 -4.60 118.16 112.80 2x9s n LYS 78 Ca 0.12 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2x9s n LYS 78 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2x9s n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2x9s n VAL 79 N -3.00 0.00 -3.94 -0.18 3.14 -1.25 -5.03 118.33 108.06 2x9s n VAL 79 Ca -0.13 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.91 2x9s n VAL 79 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 2x9s n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2x9s n GLN 80 N 0.00 -1.48 -3.87 1.45 1.13 -1.26 -4.96 117.38 108.38 2x9s n GLN 80 Ca 0.00 0.29 -0.29 0.00 -1.94 0.00 0.00 57.00 55.07 2x9s n GLN 80 Cb 0.32 -3.73 -0.16 0.00 0.11 0.00 0.00 30.24 26.78 2x9s n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x9s s TYR 81 N -3.73 1.74 0.05 1.08 6.14 -1.24 -5.04 117.35 116.34 2x9s s TYR 81 Ca 0.29 -1.20 0.01 0.00 0.64 0.00 0.00 57.07 56.82 2x9s s TYR 81 Cb -0.13 -1.32 -0.03 0.00 0.42 0.00 0.00 41.96 40.90 2x9s s TYR 81 CO 0.92 -0.65 -0.06 1.03 0.64 0.00 0.00 175.55 177.42 2x9s s ARG 82 N 1.62 0.59 -0.27 4.97 3.00 -1.26 -0.04 118.95 127.55 2x9s s ARG 82 Ca -0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 55.73 54.65 2x9s s ARG 82 Cb -0.16 -0.16 0.09 0.00 0.00 0.00 0.00 34.95 34.72 2x9s s ARG 82 CO -0.07 0.00 0.63 1.03 0.00 0.00 0.00 175.30 176.89 2x9s s ARG 83 N -2.40 0.61 -0.15 3.54 1.81 0.05 -4.97 118.95 117.44 2x9s s ARG 83 Ca -0.03 1.25 -0.01 0.00 -1.72 0.00 0.00 55.73 55.21 2x9s s ARG 83 Cb -0.04 0.38 -0.01 0.00 -0.45 0.00 0.00 34.95 34.82 2x9s s ARG 83 CO -0.02 -0.17 -0.10 0.21 -0.68 0.00 0.00 175.30 174.53 2x9s s LYS 84 N 2.09 3.42 -0.05 3.54 2.20 -1.26 -1.24 119.74 128.44 2x9s s LYS 84 Ca -0.08 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2x9s s LYS 84 Cb -0.08 -2.75 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2x9s s LYS 84 CO -0.18 0.12 -0.08 0.21 -0.36 0.00 0.00 175.35 175.06 2x9s s LYS 85 N 0.60 1.24 -0.25 4.03 2.47 0.09 -5.01 119.74 122.91 2x9s s LYS 85 Ca -0.06 -0.26 -0.10 0.00 -1.56 0.00 0.00 55.97 53.99 2x9s s LYS 85 Cb -0.15 -1.10 -0.04 0.00 -1.46 0.00 0.00 37.83 35.07 2x9s s LYS 85 CO 0.03 -0.02 0.14 0.20 0.16 0.00 0.00 175.35 175.86 2x9s s GLY 86 N 0.75 1.91 0.01 5.54 0.00 -1.26 0.83 107.32 115.10 2x9s s GLY 86 Ca -0.13 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 43.67 2x9s s GLY 86 CO 0.02 0.48 -0.21 -1.58 0.00 0.00 0.00 173.10 171.81 2x9s s HIS 87 N 1.35 2.48 -0.26 1.90 2.46 0.06 -4.96 115.29 118.32 2x9s s HIS 87 Ca 0.07 -0.31 -0.03 0.00 0.47 0.00 0.00 55.06 55.25 2x9s s HIS 87 Cb -0.15 -1.48 0.10 0.00 -0.13 0.00 0.00 32.58 30.92 2x9s s HIS 87 CO 0.06 0.15 0.18 1.03 -2.47 0.00 0.00 174.74 173.70 2x9s s ARG 88 N -1.10 0.20 -0.17 2.88 0.52 -1.26 -0.40 118.95 119.62 2x9s s ARG 88 Ca 0.12 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 54.81 2x9s s ARG 88 Cb -0.10 -1.15 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 2x9s s ARG 88 CO 0.02 -0.90 1.40 -0.65 0.02 0.00 0.00 175.30 175.20 2x9s s GLN 89 N 2.21 4.11 0.45 3.54 -1.52 -1.26 -4.53 119.66 122.66 2x9s s GLN 89 Ca 0.08 1.72 -0.22 0.00 -1.95 0.00 0.00 55.36 54.98 2x9s s GLN 89 Cb -0.15 -3.87 -0.08 0.00 -0.22 0.00 0.00 33.01 28.69 2x9s s GLN 89 CO -0.27 -0.88 1.10 -1.25 -0.25 0.00 0.00 175.29 173.74 2x9s s PRO 90 N 3.88 3.86 0.05 2.91 0.04 -1.26 0.07 135.00 144.55 2x9s s PRO 90 Ca 0.61 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2x9s s PRO 90 Cb -0.24 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.95 2x9s s PRO 90 CO 0.21 -0.42 0.06 2.48 0.04 0.00 0.00 177.00 179.37 2x9s n TYR 91 N -0.52 -0.35 -3.74 0.56 0.18 0.86 -3.78 117.16 110.37 2x9s n TYR 91 Ca 0.07 -0.40 -0.12 0.00 1.88 0.00 0.00 57.90 59.33 2x9s n TYR 91 Cb 0.50 0.06 -0.11 0.00 -0.38 0.00 0.00 39.34 39.41 2x9s n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2x9s s THR 92 N -2.34 -0.01 -0.17 -3.48 -4.23 -1.26 -1.83 115.64 102.31 2x9s s THR 92 Ca 0.05 0.04 -0.18 0.00 -1.18 0.00 0.00 61.69 60.43 2x9s s THR 92 Cb 0.00 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 2x9s s THR 92 CO 0.04 0.02 0.47 -1.61 -0.54 0.00 0.00 174.62 173.00 2x9s s GLU 93 N 0.56 4.23 0.26 3.99 0.41 0.91 -2.78 118.70 126.28 2x9s s GLU 93 Ca -0.03 0.37 0.10 0.00 -0.41 0.00 0.00 54.97 55.00 2x9s s GLU 93 Cb -0.05 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.75 2x9s s GLU 93 CO -0.03 -0.02 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.15 2x9s s LEU 94 N 1.22 3.04 -0.28 1.80 1.43 -1.16 0.48 118.68 125.20 2x9s s LEU 94 Ca 0.23 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2x9s s LEU 94 Cb -0.15 -1.58 0.09 0.00 0.03 0.00 0.00 46.19 44.58 2x9s s LEU 94 CO 0.09 0.02 0.07 -0.22 0.23 0.00 0.00 176.35 176.54 2x9s s LEU 95 N -3.54 2.13 0.23 1.79 1.98 0.38 -4.15 118.68 117.49 2x9s s LEU 95 Ca 0.30 -1.45 -0.32 0.00 -2.89 0.00 0.00 54.13 49.78 2x9s s LEU 95 Cb -0.06 -0.86 -0.13 0.00 0.66 0.00 0.00 46.19 45.80 2x9s s LEU 95 CO 0.18 -0.38 1.60 -0.38 -1.89 0.00 0.00 176.35 175.49 2x9s n ILE 96 N 4.85 0.47 -0.04 6.68 2.08 -1.26 -1.01 119.36 131.12 2x9s n ILE 96 Ca -0.04 -0.12 -0.04 0.00 0.56 0.00 0.00 62.75 63.11 2x9s n ILE 96 Cb 0.43 -1.79 -0.01 0.00 -0.75 0.00 0.00 39.64 37.52 2x9s n ILE 96 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2x9s n LYS 97 N 2.97 0.24 -3.82 0.38 4.76 0.27 -3.53 118.16 119.44 2x9s n LYS 97 Ca 0.13 0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2x9s n LYS 97 Cb 0.33 -0.92 -0.09 0.00 -1.84 0.00 0.00 35.03 32.51 2x9s n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2x9s s GLU 98 N -1.87 0.57 -0.91 1.97 -1.05 -1.19 -4.68 118.70 111.55 2x9s s GLU 98 Ca -0.13 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2x9s s GLU 98 Cb 0.02 0.25 0.30 0.00 -0.44 0.00 0.00 34.13 34.25 2x9s s GLU 98 CO 0.20 -0.15 1.31 0.44 0.95 0.00 0.00 175.26 178.00 2x9s n ILE 99 N 1.35 4.50 -2.31 1.83 -0.00 -1.26 -0.64 119.36 122.83 2x9s n ILE 99 Ca -0.22 -5.74 -0.43 0.00 -0.00 0.00 0.00 62.75 56.36 2x9s n ILE 99 Cb 0.56 -1.91 -0.02 0.00 -0.00 0.00 0.00 39.64 38.26 2x9s n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2x9s s ARG 100 N -3.09 3.83 0.00 6.28 1.70 -0.94 -4.90 118.95 121.83 2x9s s ARG 100 Ca 0.37 1.35 0.00 0.00 -0.47 0.00 0.00 55.73 56.97 2x9s s ARG 100 Cb 0.13 -3.95 0.00 0.00 -0.57 0.00 0.00 34.95 30.56 2x9s s ARG 100 CO 0.01 -1.24 0.08 0.41 -1.08 0.00 0.00 175.30 173.48